USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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 22 ASN : amide:sc= -0.186 K(o=-2.3,f=-3.6!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.07 K(o=-2.3,f=-4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.0085) USER MOD Single : A 11 TYR OH : rot 5:sc= -0.786 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.51 X(o=-2.5,f=-2.3!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.15) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0.729 (180deg=0.622) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.33 K(o=-2.3,f=-14!) USER MOD Single : A 48 GLN : amide:sc= -3.49! K(o=-3.5!,f=-1.5) USER MOD Single : A 53 TYR OH : rot 52:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.609 -2.984 -1.690 1.00 0.00 N ATOM 53 CA CYS A 4 8.353 -4.035 -2.375 1.00 0.00 C ATOM 54 C CYS A 4 8.997 -3.502 -3.652 1.00 0.00 C ATOM 55 O CYS A 4 8.372 -2.764 -4.414 1.00 0.00 O ATOM 56 CB CYS A 4 7.429 -5.208 -2.708 1.00 0.00 C ATOM 57 SG CYS A 4 5.725 -4.718 -3.124 1.00 0.00 S ATOM 0 HA CYS A 4 9.143 -4.381 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.851 -5.762 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.402 -5.888 -1.857 1.00 0.00 H new ATOM 62 N LYS A 5 10.250 -3.882 -3.879 1.00 0.00 N ATOM 63 CA LYS A 5 10.979 -3.445 -5.063 1.00 0.00 C ATOM 64 C LYS A 5 12.264 -4.248 -5.238 1.00 0.00 C ATOM 65 O LYS A 5 12.647 -5.025 -4.362 1.00 0.00 O ATOM 66 CB LYS A 5 11.308 -1.953 -4.964 1.00 0.00 C ATOM 67 CG LYS A 5 12.383 -1.634 -3.939 1.00 0.00 C ATOM 68 CD LYS A 5 11.848 -0.746 -2.828 1.00 0.00 C ATOM 69 CE LYS A 5 12.845 0.339 -2.453 1.00 0.00 C ATOM 70 NZ LYS A 5 12.769 0.687 -1.007 1.00 0.00 N ATOM 0 H LYS A 5 10.782 -4.492 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 5 10.344 -3.614 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.632 -1.595 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.401 -1.406 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.767 -2.561 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.220 -1.139 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.912 -0.287 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.623 -1.354 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.854 0.004 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.654 1.230 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.464 1.430 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.814 1.031 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.976 -0.157 -0.435 1.00 0.00 H new ATOM 84 N LYS A 6 12.927 -4.056 -6.373 1.00 0.00 N ATOM 85 CA LYS A 6 14.171 -4.760 -6.662 1.00 0.00 C ATOM 86 C LYS A 6 15.153 -3.852 -7.395 1.00 0.00 C ATOM 87 O LYS A 6 14.920 -3.467 -8.541 1.00 0.00 O ATOM 88 CB LYS A 6 13.891 -6.009 -7.500 1.00 0.00 C ATOM 89 CG LYS A 6 13.200 -7.119 -6.727 1.00 0.00 C ATOM 90 CD LYS A 6 13.190 -8.421 -7.509 1.00 0.00 C ATOM 91 CE LYS A 6 12.061 -9.334 -7.056 1.00 0.00 C ATOM 92 NZ LYS A 6 12.541 -10.381 -6.111 1.00 0.00 N ATOM 0 H LYS A 6 12.623 -3.418 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 6 14.619 -5.059 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.272 -5.732 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.832 -6.387 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.707 -7.270 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.176 -6.822 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.082 -8.207 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.145 -8.931 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.284 -8.740 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.607 -9.810 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.743 -10.983 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.265 -10.964 -6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.951 -9.928 -5.270 1.00 0.00 H new ATOM 106 N VAL A 7 16.251 -3.513 -6.728 1.00 0.00 N ATOM 107 CA VAL A 7 17.270 -2.653 -7.318 1.00 0.00 C ATOM 108 C VAL A 7 18.083 -3.403 -8.367 1.00 0.00 C ATOM 109 O VAL A 7 18.366 -4.591 -8.215 1.00 0.00 O ATOM 110 CB VAL A 7 18.225 -2.097 -6.245 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.092 -3.208 -5.674 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.084 -0.983 -6.823 1.00 0.00 C ATOM 0 H VAL A 7 16.458 -3.821 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 7 16.747 -1.823 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 7 17.629 -1.681 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.760 -2.796 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.457 -3.969 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.682 -3.657 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.753 -0.602 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.673 -1.371 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.443 -0.176 -7.178 1.00 0.00 H new ATOM 122 N TYR A 8 18.456 -2.701 -9.431 1.00 0.00 N ATOM 123 CA TYR A 8 19.236 -3.301 -10.507 1.00 0.00 C ATOM 124 C TYR A 8 20.632 -2.689 -10.575 1.00 0.00 C ATOM 125 O TYR A 8 20.843 -1.672 -11.235 1.00 0.00 O ATOM 126 CB TYR A 8 18.521 -3.117 -11.847 1.00 0.00 C ATOM 127 CG TYR A 8 18.877 -4.169 -12.873 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.949 -5.512 -12.523 1.00 0.00 C ATOM 129 CD2 TYR A 8 19.143 -3.821 -14.191 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.276 -6.477 -13.457 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.469 -4.778 -15.132 1.00 0.00 C ATOM 132 CZ TYR A 8 19.534 -6.105 -14.760 1.00 0.00 C ATOM 133 OH TYR A 8 19.859 -7.062 -15.694 1.00 0.00 O ATOM 0 H TYR A 8 18.231 -1.716 -9.572 1.00 0.00 H new ATOM 0 HA TYR A 8 19.336 -4.366 -10.299 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.444 -3.134 -11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.766 -2.133 -12.248 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.746 -5.807 -11.504 1.00 0.00 H new ATOM 0 HD2 TYR A 8 19.094 -2.783 -14.485 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.329 -7.516 -13.168 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.672 -4.489 -16.153 1.00 0.00 H new ATOM 0 HH TYR A 8 20.009 -6.634 -16.563 1.00 0.00 H new ATOM 143 N GLU A 9 21.580 -3.318 -9.888 1.00 0.00 N ATOM 144 CA GLU A 9 22.956 -2.836 -9.870 1.00 0.00 C ATOM 145 C GLU A 9 23.631 -3.064 -11.220 1.00 0.00 C ATOM 146 O GLU A 9 24.736 -2.581 -11.463 1.00 0.00 O ATOM 147 CB GLU A 9 23.751 -3.536 -8.766 1.00 0.00 C ATOM 148 CG GLU A 9 23.028 -3.579 -7.430 1.00 0.00 C ATOM 149 CD GLU A 9 23.835 -4.277 -6.352 1.00 0.00 C ATOM 150 OE1 GLU A 9 23.893 -5.524 -6.369 1.00 0.00 O ATOM 151 OE2 GLU A 9 24.409 -3.576 -5.493 1.00 0.00 O ATOM 0 H GLU A 9 21.421 -4.162 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 9 22.935 -1.765 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.975 -4.555 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.705 -3.025 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.804 -2.562 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.074 -4.092 -7.554 1.00 0.00 H new ATOM 158 N ASN A 10 22.957 -3.805 -12.094 1.00 0.00 N ATOM 159 CA ASN A 10 23.491 -4.099 -13.419 1.00 0.00 C ATOM 160 C ASN A 10 22.930 -3.133 -14.458 1.00 0.00 C ATOM 161 O ASN A 10 22.509 -3.543 -15.539 1.00 0.00 O ATOM 162 CB ASN A 10 23.161 -5.540 -13.816 1.00 0.00 C ATOM 163 CG ASN A 10 24.066 -6.548 -13.135 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.646 -7.417 -13.786 1.00 0.00 O ATOM 165 ND2 ASN A 10 24.190 -6.437 -11.817 1.00 0.00 N ATOM 0 H ASN A 10 22.041 -4.213 -11.909 1.00 0.00 H new ATOM 0 HA ASN A 10 24.574 -3.977 -13.383 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.124 -5.756 -13.560 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.252 -5.646 -14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.785 -7.088 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.690 -5.701 -11.318 1.00 0.00 H new ATOM 172 N TYR A 11 22.929 -1.847 -14.122 1.00 0.00 N ATOM 173 CA TYR A 11 22.420 -0.822 -15.025 1.00 0.00 C ATOM 174 C TYR A 11 23.161 0.496 -14.826 1.00 0.00 C ATOM 175 O TYR A 11 23.510 0.880 -13.709 1.00 0.00 O ATOM 176 CB TYR A 11 20.921 -0.616 -14.801 1.00 0.00 C ATOM 177 CG TYR A 11 20.113 -0.609 -16.080 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.958 -1.766 -16.833 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.506 0.555 -16.535 1.00 0.00 C ATOM 180 CE1 TYR A 11 19.222 -1.765 -18.002 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.767 0.566 -17.702 1.00 0.00 C ATOM 182 CZ TYR A 11 18.628 -0.596 -18.432 1.00 0.00 C ATOM 183 OH TYR A 11 17.894 -0.590 -19.596 1.00 0.00 O ATOM 0 H TYR A 11 23.275 -1.490 -13.231 1.00 0.00 H new ATOM 0 HA TYR A 11 22.585 -1.160 -16.048 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.548 -1.406 -14.149 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.767 0.328 -14.278 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.421 -2.683 -16.499 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.614 1.467 -15.966 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.112 -2.673 -18.576 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.301 1.479 -18.041 1.00 0.00 H new ATOM 0 HH TYR A 11 17.829 -1.503 -19.947 1.00 0.00 H new ATOM 193 N PRO A 12 23.407 1.209 -15.935 1.00 0.00 N ATOM 194 CA PRO A 12 24.108 2.496 -15.910 1.00 0.00 C ATOM 195 C PRO A 12 23.272 3.599 -15.270 1.00 0.00 C ATOM 196 O PRO A 12 22.161 3.887 -15.714 1.00 0.00 O ATOM 197 CB PRO A 12 24.347 2.798 -17.392 1.00 0.00 C ATOM 198 CG PRO A 12 23.274 2.055 -18.108 1.00 0.00 C ATOM 199 CD PRO A 12 23.020 0.813 -17.300 1.00 0.00 C ATOM 0 HA PRO A 12 25.021 2.451 -15.317 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.289 3.868 -17.592 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.336 2.468 -17.709 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.370 2.658 -18.191 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.583 1.804 -19.123 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.975 0.509 -17.349 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.614 -0.028 -17.658 1.00 0.00 H new ATOM 207 N VAL A 13 23.814 4.214 -14.223 1.00 0.00 N ATOM 208 CA VAL A 13 23.119 5.286 -13.522 1.00 0.00 C ATOM 209 C VAL A 13 22.814 6.449 -14.460 1.00 0.00 C ATOM 210 O VAL A 13 21.947 7.276 -14.179 1.00 0.00 O ATOM 211 CB VAL A 13 23.945 5.805 -12.330 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.382 4.652 -11.441 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.147 6.598 -12.820 1.00 0.00 C ATOM 0 H VAL A 13 24.733 3.987 -13.842 1.00 0.00 H new ATOM 0 HA VAL A 13 22.183 4.867 -13.151 1.00 0.00 H new ATOM 0 HB VAL A 13 23.317 6.471 -11.737 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.964 5.038 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.503 4.132 -11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.993 3.958 -12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.719 6.957 -11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.778 5.958 -13.436 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.806 7.448 -13.411 1.00 0.00 H new ATOM 223 N SER A 14 23.534 6.505 -15.576 1.00 0.00 N ATOM 224 CA SER A 14 23.343 7.569 -16.556 1.00 0.00 C ATOM 225 C SER A 14 21.956 7.485 -17.186 1.00 0.00 C ATOM 226 O SER A 14 21.212 8.465 -17.211 1.00 0.00 O ATOM 227 CB SER A 14 24.416 7.488 -17.643 1.00 0.00 C ATOM 228 OG SER A 14 25.212 8.660 -17.662 1.00 0.00 O ATOM 0 H SER A 14 24.254 5.827 -15.824 1.00 0.00 H new ATOM 0 HA SER A 14 23.431 8.525 -16.040 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.049 6.618 -17.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.943 7.350 -18.615 1.00 0.00 H new ATOM 0 HG SER A 14 25.891 8.583 -18.364 1.00 0.00 H new ATOM 234 N LYS A 15 21.615 6.306 -17.695 1.00 0.00 N ATOM 235 CA LYS A 15 20.318 6.090 -18.325 1.00 0.00 C ATOM 236 C LYS A 15 19.184 6.379 -17.347 1.00 0.00 C ATOM 237 O LYS A 15 18.064 6.692 -17.754 1.00 0.00 O ATOM 238 CB LYS A 15 20.210 4.652 -18.838 1.00 0.00 C ATOM 239 CG LYS A 15 20.385 4.528 -20.342 1.00 0.00 C ATOM 240 CD LYS A 15 19.776 3.240 -20.869 1.00 0.00 C ATOM 241 CE LYS A 15 20.801 2.407 -21.623 1.00 0.00 C ATOM 242 NZ LYS A 15 20.209 1.750 -22.822 1.00 0.00 N ATOM 0 H LYS A 15 22.220 5.485 -17.683 1.00 0.00 H new ATOM 0 HA LYS A 15 20.232 6.777 -19.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.963 4.040 -18.341 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.237 4.248 -18.559 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.918 5.381 -20.835 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.446 4.558 -20.590 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.374 2.660 -20.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.940 3.474 -21.528 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.631 3.043 -21.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.211 1.647 -20.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.940 1.192 -23.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.434 1.123 -22.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.840 2.476 -23.469 1.00 0.00 H new ATOM 256 N CYS A 16 19.480 6.274 -16.056 1.00 0.00 N ATOM 257 CA CYS A 16 18.486 6.525 -15.020 1.00 0.00 C ATOM 258 C CYS A 16 18.200 8.018 -14.891 1.00 0.00 C ATOM 259 O CYS A 16 17.047 8.445 -14.940 1.00 0.00 O ATOM 260 CB CYS A 16 18.966 5.968 -13.678 1.00 0.00 C ATOM 261 SG CYS A 16 18.341 4.300 -13.299 1.00 0.00 S ATOM 0 H CYS A 16 20.401 6.016 -15.702 1.00 0.00 H new ATOM 0 HA CYS A 16 17.563 6.020 -15.306 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.056 5.945 -13.675 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.659 6.648 -12.884 1.00 0.00 H new ATOM 266 N GLN A 17 19.258 8.806 -14.726 1.00 0.00 N ATOM 267 CA GLN A 17 19.120 10.251 -14.589 1.00 0.00 C ATOM 268 C GLN A 17 18.553 10.867 -15.864 1.00 0.00 C ATOM 269 O GLN A 17 18.104 12.014 -15.865 1.00 0.00 O ATOM 270 CB GLN A 17 20.473 10.885 -14.261 1.00 0.00 C ATOM 271 CG GLN A 17 21.026 10.471 -12.907 1.00 0.00 C ATOM 272 CD GLN A 17 22.370 9.779 -13.012 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.150 10.048 -13.926 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.649 8.881 -12.074 1.00 0.00 N ATOM 0 H GLN A 17 20.219 8.468 -14.684 1.00 0.00 H new ATOM 0 HA GLN A 17 18.426 10.448 -13.772 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.190 10.613 -15.036 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.372 11.970 -14.287 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.124 11.353 -12.274 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.316 9.805 -12.417 1.00 0.00 H new ATOM 0 HE21 GLN A 17 21.973 8.689 -11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.539 8.383 -12.093 1.00 0.00 H new ATOM 283 N LEU A 18 18.576 10.098 -16.947 1.00 0.00 N ATOM 284 CA LEU A 18 18.064 10.568 -18.230 1.00 0.00 C ATOM 285 C LEU A 18 16.548 10.729 -18.185 1.00 0.00 C ATOM 286 O LEU A 18 15.806 9.822 -18.564 1.00 0.00 O ATOM 287 CB LEU A 18 18.452 9.595 -19.344 1.00 0.00 C ATOM 288 CG LEU A 18 19.699 9.961 -20.151 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.254 8.735 -20.860 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.381 11.061 -21.153 1.00 0.00 C ATOM 0 H LEU A 18 18.943 9.147 -16.963 1.00 0.00 H new ATOM 0 HA LEU A 18 18.509 11.542 -18.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.606 8.611 -18.902 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.611 9.508 -20.032 1.00 0.00 H new ATOM 0 HG LEU A 18 20.459 10.332 -19.463 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.141 9.014 -21.429 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.520 7.977 -20.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.500 8.334 -21.537 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.279 11.309 -21.718 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.605 10.717 -21.837 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.030 11.946 -20.622 1.00 0.00 H new ATOM 302 N ARG A 19 16.094 11.889 -17.721 1.00 0.00 N ATOM 303 CA ARG A 19 14.666 12.169 -17.628 1.00 0.00 C ATOM 304 C ARG A 19 14.028 12.205 -19.013 1.00 0.00 C ATOM 305 O ARG A 19 12.820 12.011 -19.156 1.00 0.00 O ATOM 306 CB ARG A 19 14.432 13.500 -16.911 1.00 0.00 C ATOM 307 CG ARG A 19 13.739 13.354 -15.566 1.00 0.00 C ATOM 308 CD ARG A 19 12.266 13.018 -15.732 1.00 0.00 C ATOM 309 NE ARG A 19 11.409 13.927 -14.975 1.00 0.00 N ATOM 310 CZ ARG A 19 11.309 13.912 -13.651 1.00 0.00 C ATOM 311 NH1 ARG A 19 12.009 13.038 -12.940 1.00 0.00 N ATOM 312 NH2 ARG A 19 10.507 14.771 -13.035 1.00 0.00 N ATOM 0 H ARG A 19 16.694 12.650 -17.404 1.00 0.00 H new ATOM 0 HA ARG A 19 14.200 11.368 -17.054 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.391 13.997 -16.764 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.832 14.147 -17.551 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.229 12.572 -14.986 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.841 14.280 -15.001 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.000 13.064 -16.788 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.088 11.994 -15.403 1.00 0.00 H new ATOM 0 HE ARG A 19 10.857 14.611 -15.492 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.626 12.376 -13.410 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.931 13.028 -11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.966 15.444 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.431 14.758 -12.018 1.00 0.00 H new ATOM 326 N ILE A 20 14.846 12.454 -20.030 1.00 0.00 N ATOM 327 CA ILE A 20 14.361 12.515 -21.403 1.00 0.00 C ATOM 328 C ILE A 20 14.154 11.117 -21.975 1.00 0.00 C ATOM 329 O ILE A 20 13.300 10.907 -22.835 1.00 0.00 O ATOM 330 CB ILE A 20 15.335 13.290 -22.310 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.790 14.579 -21.624 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.681 13.598 -23.649 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.748 15.402 -22.456 1.00 0.00 C ATOM 0 H ILE A 20 15.848 12.617 -19.929 1.00 0.00 H new ATOM 0 HA ILE A 20 13.406 13.040 -21.378 1.00 0.00 H new ATOM 0 HB ILE A 20 16.212 12.668 -22.491 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.914 15.184 -21.388 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.268 14.328 -20.677 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.382 14.146 -24.279 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.403 12.666 -24.141 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.789 14.203 -23.488 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.028 16.301 -21.906 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.641 14.815 -22.670 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.267 15.684 -23.392 1.00 0.00 H new ATOM 345 N ALA A 21 14.942 10.162 -21.490 1.00 0.00 N ATOM 346 CA ALA A 21 14.842 8.783 -21.950 1.00 0.00 C ATOM 347 C ALA A 21 15.135 7.804 -20.818 1.00 0.00 C ATOM 348 O ALA A 21 16.248 7.295 -20.697 1.00 0.00 O ATOM 349 CB ALA A 21 15.792 8.545 -23.115 1.00 0.00 C ATOM 0 H ALA A 21 15.656 10.319 -20.779 1.00 0.00 H new ATOM 0 HA ALA A 21 13.820 8.612 -22.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.707 7.511 -23.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.535 9.214 -23.937 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.816 8.740 -22.795 1.00 0.00 H new ATOM 355 N ASN A 22 14.128 7.545 -19.990 1.00 0.00 N ATOM 356 CA ASN A 22 14.278 6.628 -18.866 1.00 0.00 C ATOM 357 C ASN A 22 14.094 5.182 -19.316 1.00 0.00 C ATOM 358 O ASN A 22 12.993 4.637 -19.251 1.00 0.00 O ATOM 359 CB ASN A 22 13.268 6.964 -17.768 1.00 0.00 C ATOM 360 CG ASN A 22 13.812 6.691 -16.379 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.012 6.818 -16.134 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.929 6.314 -15.461 1.00 0.00 N ATOM 0 H ASN A 22 13.199 7.957 -20.076 1.00 0.00 H new ATOM 0 HA ASN A 22 15.287 6.741 -18.469 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.987 8.014 -17.845 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.361 6.380 -17.921 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.236 6.117 -14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.944 6.222 -15.709 1.00 0.00 H new ATOM 369 N GLN A 23 15.181 4.567 -19.772 1.00 0.00 N ATOM 370 CA GLN A 23 15.139 3.184 -20.233 1.00 0.00 C ATOM 371 C GLN A 23 15.054 2.220 -19.054 1.00 0.00 C ATOM 372 O GLN A 23 14.912 1.011 -19.237 1.00 0.00 O ATOM 373 CB GLN A 23 16.375 2.868 -21.077 1.00 0.00 C ATOM 374 CG GLN A 23 16.055 2.551 -22.529 1.00 0.00 C ATOM 375 CD GLN A 23 15.600 1.119 -22.727 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.298 0.176 -22.354 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.422 0.948 -23.316 1.00 0.00 N ATOM 0 H GLN A 23 16.101 5.004 -19.832 1.00 0.00 H new ATOM 0 HA GLN A 23 14.247 3.059 -20.847 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.056 3.718 -21.041 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.899 2.020 -20.636 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.277 3.228 -22.882 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.938 2.735 -23.140 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.876 1.758 -23.609 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.063 0.007 -23.475 1.00 0.00 H new ATOM 386 N CYS A 24 15.143 2.763 -17.844 1.00 0.00 N ATOM 387 CA CYS A 24 15.076 1.952 -16.635 1.00 0.00 C ATOM 388 C CYS A 24 13.693 1.328 -16.473 1.00 0.00 C ATOM 389 O CYS A 24 13.545 0.107 -16.492 1.00 0.00 O ATOM 390 CB CYS A 24 15.412 2.801 -15.407 1.00 0.00 C ATOM 391 SG CYS A 24 14.962 2.025 -13.821 1.00 0.00 S ATOM 0 H CYS A 24 15.262 3.762 -17.675 1.00 0.00 H new ATOM 0 HA CYS A 24 15.808 1.150 -16.725 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.481 3.012 -15.406 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.899 3.759 -15.489 1.00 0.00 H new ATOM 396 N ASN A 25 12.683 2.177 -16.314 1.00 0.00 N ATOM 397 CA ASN A 25 11.311 1.710 -16.149 1.00 0.00 C ATOM 398 C ASN A 25 10.908 0.788 -17.296 1.00 0.00 C ATOM 399 O ASN A 25 10.212 -0.207 -17.092 1.00 0.00 O ATOM 400 CB ASN A 25 10.351 2.898 -16.073 1.00 0.00 C ATOM 401 CG ASN A 25 10.226 3.625 -17.399 1.00 0.00 C ATOM 402 OD1 ASN A 25 10.944 4.590 -17.661 1.00 0.00 O ATOM 403 ND2 ASN A 25 9.309 3.164 -18.242 1.00 0.00 N ATOM 0 H ASN A 25 12.788 3.191 -16.296 1.00 0.00 H new ATOM 0 HA ASN A 25 11.255 1.147 -15.217 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.368 2.548 -15.759 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.699 3.595 -15.311 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.178 3.613 -19.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.736 2.361 -17.983 1.00 0.00 H new ATOM 410 N TYR A 26 11.351 1.126 -18.502 1.00 0.00 N ATOM 411 CA TYR A 26 11.035 0.330 -19.682 1.00 0.00 C ATOM 412 C TYR A 26 11.780 -1.001 -19.657 1.00 0.00 C ATOM 413 O TYR A 26 11.246 -2.032 -20.064 1.00 0.00 O ATOM 414 CB TYR A 26 11.391 1.103 -20.954 1.00 0.00 C ATOM 415 CG TYR A 26 10.338 1.007 -22.035 1.00 0.00 C ATOM 416 CD1 TYR A 26 10.034 -0.211 -22.630 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.647 2.135 -22.460 1.00 0.00 C ATOM 418 CE1 TYR A 26 9.073 -0.302 -23.619 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.683 2.053 -23.446 1.00 0.00 C ATOM 420 CZ TYR A 26 8.401 0.832 -24.023 1.00 0.00 C ATOM 421 OH TYR A 26 7.442 0.745 -25.007 1.00 0.00 O ATOM 0 H TYR A 26 11.930 1.945 -18.688 1.00 0.00 H new ATOM 0 HA TYR A 26 9.964 0.126 -19.676 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.545 2.152 -20.701 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.337 0.727 -21.345 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.557 -1.101 -22.314 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.867 3.093 -22.012 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.850 -1.256 -24.073 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.153 2.939 -23.763 1.00 0.00 H new ATOM 0 HH TYR A 26 7.063 1.633 -25.174 1.00 0.00 H new ATOM 431 N ASP A 27 13.018 -0.969 -19.176 1.00 0.00 N ATOM 432 CA ASP A 27 13.838 -2.172 -19.095 1.00 0.00 C ATOM 433 C ASP A 27 13.288 -3.135 -18.047 1.00 0.00 C ATOM 434 O ASP A 27 13.220 -4.344 -18.274 1.00 0.00 O ATOM 435 CB ASP A 27 15.285 -1.808 -18.761 1.00 0.00 C ATOM 436 CG ASP A 27 16.074 -2.991 -18.236 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.656 -3.728 -19.060 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.110 -3.181 -17.002 1.00 0.00 O ATOM 0 H ASP A 27 13.476 -0.123 -18.836 1.00 0.00 H new ATOM 0 HA ASP A 27 13.811 -2.666 -20.066 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.773 -1.417 -19.654 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.294 -1.011 -18.018 1.00 0.00 H new ATOM 443 N CYS A 28 12.899 -2.592 -16.898 1.00 0.00 N ATOM 444 CA CYS A 28 12.357 -3.402 -15.814 1.00 0.00 C ATOM 445 C CYS A 28 11.224 -4.293 -16.314 1.00 0.00 C ATOM 446 O CYS A 28 11.286 -5.518 -16.202 1.00 0.00 O ATOM 447 CB CYS A 28 11.853 -2.504 -14.682 1.00 0.00 C ATOM 448 SG CYS A 28 13.163 -1.912 -13.563 1.00 0.00 S ATOM 0 H CYS A 28 12.949 -1.594 -16.694 1.00 0.00 H new ATOM 0 HA CYS A 28 13.156 -4.039 -15.435 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.343 -1.643 -15.115 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.113 -3.053 -14.099 1.00 0.00 H new ATOM 453 N LYS A 29 10.189 -3.670 -16.867 1.00 0.00 N ATOM 454 CA LYS A 29 9.042 -4.405 -17.387 1.00 0.00 C ATOM 455 C LYS A 29 9.455 -5.314 -18.540 1.00 0.00 C ATOM 456 O LYS A 29 8.857 -6.368 -18.758 1.00 0.00 O ATOM 457 CB LYS A 29 7.956 -3.432 -17.854 1.00 0.00 C ATOM 458 CG LYS A 29 7.583 -2.392 -16.812 1.00 0.00 C ATOM 459 CD LYS A 29 6.923 -1.179 -17.447 1.00 0.00 C ATOM 460 CE LYS A 29 5.483 -1.471 -17.841 1.00 0.00 C ATOM 461 NZ LYS A 29 4.513 -0.718 -16.999 1.00 0.00 N ATOM 0 H LYS A 29 10.121 -2.657 -16.967 1.00 0.00 H new ATOM 0 HA LYS A 29 8.645 -5.025 -16.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.298 -2.924 -18.756 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.065 -3.998 -18.125 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.907 -2.834 -16.081 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.477 -2.080 -16.272 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.948 -0.343 -16.749 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.488 -0.875 -18.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.333 -1.210 -18.889 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.291 -2.540 -17.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.562 -0.795 -17.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.506 -1.115 -16.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.792 0.283 -16.958 1.00 0.00 H new ATOM 475 N LEU A 30 10.481 -4.900 -19.275 1.00 0.00 N ATOM 476 CA LEU A 30 10.975 -5.678 -20.406 1.00 0.00 C ATOM 477 C LEU A 30 11.302 -7.106 -19.982 1.00 0.00 C ATOM 478 O LEU A 30 10.833 -8.068 -20.591 1.00 0.00 O ATOM 479 CB LEU A 30 12.217 -5.014 -21.003 1.00 0.00 C ATOM 480 CG LEU A 30 12.496 -5.315 -22.476 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.790 -6.794 -22.672 1.00 0.00 C ATOM 482 CD2 LEU A 30 11.321 -4.884 -23.341 1.00 0.00 C ATOM 0 H LEU A 30 10.987 -4.030 -19.108 1.00 0.00 H new ATOM 0 HA LEU A 30 10.191 -5.713 -21.162 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.120 -3.935 -20.885 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.085 -5.321 -20.419 1.00 0.00 H new ATOM 0 HG LEU A 30 13.374 -4.747 -22.783 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.986 -6.989 -23.726 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.664 -7.073 -22.083 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.931 -7.382 -22.348 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.538 -5.106 -24.386 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.425 -5.424 -23.033 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.157 -3.813 -23.224 1.00 0.00 H new ATOM 494 N ASP A 31 12.108 -7.237 -18.934 1.00 0.00 N ATOM 495 CA ASP A 31 12.496 -8.548 -18.427 1.00 0.00 C ATOM 496 C ASP A 31 11.828 -8.830 -17.084 1.00 0.00 C ATOM 497 O ASP A 31 10.954 -9.690 -16.981 1.00 0.00 O ATOM 498 CB ASP A 31 14.016 -8.634 -18.283 1.00 0.00 C ATOM 499 CG ASP A 31 14.658 -9.439 -19.396 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.065 -10.457 -19.810 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.754 -9.051 -19.852 1.00 0.00 O ATOM 0 H ASP A 31 12.505 -6.451 -18.419 1.00 0.00 H new ATOM 0 HA ASP A 31 12.164 -9.300 -19.143 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.435 -7.628 -18.278 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.262 -9.087 -17.322 1.00 0.00 H new ATOM 506 N LYS A 32 12.248 -8.100 -16.056 1.00 0.00 N ATOM 507 CA LYS A 32 11.692 -8.270 -14.719 1.00 0.00 C ATOM 508 C LYS A 32 10.167 -8.272 -14.760 1.00 0.00 C ATOM 509 O LYS A 32 9.515 -8.927 -13.946 1.00 0.00 O ATOM 510 CB LYS A 32 12.187 -7.157 -13.793 1.00 0.00 C ATOM 511 CG LYS A 32 13.693 -6.963 -13.826 1.00 0.00 C ATOM 512 CD LYS A 32 14.254 -6.714 -12.436 1.00 0.00 C ATOM 513 CE LYS A 32 15.706 -6.266 -12.493 1.00 0.00 C ATOM 514 NZ LYS A 32 16.180 -5.752 -11.178 1.00 0.00 N ATOM 0 H LYS A 32 12.972 -7.385 -16.124 1.00 0.00 H new ATOM 0 HA LYS A 32 12.028 -9.232 -14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.702 -6.221 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.880 -7.382 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.165 -7.846 -14.257 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.938 -6.122 -14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.657 -5.954 -11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.176 -7.625 -11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.332 -7.103 -12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.817 -5.488 -13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.163 -5.425 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.578 -4.959 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.131 -6.512 -10.470 1.00 0.00 H new ATOM 528 N HIS A 33 9.604 -7.536 -15.713 1.00 0.00 N ATOM 529 CA HIS A 33 8.156 -7.454 -15.861 1.00 0.00 C ATOM 530 C HIS A 33 7.522 -6.788 -14.643 1.00 0.00 C ATOM 531 O HIS A 33 6.401 -7.116 -14.257 1.00 0.00 O ATOM 532 CB HIS A 33 7.563 -8.849 -16.059 1.00 0.00 C ATOM 533 CG HIS A 33 6.495 -8.903 -17.109 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.698 -9.442 -18.361 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.209 -8.481 -17.086 1.00 0.00 C ATOM 536 CE1 HIS A 33 5.583 -9.349 -19.064 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.664 -8.770 -18.312 1.00 0.00 N ATOM 0 H HIS A 33 10.129 -6.988 -16.394 1.00 0.00 H new ATOM 0 HA HIS A 33 7.939 -6.847 -16.740 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.362 -9.539 -16.329 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.148 -9.196 -15.113 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.706 -8.005 -16.257 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.446 -9.688 -20.080 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.705 -8.570 -18.596 1.00 0.00 H new ATOM 545 N ALA A 34 8.248 -5.851 -14.042 1.00 0.00 N ATOM 546 CA ALA A 34 7.757 -5.138 -12.870 1.00 0.00 C ATOM 547 C ALA A 34 6.451 -4.412 -13.177 1.00 0.00 C ATOM 548 O ALA A 34 5.875 -4.579 -14.251 1.00 0.00 O ATOM 549 CB ALA A 34 8.805 -4.154 -12.372 1.00 0.00 C ATOM 0 H ALA A 34 9.179 -5.568 -14.348 1.00 0.00 H new ATOM 0 HA ALA A 34 7.561 -5.870 -12.086 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.424 -3.629 -11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.713 -4.694 -12.105 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.030 -3.433 -13.158 1.00 0.00 H new ATOM 555 N ARG A 35 5.990 -3.606 -12.225 1.00 0.00 N ATOM 556 CA ARG A 35 4.751 -2.857 -12.393 1.00 0.00 C ATOM 557 C ARG A 35 4.976 -1.622 -13.261 1.00 0.00 C ATOM 558 O ARG A 35 4.318 -1.443 -14.286 1.00 0.00 O ATOM 559 CB ARG A 35 4.193 -2.441 -11.031 1.00 0.00 C ATOM 560 CG ARG A 35 4.448 -3.459 -9.932 1.00 0.00 C ATOM 561 CD ARG A 35 4.049 -4.860 -10.366 1.00 0.00 C ATOM 562 NE ARG A 35 2.822 -4.859 -11.159 1.00 0.00 N ATOM 563 CZ ARG A 35 2.469 -5.851 -11.969 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.246 -6.918 -12.092 1.00 0.00 N ATOM 565 NH2 ARG A 35 1.337 -5.776 -12.657 1.00 0.00 N ATOM 0 H ARG A 35 6.456 -3.456 -11.330 1.00 0.00 H new ATOM 0 HA ARG A 35 4.029 -3.504 -12.891 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.636 -1.488 -10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.119 -2.278 -11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.504 -3.448 -9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.888 -3.180 -9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.857 -5.303 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.911 -5.487 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 35 2.202 -4.052 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.117 -6.978 -11.564 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.973 -7.679 -12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.737 -4.956 -12.564 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.067 -6.538 -13.279 1.00 0.00 H new ATOM 579 N SER A 36 5.910 -0.773 -12.843 1.00 0.00 N ATOM 580 CA SER A 36 6.219 0.447 -13.580 1.00 0.00 C ATOM 581 C SER A 36 7.727 0.621 -13.733 1.00 0.00 C ATOM 582 O SER A 36 8.230 0.833 -14.836 1.00 0.00 O ATOM 583 CB SER A 36 5.623 1.662 -12.867 1.00 0.00 C ATOM 584 OG SER A 36 5.178 1.323 -11.566 1.00 0.00 O ATOM 0 H SER A 36 6.466 -0.908 -11.998 1.00 0.00 H new ATOM 0 HA SER A 36 5.778 0.365 -14.573 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.370 2.453 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.789 2.056 -13.449 1.00 0.00 H new ATOM 0 HG SER A 36 4.803 2.117 -11.131 1.00 0.00 H new ATOM 590 N GLY A 37 8.444 0.531 -12.617 1.00 0.00 N ATOM 591 CA GLY A 37 9.887 0.681 -12.648 1.00 0.00 C ATOM 592 C GLY A 37 10.320 2.132 -12.570 1.00 0.00 C ATOM 593 O GLY A 37 9.780 2.986 -13.272 1.00 0.00 O ATOM 0 H GLY A 37 8.051 0.357 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.325 0.129 -11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.276 0.238 -13.565 1.00 0.00 H new ATOM 597 N GLU A 38 11.297 2.411 -11.713 1.00 0.00 N ATOM 598 CA GLU A 38 11.800 3.769 -11.545 1.00 0.00 C ATOM 599 C GLU A 38 13.222 3.758 -10.991 1.00 0.00 C ATOM 600 O GLU A 38 13.701 2.736 -10.500 1.00 0.00 O ATOM 601 CB GLU A 38 10.884 4.565 -10.612 1.00 0.00 C ATOM 602 CG GLU A 38 9.633 5.093 -11.293 1.00 0.00 C ATOM 603 CD GLU A 38 8.895 6.113 -10.448 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.173 5.702 -9.516 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.040 7.323 -10.719 1.00 0.00 O ATOM 0 H GLU A 38 11.756 1.715 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 38 11.813 4.247 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.592 3.931 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.443 5.404 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.906 5.546 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.966 4.260 -11.515 1.00 0.00 H new ATOM 612 N CYS A 39 13.892 4.903 -11.074 1.00 0.00 N ATOM 613 CA CYS A 39 15.259 5.027 -10.583 1.00 0.00 C ATOM 614 C CYS A 39 15.304 5.853 -9.301 1.00 0.00 C ATOM 615 O CYS A 39 14.619 6.869 -9.180 1.00 0.00 O ATOM 616 CB CYS A 39 16.149 5.670 -11.649 1.00 0.00 C ATOM 617 SG CYS A 39 16.265 4.716 -13.196 1.00 0.00 S ATOM 0 H CYS A 39 13.510 5.759 -11.477 1.00 0.00 H new ATOM 0 HA CYS A 39 15.632 4.027 -10.363 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.765 6.664 -11.876 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.151 5.801 -11.240 1.00 0.00 H new ATOM 622 N PHE A 40 16.115 5.410 -8.346 1.00 0.00 N ATOM 623 CA PHE A 40 16.249 6.107 -7.073 1.00 0.00 C ATOM 624 C PHE A 40 17.653 5.928 -6.500 1.00 0.00 C ATOM 625 O PHE A 40 18.364 4.988 -6.854 1.00 0.00 O ATOM 626 CB PHE A 40 15.210 5.594 -6.074 1.00 0.00 C ATOM 627 CG PHE A 40 13.792 5.854 -6.498 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.218 7.102 -6.315 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.034 4.850 -7.078 1.00 0.00 C ATOM 630 CE1 PHE A 40 11.914 7.344 -6.704 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.730 5.087 -7.470 1.00 0.00 C ATOM 632 CZ PHE A 40 11.169 6.335 -7.281 1.00 0.00 C ATOM 0 H PHE A 40 16.689 4.571 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 40 16.080 7.169 -7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.349 4.522 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.384 6.065 -5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.796 7.895 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.467 3.872 -7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.478 8.321 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.150 4.297 -7.924 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.149 6.521 -7.584 1.00 0.00 H new ATOM 642 N TYR A 41 18.044 6.838 -5.615 1.00 0.00 N ATOM 643 CA TYR A 41 19.362 6.784 -4.995 1.00 0.00 C ATOM 644 C TYR A 41 19.388 5.767 -3.858 1.00 0.00 C ATOM 645 O TYR A 41 18.361 5.481 -3.242 1.00 0.00 O ATOM 646 CB TYR A 41 19.759 8.164 -4.469 1.00 0.00 C ATOM 647 CG TYR A 41 20.155 9.136 -5.557 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.456 9.173 -6.042 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.228 10.018 -6.099 1.00 0.00 C ATOM 650 CE1 TYR A 41 21.823 10.060 -7.036 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.585 10.907 -7.094 1.00 0.00 C ATOM 652 CZ TYR A 41 20.884 10.924 -7.559 1.00 0.00 C ATOM 653 OH TYR A 41 21.244 11.810 -8.549 1.00 0.00 O ATOM 0 H TYR A 41 17.467 7.622 -5.311 1.00 0.00 H new ATOM 0 HA TYR A 41 20.080 6.472 -5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 41 18.925 8.582 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.590 8.053 -3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.193 8.497 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.211 10.008 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 41 22.839 10.077 -7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 41 18.852 11.585 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 41 20.465 12.346 -8.808 1.00 0.00 H new ATOM 663 N ASP A 42 20.570 5.225 -3.584 1.00 0.00 N ATOM 664 CA ASP A 42 20.732 4.241 -2.520 1.00 0.00 C ATOM 665 C ASP A 42 21.235 4.902 -1.241 1.00 0.00 C ATOM 666 O ASP A 42 21.248 6.128 -1.128 1.00 0.00 O ATOM 667 CB ASP A 42 21.703 3.142 -2.956 1.00 0.00 C ATOM 668 CG ASP A 42 21.153 1.752 -2.706 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.001 1.488 -3.109 1.00 0.00 O ATOM 670 OD2 ASP A 42 21.874 0.927 -2.107 1.00 0.00 O ATOM 0 H ASP A 42 21.430 5.451 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 42 19.758 3.796 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.924 3.257 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.645 3.259 -2.419 1.00 0.00 H new ATOM 675 N GLU A 43 21.647 4.082 -0.279 1.00 0.00 N ATOM 676 CA GLU A 43 22.148 4.588 0.993 1.00 0.00 C ATOM 677 C GLU A 43 23.426 5.397 0.791 1.00 0.00 C ATOM 678 O GLU A 43 23.694 6.351 1.523 1.00 0.00 O ATOM 679 CB GLU A 43 22.411 3.432 1.960 1.00 0.00 C ATOM 680 CG GLU A 43 21.223 2.501 2.132 1.00 0.00 C ATOM 681 CD GLU A 43 20.858 2.285 3.588 1.00 0.00 C ATOM 682 OE1 GLU A 43 20.791 3.281 4.338 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.638 1.119 3.977 1.00 0.00 O ATOM 0 H GLU A 43 21.644 3.065 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 43 21.387 5.242 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.264 2.856 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.687 3.839 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.364 2.913 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.450 1.539 1.672 1.00 0.00 H new ATOM 690 N LYS A 44 24.213 5.010 -0.208 1.00 0.00 N ATOM 691 CA LYS A 44 25.463 5.698 -0.509 1.00 0.00 C ATOM 692 C LYS A 44 25.271 6.707 -1.636 1.00 0.00 C ATOM 693 O LYS A 44 26.221 7.061 -2.334 1.00 0.00 O ATOM 694 CB LYS A 44 26.545 4.687 -0.894 1.00 0.00 C ATOM 695 CG LYS A 44 27.400 4.234 0.277 1.00 0.00 C ATOM 696 CD LYS A 44 28.856 4.629 0.089 1.00 0.00 C ATOM 697 CE LYS A 44 29.678 3.477 -0.468 1.00 0.00 C ATOM 698 NZ LYS A 44 30.991 3.348 0.221 1.00 0.00 N ATOM 0 H LYS A 44 24.007 4.223 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 44 25.778 6.235 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.071 3.815 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.189 5.129 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.019 4.673 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.326 3.152 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 44 28.918 5.482 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.274 4.947 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.119 2.547 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.841 3.630 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.521 2.552 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.535 4.226 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.836 3.176 1.235 1.00 0.00 H new ATOM 712 N ARG A 45 24.036 7.169 -1.807 1.00 0.00 N ATOM 713 CA ARG A 45 23.720 8.138 -2.849 1.00 0.00 C ATOM 714 C ARG A 45 23.989 7.555 -4.233 1.00 0.00 C ATOM 715 O ARG A 45 24.496 8.243 -5.119 1.00 0.00 O ATOM 716 CB ARG A 45 24.540 9.415 -2.653 1.00 0.00 C ATOM 717 CG ARG A 45 24.443 9.991 -1.249 1.00 0.00 C ATOM 718 CD ARG A 45 23.637 11.280 -1.231 1.00 0.00 C ATOM 719 NE ARG A 45 23.883 12.062 -0.021 1.00 0.00 N ATOM 720 CZ ARG A 45 23.368 11.760 1.166 1.00 0.00 C ATOM 721 NH1 ARG A 45 22.584 10.700 1.302 1.00 0.00 N ATOM 722 NH2 ARG A 45 23.638 12.520 2.219 1.00 0.00 N ATOM 0 H ARG A 45 23.238 6.887 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 45 22.660 8.380 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.585 9.204 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.205 10.166 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.979 9.261 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.444 10.181 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.889 11.878 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.575 11.045 -1.301 1.00 0.00 H new ATOM 0 HE ARG A 45 24.483 12.884 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.375 10.114 0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.190 10.471 2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.241 13.336 2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.243 12.288 3.130 1.00 0.00 H new ATOM 736 N ASN A 46 23.647 6.283 -4.411 1.00 0.00 N ATOM 737 CA ASN A 46 23.853 5.608 -5.687 1.00 0.00 C ATOM 738 C ASN A 46 22.526 5.390 -6.407 1.00 0.00 C ATOM 739 O ASN A 46 21.703 4.577 -5.984 1.00 0.00 O ATOM 740 CB ASN A 46 24.555 4.266 -5.469 1.00 0.00 C ATOM 741 CG ASN A 46 25.277 4.200 -4.138 1.00 0.00 C ATOM 742 OD1 ASN A 46 24.650 4.109 -3.082 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.604 4.247 -4.181 1.00 0.00 N ATOM 0 H ASN A 46 23.226 5.699 -3.688 1.00 0.00 H new ATOM 0 HA ASN A 46 24.483 6.243 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.820 3.462 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.269 4.098 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.144 4.208 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 46 27.083 4.323 -5.078 1.00 0.00 H new ATOM 750 N LEU A 47 22.325 6.120 -7.498 1.00 0.00 N ATOM 751 CA LEU A 47 21.098 6.007 -8.279 1.00 0.00 C ATOM 752 C LEU A 47 21.081 4.710 -9.083 1.00 0.00 C ATOM 753 O LEU A 47 21.867 4.537 -10.013 1.00 0.00 O ATOM 754 CB LEU A 47 20.956 7.205 -9.220 1.00 0.00 C ATOM 755 CG LEU A 47 19.655 7.999 -9.104 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.704 9.237 -9.986 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.463 7.127 -9.471 1.00 0.00 C ATOM 0 H LEU A 47 22.996 6.797 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 47 20.256 5.995 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.790 7.884 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.051 6.849 -10.246 1.00 0.00 H new ATOM 0 HG LEU A 47 19.540 8.320 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.769 9.789 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.534 9.872 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.844 8.938 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.546 7.709 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.572 6.775 -10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.417 6.272 -8.797 1.00 0.00 H new ATOM 769 N GLN A 48 20.180 3.805 -8.717 1.00 0.00 N ATOM 770 CA GLN A 48 20.060 2.525 -9.405 1.00 0.00 C ATOM 771 C GLN A 48 18.641 2.315 -9.923 1.00 0.00 C ATOM 772 O GLN A 48 17.697 2.948 -9.450 1.00 0.00 O ATOM 773 CB GLN A 48 20.449 1.380 -8.468 1.00 0.00 C ATOM 774 CG GLN A 48 21.882 1.462 -7.969 1.00 0.00 C ATOM 775 CD GLN A 48 22.088 0.723 -6.661 1.00 0.00 C ATOM 776 OE1 GLN A 48 23.002 -0.092 -6.533 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.237 1.004 -5.682 1.00 0.00 N ATOM 0 H GLN A 48 19.522 3.934 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 48 20.740 2.535 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.775 1.377 -7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.308 0.432 -8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.550 1.048 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.158 2.508 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.494 1.687 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.326 0.537 -4.779 1.00 0.00 H new ATOM 786 N CYS A 49 18.498 1.423 -10.897 1.00 0.00 N ATOM 787 CA CYS A 49 17.194 1.129 -11.480 1.00 0.00 C ATOM 788 C CYS A 49 16.392 0.197 -10.576 1.00 0.00 C ATOM 789 O CYS A 49 16.544 -1.023 -10.635 1.00 0.00 O ATOM 790 CB CYS A 49 17.361 0.498 -12.863 1.00 0.00 C ATOM 791 SG CYS A 49 15.793 0.215 -13.746 1.00 0.00 S ATOM 0 H CYS A 49 19.269 0.891 -11.300 1.00 0.00 H new ATOM 0 HA CYS A 49 16.648 2.067 -11.580 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.996 1.143 -13.470 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.882 -0.453 -12.756 1.00 0.00 H new ATOM 796 N ILE A 50 15.538 0.781 -9.742 1.00 0.00 N ATOM 797 CA ILE A 50 14.711 0.003 -8.828 1.00 0.00 C ATOM 798 C ILE A 50 13.366 -0.339 -9.460 1.00 0.00 C ATOM 799 O ILE A 50 12.620 0.548 -9.876 1.00 0.00 O ATOM 800 CB ILE A 50 14.469 0.757 -7.507 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.759 0.820 -6.687 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.360 0.087 -6.710 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.316 2.219 -6.544 1.00 0.00 C ATOM 0 H ILE A 50 15.401 1.790 -9.680 1.00 0.00 H new ATOM 0 HA ILE A 50 15.255 -0.918 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 50 14.158 1.776 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.570 0.410 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.510 0.185 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.201 0.631 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.440 0.090 -7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.644 -0.941 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.230 2.188 -5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.537 2.625 -7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.583 2.854 -6.047 1.00 0.00 H new ATOM 815 N CYS A 51 13.060 -1.630 -9.526 1.00 0.00 N ATOM 816 CA CYS A 51 11.804 -2.091 -10.105 1.00 0.00 C ATOM 817 C CYS A 51 10.792 -2.426 -9.013 1.00 0.00 C ATOM 818 O CYS A 51 11.163 -2.691 -7.869 1.00 0.00 O ATOM 819 CB CYS A 51 12.044 -3.317 -10.987 1.00 0.00 C ATOM 820 SG CYS A 51 13.481 -3.166 -12.096 1.00 0.00 S ATOM 0 H CYS A 51 13.666 -2.377 -9.185 1.00 0.00 H new ATOM 0 HA CYS A 51 11.398 -1.286 -10.717 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.182 -4.189 -10.348 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.153 -3.499 -11.588 1.00 0.00 H new ATOM 825 N ASP A 52 9.514 -2.413 -9.374 1.00 0.00 N ATOM 826 CA ASP A 52 8.448 -2.717 -8.426 1.00 0.00 C ATOM 827 C ASP A 52 7.959 -4.151 -8.600 1.00 0.00 C ATOM 828 O ASP A 52 7.524 -4.542 -9.684 1.00 0.00 O ATOM 829 CB ASP A 52 7.284 -1.742 -8.605 1.00 0.00 C ATOM 830 CG ASP A 52 6.255 -1.859 -7.498 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.455 -2.690 -6.587 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.250 -1.120 -7.542 1.00 0.00 O ATOM 0 H ASP A 52 9.191 -2.195 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 52 8.850 -2.609 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.669 -0.723 -8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.803 -1.928 -9.565 1.00 0.00 H new ATOM 837 N TYR A 53 8.033 -4.931 -7.528 1.00 0.00 N ATOM 838 CA TYR A 53 7.601 -6.323 -7.563 1.00 0.00 C ATOM 839 C TYR A 53 6.495 -6.576 -6.543 1.00 0.00 C ATOM 840 O TYR A 53 6.741 -6.609 -5.337 1.00 0.00 O ATOM 841 CB TYR A 53 8.784 -7.253 -7.290 1.00 0.00 C ATOM 842 CG TYR A 53 9.407 -7.824 -8.544 1.00 0.00 C ATOM 843 CD1 TYR A 53 8.944 -9.012 -9.095 1.00 0.00 C ATOM 844 CD2 TYR A 53 10.460 -7.175 -9.177 1.00 0.00 C ATOM 845 CE1 TYR A 53 9.511 -9.538 -10.240 1.00 0.00 C ATOM 846 CE2 TYR A 53 11.032 -7.692 -10.323 1.00 0.00 C ATOM 847 CZ TYR A 53 10.554 -8.874 -10.851 1.00 0.00 C ATOM 848 OH TYR A 53 11.122 -9.393 -11.991 1.00 0.00 O ATOM 0 H TYR A 53 8.388 -4.623 -6.623 1.00 0.00 H new ATOM 0 HA TYR A 53 7.207 -6.530 -8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.545 -6.706 -6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.451 -8.073 -6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.126 -9.534 -8.620 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.838 -6.250 -8.766 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.140 -10.464 -10.654 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.849 -7.174 -10.803 1.00 0.00 H new ATOM 0 HH TYR A 53 10.421 -9.583 -12.648 1.00 0.00 H new ATOM 858 N CYS A 54 5.274 -6.754 -7.037 1.00 0.00 N ATOM 859 CA CYS A 54 4.128 -7.005 -6.171 1.00 0.00 C ATOM 860 C CYS A 54 2.866 -7.247 -6.995 1.00 0.00 C ATOM 861 O CYS A 54 2.466 -8.389 -7.213 1.00 0.00 O ATOM 862 CB CYS A 54 3.912 -5.825 -5.222 1.00 0.00 C ATOM 863 SG CYS A 54 4.425 -6.148 -3.504 1.00 0.00 S ATOM 0 H CYS A 54 5.053 -6.729 -8.032 1.00 0.00 H new ATOM 0 HA CYS A 54 4.336 -7.901 -5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.464 -4.964 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.856 -5.555 -5.230 1.00 0.00 H new