USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=7 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 -95:sc= -0.383 USER MOD Set 1.2: A 11 TYR OH : rot -15:sc= -1.05 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 10 ASN : amide:sc= 0.446 K(o=0.45,f=-0.64) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0962 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= -1.18! K(o=-1.2!,f=0.1) USER MOD Single : A 21 GLN : amide:sc= -1.36 K(o=-1.4,f=-5.8!) USER MOD Single : A 23 ASN : amide:sc= 0.436 K(o=0.44,f=-3.7!) 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= -0.0106 X(o=-0.011,f=-0.15) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0202 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= -0.645 K(o=-0.65,f=-1.8) USER MOD Single : A 46 GLN : amide:sc= -2.66! K(o=-2.7!,f=-1.3) USER MOD Single : A 51 TYR OH : rot 43:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.515 5.662 -6.573 1.00 0.00 N ATOM 63 CA LYS A 5 8.466 5.645 -8.030 1.00 0.00 C ATOM 64 C LYS A 5 7.036 5.452 -8.525 1.00 0.00 C ATOM 65 O LYS A 5 6.265 4.688 -7.943 1.00 0.00 O ATOM 66 CB LYS A 5 9.362 4.532 -8.579 1.00 0.00 C ATOM 67 CG LYS A 5 10.846 4.814 -8.423 1.00 0.00 C ATOM 68 CD LYS A 5 11.678 3.957 -9.362 1.00 0.00 C ATOM 69 CE LYS A 5 12.812 3.261 -8.625 1.00 0.00 C ATOM 70 NZ LYS A 5 13.865 2.775 -9.559 1.00 0.00 N ATOM 0 HA LYS A 5 8.830 6.607 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.122 3.599 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.138 4.384 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.040 5.868 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.147 4.624 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.040 3.212 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.088 4.580 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.255 3.950 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.414 2.420 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.620 2.307 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.449 2.098 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.263 3.580 -10.083 1.00 0.00 H new ATOM 84 N LYS A 6 6.688 6.146 -9.603 1.00 0.00 N ATOM 85 CA LYS A 6 5.352 6.049 -10.178 1.00 0.00 C ATOM 86 C LYS A 6 5.423 5.716 -11.665 1.00 0.00 C ATOM 87 O LYS A 6 6.211 6.303 -12.406 1.00 0.00 O ATOM 88 CB LYS A 6 4.590 7.361 -9.974 1.00 0.00 C ATOM 89 CG LYS A 6 3.743 7.383 -8.714 1.00 0.00 C ATOM 90 CD LYS A 6 4.258 8.404 -7.713 1.00 0.00 C ATOM 91 CE LYS A 6 3.394 8.443 -6.462 1.00 0.00 C ATOM 92 NZ LYS A 6 4.068 9.162 -5.345 1.00 0.00 N ATOM 0 H LYS A 6 7.314 6.783 -10.097 1.00 0.00 H new ATOM 0 HA LYS A 6 4.821 5.245 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.304 8.184 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.947 7.536 -10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.710 7.615 -8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.742 6.393 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.285 8.161 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.276 9.391 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.447 8.932 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.160 7.425 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.447 9.167 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.960 8.681 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.268 10.141 -5.633 1.00 0.00 H new ATOM 106 N VAL A 7 4.593 4.770 -12.095 1.00 0.00 N ATOM 107 CA VAL A 7 4.560 4.360 -13.493 1.00 0.00 C ATOM 108 C VAL A 7 3.918 5.434 -14.365 1.00 0.00 C ATOM 109 O VAL A 7 2.888 6.005 -14.007 1.00 0.00 O ATOM 110 CB VAL A 7 3.789 3.039 -13.673 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.410 3.135 -13.038 1.00 0.00 C ATOM 112 CG2 VAL A 7 3.682 2.682 -15.148 1.00 0.00 C ATOM 0 H VAL A 7 3.935 4.274 -11.494 1.00 0.00 H new ATOM 0 HA VAL A 7 5.594 4.213 -13.804 1.00 0.00 H new ATOM 0 HB VAL A 7 4.340 2.245 -13.169 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.880 2.193 -13.175 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.514 3.341 -11.973 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.847 3.940 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.134 1.746 -15.257 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.154 3.475 -15.677 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.681 2.569 -15.568 1.00 0.00 H new ATOM 122 N TYR A 8 4.532 5.702 -15.512 1.00 0.00 N ATOM 123 CA TYR A 8 4.022 6.709 -16.435 1.00 0.00 C ATOM 124 C TYR A 8 2.791 6.194 -17.176 1.00 0.00 C ATOM 125 O TYR A 8 2.725 5.025 -17.554 1.00 0.00 O ATOM 126 CB TYR A 8 5.106 7.107 -17.439 1.00 0.00 C ATOM 127 CG TYR A 8 5.148 8.590 -17.727 1.00 0.00 C ATOM 128 CD1 TYR A 8 4.081 9.229 -18.345 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.256 9.354 -17.380 1.00 0.00 C ATOM 130 CE1 TYR A 8 4.116 10.584 -18.611 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.300 10.710 -17.641 1.00 0.00 C ATOM 132 CZ TYR A 8 5.227 11.320 -18.257 1.00 0.00 C ATOM 133 OH TYR A 8 5.266 12.670 -18.519 1.00 0.00 O ATOM 0 H TYR A 8 5.384 5.236 -15.825 1.00 0.00 H new ATOM 0 HA TYR A 8 3.735 7.586 -15.854 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.077 6.792 -17.057 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.941 6.569 -18.372 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.208 8.656 -18.623 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.098 8.879 -16.898 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.278 11.064 -19.094 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.169 11.289 -17.365 1.00 0.00 H new ATOM 0 HH TYR A 8 5.724 12.825 -19.372 1.00 0.00 H new ATOM 143 N GLU A 9 1.819 7.078 -17.380 1.00 0.00 N ATOM 144 CA GLU A 9 0.591 6.714 -18.076 1.00 0.00 C ATOM 145 C GLU A 9 0.895 5.879 -19.316 1.00 0.00 C ATOM 146 O GLU A 9 0.337 4.798 -19.502 1.00 0.00 O ATOM 147 CB GLU A 9 -0.189 7.969 -18.471 1.00 0.00 C ATOM 148 CG GLU A 9 -0.428 8.927 -17.316 1.00 0.00 C ATOM 149 CD GLU A 9 -1.895 9.046 -16.950 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.447 8.073 -16.394 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.490 10.110 -17.220 1.00 0.00 O ATOM 0 H GLU A 9 1.858 8.050 -17.073 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.017 6.116 -17.397 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.354 8.491 -19.258 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.150 7.672 -18.890 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.133 8.588 -16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.042 9.912 -17.580 1.00 0.00 H new ATOM 158 N ASN A 10 1.783 6.389 -20.163 1.00 0.00 N ATOM 159 CA ASN A 10 2.161 5.692 -21.386 1.00 0.00 C ATOM 160 C ASN A 10 3.198 6.491 -22.170 1.00 0.00 C ATOM 161 O ASN A 10 2.895 7.552 -22.716 1.00 0.00 O ATOM 162 CB ASN A 10 0.928 5.442 -22.257 1.00 0.00 C ATOM 163 CG ASN A 10 -0.141 6.499 -22.062 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.238 6.207 -21.584 1.00 0.00 O ATOM 165 ND2 ASN A 10 0.174 7.735 -22.432 1.00 0.00 N ATOM 0 H ASN A 10 2.254 7.283 -20.024 1.00 0.00 H new ATOM 0 HA ASN A 10 2.601 4.735 -21.107 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.226 5.419 -23.305 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.513 4.462 -22.022 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.505 8.488 -22.325 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.095 7.931 -22.823 1.00 0.00 H new ATOM 172 N TYR A 11 4.420 5.974 -22.221 1.00 0.00 N ATOM 173 CA TYR A 11 5.503 6.640 -22.936 1.00 0.00 C ATOM 174 C TYR A 11 6.103 5.721 -23.995 1.00 0.00 C ATOM 175 O TYR A 11 5.980 4.497 -23.933 1.00 0.00 O ATOM 176 CB TYR A 11 6.590 7.087 -21.957 1.00 0.00 C ATOM 177 CG TYR A 11 6.643 8.585 -21.753 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.477 9.332 -21.644 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.859 9.252 -21.672 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.520 10.701 -21.459 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.912 10.620 -21.485 1.00 0.00 C ATOM 182 CZ TYR A 11 6.740 11.340 -21.380 1.00 0.00 C ATOM 183 OH TYR A 11 6.789 12.702 -21.195 1.00 0.00 O ATOM 0 H TYR A 11 4.686 5.096 -21.776 1.00 0.00 H new ATOM 0 HA TYR A 11 5.090 7.517 -23.434 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.422 6.604 -20.995 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.558 6.744 -22.321 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.520 8.834 -21.705 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.778 8.692 -21.757 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.604 11.267 -21.377 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.866 11.123 -21.421 1.00 0.00 H new ATOM 0 HH TYR A 11 5.908 13.089 -21.379 1.00 0.00 H new ATOM 193 N PRO A 12 6.770 6.323 -24.991 1.00 0.00 N ATOM 194 CA PRO A 12 7.404 5.578 -26.082 1.00 0.00 C ATOM 195 C PRO A 12 8.621 4.788 -25.614 1.00 0.00 C ATOM 196 O PRO A 12 9.517 5.333 -24.969 1.00 0.00 O ATOM 197 CB PRO A 12 7.824 6.676 -27.063 1.00 0.00 C ATOM 198 CG PRO A 12 7.979 7.896 -26.223 1.00 0.00 C ATOM 199 CD PRO A 12 6.955 7.777 -25.128 1.00 0.00 C ATOM 0 HA PRO A 12 6.732 4.836 -26.513 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.756 6.421 -27.567 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.072 6.822 -27.839 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.986 7.961 -25.811 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.817 8.799 -26.812 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.306 8.227 -24.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.024 8.277 -25.393 1.00 0.00 H new ATOM 207 N VAL A 13 8.648 3.501 -25.943 1.00 0.00 N ATOM 208 CA VAL A 13 9.756 2.636 -25.558 1.00 0.00 C ATOM 209 C VAL A 13 11.038 3.028 -26.285 1.00 0.00 C ATOM 210 O VAL A 13 12.141 2.786 -25.794 1.00 0.00 O ATOM 211 CB VAL A 13 9.443 1.157 -25.853 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.676 0.294 -25.627 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.282 0.677 -24.996 1.00 0.00 C ATOM 0 H VAL A 13 7.914 3.034 -26.476 1.00 0.00 H new ATOM 0 HA VAL A 13 9.897 2.762 -24.485 1.00 0.00 H new ATOM 0 HB VAL A 13 9.153 1.067 -26.900 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.435 -0.747 -25.840 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.477 0.624 -26.288 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.000 0.386 -24.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.075 -0.370 -25.218 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.540 0.781 -23.942 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.398 1.276 -25.213 1.00 0.00 H new ATOM 223 N SER A 14 10.885 3.634 -27.457 1.00 0.00 N ATOM 224 CA SER A 14 12.030 4.057 -28.254 1.00 0.00 C ATOM 225 C SER A 14 12.867 5.086 -27.500 1.00 0.00 C ATOM 226 O SER A 14 14.093 4.990 -27.448 1.00 0.00 O ATOM 227 CB SER A 14 11.562 4.643 -29.588 1.00 0.00 C ATOM 228 OG SER A 14 10.236 4.240 -29.884 1.00 0.00 O ATOM 0 H SER A 14 9.979 3.843 -27.876 1.00 0.00 H new ATOM 0 HA SER A 14 12.649 3.181 -28.447 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.615 5.731 -29.550 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.231 4.319 -30.386 1.00 0.00 H new ATOM 0 HG SER A 14 9.959 4.629 -30.740 1.00 0.00 H new ATOM 234 N LYS A 15 12.194 6.072 -26.916 1.00 0.00 N ATOM 235 CA LYS A 15 12.873 7.120 -26.162 1.00 0.00 C ATOM 236 C LYS A 15 13.398 6.583 -24.835 1.00 0.00 C ATOM 237 O LYS A 15 14.404 7.064 -24.313 1.00 0.00 O ATOM 238 CB LYS A 15 11.922 8.292 -25.910 1.00 0.00 C ATOM 239 CG LYS A 15 11.756 9.210 -27.108 1.00 0.00 C ATOM 240 CD LYS A 15 10.900 10.419 -26.771 1.00 0.00 C ATOM 241 CE LYS A 15 11.003 11.493 -27.843 1.00 0.00 C ATOM 242 NZ LYS A 15 10.296 12.742 -27.448 1.00 0.00 N ATOM 0 H LYS A 15 11.179 6.167 -26.950 1.00 0.00 H new ATOM 0 HA LYS A 15 13.720 7.468 -26.753 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.945 7.901 -25.624 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.292 8.874 -25.066 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.736 9.542 -27.452 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.300 8.658 -27.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.860 10.111 -26.663 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.212 10.831 -25.811 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.053 11.715 -28.034 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.582 11.117 -28.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.390 13.448 -28.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.289 12.536 -27.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.714 13.116 -26.572 1.00 0.00 H new ATOM 256 N CYS A 16 12.712 5.581 -24.294 1.00 0.00 N ATOM 257 CA CYS A 16 13.109 4.977 -23.029 1.00 0.00 C ATOM 258 C CYS A 16 14.540 4.452 -23.102 1.00 0.00 C ATOM 259 O CYS A 16 15.222 4.339 -22.084 1.00 0.00 O ATOM 260 CB CYS A 16 12.155 3.839 -22.661 1.00 0.00 C ATOM 261 SG CYS A 16 11.509 3.931 -20.960 1.00 0.00 S ATOM 0 H CYS A 16 11.878 5.171 -24.713 1.00 0.00 H new ATOM 0 HA CYS A 16 13.061 5.746 -22.258 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.316 3.843 -23.357 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.673 2.889 -22.791 1.00 0.00 H new ATOM 266 N GLN A 17 14.986 4.133 -24.313 1.00 0.00 N ATOM 267 CA GLN A 17 16.335 3.619 -24.519 1.00 0.00 C ATOM 268 C GLN A 17 17.375 4.571 -23.936 1.00 0.00 C ATOM 269 O GLN A 17 18.490 4.164 -23.609 1.00 0.00 O ATOM 270 CB GLN A 17 16.600 3.407 -26.010 1.00 0.00 C ATOM 271 CG GLN A 17 16.213 2.023 -26.506 1.00 0.00 C ATOM 272 CD GLN A 17 17.131 1.517 -27.600 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.115 0.826 -27.331 1.00 0.00 O ATOM 274 NE2 GLN A 17 16.815 1.858 -28.844 1.00 0.00 N ATOM 0 H GLN A 17 14.433 4.221 -25.166 1.00 0.00 H new ATOM 0 HA GLN A 17 16.415 2.662 -24.003 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.048 4.155 -26.579 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.659 3.572 -26.209 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.231 1.324 -25.670 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.189 2.048 -26.879 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.991 2.432 -29.022 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.397 1.546 -29.622 1.00 0.00 H new ATOM 283 N LEU A 18 17.002 5.840 -23.808 1.00 0.00 N ATOM 284 CA LEU A 18 17.903 6.850 -23.264 1.00 0.00 C ATOM 285 C LEU A 18 17.464 7.276 -21.867 1.00 0.00 C ATOM 286 O LEU A 18 16.416 7.899 -21.697 1.00 0.00 O ATOM 287 CB LEU A 18 17.952 8.068 -24.189 1.00 0.00 C ATOM 288 CG LEU A 18 18.273 7.785 -25.656 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.220 9.067 -26.472 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.638 7.124 -25.785 1.00 0.00 C ATOM 0 H LEU A 18 16.083 6.194 -24.073 1.00 0.00 H new ATOM 0 HA LEU A 18 18.899 6.413 -23.194 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.988 8.575 -24.140 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.698 8.763 -23.802 1.00 0.00 H new ATOM 0 HG LEU A 18 17.521 7.100 -26.047 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.451 8.845 -27.514 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.222 9.499 -26.406 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.949 9.777 -26.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.850 6.930 -26.836 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.402 7.785 -25.377 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.640 6.183 -25.234 1.00 0.00 H new ATOM 302 N ALA A 19 18.273 6.937 -20.869 1.00 0.00 N ATOM 303 CA ALA A 19 17.971 7.287 -19.487 1.00 0.00 C ATOM 304 C ALA A 19 17.815 8.795 -19.324 1.00 0.00 C ATOM 305 O ALA A 19 17.067 9.262 -18.467 1.00 0.00 O ATOM 306 CB ALA A 19 19.058 6.764 -18.560 1.00 0.00 C ATOM 0 H ALA A 19 19.143 6.420 -20.992 1.00 0.00 H new ATOM 0 HA ALA A 19 17.024 6.819 -19.219 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.819 7.033 -17.531 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.119 5.679 -18.647 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.016 7.205 -18.837 1.00 0.00 H new ATOM 312 N ASN A 20 18.527 9.552 -20.153 1.00 0.00 N ATOM 313 CA ASN A 20 18.468 11.008 -20.100 1.00 0.00 C ATOM 314 C ASN A 20 17.110 11.515 -20.576 1.00 0.00 C ATOM 315 O ASN A 20 16.715 12.639 -20.269 1.00 0.00 O ATOM 316 CB ASN A 20 19.580 11.616 -20.957 1.00 0.00 C ATOM 317 CG ASN A 20 20.856 10.797 -20.914 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.749 11.059 -20.108 1.00 0.00 O ATOM 319 ND2 ASN A 20 20.947 9.798 -21.785 1.00 0.00 N ATOM 0 H ASN A 20 19.151 9.181 -20.869 1.00 0.00 H new ATOM 0 HA ASN A 20 18.608 11.315 -19.063 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.237 11.696 -21.989 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.789 12.628 -20.611 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.782 9.212 -21.804 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.182 9.617 -22.435 1.00 0.00 H new ATOM 326 N GLN A 21 16.401 10.678 -21.326 1.00 0.00 N ATOM 327 CA GLN A 21 15.088 11.042 -21.844 1.00 0.00 C ATOM 328 C GLN A 21 14.006 10.817 -20.792 1.00 0.00 C ATOM 329 O GLN A 21 13.326 11.755 -20.375 1.00 0.00 O ATOM 330 CB GLN A 21 14.769 10.231 -23.101 1.00 0.00 C ATOM 331 CG GLN A 21 15.157 10.933 -24.392 1.00 0.00 C ATOM 332 CD GLN A 21 14.010 11.719 -24.997 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.543 11.413 -26.094 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.549 12.738 -24.281 1.00 0.00 N ATOM 0 H GLN A 21 16.714 9.743 -21.588 1.00 0.00 H new ATOM 0 HA GLN A 21 15.107 12.102 -22.099 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.288 9.274 -23.047 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.701 10.014 -23.122 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.992 11.607 -24.198 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.505 10.193 -25.113 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.967 12.956 -23.376 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.777 13.303 -24.636 1.00 0.00 H new ATOM 343 N CYS A 22 13.852 9.567 -20.367 1.00 0.00 N ATOM 344 CA CYS A 22 12.853 9.218 -19.364 1.00 0.00 C ATOM 345 C CYS A 22 12.962 10.131 -18.147 1.00 0.00 C ATOM 346 O CYS A 22 11.956 10.622 -17.635 1.00 0.00 O ATOM 347 CB CYS A 22 13.018 7.758 -18.937 1.00 0.00 C ATOM 348 SG CYS A 22 11.468 6.956 -18.416 1.00 0.00 S ATOM 0 H CYS A 22 14.406 8.779 -20.702 1.00 0.00 H new ATOM 0 HA CYS A 22 11.866 9.351 -19.808 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.445 7.194 -19.766 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.733 7.709 -18.116 1.00 0.00 H new ATOM 353 N ASN A 23 14.189 10.355 -17.689 1.00 0.00 N ATOM 354 CA ASN A 23 14.430 11.209 -16.532 1.00 0.00 C ATOM 355 C ASN A 23 14.049 12.655 -16.835 1.00 0.00 C ATOM 356 O ASN A 23 13.209 13.243 -16.153 1.00 0.00 O ATOM 357 CB ASN A 23 15.899 11.134 -16.113 1.00 0.00 C ATOM 358 CG ASN A 23 16.129 11.663 -14.710 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.287 10.893 -13.763 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.147 12.984 -14.572 1.00 0.00 N ATOM 0 H ASN A 23 15.032 9.957 -18.102 1.00 0.00 H new ATOM 0 HA ASN A 23 13.807 10.852 -15.712 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.237 10.099 -16.168 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.504 11.705 -16.817 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.296 13.399 -13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.011 13.584 -15.386 1.00 0.00 H new ATOM 367 N TYR A 24 14.673 13.223 -17.862 1.00 0.00 N ATOM 368 CA TYR A 24 14.401 14.600 -18.254 1.00 0.00 C ATOM 369 C TYR A 24 12.903 14.832 -18.428 1.00 0.00 C ATOM 370 O TYR A 24 12.356 15.820 -17.939 1.00 0.00 O ATOM 371 CB TYR A 24 15.135 14.936 -19.554 1.00 0.00 C ATOM 372 CG TYR A 24 14.902 16.352 -20.032 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.284 17.440 -19.256 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.299 16.602 -21.258 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.073 18.735 -19.688 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.086 17.893 -21.699 1.00 0.00 C ATOM 377 CZ TYR A 24 14.474 18.956 -20.911 1.00 0.00 C ATOM 378 OH TYR A 24 14.261 20.244 -21.346 1.00 0.00 O ATOM 0 H TYR A 24 15.370 12.750 -18.437 1.00 0.00 H new ATOM 0 HA TYR A 24 14.761 15.255 -17.461 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.204 14.782 -19.408 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.816 14.242 -20.331 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.754 17.270 -18.299 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.991 15.772 -21.877 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.375 19.569 -19.072 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.618 18.069 -22.656 1.00 0.00 H new ATOM 0 HH TYR A 24 13.831 20.225 -22.226 1.00 0.00 H new ATOM 388 N ASP A 25 12.247 13.914 -19.129 1.00 0.00 N ATOM 389 CA ASP A 25 10.812 14.015 -19.367 1.00 0.00 C ATOM 390 C ASP A 25 10.031 13.840 -18.068 1.00 0.00 C ATOM 391 O ASP A 25 9.055 14.548 -17.818 1.00 0.00 O ATOM 392 CB ASP A 25 10.367 12.968 -20.389 1.00 0.00 C ATOM 393 CG ASP A 25 9.435 13.541 -21.438 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.693 14.492 -21.115 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.446 13.037 -22.581 1.00 0.00 O ATOM 0 H ASP A 25 12.686 13.091 -19.542 1.00 0.00 H new ATOM 0 HA ASP A 25 10.605 15.009 -19.763 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.245 12.547 -20.879 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.867 12.149 -19.872 1.00 0.00 H new ATOM 400 N CYS A 26 10.467 12.893 -17.245 1.00 0.00 N ATOM 401 CA CYS A 26 9.810 12.622 -15.972 1.00 0.00 C ATOM 402 C CYS A 26 9.883 13.838 -15.053 1.00 0.00 C ATOM 403 O CYS A 26 8.890 14.224 -14.435 1.00 0.00 O ATOM 404 CB CYS A 26 10.452 11.414 -15.289 1.00 0.00 C ATOM 405 SG CYS A 26 9.911 11.158 -13.568 1.00 0.00 S ATOM 0 H CYS A 26 11.274 12.299 -17.437 1.00 0.00 H new ATOM 0 HA CYS A 26 8.761 12.402 -16.173 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.223 10.519 -15.867 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.535 11.535 -15.304 1.00 0.00 H new ATOM 410 N LYS A 27 11.065 14.439 -14.968 1.00 0.00 N ATOM 411 CA LYS A 27 11.269 15.612 -14.127 1.00 0.00 C ATOM 412 C LYS A 27 10.729 16.868 -14.804 1.00 0.00 C ATOM 413 O LYS A 27 10.784 17.962 -14.240 1.00 0.00 O ATOM 414 CB LYS A 27 12.757 15.788 -13.814 1.00 0.00 C ATOM 415 CG LYS A 27 13.025 16.694 -12.625 1.00 0.00 C ATOM 416 CD LYS A 27 14.092 17.729 -12.941 1.00 0.00 C ATOM 417 CE LYS A 27 13.535 18.862 -13.789 1.00 0.00 C ATOM 418 NZ LYS A 27 14.605 19.792 -14.244 1.00 0.00 N ATOM 0 H LYS A 27 11.897 14.132 -15.472 1.00 0.00 H new ATOM 0 HA LYS A 27 10.723 15.460 -13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.197 14.810 -13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.259 16.196 -14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.103 17.198 -12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.341 16.093 -11.772 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.495 18.133 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.919 17.252 -13.467 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.021 18.448 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.793 19.416 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.185 20.550 -14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.079 20.207 -13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.300 19.269 -14.815 1.00 0.00 H new ATOM 432 N LEU A 28 10.207 16.703 -16.014 1.00 0.00 N ATOM 433 CA LEU A 28 9.656 17.824 -16.768 1.00 0.00 C ATOM 434 C LEU A 28 8.132 17.826 -16.703 1.00 0.00 C ATOM 435 O LEU A 28 7.516 18.839 -16.370 1.00 0.00 O ATOM 436 CB LEU A 28 10.115 17.760 -18.226 1.00 0.00 C ATOM 437 CG LEU A 28 9.617 18.882 -19.137 1.00 0.00 C ATOM 438 CD1 LEU A 28 10.340 20.183 -18.825 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.803 18.504 -20.599 1.00 0.00 C ATOM 0 H LEU A 28 10.154 15.805 -16.494 1.00 0.00 H new ATOM 0 HA LEU A 28 10.023 18.747 -16.319 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.205 17.762 -18.243 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.792 16.808 -18.646 1.00 0.00 H new ATOM 0 HG LEU A 28 8.553 19.028 -18.953 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.973 20.970 -19.483 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.156 20.462 -17.788 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.411 20.051 -18.980 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.443 19.314 -21.233 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.860 18.330 -20.798 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.239 17.597 -20.815 1.00 0.00 H new ATOM 451 N ASP A 29 7.530 16.686 -17.021 1.00 0.00 N ATOM 452 CA ASP A 29 6.077 16.555 -16.996 1.00 0.00 C ATOM 453 C ASP A 29 5.589 16.191 -15.598 1.00 0.00 C ATOM 454 O ASP A 29 4.658 16.804 -15.074 1.00 0.00 O ATOM 455 CB ASP A 29 5.622 15.495 -18.001 1.00 0.00 C ATOM 456 CG ASP A 29 4.980 16.103 -19.232 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.520 17.103 -19.750 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.937 15.580 -19.678 1.00 0.00 O ATOM 0 H ASP A 29 8.025 15.839 -17.299 1.00 0.00 H new ATOM 0 HA ASP A 29 5.645 17.516 -17.273 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.479 14.892 -18.302 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.912 14.822 -17.519 1.00 0.00 H new ATOM 463 N LYS A 30 6.222 15.189 -14.997 1.00 0.00 N ATOM 464 CA LYS A 30 5.854 14.743 -13.659 1.00 0.00 C ATOM 465 C LYS A 30 6.585 15.554 -12.594 1.00 0.00 C ATOM 466 O LYS A 30 6.182 15.574 -11.430 1.00 0.00 O ATOM 467 CB LYS A 30 6.171 13.255 -13.490 1.00 0.00 C ATOM 468 CG LYS A 30 5.687 12.395 -14.644 1.00 0.00 C ATOM 469 CD LYS A 30 4.729 11.314 -14.171 1.00 0.00 C ATOM 470 CE LYS A 30 3.796 10.870 -15.287 1.00 0.00 C ATOM 471 NZ LYS A 30 2.430 10.565 -14.778 1.00 0.00 N ATOM 0 H LYS A 30 6.993 14.670 -15.416 1.00 0.00 H new ATOM 0 HA LYS A 30 4.782 14.896 -13.534 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.249 13.132 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.716 12.898 -12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.191 13.023 -15.384 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.542 11.934 -15.139 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.296 10.457 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.142 11.688 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.736 11.653 -16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.208 9.987 -15.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.824 10.266 -15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.484 9.801 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.027 11.415 -14.335 1.00 0.00 H new ATOM 485 N HIS A 31 7.660 16.221 -12.999 1.00 0.00 N ATOM 486 CA HIS A 31 8.446 17.036 -12.080 1.00 0.00 C ATOM 487 C HIS A 31 8.982 16.191 -10.928 1.00 0.00 C ATOM 488 O HIS A 31 9.221 16.699 -9.832 1.00 0.00 O ATOM 489 CB HIS A 31 7.599 18.186 -11.533 1.00 0.00 C ATOM 490 CG HIS A 31 8.377 19.446 -11.305 1.00 0.00 C ATOM 491 ND1 HIS A 31 9.100 20.074 -12.296 1.00 0.00 N ATOM 492 CD2 HIS A 31 8.540 20.196 -10.190 1.00 0.00 C ATOM 493 CE1 HIS A 31 9.676 21.155 -11.801 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.351 21.252 -10.524 1.00 0.00 N ATOM 0 H HIS A 31 8.007 16.213 -13.958 1.00 0.00 H new ATOM 0 HA HIS A 31 9.292 17.448 -12.630 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.786 18.391 -12.230 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.142 17.875 -10.593 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.112 20.000 -9.218 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.305 21.842 -12.347 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.653 21.991 -9.890 1.00 0.00 H new ATOM 502 N ALA A 32 9.167 14.901 -11.183 1.00 0.00 N ATOM 503 CA ALA A 32 9.676 13.986 -10.168 1.00 0.00 C ATOM 504 C ALA A 32 11.177 14.165 -9.972 1.00 0.00 C ATOM 505 O ALA A 32 11.880 14.628 -10.870 1.00 0.00 O ATOM 506 CB ALA A 32 9.359 12.547 -10.548 1.00 0.00 C ATOM 0 H ALA A 32 8.972 14.465 -12.084 1.00 0.00 H new ATOM 0 HA ALA A 32 9.182 14.218 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.745 11.875 -9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.279 12.422 -10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.826 12.312 -11.505 1.00 0.00 H new ATOM 512 N ARG A 33 11.663 13.795 -8.791 1.00 0.00 N ATOM 513 CA ARG A 33 13.081 13.917 -8.476 1.00 0.00 C ATOM 514 C ARG A 33 13.938 13.309 -9.583 1.00 0.00 C ATOM 515 O ARG A 33 14.915 13.912 -10.027 1.00 0.00 O ATOM 516 CB ARG A 33 13.390 13.232 -7.144 1.00 0.00 C ATOM 517 CG ARG A 33 13.117 14.106 -5.931 1.00 0.00 C ATOM 518 CD ARG A 33 13.896 13.632 -4.715 1.00 0.00 C ATOM 519 NE ARG A 33 13.033 13.445 -3.551 1.00 0.00 N ATOM 520 CZ ARG A 33 12.547 14.448 -2.828 1.00 0.00 C ATOM 521 NH1 ARG A 33 12.836 15.702 -3.149 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.768 14.198 -1.783 1.00 0.00 N ATOM 0 H ARG A 33 11.095 13.408 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 33 13.320 14.978 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.795 12.322 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.437 12.930 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.386 15.138 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.050 14.096 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.397 12.693 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.674 14.358 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 33 12.790 12.492 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.433 15.898 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.462 16.470 -2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.542 13.235 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.395 14.969 -1.229 1.00 0.00 H new ATOM 536 N SER A 34 13.564 12.112 -10.024 1.00 0.00 N ATOM 537 CA SER A 34 14.301 11.421 -11.076 1.00 0.00 C ATOM 538 C SER A 34 13.371 10.529 -11.893 1.00 0.00 C ATOM 539 O SER A 34 12.159 10.518 -11.683 1.00 0.00 O ATOM 540 CB SER A 34 15.429 10.583 -10.472 1.00 0.00 C ATOM 541 OG SER A 34 15.535 10.801 -9.076 1.00 0.00 O ATOM 0 H SER A 34 12.756 11.601 -9.669 1.00 0.00 H new ATOM 0 HA SER A 34 14.731 12.172 -11.738 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.245 9.526 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.373 10.836 -10.955 1.00 0.00 H new ATOM 0 HG SER A 34 16.262 10.253 -8.714 1.00 0.00 H new ATOM 547 N GLY A 35 13.950 9.781 -12.828 1.00 0.00 N ATOM 548 CA GLY A 35 13.160 8.896 -13.664 1.00 0.00 C ATOM 549 C GLY A 35 14.005 7.848 -14.360 1.00 0.00 C ATOM 550 O GLY A 35 15.035 8.167 -14.953 1.00 0.00 O ATOM 0 H GLY A 35 14.952 9.772 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.405 8.402 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.629 9.485 -14.412 1.00 0.00 H new ATOM 554 N GLU A 36 13.569 6.594 -14.287 1.00 0.00 N ATOM 555 CA GLU A 36 14.296 5.496 -14.913 1.00 0.00 C ATOM 556 C GLU A 36 13.363 4.644 -15.769 1.00 0.00 C ATOM 557 O GLU A 36 12.144 4.817 -15.739 1.00 0.00 O ATOM 558 CB GLU A 36 14.966 4.626 -13.848 1.00 0.00 C ATOM 559 CG GLU A 36 16.361 5.093 -13.470 1.00 0.00 C ATOM 560 CD GLU A 36 16.381 5.883 -12.175 1.00 0.00 C ATOM 561 OE1 GLU A 36 16.230 7.121 -12.234 1.00 0.00 O ATOM 562 OE2 GLU A 36 16.547 5.263 -11.104 1.00 0.00 O ATOM 0 H GLU A 36 12.717 6.314 -13.801 1.00 0.00 H new ATOM 0 HA GLU A 36 15.064 5.923 -15.558 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.341 4.614 -12.955 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.022 3.600 -14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.016 4.227 -13.373 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.764 5.709 -14.274 1.00 0.00 H new ATOM 569 N CYS A 37 13.944 3.724 -16.531 1.00 0.00 N ATOM 570 CA CYS A 37 13.166 2.845 -17.397 1.00 0.00 C ATOM 571 C CYS A 37 13.212 1.406 -16.891 1.00 0.00 C ATOM 572 O CYS A 37 14.242 0.940 -16.403 1.00 0.00 O ATOM 573 CB CYS A 37 13.694 2.910 -18.831 1.00 0.00 C ATOM 574 SG CYS A 37 13.184 4.403 -19.743 1.00 0.00 S ATOM 0 H CYS A 37 14.951 3.567 -16.567 1.00 0.00 H new ATOM 0 HA CYS A 37 12.130 3.184 -17.383 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.783 2.865 -18.809 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.350 2.030 -19.374 1.00 0.00 H new ATOM 579 N PHE A 38 12.088 0.706 -17.013 1.00 0.00 N ATOM 580 CA PHE A 38 11.999 -0.680 -16.568 1.00 0.00 C ATOM 581 C PHE A 38 11.754 -1.615 -17.749 1.00 0.00 C ATOM 582 O PHE A 38 11.335 -1.181 -18.822 1.00 0.00 O ATOM 583 CB PHE A 38 10.878 -0.836 -15.539 1.00 0.00 C ATOM 584 CG PHE A 38 11.304 -0.514 -14.135 1.00 0.00 C ATOM 585 CD1 PHE A 38 11.938 0.684 -13.847 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.071 -1.409 -13.104 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.333 0.982 -12.556 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.462 -1.117 -11.811 1.00 0.00 C ATOM 589 CZ PHE A 38 12.093 0.081 -11.537 1.00 0.00 C ATOM 0 H PHE A 38 11.227 1.076 -17.416 1.00 0.00 H new ATOM 0 HA PHE A 38 12.948 -0.949 -16.105 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.048 -0.186 -15.816 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.506 -1.860 -15.571 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.126 1.393 -14.640 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.578 -2.347 -13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.829 1.918 -12.345 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.275 -1.824 -11.016 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.398 0.313 -10.527 1.00 0.00 H new ATOM 599 N TYR A 39 12.020 -2.900 -17.543 1.00 0.00 N ATOM 600 CA TYR A 39 11.832 -3.897 -18.591 1.00 0.00 C ATOM 601 C TYR A 39 10.572 -4.719 -18.340 1.00 0.00 C ATOM 602 O TYR A 39 10.605 -5.730 -17.638 1.00 0.00 O ATOM 603 CB TYR A 39 13.050 -4.819 -18.670 1.00 0.00 C ATOM 604 CG TYR A 39 13.862 -4.643 -19.933 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.249 -4.619 -21.179 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.243 -4.499 -19.880 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.987 -4.459 -22.336 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.989 -4.337 -21.031 1.00 0.00 C ATOM 609 CZ TYR A 39 15.357 -4.318 -22.257 1.00 0.00 C ATOM 610 OH TYR A 39 16.096 -4.156 -23.406 1.00 0.00 O ATOM 0 H TYR A 39 12.366 -3.276 -16.660 1.00 0.00 H new ATOM 0 HA TYR A 39 11.719 -3.374 -19.540 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.691 -4.635 -17.808 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.716 -5.855 -18.604 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.176 -4.727 -21.245 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.742 -4.514 -18.922 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.494 -4.444 -23.297 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.062 -4.226 -20.971 1.00 0.00 H new ATOM 0 HH TYR A 39 17.045 -4.070 -23.175 1.00 0.00 H new ATOM 620 N LYS A 40 9.461 -4.278 -18.919 1.00 0.00 N ATOM 621 CA LYS A 40 8.188 -4.972 -18.762 1.00 0.00 C ATOM 622 C LYS A 40 7.962 -5.959 -19.903 1.00 0.00 C ATOM 623 O LYS A 40 8.743 -6.013 -20.852 1.00 0.00 O ATOM 624 CB LYS A 40 7.037 -3.965 -18.709 1.00 0.00 C ATOM 625 CG LYS A 40 6.222 -4.040 -17.430 1.00 0.00 C ATOM 626 CD LYS A 40 4.817 -4.555 -17.693 1.00 0.00 C ATOM 627 CE LYS A 40 4.294 -5.372 -16.522 1.00 0.00 C ATOM 628 NZ LYS A 40 3.827 -4.503 -15.405 1.00 0.00 N ATOM 0 H LYS A 40 9.416 -3.442 -19.502 1.00 0.00 H new ATOM 0 HA LYS A 40 8.219 -5.528 -17.825 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.441 -2.958 -18.814 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.378 -4.134 -19.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.723 -4.694 -16.716 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.169 -3.052 -16.973 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.149 -3.714 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.816 -5.168 -18.595 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.472 -6.004 -16.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.080 -6.036 -16.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.478 -5.097 -14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.617 -3.917 -15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.059 -3.887 -15.742 1.00 0.00 H new ATOM 642 N GLU A 41 6.888 -6.736 -19.803 1.00 0.00 N ATOM 643 CA GLU A 41 6.560 -7.720 -20.829 1.00 0.00 C ATOM 644 C GLU A 41 7.776 -8.579 -21.167 1.00 0.00 C ATOM 645 O GLU A 41 8.757 -8.608 -20.424 1.00 0.00 O ATOM 646 CB GLU A 41 6.048 -7.023 -22.090 1.00 0.00 C ATOM 647 CG GLU A 41 4.978 -5.979 -21.817 1.00 0.00 C ATOM 648 CD GLU A 41 3.787 -6.545 -21.069 1.00 0.00 C ATOM 649 OE1 GLU A 41 3.616 -7.782 -21.077 1.00 0.00 O ATOM 650 OE2 GLU A 41 3.026 -5.752 -20.476 1.00 0.00 O ATOM 0 H GLU A 41 6.231 -6.704 -19.023 1.00 0.00 H new ATOM 0 HA GLU A 41 5.776 -8.368 -20.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.887 -6.547 -22.598 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.647 -7.773 -22.772 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.411 -5.163 -21.238 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.640 -5.555 -22.763 1.00 0.00 H new ATOM 657 N LYS A 42 7.703 -9.279 -22.294 1.00 0.00 N ATOM 658 CA LYS A 42 8.795 -10.139 -22.733 1.00 0.00 C ATOM 659 C LYS A 42 9.903 -9.319 -23.388 1.00 0.00 C ATOM 660 O LYS A 42 11.084 -9.515 -23.102 1.00 0.00 O ATOM 661 CB LYS A 42 8.279 -11.193 -23.715 1.00 0.00 C ATOM 662 CG LYS A 42 8.627 -12.617 -23.316 1.00 0.00 C ATOM 663 CD LYS A 42 9.989 -13.028 -23.850 1.00 0.00 C ATOM 664 CE LYS A 42 11.099 -12.686 -22.868 1.00 0.00 C ATOM 665 NZ LYS A 42 11.663 -13.903 -22.221 1.00 0.00 N ATOM 0 H LYS A 42 6.898 -9.267 -22.920 1.00 0.00 H new ATOM 0 HA LYS A 42 9.206 -10.639 -21.856 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.196 -11.102 -23.797 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.692 -10.990 -24.703 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.620 -12.704 -22.229 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.866 -13.299 -23.695 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.995 -14.100 -24.049 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.175 -12.527 -24.800 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.893 -12.151 -23.389 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.712 -12.014 -22.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.416 -13.627 -21.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.911 -14.400 -21.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.056 -14.533 -22.949 1.00 0.00 H new ATOM 679 N ARG A 43 9.513 -8.401 -24.266 1.00 0.00 N ATOM 680 CA ARG A 43 10.474 -7.552 -24.961 1.00 0.00 C ATOM 681 C ARG A 43 10.152 -6.076 -24.744 1.00 0.00 C ATOM 682 O ARG A 43 11.051 -5.241 -24.659 1.00 0.00 O ATOM 683 CB ARG A 43 10.478 -7.869 -26.458 1.00 0.00 C ATOM 684 CG ARG A 43 10.861 -9.305 -26.775 1.00 0.00 C ATOM 685 CD ARG A 43 11.433 -9.432 -28.178 1.00 0.00 C ATOM 686 NE ARG A 43 10.469 -10.005 -29.113 1.00 0.00 N ATOM 687 CZ ARG A 43 10.574 -9.901 -30.433 1.00 0.00 C ATOM 688 NH1 ARG A 43 11.597 -9.250 -30.970 1.00 0.00 N ATOM 689 NH2 ARG A 43 9.656 -10.449 -31.218 1.00 0.00 N ATOM 0 H ARG A 43 8.539 -8.226 -24.513 1.00 0.00 H new ATOM 0 HA ARG A 43 11.463 -7.755 -24.551 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.488 -7.667 -26.866 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.173 -7.197 -26.961 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.594 -9.656 -26.049 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.985 -9.946 -26.679 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.742 -8.449 -28.533 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.326 -10.056 -28.150 1.00 0.00 H new ATOM 0 HE ARG A 43 9.671 -10.513 -28.732 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.305 -8.828 -30.369 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.676 -9.171 -31.984 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.868 -10.951 -30.808 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.738 -10.368 -32.232 1.00 0.00 H new ATOM 703 N ASN A 44 8.863 -5.764 -24.655 1.00 0.00 N ATOM 704 CA ASN A 44 8.422 -4.389 -24.449 1.00 0.00 C ATOM 705 C ASN A 44 9.179 -3.743 -23.293 1.00 0.00 C ATOM 706 O ASN A 44 9.840 -4.426 -22.510 1.00 0.00 O ATOM 707 CB ASN A 44 6.918 -4.350 -24.174 1.00 0.00 C ATOM 708 CG ASN A 44 6.320 -2.978 -24.423 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.640 -2.320 -25.412 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.447 -2.541 -23.523 1.00 0.00 N ATOM 0 H ASN A 44 8.106 -6.444 -24.722 1.00 0.00 H new ATOM 0 HA ASN A 44 8.633 -3.826 -25.358 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.417 -5.082 -24.807 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.733 -4.642 -23.140 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.012 -1.625 -23.637 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.211 -3.121 -22.718 1.00 0.00 H new ATOM 717 N LEU A 45 9.077 -2.422 -23.191 1.00 0.00 N ATOM 718 CA LEU A 45 9.752 -1.682 -22.130 1.00 0.00 C ATOM 719 C LEU A 45 8.796 -0.701 -21.458 1.00 0.00 C ATOM 720 O LEU A 45 7.805 -0.280 -22.054 1.00 0.00 O ATOM 721 CB LEU A 45 10.959 -0.931 -22.693 1.00 0.00 C ATOM 722 CG LEU A 45 12.124 -0.712 -21.727 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.451 -0.790 -22.464 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.984 0.627 -21.018 1.00 0.00 C ATOM 0 H LEU A 45 8.534 -1.842 -23.830 1.00 0.00 H new ATOM 0 HA LEU A 45 10.094 -2.398 -21.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.330 -1.478 -23.560 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.622 0.042 -23.050 1.00 0.00 H new ATOM 0 HG LEU A 45 12.102 -1.502 -20.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.268 -0.632 -21.760 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.554 -1.772 -22.925 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.484 -0.022 -23.237 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.822 0.766 -20.335 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.980 1.430 -21.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.050 0.645 -20.456 1.00 0.00 H new ATOM 736 N GLN A 46 9.102 -0.341 -20.216 1.00 0.00 N ATOM 737 CA GLN A 46 8.271 0.592 -19.465 1.00 0.00 C ATOM 738 C GLN A 46 9.098 1.765 -18.950 1.00 0.00 C ATOM 739 O GLN A 46 10.329 1.729 -18.975 1.00 0.00 O ATOM 740 CB GLN A 46 7.595 -0.124 -18.294 1.00 0.00 C ATOM 741 CG GLN A 46 6.110 -0.370 -18.506 1.00 0.00 C ATOM 742 CD GLN A 46 5.323 0.916 -18.663 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.980 1.316 -19.776 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.030 1.571 -17.545 1.00 0.00 N ATOM 0 H GLN A 46 9.919 -0.681 -19.709 1.00 0.00 H new ATOM 0 HA GLN A 46 7.505 0.979 -20.137 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.093 -1.079 -18.127 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.731 0.469 -17.389 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.971 -0.988 -19.393 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.714 -0.933 -17.661 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.334 1.203 -16.644 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.501 2.442 -17.588 1.00 0.00 H new ATOM 753 N CYS A 47 8.414 2.805 -18.484 1.00 0.00 N ATOM 754 CA CYS A 47 9.085 3.991 -17.964 1.00 0.00 C ATOM 755 C CYS A 47 8.470 4.425 -16.637 1.00 0.00 C ATOM 756 O CYS A 47 7.311 4.839 -16.585 1.00 0.00 O ATOM 757 CB CYS A 47 9.002 5.135 -18.977 1.00 0.00 C ATOM 758 SG CYS A 47 10.619 5.695 -19.600 1.00 0.00 S ATOM 0 H CYS A 47 7.395 2.850 -18.456 1.00 0.00 H new ATOM 0 HA CYS A 47 10.132 3.741 -17.794 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.390 4.815 -19.821 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.491 5.979 -18.515 1.00 0.00 H new ATOM 763 N ILE A 48 9.253 4.329 -15.568 1.00 0.00 N ATOM 764 CA ILE A 48 8.786 4.714 -14.242 1.00 0.00 C ATOM 765 C ILE A 48 9.534 5.940 -13.730 1.00 0.00 C ATOM 766 O ILE A 48 10.722 6.115 -14.003 1.00 0.00 O ATOM 767 CB ILE A 48 8.955 3.564 -13.231 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.472 2.246 -13.839 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.196 3.872 -11.949 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.263 1.150 -12.818 1.00 0.00 C ATOM 0 H ILE A 48 10.214 3.988 -15.594 1.00 0.00 H new ATOM 0 HA ILE A 48 7.726 4.952 -14.337 1.00 0.00 H new ATOM 0 HB ILE A 48 10.013 3.464 -12.989 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.536 2.421 -14.369 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.198 1.909 -14.579 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.324 3.051 -11.244 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.582 4.792 -11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.137 3.995 -12.174 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.921 0.245 -13.320 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.203 0.947 -12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.514 1.467 -12.092 1.00 0.00 H new ATOM 782 N CYS A 49 8.831 6.786 -12.985 1.00 0.00 N ATOM 783 CA CYS A 49 9.427 7.996 -12.432 1.00 0.00 C ATOM 784 C CYS A 49 10.001 7.735 -11.043 1.00 0.00 C ATOM 785 O CYS A 49 9.889 6.629 -10.512 1.00 0.00 O ATOM 786 CB CYS A 49 8.388 9.117 -12.364 1.00 0.00 C ATOM 787 SG CYS A 49 8.262 10.107 -13.888 1.00 0.00 S ATOM 0 H CYS A 49 7.847 6.656 -12.750 1.00 0.00 H new ATOM 0 HA CYS A 49 10.240 8.303 -13.090 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.413 8.682 -12.145 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.636 9.778 -11.534 1.00 0.00 H new ATOM 792 N ASP A 50 10.614 8.758 -10.460 1.00 0.00 N ATOM 793 CA ASP A 50 11.204 8.641 -9.131 1.00 0.00 C ATOM 794 C ASP A 50 10.997 9.921 -8.329 1.00 0.00 C ATOM 795 O ASP A 50 11.128 11.025 -8.857 1.00 0.00 O ATOM 796 CB ASP A 50 12.698 8.328 -9.239 1.00 0.00 C ATOM 797 CG ASP A 50 12.960 6.938 -9.786 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.572 6.673 -10.942 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.553 6.116 -9.056 1.00 0.00 O ATOM 0 H ASP A 50 10.716 9.679 -10.887 1.00 0.00 H new ATOM 0 HA ASP A 50 10.706 7.823 -8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.175 9.065 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.158 8.421 -8.255 1.00 0.00 H new ATOM 804 N TYR A 51 10.671 9.766 -7.050 1.00 0.00 N ATOM 805 CA TYR A 51 10.441 10.909 -6.176 1.00 0.00 C ATOM 806 C TYR A 51 11.333 10.838 -4.940 1.00 0.00 C ATOM 807 O TYR A 51 11.107 11.541 -3.954 1.00 0.00 O ATOM 808 CB TYR A 51 8.972 10.969 -5.755 1.00 0.00 C ATOM 809 CG TYR A 51 8.063 11.554 -6.812 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.909 12.929 -6.941 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.356 10.731 -7.681 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.079 13.467 -7.905 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.525 11.261 -8.649 1.00 0.00 C ATOM 814 CZ TYR A 51 6.389 12.630 -8.757 1.00 0.00 C ATOM 815 OH TYR A 51 5.561 13.161 -9.718 1.00 0.00 O ATOM 0 H TYR A 51 10.560 8.859 -6.596 1.00 0.00 H new ATOM 0 HA TYR A 51 10.690 11.814 -6.731 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.631 9.963 -5.511 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.887 11.564 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.447 13.588 -6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.458 9.659 -7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.971 14.538 -7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.985 10.607 -9.318 1.00 0.00 H new ATOM 0 HH TYR A 51 6.000 13.929 -10.139 1.00 0.00 H new