USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 53 SER OG : rot 180:sc= 0.0274 USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -0.0795 F(o=-2.2!,f=-0.052) USER MOD Set 2.1: A 27 THR OG1 : rot -45:sc= 0.873 USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= -0.778 USER MOD Set 3.1: A 10 LYS NZ :NH3+ -116:sc= 1.04 (180deg=-0.165) USER MOD Set 3.2: A 57 THR OG1 : rot -170:sc= 0.516 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0.0032) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 1.01 K(o=1,f=-6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -179:sc= 0 (180deg=-0.000848) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.116) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -142:sc= -0.471 (180deg=-1.87!) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 1.97 (180deg=1.03) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 46:sc= 0.0263 USER MOD Single : A 45 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -12.113 2.114 2.520 1.00 0.00 N ATOM 39 CA ASN A 4 -11.446 3.329 2.048 1.00 0.00 C ATOM 40 C ASN A 4 -10.511 3.875 3.119 1.00 0.00 C ATOM 41 O ASN A 4 -10.517 5.072 3.419 1.00 0.00 O ATOM 42 CB ASN A 4 -12.476 4.393 1.646 1.00 0.00 C ATOM 43 CG ASN A 4 -13.097 4.142 0.286 1.00 0.00 C ATOM 44 OD1 ASN A 4 -13.174 3.005 -0.182 1.00 0.00 O ATOM 45 ND2 ASN A 4 -13.562 5.205 -0.350 1.00 0.00 N ATOM 0 HA ASN A 4 -10.855 3.073 1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.265 4.427 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.996 5.371 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.004 5.100 -1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.478 6.129 0.073 1.00 0.00 H new ATOM 52 N MET A 5 -9.696 2.992 3.683 1.00 0.00 N ATOM 53 CA MET A 5 -8.818 3.363 4.779 1.00 0.00 C ATOM 54 C MET A 5 -7.514 3.928 4.245 1.00 0.00 C ATOM 55 O MET A 5 -6.782 3.247 3.529 1.00 0.00 O ATOM 56 CB MET A 5 -8.532 2.158 5.674 1.00 0.00 C ATOM 57 CG MET A 5 -7.935 2.543 7.017 1.00 0.00 C ATOM 58 SD MET A 5 -7.916 1.176 8.191 1.00 0.00 S ATOM 59 CE MET A 5 -7.174 1.972 9.616 1.00 0.00 C ATOM 0 H MET A 5 -9.627 2.015 3.398 1.00 0.00 H new ATOM 0 HA MET A 5 -9.321 4.128 5.371 1.00 0.00 H new ATOM 0 HB2 MET A 5 -9.458 1.607 5.839 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.848 1.484 5.159 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.917 2.901 6.867 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.505 3.370 7.439 1.00 0.00 H new ATOM 0 HE1 MET A 5 -7.093 1.254 10.432 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.181 2.337 9.353 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.797 2.810 9.930 1.00 0.00 H new ATOM 69 N PRO A 6 -7.211 5.181 4.579 1.00 0.00 N ATOM 70 CA PRO A 6 -5.988 5.828 4.128 1.00 0.00 C ATOM 71 C PRO A 6 -4.765 5.377 4.918 1.00 0.00 C ATOM 72 O PRO A 6 -4.804 5.286 6.146 1.00 0.00 O ATOM 73 CB PRO A 6 -6.268 7.309 4.371 1.00 0.00 C ATOM 74 CG PRO A 6 -7.238 7.340 5.501 1.00 0.00 C ATOM 75 CD PRO A 6 -8.039 6.067 5.416 1.00 0.00 C ATOM 0 HA PRO A 6 -5.755 5.587 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.354 7.847 4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.683 7.783 3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.718 7.407 6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.888 8.212 5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.212 5.637 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.017 6.240 4.968 1.00 0.00 H new ATOM 83 N ALA A 7 -3.690 5.087 4.206 1.00 0.00 N ATOM 84 CA ALA A 7 -2.430 4.733 4.839 1.00 0.00 C ATOM 85 C ALA A 7 -1.293 5.481 4.167 1.00 0.00 C ATOM 86 O ALA A 7 -1.223 5.565 2.939 1.00 0.00 O ATOM 87 CB ALA A 7 -2.188 3.230 4.799 1.00 0.00 C ATOM 0 H ALA A 7 -3.664 5.090 3.186 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.478 5.024 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.237 3.002 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.994 2.718 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.159 2.894 3.763 1.00 0.00 H new ATOM 93 N TYR A 8 -0.415 6.030 4.979 1.00 0.00 N ATOM 94 CA TYR A 8 0.656 6.881 4.497 1.00 0.00 C ATOM 95 C TYR A 8 1.918 6.055 4.271 1.00 0.00 C ATOM 96 O TYR A 8 2.388 5.373 5.177 1.00 0.00 O ATOM 97 CB TYR A 8 0.908 7.999 5.513 1.00 0.00 C ATOM 98 CG TYR A 8 -0.368 8.629 6.034 1.00 0.00 C ATOM 99 CD1 TYR A 8 -1.296 9.207 5.170 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.653 8.626 7.394 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.466 9.767 5.653 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.822 9.182 7.881 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.725 9.750 7.006 1.00 0.00 C ATOM 104 OH TYR A 8 -3.893 10.306 7.486 1.00 0.00 O ATOM 0 H TYR A 8 -0.422 5.900 5.991 1.00 0.00 H new ATOM 0 HA TYR A 8 0.371 7.329 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.477 7.598 6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.524 8.770 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.099 9.218 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.050 8.182 8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.174 10.216 4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.027 9.172 8.941 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.924 10.211 8.461 1.00 0.00 H new ATOM 114 N VAL A 9 2.456 6.109 3.062 1.00 0.00 N ATOM 115 CA VAL A 9 3.598 5.279 2.699 1.00 0.00 C ATOM 116 C VAL A 9 4.844 5.664 3.495 1.00 0.00 C ATOM 117 O VAL A 9 5.209 6.841 3.575 1.00 0.00 O ATOM 118 CB VAL A 9 3.916 5.364 1.195 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.095 4.469 0.855 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.704 4.986 0.360 1.00 0.00 C ATOM 0 H VAL A 9 2.122 6.718 2.315 1.00 0.00 H new ATOM 0 HA VAL A 9 3.319 4.254 2.941 1.00 0.00 H new ATOM 0 HB VAL A 9 4.179 6.395 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.309 4.539 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.969 4.788 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.854 3.437 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.956 5.054 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.403 3.965 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.882 5.667 0.582 1.00 0.00 H new ATOM 130 N LYS A 10 5.495 4.656 4.063 1.00 0.00 N ATOM 131 CA LYS A 10 6.672 4.863 4.902 1.00 0.00 C ATOM 132 C LYS A 10 7.946 4.903 4.068 1.00 0.00 C ATOM 133 O LYS A 10 8.879 5.646 4.373 1.00 0.00 O ATOM 134 CB LYS A 10 6.802 3.741 5.936 1.00 0.00 C ATOM 135 CG LYS A 10 5.619 3.616 6.876 1.00 0.00 C ATOM 136 CD LYS A 10 5.866 2.539 7.924 1.00 0.00 C ATOM 137 CE LYS A 10 6.973 2.936 8.888 1.00 0.00 C ATOM 138 NZ LYS A 10 6.585 4.089 9.741 1.00 0.00 N ATOM 0 H LYS A 10 5.225 3.678 3.957 1.00 0.00 H new ATOM 0 HA LYS A 10 6.542 5.820 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.936 2.794 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.703 3.909 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.438 4.572 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.721 3.375 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.947 2.355 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.131 1.604 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.224 2.085 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.871 3.189 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.203 4.899 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.597 4.348 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.683 3.828 10.743 1.00 0.00 H new ATOM 152 N PHE A 11 7.978 4.098 3.016 1.00 0.00 N ATOM 153 CA PHE A 11 9.186 3.915 2.226 1.00 0.00 C ATOM 154 C PHE A 11 8.840 3.606 0.774 1.00 0.00 C ATOM 155 O PHE A 11 7.789 3.034 0.485 1.00 0.00 O ATOM 156 CB PHE A 11 10.039 2.809 2.865 1.00 0.00 C ATOM 157 CG PHE A 11 10.646 1.829 1.907 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.828 2.125 1.251 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.039 0.608 1.678 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.394 1.219 0.375 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.596 -0.302 0.803 1.00 0.00 C ATOM 162 CZ PHE A 11 11.774 0.003 0.150 1.00 0.00 C ATOM 0 H PHE A 11 7.176 3.559 2.689 1.00 0.00 H new ATOM 0 HA PHE A 11 9.767 4.837 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.841 3.277 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.420 2.261 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.313 3.074 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.119 0.364 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.317 1.459 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.111 -1.251 0.629 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.211 -0.707 -0.536 1.00 0.00 H new ATOM 172 N ASN A 12 9.726 4.009 -0.126 1.00 0.00 N ATOM 173 CA ASN A 12 9.517 3.836 -1.565 1.00 0.00 C ATOM 174 C ASN A 12 9.581 2.364 -1.961 1.00 0.00 C ATOM 175 O ASN A 12 10.646 1.857 -2.321 1.00 0.00 O ATOM 176 CB ASN A 12 10.567 4.614 -2.369 1.00 0.00 C ATOM 177 CG ASN A 12 10.457 6.118 -2.209 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.369 6.658 -2.024 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.588 6.808 -2.284 1.00 0.00 N ATOM 0 H ASN A 12 10.607 4.463 0.114 1.00 0.00 H new ATOM 0 HA ASN A 12 8.524 4.224 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.562 4.295 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.467 4.360 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.573 7.823 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.472 6.323 -2.439 1.00 0.00 H new ATOM 186 N TYR A 13 8.450 1.678 -1.878 1.00 0.00 N ATOM 187 CA TYR A 13 8.377 0.283 -2.285 1.00 0.00 C ATOM 188 C TYR A 13 8.204 0.189 -3.792 1.00 0.00 C ATOM 189 O TYR A 13 7.194 0.630 -4.340 1.00 0.00 O ATOM 190 CB TYR A 13 7.221 -0.432 -1.578 1.00 0.00 C ATOM 191 CG TYR A 13 7.043 -1.872 -2.013 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.898 -2.866 -1.554 1.00 0.00 C ATOM 193 CD2 TYR A 13 6.024 -2.238 -2.889 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.745 -4.180 -1.948 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.863 -3.551 -3.288 1.00 0.00 C ATOM 196 CZ TYR A 13 6.729 -4.517 -2.815 1.00 0.00 C ATOM 197 OH TYR A 13 6.573 -5.825 -3.210 1.00 0.00 O ATOM 0 H TYR A 13 7.571 2.065 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 13 9.308 -0.207 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.392 -0.405 -0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.297 0.113 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.697 -2.606 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.348 -1.483 -3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.418 -4.940 -1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.066 -3.820 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 13 5.810 -5.893 -3.821 1.00 0.00 H new ATOM 207 N MET A 14 9.192 -0.379 -4.457 1.00 0.00 N ATOM 208 CA MET A 14 9.142 -0.518 -5.903 1.00 0.00 C ATOM 209 C MET A 14 8.481 -1.830 -6.303 1.00 0.00 C ATOM 210 O MET A 14 8.872 -2.907 -5.846 1.00 0.00 O ATOM 211 CB MET A 14 10.545 -0.420 -6.506 1.00 0.00 C ATOM 212 CG MET A 14 11.188 0.948 -6.329 1.00 0.00 C ATOM 213 SD MET A 14 10.219 2.271 -7.083 1.00 0.00 S ATOM 214 CE MET A 14 11.194 3.701 -6.619 1.00 0.00 C ATOM 0 H MET A 14 10.037 -0.751 -4.023 1.00 0.00 H new ATOM 0 HA MET A 14 8.539 0.300 -6.297 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.183 -1.175 -6.046 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.492 -0.653 -7.570 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.311 1.153 -5.266 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.185 0.937 -6.769 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.716 4.605 -6.996 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.266 3.755 -5.533 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.193 3.614 -7.045 1.00 0.00 H new ATOM 224 N ALA A 15 7.466 -1.729 -7.143 1.00 0.00 N ATOM 225 CA ALA A 15 6.749 -2.895 -7.629 1.00 0.00 C ATOM 226 C ALA A 15 7.307 -3.335 -8.972 1.00 0.00 C ATOM 227 O ALA A 15 7.872 -2.525 -9.709 1.00 0.00 O ATOM 228 CB ALA A 15 5.264 -2.594 -7.744 1.00 0.00 C ATOM 0 H ALA A 15 7.117 -0.842 -7.506 1.00 0.00 H new ATOM 0 HA ALA A 15 6.882 -3.708 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.741 -3.478 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.872 -2.319 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.113 -1.769 -8.440 1.00 0.00 H new ATOM 234 N GLU A 16 7.157 -4.610 -9.287 1.00 0.00 N ATOM 235 CA GLU A 16 7.669 -5.145 -10.537 1.00 0.00 C ATOM 236 C GLU A 16 6.536 -5.651 -11.423 1.00 0.00 C ATOM 237 O GLU A 16 6.329 -5.150 -12.530 1.00 0.00 O ATOM 238 CB GLU A 16 8.661 -6.277 -10.259 1.00 0.00 C ATOM 239 CG GLU A 16 9.182 -6.971 -11.507 1.00 0.00 C ATOM 240 CD GLU A 16 10.173 -6.130 -12.280 1.00 0.00 C ATOM 241 OE1 GLU A 16 9.766 -5.112 -12.872 1.00 0.00 O ATOM 242 OE2 GLU A 16 11.371 -6.490 -12.303 1.00 0.00 O ATOM 0 H GLU A 16 6.685 -5.294 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 16 8.181 -4.340 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.507 -5.875 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.180 -7.017 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.655 -7.911 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.342 -7.220 -12.155 1.00 0.00 H new ATOM 249 N ARG A 17 5.790 -6.629 -10.926 1.00 0.00 N ATOM 250 CA ARG A 17 4.807 -7.313 -11.752 1.00 0.00 C ATOM 251 C ARG A 17 3.399 -6.750 -11.585 1.00 0.00 C ATOM 252 O ARG A 17 3.158 -5.855 -10.773 1.00 0.00 O ATOM 253 CB ARG A 17 4.836 -8.817 -11.497 1.00 0.00 C ATOM 254 CG ARG A 17 4.891 -9.174 -10.039 1.00 0.00 C ATOM 255 CD ARG A 17 4.979 -10.674 -9.845 1.00 0.00 C ATOM 256 NE ARG A 17 5.256 -11.033 -8.457 1.00 0.00 N ATOM 257 CZ ARG A 17 6.101 -11.997 -8.097 1.00 0.00 C ATOM 258 NH1 ARG A 17 6.752 -12.698 -9.015 1.00 0.00 N ATOM 259 NH2 ARG A 17 6.307 -12.258 -6.815 1.00 0.00 N ATOM 0 H ARG A 17 5.846 -6.963 -9.964 1.00 0.00 H new ATOM 0 HA ARG A 17 5.088 -7.133 -12.790 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.950 -9.270 -11.941 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.701 -9.247 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.753 -8.694 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.004 -8.791 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.042 -11.135 -10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.763 -11.077 -10.487 1.00 0.00 H new ATOM 0 HE ARG A 17 4.775 -10.516 -7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.607 -12.500 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.398 -13.435 -8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.818 -11.720 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.955 -12.997 -6.543 1.00 0.00 H new ATOM 273 N GLU A 18 2.485 -7.309 -12.369 1.00 0.00 N ATOM 274 CA GLU A 18 1.132 -6.785 -12.545 1.00 0.00 C ATOM 275 C GLU A 18 0.345 -6.651 -11.235 1.00 0.00 C ATOM 276 O GLU A 18 -0.440 -5.715 -11.074 1.00 0.00 O ATOM 277 CB GLU A 18 0.381 -7.715 -13.497 1.00 0.00 C ATOM 278 CG GLU A 18 -1.027 -7.265 -13.840 1.00 0.00 C ATOM 279 CD GLU A 18 -1.787 -8.320 -14.613 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.384 -8.629 -15.756 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.777 -8.859 -14.078 1.00 0.00 O ATOM 0 H GLU A 18 2.665 -8.154 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 18 1.222 -5.776 -12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.954 -7.808 -14.420 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.332 -8.708 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.566 -7.030 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.981 -6.348 -14.427 1.00 0.00 H new ATOM 288 N ASP A 19 0.557 -7.565 -10.303 1.00 0.00 N ATOM 289 CA ASP A 19 -0.257 -7.608 -9.090 1.00 0.00 C ATOM 290 C ASP A 19 0.425 -6.887 -7.932 1.00 0.00 C ATOM 291 O ASP A 19 -0.012 -6.980 -6.787 1.00 0.00 O ATOM 292 CB ASP A 19 -0.574 -9.061 -8.709 1.00 0.00 C ATOM 293 CG ASP A 19 0.645 -9.852 -8.279 1.00 0.00 C ATOM 294 OD1 ASP A 19 1.707 -9.735 -8.925 1.00 0.00 O ATOM 295 OD2 ASP A 19 0.543 -10.612 -7.294 1.00 0.00 O ATOM 0 H ASP A 19 1.279 -8.284 -10.357 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.192 -7.087 -9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.304 -9.065 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.039 -9.559 -9.560 1.00 0.00 H new ATOM 300 N GLU A 20 1.477 -6.146 -8.239 1.00 0.00 N ATOM 301 CA GLU A 20 2.192 -5.380 -7.229 1.00 0.00 C ATOM 302 C GLU A 20 1.898 -3.891 -7.373 1.00 0.00 C ATOM 303 O GLU A 20 1.771 -3.380 -8.485 1.00 0.00 O ATOM 304 CB GLU A 20 3.693 -5.617 -7.333 1.00 0.00 C ATOM 305 CG GLU A 20 4.108 -7.024 -6.965 1.00 0.00 C ATOM 306 CD GLU A 20 5.600 -7.237 -7.075 1.00 0.00 C ATOM 307 OE1 GLU A 20 6.164 -7.002 -8.166 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.219 -7.629 -6.067 1.00 0.00 O ATOM 0 H GLU A 20 1.856 -6.058 -9.182 1.00 0.00 H new ATOM 0 HA GLU A 20 1.848 -5.716 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.016 -5.406 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.210 -4.912 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.788 -7.238 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.595 -7.732 -7.615 1.00 0.00 H new ATOM 315 N LEU A 21 1.791 -3.206 -6.245 1.00 0.00 N ATOM 316 CA LEU A 21 1.572 -1.766 -6.230 1.00 0.00 C ATOM 317 C LEU A 21 2.820 -1.040 -5.737 1.00 0.00 C ATOM 318 O LEU A 21 3.359 -1.370 -4.681 1.00 0.00 O ATOM 319 CB LEU A 21 0.384 -1.433 -5.324 1.00 0.00 C ATOM 320 CG LEU A 21 0.074 0.056 -5.162 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.334 0.671 -6.488 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.019 0.263 -4.127 1.00 0.00 C ATOM 0 H LEU A 21 1.853 -3.629 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 21 1.356 -1.435 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.502 -1.929 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.573 -1.856 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 21 0.980 0.554 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.549 1.730 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.478 0.558 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.224 0.167 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.226 1.328 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.924 -0.254 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.692 -0.136 -3.167 1.00 0.00 H new ATOM 334 N SER A 22 3.289 -0.071 -6.513 1.00 0.00 N ATOM 335 CA SER A 22 4.436 0.729 -6.115 1.00 0.00 C ATOM 336 C SER A 22 4.014 1.805 -5.122 1.00 0.00 C ATOM 337 O SER A 22 2.951 2.415 -5.262 1.00 0.00 O ATOM 338 CB SER A 22 5.108 1.354 -7.341 1.00 0.00 C ATOM 339 OG SER A 22 4.177 2.072 -8.138 1.00 0.00 O ATOM 0 H SER A 22 2.893 0.178 -7.419 1.00 0.00 H new ATOM 0 HA SER A 22 5.160 0.077 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.904 2.024 -7.018 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.573 0.571 -7.940 1.00 0.00 H new ATOM 0 HG SER A 22 4.638 2.460 -8.911 1.00 0.00 H new ATOM 345 N LEU A 23 4.844 2.028 -4.117 1.00 0.00 N ATOM 346 CA LEU A 23 4.528 2.981 -3.069 1.00 0.00 C ATOM 347 C LEU A 23 5.562 4.096 -3.020 1.00 0.00 C ATOM 348 O LEU A 23 6.743 3.874 -3.282 1.00 0.00 O ATOM 349 CB LEU A 23 4.452 2.277 -1.712 1.00 0.00 C ATOM 350 CG LEU A 23 3.393 1.176 -1.600 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.391 0.579 -0.202 1.00 0.00 C ATOM 352 CD2 LEU A 23 2.015 1.721 -1.952 1.00 0.00 C ATOM 0 H LEU A 23 5.744 1.560 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 23 3.556 3.421 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.427 1.843 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.256 3.025 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 23 3.641 0.387 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.633 -0.201 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.370 0.151 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.169 1.359 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.276 0.924 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.758 2.529 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.024 2.100 -2.974 1.00 0.00 H new ATOM 364 N ILE A 24 5.108 5.290 -2.677 1.00 0.00 N ATOM 365 CA ILE A 24 5.970 6.459 -2.620 1.00 0.00 C ATOM 366 C ILE A 24 5.970 7.046 -1.224 1.00 0.00 C ATOM 367 O ILE A 24 4.924 7.458 -0.716 1.00 0.00 O ATOM 368 CB ILE A 24 5.511 7.550 -3.611 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.633 7.047 -5.051 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.306 8.836 -3.408 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.050 6.704 -5.466 1.00 0.00 C ATOM 0 H ILE A 24 4.136 5.476 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 24 6.974 6.132 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 24 4.462 7.775 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.006 6.163 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.242 7.809 -5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.965 9.590 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.156 9.200 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.366 8.638 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.052 6.355 -6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.679 7.590 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.439 5.919 -4.817 1.00 0.00 H new ATOM 383 N LYS A 25 7.134 7.077 -0.603 1.00 0.00 N ATOM 384 CA LYS A 25 7.278 7.702 0.701 1.00 0.00 C ATOM 385 C LYS A 25 6.758 9.133 0.638 1.00 0.00 C ATOM 386 O LYS A 25 7.215 9.936 -0.179 1.00 0.00 O ATOM 387 CB LYS A 25 8.743 7.701 1.146 1.00 0.00 C ATOM 388 CG LYS A 25 8.933 8.217 2.561 1.00 0.00 C ATOM 389 CD LYS A 25 10.400 8.291 2.948 1.00 0.00 C ATOM 390 CE LYS A 25 10.565 8.604 4.426 1.00 0.00 C ATOM 391 NZ LYS A 25 9.836 9.839 4.827 1.00 0.00 N ATOM 0 H LYS A 25 7.994 6.677 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 25 6.699 7.132 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.137 6.687 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.326 8.315 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.485 9.207 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.407 7.565 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.887 7.344 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.897 9.058 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.202 7.763 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.624 8.720 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.086 10.087 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.101 10.620 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.811 9.674 4.763 1.00 0.00 H new ATOM 405 N GLY A 26 5.785 9.439 1.478 1.00 0.00 N ATOM 406 CA GLY A 26 5.213 10.761 1.475 1.00 0.00 C ATOM 407 C GLY A 26 3.797 10.787 0.939 1.00 0.00 C ATOM 408 O GLY A 26 3.075 11.762 1.136 1.00 0.00 O ATOM 0 H GLY A 26 5.383 8.796 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.219 11.157 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.837 11.420 0.872 1.00 0.00 H new ATOM 412 N THR A 27 3.394 9.725 0.259 1.00 0.00 N ATOM 413 CA THR A 27 2.061 9.681 -0.324 1.00 0.00 C ATOM 414 C THR A 27 1.124 8.799 0.494 1.00 0.00 C ATOM 415 O THR A 27 1.548 8.126 1.434 1.00 0.00 O ATOM 416 CB THR A 27 2.088 9.191 -1.784 1.00 0.00 C ATOM 417 OG1 THR A 27 2.618 7.862 -1.865 1.00 0.00 O ATOM 418 CG2 THR A 27 2.924 10.116 -2.651 1.00 0.00 C ATOM 0 H THR A 27 3.961 8.893 0.098 1.00 0.00 H new ATOM 0 HA THR A 27 1.685 10.704 -0.311 1.00 0.00 H new ATOM 0 HB THR A 27 1.061 9.191 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.424 7.797 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.927 9.748 -3.677 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.500 11.120 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.946 10.145 -2.273 1.00 0.00 H new ATOM 426 N LYS A 28 -0.147 8.799 0.120 1.00 0.00 N ATOM 427 CA LYS A 28 -1.166 8.066 0.849 1.00 0.00 C ATOM 428 C LYS A 28 -1.904 7.108 -0.081 1.00 0.00 C ATOM 429 O LYS A 28 -2.267 7.480 -1.199 1.00 0.00 O ATOM 430 CB LYS A 28 -2.150 9.058 1.467 1.00 0.00 C ATOM 431 CG LYS A 28 -3.308 8.416 2.202 1.00 0.00 C ATOM 432 CD LYS A 28 -4.571 9.255 2.076 1.00 0.00 C ATOM 433 CE LYS A 28 -5.053 9.326 0.633 1.00 0.00 C ATOM 434 NZ LYS A 28 -6.258 10.185 0.489 1.00 0.00 N ATOM 0 H LYS A 28 -0.498 9.305 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.692 7.480 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.609 9.704 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.546 9.697 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.489 7.419 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.052 8.295 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.355 8.830 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.378 10.262 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.253 9.715 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.280 8.321 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.552 10.206 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.030 9.800 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.036 11.151 0.804 1.00 0.00 H new ATOM 448 N VAL A 29 -2.124 5.883 0.375 1.00 0.00 N ATOM 449 CA VAL A 29 -2.855 4.903 -0.415 1.00 0.00 C ATOM 450 C VAL A 29 -4.211 4.613 0.222 1.00 0.00 C ATOM 451 O VAL A 29 -4.426 4.911 1.399 1.00 0.00 O ATOM 452 CB VAL A 29 -2.066 3.581 -0.590 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.623 3.871 -0.959 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.131 2.709 0.659 1.00 0.00 C ATOM 0 H VAL A 29 -1.808 5.545 1.284 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.999 5.335 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.536 3.025 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.082 2.932 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.592 4.429 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.157 4.460 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.565 1.793 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.705 3.251 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.170 2.460 0.875 1.00 0.00 H new ATOM 464 N ILE A 30 -5.125 4.055 -0.558 1.00 0.00 N ATOM 465 CA ILE A 30 -6.459 3.738 -0.067 1.00 0.00 C ATOM 466 C ILE A 30 -6.631 2.231 0.083 1.00 0.00 C ATOM 467 O ILE A 30 -6.769 1.513 -0.908 1.00 0.00 O ATOM 468 CB ILE A 30 -7.548 4.276 -1.021 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.409 5.788 -1.190 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.942 3.918 -0.518 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.668 6.574 0.078 1.00 0.00 C ATOM 0 H ILE A 30 -4.967 3.812 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.570 4.218 0.905 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.411 3.804 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.404 6.013 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.103 6.123 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.689 4.309 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.039 2.834 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.096 4.355 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.550 7.639 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.683 6.381 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.958 6.269 0.847 1.00 0.00 H new ATOM 483 N VAL A 31 -6.611 1.759 1.320 1.00 0.00 N ATOM 484 CA VAL A 31 -6.756 0.338 1.601 1.00 0.00 C ATOM 485 C VAL A 31 -8.229 -0.040 1.683 1.00 0.00 C ATOM 486 O VAL A 31 -9.006 0.613 2.383 1.00 0.00 O ATOM 487 CB VAL A 31 -6.070 -0.064 2.924 1.00 0.00 C ATOM 488 CG1 VAL A 31 -6.012 -1.580 3.045 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.674 0.537 3.027 1.00 0.00 C ATOM 0 H VAL A 31 -6.495 2.342 2.149 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.273 -0.195 0.782 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.662 0.332 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.526 -1.852 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.024 -1.985 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.445 -1.990 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.217 0.236 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.063 0.182 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.742 1.624 2.988 1.00 0.00 H new ATOM 499 N MET A 32 -8.615 -1.087 0.967 1.00 0.00 N ATOM 500 CA MET A 32 -9.997 -1.531 0.959 1.00 0.00 C ATOM 501 C MET A 32 -10.137 -2.948 1.508 1.00 0.00 C ATOM 502 O MET A 32 -11.199 -3.326 2.008 1.00 0.00 O ATOM 503 CB MET A 32 -10.548 -1.457 -0.453 1.00 0.00 C ATOM 504 CG MET A 32 -10.822 -0.038 -0.915 1.00 0.00 C ATOM 505 SD MET A 32 -11.113 0.062 -2.686 1.00 0.00 S ATOM 506 CE MET A 32 -9.563 -0.601 -3.281 1.00 0.00 C ATOM 0 H MET A 32 -7.989 -1.643 0.385 1.00 0.00 H new ATOM 0 HA MET A 32 -10.570 -0.870 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.840 -1.924 -1.137 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.471 -2.034 -0.506 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.690 0.353 -0.384 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.976 0.597 -0.652 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.253 -0.057 -4.173 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.801 -0.495 -2.508 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.688 -1.656 -3.525 1.00 0.00 H new ATOM 516 N GLU A 33 -9.072 -3.734 1.404 1.00 0.00 N ATOM 517 CA GLU A 33 -9.078 -5.100 1.905 1.00 0.00 C ATOM 518 C GLU A 33 -7.756 -5.408 2.596 1.00 0.00 C ATOM 519 O GLU A 33 -6.683 -5.260 2.006 1.00 0.00 O ATOM 520 CB GLU A 33 -9.318 -6.087 0.760 1.00 0.00 C ATOM 521 CG GLU A 33 -9.447 -7.535 1.209 1.00 0.00 C ATOM 522 CD GLU A 33 -10.592 -7.751 2.179 1.00 0.00 C ATOM 523 OE1 GLU A 33 -11.752 -7.823 1.731 1.00 0.00 O ATOM 524 OE2 GLU A 33 -10.332 -7.862 3.394 1.00 0.00 O ATOM 0 H GLU A 33 -8.192 -3.446 0.976 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.887 -5.204 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.226 -5.799 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.496 -6.010 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.593 -8.170 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.515 -7.849 1.679 1.00 0.00 H new ATOM 531 N LYS A 34 -7.844 -5.821 3.850 1.00 0.00 N ATOM 532 CA LYS A 34 -6.667 -6.146 4.638 1.00 0.00 C ATOM 533 C LYS A 34 -6.656 -7.617 5.018 1.00 0.00 C ATOM 534 O LYS A 34 -7.639 -8.143 5.545 1.00 0.00 O ATOM 535 CB LYS A 34 -6.612 -5.289 5.903 1.00 0.00 C ATOM 536 CG LYS A 34 -6.325 -3.830 5.625 1.00 0.00 C ATOM 537 CD LYS A 34 -6.317 -3.012 6.901 1.00 0.00 C ATOM 538 CE LYS A 34 -5.691 -1.649 6.675 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.757 -0.799 7.891 1.00 0.00 N ATOM 0 H LYS A 34 -8.727 -5.940 4.347 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.790 -5.936 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.562 -5.371 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.843 -5.683 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.361 -3.737 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.077 -3.434 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.337 -2.891 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.764 -3.545 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.650 -1.773 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.202 -1.147 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.005 -0.082 7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.683 -0.328 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.629 -1.392 8.736 1.00 0.00 H new ATOM 553 N CYS A 35 -5.549 -8.282 4.728 1.00 0.00 N ATOM 554 CA CYS A 35 -5.364 -9.660 5.147 1.00 0.00 C ATOM 555 C CYS A 35 -4.694 -9.683 6.518 1.00 0.00 C ATOM 556 O CYS A 35 -4.163 -8.663 6.969 1.00 0.00 O ATOM 557 CB CYS A 35 -4.525 -10.429 4.118 1.00 0.00 C ATOM 558 SG CYS A 35 -4.428 -12.211 4.418 1.00 0.00 S ATOM 0 H CYS A 35 -4.766 -7.889 4.205 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.335 -10.150 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.945 -10.262 3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.515 -10.018 4.110 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.701 -12.767 3.495 1.00 0.00 H new ATOM 564 N SER A 36 -4.723 -10.835 7.177 1.00 0.00 N ATOM 565 CA SER A 36 -4.165 -10.973 8.515 1.00 0.00 C ATOM 566 C SER A 36 -2.661 -10.712 8.521 1.00 0.00 C ATOM 567 O SER A 36 -2.104 -10.258 9.522 1.00 0.00 O ATOM 568 CB SER A 36 -4.450 -12.376 9.037 1.00 0.00 C ATOM 569 OG SER A 36 -5.826 -12.689 8.903 1.00 0.00 O ATOM 0 H SER A 36 -5.130 -11.692 6.803 1.00 0.00 H new ATOM 0 HA SER A 36 -4.634 -10.232 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.851 -13.103 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.156 -12.447 10.084 1.00 0.00 H new ATOM 0 HG SER A 36 -5.990 -13.594 9.242 1.00 0.00 H new ATOM 575 N ASP A 37 -2.014 -10.988 7.397 1.00 0.00 N ATOM 576 CA ASP A 37 -0.573 -10.826 7.286 1.00 0.00 C ATOM 577 C ASP A 37 -0.140 -10.749 5.826 1.00 0.00 C ATOM 578 O ASP A 37 -0.708 -11.426 4.965 1.00 0.00 O ATOM 579 CB ASP A 37 0.144 -11.991 7.979 1.00 0.00 C ATOM 580 CG ASP A 37 1.625 -12.036 7.656 1.00 0.00 C ATOM 581 OD1 ASP A 37 2.375 -11.173 8.158 1.00 0.00 O ATOM 582 OD2 ASP A 37 2.044 -12.939 6.900 1.00 0.00 O ATOM 0 H ASP A 37 -2.467 -11.326 6.548 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.300 -9.891 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.013 -11.904 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.319 -12.930 7.676 1.00 0.00 H new ATOM 587 N GLY A 38 0.843 -9.904 5.551 1.00 0.00 N ATOM 588 CA GLY A 38 1.468 -9.891 4.246 1.00 0.00 C ATOM 589 C GLY A 38 0.911 -8.840 3.312 1.00 0.00 C ATOM 590 O GLY A 38 1.418 -7.717 3.251 1.00 0.00 O ATOM 0 H GLY A 38 1.220 -9.225 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.538 -9.725 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.348 -10.872 3.786 1.00 0.00 H new ATOM 594 N TRP A 39 -0.135 -9.201 2.587 1.00 0.00 N ATOM 595 CA TRP A 39 -0.616 -8.379 1.489 1.00 0.00 C ATOM 596 C TRP A 39 -1.902 -7.644 1.831 1.00 0.00 C ATOM 597 O TRP A 39 -2.849 -8.224 2.367 1.00 0.00 O ATOM 598 CB TRP A 39 -0.837 -9.241 0.243 1.00 0.00 C ATOM 599 CG TRP A 39 0.409 -9.897 -0.258 1.00 0.00 C ATOM 600 CD1 TRP A 39 0.794 -11.192 -0.053 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.435 -9.291 -1.047 1.00 0.00 C ATOM 602 NE1 TRP A 39 1.999 -11.428 -0.667 1.00 0.00 N ATOM 603 CE2 TRP A 39 2.412 -10.275 -1.286 1.00 0.00 C ATOM 604 CE3 TRP A 39 1.621 -8.010 -1.577 1.00 0.00 C ATOM 605 CZ2 TRP A 39 3.558 -10.016 -2.031 1.00 0.00 C ATOM 606 CZ3 TRP A 39 2.757 -7.754 -2.316 1.00 0.00 C ATOM 607 CH2 TRP A 39 3.712 -8.753 -2.538 1.00 0.00 C ATOM 0 H TRP A 39 -0.667 -10.058 2.739 1.00 0.00 H new ATOM 0 HA TRP A 39 0.151 -7.629 1.295 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.577 -10.009 0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -1.255 -8.620 -0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.232 -11.923 0.510 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.504 -12.314 -0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.888 -7.235 -1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.299 -10.783 -2.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.912 -6.768 -2.729 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.590 -8.523 -3.122 1.00 0.00 H new ATOM 618 N TRP A 40 -1.916 -6.360 1.517 1.00 0.00 N ATOM 619 CA TRP A 40 -3.121 -5.551 1.586 1.00 0.00 C ATOM 620 C TRP A 40 -3.481 -5.074 0.188 1.00 0.00 C ATOM 621 O TRP A 40 -2.594 -4.737 -0.600 1.00 0.00 O ATOM 622 CB TRP A 40 -2.921 -4.344 2.504 1.00 0.00 C ATOM 623 CG TRP A 40 -2.906 -4.677 3.966 1.00 0.00 C ATOM 624 CD1 TRP A 40 -3.157 -5.890 4.537 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.644 -3.772 5.041 1.00 0.00 C ATOM 626 NE1 TRP A 40 -3.066 -5.797 5.904 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.751 -4.506 6.238 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.326 -2.413 5.111 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.554 -3.924 7.487 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.130 -1.837 6.352 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.246 -2.592 7.525 1.00 0.00 C ATOM 0 H TRP A 40 -1.090 -5.848 1.206 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.927 -6.160 1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.981 -3.857 2.245 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.717 -3.623 2.316 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.393 -6.793 3.993 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.209 -6.563 6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.235 -1.823 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.641 -4.504 8.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.883 -0.788 6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.089 -2.113 8.480 1.00 0.00 H new ATOM 642 N ARG A 41 -4.764 -5.056 -0.127 1.00 0.00 N ATOM 643 CA ARG A 41 -5.195 -4.574 -1.426 1.00 0.00 C ATOM 644 C ARG A 41 -5.637 -3.124 -1.318 1.00 0.00 C ATOM 645 O ARG A 41 -6.667 -2.812 -0.708 1.00 0.00 O ATOM 646 CB ARG A 41 -6.313 -5.442 -2.014 1.00 0.00 C ATOM 647 CG ARG A 41 -6.690 -5.045 -3.435 1.00 0.00 C ATOM 648 CD ARG A 41 -7.556 -6.091 -4.116 1.00 0.00 C ATOM 649 NE ARG A 41 -8.842 -6.279 -3.445 1.00 0.00 N ATOM 650 CZ ARG A 41 -9.940 -6.724 -4.058 1.00 0.00 C ATOM 651 NH1 ARG A 41 -9.931 -6.961 -5.366 1.00 0.00 N ATOM 652 NH2 ARG A 41 -11.056 -6.917 -3.364 1.00 0.00 N ATOM 0 H ARG A 41 -5.516 -5.365 0.489 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.348 -4.639 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.998 -6.485 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.194 -5.370 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.222 -4.094 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.783 -4.891 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.730 -5.796 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.021 -7.040 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.903 -6.057 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.081 -6.803 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.774 -7.301 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.073 -6.725 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.896 -7.257 -3.833 1.00 0.00 H new ATOM 666 N GLY A 42 -4.839 -2.245 -1.897 1.00 0.00 N ATOM 667 CA GLY A 42 -5.116 -0.835 -1.834 1.00 0.00 C ATOM 668 C GLY A 42 -4.892 -0.161 -3.165 1.00 0.00 C ATOM 669 O GLY A 42 -4.239 -0.718 -4.047 1.00 0.00 O ATOM 0 H GLY A 42 -3.995 -2.490 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.148 -0.681 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.479 -0.372 -1.080 1.00 0.00 H new ATOM 673 N SER A 43 -5.442 1.024 -3.314 1.00 0.00 N ATOM 674 CA SER A 43 -5.311 1.778 -4.545 1.00 0.00 C ATOM 675 C SER A 43 -4.495 3.039 -4.311 1.00 0.00 C ATOM 676 O SER A 43 -4.612 3.685 -3.265 1.00 0.00 O ATOM 677 CB SER A 43 -6.698 2.095 -5.113 1.00 0.00 C ATOM 678 OG SER A 43 -6.673 3.176 -6.026 1.00 0.00 O ATOM 0 H SER A 43 -5.990 1.491 -2.591 1.00 0.00 H new ATOM 0 HA SER A 43 -4.777 1.177 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.094 1.211 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.378 2.330 -4.294 1.00 0.00 H new ATOM 0 HG SER A 43 -5.930 3.057 -6.654 1.00 0.00 H new ATOM 684 N TYR A 44 -3.651 3.369 -5.276 1.00 0.00 N ATOM 685 CA TYR A 44 -2.780 4.521 -5.164 1.00 0.00 C ATOM 686 C TYR A 44 -2.880 5.391 -6.409 1.00 0.00 C ATOM 687 O TYR A 44 -2.558 4.954 -7.516 1.00 0.00 O ATOM 688 CB TYR A 44 -1.329 4.081 -4.926 1.00 0.00 C ATOM 689 CG TYR A 44 -0.332 5.212 -5.032 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.323 6.245 -4.106 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.584 5.255 -6.074 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.574 7.287 -4.214 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.482 6.295 -6.190 1.00 0.00 C ATOM 694 CZ TYR A 44 1.473 7.308 -5.260 1.00 0.00 C ATOM 695 OH TYR A 44 2.362 8.349 -5.377 1.00 0.00 O ATOM 0 H TYR A 44 -3.553 2.850 -6.149 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.102 5.112 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.252 3.630 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.068 3.308 -5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.029 6.233 -3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.594 4.461 -6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.573 8.082 -3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.188 6.314 -7.007 1.00 0.00 H new ATOM 0 HH TYR A 44 2.925 8.211 -6.167 1.00 0.00 H new ATOM 705 N ASN A 45 -3.363 6.615 -6.210 1.00 0.00 N ATOM 706 CA ASN A 45 -3.481 7.621 -7.273 1.00 0.00 C ATOM 707 C ASN A 45 -4.530 7.229 -8.318 1.00 0.00 C ATOM 708 O ASN A 45 -4.750 7.952 -9.289 1.00 0.00 O ATOM 709 CB ASN A 45 -2.123 7.868 -7.948 1.00 0.00 C ATOM 710 CG ASN A 45 -2.087 9.170 -8.729 1.00 0.00 C ATOM 711 OD1 ASN A 45 -2.732 10.153 -8.353 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.337 9.187 -9.820 1.00 0.00 N ATOM 0 H ASN A 45 -3.687 6.943 -5.300 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.812 8.546 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.341 7.883 -7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.899 7.039 -8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.277 10.035 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.819 8.353 -10.096 1.00 0.00 H new ATOM 719 N GLY A 46 -5.192 6.097 -8.115 1.00 0.00 N ATOM 720 CA GLY A 46 -6.224 5.677 -9.040 1.00 0.00 C ATOM 721 C GLY A 46 -6.222 4.180 -9.292 1.00 0.00 C ATOM 722 O GLY A 46 -7.278 3.545 -9.282 1.00 0.00 O ATOM 0 H GLY A 46 -5.033 5.466 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.197 5.973 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.090 6.199 -9.987 1.00 0.00 H new ATOM 726 N GLN A 47 -5.044 3.612 -9.516 1.00 0.00 N ATOM 727 CA GLN A 47 -4.938 2.189 -9.812 1.00 0.00 C ATOM 728 C GLN A 47 -4.799 1.389 -8.523 1.00 0.00 C ATOM 729 O GLN A 47 -4.180 1.846 -7.559 1.00 0.00 O ATOM 730 CB GLN A 47 -3.751 1.912 -10.744 1.00 0.00 C ATOM 731 CG GLN A 47 -3.669 0.465 -11.204 1.00 0.00 C ATOM 732 CD GLN A 47 -2.517 0.215 -12.158 1.00 0.00 C ATOM 733 OE1 GLN A 47 -1.408 -0.112 -11.742 1.00 0.00 O ATOM 734 NE2 GLN A 47 -2.773 0.373 -13.447 1.00 0.00 N ATOM 0 H GLN A 47 -4.154 4.111 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.850 1.877 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.826 2.559 -11.618 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.826 2.175 -10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.561 -0.182 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.604 0.190 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.708 0.645 -13.752 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.036 0.222 -14.136 1.00 0.00 H new ATOM 743 N VAL A 48 -5.373 0.197 -8.511 1.00 0.00 N ATOM 744 CA VAL A 48 -5.382 -0.634 -7.317 1.00 0.00 C ATOM 745 C VAL A 48 -4.382 -1.781 -7.455 1.00 0.00 C ATOM 746 O VAL A 48 -3.904 -2.069 -8.553 1.00 0.00 O ATOM 747 CB VAL A 48 -6.790 -1.220 -7.059 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.977 -2.528 -7.814 1.00 0.00 C ATOM 749 CG2 VAL A 48 -7.042 -1.400 -5.569 1.00 0.00 C ATOM 0 H VAL A 48 -5.840 -0.218 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.100 -0.002 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.527 -0.510 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.974 -2.922 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.861 -2.351 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.230 -3.249 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.039 -1.813 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.299 -2.081 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.969 -0.435 -5.068 1.00 0.00 H new ATOM 759 N GLY A 49 -4.064 -2.421 -6.341 1.00 0.00 N ATOM 760 CA GLY A 49 -3.225 -3.589 -6.380 1.00 0.00 C ATOM 761 C GLY A 49 -2.821 -4.046 -4.995 1.00 0.00 C ATOM 762 O GLY A 49 -3.427 -3.637 -4.003 1.00 0.00 O ATOM 0 H GLY A 49 -4.376 -2.147 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.752 -4.396 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.331 -3.373 -6.965 1.00 0.00 H new ATOM 766 N TRP A 50 -1.804 -4.892 -4.919 1.00 0.00 N ATOM 767 CA TRP A 50 -1.372 -5.451 -3.644 1.00 0.00 C ATOM 768 C TRP A 50 -0.077 -4.804 -3.176 1.00 0.00 C ATOM 769 O TRP A 50 0.861 -4.633 -3.957 1.00 0.00 O ATOM 770 CB TRP A 50 -1.171 -6.964 -3.762 1.00 0.00 C ATOM 771 CG TRP A 50 -2.399 -7.702 -4.199 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.741 -8.036 -5.479 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.449 -8.197 -3.358 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.938 -8.711 -5.483 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.395 -8.819 -4.194 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.682 -8.174 -1.981 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.551 -9.416 -3.698 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.832 -8.763 -1.488 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.754 -9.376 -2.344 1.00 0.00 C ATOM 0 H TRP A 50 -1.262 -5.207 -5.724 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.153 -5.247 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.368 -7.161 -4.472 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.847 -7.355 -2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.157 -7.804 -6.357 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.411 -9.073 -6.311 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.976 -7.704 -1.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.262 -9.893 -4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -5.022 -8.750 -0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.643 -9.827 -1.929 1.00 0.00 H new ATOM 790 N PHE A 51 -0.031 -4.445 -1.905 1.00 0.00 N ATOM 791 CA PHE A 51 1.180 -3.908 -1.314 1.00 0.00 C ATOM 792 C PHE A 51 1.378 -4.507 0.077 1.00 0.00 C ATOM 793 O PHE A 51 0.406 -4.850 0.755 1.00 0.00 O ATOM 794 CB PHE A 51 1.130 -2.372 -1.246 1.00 0.00 C ATOM 795 CG PHE A 51 0.137 -1.818 -0.256 1.00 0.00 C ATOM 796 CD1 PHE A 51 -1.170 -1.546 -0.631 1.00 0.00 C ATOM 797 CD2 PHE A 51 0.514 -1.569 1.054 1.00 0.00 C ATOM 798 CE1 PHE A 51 -2.077 -1.042 0.282 1.00 0.00 C ATOM 799 CE2 PHE A 51 -0.386 -1.065 1.968 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.683 -0.800 1.583 1.00 0.00 C ATOM 0 H PHE A 51 -0.820 -4.516 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 51 2.028 -4.179 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.123 -2.001 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.890 -1.986 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.483 -1.730 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.528 -1.773 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.093 -0.838 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.075 -0.878 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.389 -0.404 2.298 1.00 0.00 H new ATOM 810 N PRO A 52 2.637 -4.671 0.507 1.00 0.00 N ATOM 811 CA PRO A 52 2.960 -5.198 1.831 1.00 0.00 C ATOM 812 C PRO A 52 2.672 -4.186 2.935 1.00 0.00 C ATOM 813 O PRO A 52 3.030 -3.011 2.830 1.00 0.00 O ATOM 814 CB PRO A 52 4.465 -5.496 1.756 1.00 0.00 C ATOM 815 CG PRO A 52 4.835 -5.343 0.316 1.00 0.00 C ATOM 816 CD PRO A 52 3.847 -4.377 -0.264 1.00 0.00 C ATOM 0 HA PRO A 52 2.359 -6.074 2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.032 -4.807 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.683 -6.503 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.853 -4.969 0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.793 -6.301 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.168 -3.343 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.699 -4.538 -1.332 1.00 0.00 H new ATOM 824 N SER A 53 2.054 -4.663 4.005 1.00 0.00 N ATOM 825 CA SER A 53 1.642 -3.820 5.126 1.00 0.00 C ATOM 826 C SER A 53 2.835 -3.213 5.872 1.00 0.00 C ATOM 827 O SER A 53 2.680 -2.281 6.654 1.00 0.00 O ATOM 828 CB SER A 53 0.817 -4.665 6.090 1.00 0.00 C ATOM 829 OG SER A 53 1.489 -5.881 6.377 1.00 0.00 O ATOM 0 H SER A 53 1.822 -5.649 4.124 1.00 0.00 H new ATOM 0 HA SER A 53 1.056 -2.991 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.643 -4.111 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.160 -4.875 5.655 1.00 0.00 H new ATOM 0 HG SER A 53 0.950 -6.414 6.998 1.00 0.00 H new ATOM 835 N ASN A 54 4.023 -3.741 5.610 1.00 0.00 N ATOM 836 CA ASN A 54 5.223 -3.352 6.350 1.00 0.00 C ATOM 837 C ASN A 54 5.815 -2.049 5.826 1.00 0.00 C ATOM 838 O ASN A 54 6.873 -1.616 6.284 1.00 0.00 O ATOM 839 CB ASN A 54 6.282 -4.460 6.270 1.00 0.00 C ATOM 840 CG ASN A 54 5.942 -5.683 7.107 1.00 0.00 C ATOM 841 OD1 ASN A 54 4.661 -5.972 7.265 1.00 0.00 O flip ATOM 842 ND2 ASN A 54 6.834 -6.371 7.599 1.00 0.00 N flip ATOM 0 H ASN A 54 4.185 -4.443 4.888 1.00 0.00 H new ATOM 0 HA ASN A 54 4.926 -3.199 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.402 -4.763 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.241 -4.060 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.812 -6.117 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.597 -7.196 8.150 1.00 0.00 H new ATOM 849 N TYR A 55 5.141 -1.422 4.870 1.00 0.00 N ATOM 850 CA TYR A 55 5.668 -0.220 4.231 1.00 0.00 C ATOM 851 C TYR A 55 4.668 0.934 4.287 1.00 0.00 C ATOM 852 O TYR A 55 4.847 1.952 3.615 1.00 0.00 O ATOM 853 CB TYR A 55 6.052 -0.537 2.786 1.00 0.00 C ATOM 854 CG TYR A 55 7.077 -1.647 2.688 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.298 -1.545 3.345 1.00 0.00 C ATOM 856 CD2 TYR A 55 6.817 -2.806 1.969 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.232 -2.559 3.279 1.00 0.00 C ATOM 858 CE2 TYR A 55 7.746 -3.828 1.902 1.00 0.00 C ATOM 859 CZ TYR A 55 8.951 -3.699 2.559 1.00 0.00 C ATOM 860 OH TYR A 55 9.878 -4.714 2.495 1.00 0.00 O ATOM 0 H TYR A 55 4.232 -1.723 4.520 1.00 0.00 H new ATOM 0 HA TYR A 55 6.555 0.100 4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.159 -0.822 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.448 0.362 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.520 -0.656 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.874 -2.911 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.179 -2.459 3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.529 -4.723 1.338 1.00 0.00 H new ATOM 0 HH TYR A 55 9.524 -5.446 1.949 1.00 0.00 H new ATOM 870 N VAL A 56 3.623 0.787 5.103 1.00 0.00 N ATOM 871 CA VAL A 56 2.614 1.835 5.242 1.00 0.00 C ATOM 872 C VAL A 56 2.338 2.175 6.704 1.00 0.00 C ATOM 873 O VAL A 56 2.281 1.300 7.567 1.00 0.00 O ATOM 874 CB VAL A 56 1.280 1.479 4.551 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.453 1.471 3.042 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.738 0.142 5.041 1.00 0.00 C ATOM 0 H VAL A 56 3.455 -0.042 5.673 1.00 0.00 H new ATOM 0 HA VAL A 56 3.040 2.706 4.743 1.00 0.00 H new ATOM 0 HB VAL A 56 0.550 2.244 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.504 1.218 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.774 2.457 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.205 0.731 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.202 -0.077 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.460 -0.645 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.567 0.191 6.116 1.00 0.00 H new ATOM 886 N THR A 57 2.200 3.465 6.962 1.00 0.00 N ATOM 887 CA THR A 57 1.797 3.975 8.260 1.00 0.00 C ATOM 888 C THR A 57 0.308 4.303 8.237 1.00 0.00 C ATOM 889 O THR A 57 -0.121 5.158 7.467 1.00 0.00 O ATOM 890 CB THR A 57 2.608 5.249 8.625 1.00 0.00 C ATOM 891 OG1 THR A 57 3.903 4.901 9.126 1.00 0.00 O ATOM 892 CG2 THR A 57 1.889 6.115 9.647 1.00 0.00 C ATOM 0 H THR A 57 2.367 4.194 6.268 1.00 0.00 H new ATOM 0 HA THR A 57 1.994 3.212 9.013 1.00 0.00 H new ATOM 0 HB THR A 57 2.713 5.825 7.706 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.336 5.699 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.495 6.993 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.927 6.431 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.729 5.543 10.561 1.00 0.00 H new ATOM 900 N GLU A 58 -0.475 3.601 9.053 1.00 0.00 N ATOM 901 CA GLU A 58 -1.906 3.880 9.168 1.00 0.00 C ATOM 902 C GLU A 58 -2.104 5.357 9.525 1.00 0.00 C ATOM 903 O GLU A 58 -2.520 6.160 8.695 1.00 0.00 O ATOM 904 CB GLU A 58 -2.524 2.974 10.235 1.00 0.00 C ATOM 905 CG GLU A 58 -2.279 1.503 9.960 1.00 0.00 C ATOM 906 CD GLU A 58 -3.514 0.773 9.480 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.874 0.916 8.297 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.125 0.033 10.286 1.00 0.00 O ATOM 0 H GLU A 58 -0.145 2.837 9.643 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.402 3.678 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.111 3.232 11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.597 3.157 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.493 1.406 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.913 1.026 10.869 1.00 0.00 H new