USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=11 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 -5:sc= 0.8 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -58:sc= 0.475 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -45:sc= -0.708 USER MOD Single : A 13 TYR OH : rot 43:sc= 0.544 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.083) 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+ 141:sc= 0.633 (180deg=0.0153) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0574 (180deg=-0.29) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 7.031 1.552 2.048 1.00 0.00 N ATOM 19 CA SER A 3 8.479 1.724 2.059 1.00 0.00 C ATOM 20 C SER A 3 9.100 1.026 3.265 1.00 0.00 C ATOM 21 O SER A 3 8.530 1.022 4.356 1.00 0.00 O ATOM 22 CB SER A 3 8.837 3.212 2.076 1.00 0.00 C ATOM 23 OG SER A 3 7.680 4.013 2.248 1.00 0.00 O ATOM 0 HA SER A 3 8.881 1.271 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.543 3.410 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.334 3.480 1.144 1.00 0.00 H new ATOM 0 HG SER A 3 6.883 3.443 2.235 1.00 0.00 H new ATOM 29 N LYS A 4 10.272 0.436 3.060 1.00 0.00 N ATOM 30 CA LYS A 4 10.973 -0.266 4.129 1.00 0.00 C ATOM 31 C LYS A 4 12.386 -0.644 3.695 1.00 0.00 C ATOM 32 O LYS A 4 12.680 -0.723 2.502 1.00 0.00 O ATOM 33 CB LYS A 4 10.200 -1.522 4.536 1.00 0.00 C ATOM 34 CG LYS A 4 10.210 -1.784 6.032 1.00 0.00 C ATOM 35 CD LYS A 4 10.636 -3.209 6.345 1.00 0.00 C ATOM 36 CE LYS A 4 9.436 -4.136 6.460 1.00 0.00 C ATOM 37 NZ LYS A 4 9.202 -4.569 7.866 1.00 0.00 N ATOM 0 H LYS A 4 10.757 0.430 2.163 1.00 0.00 H new ATOM 0 HA LYS A 4 11.041 0.404 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.168 -1.428 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.626 -2.383 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.889 -1.085 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.216 -1.602 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.303 -3.571 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.200 -3.225 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.548 -3.629 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.593 -5.013 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.376 -5.199 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.040 -5.076 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.027 -3.735 8.462 1.00 0.00 H new ATOM 51 N LEU A 5 13.257 -0.878 4.671 1.00 0.00 N ATOM 52 CA LEU A 5 14.639 -1.250 4.391 1.00 0.00 C ATOM 53 C LEU A 5 14.778 -2.762 4.249 1.00 0.00 C ATOM 54 O LEU A 5 14.007 -3.525 4.833 1.00 0.00 O ATOM 55 CB LEU A 5 15.560 -0.744 5.503 1.00 0.00 C ATOM 56 CG LEU A 5 16.315 0.553 5.211 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.862 1.153 6.497 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.439 0.303 4.217 1.00 0.00 C ATOM 0 H LEU A 5 13.030 -0.817 5.664 1.00 0.00 H new ATOM 0 HA LEU A 5 14.930 -0.787 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.963 -0.599 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.289 -1.523 5.726 1.00 0.00 H new ATOM 0 HG LEU A 5 15.618 1.265 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.396 2.075 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.038 1.369 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.544 0.445 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.966 1.237 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.135 -0.426 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.023 -0.081 3.286 1.00 0.00 H new ATOM 70 N CYS A 6 15.766 -3.190 3.471 1.00 0.00 N ATOM 71 CA CYS A 6 16.009 -4.611 3.253 1.00 0.00 C ATOM 72 C CYS A 6 17.404 -5.004 3.728 1.00 0.00 C ATOM 73 O CYS A 6 18.366 -4.259 3.543 1.00 0.00 O ATOM 74 CB CYS A 6 15.847 -4.955 1.771 1.00 0.00 C ATOM 75 SG CYS A 6 14.123 -5.240 1.257 1.00 0.00 S ATOM 0 H CYS A 6 16.412 -2.572 2.980 1.00 0.00 H new ATOM 0 HA CYS A 6 15.276 -5.173 3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.264 -4.144 1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.433 -5.847 1.550 1.00 0.00 H new ATOM 80 N GLU A 7 17.505 -6.179 4.342 1.00 0.00 N ATOM 81 CA GLU A 7 18.782 -6.670 4.844 1.00 0.00 C ATOM 82 C GLU A 7 19.068 -8.075 4.322 1.00 0.00 C ATOM 83 O GLU A 7 18.180 -8.927 4.277 1.00 0.00 O ATOM 84 CB GLU A 7 18.787 -6.673 6.375 1.00 0.00 C ATOM 85 CG GLU A 7 17.664 -7.494 6.985 1.00 0.00 C ATOM 86 CD GLU A 7 17.716 -7.518 8.501 1.00 0.00 C ATOM 87 OE1 GLU A 7 18.087 -6.486 9.098 1.00 0.00 O ATOM 88 OE2 GLU A 7 17.384 -8.568 9.089 1.00 0.00 O ATOM 0 H GLU A 7 16.718 -6.808 4.503 1.00 0.00 H new ATOM 0 HA GLU A 7 19.565 -6.001 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.743 -7.062 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.711 -5.646 6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.705 -7.086 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.719 -8.515 6.607 1.00 0.00 H new ATOM 95 N LYS A 8 20.315 -8.311 3.926 1.00 0.00 N ATOM 96 CA LYS A 8 20.721 -9.611 3.407 1.00 0.00 C ATOM 97 C LYS A 8 21.810 -10.229 4.278 1.00 0.00 C ATOM 98 O LYS A 8 22.681 -9.527 4.793 1.00 0.00 O ATOM 99 CB LYS A 8 21.220 -9.475 1.967 1.00 0.00 C ATOM 100 CG LYS A 8 20.213 -8.828 1.033 1.00 0.00 C ATOM 101 CD LYS A 8 19.241 -9.850 0.466 1.00 0.00 C ATOM 102 CE LYS A 8 18.014 -9.180 -0.132 1.00 0.00 C ATOM 103 NZ LYS A 8 18.097 -9.096 -1.617 1.00 0.00 N ATOM 0 H LYS A 8 21.062 -7.617 3.955 1.00 0.00 H new ATOM 0 HA LYS A 8 19.852 -10.268 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.137 -8.886 1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.475 -10.464 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.660 -8.058 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.739 -8.332 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.741 -10.444 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.934 -10.538 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.121 -9.738 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.909 -8.178 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.242 -8.633 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.935 -8.542 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.172 -10.054 -2.015 1.00 0.00 H new ATOM 117 N THR A 9 21.756 -11.548 4.439 1.00 0.00 N ATOM 118 CA THR A 9 22.738 -12.260 5.247 1.00 0.00 C ATOM 119 C THR A 9 23.482 -13.300 4.418 1.00 0.00 C ATOM 120 O THR A 9 23.407 -14.497 4.695 1.00 0.00 O ATOM 121 CB THR A 9 22.076 -12.956 6.451 1.00 0.00 C ATOM 122 OG1 THR A 9 20.743 -13.355 6.114 1.00 0.00 O ATOM 123 CG2 THR A 9 22.045 -12.034 7.660 1.00 0.00 C ATOM 0 H THR A 9 21.042 -12.144 4.020 1.00 0.00 H new ATOM 0 HA THR A 9 23.447 -11.516 5.612 1.00 0.00 H new ATOM 0 HB THR A 9 22.666 -13.837 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.330 -13.798 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 9 21.573 -12.548 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.063 -11.756 7.932 1.00 0.00 H new ATOM 0 HG23 THR A 9 21.476 -11.136 7.418 1.00 0.00 H new ATOM 131 N SER A 10 24.200 -12.836 3.400 1.00 0.00 N ATOM 132 CA SER A 10 24.956 -13.728 2.529 1.00 0.00 C ATOM 133 C SER A 10 24.067 -14.848 1.995 1.00 0.00 C ATOM 134 O SER A 10 24.525 -15.970 1.777 1.00 0.00 O ATOM 135 CB SER A 10 26.148 -14.323 3.281 1.00 0.00 C ATOM 136 OG SER A 10 26.819 -15.290 2.492 1.00 0.00 O ATOM 0 H SER A 10 24.274 -11.848 3.158 1.00 0.00 H new ATOM 0 HA SER A 10 25.323 -13.144 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.842 -13.528 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.805 -14.781 4.209 1.00 0.00 H new ATOM 0 HG SER A 10 26.193 -16.002 2.244 1.00 0.00 H new ATOM 142 N LYS A 11 22.793 -14.534 1.786 1.00 0.00 N ATOM 143 CA LYS A 11 21.838 -15.511 1.277 1.00 0.00 C ATOM 144 C LYS A 11 22.202 -15.939 -0.141 1.00 0.00 C ATOM 145 O LYS A 11 21.813 -17.016 -0.595 1.00 0.00 O ATOM 146 CB LYS A 11 20.422 -14.930 1.298 1.00 0.00 C ATOM 147 CG LYS A 11 20.115 -14.121 2.546 1.00 0.00 C ATOM 148 CD LYS A 11 18.755 -14.478 3.121 1.00 0.00 C ATOM 149 CE LYS A 11 17.695 -13.466 2.713 1.00 0.00 C ATOM 150 NZ LYS A 11 16.516 -14.122 2.082 1.00 0.00 N ATOM 0 H LYS A 11 22.398 -13.610 1.961 1.00 0.00 H new ATOM 0 HA LYS A 11 21.874 -16.388 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.285 -14.296 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.703 -15.745 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 11 20.886 -14.300 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.143 -13.058 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.463 -15.471 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.818 -14.522 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.372 -12.905 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.127 -12.748 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.816 -13.399 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.819 -14.637 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.088 -14.789 2.756 1.00 0.00 H new ATOM 164 N THR A 12 22.951 -15.090 -0.838 1.00 0.00 N ATOM 165 CA THR A 12 23.367 -15.381 -2.204 1.00 0.00 C ATOM 166 C THR A 12 24.886 -15.354 -2.333 1.00 0.00 C ATOM 167 O THR A 12 25.458 -16.035 -3.185 1.00 0.00 O ATOM 168 CB THR A 12 22.761 -14.377 -3.202 1.00 0.00 C ATOM 169 OG1 THR A 12 23.451 -13.125 -3.119 1.00 0.00 O ATOM 170 CG2 THR A 12 21.280 -14.165 -2.924 1.00 0.00 C ATOM 0 H THR A 12 23.282 -14.195 -0.478 1.00 0.00 H new ATOM 0 HA THR A 12 23.002 -16.381 -2.439 1.00 0.00 H new ATOM 0 HB THR A 12 22.872 -14.786 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.571 -12.880 -2.178 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.874 -13.452 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.753 -15.114 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.151 -13.777 -1.914 1.00 0.00 H new ATOM 178 N TYR A 13 25.534 -14.565 -1.483 1.00 0.00 N ATOM 179 CA TYR A 13 26.987 -14.449 -1.504 1.00 0.00 C ATOM 180 C TYR A 13 27.644 -15.826 -1.487 1.00 0.00 C ATOM 181 O TYR A 13 28.128 -16.307 -2.511 1.00 0.00 O ATOM 182 CB TYR A 13 27.471 -13.626 -0.308 1.00 0.00 C ATOM 183 CG TYR A 13 28.963 -13.384 -0.304 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.830 -14.281 0.307 1.00 0.00 C ATOM 185 CD2 TYR A 13 29.506 -12.259 -0.912 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.195 -14.064 0.314 1.00 0.00 C ATOM 187 CE2 TYR A 13 30.869 -12.034 -0.912 1.00 0.00 C ATOM 188 CZ TYR A 13 31.709 -12.939 -0.297 1.00 0.00 C ATOM 189 OH TYR A 13 33.068 -12.720 -0.293 1.00 0.00 O ATOM 0 H TYR A 13 25.076 -13.996 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 13 27.272 -13.942 -2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 13 26.956 -12.666 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.192 -14.139 0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.431 -15.163 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 13 28.851 -11.548 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.855 -14.771 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.274 -11.155 -1.391 1.00 0.00 H new ATOM 0 HH TYR A 13 33.535 -13.559 -0.491 1.00 0.00 H new ATOM 199 N SER A 14 27.656 -16.454 -0.316 1.00 0.00 N ATOM 200 CA SER A 14 28.256 -17.774 -0.163 1.00 0.00 C ATOM 201 C SER A 14 29.746 -17.735 -0.488 1.00 0.00 C ATOM 202 O SER A 14 30.235 -16.784 -1.096 1.00 0.00 O ATOM 203 CB SER A 14 27.551 -18.786 -1.069 1.00 0.00 C ATOM 204 OG SER A 14 27.016 -19.860 -0.314 1.00 0.00 O ATOM 0 H SER A 14 27.257 -16.070 0.541 1.00 0.00 H new ATOM 0 HA SER A 14 28.137 -18.082 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.751 -18.291 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.255 -19.171 -1.807 1.00 0.00 H new ATOM 0 HG SER A 14 26.569 -20.492 -0.915 1.00 0.00 H new ATOM 210 N GLY A 15 30.463 -18.777 -0.079 1.00 0.00 N ATOM 211 CA GLY A 15 31.890 -18.843 -0.335 1.00 0.00 C ATOM 212 C GLY A 15 32.687 -17.945 0.590 1.00 0.00 C ATOM 213 O GLY A 15 32.126 -17.293 1.471 1.00 0.00 O ATOM 0 H GLY A 15 30.081 -19.577 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 15 32.230 -19.872 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.084 -18.558 -1.369 1.00 0.00 H new ATOM 217 N LYS A 16 34.000 -17.910 0.391 1.00 0.00 N ATOM 218 CA LYS A 16 34.877 -17.086 1.214 1.00 0.00 C ATOM 219 C LYS A 16 34.371 -15.648 1.278 1.00 0.00 C ATOM 220 O LYS A 16 34.052 -15.045 0.253 1.00 0.00 O ATOM 221 CB LYS A 16 36.303 -17.111 0.659 1.00 0.00 C ATOM 222 CG LYS A 16 36.420 -16.541 -0.745 1.00 0.00 C ATOM 223 CD LYS A 16 37.296 -17.413 -1.629 1.00 0.00 C ATOM 224 CE LYS A 16 37.241 -16.966 -3.082 1.00 0.00 C ATOM 225 NZ LYS A 16 38.228 -17.696 -3.924 1.00 0.00 N ATOM 0 H LYS A 16 34.481 -18.443 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 16 34.879 -17.498 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.954 -16.546 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.665 -18.139 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.428 -16.454 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.837 -15.535 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.326 -17.374 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 16 36.972 -18.451 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 16 36.237 -17.129 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.436 -15.895 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 38.159 -17.363 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.188 -17.520 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 38.027 -18.716 -3.889 1.00 0.00 H new ATOM 239 N CYS A 17 34.300 -15.104 2.488 1.00 0.00 N ATOM 240 CA CYS A 17 33.833 -13.737 2.686 1.00 0.00 C ATOM 241 C CYS A 17 35.007 -12.763 2.732 1.00 0.00 C ATOM 242 O CYS A 17 36.065 -13.075 3.278 1.00 0.00 O ATOM 243 CB CYS A 17 33.022 -13.636 3.979 1.00 0.00 C ATOM 244 SG CYS A 17 32.285 -11.995 4.268 1.00 0.00 S ATOM 0 H CYS A 17 34.560 -15.589 3.347 1.00 0.00 H new ATOM 0 HA CYS A 17 33.195 -13.471 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 17 32.226 -14.381 3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 17 33.668 -13.886 4.821 1.00 0.00 H new ATOM 249 N ASP A 18 34.812 -11.583 2.155 1.00 0.00 N ATOM 250 CA ASP A 18 35.853 -10.562 2.130 1.00 0.00 C ATOM 251 C ASP A 18 35.279 -9.192 2.479 1.00 0.00 C ATOM 252 O ASP A 18 34.160 -9.086 2.980 1.00 0.00 O ATOM 253 CB ASP A 18 36.518 -10.515 0.754 1.00 0.00 C ATOM 254 CG ASP A 18 38.031 -10.569 0.841 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.549 -11.269 1.736 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.697 -9.912 0.013 1.00 0.00 O ATOM 0 H ASP A 18 33.942 -11.309 1.698 1.00 0.00 H new ATOM 0 HA ASP A 18 36.602 -10.823 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.161 -11.351 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.219 -9.602 0.240 1.00 0.00 H new ATOM 261 N ASN A 19 36.053 -8.146 2.210 1.00 0.00 N ATOM 262 CA ASN A 19 35.623 -6.782 2.497 1.00 0.00 C ATOM 263 C ASN A 19 34.950 -6.157 1.279 1.00 0.00 C ATOM 264 O ASN A 19 33.725 -6.053 1.217 1.00 0.00 O ATOM 265 CB ASN A 19 36.816 -5.928 2.929 1.00 0.00 C ATOM 266 CG ASN A 19 36.480 -4.450 2.984 1.00 0.00 C ATOM 267 OD1 ASN A 19 37.092 -3.637 2.292 1.00 0.00 O ATOM 268 ND2 ASN A 19 35.503 -4.097 3.812 1.00 0.00 N ATOM 0 H ASN A 19 36.981 -8.217 1.794 1.00 0.00 H new ATOM 0 HA ASN A 19 34.899 -6.820 3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.158 -6.257 3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 19 37.642 -6.084 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.233 -3.117 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 19 35.023 -4.806 4.366 1.00 0.00 H new ATOM 275 N LYS A 20 35.760 -5.741 0.311 1.00 0.00 N ATOM 276 CA LYS A 20 35.245 -5.127 -0.908 1.00 0.00 C ATOM 277 C LYS A 20 34.420 -6.126 -1.713 1.00 0.00 C ATOM 278 O LYS A 20 33.422 -5.763 -2.336 1.00 0.00 O ATOM 279 CB LYS A 20 36.398 -4.595 -1.762 1.00 0.00 C ATOM 280 CG LYS A 20 35.992 -3.469 -2.697 1.00 0.00 C ATOM 281 CD LYS A 20 36.242 -3.834 -4.150 1.00 0.00 C ATOM 282 CE LYS A 20 35.256 -3.139 -5.077 1.00 0.00 C ATOM 283 NZ LYS A 20 35.435 -1.660 -5.069 1.00 0.00 N ATOM 0 H LYS A 20 36.776 -5.818 0.347 1.00 0.00 H new ATOM 0 HA LYS A 20 34.600 -4.296 -0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.193 -4.242 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.811 -5.414 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.936 -3.240 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.550 -2.567 -2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.260 -3.557 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 20 36.161 -4.914 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 20 35.385 -3.515 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 34.238 -3.383 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.745 -1.223 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.287 -1.298 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.398 -1.425 -5.383 1.00 0.00 H new ATOM 297 N LYS A 21 34.842 -7.386 -1.695 1.00 0.00 N ATOM 298 CA LYS A 21 34.141 -8.438 -2.422 1.00 0.00 C ATOM 299 C LYS A 21 32.703 -8.574 -1.931 1.00 0.00 C ATOM 300 O LYS A 21 31.779 -8.751 -2.725 1.00 0.00 O ATOM 301 CB LYS A 21 34.874 -9.772 -2.261 1.00 0.00 C ATOM 302 CG LYS A 21 36.261 -9.782 -2.881 1.00 0.00 C ATOM 303 CD LYS A 21 36.210 -9.457 -4.365 1.00 0.00 C ATOM 304 CE LYS A 21 36.474 -7.981 -4.621 1.00 0.00 C ATOM 305 NZ LYS A 21 37.666 -7.773 -5.489 1.00 0.00 N ATOM 0 H LYS A 21 35.666 -7.703 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 21 34.122 -8.165 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.958 -10.005 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.276 -10.563 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.894 -9.057 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.718 -10.761 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.949 -10.057 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.233 -9.728 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.599 -7.532 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.623 -7.469 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.812 -6.754 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.506 -8.179 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.514 -8.240 -6.406 1.00 0.00 H new ATOM 319 N CYS A 22 32.521 -8.488 -0.617 1.00 0.00 N ATOM 320 CA CYS A 22 31.196 -8.600 -0.019 1.00 0.00 C ATOM 321 C CYS A 22 30.282 -7.480 -0.509 1.00 0.00 C ATOM 322 O CYS A 22 29.178 -7.732 -0.991 1.00 0.00 O ATOM 323 CB CYS A 22 31.297 -8.560 1.507 1.00 0.00 C ATOM 324 SG CYS A 22 30.712 -10.077 2.330 1.00 0.00 S ATOM 0 H CYS A 22 33.275 -8.341 0.054 1.00 0.00 H new ATOM 0 HA CYS A 22 30.767 -9.555 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.336 -8.385 1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.719 -7.713 1.877 1.00 0.00 H new ATOM 329 N ASP A 23 30.751 -6.244 -0.381 1.00 0.00 N ATOM 330 CA ASP A 23 29.977 -5.085 -0.811 1.00 0.00 C ATOM 331 C ASP A 23 29.579 -5.211 -2.279 1.00 0.00 C ATOM 332 O ASP A 23 28.401 -5.120 -2.623 1.00 0.00 O ATOM 333 CB ASP A 23 30.780 -3.801 -0.597 1.00 0.00 C ATOM 334 CG ASP A 23 29.891 -2.587 -0.407 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.656 -2.736 -0.506 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.432 -1.489 -0.159 1.00 0.00 O ATOM 0 H ASP A 23 31.663 -6.019 0.017 1.00 0.00 H new ATOM 0 HA ASP A 23 29.069 -5.042 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.421 -3.918 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.434 -3.638 -1.453 1.00 0.00 H new ATOM 341 N LYS A 24 30.569 -5.420 -3.139 1.00 0.00 N ATOM 342 CA LYS A 24 30.324 -5.560 -4.570 1.00 0.00 C ATOM 343 C LYS A 24 29.401 -6.741 -4.851 1.00 0.00 C ATOM 344 O LYS A 24 28.432 -6.621 -5.601 1.00 0.00 O ATOM 345 CB LYS A 24 31.646 -5.741 -5.319 1.00 0.00 C ATOM 346 CG LYS A 24 31.470 -6.127 -6.778 1.00 0.00 C ATOM 347 CD LYS A 24 32.809 -6.305 -7.473 1.00 0.00 C ATOM 348 CE LYS A 24 32.743 -7.386 -8.541 1.00 0.00 C ATOM 349 NZ LYS A 24 32.775 -6.811 -9.915 1.00 0.00 N ATOM 0 H LYS A 24 31.550 -5.496 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 24 29.837 -4.650 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.216 -4.813 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.236 -6.508 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.899 -7.053 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.892 -5.359 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.113 -5.362 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.570 -6.565 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.580 -8.073 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.831 -7.969 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.356 -7.415 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.807 -6.761 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.184 -5.855 -9.882 1.00 0.00 H new ATOM 363 N LYS A 25 29.707 -7.883 -4.243 1.00 0.00 N ATOM 364 CA LYS A 25 28.904 -9.086 -4.425 1.00 0.00 C ATOM 365 C LYS A 25 27.469 -8.858 -3.963 1.00 0.00 C ATOM 366 O LYS A 25 26.534 -9.467 -4.483 1.00 0.00 O ATOM 367 CB LYS A 25 29.520 -10.256 -3.654 1.00 0.00 C ATOM 368 CG LYS A 25 28.897 -11.600 -3.990 1.00 0.00 C ATOM 369 CD LYS A 25 29.943 -12.701 -4.044 1.00 0.00 C ATOM 370 CE LYS A 25 30.241 -13.118 -5.476 1.00 0.00 C ATOM 371 NZ LYS A 25 31.561 -13.796 -5.594 1.00 0.00 N ATOM 0 H LYS A 25 30.506 -8.000 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 25 28.890 -9.326 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.589 -10.297 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.413 -10.072 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.143 -11.849 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.386 -11.535 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.860 -12.357 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.593 -13.564 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 25 29.457 -13.787 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.225 -12.239 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 31.726 -14.064 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 32.313 -13.149 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 31.568 -14.649 -4.999 1.00 0.00 H new ATOM 385 N CYS A 26 27.301 -7.975 -2.984 1.00 0.00 N ATOM 386 CA CYS A 26 25.979 -7.664 -2.452 1.00 0.00 C ATOM 387 C CYS A 26 25.133 -6.934 -3.491 1.00 0.00 C ATOM 388 O CYS A 26 23.989 -7.310 -3.750 1.00 0.00 O ATOM 389 CB CYS A 26 26.103 -6.812 -1.188 1.00 0.00 C ATOM 390 SG CYS A 26 26.396 -7.774 0.331 1.00 0.00 S ATOM 0 H CYS A 26 28.064 -7.462 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 26 25.485 -8.603 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.920 -6.103 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.191 -6.228 -1.065 1.00 0.00 H new ATOM 395 N ILE A 27 25.703 -5.889 -4.081 1.00 0.00 N ATOM 396 CA ILE A 27 25.001 -5.107 -5.092 1.00 0.00 C ATOM 397 C ILE A 27 24.985 -5.831 -6.434 1.00 0.00 C ATOM 398 O ILE A 27 24.197 -5.500 -7.319 1.00 0.00 O ATOM 399 CB ILE A 27 25.645 -3.720 -5.277 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.890 -3.062 -3.918 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.762 -2.838 -6.147 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.344 -2.730 -3.661 1.00 0.00 C ATOM 0 H ILE A 27 26.648 -5.564 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 27 23.978 -4.980 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 27 26.605 -3.845 -5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.300 -2.148 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.533 -3.727 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.230 -1.861 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.634 -3.303 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.788 -2.717 -5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.443 -2.266 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.937 -3.644 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.700 -2.040 -4.426 1.00 0.00 H new ATOM 414 N GLU A 28 25.860 -6.822 -6.576 1.00 0.00 N ATOM 415 CA GLU A 28 25.945 -7.593 -7.811 1.00 0.00 C ATOM 416 C GLU A 28 24.899 -8.704 -7.831 1.00 0.00 C ATOM 417 O GLU A 28 24.241 -8.933 -8.846 1.00 0.00 O ATOM 418 CB GLU A 28 27.344 -8.192 -7.969 1.00 0.00 C ATOM 419 CG GLU A 28 28.367 -7.212 -8.520 1.00 0.00 C ATOM 420 CD GLU A 28 28.776 -7.536 -9.944 1.00 0.00 C ATOM 421 OE1 GLU A 28 27.956 -8.125 -10.678 1.00 0.00 O ATOM 422 OE2 GLU A 28 29.917 -7.199 -10.323 1.00 0.00 O ATOM 0 H GLU A 28 26.519 -7.109 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 28 25.750 -6.919 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.686 -8.555 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.288 -9.056 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.955 -6.204 -8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.251 -7.217 -7.882 1.00 0.00 H new ATOM 429 N TRP A 29 24.753 -9.392 -6.704 1.00 0.00 N ATOM 430 CA TRP A 29 23.788 -10.480 -6.592 1.00 0.00 C ATOM 431 C TRP A 29 22.553 -10.034 -5.817 1.00 0.00 C ATOM 432 O TRP A 29 21.426 -10.195 -6.284 1.00 0.00 O ATOM 433 CB TRP A 29 24.428 -11.687 -5.905 1.00 0.00 C ATOM 434 CG TRP A 29 25.342 -12.466 -6.803 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.427 -11.988 -7.480 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.249 -13.858 -7.122 1.00 0.00 C ATOM 437 NE1 TRP A 29 27.014 -13.000 -8.201 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.311 -14.157 -7.997 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.373 -14.882 -6.751 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.517 -15.436 -8.507 1.00 0.00 C ATOM 441 CZ3 TRP A 29 24.579 -16.151 -7.258 1.00 0.00 C ATOM 442 CH2 TRP A 29 25.644 -16.420 -8.127 1.00 0.00 C ATOM 0 H TRP A 29 25.290 -9.216 -5.855 1.00 0.00 H new ATOM 0 HA TRP A 29 23.479 -10.765 -7.598 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.989 -11.346 -5.035 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.642 -12.347 -5.538 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.773 -10.965 -7.453 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.840 -12.905 -8.792 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.550 -14.685 -6.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.337 -15.645 -9.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 23.907 -16.949 -6.979 1.00 0.00 H new ATOM 0 HH2 TRP A 29 25.779 -17.423 -8.505 1.00 0.00 H new ATOM 453 N GLU A 30 22.773 -9.474 -4.632 1.00 0.00 N ATOM 454 CA GLU A 30 21.676 -9.006 -3.793 1.00 0.00 C ATOM 455 C GLU A 30 21.242 -7.600 -4.199 1.00 0.00 C ATOM 456 O GLU A 30 20.309 -7.036 -3.626 1.00 0.00 O ATOM 457 CB GLU A 30 22.090 -9.018 -2.320 1.00 0.00 C ATOM 458 CG GLU A 30 22.380 -10.409 -1.781 1.00 0.00 C ATOM 459 CD GLU A 30 23.609 -10.446 -0.893 1.00 0.00 C ATOM 460 OE1 GLU A 30 24.724 -10.610 -1.432 1.00 0.00 O ATOM 461 OE2 GLU A 30 23.457 -10.311 0.338 1.00 0.00 O ATOM 0 H GLU A 30 23.700 -9.333 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 30 20.833 -9.682 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.977 -8.397 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.297 -8.565 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 30 21.517 -10.763 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.518 -11.096 -2.616 1.00 0.00 H new ATOM 468 N LYS A 31 21.926 -7.040 -5.191 1.00 0.00 N ATOM 469 CA LYS A 31 21.612 -5.701 -5.676 1.00 0.00 C ATOM 470 C LYS A 31 21.365 -4.745 -4.513 1.00 0.00 C ATOM 471 O LYS A 31 20.538 -3.839 -4.607 1.00 0.00 O ATOM 472 CB LYS A 31 20.384 -5.741 -6.587 1.00 0.00 C ATOM 473 CG LYS A 31 20.426 -6.856 -7.617 1.00 0.00 C ATOM 474 CD LYS A 31 21.730 -6.844 -8.398 1.00 0.00 C ATOM 475 CE LYS A 31 21.933 -5.523 -9.124 1.00 0.00 C ATOM 476 NZ LYS A 31 20.760 -5.169 -9.970 1.00 0.00 N ATOM 0 H LYS A 31 22.701 -7.493 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 31 22.467 -5.338 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.491 -5.858 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.293 -4.785 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.308 -7.818 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.587 -6.749 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.564 -7.019 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.731 -7.661 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.107 -4.731 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.825 -5.585 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.011 -4.380 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.483 -5.993 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.965 -4.887 -9.361 1.00 0.00 H new ATOM 490 N ALA A 32 22.089 -4.953 -3.418 1.00 0.00 N ATOM 491 CA ALA A 32 21.951 -4.107 -2.239 1.00 0.00 C ATOM 492 C ALA A 32 22.685 -2.783 -2.423 1.00 0.00 C ATOM 493 O ALA A 32 23.093 -2.439 -3.532 1.00 0.00 O ATOM 494 CB ALA A 32 22.468 -4.832 -1.005 1.00 0.00 C ATOM 0 H ALA A 32 22.777 -5.700 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 32 20.892 -3.889 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.359 -4.188 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.896 -5.748 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.520 -5.080 -1.143 1.00 0.00 H new ATOM 500 N GLN A 33 22.849 -2.045 -1.330 1.00 0.00 N ATOM 501 CA GLN A 33 23.533 -0.758 -1.373 1.00 0.00 C ATOM 502 C GLN A 33 24.880 -0.834 -0.663 1.00 0.00 C ATOM 503 O GLN A 33 25.897 -0.378 -1.187 1.00 0.00 O ATOM 504 CB GLN A 33 22.665 0.326 -0.732 1.00 0.00 C ATOM 505 CG GLN A 33 22.126 1.341 -1.727 1.00 0.00 C ATOM 506 CD GLN A 33 23.146 2.403 -2.088 1.00 0.00 C ATOM 507 OE1 GLN A 33 24.149 2.120 -2.744 1.00 0.00 O ATOM 508 NE2 GLN A 33 22.895 3.635 -1.659 1.00 0.00 N ATOM 0 H GLN A 33 22.518 -2.316 -0.404 1.00 0.00 H new ATOM 0 HA GLN A 33 23.708 -0.502 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.828 -0.147 -0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.250 0.848 0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.810 0.824 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.241 1.820 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.051 3.825 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.546 4.391 -1.870 1.00 0.00 H new ATOM 517 N HIS A 34 24.881 -1.412 0.534 1.00 0.00 N ATOM 518 CA HIS A 34 26.104 -1.547 1.317 1.00 0.00 C ATOM 519 C HIS A 34 26.310 -2.993 1.758 1.00 0.00 C ATOM 520 O HIS A 34 25.353 -3.756 1.886 1.00 0.00 O ATOM 521 CB HIS A 34 26.056 -0.631 2.540 1.00 0.00 C ATOM 522 CG HIS A 34 25.681 0.782 2.216 1.00 0.00 C ATOM 523 ND1 HIS A 34 26.457 1.604 1.426 1.00 0.00 N ATOM 524 CD2 HIS A 34 24.604 1.518 2.578 1.00 0.00 C ATOM 525 CE1 HIS A 34 25.875 2.785 1.318 1.00 0.00 C ATOM 526 NE2 HIS A 34 24.749 2.759 2.007 1.00 0.00 N ATOM 0 H HIS A 34 24.049 -1.794 0.983 1.00 0.00 H new ATOM 0 HA HIS A 34 26.944 -1.255 0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.340 -1.033 3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 34 27.031 -0.637 3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 34 23.784 1.191 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 34 26.256 3.628 0.761 1.00 0.00 H new ATOM 0 HE2 HIS A 34 24.093 3.535 2.100 1.00 0.00 H new ATOM 534 N GLY A 35 27.566 -3.364 1.988 1.00 0.00 N ATOM 535 CA GLY A 35 27.874 -4.718 2.411 1.00 0.00 C ATOM 536 C GLY A 35 28.798 -4.754 3.612 1.00 0.00 C ATOM 537 O GLY A 35 29.418 -3.748 3.957 1.00 0.00 O ATOM 0 H GLY A 35 28.375 -2.751 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.948 -5.239 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 28.336 -5.257 1.584 1.00 0.00 H new ATOM 541 N ALA A 36 28.889 -5.915 4.252 1.00 0.00 N ATOM 542 CA ALA A 36 29.744 -6.078 5.421 1.00 0.00 C ATOM 543 C ALA A 36 30.130 -7.540 5.619 1.00 0.00 C ATOM 544 O ALA A 36 29.492 -8.441 5.073 1.00 0.00 O ATOM 545 CB ALA A 36 29.047 -5.541 6.663 1.00 0.00 C ATOM 0 H ALA A 36 28.381 -6.757 3.980 1.00 0.00 H new ATOM 0 HA ALA A 36 30.658 -5.508 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 36 29.697 -5.669 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 28.827 -4.482 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.117 -6.087 6.823 1.00 0.00 H new ATOM 551 N CYS A 37 31.177 -7.769 6.404 1.00 0.00 N ATOM 552 CA CYS A 37 31.650 -9.122 6.674 1.00 0.00 C ATOM 553 C CYS A 37 31.919 -9.317 8.163 1.00 0.00 C ATOM 554 O CYS A 37 32.470 -8.437 8.826 1.00 0.00 O ATOM 555 CB CYS A 37 32.921 -9.410 5.873 1.00 0.00 C ATOM 556 SG CYS A 37 33.396 -11.168 5.839 1.00 0.00 S ATOM 0 H CYS A 37 31.715 -7.035 6.865 1.00 0.00 H new ATOM 0 HA CYS A 37 30.870 -9.820 6.369 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.779 -9.063 4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.742 -8.831 6.295 1.00 0.00 H new ATOM 561 N HIS A 38 31.526 -10.475 8.683 1.00 0.00 N ATOM 562 CA HIS A 38 31.725 -10.787 10.094 1.00 0.00 C ATOM 563 C HIS A 38 32.006 -12.274 10.288 1.00 0.00 C ATOM 564 O HIS A 38 31.240 -13.126 9.835 1.00 0.00 O ATOM 565 CB HIS A 38 30.496 -10.378 10.907 1.00 0.00 C ATOM 566 CG HIS A 38 30.822 -9.538 12.103 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.003 -9.653 12.804 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.113 -8.564 12.720 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.007 -8.787 13.802 1.00 0.00 C ATOM 570 NE2 HIS A 38 30.871 -8.114 13.773 1.00 0.00 N ATOM 0 H HIS A 38 31.068 -11.213 8.149 1.00 0.00 H new ATOM 0 HA HIS A 38 32.589 -10.223 10.447 1.00 0.00 H new ATOM 0 HB2 HIS A 38 29.811 -9.827 10.262 1.00 0.00 H new ATOM 0 HB3 HIS A 38 29.973 -11.276 11.236 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.134 -8.207 12.437 1.00 0.00 H new ATOM 0 HE1 HIS A 38 32.803 -8.652 14.519 1.00 0.00 H new ATOM 0 HE2 HIS A 38 30.601 -7.379 14.427 1.00 0.00 H new ATOM 578 N LYS A 39 33.109 -12.580 10.962 1.00 0.00 N ATOM 579 CA LYS A 39 33.492 -13.964 11.216 1.00 0.00 C ATOM 580 C LYS A 39 32.961 -14.436 12.566 1.00 0.00 C ATOM 581 O LYS A 39 33.134 -13.762 13.582 1.00 0.00 O ATOM 582 CB LYS A 39 35.015 -14.109 11.176 1.00 0.00 C ATOM 583 CG LYS A 39 35.486 -15.550 11.082 1.00 0.00 C ATOM 584 CD LYS A 39 35.739 -16.145 12.457 1.00 0.00 C ATOM 585 CE LYS A 39 37.013 -15.592 13.078 1.00 0.00 C ATOM 586 NZ LYS A 39 37.894 -16.676 13.594 1.00 0.00 N ATOM 0 H LYS A 39 33.754 -11.888 11.343 1.00 0.00 H new ATOM 0 HA LYS A 39 33.054 -14.585 10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.402 -13.552 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.439 -13.655 12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.737 -16.145 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.400 -15.597 10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.892 -15.930 13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.813 -17.230 12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.555 -15.006 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.756 -14.914 13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.751 -16.259 14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 37.386 -17.219 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 38.160 -17.308 12.812 1.00 0.00 H new ATOM 600 N ARG A 40 32.316 -15.598 12.570 1.00 0.00 N ATOM 601 CA ARG A 40 31.760 -16.160 13.795 1.00 0.00 C ATOM 602 C ARG A 40 31.521 -17.659 13.646 1.00 0.00 C ATOM 603 O ARG A 40 31.716 -18.224 12.570 1.00 0.00 O ATOM 604 CB ARG A 40 30.450 -15.457 14.155 1.00 0.00 C ATOM 605 CG ARG A 40 30.535 -14.625 15.425 1.00 0.00 C ATOM 606 CD ARG A 40 29.850 -15.320 16.592 1.00 0.00 C ATOM 607 NE ARG A 40 28.434 -15.560 16.331 1.00 0.00 N ATOM 608 CZ ARG A 40 27.594 -16.056 17.234 1.00 0.00 C ATOM 609 NH1 ARG A 40 28.027 -16.362 18.449 1.00 0.00 N ATOM 610 NH2 ARG A 40 26.319 -16.246 16.921 1.00 0.00 N ATOM 0 H ARG A 40 32.166 -16.169 11.738 1.00 0.00 H new ATOM 0 HA ARG A 40 32.481 -16.003 14.597 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.154 -14.812 13.327 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.666 -16.205 14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 40 31.581 -14.442 15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.072 -13.653 15.256 1.00 0.00 H new ATOM 0 HD2 ARG A 40 30.348 -16.269 16.792 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.955 -14.710 17.489 1.00 0.00 H new ATOM 0 HE ARG A 40 28.069 -15.335 15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.007 -16.217 18.693 1.00 0.00 H new ATOM 0 HH12 ARG A 40 27.380 -16.742 19.140 1.00 0.00 H new ATOM 0 HH21 ARG A 40 25.983 -16.011 15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.675 -16.627 17.614 1.00 0.00 H new ATOM 624 N GLU A 41 31.098 -18.297 14.733 1.00 0.00 N ATOM 625 CA GLU A 41 30.834 -19.731 14.722 1.00 0.00 C ATOM 626 C GLU A 41 32.000 -20.494 14.101 1.00 0.00 C ATOM 627 O GLU A 41 31.987 -20.807 12.911 1.00 0.00 O ATOM 628 CB GLU A 41 29.546 -20.029 13.952 1.00 0.00 C ATOM 629 CG GLU A 41 28.300 -19.449 14.601 1.00 0.00 C ATOM 630 CD GLU A 41 27.295 -18.943 13.584 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.916 -19.723 12.686 1.00 0.00 O ATOM 632 OE2 GLU A 41 26.888 -17.767 13.687 1.00 0.00 O ATOM 0 H GLU A 41 30.931 -17.844 15.631 1.00 0.00 H new ATOM 0 HA GLU A 41 30.716 -20.061 15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.637 -19.632 12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 41 29.429 -21.109 13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.830 -20.211 15.223 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.586 -18.631 15.262 1.00 0.00 H new ATOM 639 N ALA A 42 33.007 -20.791 14.916 1.00 0.00 N ATOM 640 CA ALA A 42 34.180 -21.518 14.447 1.00 0.00 C ATOM 641 C ALA A 42 34.921 -20.731 13.371 1.00 0.00 C ATOM 642 O ALA A 42 35.892 -20.033 13.657 1.00 0.00 O ATOM 643 CB ALA A 42 33.776 -22.887 13.919 1.00 0.00 C ATOM 0 H ALA A 42 33.034 -20.539 15.904 1.00 0.00 H new ATOM 0 HA ALA A 42 34.856 -21.651 15.292 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.662 -23.419 13.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 33.299 -23.458 14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 42 33.078 -22.766 13.091 1.00 0.00 H new ATOM 649 N GLY A 43 34.454 -20.850 12.131 1.00 0.00 N ATOM 650 CA GLY A 43 35.085 -20.144 11.031 1.00 0.00 C ATOM 651 C GLY A 43 34.101 -19.774 9.940 1.00 0.00 C ATOM 652 O GLY A 43 34.462 -19.705 8.765 1.00 0.00 O ATOM 0 H GLY A 43 33.651 -21.422 11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.561 -19.239 11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.874 -20.766 10.609 1.00 0.00 H new ATOM 656 N LYS A 44 32.853 -19.536 10.327 1.00 0.00 N ATOM 657 CA LYS A 44 31.812 -19.171 9.373 1.00 0.00 C ATOM 658 C LYS A 44 31.629 -17.657 9.321 1.00 0.00 C ATOM 659 O LYS A 44 31.177 -17.044 10.287 1.00 0.00 O ATOM 660 CB LYS A 44 30.489 -19.842 9.749 1.00 0.00 C ATOM 661 CG LYS A 44 30.592 -21.351 9.894 1.00 0.00 C ATOM 662 CD LYS A 44 29.649 -21.874 10.963 1.00 0.00 C ATOM 663 CE LYS A 44 30.332 -22.898 11.857 1.00 0.00 C ATOM 664 NZ LYS A 44 29.558 -24.167 11.939 1.00 0.00 N ATOM 0 H LYS A 44 32.537 -19.589 11.295 1.00 0.00 H new ATOM 0 HA LYS A 44 32.120 -19.517 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.130 -19.419 10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.744 -19.608 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.361 -21.826 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.617 -21.624 10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.288 -21.043 11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.777 -22.326 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 44 31.331 -23.106 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.455 -22.482 12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.057 -24.838 12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.614 -23.973 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.462 -24.577 10.988 1.00 0.00 H new ATOM 678 N GLU A 45 31.981 -17.062 8.185 1.00 0.00 N ATOM 679 CA GLU A 45 31.855 -15.620 8.008 1.00 0.00 C ATOM 680 C GLU A 45 30.547 -15.272 7.302 1.00 0.00 C ATOM 681 O GLU A 45 30.235 -15.819 6.245 1.00 0.00 O ATOM 682 CB GLU A 45 33.040 -15.076 7.208 1.00 0.00 C ATOM 683 CG GLU A 45 34.020 -14.271 8.044 1.00 0.00 C ATOM 684 CD GLU A 45 35.113 -13.633 7.208 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.504 -14.234 6.185 1.00 0.00 O ATOM 686 OE2 GLU A 45 35.577 -12.533 7.576 1.00 0.00 O ATOM 0 H GLU A 45 32.355 -17.556 7.375 1.00 0.00 H new ATOM 0 HA GLU A 45 31.850 -15.157 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.569 -15.910 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.664 -14.449 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.479 -13.493 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.473 -14.921 8.793 1.00 0.00 H new ATOM 693 N SER A 46 29.787 -14.357 7.896 1.00 0.00 N ATOM 694 CA SER A 46 28.511 -13.938 7.327 1.00 0.00 C ATOM 695 C SER A 46 28.633 -12.567 6.670 1.00 0.00 C ATOM 696 O SER A 46 29.428 -11.729 7.097 1.00 0.00 O ATOM 697 CB SER A 46 27.433 -13.902 8.412 1.00 0.00 C ATOM 698 OG SER A 46 27.891 -14.509 9.607 1.00 0.00 O ATOM 0 H SER A 46 30.032 -13.892 8.770 1.00 0.00 H new ATOM 0 HA SER A 46 28.226 -14.663 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.148 -12.869 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.540 -14.417 8.058 1.00 0.00 H new ATOM 0 HG SER A 46 27.184 -14.471 10.285 1.00 0.00 H new ATOM 704 N CYS A 47 27.840 -12.345 5.627 1.00 0.00 N ATOM 705 CA CYS A 47 27.858 -11.077 4.908 1.00 0.00 C ATOM 706 C CYS A 47 26.553 -10.315 5.117 1.00 0.00 C ATOM 707 O CYS A 47 25.479 -10.787 4.744 1.00 0.00 O ATOM 708 CB CYS A 47 28.088 -11.316 3.415 1.00 0.00 C ATOM 709 SG CYS A 47 28.625 -9.837 2.498 1.00 0.00 S ATOM 0 H CYS A 47 27.176 -13.028 5.261 1.00 0.00 H new ATOM 0 HA CYS A 47 28.677 -10.476 5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.839 -12.097 3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.165 -11.690 2.972 1.00 0.00 H new ATOM 714 N PHE A 48 26.654 -9.132 5.715 1.00 0.00 N ATOM 715 CA PHE A 48 25.482 -8.304 5.975 1.00 0.00 C ATOM 716 C PHE A 48 25.379 -7.172 4.957 1.00 0.00 C ATOM 717 O PHE A 48 26.329 -6.416 4.755 1.00 0.00 O ATOM 718 CB PHE A 48 25.542 -7.728 7.391 1.00 0.00 C ATOM 719 CG PHE A 48 24.628 -8.422 8.360 1.00 0.00 C ATOM 720 CD1 PHE A 48 23.271 -8.522 8.103 1.00 0.00 C ATOM 721 CD2 PHE A 48 25.127 -8.975 9.529 1.00 0.00 C ATOM 722 CE1 PHE A 48 22.428 -9.160 8.994 1.00 0.00 C ATOM 723 CE2 PHE A 48 24.289 -9.615 10.423 1.00 0.00 C ATOM 724 CZ PHE A 48 22.938 -9.708 10.154 1.00 0.00 C ATOM 0 H PHE A 48 27.535 -8.725 6.029 1.00 0.00 H new ATOM 0 HA PHE A 48 24.596 -8.933 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 48 26.566 -7.795 7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 48 25.284 -6.670 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 48 22.867 -8.097 7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.183 -8.905 9.744 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.371 -9.230 8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 48 24.690 -10.042 11.330 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.281 -10.209 10.850 1.00 0.00 H new ATOM 734 N CYS A 49 24.219 -7.063 4.318 1.00 0.00 N ATOM 735 CA CYS A 49 23.990 -6.025 3.320 1.00 0.00 C ATOM 736 C CYS A 49 22.722 -5.237 3.635 1.00 0.00 C ATOM 737 O CYS A 49 21.764 -5.778 4.188 1.00 0.00 O ATOM 738 CB CYS A 49 23.886 -6.644 1.925 1.00 0.00 C ATOM 739 SG CYS A 49 25.064 -8.000 1.622 1.00 0.00 S ATOM 0 H CYS A 49 23.423 -7.681 4.474 1.00 0.00 H new ATOM 0 HA CYS A 49 24.837 -5.340 3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.873 -7.019 1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.047 -5.864 1.181 1.00 0.00 H new ATOM 744 N TYR A 50 22.725 -3.957 3.280 1.00 0.00 N ATOM 745 CA TYR A 50 21.576 -3.094 3.527 1.00 0.00 C ATOM 746 C TYR A 50 21.211 -2.301 2.276 1.00 0.00 C ATOM 747 O TYR A 50 22.077 -1.724 1.618 1.00 0.00 O ATOM 748 CB TYR A 50 21.870 -2.136 4.683 1.00 0.00 C ATOM 749 CG TYR A 50 22.297 -2.834 5.954 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.542 -3.872 6.487 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.454 -2.456 6.624 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.927 -4.513 7.649 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.848 -3.092 7.785 1.00 0.00 C ATOM 754 CZ TYR A 50 23.081 -4.119 8.294 1.00 0.00 C ATOM 755 OH TYR A 50 23.469 -4.754 9.451 1.00 0.00 O ATOM 0 H TYR A 50 23.509 -3.494 2.821 1.00 0.00 H new ATOM 0 HA TYR A 50 20.730 -3.727 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.654 -1.442 4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.979 -1.541 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.638 -4.183 5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.056 -1.651 6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 50 21.328 -5.317 8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 50 24.752 -2.787 8.291 1.00 0.00 H new ATOM 0 HH TYR A 50 24.303 -4.357 9.778 1.00 0.00 H new ATOM 765 N PHE A 51 19.922 -2.278 1.953 1.00 0.00 N ATOM 766 CA PHE A 51 19.441 -1.557 0.780 1.00 0.00 C ATOM 767 C PHE A 51 18.012 -1.064 0.993 1.00 0.00 C ATOM 768 O PHE A 51 17.212 -1.718 1.663 1.00 0.00 O ATOM 769 CB PHE A 51 19.503 -2.455 -0.458 1.00 0.00 C ATOM 770 CG PHE A 51 18.713 -1.927 -1.621 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.041 -0.715 -2.207 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.641 -2.644 -2.129 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.315 -0.228 -3.276 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.911 -2.161 -3.199 1.00 0.00 C ATOM 775 CZ PHE A 51 17.249 -0.952 -3.774 1.00 0.00 C ATOM 0 H PHE A 51 19.192 -2.750 2.487 1.00 0.00 H new ATOM 0 HA PHE A 51 20.086 -0.692 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.544 -2.573 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.132 -3.446 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.874 -0.145 -1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.373 -3.591 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.581 0.719 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.077 -2.729 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.681 -0.573 -4.611 1.00 0.00 H new ATOM 785 N ASP A 52 17.700 0.092 0.419 1.00 0.00 N ATOM 786 CA ASP A 52 16.369 0.674 0.545 1.00 0.00 C ATOM 787 C ASP A 52 15.366 -0.072 -0.330 1.00 0.00 C ATOM 788 O ASP A 52 15.567 -0.220 -1.535 1.00 0.00 O ATOM 789 CB ASP A 52 16.397 2.154 0.162 1.00 0.00 C ATOM 790 CG ASP A 52 17.149 2.403 -1.131 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.382 2.587 -1.074 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.503 2.415 -2.200 1.00 0.00 O ATOM 0 H ASP A 52 18.351 0.645 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 52 16.056 0.583 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.375 2.520 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.862 2.726 0.965 1.00 0.00 H new ATOM 797 N CYS A 53 14.285 -0.539 0.286 1.00 0.00 N ATOM 798 CA CYS A 53 13.250 -1.270 -0.435 1.00 0.00 C ATOM 799 C CYS A 53 11.952 -0.470 -0.485 1.00 0.00 C ATOM 800 O CYS A 53 11.678 0.343 0.398 1.00 0.00 O ATOM 801 CB CYS A 53 13.000 -2.627 0.226 1.00 0.00 C ATOM 802 SG CYS A 53 13.984 -3.990 -0.477 1.00 0.00 S ATOM 0 H CYS A 53 14.103 -0.424 1.283 1.00 0.00 H new ATOM 0 HA CYS A 53 13.598 -1.429 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.219 -2.546 1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.942 -2.873 0.136 1.00 0.00 H new ATOM 807 N SER A 54 11.157 -0.706 -1.523 1.00 0.00 N ATOM 808 CA SER A 54 9.889 -0.004 -1.690 1.00 0.00 C ATOM 809 C SER A 54 10.070 1.498 -1.495 1.00 0.00 C ATOM 810 O SER A 54 9.210 2.170 -0.925 1.00 0.00 O ATOM 811 CB SER A 54 8.852 -0.538 -0.700 1.00 0.00 C ATOM 812 OG SER A 54 8.396 -1.824 -1.082 1.00 0.00 O ATOM 0 H SER A 54 11.368 -1.378 -2.261 1.00 0.00 H new ATOM 0 HA SER A 54 9.535 -0.180 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.288 -0.585 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.008 0.149 -0.647 1.00 0.00 H new ATOM 0 HG SER A 54 7.736 -2.143 -0.432 1.00 0.00 H new ATOM 818 N LYS A 55 11.194 2.019 -1.974 1.00 0.00 N ATOM 819 CA LYS A 55 11.490 3.442 -1.855 1.00 0.00 C ATOM 820 C LYS A 55 11.505 3.874 -0.392 1.00 0.00 C ATOM 821 O LYS A 55 10.800 4.805 -0.003 1.00 0.00 O ATOM 822 CB LYS A 55 10.458 4.265 -2.630 1.00 0.00 C ATOM 823 CG LYS A 55 10.703 4.290 -4.129 1.00 0.00 C ATOM 824 CD LYS A 55 10.064 3.097 -4.818 1.00 0.00 C ATOM 825 CE LYS A 55 8.564 3.286 -4.984 1.00 0.00 C ATOM 826 NZ LYS A 55 8.143 3.163 -6.407 1.00 0.00 N ATOM 0 H LYS A 55 11.916 1.477 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 55 12.479 3.619 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.464 3.859 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.463 5.287 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.301 5.212 -4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.776 4.292 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.524 2.951 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.256 2.195 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.036 2.545 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.277 4.267 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.114 3.298 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.627 3.886 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.393 2.218 -6.763 1.00 0.00 H new