USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 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 Set 1.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 33:sc= 0.308 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= 0.0023 (180deg=-0.387) USER MOD Single : A 10 SER OG : rot -66:sc= 0.246 USER MOD Single : A 12 THR OG1 : rot -69:sc= 1.98 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.712 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.051) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= -0.151 (180deg=-0.741) 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+ -178:sc= -1.35 (180deg=-1.41) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=-0.014) 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 7.147 1.800 2.157 1.00 0.00 N ATOM 19 CA SER A 3 8.545 2.172 2.339 1.00 0.00 C ATOM 20 C SER A 3 9.152 1.441 3.532 1.00 0.00 C ATOM 21 O SER A 3 8.645 1.526 4.651 1.00 0.00 O ATOM 22 CB SER A 3 8.670 3.684 2.535 1.00 0.00 C ATOM 23 OG SER A 3 7.845 4.387 1.622 1.00 0.00 O ATOM 0 HA SER A 3 9.092 1.882 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.393 3.946 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.708 3.987 2.399 1.00 0.00 H new ATOM 0 HG SER A 3 7.039 3.861 1.438 1.00 0.00 H new ATOM 29 N LYS A 4 10.241 0.722 3.286 1.00 0.00 N ATOM 30 CA LYS A 4 10.920 -0.025 4.339 1.00 0.00 C ATOM 31 C LYS A 4 12.340 -0.390 3.918 1.00 0.00 C ATOM 32 O LYS A 4 12.703 -0.266 2.747 1.00 0.00 O ATOM 33 CB LYS A 4 10.136 -1.294 4.679 1.00 0.00 C ATOM 34 CG LYS A 4 10.338 -1.769 6.108 1.00 0.00 C ATOM 35 CD LYS A 4 11.310 -2.934 6.176 1.00 0.00 C ATOM 36 CE LYS A 4 10.758 -4.073 7.020 1.00 0.00 C ATOM 37 NZ LYS A 4 10.121 -5.126 6.181 1.00 0.00 N ATOM 0 H LYS A 4 10.673 0.640 2.366 1.00 0.00 H new ATOM 0 HA LYS A 4 10.974 0.610 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.074 -1.111 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.433 -2.089 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.712 -0.946 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.379 -2.069 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.519 -3.294 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.257 -2.595 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.564 -4.514 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.027 -3.680 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.757 -5.884 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.336 -4.711 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.825 -5.519 5.524 1.00 0.00 H new ATOM 51 N LEU A 5 13.139 -0.840 4.879 1.00 0.00 N ATOM 52 CA LEU A 5 14.520 -1.225 4.607 1.00 0.00 C ATOM 53 C LEU A 5 14.683 -2.741 4.657 1.00 0.00 C ATOM 54 O LEU A 5 14.075 -3.414 5.490 1.00 0.00 O ATOM 55 CB LEU A 5 15.462 -0.566 5.617 1.00 0.00 C ATOM 56 CG LEU A 5 15.778 0.910 5.376 1.00 0.00 C ATOM 57 CD1 LEU A 5 14.916 1.793 6.264 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.255 1.185 5.619 1.00 0.00 C ATOM 0 H LEU A 5 12.855 -0.947 5.853 1.00 0.00 H new ATOM 0 HA LEU A 5 14.776 -0.884 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.024 -0.666 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.400 -1.121 5.625 1.00 0.00 H new ATOM 0 HG LEU A 5 15.551 1.145 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.155 2.840 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 5 13.864 1.616 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.110 1.557 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.462 2.240 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.507 0.933 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.854 0.579 4.940 1.00 0.00 H new ATOM 70 N CYS A 6 15.509 -3.272 3.762 1.00 0.00 N ATOM 71 CA CYS A 6 15.754 -4.708 3.704 1.00 0.00 C ATOM 72 C CYS A 6 17.238 -5.014 3.877 1.00 0.00 C ATOM 73 O CYS A 6 18.095 -4.255 3.426 1.00 0.00 O ATOM 74 CB CYS A 6 15.257 -5.278 2.374 1.00 0.00 C ATOM 75 SG CYS A 6 13.457 -5.134 2.129 1.00 0.00 S ATOM 0 H CYS A 6 16.020 -2.729 3.066 1.00 0.00 H new ATOM 0 HA CYS A 6 15.206 -5.178 4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.766 -4.765 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.538 -6.329 2.314 1.00 0.00 H new ATOM 80 N GLU A 7 17.534 -6.131 4.535 1.00 0.00 N ATOM 81 CA GLU A 7 18.915 -6.536 4.769 1.00 0.00 C ATOM 82 C GLU A 7 19.109 -8.016 4.450 1.00 0.00 C ATOM 83 O GLU A 7 18.269 -8.851 4.786 1.00 0.00 O ATOM 84 CB GLU A 7 19.312 -6.260 6.221 1.00 0.00 C ATOM 85 CG GLU A 7 18.500 -7.048 7.234 1.00 0.00 C ATOM 86 CD GLU A 7 18.906 -6.752 8.665 1.00 0.00 C ATOM 87 OE1 GLU A 7 20.120 -6.772 8.954 1.00 0.00 O ATOM 88 OE2 GLU A 7 18.008 -6.498 9.495 1.00 0.00 O ATOM 0 H GLU A 7 16.836 -6.771 4.915 1.00 0.00 H new ATOM 0 HA GLU A 7 19.555 -5.952 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.368 -6.497 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.196 -5.195 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.443 -6.817 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.619 -8.114 7.040 1.00 0.00 H new ATOM 95 N LYS A 8 20.222 -8.333 3.797 1.00 0.00 N ATOM 96 CA LYS A 8 20.529 -9.710 3.432 1.00 0.00 C ATOM 97 C LYS A 8 21.645 -10.270 4.308 1.00 0.00 C ATOM 98 O LYS A 8 22.491 -9.525 4.806 1.00 0.00 O ATOM 99 CB LYS A 8 20.934 -9.791 1.958 1.00 0.00 C ATOM 100 CG LYS A 8 19.761 -9.992 1.015 1.00 0.00 C ATOM 101 CD LYS A 8 18.718 -8.900 1.182 1.00 0.00 C ATOM 102 CE LYS A 8 17.555 -9.087 0.219 1.00 0.00 C ATOM 103 NZ LYS A 8 16.264 -8.645 0.815 1.00 0.00 N ATOM 0 H LYS A 8 20.927 -7.654 3.510 1.00 0.00 H new ATOM 0 HA LYS A 8 19.632 -10.309 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.458 -8.875 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.639 -10.612 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.118 -10.001 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.305 -10.964 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.347 -8.904 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.179 -7.927 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.745 -8.523 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.483 -10.137 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.515 -9.321 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.356 -8.602 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.018 -7.703 0.450 1.00 0.00 H new ATOM 117 N THR A 9 21.644 -11.587 4.492 1.00 0.00 N ATOM 118 CA THR A 9 22.656 -12.246 5.307 1.00 0.00 C ATOM 119 C THR A 9 23.426 -13.282 4.496 1.00 0.00 C ATOM 120 O THR A 9 23.408 -14.471 4.814 1.00 0.00 O ATOM 121 CB THR A 9 22.029 -12.933 6.534 1.00 0.00 C ATOM 122 OG1 THR A 9 20.902 -12.179 6.996 1.00 0.00 O ATOM 123 CG2 THR A 9 23.047 -13.072 7.656 1.00 0.00 C ATOM 0 H THR A 9 20.953 -12.218 4.087 1.00 0.00 H new ATOM 0 HA THR A 9 23.343 -11.471 5.646 1.00 0.00 H new ATOM 0 HB THR A 9 21.702 -13.929 6.237 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.508 -12.624 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.581 -13.560 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.889 -13.672 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.401 -12.084 7.950 1.00 0.00 H new ATOM 131 N SER A 10 24.103 -12.823 3.448 1.00 0.00 N ATOM 132 CA SER A 10 24.877 -13.712 2.590 1.00 0.00 C ATOM 133 C SER A 10 24.008 -14.848 2.059 1.00 0.00 C ATOM 134 O SER A 10 24.332 -16.024 2.228 1.00 0.00 O ATOM 135 CB SER A 10 26.072 -14.283 3.357 1.00 0.00 C ATOM 136 OG SER A 10 26.704 -15.315 2.620 1.00 0.00 O ATOM 0 H SER A 10 24.131 -11.841 3.173 1.00 0.00 H new ATOM 0 HA SER A 10 25.242 -13.132 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.789 -13.488 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.739 -14.671 4.320 1.00 0.00 H new ATOM 0 HG SER A 10 26.096 -16.079 2.540 1.00 0.00 H new ATOM 142 N LYS A 11 22.903 -14.488 1.417 1.00 0.00 N ATOM 143 CA LYS A 11 21.985 -15.475 0.859 1.00 0.00 C ATOM 144 C LYS A 11 22.610 -16.183 -0.339 1.00 0.00 C ATOM 145 O LYS A 11 22.195 -17.281 -0.711 1.00 0.00 O ATOM 146 CB LYS A 11 20.674 -14.805 0.442 1.00 0.00 C ATOM 147 CG LYS A 11 19.510 -15.121 1.365 1.00 0.00 C ATOM 148 CD LYS A 11 19.732 -14.558 2.758 1.00 0.00 C ATOM 149 CE LYS A 11 18.605 -13.623 3.168 1.00 0.00 C ATOM 150 NZ LYS A 11 18.247 -13.782 4.605 1.00 0.00 N ATOM 0 H LYS A 11 22.620 -13.519 1.270 1.00 0.00 H new ATOM 0 HA LYS A 11 21.777 -16.217 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.821 -13.725 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.420 -15.120 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.592 -14.709 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.376 -16.201 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.806 -15.376 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.680 -14.021 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.902 -12.591 2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.728 -13.819 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.475 -13.127 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.939 -14.760 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.077 -13.570 5.195 1.00 0.00 H new ATOM 164 N THR A 12 23.612 -15.548 -0.939 1.00 0.00 N ATOM 165 CA THR A 12 24.295 -16.116 -2.095 1.00 0.00 C ATOM 166 C THR A 12 25.688 -15.522 -2.258 1.00 0.00 C ATOM 167 O THR A 12 25.993 -14.899 -3.275 1.00 0.00 O ATOM 168 CB THR A 12 23.495 -15.884 -3.390 1.00 0.00 C ATOM 169 OG1 THR A 12 24.270 -16.288 -4.524 1.00 0.00 O ATOM 170 CG2 THR A 12 23.106 -14.420 -3.531 1.00 0.00 C ATOM 0 H THR A 12 23.969 -14.639 -0.643 1.00 0.00 H new ATOM 0 HA THR A 12 24.380 -17.188 -1.916 1.00 0.00 H new ATOM 0 HB THR A 12 22.585 -16.482 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.025 -15.675 -4.639 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.542 -14.281 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.491 -14.123 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.006 -13.806 -3.560 1.00 0.00 H new ATOM 178 N TYR A 13 26.532 -15.718 -1.250 1.00 0.00 N ATOM 179 CA TYR A 13 27.894 -15.198 -1.282 1.00 0.00 C ATOM 180 C TYR A 13 28.911 -16.330 -1.167 1.00 0.00 C ATOM 181 O TYR A 13 30.115 -16.091 -1.078 1.00 0.00 O ATOM 182 CB TYR A 13 28.105 -14.191 -0.150 1.00 0.00 C ATOM 183 CG TYR A 13 29.509 -13.634 -0.089 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.006 -12.835 -1.111 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.339 -13.906 0.992 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.288 -12.325 -1.060 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.622 -13.399 1.053 1.00 0.00 C ATOM 188 CZ TYR A 13 32.093 -12.609 0.024 1.00 0.00 C ATOM 189 OH TYR A 13 33.370 -12.101 0.080 1.00 0.00 O ATOM 0 H TYR A 13 26.297 -16.233 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 13 28.042 -14.696 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.401 -13.367 -0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.872 -14.671 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.378 -12.609 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.974 -14.525 1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.659 -11.707 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.253 -13.619 1.901 1.00 0.00 H new ATOM 0 HH TYR A 13 33.403 -11.246 -0.397 1.00 0.00 H new ATOM 199 N SER A 14 28.416 -17.564 -1.170 1.00 0.00 N ATOM 200 CA SER A 14 29.280 -18.734 -1.063 1.00 0.00 C ATOM 201 C SER A 14 30.554 -18.545 -1.881 1.00 0.00 C ATOM 202 O SER A 14 30.525 -18.575 -3.111 1.00 0.00 O ATOM 203 CB SER A 14 28.539 -19.986 -1.534 1.00 0.00 C ATOM 204 OG SER A 14 27.135 -19.813 -1.441 1.00 0.00 O ATOM 0 H SER A 14 27.422 -17.779 -1.245 1.00 0.00 H new ATOM 0 HA SER A 14 29.556 -18.857 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.814 -20.209 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.844 -20.841 -0.931 1.00 0.00 H new ATOM 0 HG SER A 14 26.684 -20.627 -1.749 1.00 0.00 H new ATOM 210 N GLY A 15 31.672 -18.351 -1.189 1.00 0.00 N ATOM 211 CA GLY A 15 32.941 -18.160 -1.866 1.00 0.00 C ATOM 212 C GLY A 15 33.858 -17.209 -1.123 1.00 0.00 C ATOM 213 O GLY A 15 33.770 -15.992 -1.290 1.00 0.00 O ATOM 0 H GLY A 15 31.722 -18.323 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.437 -19.124 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.759 -17.775 -2.869 1.00 0.00 H new ATOM 217 N LYS A 16 34.740 -17.763 -0.299 1.00 0.00 N ATOM 218 CA LYS A 16 35.678 -16.957 0.474 1.00 0.00 C ATOM 219 C LYS A 16 34.969 -15.773 1.125 1.00 0.00 C ATOM 220 O LYS A 16 33.740 -15.733 1.193 1.00 0.00 O ATOM 221 CB LYS A 16 36.812 -16.456 -0.423 1.00 0.00 C ATOM 222 CG LYS A 16 36.395 -15.338 -1.363 1.00 0.00 C ATOM 223 CD LYS A 16 37.600 -14.592 -1.910 1.00 0.00 C ATOM 224 CE LYS A 16 37.336 -14.057 -3.310 1.00 0.00 C ATOM 225 NZ LYS A 16 38.011 -14.877 -4.353 1.00 0.00 N ATOM 0 H LYS A 16 34.825 -18.768 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 16 36.096 -17.585 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.632 -16.106 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.194 -17.290 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.817 -15.752 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 35.743 -14.642 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.850 -13.766 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.463 -15.258 -1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 16 36.262 -14.043 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.684 -13.026 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 37.807 -14.480 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.038 -14.869 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 37.660 -15.855 -4.307 1.00 0.00 H new ATOM 239 N CYS A 17 35.752 -14.811 1.601 1.00 0.00 N ATOM 240 CA CYS A 17 35.200 -13.625 2.246 1.00 0.00 C ATOM 241 C CYS A 17 36.148 -12.438 2.103 1.00 0.00 C ATOM 242 O CYS A 17 37.366 -12.607 2.034 1.00 0.00 O ATOM 243 CB CYS A 17 34.931 -13.902 3.726 1.00 0.00 C ATOM 244 SG CYS A 17 33.400 -13.144 4.358 1.00 0.00 S ATOM 0 H CYS A 17 36.771 -14.829 1.552 1.00 0.00 H new ATOM 0 HA CYS A 17 34.260 -13.378 1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.880 -14.980 3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.774 -13.536 4.312 1.00 0.00 H new ATOM 249 N ASP A 18 35.581 -11.237 2.060 1.00 0.00 N ATOM 250 CA ASP A 18 36.375 -10.021 1.927 1.00 0.00 C ATOM 251 C ASP A 18 35.515 -8.783 2.159 1.00 0.00 C ATOM 252 O ASP A 18 34.379 -8.882 2.622 1.00 0.00 O ATOM 253 CB ASP A 18 37.020 -9.956 0.542 1.00 0.00 C ATOM 254 CG ASP A 18 38.462 -9.491 0.596 1.00 0.00 C ATOM 255 OD1 ASP A 18 39.322 -10.277 1.047 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.730 -8.343 0.186 1.00 0.00 O ATOM 0 H ASP A 18 34.575 -11.080 2.115 1.00 0.00 H new ATOM 0 HA ASP A 18 37.159 -10.044 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.976 -10.941 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.447 -9.279 -0.091 1.00 0.00 H new ATOM 261 N ASN A 19 36.065 -7.617 1.836 1.00 0.00 N ATOM 262 CA ASN A 19 35.349 -6.359 2.011 1.00 0.00 C ATOM 263 C ASN A 19 34.649 -5.946 0.720 1.00 0.00 C ATOM 264 O ASN A 19 33.420 -5.928 0.645 1.00 0.00 O ATOM 265 CB ASN A 19 36.313 -5.257 2.456 1.00 0.00 C ATOM 266 CG ASN A 19 35.742 -3.868 2.243 1.00 0.00 C ATOM 267 OD1 ASN A 19 36.409 -2.987 1.700 1.00 0.00 O ATOM 268 ND2 ASN A 19 34.500 -3.667 2.669 1.00 0.00 N ATOM 0 H ASN A 19 37.005 -7.517 1.452 1.00 0.00 H new ATOM 0 HA ASN A 19 34.593 -6.505 2.782 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.551 -5.391 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 19 37.248 -5.351 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 19 34.062 -2.753 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 19 33.984 -4.426 3.114 1.00 0.00 H new ATOM 275 N LYS A 20 35.439 -5.617 -0.296 1.00 0.00 N ATOM 276 CA LYS A 20 34.898 -5.207 -1.586 1.00 0.00 C ATOM 277 C LYS A 20 34.196 -6.371 -2.276 1.00 0.00 C ATOM 278 O LYS A 20 33.166 -6.192 -2.927 1.00 0.00 O ATOM 279 CB LYS A 20 36.014 -4.666 -2.482 1.00 0.00 C ATOM 280 CG LYS A 20 35.539 -3.636 -3.492 1.00 0.00 C ATOM 281 CD LYS A 20 35.732 -4.122 -4.918 1.00 0.00 C ATOM 282 CE LYS A 20 36.899 -3.417 -5.594 1.00 0.00 C ATOM 283 NZ LYS A 20 36.700 -1.942 -5.647 1.00 0.00 N ATOM 0 H LYS A 20 36.458 -5.626 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 20 34.167 -4.418 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.786 -4.219 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.476 -5.497 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.485 -3.417 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.086 -2.704 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 20 35.907 -5.198 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 34.820 -3.948 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 20 37.820 -3.640 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 20 37.020 -3.804 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 37.177 -1.557 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.683 -1.731 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.101 -1.507 -4.792 1.00 0.00 H new ATOM 297 N LYS A 21 34.758 -7.566 -2.130 1.00 0.00 N ATOM 298 CA LYS A 21 34.185 -8.762 -2.737 1.00 0.00 C ATOM 299 C LYS A 21 32.775 -9.015 -2.214 1.00 0.00 C ATOM 300 O LYS A 21 31.904 -9.482 -2.949 1.00 0.00 O ATOM 301 CB LYS A 21 35.071 -9.977 -2.453 1.00 0.00 C ATOM 302 CG LYS A 21 36.434 -9.905 -3.119 1.00 0.00 C ATOM 303 CD LYS A 21 36.312 -9.747 -4.625 1.00 0.00 C ATOM 304 CE LYS A 21 36.408 -8.288 -5.043 1.00 0.00 C ATOM 305 NZ LYS A 21 37.556 -8.048 -5.961 1.00 0.00 N ATOM 0 H LYS A 21 35.611 -7.732 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 21 34.131 -8.603 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.207 -10.073 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.558 -10.877 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.996 -9.066 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.999 -10.809 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 21 37.098 -10.320 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.360 -10.160 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.482 -7.989 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.515 -7.663 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.587 -7.042 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.442 -8.309 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.441 -8.625 -6.818 1.00 0.00 H new ATOM 319 N CYS A 22 32.555 -8.702 -0.941 1.00 0.00 N ATOM 320 CA CYS A 22 31.250 -8.894 -0.320 1.00 0.00 C ATOM 321 C CYS A 22 30.293 -7.770 -0.706 1.00 0.00 C ATOM 322 O CYS A 22 29.219 -8.016 -1.254 1.00 0.00 O ATOM 323 CB CYS A 22 31.391 -8.959 1.202 1.00 0.00 C ATOM 324 SG CYS A 22 30.495 -10.344 1.973 1.00 0.00 S ATOM 0 H CYS A 22 33.264 -8.314 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 22 30.839 -9.837 -0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.448 -9.038 1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.030 -8.024 1.630 1.00 0.00 H new ATOM 329 N ASP A 23 30.692 -6.536 -0.417 1.00 0.00 N ATOM 330 CA ASP A 23 29.871 -5.373 -0.734 1.00 0.00 C ATOM 331 C ASP A 23 29.481 -5.370 -2.209 1.00 0.00 C ATOM 332 O ASP A 23 28.347 -5.044 -2.562 1.00 0.00 O ATOM 333 CB ASP A 23 30.619 -4.085 -0.389 1.00 0.00 C ATOM 334 CG ASP A 23 29.684 -2.964 0.021 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.485 -3.039 -0.319 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.151 -2.012 0.681 1.00 0.00 O ATOM 0 H ASP A 23 31.579 -6.315 0.036 1.00 0.00 H new ATOM 0 HA ASP A 23 28.961 -5.427 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.322 -4.282 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.206 -3.767 -1.251 1.00 0.00 H new ATOM 341 N LYS A 24 30.428 -5.733 -3.067 1.00 0.00 N ATOM 342 CA LYS A 24 30.185 -5.773 -4.504 1.00 0.00 C ATOM 343 C LYS A 24 29.150 -6.838 -4.852 1.00 0.00 C ATOM 344 O LYS A 24 28.194 -6.576 -5.581 1.00 0.00 O ATOM 345 CB LYS A 24 31.489 -6.049 -5.256 1.00 0.00 C ATOM 346 CG LYS A 24 31.292 -6.320 -6.737 1.00 0.00 C ATOM 347 CD LYS A 24 32.619 -6.536 -7.446 1.00 0.00 C ATOM 348 CE LYS A 24 32.499 -7.576 -8.549 1.00 0.00 C ATOM 349 NZ LYS A 24 33.652 -7.524 -9.489 1.00 0.00 N ATOM 0 H LYS A 24 31.372 -6.004 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 24 29.796 -4.801 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.155 -5.194 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.986 -6.906 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.662 -7.200 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.766 -5.482 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.964 -5.593 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.371 -6.855 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.437 -8.570 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.573 -7.415 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.532 -8.248 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.697 -6.584 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.534 -7.703 -8.967 1.00 0.00 H new ATOM 363 N LYS A 25 29.347 -8.042 -4.325 1.00 0.00 N ATOM 364 CA LYS A 25 28.431 -9.148 -4.577 1.00 0.00 C ATOM 365 C LYS A 25 27.029 -8.818 -4.074 1.00 0.00 C ATOM 366 O LYS A 25 26.037 -9.348 -4.576 1.00 0.00 O ATOM 367 CB LYS A 25 28.939 -10.423 -3.901 1.00 0.00 C ATOM 368 CG LYS A 25 27.929 -11.557 -3.903 1.00 0.00 C ATOM 369 CD LYS A 25 27.063 -11.534 -2.654 1.00 0.00 C ATOM 370 CE LYS A 25 25.620 -11.897 -2.969 1.00 0.00 C ATOM 371 NZ LYS A 25 24.892 -12.376 -1.762 1.00 0.00 N ATOM 0 H LYS A 25 30.134 -8.277 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 25 28.384 -9.309 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 25 29.846 -10.755 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.213 -10.194 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.296 -11.480 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.452 -12.511 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 25 27.463 -12.233 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 27.100 -10.542 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.108 -11.027 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.600 -12.671 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.923 -12.645 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.385 -13.201 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 24.860 -11.617 -1.052 1.00 0.00 H new ATOM 385 N CYS A 26 26.954 -7.938 -3.081 1.00 0.00 N ATOM 386 CA CYS A 26 25.674 -7.536 -2.510 1.00 0.00 C ATOM 387 C CYS A 26 24.867 -6.713 -3.510 1.00 0.00 C ATOM 388 O CYS A 26 23.702 -7.010 -3.777 1.00 0.00 O ATOM 389 CB CYS A 26 25.894 -6.730 -1.228 1.00 0.00 C ATOM 390 SG CYS A 26 26.373 -7.738 0.211 1.00 0.00 S ATOM 0 H CYS A 26 27.765 -7.490 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 26 25.111 -8.438 -2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.668 -5.984 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.978 -6.189 -0.990 1.00 0.00 H new ATOM 395 N ILE A 27 25.495 -5.678 -4.058 1.00 0.00 N ATOM 396 CA ILE A 27 24.836 -4.813 -5.029 1.00 0.00 C ATOM 397 C ILE A 27 24.831 -5.447 -6.416 1.00 0.00 C ATOM 398 O ILE A 27 24.061 -5.047 -7.289 1.00 0.00 O ATOM 399 CB ILE A 27 25.519 -3.435 -5.110 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.775 -2.885 -3.705 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.665 -2.467 -5.916 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.232 -2.590 -3.428 1.00 0.00 C ATOM 0 H ILE A 27 26.458 -5.418 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 27 23.809 -4.681 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 27 26.478 -3.550 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.196 -1.972 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.412 -3.604 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.161 -1.498 -5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.529 -2.856 -6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.693 -2.354 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.339 -2.204 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.814 -3.506 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.595 -1.848 -4.139 1.00 0.00 H new ATOM 414 N GLU A 28 25.694 -6.440 -6.610 1.00 0.00 N ATOM 415 CA GLU A 28 25.787 -7.130 -7.891 1.00 0.00 C ATOM 416 C GLU A 28 24.743 -8.238 -7.990 1.00 0.00 C ATOM 417 O GLU A 28 24.083 -8.394 -9.017 1.00 0.00 O ATOM 418 CB GLU A 28 27.188 -7.716 -8.079 1.00 0.00 C ATOM 419 CG GLU A 28 28.206 -6.711 -8.590 1.00 0.00 C ATOM 420 CD GLU A 28 28.581 -6.946 -10.041 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.911 -8.100 -10.387 1.00 0.00 O ATOM 422 OE2 GLU A 28 28.545 -5.978 -10.828 1.00 0.00 O ATOM 0 H GLU A 28 26.338 -6.784 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 28 25.596 -6.403 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.534 -8.119 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.132 -8.551 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.803 -5.704 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.104 -6.763 -7.974 1.00 0.00 H new ATOM 429 N TRP A 29 24.600 -9.005 -6.915 1.00 0.00 N ATOM 430 CA TRP A 29 23.636 -10.099 -6.880 1.00 0.00 C ATOM 431 C TRP A 29 22.395 -9.707 -6.086 1.00 0.00 C ATOM 432 O TRP A 29 21.271 -9.853 -6.564 1.00 0.00 O ATOM 433 CB TRP A 29 24.274 -11.348 -6.269 1.00 0.00 C ATOM 434 CG TRP A 29 25.320 -11.969 -7.144 1.00 0.00 C ATOM 435 CD1 TRP A 29 25.918 -11.405 -8.234 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.891 -13.275 -7.002 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.825 -12.281 -8.779 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.828 -13.435 -8.041 1.00 0.00 C ATOM 439 CE3 TRP A 29 25.703 -14.323 -6.098 1.00 0.00 C ATOM 440 CZ2 TRP A 29 27.572 -14.601 -8.199 1.00 0.00 C ATOM 441 CZ3 TRP A 29 26.442 -15.480 -6.256 1.00 0.00 C ATOM 442 CH2 TRP A 29 27.368 -15.611 -7.300 1.00 0.00 C ATOM 0 H TRP A 29 25.139 -8.890 -6.057 1.00 0.00 H new ATOM 0 HA TRP A 29 23.334 -10.317 -7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.721 -11.087 -5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.495 -12.084 -6.068 1.00 0.00 H new ATOM 0 HD1 TRP A 29 25.709 -10.415 -8.612 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.403 -12.101 -9.600 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.993 -14.231 -5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 28.285 -14.704 -9.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 26.304 -16.297 -5.563 1.00 0.00 H new ATOM 0 HH2 TRP A 29 27.931 -16.527 -7.396 1.00 0.00 H new ATOM 453 N GLU A 30 22.607 -9.208 -4.872 1.00 0.00 N ATOM 454 CA GLU A 30 21.504 -8.795 -4.013 1.00 0.00 C ATOM 455 C GLU A 30 21.072 -7.367 -4.331 1.00 0.00 C ATOM 456 O GLU A 30 20.145 -6.835 -3.719 1.00 0.00 O ATOM 457 CB GLU A 30 21.907 -8.902 -2.541 1.00 0.00 C ATOM 458 CG GLU A 30 21.890 -10.324 -2.006 1.00 0.00 C ATOM 459 CD GLU A 30 22.501 -10.435 -0.623 1.00 0.00 C ATOM 460 OE1 GLU A 30 22.968 -9.404 -0.096 1.00 0.00 O ATOM 461 OE2 GLU A 30 22.512 -11.554 -0.068 1.00 0.00 O ATOM 0 H GLU A 30 23.532 -9.080 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 30 20.662 -9.461 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.908 -8.488 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.232 -8.290 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.862 -10.684 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.434 -10.973 -2.692 1.00 0.00 H new ATOM 468 N LYS A 31 21.750 -6.750 -5.293 1.00 0.00 N ATOM 469 CA LYS A 31 21.438 -5.383 -5.694 1.00 0.00 C ATOM 470 C LYS A 31 21.208 -4.497 -4.475 1.00 0.00 C ATOM 471 O LYS A 31 20.388 -3.580 -4.508 1.00 0.00 O ATOM 472 CB LYS A 31 20.200 -5.364 -6.593 1.00 0.00 C ATOM 473 CG LYS A 31 20.265 -6.358 -7.740 1.00 0.00 C ATOM 474 CD LYS A 31 21.566 -6.229 -8.515 1.00 0.00 C ATOM 475 CE LYS A 31 21.757 -4.820 -9.054 1.00 0.00 C ATOM 476 NZ LYS A 31 22.654 -4.797 -10.242 1.00 0.00 N ATOM 0 H LYS A 31 22.520 -7.175 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 31 22.290 -4.991 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.319 -5.577 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.072 -4.361 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.171 -7.372 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.422 -6.196 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.404 -6.488 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.570 -6.939 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.788 -4.400 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.174 -4.186 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.759 -3.819 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.587 -5.174 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.244 -5.382 -10.998 1.00 0.00 H new ATOM 490 N ALA A 32 21.939 -4.776 -3.400 1.00 0.00 N ATOM 491 CA ALA A 32 21.816 -4.001 -2.171 1.00 0.00 C ATOM 492 C ALA A 32 22.559 -2.674 -2.283 1.00 0.00 C ATOM 493 O ALA A 32 22.972 -2.274 -3.370 1.00 0.00 O ATOM 494 CB ALA A 32 22.338 -4.802 -0.988 1.00 0.00 C ATOM 0 H ALA A 32 22.622 -5.532 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 32 20.760 -3.784 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.240 -4.211 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.761 -5.721 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.387 -5.048 -1.150 1.00 0.00 H new ATOM 500 N GLN A 33 22.724 -1.996 -1.151 1.00 0.00 N ATOM 501 CA GLN A 33 23.416 -0.713 -1.123 1.00 0.00 C ATOM 502 C GLN A 33 24.787 -0.848 -0.470 1.00 0.00 C ATOM 503 O GLN A 33 25.789 -0.370 -1.002 1.00 0.00 O ATOM 504 CB GLN A 33 22.580 0.325 -0.372 1.00 0.00 C ATOM 505 CG GLN A 33 22.462 1.654 -1.101 1.00 0.00 C ATOM 506 CD GLN A 33 22.969 2.819 -0.274 1.00 0.00 C ATOM 507 OE1 GLN A 33 22.205 3.710 0.098 1.00 0.00 O ATOM 508 NE2 GLN A 33 24.264 2.819 0.019 1.00 0.00 N ATOM 0 H GLN A 33 22.388 -2.314 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 33 23.555 -0.381 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.581 -0.078 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.024 0.496 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 33 23.024 1.604 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.419 1.828 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.861 2.060 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.662 3.578 0.573 1.00 0.00 H new ATOM 517 N HIS A 34 24.824 -1.502 0.687 1.00 0.00 N ATOM 518 CA HIS A 34 26.073 -1.700 1.413 1.00 0.00 C ATOM 519 C HIS A 34 26.135 -3.100 2.017 1.00 0.00 C ATOM 520 O HIS A 34 25.105 -3.701 2.323 1.00 0.00 O ATOM 521 CB HIS A 34 26.219 -0.650 2.515 1.00 0.00 C ATOM 522 CG HIS A 34 27.578 -0.022 2.568 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.494 -0.292 3.563 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.176 0.866 1.739 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.595 0.404 3.345 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.428 1.115 2.245 1.00 0.00 N ATOM 0 H HIS A 34 24.004 -1.903 1.141 1.00 0.00 H new ATOM 0 HA HIS A 34 26.896 -1.592 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.473 0.130 2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.004 -1.114 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 34 27.748 1.298 0.846 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.481 0.393 3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.117 1.747 1.837 1.00 0.00 H new ATOM 534 N GLY A 35 27.349 -3.615 2.186 1.00 0.00 N ATOM 535 CA GLY A 35 27.522 -4.940 2.751 1.00 0.00 C ATOM 536 C GLY A 35 28.846 -5.094 3.473 1.00 0.00 C ATOM 537 O GLY A 35 29.782 -4.333 3.235 1.00 0.00 O ATOM 0 H GLY A 35 28.216 -3.137 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.707 -5.145 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.457 -5.682 1.955 1.00 0.00 H new ATOM 541 N ALA A 36 28.923 -6.082 4.359 1.00 0.00 N ATOM 542 CA ALA A 36 30.142 -6.334 5.118 1.00 0.00 C ATOM 543 C ALA A 36 30.246 -7.802 5.517 1.00 0.00 C ATOM 544 O ALA A 36 29.242 -8.512 5.580 1.00 0.00 O ATOM 545 CB ALA A 36 30.189 -5.444 6.351 1.00 0.00 C ATOM 0 H ALA A 36 28.156 -6.721 4.569 1.00 0.00 H new ATOM 0 HA ALA A 36 30.994 -6.097 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.104 -5.643 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.170 -4.398 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.326 -5.653 6.984 1.00 0.00 H new ATOM 551 N CYS A 37 31.467 -8.252 5.787 1.00 0.00 N ATOM 552 CA CYS A 37 31.703 -9.635 6.180 1.00 0.00 C ATOM 553 C CYS A 37 32.371 -9.705 7.550 1.00 0.00 C ATOM 554 O CYS A 37 33.259 -8.911 7.861 1.00 0.00 O ATOM 555 CB CYS A 37 32.574 -10.341 5.139 1.00 0.00 C ATOM 556 SG CYS A 37 33.367 -11.866 5.743 1.00 0.00 S ATOM 0 H CYS A 37 32.309 -7.678 5.741 1.00 0.00 H new ATOM 0 HA CYS A 37 30.739 -10.139 6.240 1.00 0.00 H new ATOM 0 HB2 CYS A 37 31.960 -10.583 4.271 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.347 -9.652 4.800 1.00 0.00 H new ATOM 561 N HIS A 38 31.938 -10.662 8.365 1.00 0.00 N ATOM 562 CA HIS A 38 32.495 -10.837 9.702 1.00 0.00 C ATOM 563 C HIS A 38 32.516 -12.312 10.093 1.00 0.00 C ATOM 564 O HIS A 38 31.659 -13.089 9.672 1.00 0.00 O ATOM 565 CB HIS A 38 31.685 -10.038 10.723 1.00 0.00 C ATOM 566 CG HIS A 38 32.508 -9.502 11.854 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.845 -10.252 12.961 1.00 0.00 N ATOM 568 CD2 HIS A 38 33.064 -8.283 12.043 1.00 0.00 C ATOM 569 CE1 HIS A 38 33.571 -9.516 13.784 1.00 0.00 C ATOM 570 NE2 HIS A 38 33.719 -8.317 13.250 1.00 0.00 N ATOM 0 H HIS A 38 31.204 -11.328 8.123 1.00 0.00 H new ATOM 0 HA HIS A 38 33.520 -10.467 9.693 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.195 -9.207 10.216 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.897 -10.674 11.127 1.00 0.00 H new ATOM 0 HD2 HIS A 38 33.004 -7.440 11.370 1.00 0.00 H new ATOM 0 HE1 HIS A 38 33.975 -9.840 14.732 1.00 0.00 H new ATOM 0 HE2 HIS A 38 34.236 -7.542 13.666 1.00 0.00 H new ATOM 578 N LYS A 39 33.501 -12.691 10.900 1.00 0.00 N ATOM 579 CA LYS A 39 33.635 -14.072 11.349 1.00 0.00 C ATOM 580 C LYS A 39 32.918 -14.284 12.678 1.00 0.00 C ATOM 581 O LYS A 39 33.104 -13.517 13.624 1.00 0.00 O ATOM 582 CB LYS A 39 35.113 -14.443 11.489 1.00 0.00 C ATOM 583 CG LYS A 39 35.835 -13.666 12.577 1.00 0.00 C ATOM 584 CD LYS A 39 35.868 -14.437 13.885 1.00 0.00 C ATOM 585 CE LYS A 39 36.982 -15.472 13.894 1.00 0.00 C ATOM 586 NZ LYS A 39 38.189 -14.982 14.616 1.00 0.00 N ATOM 0 H LYS A 39 34.219 -12.061 11.257 1.00 0.00 H new ATOM 0 HA LYS A 39 33.174 -14.717 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.193 -15.509 11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.614 -14.270 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.854 -13.450 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 39 35.339 -12.708 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 39 36.008 -13.743 14.714 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.909 -14.931 14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.624 -16.387 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.250 -15.726 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.925 -15.716 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 38.546 -14.123 14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 37.939 -14.764 15.602 1.00 0.00 H new ATOM 600 N ARG A 40 32.099 -15.328 12.744 1.00 0.00 N ATOM 601 CA ARG A 40 31.355 -15.641 13.958 1.00 0.00 C ATOM 602 C ARG A 40 30.813 -17.066 13.911 1.00 0.00 C ATOM 603 O ARG A 40 31.073 -17.808 12.965 1.00 0.00 O ATOM 604 CB ARG A 40 30.203 -14.651 14.144 1.00 0.00 C ATOM 605 CG ARG A 40 30.018 -14.196 15.582 1.00 0.00 C ATOM 606 CD ARG A 40 30.762 -12.898 15.855 1.00 0.00 C ATOM 607 NE ARG A 40 30.357 -12.291 17.121 1.00 0.00 N ATOM 608 CZ ARG A 40 30.751 -11.086 17.517 1.00 0.00 C ATOM 609 NH1 ARG A 40 31.555 -10.362 16.750 1.00 0.00 N ATOM 610 NH2 ARG A 40 30.339 -10.602 18.682 1.00 0.00 N ATOM 0 H ARG A 40 31.934 -15.972 11.970 1.00 0.00 H new ATOM 0 HA ARG A 40 32.037 -15.558 14.804 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.380 -13.778 13.516 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.279 -15.112 13.796 1.00 0.00 H new ATOM 0 HG2 ARG A 40 28.956 -14.059 15.788 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.376 -14.971 16.259 1.00 0.00 H new ATOM 0 HD2 ARG A 40 31.835 -13.092 15.872 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.578 -12.197 15.041 1.00 0.00 H new ATOM 0 HE ARG A 40 29.738 -12.822 17.734 1.00 0.00 H new ATOM 0 HH11 ARG A 40 31.872 -10.730 15.853 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.856 -9.437 17.057 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.719 -11.155 19.274 1.00 0.00 H new ATOM 0 HH22 ARG A 40 30.642 -9.677 18.986 1.00 0.00 H new ATOM 624 N GLU A 41 30.059 -17.441 14.940 1.00 0.00 N ATOM 625 CA GLU A 41 29.482 -18.778 15.017 1.00 0.00 C ATOM 626 C GLU A 41 30.534 -19.842 14.721 1.00 0.00 C ATOM 627 O GLU A 41 30.719 -20.246 13.574 1.00 0.00 O ATOM 628 CB GLU A 41 28.316 -18.911 14.034 1.00 0.00 C ATOM 629 CG GLU A 41 27.220 -17.881 14.247 1.00 0.00 C ATOM 630 CD GLU A 41 26.476 -17.548 12.968 1.00 0.00 C ATOM 631 OE1 GLU A 41 27.130 -17.457 11.908 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.240 -17.378 13.027 1.00 0.00 O ATOM 0 H GLU A 41 29.834 -16.838 15.731 1.00 0.00 H new ATOM 0 HA GLU A 41 29.113 -18.929 16.031 1.00 0.00 H new ATOM 0 HB2 GLU A 41 28.697 -18.819 13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.888 -19.909 14.125 1.00 0.00 H new ATOM 0 HG2 GLU A 41 26.513 -18.256 14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.657 -16.970 14.656 1.00 0.00 H new ATOM 639 N ALA A 42 31.222 -20.292 15.766 1.00 0.00 N ATOM 640 CA ALA A 42 32.255 -21.310 15.620 1.00 0.00 C ATOM 641 C ALA A 42 33.419 -20.794 14.781 1.00 0.00 C ATOM 642 O ALA A 42 34.471 -20.442 15.313 1.00 0.00 O ATOM 643 CB ALA A 42 31.670 -22.569 14.997 1.00 0.00 C ATOM 0 H ALA A 42 31.082 -19.967 16.723 1.00 0.00 H new ATOM 0 HA ALA A 42 32.636 -21.552 16.612 1.00 0.00 H new ATOM 0 HB1 ALA A 42 32.452 -23.321 14.894 1.00 0.00 H new ATOM 0 HB2 ALA A 42 30.876 -22.956 15.636 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.262 -22.333 14.014 1.00 0.00 H new ATOM 649 N GLY A 43 33.224 -20.753 13.467 1.00 0.00 N ATOM 650 CA GLY A 43 34.267 -20.280 12.576 1.00 0.00 C ATOM 651 C GLY A 43 33.754 -20.006 11.176 1.00 0.00 C ATOM 652 O GLY A 43 34.474 -20.193 10.195 1.00 0.00 O ATOM 0 H GLY A 43 32.362 -21.039 13.003 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.704 -19.369 12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.064 -21.022 12.529 1.00 0.00 H new ATOM 656 N LYS A 44 32.505 -19.564 11.081 1.00 0.00 N ATOM 657 CA LYS A 44 31.894 -19.264 9.792 1.00 0.00 C ATOM 658 C LYS A 44 31.700 -17.762 9.617 1.00 0.00 C ATOM 659 O LYS A 44 31.174 -17.088 10.503 1.00 0.00 O ATOM 660 CB LYS A 44 30.549 -19.982 9.662 1.00 0.00 C ATOM 661 CG LYS A 44 29.515 -19.524 10.677 1.00 0.00 C ATOM 662 CD LYS A 44 28.444 -20.579 10.896 1.00 0.00 C ATOM 663 CE LYS A 44 28.882 -21.615 11.920 1.00 0.00 C ATOM 664 NZ LYS A 44 28.084 -22.868 11.817 1.00 0.00 N ATOM 0 H LYS A 44 31.895 -19.405 11.883 1.00 0.00 H new ATOM 0 HA LYS A 44 32.565 -19.619 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.156 -19.821 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.707 -21.055 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.007 -19.301 11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 44 29.051 -18.599 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.524 -20.101 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.220 -21.073 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.938 -21.844 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.779 -21.200 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.413 -23.549 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.079 -22.654 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 28.202 -23.278 10.868 1.00 0.00 H new ATOM 678 N GLU A 45 32.127 -17.243 8.470 1.00 0.00 N ATOM 679 CA GLU A 45 31.999 -15.820 8.181 1.00 0.00 C ATOM 680 C GLU A 45 30.695 -15.530 7.442 1.00 0.00 C ATOM 681 O GLU A 45 30.394 -16.153 6.425 1.00 0.00 O ATOM 682 CB GLU A 45 33.188 -15.336 7.349 1.00 0.00 C ATOM 683 CG GLU A 45 34.226 -14.575 8.155 1.00 0.00 C ATOM 684 CD GLU A 45 35.541 -14.421 7.416 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.973 -15.395 6.765 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.138 -13.326 7.488 1.00 0.00 O ATOM 0 H GLU A 45 32.564 -17.787 7.726 1.00 0.00 H new ATOM 0 HA GLU A 45 31.987 -15.283 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.665 -16.196 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.822 -14.695 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.836 -13.588 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.402 -15.095 9.097 1.00 0.00 H new ATOM 693 N SER A 46 29.925 -14.580 7.963 1.00 0.00 N ATOM 694 CA SER A 46 28.652 -14.209 7.357 1.00 0.00 C ATOM 695 C SER A 46 28.710 -12.792 6.795 1.00 0.00 C ATOM 696 O SER A 46 29.424 -11.934 7.314 1.00 0.00 O ATOM 697 CB SER A 46 27.523 -14.318 8.384 1.00 0.00 C ATOM 698 OG SER A 46 27.821 -15.292 9.368 1.00 0.00 O ATOM 0 H SER A 46 30.161 -14.053 8.804 1.00 0.00 H new ATOM 0 HA SER A 46 28.454 -14.898 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.367 -13.351 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.592 -14.579 7.880 1.00 0.00 H new ATOM 0 HG SER A 46 27.085 -15.341 10.013 1.00 0.00 H new ATOM 704 N CYS A 47 27.952 -12.554 5.730 1.00 0.00 N ATOM 705 CA CYS A 47 27.915 -11.242 5.095 1.00 0.00 C ATOM 706 C CYS A 47 26.558 -10.575 5.303 1.00 0.00 C ATOM 707 O CYS A 47 25.516 -11.156 5.001 1.00 0.00 O ATOM 708 CB CYS A 47 28.210 -11.367 3.599 1.00 0.00 C ATOM 709 SG CYS A 47 28.836 -9.837 2.834 1.00 0.00 S ATOM 0 H CYS A 47 27.355 -13.253 5.288 1.00 0.00 H new ATOM 0 HA CYS A 47 28.681 -10.620 5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.941 -12.161 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.299 -11.671 3.084 1.00 0.00 H new ATOM 714 N PHE A 48 26.580 -9.350 5.819 1.00 0.00 N ATOM 715 CA PHE A 48 25.352 -8.604 6.067 1.00 0.00 C ATOM 716 C PHE A 48 25.287 -7.357 5.190 1.00 0.00 C ATOM 717 O PHE A 48 26.205 -6.537 5.187 1.00 0.00 O ATOM 718 CB PHE A 48 25.260 -8.208 7.543 1.00 0.00 C ATOM 719 CG PHE A 48 26.590 -7.878 8.159 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.386 -8.877 8.696 1.00 0.00 C ATOM 721 CD2 PHE A 48 27.044 -6.570 8.200 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.610 -8.577 9.264 1.00 0.00 C ATOM 723 CE2 PHE A 48 28.267 -6.264 8.766 1.00 0.00 C ATOM 724 CZ PHE A 48 29.051 -7.268 9.299 1.00 0.00 C ATOM 0 H PHE A 48 27.434 -8.854 6.073 1.00 0.00 H new ATOM 0 HA PHE A 48 24.509 -9.248 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.600 -7.346 7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.802 -9.024 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.046 -9.902 8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.435 -5.780 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.221 -9.365 9.680 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.609 -5.240 8.791 1.00 0.00 H new ATOM 0 HZ PHE A 48 30.007 -7.031 9.742 1.00 0.00 H new ATOM 734 N CYS A 49 24.194 -7.222 4.445 1.00 0.00 N ATOM 735 CA CYS A 49 24.007 -6.077 3.562 1.00 0.00 C ATOM 736 C CYS A 49 22.675 -5.387 3.841 1.00 0.00 C ATOM 737 O CYS A 49 21.744 -6.000 4.365 1.00 0.00 O ATOM 738 CB CYS A 49 24.069 -6.519 2.099 1.00 0.00 C ATOM 739 SG CYS A 49 25.300 -7.820 1.767 1.00 0.00 S ATOM 0 H CYS A 49 23.425 -7.892 4.436 1.00 0.00 H new ATOM 0 HA CYS A 49 24.811 -5.367 3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.085 -6.879 1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.296 -5.652 1.478 1.00 0.00 H new ATOM 744 N TYR A 50 22.590 -4.110 3.486 1.00 0.00 N ATOM 745 CA TYR A 50 21.373 -3.336 3.699 1.00 0.00 C ATOM 746 C TYR A 50 21.092 -2.424 2.509 1.00 0.00 C ATOM 747 O TYR A 50 22.000 -1.790 1.969 1.00 0.00 O ATOM 748 CB TYR A 50 21.491 -2.504 4.977 1.00 0.00 C ATOM 749 CG TYR A 50 22.129 -1.150 4.762 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.359 -0.042 4.432 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.502 -0.980 4.888 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.938 1.197 4.234 1.00 0.00 C ATOM 753 CE2 TYR A 50 24.090 0.255 4.693 1.00 0.00 C ATOM 754 CZ TYR A 50 23.304 1.340 4.366 1.00 0.00 C ATOM 755 OH TYR A 50 23.885 2.572 4.170 1.00 0.00 O ATOM 0 H TYR A 50 23.350 -3.589 3.049 1.00 0.00 H new ATOM 0 HA TYR A 50 20.542 -4.034 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 50 20.497 -2.364 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 50 22.076 -3.060 5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.289 -0.151 4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.121 -1.828 5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 50 21.325 2.048 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 50 25.159 0.370 4.796 1.00 0.00 H new ATOM 0 HH TYR A 50 24.854 2.502 4.302 1.00 0.00 H new ATOM 765 N PHE A 51 19.828 -2.362 2.105 1.00 0.00 N ATOM 766 CA PHE A 51 19.425 -1.528 0.979 1.00 0.00 C ATOM 767 C PHE A 51 17.996 -1.025 1.159 1.00 0.00 C ATOM 768 O PHE A 51 17.192 -1.641 1.858 1.00 0.00 O ATOM 769 CB PHE A 51 19.541 -2.311 -0.330 1.00 0.00 C ATOM 770 CG PHE A 51 18.448 -3.323 -0.522 1.00 0.00 C ATOM 771 CD1 PHE A 51 18.541 -4.581 0.050 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.326 -3.016 -1.276 1.00 0.00 C ATOM 773 CE1 PHE A 51 17.537 -5.514 -0.125 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.319 -3.945 -1.454 1.00 0.00 C ATOM 775 CZ PHE A 51 16.424 -5.196 -0.879 1.00 0.00 C ATOM 0 H PHE A 51 19.065 -2.880 2.541 1.00 0.00 H new ATOM 0 HA PHE A 51 20.092 -0.667 0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.528 -1.611 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.505 -2.820 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.409 -4.836 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.238 -2.040 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.622 -6.491 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.450 -3.693 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.638 -5.924 -1.018 1.00 0.00 H new ATOM 785 N ASP A 52 17.686 0.100 0.522 1.00 0.00 N ATOM 786 CA ASP A 52 16.354 0.687 0.611 1.00 0.00 C ATOM 787 C ASP A 52 15.327 -0.186 -0.104 1.00 0.00 C ATOM 788 O ASP A 52 15.530 -0.593 -1.248 1.00 0.00 O ATOM 789 CB ASP A 52 16.353 2.093 0.009 1.00 0.00 C ATOM 790 CG ASP A 52 17.069 2.153 -1.325 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.318 2.182 -1.328 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.381 2.170 -2.367 1.00 0.00 O ATOM 0 H ASP A 52 18.339 0.623 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 52 16.081 0.750 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.324 2.429 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.830 2.783 0.705 1.00 0.00 H new ATOM 797 N CYS A 53 14.224 -0.472 0.580 1.00 0.00 N ATOM 798 CA CYS A 53 13.165 -1.299 0.013 1.00 0.00 C ATOM 799 C CYS A 53 11.893 -0.483 -0.198 1.00 0.00 C ATOM 800 O CYS A 53 11.627 0.472 0.532 1.00 0.00 O ATOM 801 CB CYS A 53 12.875 -2.490 0.927 1.00 0.00 C ATOM 802 SG CYS A 53 13.377 -4.099 0.234 1.00 0.00 S ATOM 0 H CYS A 53 14.040 -0.143 1.528 1.00 0.00 H new ATOM 0 HA CYS A 53 13.504 -1.668 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.389 -2.339 1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.807 -2.517 1.143 1.00 0.00 H new ATOM 807 N SER A 54 11.110 -0.867 -1.201 1.00 0.00 N ATOM 808 CA SER A 54 9.867 -0.170 -1.511 1.00 0.00 C ATOM 809 C SER A 54 10.147 1.245 -2.008 1.00 0.00 C ATOM 810 O SER A 54 10.102 1.515 -3.208 1.00 0.00 O ATOM 811 CB SER A 54 8.965 -0.120 -0.277 1.00 0.00 C ATOM 812 OG SER A 54 7.886 -1.032 -0.396 1.00 0.00 O ATOM 0 H SER A 54 11.314 -1.657 -1.813 1.00 0.00 H new ATOM 0 HA SER A 54 9.358 -0.720 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.548 -0.356 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.578 0.891 -0.146 1.00 0.00 H new ATOM 0 HG SER A 54 7.325 -0.982 0.406 1.00 0.00 H new ATOM 818 N LYS A 55 10.437 2.146 -1.076 1.00 0.00 N ATOM 819 CA LYS A 55 10.727 3.534 -1.416 1.00 0.00 C ATOM 820 C LYS A 55 11.448 4.236 -0.270 1.00 0.00 C ATOM 821 O LYS A 55 11.373 5.457 -0.132 1.00 0.00 O ATOM 822 CB LYS A 55 9.433 4.279 -1.751 1.00 0.00 C ATOM 823 CG LYS A 55 9.224 4.495 -3.240 1.00 0.00 C ATOM 824 CD LYS A 55 10.380 5.262 -3.860 1.00 0.00 C ATOM 825 CE LYS A 55 11.184 4.387 -4.809 1.00 0.00 C ATOM 826 NZ LYS A 55 12.518 4.976 -5.111 1.00 0.00 N ATOM 0 H LYS A 55 10.478 1.940 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 55 11.379 3.539 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.587 3.719 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.440 5.247 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.118 3.531 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.295 5.041 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.996 6.128 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.031 5.640 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.315 3.399 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.628 4.252 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.035 4.350 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.393 5.908 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.059 5.082 -4.229 1.00 0.00 H new