USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 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 8 TYR OH : rot 15:sc= -0.332 USER MOD Set 1.2: A 11 TYR OH : rot 50:sc= -0.796 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 0.206 (180deg=0.125) USER MOD Single : A 10 ASN : amide:sc= -0.612 K(o=-0.61,f=0.11) 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= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.34) USER MOD Single : A 21 GLN : amide:sc= -0.534 K(o=-0.53,f=-2.4!) USER MOD Single : A 23 ASN : amide:sc= 0.231 K(o=0.23,f=-5.3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.36) USER MOD Single : A 46 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.1!) USER MOD Single : A 51 TYR OH : rot 40:sc= 0.257 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.609 5.558 -6.566 1.00 0.00 N ATOM 63 CA LYS A 5 8.575 5.535 -8.024 1.00 0.00 C ATOM 64 C LYS A 5 7.164 5.256 -8.531 1.00 0.00 C ATOM 65 O LYS A 5 6.450 4.417 -7.982 1.00 0.00 O ATOM 66 CB LYS A 5 9.540 4.476 -8.561 1.00 0.00 C ATOM 67 CG LYS A 5 11.004 4.823 -8.349 1.00 0.00 C ATOM 68 CD LYS A 5 11.900 4.083 -9.327 1.00 0.00 C ATOM 69 CE LYS A 5 13.074 3.425 -8.619 1.00 0.00 C ATOM 70 NZ LYS A 5 13.988 2.743 -9.577 1.00 0.00 N ATOM 0 HA LYS A 5 8.885 6.516 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.327 3.523 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.359 4.338 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.145 5.897 -8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.294 4.573 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.319 3.325 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.271 4.778 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.630 4.178 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.702 2.701 -7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.775 2.307 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.464 2.007 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.364 3.438 -10.253 1.00 0.00 H new ATOM 84 N LYS A 6 6.767 5.964 -9.584 1.00 0.00 N ATOM 85 CA LYS A 6 5.443 5.791 -10.168 1.00 0.00 C ATOM 86 C LYS A 6 5.541 5.497 -11.661 1.00 0.00 C ATOM 87 O LYS A 6 6.332 6.113 -12.375 1.00 0.00 O ATOM 88 CB LYS A 6 4.594 7.043 -9.938 1.00 0.00 C ATOM 89 CG LYS A 6 3.811 7.017 -8.637 1.00 0.00 C ATOM 90 CD LYS A 6 4.324 8.057 -7.656 1.00 0.00 C ATOM 91 CE LYS A 6 3.476 9.320 -7.687 1.00 0.00 C ATOM 92 NZ LYS A 6 3.814 10.243 -6.569 1.00 0.00 N ATOM 0 H LYS A 6 7.345 6.664 -10.050 1.00 0.00 H new ATOM 0 HA LYS A 6 4.966 4.941 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.244 7.918 -9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.898 7.157 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.756 7.199 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.882 6.026 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.322 7.641 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.358 8.306 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.623 9.832 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.421 9.051 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.040 10.925 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.947 9.695 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.691 10.755 -6.794 1.00 0.00 H new ATOM 106 N VAL A 7 4.730 4.553 -12.129 1.00 0.00 N ATOM 107 CA VAL A 7 4.724 4.180 -13.538 1.00 0.00 C ATOM 108 C VAL A 7 4.018 5.235 -14.383 1.00 0.00 C ATOM 109 O VAL A 7 2.954 5.732 -14.012 1.00 0.00 O ATOM 110 CB VAL A 7 4.035 2.819 -13.755 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.569 2.893 -13.358 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.182 2.373 -15.202 1.00 0.00 C ATOM 0 H VAL A 7 4.069 4.033 -11.552 1.00 0.00 H new ATOM 0 HA VAL A 7 5.766 4.106 -13.850 1.00 0.00 H new ATOM 0 HB VAL A 7 4.522 2.079 -13.119 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.099 1.923 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.490 3.165 -12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.065 3.645 -13.965 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.690 1.410 -15.338 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.722 3.111 -15.859 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.240 2.278 -15.448 1.00 0.00 H new ATOM 122 N TYR A 8 4.616 5.571 -15.520 1.00 0.00 N ATOM 123 CA TYR A 8 4.045 6.569 -16.418 1.00 0.00 C ATOM 124 C TYR A 8 2.855 5.997 -17.181 1.00 0.00 C ATOM 125 O TYR A 8 2.866 4.837 -17.591 1.00 0.00 O ATOM 126 CB TYR A 8 5.106 7.065 -17.402 1.00 0.00 C ATOM 127 CG TYR A 8 5.084 8.563 -17.610 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.970 9.192 -18.153 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.177 9.348 -17.266 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.946 10.560 -18.346 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.161 10.716 -17.454 1.00 0.00 C ATOM 132 CZ TYR A 8 5.044 11.318 -17.995 1.00 0.00 C ATOM 133 OH TYR A 8 5.025 12.680 -18.185 1.00 0.00 O ATOM 0 H TYR A 8 5.496 5.168 -15.842 1.00 0.00 H new ATOM 0 HA TYR A 8 3.697 7.408 -15.815 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.091 6.771 -17.040 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.959 6.571 -18.362 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.109 8.602 -18.429 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.054 8.880 -16.844 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.072 11.033 -18.769 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.019 11.312 -17.179 1.00 0.00 H new ATOM 0 HH TYR A 8 4.104 12.975 -18.344 1.00 0.00 H new ATOM 143 N GLU A 9 1.829 6.822 -17.369 1.00 0.00 N ATOM 144 CA GLU A 9 0.630 6.399 -18.083 1.00 0.00 C ATOM 145 C GLU A 9 0.994 5.621 -19.344 1.00 0.00 C ATOM 146 O GLU A 9 0.479 4.530 -19.583 1.00 0.00 O ATOM 147 CB GLU A 9 -0.227 7.613 -18.449 1.00 0.00 C ATOM 148 CG GLU A 9 -0.701 8.409 -17.245 1.00 0.00 C ATOM 149 CD GLU A 9 -2.196 8.659 -17.263 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.653 9.471 -18.094 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.910 8.041 -16.445 1.00 0.00 O ATOM 0 H GLU A 9 1.804 7.786 -17.037 1.00 0.00 H new ATOM 0 HA GLU A 9 0.058 5.744 -17.425 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.347 8.268 -19.104 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.095 7.277 -19.016 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.437 7.873 -16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.177 9.364 -17.217 1.00 0.00 H new ATOM 158 N ASN A 10 1.886 6.191 -20.148 1.00 0.00 N ATOM 159 CA ASN A 10 2.319 5.552 -21.385 1.00 0.00 C ATOM 160 C ASN A 10 3.358 6.407 -22.104 1.00 0.00 C ATOM 161 O ASN A 10 3.057 7.503 -22.576 1.00 0.00 O ATOM 162 CB ASN A 10 1.120 5.307 -22.303 1.00 0.00 C ATOM 163 CG ASN A 10 0.120 6.446 -22.265 1.00 0.00 C ATOM 164 OD1 ASN A 10 0.361 7.518 -22.821 1.00 0.00 O ATOM 165 ND2 ASN A 10 -1.010 6.219 -21.605 1.00 0.00 N ATOM 0 H ASN A 10 2.323 7.094 -19.965 1.00 0.00 H new ATOM 0 HA ASN A 10 2.775 4.595 -21.131 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.471 5.170 -23.326 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.624 4.382 -22.009 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.720 6.948 -21.544 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.168 5.315 -21.159 1.00 0.00 H new ATOM 172 N TYR A 11 4.582 5.897 -22.184 1.00 0.00 N ATOM 173 CA TYR A 11 5.667 6.614 -22.844 1.00 0.00 C ATOM 174 C TYR A 11 6.276 5.772 -23.961 1.00 0.00 C ATOM 175 O TYR A 11 6.132 4.550 -24.002 1.00 0.00 O ATOM 176 CB TYR A 11 6.747 6.993 -21.829 1.00 0.00 C ATOM 177 CG TYR A 11 6.781 8.469 -21.504 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.606 9.191 -21.335 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.989 9.143 -21.365 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.632 10.540 -21.039 1.00 0.00 C ATOM 181 CE2 TYR A 11 8.024 10.491 -21.068 1.00 0.00 C ATOM 182 CZ TYR A 11 6.844 11.185 -20.906 1.00 0.00 C ATOM 183 OH TYR A 11 6.874 12.529 -20.610 1.00 0.00 O ATOM 0 H TYR A 11 4.848 4.990 -21.800 1.00 0.00 H new ATOM 0 HA TYR A 11 5.255 7.523 -23.282 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.583 6.431 -20.910 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.720 6.692 -22.217 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.655 8.689 -21.437 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.916 8.603 -21.491 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.709 11.086 -20.912 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.971 10.999 -20.963 1.00 0.00 H new ATOM 0 HH TYR A 11 6.292 12.708 -19.842 1.00 0.00 H new ATOM 193 N PRO A 12 6.975 6.440 -24.890 1.00 0.00 N ATOM 194 CA PRO A 12 7.622 5.775 -26.025 1.00 0.00 C ATOM 195 C PRO A 12 8.815 4.927 -25.597 1.00 0.00 C ATOM 196 O PRO A 12 9.729 5.415 -24.931 1.00 0.00 O ATOM 197 CB PRO A 12 8.082 6.940 -26.904 1.00 0.00 C ATOM 198 CG PRO A 12 8.238 8.086 -25.964 1.00 0.00 C ATOM 199 CD PRO A 12 7.188 7.897 -24.905 1.00 0.00 C ATOM 0 HA PRO A 12 6.948 5.083 -26.530 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.021 6.710 -27.407 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.351 7.162 -27.681 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.236 8.099 -25.526 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.104 9.036 -26.481 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.525 8.264 -23.935 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.271 8.434 -25.148 1.00 0.00 H new ATOM 207 N VAL A 13 8.801 3.655 -25.983 1.00 0.00 N ATOM 208 CA VAL A 13 9.882 2.740 -25.640 1.00 0.00 C ATOM 209 C VAL A 13 11.176 3.128 -26.348 1.00 0.00 C ATOM 210 O VAL A 13 12.270 2.820 -25.876 1.00 0.00 O ATOM 211 CB VAL A 13 9.525 1.287 -26.006 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.722 0.373 -25.792 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.329 0.812 -25.195 1.00 0.00 C ATOM 0 H VAL A 13 8.052 3.235 -26.534 1.00 0.00 H new ATOM 0 HA VAL A 13 10.026 2.810 -24.562 1.00 0.00 H new ATOM 0 HB VAL A 13 9.256 1.252 -27.062 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.451 -0.649 -26.056 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.549 0.703 -26.421 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.025 0.410 -24.746 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.091 -0.216 -25.466 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.567 0.861 -24.132 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.471 1.451 -25.404 1.00 0.00 H new ATOM 223 N SER A 14 11.042 3.805 -27.484 1.00 0.00 N ATOM 224 CA SER A 14 12.200 4.233 -28.260 1.00 0.00 C ATOM 225 C SER A 14 13.026 5.255 -27.485 1.00 0.00 C ATOM 226 O SER A 14 14.245 5.128 -27.370 1.00 0.00 O ATOM 227 CB SER A 14 11.754 4.829 -29.596 1.00 0.00 C ATOM 228 OG SER A 14 12.064 3.959 -30.672 1.00 0.00 O ATOM 0 H SER A 14 10.143 4.069 -27.887 1.00 0.00 H new ATOM 0 HA SER A 14 12.822 3.358 -28.450 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.681 5.017 -29.574 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.243 5.791 -29.750 1.00 0.00 H new ATOM 0 HG SER A 14 11.767 4.362 -31.515 1.00 0.00 H new ATOM 234 N LYS A 15 12.353 6.270 -26.954 1.00 0.00 N ATOM 235 CA LYS A 15 13.021 7.315 -26.188 1.00 0.00 C ATOM 236 C LYS A 15 13.537 6.771 -24.859 1.00 0.00 C ATOM 237 O LYS A 15 14.538 7.250 -24.327 1.00 0.00 O ATOM 238 CB LYS A 15 12.065 8.482 -25.936 1.00 0.00 C ATOM 239 CG LYS A 15 11.574 9.152 -27.208 1.00 0.00 C ATOM 240 CD LYS A 15 12.731 9.659 -28.053 1.00 0.00 C ATOM 241 CE LYS A 15 12.859 8.875 -29.350 1.00 0.00 C ATOM 242 NZ LYS A 15 13.742 9.566 -30.331 1.00 0.00 N ATOM 0 H LYS A 15 11.344 6.391 -27.040 1.00 0.00 H new ATOM 0 HA LYS A 15 13.872 7.669 -26.770 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.206 8.121 -25.370 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.567 9.224 -25.315 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.981 8.444 -27.788 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.917 9.983 -26.952 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.583 10.715 -28.278 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.659 9.581 -27.486 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.259 7.883 -29.137 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.871 8.733 -29.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.804 9.000 -31.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.348 10.502 -30.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.692 9.679 -29.924 1.00 0.00 H new ATOM 256 N CYS A 16 12.847 5.766 -24.329 1.00 0.00 N ATOM 257 CA CYS A 16 13.234 5.156 -23.063 1.00 0.00 C ATOM 258 C CYS A 16 14.669 4.640 -23.125 1.00 0.00 C ATOM 259 O CYS A 16 15.338 4.513 -22.100 1.00 0.00 O ATOM 260 CB CYS A 16 12.283 4.010 -22.713 1.00 0.00 C ATOM 261 SG CYS A 16 11.597 4.101 -21.028 1.00 0.00 S ATOM 0 H CYS A 16 12.017 5.357 -24.757 1.00 0.00 H new ATOM 0 HA CYS A 16 13.173 5.919 -22.287 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.461 4.003 -23.429 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.813 3.064 -22.827 1.00 0.00 H new ATOM 266 N GLN A 17 15.135 4.345 -24.335 1.00 0.00 N ATOM 267 CA GLN A 17 16.489 3.843 -24.530 1.00 0.00 C ATOM 268 C GLN A 17 17.516 4.804 -23.940 1.00 0.00 C ATOM 269 O GLN A 17 18.640 4.411 -23.623 1.00 0.00 O ATOM 270 CB GLN A 17 16.768 3.632 -26.019 1.00 0.00 C ATOM 271 CG GLN A 17 16.301 2.282 -26.540 1.00 0.00 C ATOM 272 CD GLN A 17 17.190 1.742 -27.642 1.00 0.00 C ATOM 273 OE1 GLN A 17 17.031 2.092 -28.812 1.00 0.00 O ATOM 274 NE2 GLN A 17 18.135 0.884 -27.275 1.00 0.00 N ATOM 0 H GLN A 17 14.594 4.445 -25.194 1.00 0.00 H new ATOM 0 HA GLN A 17 16.573 2.887 -24.013 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.277 4.421 -26.588 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.839 3.730 -26.197 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.276 1.568 -25.717 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.281 2.374 -26.914 1.00 0.00 H new ATOM 0 HE21 GLN A 17 18.232 0.621 -26.294 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.764 0.488 -27.974 1.00 0.00 H new ATOM 283 N LEU A 18 17.125 6.065 -23.795 1.00 0.00 N ATOM 284 CA LEU A 18 18.011 7.083 -23.243 1.00 0.00 C ATOM 285 C LEU A 18 17.570 7.486 -21.840 1.00 0.00 C ATOM 286 O LEU A 18 16.494 8.053 -21.656 1.00 0.00 O ATOM 287 CB LEU A 18 18.039 8.312 -24.154 1.00 0.00 C ATOM 288 CG LEU A 18 18.375 8.051 -25.623 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.347 9.349 -26.415 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.734 7.377 -25.747 1.00 0.00 C ATOM 0 H LEU A 18 16.199 6.407 -24.052 1.00 0.00 H new ATOM 0 HA LEU A 18 19.014 6.661 -23.181 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.064 8.798 -24.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.767 9.018 -23.755 1.00 0.00 H new ATOM 0 HG LEU A 18 17.621 7.381 -26.036 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.588 9.144 -27.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.353 9.792 -26.353 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.080 10.043 -26.003 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.957 7.199 -26.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.501 8.022 -25.318 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.719 6.427 -25.213 1.00 0.00 H new ATOM 302 N ALA A 19 18.411 7.192 -20.853 1.00 0.00 N ATOM 303 CA ALA A 19 18.110 7.527 -19.467 1.00 0.00 C ATOM 304 C ALA A 19 17.924 9.031 -19.294 1.00 0.00 C ATOM 305 O ALA A 19 17.134 9.477 -18.464 1.00 0.00 O ATOM 306 CB ALA A 19 19.213 7.021 -18.550 1.00 0.00 C ATOM 0 H ALA A 19 19.306 6.722 -20.988 1.00 0.00 H new ATOM 0 HA ALA A 19 17.174 7.038 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.975 7.278 -17.518 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.296 5.938 -18.644 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.160 7.483 -18.830 1.00 0.00 H new ATOM 312 N ASN A 20 18.659 9.808 -20.084 1.00 0.00 N ATOM 313 CA ASN A 20 18.576 11.262 -20.017 1.00 0.00 C ATOM 314 C ASN A 20 17.204 11.750 -20.471 1.00 0.00 C ATOM 315 O ASN A 20 16.791 12.863 -20.144 1.00 0.00 O ATOM 316 CB ASN A 20 19.667 11.897 -20.881 1.00 0.00 C ATOM 317 CG ASN A 20 20.964 11.111 -20.843 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.271 10.354 -21.764 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.733 11.289 -19.775 1.00 0.00 N ATOM 0 H ASN A 20 19.318 9.455 -20.777 1.00 0.00 H new ATOM 0 HA ASN A 20 18.724 11.562 -18.979 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.317 11.966 -21.911 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.852 12.915 -20.538 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.618 10.788 -19.694 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.439 11.927 -19.035 1.00 0.00 H new ATOM 326 N GLN A 21 16.503 10.910 -21.226 1.00 0.00 N ATOM 327 CA GLN A 21 15.178 11.257 -21.725 1.00 0.00 C ATOM 328 C GLN A 21 14.111 10.994 -20.667 1.00 0.00 C ATOM 329 O GLN A 21 13.383 11.902 -20.265 1.00 0.00 O ATOM 330 CB GLN A 21 14.862 10.460 -22.992 1.00 0.00 C ATOM 331 CG GLN A 21 15.238 11.183 -24.275 1.00 0.00 C ATOM 332 CD GLN A 21 14.077 11.957 -24.870 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.622 11.662 -25.975 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.592 12.953 -24.138 1.00 0.00 N ATOM 0 H GLN A 21 16.830 9.985 -21.505 1.00 0.00 H new ATOM 0 HA GLN A 21 15.175 12.321 -21.962 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.390 9.507 -22.953 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.796 10.233 -23.012 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.061 11.868 -24.074 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.598 10.457 -25.004 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.000 13.162 -23.227 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.811 13.509 -24.487 1.00 0.00 H new ATOM 343 N CYS A 22 14.024 9.746 -20.218 1.00 0.00 N ATOM 344 CA CYS A 22 13.047 9.362 -19.207 1.00 0.00 C ATOM 345 C CYS A 22 13.125 10.288 -17.997 1.00 0.00 C ATOM 346 O CYS A 22 12.104 10.752 -17.490 1.00 0.00 O ATOM 347 CB CYS A 22 13.275 7.914 -18.770 1.00 0.00 C ATOM 348 SG CYS A 22 11.764 7.055 -18.226 1.00 0.00 S ATOM 0 H CYS A 22 14.620 8.983 -20.539 1.00 0.00 H new ATOM 0 HA CYS A 22 12.053 9.449 -19.647 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.716 7.361 -19.599 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.000 7.901 -17.956 1.00 0.00 H new ATOM 353 N ASN A 23 14.344 10.553 -17.539 1.00 0.00 N ATOM 354 CA ASN A 23 14.555 11.424 -16.388 1.00 0.00 C ATOM 355 C ASN A 23 14.135 12.856 -16.704 1.00 0.00 C ATOM 356 O ASN A 23 13.288 13.431 -16.019 1.00 0.00 O ATOM 357 CB ASN A 23 16.025 11.394 -15.963 1.00 0.00 C ATOM 358 CG ASN A 23 16.235 11.948 -14.567 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.103 11.229 -13.576 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.562 13.232 -14.482 1.00 0.00 N ATOM 0 H ASN A 23 15.200 10.178 -17.947 1.00 0.00 H new ATOM 0 HA ASN A 23 13.938 11.056 -15.568 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.391 10.368 -16.003 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.617 11.971 -16.673 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.715 13.660 -13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.661 13.790 -15.330 1.00 0.00 H new ATOM 367 N TYR A 24 14.730 13.425 -17.746 1.00 0.00 N ATOM 368 CA TYR A 24 14.419 14.790 -18.152 1.00 0.00 C ATOM 369 C TYR A 24 12.914 14.981 -18.315 1.00 0.00 C ATOM 370 O TYR A 24 12.344 15.957 -17.827 1.00 0.00 O ATOM 371 CB TYR A 24 15.132 15.130 -19.462 1.00 0.00 C ATOM 372 CG TYR A 24 14.913 16.555 -19.919 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.369 17.625 -19.160 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.251 16.830 -21.108 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.172 18.929 -19.572 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.050 18.131 -21.529 1.00 0.00 C ATOM 377 CZ TYR A 24 14.512 19.176 -20.758 1.00 0.00 C ATOM 378 OH TYR A 24 14.313 20.473 -21.173 1.00 0.00 O ATOM 0 H TYR A 24 15.431 12.962 -18.325 1.00 0.00 H new ATOM 0 HA TYR A 24 14.770 15.463 -17.370 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.201 14.957 -19.339 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.786 14.450 -20.241 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.887 17.434 -18.231 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.887 16.014 -21.714 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.532 19.750 -18.969 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.534 18.328 -22.457 1.00 0.00 H new ATOM 0 HH TYR A 24 13.834 20.473 -22.028 1.00 0.00 H new ATOM 388 N ASP A 25 12.276 14.040 -19.003 1.00 0.00 N ATOM 389 CA ASP A 25 10.837 14.102 -19.229 1.00 0.00 C ATOM 390 C ASP A 25 10.073 13.932 -17.919 1.00 0.00 C ATOM 391 O ASP A 25 9.194 14.730 -17.593 1.00 0.00 O ATOM 392 CB ASP A 25 10.410 13.024 -20.226 1.00 0.00 C ATOM 393 CG ASP A 25 9.398 13.535 -21.233 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.672 14.497 -20.908 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.331 12.971 -22.346 1.00 0.00 O ATOM 0 H ASP A 25 12.733 13.226 -19.414 1.00 0.00 H new ATOM 0 HA ASP A 25 10.601 15.083 -19.642 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.288 12.653 -20.754 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.984 12.180 -19.684 1.00 0.00 H new ATOM 400 N CYS A 26 10.414 12.887 -17.173 1.00 0.00 N ATOM 401 CA CYS A 26 9.760 12.611 -15.899 1.00 0.00 C ATOM 402 C CYS A 26 9.837 13.823 -14.974 1.00 0.00 C ATOM 403 O CYS A 26 8.850 14.201 -14.344 1.00 0.00 O ATOM 404 CB CYS A 26 10.403 11.398 -15.224 1.00 0.00 C ATOM 405 SG CYS A 26 9.856 11.125 -13.508 1.00 0.00 S ATOM 0 H CYS A 26 11.139 12.217 -17.428 1.00 0.00 H new ATOM 0 HA CYS A 26 8.710 12.394 -16.097 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.179 10.508 -15.811 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.486 11.522 -15.233 1.00 0.00 H new ATOM 410 N LYS A 27 11.018 14.428 -14.898 1.00 0.00 N ATOM 411 CA LYS A 27 11.226 15.597 -14.053 1.00 0.00 C ATOM 412 C LYS A 27 10.668 16.853 -14.714 1.00 0.00 C ATOM 413 O LYS A 27 10.719 17.943 -14.143 1.00 0.00 O ATOM 414 CB LYS A 27 12.716 15.781 -13.760 1.00 0.00 C ATOM 415 CG LYS A 27 12.995 16.678 -12.566 1.00 0.00 C ATOM 416 CD LYS A 27 14.092 17.686 -12.869 1.00 0.00 C ATOM 417 CE LYS A 27 13.550 18.889 -13.624 1.00 0.00 C ATOM 418 NZ LYS A 27 14.579 19.953 -13.786 1.00 0.00 N ATOM 0 H LYS A 27 11.846 14.127 -15.412 1.00 0.00 H new ATOM 0 HA LYS A 27 10.695 15.435 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.166 14.804 -13.583 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.202 16.201 -14.641 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.083 17.205 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.287 16.067 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.551 18.017 -11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.875 17.208 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.197 18.573 -14.606 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.690 19.294 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.170 20.756 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.898 20.273 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.389 19.574 -14.316 1.00 0.00 H new ATOM 432 N LEU A 28 10.133 16.694 -15.919 1.00 0.00 N ATOM 433 CA LEU A 28 9.563 17.815 -16.658 1.00 0.00 C ATOM 434 C LEU A 28 8.042 17.820 -16.554 1.00 0.00 C ATOM 435 O LEU A 28 7.437 18.830 -16.194 1.00 0.00 O ATOM 436 CB LEU A 28 9.985 17.750 -18.127 1.00 0.00 C ATOM 437 CG LEU A 28 9.406 18.832 -19.040 1.00 0.00 C ATOM 438 CD1 LEU A 28 10.129 20.153 -18.827 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.493 18.403 -20.497 1.00 0.00 C ATOM 0 H LEU A 28 10.082 15.799 -16.406 1.00 0.00 H new ATOM 0 HA LEU A 28 9.941 18.738 -16.218 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.073 17.806 -18.175 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.698 16.776 -18.524 1.00 0.00 H new ATOM 0 HG LEU A 28 8.355 18.971 -18.785 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.704 20.911 -19.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.014 20.467 -17.790 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.188 20.029 -19.054 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.076 19.185 -21.132 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.536 18.235 -20.765 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.929 17.481 -20.639 1.00 0.00 H new ATOM 451 N ASP A 29 7.429 16.684 -16.868 1.00 0.00 N ATOM 452 CA ASP A 29 5.978 16.555 -16.807 1.00 0.00 C ATOM 453 C ASP A 29 5.526 16.169 -15.402 1.00 0.00 C ATOM 454 O ASP A 29 4.611 16.776 -14.843 1.00 0.00 O ATOM 455 CB ASP A 29 5.493 15.513 -17.816 1.00 0.00 C ATOM 456 CG ASP A 29 5.114 16.130 -19.148 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.995 16.735 -19.794 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.936 16.006 -19.544 1.00 0.00 O ATOM 0 H ASP A 29 7.915 15.839 -17.168 1.00 0.00 H new ATOM 0 HA ASP A 29 5.542 17.522 -17.058 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.276 14.771 -17.972 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.632 14.986 -17.405 1.00 0.00 H new ATOM 463 N LYS A 30 6.172 15.156 -14.835 1.00 0.00 N ATOM 464 CA LYS A 30 5.837 14.688 -13.495 1.00 0.00 C ATOM 465 C LYS A 30 6.590 15.487 -12.436 1.00 0.00 C ATOM 466 O LYS A 30 6.231 15.469 -11.259 1.00 0.00 O ATOM 467 CB LYS A 30 6.166 13.200 -13.356 1.00 0.00 C ATOM 468 CG LYS A 30 5.652 12.353 -14.507 1.00 0.00 C ATOM 469 CD LYS A 30 4.710 11.264 -14.022 1.00 0.00 C ATOM 470 CE LYS A 30 3.745 10.834 -15.116 1.00 0.00 C ATOM 471 NZ LYS A 30 2.415 10.455 -14.565 1.00 0.00 N ATOM 0 H LYS A 30 6.931 14.643 -15.283 1.00 0.00 H new ATOM 0 HA LYS A 30 4.768 14.834 -13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.247 13.081 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.741 12.828 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.135 12.989 -15.225 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.494 11.900 -15.031 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.289 10.403 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.148 11.625 -13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.623 11.646 -15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.167 9.989 -15.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.786 10.168 -15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.527 9.663 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.001 11.269 -14.067 1.00 0.00 H new ATOM 485 N HIS A 31 7.636 16.189 -12.863 1.00 0.00 N ATOM 486 CA HIS A 31 8.438 16.996 -11.951 1.00 0.00 C ATOM 487 C HIS A 31 8.996 16.142 -10.817 1.00 0.00 C ATOM 488 O HIS A 31 9.292 16.648 -9.734 1.00 0.00 O ATOM 489 CB HIS A 31 7.601 18.141 -11.379 1.00 0.00 C ATOM 490 CG HIS A 31 8.350 19.433 -11.269 1.00 0.00 C ATOM 491 ND1 HIS A 31 8.142 20.499 -12.118 1.00 0.00 N ATOM 492 CD2 HIS A 31 9.310 19.829 -10.400 1.00 0.00 C ATOM 493 CE1 HIS A 31 8.943 21.493 -11.778 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.661 21.112 -10.738 1.00 0.00 N ATOM 0 H HIS A 31 7.947 16.215 -13.834 1.00 0.00 H new ATOM 0 HA HIS A 31 9.274 17.413 -12.513 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.725 18.291 -12.011 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.237 17.856 -10.392 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.723 19.244 -9.591 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.001 22.454 -12.268 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.363 21.679 -10.263 1.00 0.00 H new ATOM 502 N ALA A 32 9.135 14.845 -11.072 1.00 0.00 N ATOM 503 CA ALA A 32 9.659 13.922 -10.073 1.00 0.00 C ATOM 504 C ALA A 32 11.160 14.111 -9.883 1.00 0.00 C ATOM 505 O ALA A 32 11.854 14.583 -10.784 1.00 0.00 O ATOM 506 CB ALA A 32 9.351 12.486 -10.470 1.00 0.00 C ATOM 0 H ALA A 32 8.892 14.410 -11.962 1.00 0.00 H new ATOM 0 HA ALA A 32 9.170 14.138 -9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.748 11.807 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.272 12.353 -10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.812 12.268 -11.433 1.00 0.00 H new ATOM 512 N ARG A 33 11.654 13.739 -8.707 1.00 0.00 N ATOM 513 CA ARG A 33 13.073 13.870 -8.399 1.00 0.00 C ATOM 514 C ARG A 33 13.928 13.269 -9.511 1.00 0.00 C ATOM 515 O ARG A 33 14.925 13.859 -9.929 1.00 0.00 O ATOM 516 CB ARG A 33 13.394 13.186 -7.069 1.00 0.00 C ATOM 517 CG ARG A 33 13.004 14.009 -5.852 1.00 0.00 C ATOM 518 CD ARG A 33 13.809 13.606 -4.626 1.00 0.00 C ATOM 519 NE ARG A 33 12.962 13.424 -3.450 1.00 0.00 N ATOM 520 CZ ARG A 33 12.536 14.427 -2.690 1.00 0.00 C ATOM 521 NH1 ARG A 33 12.876 15.675 -2.981 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.768 14.181 -1.636 1.00 0.00 N ATOM 0 H ARG A 33 11.093 13.345 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 33 13.305 14.932 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.878 12.227 -7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.463 12.975 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.162 15.067 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.941 13.880 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.345 12.680 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.559 14.369 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 33 12.683 12.476 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.466 15.867 -3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.547 16.443 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.505 13.222 -1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.441 14.951 -1.052 1.00 0.00 H new ATOM 536 N SER A 34 13.532 12.092 -9.985 1.00 0.00 N ATOM 537 CA SER A 34 14.264 11.409 -11.045 1.00 0.00 C ATOM 538 C SER A 34 13.336 10.506 -11.851 1.00 0.00 C ATOM 539 O SER A 34 12.125 10.490 -11.635 1.00 0.00 O ATOM 540 CB SER A 34 15.410 10.585 -10.454 1.00 0.00 C ATOM 541 OG SER A 34 15.381 10.615 -9.037 1.00 0.00 O ATOM 0 H SER A 34 12.708 11.592 -9.652 1.00 0.00 H new ATOM 0 HA SER A 34 14.677 12.165 -11.713 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.338 9.554 -10.801 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.364 10.975 -10.810 1.00 0.00 H new ATOM 0 HG SER A 34 16.122 10.080 -8.683 1.00 0.00 H new ATOM 547 N GLY A 35 13.915 9.754 -12.783 1.00 0.00 N ATOM 548 CA GLY A 35 13.126 8.857 -13.608 1.00 0.00 C ATOM 549 C GLY A 35 13.977 7.827 -14.322 1.00 0.00 C ATOM 550 O GLY A 35 15.025 8.156 -14.878 1.00 0.00 O ATOM 0 H GLY A 35 14.916 9.750 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.391 8.348 -12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.571 9.439 -14.344 1.00 0.00 H new ATOM 554 N GLU A 36 13.528 6.576 -14.306 1.00 0.00 N ATOM 555 CA GLU A 36 14.258 5.494 -14.956 1.00 0.00 C ATOM 556 C GLU A 36 13.328 4.658 -15.831 1.00 0.00 C ATOM 557 O GLU A 36 12.110 4.833 -15.805 1.00 0.00 O ATOM 558 CB GLU A 36 14.930 4.602 -13.909 1.00 0.00 C ATOM 559 CG GLU A 36 16.321 5.069 -13.514 1.00 0.00 C ATOM 560 CD GLU A 36 16.333 5.810 -12.191 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.783 5.275 -11.206 1.00 0.00 O ATOM 562 OE2 GLU A 36 16.894 6.924 -12.141 1.00 0.00 O ATOM 0 H GLU A 36 12.663 6.287 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 36 15.024 5.938 -15.592 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.302 4.565 -13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.994 3.585 -14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.985 4.207 -13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.717 5.719 -14.294 1.00 0.00 H new ATOM 569 N CYS A 37 13.912 3.750 -16.605 1.00 0.00 N ATOM 570 CA CYS A 37 13.138 2.887 -17.489 1.00 0.00 C ATOM 571 C CYS A 37 13.166 1.442 -17.000 1.00 0.00 C ATOM 572 O CYS A 37 14.197 0.950 -16.540 1.00 0.00 O ATOM 573 CB CYS A 37 13.683 2.964 -18.917 1.00 0.00 C ATOM 574 SG CYS A 37 13.271 4.510 -19.787 1.00 0.00 S ATOM 0 H CYS A 37 14.919 3.593 -16.638 1.00 0.00 H new ATOM 0 HA CYS A 37 12.105 3.235 -17.482 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.767 2.854 -18.887 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.293 2.122 -19.489 1.00 0.00 H new ATOM 579 N PHE A 38 12.027 0.766 -17.104 1.00 0.00 N ATOM 580 CA PHE A 38 11.919 -0.623 -16.672 1.00 0.00 C ATOM 581 C PHE A 38 11.669 -1.545 -17.861 1.00 0.00 C ATOM 582 O PHE A 38 11.225 -1.103 -18.921 1.00 0.00 O ATOM 583 CB PHE A 38 10.792 -0.775 -15.648 1.00 0.00 C ATOM 584 CG PHE A 38 11.239 -0.565 -14.229 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.027 0.524 -13.891 1.00 0.00 C ATOM 586 CD2 PHE A 38 10.870 -1.455 -13.234 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.439 0.719 -12.587 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.279 -1.265 -11.927 1.00 0.00 C ATOM 589 CZ PHE A 38 12.064 -0.176 -11.603 1.00 0.00 C ATOM 0 H PHE A 38 11.165 1.157 -17.484 1.00 0.00 H new ATOM 0 HA PHE A 38 12.863 -0.907 -16.207 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.002 -0.061 -15.881 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.360 -1.771 -15.741 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.322 1.228 -14.655 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.255 -2.308 -13.482 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.054 1.571 -12.337 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.985 -1.967 -11.161 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.384 -0.024 -10.583 1.00 0.00 H new ATOM 599 N TYR A 39 11.958 -2.829 -17.678 1.00 0.00 N ATOM 600 CA TYR A 39 11.768 -3.813 -18.736 1.00 0.00 C ATOM 601 C TYR A 39 10.517 -4.650 -18.483 1.00 0.00 C ATOM 602 O TYR A 39 10.566 -5.670 -17.796 1.00 0.00 O ATOM 603 CB TYR A 39 12.992 -4.724 -18.841 1.00 0.00 C ATOM 604 CG TYR A 39 13.762 -4.558 -20.131 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.110 -4.555 -21.357 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.143 -4.403 -20.123 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.810 -4.405 -22.538 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.852 -4.250 -21.299 1.00 0.00 C ATOM 609 CZ TYR A 39 15.181 -4.252 -22.504 1.00 0.00 C ATOM 610 OH TYR A 39 15.882 -4.100 -23.679 1.00 0.00 O ATOM 0 H TYR A 39 12.325 -3.212 -16.807 1.00 0.00 H new ATOM 0 HA TYR A 39 11.641 -3.277 -19.677 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.658 -4.522 -18.002 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.671 -5.762 -18.750 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.037 -4.672 -21.388 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.671 -4.402 -19.181 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.287 -4.407 -23.483 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.925 -4.130 -21.275 1.00 0.00 H new ATOM 0 HH TYR A 39 16.837 -4.003 -23.480 1.00 0.00 H new ATOM 620 N LYS A 40 9.396 -4.210 -19.044 1.00 0.00 N ATOM 621 CA LYS A 40 8.131 -4.917 -18.883 1.00 0.00 C ATOM 622 C LYS A 40 7.880 -5.859 -20.056 1.00 0.00 C ATOM 623 O LYS A 40 8.639 -5.873 -21.025 1.00 0.00 O ATOM 624 CB LYS A 40 6.977 -3.919 -18.761 1.00 0.00 C ATOM 625 CG LYS A 40 6.115 -4.133 -17.529 1.00 0.00 C ATOM 626 CD LYS A 40 4.781 -4.768 -17.885 1.00 0.00 C ATOM 627 CE LYS A 40 4.501 -5.993 -17.028 1.00 0.00 C ATOM 628 NZ LYS A 40 4.305 -5.636 -15.596 1.00 0.00 N ATOM 0 H LYS A 40 9.338 -3.367 -19.615 1.00 0.00 H new ATOM 0 HA LYS A 40 8.189 -5.510 -17.970 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.383 -2.908 -18.739 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.350 -3.991 -19.650 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.644 -4.769 -16.820 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.943 -3.177 -17.033 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.982 -4.039 -17.751 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.781 -5.051 -18.938 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.611 -6.501 -17.400 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.330 -6.695 -17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.117 -6.498 -15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.163 -5.174 -15.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.498 -4.986 -15.508 1.00 0.00 H new ATOM 642 N GLU A 41 6.811 -6.643 -19.962 1.00 0.00 N ATOM 643 CA GLU A 41 6.461 -7.587 -21.017 1.00 0.00 C ATOM 644 C GLU A 41 7.669 -8.431 -21.414 1.00 0.00 C ATOM 645 O GLU A 41 8.664 -8.491 -20.691 1.00 0.00 O ATOM 646 CB GLU A 41 5.922 -6.843 -22.240 1.00 0.00 C ATOM 647 CG GLU A 41 4.859 -5.810 -21.904 1.00 0.00 C ATOM 648 CD GLU A 41 3.577 -6.437 -21.394 1.00 0.00 C ATOM 649 OE1 GLU A 41 3.476 -6.668 -20.170 1.00 0.00 O ATOM 650 OE2 GLU A 41 2.674 -6.697 -22.217 1.00 0.00 O ATOM 0 H GLU A 41 6.172 -6.643 -19.167 1.00 0.00 H new ATOM 0 HA GLU A 41 5.686 -8.250 -20.633 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.750 -6.348 -22.748 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.505 -7.567 -22.940 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.249 -5.125 -21.151 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.641 -5.217 -22.792 1.00 0.00 H new ATOM 657 N LYS A 42 7.574 -9.083 -22.568 1.00 0.00 N ATOM 658 CA LYS A 42 8.658 -9.924 -23.064 1.00 0.00 C ATOM 659 C LYS A 42 9.751 -9.078 -23.709 1.00 0.00 C ATOM 660 O LYS A 42 10.938 -9.278 -23.449 1.00 0.00 O ATOM 661 CB LYS A 42 8.121 -10.940 -24.074 1.00 0.00 C ATOM 662 CG LYS A 42 8.323 -12.385 -23.650 1.00 0.00 C ATOM 663 CD LYS A 42 8.664 -13.271 -24.836 1.00 0.00 C ATOM 664 CE LYS A 42 9.732 -14.294 -24.478 1.00 0.00 C ATOM 665 NZ LYS A 42 9.140 -15.542 -23.921 1.00 0.00 N ATOM 0 H LYS A 42 6.757 -9.045 -23.178 1.00 0.00 H new ATOM 0 HA LYS A 42 9.089 -10.457 -22.216 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.057 -10.760 -24.226 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.612 -10.780 -25.034 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.123 -12.440 -22.912 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.418 -12.754 -23.168 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.766 -13.785 -25.178 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.012 -12.654 -25.664 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.317 -14.534 -25.366 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.419 -13.862 -23.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.900 -16.213 -23.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.603 -15.317 -23.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.504 -15.968 -24.624 1.00 0.00 H new ATOM 679 N ARG A 43 9.343 -8.134 -24.550 1.00 0.00 N ATOM 680 CA ARG A 43 10.288 -7.258 -25.232 1.00 0.00 C ATOM 681 C ARG A 43 9.956 -5.791 -24.971 1.00 0.00 C ATOM 682 O ARG A 43 10.848 -4.950 -24.876 1.00 0.00 O ATOM 683 CB ARG A 43 10.278 -7.534 -26.736 1.00 0.00 C ATOM 684 CG ARG A 43 10.669 -8.958 -27.096 1.00 0.00 C ATOM 685 CD ARG A 43 11.231 -9.042 -28.507 1.00 0.00 C ATOM 686 NE ARG A 43 10.240 -9.529 -29.463 1.00 0.00 N ATOM 687 CZ ARG A 43 10.413 -9.499 -30.780 1.00 0.00 C ATOM 688 NH1 ARG A 43 11.531 -9.008 -31.294 1.00 0.00 N ATOM 689 NH2 ARG A 43 9.465 -9.961 -31.585 1.00 0.00 N ATOM 0 H ARG A 43 8.364 -7.956 -24.776 1.00 0.00 H new ATOM 0 HA ARG A 43 11.284 -7.463 -24.838 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.282 -7.330 -27.128 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.962 -6.843 -27.228 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.410 -9.323 -26.386 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.798 -9.608 -27.011 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.580 -8.057 -28.817 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.097 -9.704 -28.513 1.00 0.00 H new ATOM 0 HE ARG A 43 9.368 -9.913 -29.100 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.262 -8.652 -30.678 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.661 -8.986 -32.305 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.603 -10.339 -31.193 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.598 -9.938 -32.596 1.00 0.00 H new ATOM 703 N ASN A 44 8.666 -5.493 -24.858 1.00 0.00 N ATOM 704 CA ASN A 44 8.215 -4.129 -24.610 1.00 0.00 C ATOM 705 C ASN A 44 8.986 -3.504 -23.451 1.00 0.00 C ATOM 706 O ASN A 44 9.632 -4.205 -22.671 1.00 0.00 O ATOM 707 CB ASN A 44 6.715 -4.111 -24.308 1.00 0.00 C ATOM 708 CG ASN A 44 6.107 -2.733 -24.480 1.00 0.00 C ATOM 709 OD1 ASN A 44 5.750 -2.074 -23.503 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.986 -2.291 -25.726 1.00 0.00 N ATOM 0 H ASN A 44 7.914 -6.178 -24.934 1.00 0.00 H new ATOM 0 HA ASN A 44 8.404 -3.542 -25.509 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.206 -4.814 -24.967 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.549 -4.454 -23.287 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.584 -1.371 -25.904 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.295 -2.872 -26.505 1.00 0.00 H new ATOM 717 N LEU A 45 8.913 -2.182 -23.344 1.00 0.00 N ATOM 718 CA LEU A 45 9.603 -1.461 -22.279 1.00 0.00 C ATOM 719 C LEU A 45 8.688 -0.417 -21.647 1.00 0.00 C ATOM 720 O LEU A 45 7.735 0.046 -22.272 1.00 0.00 O ATOM 721 CB LEU A 45 10.863 -0.788 -22.826 1.00 0.00 C ATOM 722 CG LEU A 45 12.003 -0.585 -21.828 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.350 -0.712 -22.522 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.879 0.769 -21.144 1.00 0.00 C ATOM 0 H LEU A 45 8.383 -1.587 -23.981 1.00 0.00 H new ATOM 0 HA LEU A 45 9.887 -2.180 -21.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.237 -1.385 -23.658 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.584 0.185 -23.231 1.00 0.00 H new ATOM 0 HG LEU A 45 11.935 -1.362 -21.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.149 -0.564 -21.795 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.440 -1.705 -22.963 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.428 0.042 -23.305 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.699 0.896 -20.437 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.920 1.560 -21.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.929 0.822 -20.611 1.00 0.00 H new ATOM 736 N GLN A 46 8.987 -0.051 -20.404 1.00 0.00 N ATOM 737 CA GLN A 46 8.192 0.939 -19.688 1.00 0.00 C ATOM 738 C GLN A 46 9.085 2.005 -19.062 1.00 0.00 C ATOM 739 O GLN A 46 10.297 1.822 -18.941 1.00 0.00 O ATOM 740 CB GLN A 46 7.350 0.262 -18.606 1.00 0.00 C ATOM 741 CG GLN A 46 5.895 0.068 -18.999 1.00 0.00 C ATOM 742 CD GLN A 46 5.138 -0.810 -18.022 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.577 -1.839 -18.400 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.118 -0.408 -16.757 1.00 0.00 N ATOM 0 H GLN A 46 9.773 -0.425 -19.873 1.00 0.00 H new ATOM 0 HA GLN A 46 7.528 1.423 -20.405 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.787 -0.709 -18.372 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.395 0.860 -17.696 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.407 1.041 -19.061 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.847 -0.377 -19.993 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.596 0.452 -16.487 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.624 -0.959 -16.055 1.00 0.00 H new ATOM 753 N CYS A 47 8.480 3.120 -18.666 1.00 0.00 N ATOM 754 CA CYS A 47 9.220 4.216 -18.053 1.00 0.00 C ATOM 755 C CYS A 47 8.624 4.583 -16.697 1.00 0.00 C ATOM 756 O CYS A 47 7.483 5.037 -16.611 1.00 0.00 O ATOM 757 CB CYS A 47 9.214 5.439 -18.972 1.00 0.00 C ATOM 758 SG CYS A 47 10.867 5.939 -19.554 1.00 0.00 S ATOM 0 H CYS A 47 7.478 3.288 -18.759 1.00 0.00 H new ATOM 0 HA CYS A 47 10.248 3.888 -17.902 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.585 5.228 -19.836 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.758 6.276 -18.443 1.00 0.00 H new ATOM 763 N ILE A 48 9.405 4.383 -15.641 1.00 0.00 N ATOM 764 CA ILE A 48 8.956 4.694 -14.289 1.00 0.00 C ATOM 765 C ILE A 48 9.648 5.943 -13.754 1.00 0.00 C ATOM 766 O ILE A 48 10.822 6.184 -14.034 1.00 0.00 O ATOM 767 CB ILE A 48 9.218 3.522 -13.325 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.727 2.209 -13.939 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.539 3.774 -11.988 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.769 1.040 -12.979 1.00 0.00 C ATOM 0 H ILE A 48 10.352 4.007 -15.695 1.00 0.00 H new ATOM 0 HA ILE A 48 7.882 4.873 -14.346 1.00 0.00 H new ATOM 0 HB ILE A 48 10.292 3.443 -13.156 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.704 2.342 -14.292 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.337 1.975 -14.811 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.733 2.937 -11.318 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.932 4.690 -11.547 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.464 3.876 -12.139 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.407 0.143 -13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.794 0.880 -12.645 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.136 1.254 -12.118 1.00 0.00 H new ATOM 782 N CYS A 49 8.912 6.734 -12.979 1.00 0.00 N ATOM 783 CA CYS A 49 9.454 7.958 -12.402 1.00 0.00 C ATOM 784 C CYS A 49 10.020 7.698 -11.009 1.00 0.00 C ATOM 785 O CYS A 49 9.949 6.580 -10.497 1.00 0.00 O ATOM 786 CB CYS A 49 8.371 9.036 -12.331 1.00 0.00 C ATOM 787 SG CYS A 49 8.216 10.035 -13.847 1.00 0.00 S ATOM 0 H CYS A 49 7.939 6.549 -12.737 1.00 0.00 H new ATOM 0 HA CYS A 49 10.263 8.306 -13.045 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.413 8.560 -12.123 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.587 9.698 -11.493 1.00 0.00 H new ATOM 792 N ASP A 50 10.582 8.737 -10.402 1.00 0.00 N ATOM 793 CA ASP A 50 11.160 8.622 -9.067 1.00 0.00 C ATOM 794 C ASP A 50 10.955 9.909 -8.274 1.00 0.00 C ATOM 795 O ASP A 50 11.170 11.008 -8.788 1.00 0.00 O ATOM 796 CB ASP A 50 12.652 8.298 -9.160 1.00 0.00 C ATOM 797 CG ASP A 50 13.118 7.391 -8.038 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.380 7.257 -7.039 1.00 0.00 O ATOM 799 OD2 ASP A 50 14.220 6.817 -8.158 1.00 0.00 O ATOM 0 H ASP A 50 10.650 9.668 -10.812 1.00 0.00 H new ATOM 0 HA ASP A 50 10.652 7.810 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.858 7.821 -10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.225 9.225 -9.135 1.00 0.00 H new ATOM 804 N TYR A 51 10.538 9.766 -7.021 1.00 0.00 N ATOM 805 CA TYR A 51 10.301 10.917 -6.158 1.00 0.00 C ATOM 806 C TYR A 51 11.207 10.874 -4.932 1.00 0.00 C ATOM 807 O TYR A 51 10.985 11.591 -3.956 1.00 0.00 O ATOM 808 CB TYR A 51 8.835 10.960 -5.722 1.00 0.00 C ATOM 809 CG TYR A 51 7.902 11.490 -6.787 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.683 12.855 -6.930 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.238 10.627 -7.649 1.00 0.00 C ATOM 812 CE1 TYR A 51 6.831 13.344 -7.901 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.385 11.107 -8.624 1.00 0.00 C ATOM 814 CZ TYR A 51 6.184 12.466 -8.745 1.00 0.00 C ATOM 815 OH TYR A 51 5.334 12.948 -9.714 1.00 0.00 O ATOM 0 H TYR A 51 10.357 8.864 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 51 10.531 11.819 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.519 9.956 -5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.748 11.583 -4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.188 13.545 -6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.391 9.562 -7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.672 14.408 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.878 10.422 -9.288 1.00 0.00 H new ATOM 0 HH TYR A 51 5.720 13.754 -10.117 1.00 0.00 H new