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 -81:sc= -0.483 USER MOD Set 1.2: A 11 TYR OH : rot 107:sc= 1.16 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= 0.221 K(o=0.22,f=-0.85) 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= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 21 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.533 K(o=-0.53,f=-4.3!) 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= -0.0399 X(o=-0.04,f=-0.48) 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= -0.517 X(o=-0.52,f=-0.33) USER MOD Single : A 46 GLN : amide:sc= -2.81 K(o=-2.8,f=-6.9!) USER MOD Single : A 51 TYR OH : rot 25:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.344 5.357 -6.543 1.00 0.00 N ATOM 63 CA LYS A 5 8.400 5.327 -7.999 1.00 0.00 C ATOM 64 C LYS A 5 7.019 5.066 -8.592 1.00 0.00 C ATOM 65 O LYS A 5 6.229 4.300 -8.040 1.00 0.00 O ATOM 66 CB LYS A 5 9.380 4.250 -8.471 1.00 0.00 C ATOM 67 CG LYS A 5 10.834 4.581 -8.180 1.00 0.00 C ATOM 68 CD LYS A 5 11.775 3.792 -9.075 1.00 0.00 C ATOM 69 CE LYS A 5 12.884 3.130 -8.271 1.00 0.00 C ATOM 70 NZ LYS A 5 13.819 2.366 -9.142 1.00 0.00 N ATOM 0 HA LYS A 5 8.746 6.301 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.128 3.305 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.257 4.104 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.001 5.648 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.056 4.363 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.212 3.031 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.212 4.456 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.439 3.891 -7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.446 2.459 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.560 1.930 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.295 1.623 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.256 3.010 -9.831 1.00 0.00 H new ATOM 84 N LYS A 6 6.733 5.708 -9.720 1.00 0.00 N ATOM 85 CA LYS A 6 5.448 5.544 -10.390 1.00 0.00 C ATOM 86 C LYS A 6 5.641 5.290 -11.881 1.00 0.00 C ATOM 87 O LYS A 6 6.522 5.875 -12.512 1.00 0.00 O ATOM 88 CB LYS A 6 4.579 6.786 -10.181 1.00 0.00 C ATOM 89 CG LYS A 6 3.746 6.739 -8.912 1.00 0.00 C ATOM 90 CD LYS A 6 4.253 7.727 -7.874 1.00 0.00 C ATOM 91 CE LYS A 6 3.216 7.979 -6.791 1.00 0.00 C ATOM 92 NZ LYS A 6 3.546 9.181 -5.976 1.00 0.00 N ATOM 0 H LYS A 6 7.374 6.347 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 6 4.946 4.680 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.220 7.667 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.915 6.903 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.706 6.962 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.769 5.731 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.167 7.344 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.509 8.668 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.236 8.109 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.150 7.106 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.815 9.319 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.470 9.047 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.584 10.018 -6.592 1.00 0.00 H new ATOM 106 N VAL A 7 4.810 4.417 -12.441 1.00 0.00 N ATOM 107 CA VAL A 7 4.887 4.088 -13.859 1.00 0.00 C ATOM 108 C VAL A 7 4.199 5.151 -14.708 1.00 0.00 C ATOM 109 O VAL A 7 3.113 5.623 -14.370 1.00 0.00 O ATOM 110 CB VAL A 7 4.247 2.718 -14.153 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.824 2.667 -13.619 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.275 2.427 -15.646 1.00 0.00 C ATOM 0 H VAL A 7 4.075 3.924 -11.934 1.00 0.00 H new ATOM 0 HA VAL A 7 5.945 4.049 -14.118 1.00 0.00 H new ATOM 0 HB VAL A 7 4.828 1.949 -13.644 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.389 1.692 -13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.834 2.828 -12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.228 3.445 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.819 1.455 -15.836 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.719 3.199 -16.178 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.307 2.418 -15.996 1.00 0.00 H new ATOM 122 N TYR A 8 4.837 5.523 -15.812 1.00 0.00 N ATOM 123 CA TYR A 8 4.288 6.532 -16.709 1.00 0.00 C ATOM 124 C TYR A 8 3.027 6.020 -17.399 1.00 0.00 C ATOM 125 O TYR A 8 2.942 4.849 -17.769 1.00 0.00 O ATOM 126 CB TYR A 8 5.328 6.935 -17.756 1.00 0.00 C ATOM 127 CG TYR A 8 5.291 8.403 -18.113 1.00 0.00 C ATOM 128 CD1 TYR A 8 4.204 8.948 -18.786 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.342 9.247 -17.776 1.00 0.00 C ATOM 130 CE1 TYR A 8 4.166 10.289 -19.115 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.312 10.590 -18.100 1.00 0.00 C ATOM 132 CZ TYR A 8 5.223 11.106 -18.770 1.00 0.00 C ATOM 133 OH TYR A 8 5.188 12.443 -19.094 1.00 0.00 O ATOM 0 H TYR A 8 5.735 5.141 -16.107 1.00 0.00 H new ATOM 0 HA TYR A 8 4.025 7.406 -16.113 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.322 6.685 -17.384 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.169 6.346 -18.659 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.374 8.312 -19.057 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.197 8.847 -17.252 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.314 10.696 -19.639 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.137 11.232 -17.830 1.00 0.00 H new ATOM 0 HH TYR A 8 5.447 12.559 -20.032 1.00 0.00 H new ATOM 143 N GLU A 9 2.051 6.906 -17.567 1.00 0.00 N ATOM 144 CA GLU A 9 0.794 6.543 -18.212 1.00 0.00 C ATOM 145 C GLU A 9 1.047 5.715 -19.468 1.00 0.00 C ATOM 146 O GLU A 9 0.506 4.621 -19.622 1.00 0.00 O ATOM 147 CB GLU A 9 -0.003 7.800 -18.569 1.00 0.00 C ATOM 148 CG GLU A 9 -0.194 8.751 -17.399 1.00 0.00 C ATOM 149 CD GLU A 9 -1.647 8.878 -16.982 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.206 7.887 -16.468 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.224 9.970 -17.170 1.00 0.00 O ATOM 0 H GLU A 9 2.106 7.879 -17.266 1.00 0.00 H new ATOM 0 HA GLU A 9 0.216 5.941 -17.511 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.507 8.327 -19.375 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.981 7.504 -18.950 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.394 8.401 -16.551 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.190 9.735 -17.669 1.00 0.00 H new ATOM 158 N ASN A 10 1.872 6.246 -20.364 1.00 0.00 N ATOM 159 CA ASN A 10 2.196 5.556 -21.608 1.00 0.00 C ATOM 160 C ASN A 10 3.172 6.376 -22.446 1.00 0.00 C ATOM 161 O ASN A 10 2.822 7.436 -22.966 1.00 0.00 O ATOM 162 CB ASN A 10 0.922 5.283 -22.411 1.00 0.00 C ATOM 163 CG ASN A 10 -0.155 6.319 -22.155 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.218 6.006 -21.619 1.00 0.00 O ATOM 165 ND2 ASN A 10 0.115 7.561 -22.540 1.00 0.00 N ATOM 0 H ASN A 10 2.328 7.151 -20.252 1.00 0.00 H new ATOM 0 HA ASN A 10 2.669 4.607 -21.356 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.162 5.267 -23.474 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.540 4.295 -22.156 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.572 8.301 -22.395 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.010 7.775 -22.981 1.00 0.00 H new ATOM 172 N TYR A 11 4.397 5.878 -22.573 1.00 0.00 N ATOM 173 CA TYR A 11 5.425 6.565 -23.346 1.00 0.00 C ATOM 174 C TYR A 11 6.109 5.607 -24.316 1.00 0.00 C ATOM 175 O TYR A 11 6.101 4.389 -24.135 1.00 0.00 O ATOM 176 CB TYR A 11 6.464 7.189 -22.412 1.00 0.00 C ATOM 177 CG TYR A 11 6.420 8.700 -22.381 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.232 9.375 -22.124 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.565 9.453 -22.609 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.187 10.756 -22.096 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.529 10.834 -22.581 1.00 0.00 C ATOM 182 CZ TYR A 11 6.338 11.480 -22.324 1.00 0.00 C ATOM 183 OH TYR A 11 6.298 12.856 -22.297 1.00 0.00 O ATOM 0 H TYR A 11 4.702 5.001 -22.151 1.00 0.00 H new ATOM 0 HA TYR A 11 4.943 7.355 -23.922 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.308 6.809 -21.403 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.459 6.869 -22.723 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.329 8.811 -21.943 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.499 8.950 -22.812 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.256 11.265 -21.897 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.429 11.404 -22.759 1.00 0.00 H new ATOM 0 HH TYR A 11 6.735 13.180 -21.482 1.00 0.00 H new ATOM 193 N PRO A 12 6.715 6.169 -25.372 1.00 0.00 N ATOM 194 CA PRO A 12 7.416 5.383 -26.393 1.00 0.00 C ATOM 195 C PRO A 12 8.702 4.760 -25.862 1.00 0.00 C ATOM 196 O PRO A 12 9.468 5.405 -25.146 1.00 0.00 O ATOM 197 CB PRO A 12 7.731 6.415 -27.479 1.00 0.00 C ATOM 198 CG PRO A 12 7.771 7.720 -26.763 1.00 0.00 C ATOM 199 CD PRO A 12 6.764 7.614 -25.651 1.00 0.00 C ATOM 0 HA PRO A 12 6.817 4.543 -26.744 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.683 6.201 -27.964 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.969 6.414 -28.258 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.768 7.918 -26.369 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.525 8.542 -27.435 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.073 8.182 -24.774 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.790 7.998 -25.953 1.00 0.00 H new ATOM 207 N VAL A 13 8.935 3.500 -26.218 1.00 0.00 N ATOM 208 CA VAL A 13 10.130 2.789 -25.779 1.00 0.00 C ATOM 209 C VAL A 13 11.386 3.388 -26.402 1.00 0.00 C ATOM 210 O VAL A 13 12.473 3.308 -25.831 1.00 0.00 O ATOM 211 CB VAL A 13 10.056 1.293 -26.136 1.00 0.00 C ATOM 212 CG1 VAL A 13 11.281 0.558 -25.614 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.779 0.677 -25.584 1.00 0.00 C ATOM 0 H VAL A 13 8.311 2.951 -26.809 1.00 0.00 H new ATOM 0 HA VAL A 13 10.180 2.894 -24.695 1.00 0.00 H new ATOM 0 HB VAL A 13 10.040 1.196 -27.222 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.211 -0.498 -25.876 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.179 0.984 -26.061 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.332 0.660 -24.530 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.743 -0.381 -25.845 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.763 0.783 -24.499 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.915 1.186 -26.011 1.00 0.00 H new ATOM 223 N SER A 14 11.228 3.988 -27.577 1.00 0.00 N ATOM 224 CA SER A 14 12.350 4.598 -28.281 1.00 0.00 C ATOM 225 C SER A 14 12.981 5.704 -27.441 1.00 0.00 C ATOM 226 O SER A 14 14.179 5.970 -27.543 1.00 0.00 O ATOM 227 CB SER A 14 11.889 5.164 -29.626 1.00 0.00 C ATOM 228 OG SER A 14 12.427 4.418 -30.704 1.00 0.00 O ATOM 0 H SER A 14 10.334 4.065 -28.062 1.00 0.00 H new ATOM 0 HA SER A 14 13.099 3.826 -28.457 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.800 5.149 -29.677 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.198 6.206 -29.711 1.00 0.00 H new ATOM 0 HG SER A 14 12.116 4.798 -31.552 1.00 0.00 H new ATOM 234 N LYS A 15 12.167 6.346 -26.610 1.00 0.00 N ATOM 235 CA LYS A 15 12.643 7.422 -25.750 1.00 0.00 C ATOM 236 C LYS A 15 13.392 6.864 -24.544 1.00 0.00 C ATOM 237 O LYS A 15 14.462 7.356 -24.183 1.00 0.00 O ATOM 238 CB LYS A 15 11.470 8.285 -25.280 1.00 0.00 C ATOM 239 CG LYS A 15 11.183 9.468 -26.189 1.00 0.00 C ATOM 240 CD LYS A 15 10.689 10.670 -25.400 1.00 0.00 C ATOM 241 CE LYS A 15 10.030 11.698 -26.306 1.00 0.00 C ATOM 242 NZ LYS A 15 10.060 13.062 -25.711 1.00 0.00 N ATOM 0 H LYS A 15 11.173 6.139 -26.514 1.00 0.00 H new ATOM 0 HA LYS A 15 13.330 8.038 -26.329 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.577 7.664 -25.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.679 8.652 -24.275 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.087 9.737 -26.735 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.435 9.186 -26.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.977 10.342 -24.642 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.525 11.130 -24.874 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.538 11.711 -27.270 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.997 11.407 -26.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.601 13.734 -26.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.553 13.056 -24.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.047 13.351 -25.555 1.00 0.00 H new ATOM 256 N CYS A 16 12.825 5.834 -23.925 1.00 0.00 N ATOM 257 CA CYS A 16 13.438 5.208 -22.761 1.00 0.00 C ATOM 258 C CYS A 16 14.870 4.776 -23.066 1.00 0.00 C ATOM 259 O CYS A 16 15.709 4.698 -22.170 1.00 0.00 O ATOM 260 CB CYS A 16 12.614 4.000 -22.311 1.00 0.00 C ATOM 261 SG CYS A 16 12.124 4.045 -20.557 1.00 0.00 S ATOM 0 H CYS A 16 11.940 5.415 -24.211 1.00 0.00 H new ATOM 0 HA CYS A 16 13.462 5.942 -21.956 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.716 3.937 -22.926 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.190 3.093 -22.493 1.00 0.00 H new ATOM 266 N GLN A 17 15.139 4.498 -24.338 1.00 0.00 N ATOM 267 CA GLN A 17 16.469 4.074 -24.761 1.00 0.00 C ATOM 268 C GLN A 17 17.532 5.058 -24.284 1.00 0.00 C ATOM 269 O GLN A 17 18.695 4.694 -24.106 1.00 0.00 O ATOM 270 CB GLN A 17 16.524 3.944 -26.284 1.00 0.00 C ATOM 271 CG GLN A 17 16.151 2.560 -26.790 1.00 0.00 C ATOM 272 CD GLN A 17 16.980 2.131 -27.985 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.181 1.887 -27.865 1.00 0.00 O ATOM 274 NE2 GLN A 17 16.342 2.038 -29.146 1.00 0.00 N ATOM 0 H GLN A 17 14.455 4.559 -25.092 1.00 0.00 H new ATOM 0 HA GLN A 17 16.673 3.102 -24.312 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.851 4.678 -26.728 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.530 4.188 -26.625 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.280 1.836 -25.985 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.096 2.549 -27.062 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.346 2.250 -29.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.848 1.755 -29.985 1.00 0.00 H new ATOM 283 N LEU A 18 17.126 6.306 -24.079 1.00 0.00 N ATOM 284 CA LEU A 18 18.044 7.344 -23.623 1.00 0.00 C ATOM 285 C LEU A 18 17.707 7.782 -22.201 1.00 0.00 C ATOM 286 O LEU A 18 16.681 8.418 -21.963 1.00 0.00 O ATOM 287 CB LEU A 18 17.993 8.548 -24.564 1.00 0.00 C ATOM 288 CG LEU A 18 18.126 8.240 -26.056 1.00 0.00 C ATOM 289 CD1 LEU A 18 17.851 9.485 -26.885 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.509 7.686 -26.364 1.00 0.00 C ATOM 0 H LEU A 18 16.167 6.624 -24.221 1.00 0.00 H new ATOM 0 HA LEU A 18 19.052 6.930 -23.628 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.049 9.069 -24.404 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.789 9.237 -24.283 1.00 0.00 H new ATOM 0 HG LEU A 18 17.387 7.484 -26.319 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.950 9.246 -27.944 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.839 9.838 -26.686 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.566 10.264 -26.620 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.586 7.472 -27.430 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.265 8.420 -26.085 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.668 6.768 -25.798 1.00 0.00 H new ATOM 302 N ALA A 19 18.579 7.438 -21.259 1.00 0.00 N ATOM 303 CA ALA A 19 18.377 7.799 -19.861 1.00 0.00 C ATOM 304 C ALA A 19 18.177 9.303 -19.706 1.00 0.00 C ATOM 305 O ALA A 19 17.380 9.751 -18.883 1.00 0.00 O ATOM 306 CB ALA A 19 19.555 7.331 -19.019 1.00 0.00 C ATOM 0 H ALA A 19 19.433 6.909 -21.439 1.00 0.00 H new ATOM 0 HA ALA A 19 17.473 7.301 -19.510 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.390 7.607 -17.978 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.650 6.248 -19.096 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.470 7.802 -19.379 1.00 0.00 H new ATOM 312 N ASN A 20 18.907 10.077 -20.502 1.00 0.00 N ATOM 313 CA ASN A 20 18.811 11.532 -20.452 1.00 0.00 C ATOM 314 C ASN A 20 17.414 11.998 -20.849 1.00 0.00 C ATOM 315 O ASN A 20 17.006 13.113 -20.524 1.00 0.00 O ATOM 316 CB ASN A 20 19.855 12.165 -21.374 1.00 0.00 C ATOM 317 CG ASN A 20 21.170 11.410 -21.363 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.543 10.777 -22.351 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.879 11.474 -20.242 1.00 0.00 N ATOM 0 H ASN A 20 19.572 9.722 -21.189 1.00 0.00 H new ATOM 0 HA ASN A 20 19.003 11.850 -19.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.466 12.196 -22.392 1.00 0.00 H new ATOM 0 HB3 ASN A 20 20.029 13.196 -21.067 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.772 10.986 -20.175 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.530 12.011 -19.448 1.00 0.00 H new ATOM 326 N GLN A 21 16.687 11.137 -21.554 1.00 0.00 N ATOM 327 CA GLN A 21 15.336 11.462 -21.996 1.00 0.00 C ATOM 328 C GLN A 21 14.308 11.068 -20.940 1.00 0.00 C ATOM 329 O GLN A 21 13.474 11.879 -20.537 1.00 0.00 O ATOM 330 CB GLN A 21 15.025 10.755 -23.316 1.00 0.00 C ATOM 331 CG GLN A 21 15.419 11.559 -24.545 1.00 0.00 C ATOM 332 CD GLN A 21 14.261 12.348 -25.122 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.868 12.145 -26.272 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.707 13.255 -24.326 1.00 0.00 N ATOM 0 H GLN A 21 17.010 10.210 -21.831 1.00 0.00 H new ATOM 0 HA GLN A 21 15.280 12.540 -22.147 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.545 9.797 -23.337 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.957 10.539 -23.360 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.226 12.244 -24.283 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.809 10.884 -25.307 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.065 13.390 -23.380 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.924 13.817 -24.660 1.00 0.00 H new ATOM 343 N CYS A 22 14.373 9.817 -20.496 1.00 0.00 N ATOM 344 CA CYS A 22 13.448 9.314 -19.488 1.00 0.00 C ATOM 345 C CYS A 22 13.415 10.236 -18.272 1.00 0.00 C ATOM 346 O CYS A 22 12.354 10.708 -17.867 1.00 0.00 O ATOM 347 CB CYS A 22 13.848 7.901 -19.059 1.00 0.00 C ATOM 348 SG CYS A 22 12.477 6.916 -18.374 1.00 0.00 S ATOM 0 H CYS A 22 15.057 9.133 -20.819 1.00 0.00 H new ATOM 0 HA CYS A 22 12.451 9.285 -19.928 1.00 0.00 H new ATOM 0 HB2 CYS A 22 14.264 7.376 -19.919 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.640 7.970 -18.313 1.00 0.00 H new ATOM 353 N ASN A 23 14.586 10.487 -17.695 1.00 0.00 N ATOM 354 CA ASN A 23 14.691 11.353 -16.525 1.00 0.00 C ATOM 355 C ASN A 23 14.203 12.762 -16.846 1.00 0.00 C ATOM 356 O ASN A 23 13.284 13.273 -16.206 1.00 0.00 O ATOM 357 CB ASN A 23 16.138 11.402 -16.030 1.00 0.00 C ATOM 358 CG ASN A 23 16.262 12.068 -14.673 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.099 11.424 -13.637 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.552 13.364 -14.675 1.00 0.00 N ATOM 0 H ASN A 23 15.474 10.104 -18.018 1.00 0.00 H new ATOM 0 HA ASN A 23 14.059 10.939 -15.739 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.534 10.388 -15.972 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.749 11.942 -16.754 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.648 13.866 -13.793 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.678 13.857 -15.559 1.00 0.00 H new ATOM 367 N TYR A 24 14.824 13.385 -17.841 1.00 0.00 N ATOM 368 CA TYR A 24 14.455 14.736 -18.246 1.00 0.00 C ATOM 369 C TYR A 24 12.946 14.855 -18.435 1.00 0.00 C ATOM 370 O TYR A 24 12.329 15.826 -17.996 1.00 0.00 O ATOM 371 CB TYR A 24 15.174 15.117 -19.542 1.00 0.00 C ATOM 372 CG TYR A 24 14.956 16.556 -19.954 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.550 17.598 -19.254 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.156 16.872 -21.046 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.353 18.913 -19.628 1.00 0.00 C ATOM 376 CE2 TYR A 24 13.954 18.184 -21.427 1.00 0.00 C ATOM 377 CZ TYR A 24 14.555 19.201 -20.715 1.00 0.00 C ATOM 378 OH TYR A 24 14.357 20.510 -21.091 1.00 0.00 O ATOM 0 H TYR A 24 15.586 12.976 -18.382 1.00 0.00 H new ATOM 0 HA TYR A 24 14.759 15.421 -17.455 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.243 14.940 -19.420 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.832 14.462 -20.344 1.00 0.00 H new ATOM 0 HD1 TYR A 24 16.177 17.376 -18.403 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.684 16.078 -21.606 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.822 19.711 -19.072 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.329 18.412 -22.278 1.00 0.00 H new ATOM 0 HH TYR A 24 13.771 20.540 -21.876 1.00 0.00 H new ATOM 388 N ASP A 25 12.358 13.860 -19.090 1.00 0.00 N ATOM 389 CA ASP A 25 10.921 13.851 -19.337 1.00 0.00 C ATOM 390 C ASP A 25 10.147 13.682 -18.033 1.00 0.00 C ATOM 391 O ASP A 25 9.246 14.464 -17.727 1.00 0.00 O ATOM 392 CB ASP A 25 10.556 12.728 -20.310 1.00 0.00 C ATOM 393 CG ASP A 25 9.294 13.029 -21.094 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.192 12.873 -20.528 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.409 13.422 -22.274 1.00 0.00 O ATOM 0 H ASP A 25 12.854 13.049 -19.459 1.00 0.00 H new ATOM 0 HA ASP A 25 10.647 14.808 -19.780 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.382 12.569 -21.003 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.423 11.799 -19.755 1.00 0.00 H new ATOM 400 N CYS A 26 10.504 12.655 -17.268 1.00 0.00 N ATOM 401 CA CYS A 26 9.843 12.382 -15.998 1.00 0.00 C ATOM 402 C CYS A 26 9.884 13.607 -15.088 1.00 0.00 C ATOM 403 O CYS A 26 8.892 13.950 -14.445 1.00 0.00 O ATOM 404 CB CYS A 26 10.506 11.193 -15.300 1.00 0.00 C ATOM 405 SG CYS A 26 9.927 10.914 -13.595 1.00 0.00 S ATOM 0 H CYS A 26 11.247 11.999 -17.506 1.00 0.00 H new ATOM 0 HA CYS A 26 8.801 12.139 -16.205 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.323 10.293 -15.886 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.585 11.349 -15.285 1.00 0.00 H new ATOM 410 N LYS A 27 11.039 14.262 -15.040 1.00 0.00 N ATOM 411 CA LYS A 27 11.211 15.450 -14.212 1.00 0.00 C ATOM 412 C LYS A 27 10.620 16.680 -14.894 1.00 0.00 C ATOM 413 O LYS A 27 10.643 17.780 -14.341 1.00 0.00 O ATOM 414 CB LYS A 27 12.694 15.681 -13.917 1.00 0.00 C ATOM 415 CG LYS A 27 12.944 16.598 -12.732 1.00 0.00 C ATOM 416 CD LYS A 27 14.015 17.630 -13.042 1.00 0.00 C ATOM 417 CE LYS A 27 13.473 18.751 -13.916 1.00 0.00 C ATOM 418 NZ LYS A 27 14.563 19.614 -14.450 1.00 0.00 N ATOM 0 H LYS A 27 11.870 13.990 -15.565 1.00 0.00 H new ATOM 0 HA LYS A 27 10.681 15.287 -13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.172 14.720 -13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.170 16.106 -14.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.018 17.104 -12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.248 16.005 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.400 18.047 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.852 17.147 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.908 18.325 -14.745 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.779 19.360 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.153 20.366 -15.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.086 20.041 -13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.212 19.038 -15.024 1.00 0.00 H new ATOM 432 N LEU A 28 10.090 16.486 -16.097 1.00 0.00 N ATOM 433 CA LEU A 28 9.491 17.579 -16.854 1.00 0.00 C ATOM 434 C LEU A 28 7.969 17.531 -16.770 1.00 0.00 C ATOM 435 O LEU A 28 7.325 18.519 -16.418 1.00 0.00 O ATOM 436 CB LEU A 28 9.935 17.515 -18.317 1.00 0.00 C ATOM 437 CG LEU A 28 9.295 18.537 -19.258 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.912 19.911 -19.053 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.442 18.093 -20.706 1.00 0.00 C ATOM 0 H LEU A 28 10.063 15.582 -16.569 1.00 0.00 H new ATOM 0 HA LEU A 28 9.830 18.519 -16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.017 17.645 -18.354 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.721 16.516 -18.698 1.00 0.00 H new ATOM 0 HG LEU A 28 8.232 18.602 -19.025 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.444 20.625 -19.731 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.753 20.231 -18.023 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.982 19.864 -19.258 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.981 18.832 -21.362 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.500 17.999 -20.952 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.951 17.130 -20.843 1.00 0.00 H new ATOM 451 N ASP A 29 7.401 16.374 -17.094 1.00 0.00 N ATOM 452 CA ASP A 29 5.954 16.195 -17.052 1.00 0.00 C ATOM 453 C ASP A 29 5.494 15.814 -15.648 1.00 0.00 C ATOM 454 O ASP A 29 4.552 16.398 -15.112 1.00 0.00 O ATOM 455 CB ASP A 29 5.522 15.122 -18.053 1.00 0.00 C ATOM 456 CG ASP A 29 4.964 15.714 -19.332 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.754 16.277 -20.119 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.738 15.614 -19.546 1.00 0.00 O ATOM 0 H ASP A 29 7.920 15.547 -17.388 1.00 0.00 H new ATOM 0 HA ASP A 29 5.487 17.142 -17.323 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.376 14.488 -18.292 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.768 14.483 -17.593 1.00 0.00 H new ATOM 463 N LYS A 30 6.165 14.831 -15.058 1.00 0.00 N ATOM 464 CA LYS A 30 5.826 14.370 -13.717 1.00 0.00 C ATOM 465 C LYS A 30 6.546 15.201 -12.659 1.00 0.00 C ATOM 466 O LYS A 30 6.184 15.175 -11.483 1.00 0.00 O ATOM 467 CB LYS A 30 6.191 12.893 -13.555 1.00 0.00 C ATOM 468 CG LYS A 30 5.758 12.028 -14.727 1.00 0.00 C ATOM 469 CD LYS A 30 4.857 10.890 -14.278 1.00 0.00 C ATOM 470 CE LYS A 30 4.152 10.238 -15.457 1.00 0.00 C ATOM 471 NZ LYS A 30 2.760 9.834 -15.117 1.00 0.00 N ATOM 0 H LYS A 30 6.948 14.338 -15.488 1.00 0.00 H new ATOM 0 HA LYS A 30 4.751 14.489 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.270 12.806 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.731 12.512 -12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.233 12.642 -15.459 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.638 11.621 -15.225 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.449 10.143 -13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.116 11.268 -13.573 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.134 10.931 -16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.716 9.362 -15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.314 9.394 -15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.778 9.153 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.214 10.673 -14.835 1.00 0.00 H new ATOM 485 N HIS A 31 7.567 15.938 -13.085 1.00 0.00 N ATOM 486 CA HIS A 31 8.336 16.778 -12.174 1.00 0.00 C ATOM 487 C HIS A 31 8.907 15.953 -11.026 1.00 0.00 C ATOM 488 O HIS A 31 9.133 16.468 -9.931 1.00 0.00 O ATOM 489 CB HIS A 31 7.460 17.904 -11.623 1.00 0.00 C ATOM 490 CG HIS A 31 6.900 18.801 -12.683 1.00 0.00 C ATOM 491 ND1 HIS A 31 5.572 18.792 -13.052 1.00 0.00 N ATOM 492 CD2 HIS A 31 7.497 19.740 -13.454 1.00 0.00 C ATOM 493 CE1 HIS A 31 5.376 19.686 -14.005 1.00 0.00 C ATOM 494 NE2 HIS A 31 6.528 20.275 -14.267 1.00 0.00 N ATOM 0 H HIS A 31 7.881 15.970 -14.055 1.00 0.00 H new ATOM 0 HA HIS A 31 9.165 17.213 -12.732 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.638 17.469 -11.055 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.047 18.502 -10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.541 20.017 -13.434 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.434 19.899 -14.488 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.675 21.008 -14.961 1.00 0.00 H new ATOM 502 N ALA A 32 9.137 14.669 -11.283 1.00 0.00 N ATOM 503 CA ALA A 32 9.683 13.773 -10.270 1.00 0.00 C ATOM 504 C ALA A 32 11.184 13.983 -10.104 1.00 0.00 C ATOM 505 O ALA A 32 11.865 14.426 -11.029 1.00 0.00 O ATOM 506 CB ALA A 32 9.387 12.326 -10.632 1.00 0.00 C ATOM 0 H ALA A 32 8.954 14.226 -12.183 1.00 0.00 H new ATOM 0 HA ALA A 32 9.203 14.003 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.800 11.668 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.309 12.179 -10.693 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.840 12.092 -11.595 1.00 0.00 H new ATOM 512 N ARG A 33 11.694 13.662 -8.919 1.00 0.00 N ATOM 513 CA ARG A 33 13.115 13.817 -8.631 1.00 0.00 C ATOM 514 C ARG A 33 13.964 13.166 -9.718 1.00 0.00 C ATOM 515 O ARG A 33 14.938 13.750 -10.193 1.00 0.00 O ATOM 516 CB ARG A 33 13.451 13.205 -7.270 1.00 0.00 C ATOM 517 CG ARG A 33 13.164 14.129 -6.099 1.00 0.00 C ATOM 518 CD ARG A 33 11.921 13.695 -5.338 1.00 0.00 C ATOM 519 NE ARG A 33 11.875 14.265 -3.994 1.00 0.00 N ATOM 520 CZ ARG A 33 10.770 14.324 -3.258 1.00 0.00 C ATOM 521 NH1 ARG A 33 9.627 13.849 -3.734 1.00 0.00 N ATOM 522 NH2 ARG A 33 10.808 14.858 -2.044 1.00 0.00 N ATOM 0 H ARG A 33 11.144 13.293 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 33 13.341 14.883 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.880 12.285 -7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.506 12.930 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.020 14.139 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.032 15.148 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.033 13.999 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.898 12.607 -5.271 1.00 0.00 H new ATOM 0 HE ARG A 33 12.738 14.638 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.595 13.437 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.780 13.895 -3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.686 15.224 -1.675 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.959 14.903 -1.480 1.00 0.00 H new ATOM 536 N SER A 34 13.588 11.952 -10.108 1.00 0.00 N ATOM 537 CA SER A 34 14.317 11.219 -11.136 1.00 0.00 C ATOM 538 C SER A 34 13.383 10.292 -11.908 1.00 0.00 C ATOM 539 O SER A 34 12.175 10.276 -11.677 1.00 0.00 O ATOM 540 CB SER A 34 15.452 10.408 -10.506 1.00 0.00 C ATOM 541 OG SER A 34 15.387 10.454 -9.091 1.00 0.00 O ATOM 0 H SER A 34 12.782 11.455 -9.727 1.00 0.00 H new ATOM 0 HA SER A 34 14.740 11.943 -11.833 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.394 9.373 -10.842 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.412 10.799 -10.842 1.00 0.00 H new ATOM 0 HG SER A 34 16.121 9.927 -8.712 1.00 0.00 H new ATOM 547 N GLY A 35 13.953 9.520 -12.829 1.00 0.00 N ATOM 548 CA GLY A 35 13.159 8.601 -13.622 1.00 0.00 C ATOM 549 C GLY A 35 14.006 7.557 -14.321 1.00 0.00 C ATOM 550 O GLY A 35 14.882 7.891 -15.118 1.00 0.00 O ATOM 0 H GLY A 35 14.951 9.515 -13.040 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.433 8.104 -12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.593 9.163 -14.365 1.00 0.00 H new ATOM 554 N GLU A 36 13.745 6.288 -14.022 1.00 0.00 N ATOM 555 CA GLU A 36 14.493 5.192 -14.626 1.00 0.00 C ATOM 556 C GLU A 36 13.627 4.427 -15.623 1.00 0.00 C ATOM 557 O GLU A 36 12.431 4.689 -15.753 1.00 0.00 O ATOM 558 CB GLU A 36 15.008 4.239 -13.545 1.00 0.00 C ATOM 559 CG GLU A 36 16.521 4.101 -13.527 1.00 0.00 C ATOM 560 CD GLU A 36 17.033 3.149 -14.590 1.00 0.00 C ATOM 561 OE1 GLU A 36 16.809 1.928 -14.452 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.658 3.625 -15.561 1.00 0.00 O ATOM 0 H GLU A 36 13.022 5.994 -13.366 1.00 0.00 H new ATOM 0 HA GLU A 36 15.343 5.617 -15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.672 4.593 -12.570 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.564 3.256 -13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.973 5.082 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.838 3.748 -12.546 1.00 0.00 H new ATOM 569 N CYS A 37 14.240 3.479 -16.325 1.00 0.00 N ATOM 570 CA CYS A 37 13.527 2.676 -17.311 1.00 0.00 C ATOM 571 C CYS A 37 13.367 1.238 -16.827 1.00 0.00 C ATOM 572 O CYS A 37 14.325 0.614 -16.372 1.00 0.00 O ATOM 573 CB CYS A 37 14.270 2.695 -18.649 1.00 0.00 C ATOM 574 SG CYS A 37 14.047 4.232 -19.601 1.00 0.00 S ATOM 0 H CYS A 37 15.229 3.248 -16.229 1.00 0.00 H new ATOM 0 HA CYS A 37 12.536 3.108 -17.447 1.00 0.00 H new ATOM 0 HB2 CYS A 37 15.334 2.546 -18.464 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.931 1.854 -19.253 1.00 0.00 H new ATOM 579 N PHE A 38 12.148 0.718 -16.929 1.00 0.00 N ATOM 580 CA PHE A 38 11.860 -0.646 -16.501 1.00 0.00 C ATOM 581 C PHE A 38 11.605 -1.551 -17.704 1.00 0.00 C ATOM 582 O PHE A 38 11.256 -1.079 -18.786 1.00 0.00 O ATOM 583 CB PHE A 38 10.649 -0.666 -15.567 1.00 0.00 C ATOM 584 CG PHE A 38 11.015 -0.713 -14.111 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.042 0.074 -13.616 1.00 0.00 C ATOM 586 CD2 PHE A 38 10.333 -1.545 -13.238 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.381 0.033 -12.277 1.00 0.00 C ATOM 588 CE2 PHE A 38 10.667 -1.590 -11.898 1.00 0.00 C ATOM 589 CZ PHE A 38 11.694 -0.801 -11.417 1.00 0.00 C ATOM 0 H PHE A 38 11.344 1.221 -17.304 1.00 0.00 H new ATOM 0 HA PHE A 38 12.730 -1.023 -15.963 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.043 0.221 -15.752 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.030 -1.531 -15.806 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.584 0.727 -14.284 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.531 -2.166 -13.609 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.183 0.653 -11.903 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.126 -2.241 -11.227 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.959 -0.836 -10.371 1.00 0.00 H new ATOM 599 N TYR A 39 11.781 -2.852 -17.505 1.00 0.00 N ATOM 600 CA TYR A 39 11.573 -3.823 -18.573 1.00 0.00 C ATOM 601 C TYR A 39 10.242 -4.549 -18.397 1.00 0.00 C ATOM 602 O TYR A 39 10.163 -5.568 -17.711 1.00 0.00 O ATOM 603 CB TYR A 39 12.719 -4.836 -18.600 1.00 0.00 C ATOM 604 CG TYR A 39 13.591 -4.730 -19.831 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.030 -4.649 -21.099 1.00 0.00 C ATOM 606 CD2 TYR A 39 14.976 -4.709 -19.724 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.824 -4.552 -22.226 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.778 -4.611 -20.846 1.00 0.00 C ATOM 609 CZ TYR A 39 15.197 -4.534 -22.094 1.00 0.00 C ATOM 610 OH TYR A 39 15.990 -4.436 -23.214 1.00 0.00 O ATOM 0 H TYR A 39 12.067 -3.259 -16.615 1.00 0.00 H new ATOM 0 HA TYR A 39 11.550 -3.284 -19.520 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.338 -4.696 -17.714 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.305 -5.843 -18.544 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.955 -4.662 -21.206 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.434 -4.770 -18.748 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.372 -4.491 -23.205 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.853 -4.595 -20.745 1.00 0.00 H new ATOM 0 HH TYR A 39 16.933 -4.435 -22.948 1.00 0.00 H new ATOM 620 N LYS A 40 9.198 -4.016 -19.023 1.00 0.00 N ATOM 621 CA LYS A 40 7.870 -4.612 -18.940 1.00 0.00 C ATOM 622 C LYS A 40 7.601 -5.512 -20.142 1.00 0.00 C ATOM 623 O LYS A 40 8.411 -5.587 -21.065 1.00 0.00 O ATOM 624 CB LYS A 40 6.803 -3.519 -18.860 1.00 0.00 C ATOM 625 CG LYS A 40 5.841 -3.692 -17.697 1.00 0.00 C ATOM 626 CD LYS A 40 4.474 -4.160 -18.168 1.00 0.00 C ATOM 627 CE LYS A 40 4.000 -5.373 -17.383 1.00 0.00 C ATOM 628 NZ LYS A 40 2.515 -5.483 -17.376 1.00 0.00 N ATOM 0 H LYS A 40 9.246 -3.172 -19.594 1.00 0.00 H new ATOM 0 HA LYS A 40 7.828 -5.220 -18.036 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.294 -2.550 -18.774 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.236 -3.507 -19.791 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.250 -4.414 -16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.739 -2.747 -17.164 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.753 -3.350 -18.058 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.518 -4.406 -19.229 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.429 -6.276 -17.816 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.364 -5.307 -16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.232 -6.322 -16.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.106 -4.632 -16.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.169 -5.572 -18.353 1.00 0.00 H new ATOM 642 N GLU A 41 6.459 -6.192 -20.123 1.00 0.00 N ATOM 643 CA GLU A 41 6.084 -7.086 -21.212 1.00 0.00 C ATOM 644 C GLU A 41 7.222 -8.048 -21.542 1.00 0.00 C ATOM 645 O GLU A 41 8.148 -8.227 -20.751 1.00 0.00 O ATOM 646 CB GLU A 41 5.707 -6.279 -22.456 1.00 0.00 C ATOM 647 CG GLU A 41 4.751 -5.133 -22.172 1.00 0.00 C ATOM 648 CD GLU A 41 3.854 -4.814 -23.353 1.00 0.00 C ATOM 649 OE1 GLU A 41 4.275 -5.063 -24.502 1.00 0.00 O ATOM 650 OE2 GLU A 41 2.732 -4.316 -23.127 1.00 0.00 O ATOM 0 H GLU A 41 5.778 -6.141 -19.366 1.00 0.00 H new ATOM 0 HA GLU A 41 5.221 -7.668 -20.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.615 -5.880 -22.909 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.253 -6.947 -23.188 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.134 -5.385 -21.310 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.324 -4.245 -21.905 1.00 0.00 H new ATOM 657 N LYS A 42 7.145 -8.666 -22.716 1.00 0.00 N ATOM 658 CA LYS A 42 8.167 -9.609 -23.153 1.00 0.00 C ATOM 659 C LYS A 42 9.394 -8.875 -23.684 1.00 0.00 C ATOM 660 O LYS A 42 10.526 -9.201 -23.327 1.00 0.00 O ATOM 661 CB LYS A 42 7.606 -10.536 -24.234 1.00 0.00 C ATOM 662 CG LYS A 42 7.649 -12.007 -23.857 1.00 0.00 C ATOM 663 CD LYS A 42 8.710 -12.754 -24.648 1.00 0.00 C ATOM 664 CE LYS A 42 9.281 -13.918 -23.853 1.00 0.00 C ATOM 665 NZ LYS A 42 10.433 -13.500 -23.007 1.00 0.00 N ATOM 0 H LYS A 42 6.385 -8.530 -23.382 1.00 0.00 H new ATOM 0 HA LYS A 42 8.467 -10.205 -22.292 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.574 -10.253 -24.443 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.170 -10.389 -25.155 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.853 -12.105 -22.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.674 -12.459 -24.038 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.279 -13.124 -25.578 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.513 -12.069 -24.919 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.501 -14.343 -23.221 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.600 -14.704 -24.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.794 -14.322 -22.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.188 -13.118 -23.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.123 -12.768 -22.336 1.00 0.00 H new ATOM 679 N ARG A 43 9.161 -7.883 -24.537 1.00 0.00 N ATOM 680 CA ARG A 43 10.247 -7.103 -25.117 1.00 0.00 C ATOM 681 C ARG A 43 10.034 -5.612 -24.877 1.00 0.00 C ATOM 682 O ARG A 43 10.990 -4.860 -24.690 1.00 0.00 O ATOM 683 CB ARG A 43 10.356 -7.378 -26.618 1.00 0.00 C ATOM 684 CG ARG A 43 10.643 -8.833 -26.951 1.00 0.00 C ATOM 685 CD ARG A 43 12.137 -9.120 -26.955 1.00 0.00 C ATOM 686 NE ARG A 43 12.506 -10.088 -27.984 1.00 0.00 N ATOM 687 CZ ARG A 43 13.661 -10.743 -27.996 1.00 0.00 C ATOM 688 NH1 ARG A 43 14.555 -10.536 -27.039 1.00 0.00 N ATOM 689 NH2 ARG A 43 13.925 -11.608 -28.967 1.00 0.00 N ATOM 0 H ARG A 43 8.229 -7.601 -24.842 1.00 0.00 H new ATOM 0 HA ARG A 43 11.175 -7.403 -24.631 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.426 -7.080 -27.102 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.147 -6.755 -27.036 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.150 -9.478 -26.224 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.223 -9.074 -27.927 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.684 -8.191 -27.118 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.436 -9.498 -25.978 1.00 0.00 H new ATOM 0 HE ARG A 43 11.840 -10.271 -28.735 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.356 -9.872 -26.291 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.441 -11.041 -27.051 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.240 -11.770 -29.705 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.813 -12.110 -28.975 1.00 0.00 H new ATOM 703 N ASN A 44 8.773 -5.190 -24.884 1.00 0.00 N ATOM 704 CA ASN A 44 8.434 -3.788 -24.668 1.00 0.00 C ATOM 705 C ASN A 44 9.157 -3.237 -23.443 1.00 0.00 C ATOM 706 O ASN A 44 9.643 -3.994 -22.602 1.00 0.00 O ATOM 707 CB ASN A 44 6.922 -3.628 -24.498 1.00 0.00 C ATOM 708 CG ASN A 44 6.474 -2.187 -24.643 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.306 -1.686 -25.755 1.00 0.00 O ATOM 710 ND2 ASN A 44 6.279 -1.512 -23.516 1.00 0.00 N ATOM 0 H ASN A 44 7.969 -5.799 -25.037 1.00 0.00 H new ATOM 0 HA ASN A 44 8.756 -3.222 -25.542 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.409 -4.242 -25.238 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.628 -4.000 -23.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.978 -0.538 -23.550 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.430 -1.968 -22.616 1.00 0.00 H new ATOM 717 N LEU A 45 9.224 -1.913 -23.349 1.00 0.00 N ATOM 718 CA LEU A 45 9.886 -1.259 -22.226 1.00 0.00 C ATOM 719 C LEU A 45 9.009 -0.155 -21.644 1.00 0.00 C ATOM 720 O LEU A 45 8.139 0.383 -22.328 1.00 0.00 O ATOM 721 CB LEU A 45 11.230 -0.678 -22.669 1.00 0.00 C ATOM 722 CG LEU A 45 12.315 -0.601 -21.595 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.689 -0.828 -22.207 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.263 0.740 -20.879 1.00 0.00 C ATOM 0 H LEU A 45 8.828 -1.272 -24.037 1.00 0.00 H new ATOM 0 HA LEU A 45 10.058 -2.007 -21.452 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.608 -1.279 -23.496 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.059 0.326 -23.057 1.00 0.00 H new ATOM 0 HG LEU A 45 12.131 -1.388 -20.863 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.449 -0.770 -21.428 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.722 -1.813 -22.672 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.883 -0.064 -22.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.043 0.777 -20.118 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.421 1.543 -21.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.289 0.863 -20.406 1.00 0.00 H new ATOM 736 N GLN A 46 9.246 0.178 -20.380 1.00 0.00 N ATOM 737 CA GLN A 46 8.478 1.219 -19.707 1.00 0.00 C ATOM 738 C GLN A 46 9.403 2.238 -19.048 1.00 0.00 C ATOM 739 O GLN A 46 10.571 1.952 -18.784 1.00 0.00 O ATOM 740 CB GLN A 46 7.550 0.602 -18.660 1.00 0.00 C ATOM 741 CG GLN A 46 6.111 0.462 -19.129 1.00 0.00 C ATOM 742 CD GLN A 46 5.301 -0.474 -18.254 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.559 -1.321 -18.752 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.438 -0.326 -16.942 1.00 0.00 N ATOM 0 H GLN A 46 9.964 -0.258 -19.801 1.00 0.00 H new ATOM 0 HA GLN A 46 7.876 1.733 -20.456 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.931 -0.381 -18.384 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.572 1.217 -17.760 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.639 1.444 -19.138 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.101 0.094 -20.155 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.064 0.389 -16.572 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.917 -0.927 -16.304 1.00 0.00 H new ATOM 753 N CYS A 47 8.872 3.427 -18.785 1.00 0.00 N ATOM 754 CA CYS A 47 9.649 4.489 -18.157 1.00 0.00 C ATOM 755 C CYS A 47 9.089 4.832 -16.780 1.00 0.00 C ATOM 756 O CYS A 47 8.145 5.613 -16.659 1.00 0.00 O ATOM 757 CB CYS A 47 9.654 5.737 -19.042 1.00 0.00 C ATOM 758 SG CYS A 47 11.289 6.155 -19.729 1.00 0.00 S ATOM 0 H CYS A 47 7.907 3.679 -18.997 1.00 0.00 H new ATOM 0 HA CYS A 47 10.672 4.133 -18.035 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.953 5.589 -19.864 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.289 6.583 -18.460 1.00 0.00 H new ATOM 763 N ILE A 48 9.677 4.242 -15.744 1.00 0.00 N ATOM 764 CA ILE A 48 9.238 4.486 -14.376 1.00 0.00 C ATOM 765 C ILE A 48 9.877 5.750 -13.810 1.00 0.00 C ATOM 766 O ILE A 48 11.051 6.029 -14.057 1.00 0.00 O ATOM 767 CB ILE A 48 9.575 3.298 -13.456 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.871 2.030 -13.945 1.00 0.00 C ATOM 769 CG2 ILE A 48 9.180 3.610 -12.021 1.00 0.00 C ATOM 770 CD1 ILE A 48 7.402 1.979 -13.586 1.00 0.00 C ATOM 0 H ILE A 48 10.459 3.592 -15.827 1.00 0.00 H new ATOM 0 HA ILE A 48 8.156 4.613 -14.410 1.00 0.00 H new ATOM 0 HB ILE A 48 10.651 3.128 -13.487 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.975 1.961 -15.028 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.371 1.160 -13.521 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.425 2.760 -11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.723 4.490 -11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.108 3.803 -11.972 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.967 1.054 -13.964 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.291 2.016 -12.502 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.888 2.830 -14.033 1.00 0.00 H new ATOM 782 N CYS A 49 9.097 6.510 -13.049 1.00 0.00 N ATOM 783 CA CYS A 49 9.586 7.744 -12.446 1.00 0.00 C ATOM 784 C CYS A 49 10.106 7.491 -11.034 1.00 0.00 C ATOM 785 O CYS A 49 10.046 6.369 -10.531 1.00 0.00 O ATOM 786 CB CYS A 49 8.474 8.795 -12.411 1.00 0.00 C ATOM 787 SG CYS A 49 8.329 9.776 -13.939 1.00 0.00 S ATOM 0 H CYS A 49 8.124 6.293 -12.835 1.00 0.00 H new ATOM 0 HA CYS A 49 10.409 8.116 -13.056 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.524 8.296 -12.221 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.653 9.470 -11.574 1.00 0.00 H new ATOM 792 N ASP A 50 10.617 8.541 -10.401 1.00 0.00 N ATOM 793 CA ASP A 50 11.147 8.434 -9.046 1.00 0.00 C ATOM 794 C ASP A 50 10.836 9.691 -8.240 1.00 0.00 C ATOM 795 O ASP A 50 10.957 10.809 -8.742 1.00 0.00 O ATOM 796 CB ASP A 50 12.657 8.198 -9.084 1.00 0.00 C ATOM 797 CG ASP A 50 13.016 6.822 -9.611 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.715 6.541 -10.790 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.597 6.026 -8.844 1.00 0.00 O ATOM 0 H ASP A 50 10.676 9.476 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 50 10.666 7.585 -8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.125 8.957 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.066 8.317 -8.081 1.00 0.00 H new ATOM 804 N TYR A 51 10.433 9.500 -6.988 1.00 0.00 N ATOM 805 CA TYR A 51 10.101 10.618 -6.114 1.00 0.00 C ATOM 806 C TYR A 51 10.820 10.494 -4.774 1.00 0.00 C ATOM 807 O TYR A 51 10.367 11.026 -3.760 1.00 0.00 O ATOM 808 CB TYR A 51 8.589 10.686 -5.889 1.00 0.00 C ATOM 809 CG TYR A 51 7.822 11.205 -7.084 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.684 12.570 -7.305 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.236 10.332 -7.991 1.00 0.00 C ATOM 812 CE1 TYR A 51 6.983 13.049 -8.395 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.535 10.802 -9.085 1.00 0.00 C ATOM 814 CZ TYR A 51 6.411 12.162 -9.282 1.00 0.00 C ATOM 815 OH TYR A 51 5.712 12.634 -10.370 1.00 0.00 O ATOM 0 H TYR A 51 10.329 8.582 -6.557 1.00 0.00 H new ATOM 0 HA TYR A 51 10.431 11.536 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.223 9.691 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.386 11.327 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.132 13.268 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.330 9.267 -7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.884 14.113 -8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.087 10.109 -9.782 1.00 0.00 H new ATOM 0 HH TYR A 51 6.028 13.534 -10.596 1.00 0.00 H new