USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 568 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 Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 170:sc= -0.0228 (180deg=-0.14) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.22 K(o=-1.2,f=-9.7!) USER MOD Single : A 14 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 15 THR OG1 : rot -38:sc= 0.509 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.969 K(o=0.97,f=-6.3!) USER MOD Single : A 23 ASN : amide:sc= 0.0945 X(o=0.094,f=-0.34) USER MOD Single : A 25 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.14) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.98) USER MOD Single : A 35 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.05) USER MOD Single : A 37 MET CE :methyl 167:sc= -1.22 (180deg=-1.43) USER MOD Single : A 39 THR OG1 : rot 23:sc= 1.1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.0896 X(o=0.09,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 146:sc= 0.575 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0867 X(o=-0.087,f=-0.16) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.515 K(o=-0.51,f=-2.5!) USER MOD Single : A 77 THR OG1 : rot 127:sc= 1.19 USER MOD Single : A 80 TYR OH : rot 180:sc=-0.000367 USER MOD Single : A 83 SER OG : rot 91:sc= 2.46 USER MOD Single : A 84 TYR OH : rot 90:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.989 -3.517 -6.557 1.00 0.00 N ATOM 27 CA TYR A 4 8.878 -3.029 -5.199 1.00 0.00 C ATOM 28 C TYR A 4 7.494 -2.434 -5.035 1.00 0.00 C ATOM 29 O TYR A 4 6.818 -2.115 -6.021 1.00 0.00 O ATOM 30 CB TYR A 4 9.891 -1.916 -4.920 1.00 0.00 C ATOM 31 CG TYR A 4 9.955 -0.856 -6.004 1.00 0.00 C ATOM 32 CD1 TYR A 4 9.035 0.206 -5.986 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.834 -0.996 -7.092 1.00 0.00 C ATOM 34 CE1 TYR A 4 9.003 1.128 -7.044 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.808 -0.070 -8.146 1.00 0.00 C ATOM 36 CZ TYR A 4 9.891 0.988 -8.122 1.00 0.00 C ATOM 37 OH TYR A 4 9.822 1.828 -9.186 1.00 0.00 O ATOM 0 HA TYR A 4 9.063 -3.857 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.639 -1.438 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.879 -2.360 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.351 0.313 -5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.532 -1.820 -7.117 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.296 1.944 -7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.494 -0.173 -8.974 1.00 0.00 H new ATOM 0 HH TYR A 4 10.512 1.587 -9.838 1.00 0.00 H new ATOM 47 N LEU A 5 7.139 -2.201 -3.779 1.00 0.00 N ATOM 48 CA LEU A 5 5.901 -1.577 -3.359 1.00 0.00 C ATOM 49 C LEU A 5 6.250 -0.570 -2.263 1.00 0.00 C ATOM 50 O LEU A 5 6.349 -0.927 -1.088 1.00 0.00 O ATOM 51 CB LEU A 5 4.934 -2.680 -2.915 1.00 0.00 C ATOM 52 CG LEU A 5 3.473 -2.212 -2.772 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.506 -3.136 -3.531 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.067 -2.128 -1.296 1.00 0.00 C ATOM 0 H LEU A 5 7.737 -2.455 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 5 5.398 -1.030 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.974 -3.496 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.271 -3.082 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 5 3.409 -1.217 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.485 -2.775 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.763 -3.141 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.583 -4.148 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.032 -1.795 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.166 -3.111 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.714 -1.418 -0.781 1.00 0.00 H new ATOM 66 N ILE A 6 6.500 0.673 -2.676 1.00 0.00 N ATOM 67 CA ILE A 6 6.734 1.803 -1.789 1.00 0.00 C ATOM 68 C ILE A 6 5.565 2.773 -1.880 1.00 0.00 C ATOM 69 O ILE A 6 4.827 2.780 -2.870 1.00 0.00 O ATOM 70 CB ILE A 6 8.022 2.565 -2.153 1.00 0.00 C ATOM 71 CG1 ILE A 6 8.197 2.812 -3.660 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.265 1.871 -1.611 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.603 4.254 -3.937 1.00 0.00 C ATOM 0 H ILE A 6 6.546 0.924 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 6 6.837 1.406 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 6 7.907 3.538 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.954 2.135 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.265 2.587 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.151 2.441 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.202 1.807 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.333 0.867 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.720 4.399 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.833 4.927 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.548 4.468 -3.437 1.00 0.00 H new ATOM 85 N MET A 7 5.422 3.605 -0.853 1.00 0.00 N ATOM 86 CA MET A 7 4.597 4.771 -0.821 1.00 0.00 C ATOM 87 C MET A 7 5.359 6.083 -0.761 1.00 0.00 C ATOM 88 O MET A 7 6.570 6.121 -0.552 1.00 0.00 O ATOM 89 CB MET A 7 3.560 4.657 0.282 1.00 0.00 C ATOM 90 CG MET A 7 3.466 3.326 1.033 1.00 0.00 C ATOM 91 SD MET A 7 2.067 3.144 2.166 1.00 0.00 S ATOM 92 CE MET A 7 0.720 2.954 0.986 1.00 0.00 C ATOM 0 H MET A 7 5.918 3.459 0.026 1.00 0.00 H new ATOM 0 HA MET A 7 4.085 4.806 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.759 5.441 1.012 1.00 0.00 H new ATOM 0 HB3 MET A 7 2.583 4.867 -0.153 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.419 2.521 0.299 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.386 3.187 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.186 2.655 1.513 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.547 3.902 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.983 2.190 0.254 1.00 0.00 H new ATOM 102 N CYS A 8 4.606 7.151 -1.009 1.00 0.00 N ATOM 103 CA CYS A 8 5.078 8.452 -1.427 1.00 0.00 C ATOM 104 C CYS A 8 4.122 9.519 -0.938 1.00 0.00 C ATOM 105 O CYS A 8 2.958 9.253 -0.612 1.00 0.00 O ATOM 106 CB CYS A 8 5.154 8.531 -2.953 1.00 0.00 C ATOM 107 SG CYS A 8 6.170 7.327 -3.836 1.00 0.00 S ATOM 0 H CYS A 8 3.591 7.121 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 8 6.071 8.609 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.138 8.452 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.517 9.525 -3.215 1.00 0.00 H new ATOM 112 N LYS A 9 4.638 10.743 -0.894 1.00 0.00 N ATOM 113 CA LYS A 9 3.878 11.914 -0.501 1.00 0.00 C ATOM 114 C LYS A 9 2.836 12.235 -1.578 1.00 0.00 C ATOM 115 O LYS A 9 1.717 12.640 -1.272 1.00 0.00 O ATOM 116 CB LYS A 9 4.837 13.104 -0.316 1.00 0.00 C ATOM 117 CG LYS A 9 5.999 12.796 0.645 1.00 0.00 C ATOM 118 CD LYS A 9 6.001 13.654 1.917 1.00 0.00 C ATOM 119 CE LYS A 9 6.599 15.067 1.814 1.00 0.00 C ATOM 120 NZ LYS A 9 5.838 15.990 0.951 1.00 0.00 N ATOM 0 H LYS A 9 5.608 10.947 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 9 3.363 11.721 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.242 13.392 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.277 13.959 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.954 11.744 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.942 12.944 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.971 13.748 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.548 13.112 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.664 15.495 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.618 14.990 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.307 16.918 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.797 15.607 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.873 16.096 1.323 1.00 0.00 H new ATOM 134 N ASN A 10 3.216 12.085 -2.847 1.00 0.00 N ATOM 135 CA ASN A 10 2.399 12.365 -4.023 1.00 0.00 C ATOM 136 C ASN A 10 2.641 11.257 -5.041 1.00 0.00 C ATOM 137 O ASN A 10 3.312 10.275 -4.746 1.00 0.00 O ATOM 138 CB ASN A 10 2.740 13.732 -4.634 1.00 0.00 C ATOM 139 CG ASN A 10 4.101 13.747 -5.317 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.931 12.890 -5.052 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.346 14.680 -6.222 1.00 0.00 N ATOM 0 H ASN A 10 4.147 11.749 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 10 1.349 12.397 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.972 14.004 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.723 14.490 -3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.240 14.692 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.641 15.387 -6.430 1.00 0.00 H new ATOM 148 N CYS A 11 2.144 11.432 -6.259 1.00 0.00 N ATOM 149 CA CYS A 11 2.244 10.414 -7.303 1.00 0.00 C ATOM 150 C CYS A 11 3.633 10.317 -7.933 1.00 0.00 C ATOM 151 O CYS A 11 3.828 9.560 -8.883 1.00 0.00 O ATOM 152 CB CYS A 11 1.237 10.788 -8.388 1.00 0.00 C ATOM 153 SG CYS A 11 0.907 9.586 -9.698 1.00 0.00 S ATOM 0 H CYS A 11 1.661 12.281 -6.553 1.00 0.00 H new ATOM 0 HA CYS A 11 2.044 9.443 -6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.290 11.016 -7.899 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.582 11.708 -8.860 1.00 0.00 H new ATOM 158 N ASP A 12 4.605 11.086 -7.440 1.00 0.00 N ATOM 159 CA ASP A 12 5.856 11.331 -8.148 1.00 0.00 C ATOM 160 C ASP A 12 7.040 10.582 -7.512 1.00 0.00 C ATOM 161 O ASP A 12 7.558 11.009 -6.479 1.00 0.00 O ATOM 162 CB ASP A 12 6.134 12.834 -8.222 1.00 0.00 C ATOM 163 CG ASP A 12 7.204 13.072 -9.256 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.340 12.622 -9.035 1.00 0.00 O ATOM 165 OD2 ASP A 12 6.874 13.633 -10.319 1.00 0.00 O ATOM 0 H ASP A 12 4.544 11.556 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 12 5.745 10.942 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.225 13.375 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.456 13.208 -7.250 1.00 0.00 H new ATOM 170 N PRO A 13 7.525 9.481 -8.102 1.00 0.00 N ATOM 171 CA PRO A 13 8.676 8.767 -7.573 1.00 0.00 C ATOM 172 C PRO A 13 9.964 9.594 -7.662 1.00 0.00 C ATOM 173 O PRO A 13 10.924 9.320 -6.939 1.00 0.00 O ATOM 174 CB PRO A 13 8.789 7.486 -8.400 1.00 0.00 C ATOM 175 CG PRO A 13 8.082 7.825 -9.711 1.00 0.00 C ATOM 176 CD PRO A 13 7.029 8.851 -9.309 1.00 0.00 C ATOM 0 HA PRO A 13 8.541 8.555 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.830 7.211 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.314 6.644 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.777 8.233 -10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.627 6.941 -10.159 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.879 9.586 -10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.066 8.373 -9.132 1.00 0.00 H new ATOM 184 N ASN A 14 10.023 10.563 -8.573 1.00 0.00 N ATOM 185 CA ASN A 14 11.218 11.324 -8.895 1.00 0.00 C ATOM 186 C ASN A 14 11.505 12.321 -7.782 1.00 0.00 C ATOM 187 O ASN A 14 12.597 12.317 -7.215 1.00 0.00 O ATOM 188 CB ASN A 14 11.019 12.046 -10.233 1.00 0.00 C ATOM 189 CG ASN A 14 12.298 12.300 -11.015 1.00 0.00 C ATOM 190 OD1 ASN A 14 12.345 12.015 -12.212 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.342 12.830 -10.401 1.00 0.00 N ATOM 0 H ASN A 14 9.212 10.846 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 14 12.071 10.651 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.342 11.456 -10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.528 13.001 -10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.202 13.008 -10.919 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.287 13.061 -9.409 1.00 0.00 H new ATOM 198 N THR A 15 10.533 13.178 -7.476 1.00 0.00 N ATOM 199 CA THR A 15 10.695 14.292 -6.552 1.00 0.00 C ATOM 200 C THR A 15 9.555 14.386 -5.534 1.00 0.00 C ATOM 201 O THR A 15 9.453 15.373 -4.796 1.00 0.00 O ATOM 202 CB THR A 15 10.906 15.584 -7.362 1.00 0.00 C ATOM 203 OG1 THR A 15 11.288 16.647 -6.512 1.00 0.00 O ATOM 204 CG2 THR A 15 9.676 15.984 -8.185 1.00 0.00 C ATOM 0 H THR A 15 9.595 13.114 -7.872 1.00 0.00 H new ATOM 0 HA THR A 15 11.582 14.125 -5.940 1.00 0.00 H new ATOM 0 HB THR A 15 11.708 15.376 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.793 16.586 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.888 16.902 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.435 15.188 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.829 16.147 -7.518 1.00 0.00 H new ATOM 212 N GLY A 16 8.744 13.340 -5.414 1.00 0.00 N ATOM 213 CA GLY A 16 7.788 13.219 -4.328 1.00 0.00 C ATOM 214 C GLY A 16 8.522 12.990 -3.020 1.00 0.00 C ATOM 215 O GLY A 16 8.219 13.631 -2.017 1.00 0.00 O ATOM 0 H GLY A 16 8.734 12.556 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.182 14.123 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.106 12.391 -4.522 1.00 0.00 H new ATOM 219 N SER A 17 9.495 12.080 -3.051 1.00 0.00 N ATOM 220 CA SER A 17 10.113 11.473 -1.885 1.00 0.00 C ATOM 221 C SER A 17 9.149 10.422 -1.338 1.00 0.00 C ATOM 222 O SER A 17 7.957 10.680 -1.143 1.00 0.00 O ATOM 223 CB SER A 17 10.536 12.494 -0.828 1.00 0.00 C ATOM 224 OG SER A 17 11.607 12.004 -0.037 1.00 0.00 O ATOM 0 H SER A 17 9.886 11.735 -3.928 1.00 0.00 H new ATOM 0 HA SER A 17 11.048 10.997 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.836 13.422 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.686 12.730 -0.187 1.00 0.00 H new ATOM 0 HG SER A 17 11.857 12.678 0.629 1.00 0.00 H new ATOM 230 N CYS A 18 9.664 9.207 -1.221 1.00 0.00 N ATOM 231 CA CYS A 18 8.916 7.996 -1.033 1.00 0.00 C ATOM 232 C CYS A 18 9.618 7.177 0.021 1.00 0.00 C ATOM 233 O CYS A 18 10.847 7.148 0.013 1.00 0.00 O ATOM 234 CB CYS A 18 8.941 7.260 -2.359 1.00 0.00 C ATOM 235 SG CYS A 18 8.132 8.042 -3.772 1.00 0.00 S ATOM 0 H CYS A 18 10.670 9.043 -1.258 1.00 0.00 H new ATOM 0 HA CYS A 18 7.889 8.185 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.983 7.084 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.482 6.283 -2.208 1.00 0.00 H new ATOM 240 N ASP A 19 8.918 6.511 0.940 1.00 0.00 N ATOM 241 CA ASP A 19 9.632 5.765 1.947 1.00 0.00 C ATOM 242 C ASP A 19 10.037 4.402 1.408 1.00 0.00 C ATOM 243 O ASP A 19 9.302 3.422 1.455 1.00 0.00 O ATOM 244 CB ASP A 19 8.930 5.794 3.291 1.00 0.00 C ATOM 245 CG ASP A 19 7.684 4.962 3.455 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.784 5.011 2.598 1.00 0.00 O ATOM 247 OD2 ASP A 19 7.561 4.369 4.546 1.00 0.00 O ATOM 0 H ASP A 19 7.900 6.478 1.000 1.00 0.00 H new ATOM 0 HA ASP A 19 10.578 6.257 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.646 5.476 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.672 6.830 3.511 1.00 0.00 H new ATOM 252 N TRP A 20 11.284 4.330 0.959 1.00 0.00 N ATOM 253 CA TRP A 20 11.947 3.161 0.413 1.00 0.00 C ATOM 254 C TRP A 20 12.469 2.315 1.572 1.00 0.00 C ATOM 255 O TRP A 20 13.642 1.943 1.675 1.00 0.00 O ATOM 256 CB TRP A 20 13.032 3.557 -0.597 1.00 0.00 C ATOM 257 CG TRP A 20 12.616 4.258 -1.860 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.528 5.596 -2.030 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.312 3.680 -3.168 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.172 5.882 -3.329 1.00 0.00 N ATOM 261 CE2 TRP A 20 12.012 4.738 -4.076 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.263 2.366 -3.680 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.641 4.508 -5.408 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.907 2.123 -5.020 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.568 3.187 -5.874 1.00 0.00 C ATOM 0 H TRP A 20 11.897 5.145 0.969 1.00 0.00 H new ATOM 0 HA TRP A 20 11.242 2.554 -0.155 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.746 4.199 -0.081 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.566 2.651 -0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.710 6.332 -1.261 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.043 6.826 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.502 1.534 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.415 5.335 -6.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.894 1.110 -5.395 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.252 2.988 -6.887 1.00 0.00 H new ATOM 276 N LYS A 21 11.534 2.023 2.463 1.00 0.00 N ATOM 277 CA LYS A 21 11.550 0.939 3.413 1.00 0.00 C ATOM 278 C LYS A 21 11.008 -0.269 2.651 1.00 0.00 C ATOM 279 O LYS A 21 10.289 -0.104 1.663 1.00 0.00 O ATOM 280 CB LYS A 21 10.627 1.311 4.582 1.00 0.00 C ATOM 281 CG LYS A 21 11.468 1.739 5.784 1.00 0.00 C ATOM 282 CD LYS A 21 12.099 0.511 6.450 1.00 0.00 C ATOM 283 CE LYS A 21 13.115 0.954 7.509 1.00 0.00 C ATOM 284 NZ LYS A 21 14.492 1.004 6.973 1.00 0.00 N ATOM 0 H LYS A 21 10.685 2.583 2.540 1.00 0.00 H new ATOM 0 HA LYS A 21 12.540 0.731 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.958 2.120 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.000 0.460 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.248 2.430 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.845 2.272 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.324 -0.101 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.590 -0.108 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.838 1.938 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.080 0.266 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.146 1.308 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.768 0.060 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.533 1.679 6.183 1.00 0.00 H new ATOM 298 N GLN A 22 11.351 -1.475 3.097 1.00 0.00 N ATOM 299 CA GLN A 22 10.659 -2.670 2.656 1.00 0.00 C ATOM 300 C GLN A 22 9.411 -2.790 3.518 1.00 0.00 C ATOM 301 O GLN A 22 9.443 -2.458 4.705 1.00 0.00 O ATOM 302 CB GLN A 22 11.559 -3.884 2.835 1.00 0.00 C ATOM 303 CG GLN A 22 10.960 -5.160 2.236 1.00 0.00 C ATOM 304 CD GLN A 22 10.542 -6.114 3.347 1.00 0.00 C ATOM 305 OE1 GLN A 22 9.529 -5.896 3.998 1.00 0.00 O ATOM 306 NE2 GLN A 22 11.317 -7.152 3.610 1.00 0.00 N ATOM 0 H GLN A 22 12.105 -1.644 3.763 1.00 0.00 H new ATOM 0 HA GLN A 22 10.394 -2.614 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.524 -3.687 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.745 -4.039 3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.098 -4.911 1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.690 -5.643 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.157 -7.315 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.075 -7.790 4.368 1.00 0.00 H new ATOM 315 N ASN A 23 8.329 -3.264 2.918 1.00 0.00 N ATOM 316 CA ASN A 23 6.986 -3.158 3.479 1.00 0.00 C ATOM 317 C ASN A 23 6.204 -4.424 3.158 1.00 0.00 C ATOM 318 O ASN A 23 5.042 -4.354 2.767 1.00 0.00 O ATOM 319 CB ASN A 23 6.250 -1.927 2.908 1.00 0.00 C ATOM 320 CG ASN A 23 7.134 -0.692 2.813 1.00 0.00 C ATOM 321 OD1 ASN A 23 7.568 -0.136 3.822 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.458 -0.282 1.593 1.00 0.00 N ATOM 0 H ASN A 23 8.357 -3.740 2.016 1.00 0.00 H new ATOM 0 HA ASN A 23 7.065 -3.038 4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.866 -2.168 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.389 -1.702 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.083 0.515 1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.082 -0.764 0.776 1.00 0.00 H new ATOM 329 N TRP A 24 6.835 -5.592 3.255 1.00 0.00 N ATOM 330 CA TRP A 24 6.296 -6.843 2.785 1.00 0.00 C ATOM 331 C TRP A 24 6.310 -7.819 3.958 1.00 0.00 C ATOM 332 O TRP A 24 7.332 -7.971 4.622 1.00 0.00 O ATOM 333 CB TRP A 24 7.190 -7.312 1.636 1.00 0.00 C ATOM 334 CG TRP A 24 7.180 -8.782 1.443 1.00 0.00 C ATOM 335 CD1 TRP A 24 8.029 -9.639 2.038 1.00 0.00 C ATOM 336 CD2 TRP A 24 6.164 -9.591 0.813 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.630 -10.935 1.768 1.00 0.00 N ATOM 338 CE2 TRP A 24 6.477 -10.963 1.010 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.959 -9.288 0.166 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.647 -11.986 0.527 1.00 0.00 C ATOM 341 CZ3 TRP A 24 4.125 -10.296 -0.327 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.474 -11.646 -0.175 1.00 0.00 C ATOM 0 H TRP A 24 7.760 -5.685 3.676 1.00 0.00 H new ATOM 0 HA TRP A 24 5.272 -6.760 2.421 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.866 -6.830 0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.213 -6.985 1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.886 -9.359 2.632 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.126 -11.767 2.089 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.668 -8.255 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.904 -13.022 0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.205 -10.033 -0.829 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.847 -12.420 -0.593 1.00 0.00 H new ATOM 353 N ASN A 25 5.183 -8.483 4.209 1.00 0.00 N ATOM 354 CA ASN A 25 4.992 -9.327 5.382 1.00 0.00 C ATOM 355 C ASN A 25 5.366 -8.562 6.644 1.00 0.00 C ATOM 356 O ASN A 25 6.213 -8.989 7.428 1.00 0.00 O ATOM 357 CB ASN A 25 5.761 -10.648 5.277 1.00 0.00 C ATOM 358 CG ASN A 25 5.227 -11.646 6.301 1.00 0.00 C ATOM 359 OD1 ASN A 25 4.272 -12.365 6.024 1.00 0.00 O ATOM 360 ND2 ASN A 25 5.791 -11.701 7.504 1.00 0.00 N ATOM 0 H ASN A 25 4.369 -8.448 3.595 1.00 0.00 H new ATOM 0 HA ASN A 25 3.936 -9.591 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.661 -11.057 4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.824 -10.474 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.430 -12.346 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.584 -11.099 7.723 1.00 0.00 H new ATOM 367 N THR A 26 4.736 -7.410 6.836 1.00 0.00 N ATOM 368 CA THR A 26 4.888 -6.639 8.049 1.00 0.00 C ATOM 369 C THR A 26 3.720 -5.666 8.192 1.00 0.00 C ATOM 370 O THR A 26 3.148 -5.217 7.201 1.00 0.00 O ATOM 371 CB THR A 26 6.284 -5.998 8.137 1.00 0.00 C ATOM 372 OG1 THR A 26 6.340 -5.082 9.212 1.00 0.00 O ATOM 373 CG2 THR A 26 6.798 -5.358 6.838 1.00 0.00 C ATOM 0 H THR A 26 4.107 -6.990 6.152 1.00 0.00 H new ATOM 0 HA THR A 26 4.841 -7.296 8.918 1.00 0.00 H new ATOM 0 HB THR A 26 6.967 -6.828 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.234 -4.684 9.256 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.788 -4.936 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.856 -6.116 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.115 -4.568 6.527 1.00 0.00 H new ATOM 381 N CYS A 27 3.341 -5.423 9.443 1.00 0.00 N ATOM 382 CA CYS A 27 2.227 -4.629 9.915 1.00 0.00 C ATOM 383 C CYS A 27 2.632 -3.157 9.850 1.00 0.00 C ATOM 384 O CYS A 27 2.960 -2.544 10.867 1.00 0.00 O ATOM 385 CB CYS A 27 1.948 -5.074 11.356 1.00 0.00 C ATOM 386 SG CYS A 27 0.482 -4.405 12.166 1.00 0.00 S ATOM 0 H CYS A 27 3.863 -5.820 10.224 1.00 0.00 H new ATOM 0 HA CYS A 27 1.328 -4.760 9.313 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.869 -6.161 11.363 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.816 -4.813 11.962 1.00 0.00 H new ATOM 391 N VAL A 28 2.723 -2.607 8.642 1.00 0.00 N ATOM 392 CA VAL A 28 3.296 -1.286 8.429 1.00 0.00 C ATOM 393 C VAL A 28 2.226 -0.225 8.668 1.00 0.00 C ATOM 394 O VAL A 28 1.070 -0.408 8.290 1.00 0.00 O ATOM 395 CB VAL A 28 3.929 -1.208 7.032 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.309 0.226 6.648 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.199 -2.064 7.019 1.00 0.00 C ATOM 0 H VAL A 28 2.402 -3.064 7.788 1.00 0.00 H new ATOM 0 HA VAL A 28 4.098 -1.096 9.142 1.00 0.00 H new ATOM 0 HB VAL A 28 3.194 -1.569 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.753 0.231 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.417 0.852 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.028 0.617 7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.659 -2.018 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.900 -1.687 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.943 -3.098 7.252 1.00 0.00 H new ATOM 407 N GLY A 29 2.606 0.869 9.325 1.00 0.00 N ATOM 408 CA GLY A 29 1.733 1.992 9.584 1.00 0.00 C ATOM 409 C GLY A 29 1.542 2.816 8.315 1.00 0.00 C ATOM 410 O GLY A 29 2.500 3.052 7.580 1.00 0.00 O ATOM 0 H GLY A 29 3.548 0.994 9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.768 1.636 9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.156 2.616 10.371 1.00 0.00 H new ATOM 414 N ILE A 30 0.315 3.271 8.078 1.00 0.00 N ATOM 415 CA ILE A 30 -0.034 4.264 7.075 1.00 0.00 C ATOM 416 C ILE A 30 -0.140 5.611 7.789 1.00 0.00 C ATOM 417 O ILE A 30 -0.165 5.668 9.022 1.00 0.00 O ATOM 418 CB ILE A 30 -1.356 3.875 6.383 1.00 0.00 C ATOM 419 CG1 ILE A 30 -1.277 2.491 5.723 1.00 0.00 C ATOM 420 CG2 ILE A 30 -1.789 4.910 5.332 1.00 0.00 C ATOM 421 CD1 ILE A 30 -0.251 2.445 4.594 1.00 0.00 C ATOM 0 H ILE A 30 -0.495 2.942 8.603 1.00 0.00 H new ATOM 0 HA ILE A 30 0.724 4.323 6.294 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.104 3.846 7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.019 1.746 6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.258 2.221 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.725 4.592 4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.931 5.878 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.019 4.994 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.233 1.446 4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.522 3.170 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.736 2.687 4.989 1.00 0.00 H new ATOM 433 N GLY A 31 -0.172 6.694 7.022 1.00 0.00 N ATOM 434 CA GLY A 31 -0.309 8.033 7.541 1.00 0.00 C ATOM 435 C GLY A 31 1.064 8.659 7.668 1.00 0.00 C ATOM 436 O GLY A 31 2.082 7.980 7.518 1.00 0.00 O ATOM 0 H GLY A 31 -0.102 6.657 6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.935 8.631 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.803 8.011 8.512 1.00 0.00 H new ATOM 440 N ALA A 32 1.050 9.956 7.938 1.00 0.00 N ATOM 441 CA ALA A 32 2.192 10.832 8.036 1.00 0.00 C ATOM 442 C ALA A 32 3.021 10.850 6.772 1.00 0.00 C ATOM 443 O ALA A 32 3.835 9.966 6.524 1.00 0.00 O ATOM 444 CB ALA A 32 3.028 10.535 9.279 1.00 0.00 C ATOM 0 H ALA A 32 0.175 10.452 8.105 1.00 0.00 H new ATOM 0 HA ALA A 32 1.802 11.843 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.879 11.216 9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.415 10.670 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.388 9.507 9.238 1.00 0.00 H new ATOM 450 N ASN A 33 2.818 11.905 5.984 1.00 0.00 N ATOM 451 CA ASN A 33 3.643 12.244 4.841 1.00 0.00 C ATOM 452 C ASN A 33 3.596 11.180 3.749 1.00 0.00 C ATOM 453 O ASN A 33 4.397 11.236 2.821 1.00 0.00 O ATOM 454 CB ASN A 33 5.069 12.626 5.288 1.00 0.00 C ATOM 455 CG ASN A 33 6.029 11.468 5.569 1.00 0.00 C ATOM 456 OD1 ASN A 33 6.463 11.291 6.706 1.00 0.00 O ATOM 457 ND2 ASN A 33 6.461 10.729 4.560 1.00 0.00 N ATOM 0 H ASN A 33 2.052 12.562 6.133 1.00 0.00 H new ATOM 0 HA ASN A 33 3.221 13.132 4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.511 13.256 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.993 13.233 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.160 10.004 4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.095 10.884 3.621 1.00 0.00 H new ATOM 464 N VAL A 34 2.682 10.214 3.846 1.00 0.00 N ATOM 465 CA VAL A 34 2.584 9.111 2.890 1.00 0.00 C ATOM 466 C VAL A 34 1.116 8.876 2.531 1.00 0.00 C ATOM 467 O VAL A 34 0.334 8.495 3.404 1.00 0.00 O ATOM 468 CB VAL A 34 3.234 7.859 3.519 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.543 6.545 3.129 1.00 0.00 C ATOM 470 CG2 VAL A 34 4.715 7.787 3.129 1.00 0.00 C ATOM 0 H VAL A 34 1.987 10.175 4.592 1.00 0.00 H new ATOM 0 HA VAL A 34 3.112 9.346 1.966 1.00 0.00 H new ATOM 0 HB VAL A 34 3.122 7.968 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.054 5.709 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.503 6.570 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.581 6.421 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.166 6.901 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.803 7.731 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.230 8.678 3.489 1.00 0.00 H new ATOM 480 N HIS A 35 0.709 9.133 1.286 1.00 0.00 N ATOM 481 CA HIS A 35 -0.642 8.803 0.833 1.00 0.00 C ATOM 482 C HIS A 35 -0.720 8.400 -0.639 1.00 0.00 C ATOM 483 O HIS A 35 -1.799 8.429 -1.231 1.00 0.00 O ATOM 484 CB HIS A 35 -1.624 9.918 1.210 1.00 0.00 C ATOM 485 CG HIS A 35 -1.136 11.317 0.921 1.00 0.00 C ATOM 486 ND1 HIS A 35 -1.694 12.201 0.030 1.00 0.00 N ATOM 487 CD2 HIS A 35 -0.176 11.999 1.625 1.00 0.00 C ATOM 488 CE1 HIS A 35 -1.072 13.380 0.189 1.00 0.00 C ATOM 489 NE2 HIS A 35 -0.129 13.307 1.142 1.00 0.00 N ATOM 0 H HIS A 35 1.296 9.568 0.575 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.945 7.902 1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.559 9.756 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.850 9.840 2.273 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.437 11.593 2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.300 14.271 -0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.494 14.054 1.450 1.00 0.00 H new ATOM 497 N TRP A 36 0.392 8.029 -1.262 1.00 0.00 N ATOM 498 CA TRP A 36 0.372 7.556 -2.635 1.00 0.00 C ATOM 499 C TRP A 36 1.304 6.372 -2.734 1.00 0.00 C ATOM 500 O TRP A 36 2.503 6.518 -2.554 1.00 0.00 O ATOM 501 CB TRP A 36 0.834 8.665 -3.561 1.00 0.00 C ATOM 502 CG TRP A 36 -0.136 9.788 -3.721 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.443 10.725 -2.797 1.00 0.00 C ATOM 504 CD2 TRP A 36 -0.984 10.064 -4.867 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.428 11.553 -3.289 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.783 11.207 -4.577 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.169 9.440 -6.116 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.702 11.724 -5.500 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.081 9.957 -7.055 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.823 11.114 -6.760 1.00 0.00 C ATOM 0 H TRP A 36 1.318 8.048 -0.835 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.637 7.262 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.775 9.066 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.040 8.238 -4.543 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.014 10.812 -1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.843 12.325 -2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.603 8.552 -6.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.309 12.580 -5.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.211 9.463 -8.006 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.486 11.534 -7.502 1.00 0.00 H new ATOM 521 N MET A 37 0.754 5.204 -3.002 1.00 0.00 N ATOM 522 CA MET A 37 1.541 4.014 -3.231 1.00 0.00 C ATOM 523 C MET A 37 1.931 4.005 -4.698 1.00 0.00 C ATOM 524 O MET A 37 1.063 4.097 -5.561 1.00 0.00 O ATOM 525 CB MET A 37 0.758 2.774 -2.827 1.00 0.00 C ATOM 526 CG MET A 37 1.680 1.558 -2.727 1.00 0.00 C ATOM 527 SD MET A 37 0.819 0.027 -2.322 1.00 0.00 S ATOM 528 CE MET A 37 -0.032 -0.261 -3.876 1.00 0.00 C ATOM 0 H MET A 37 -0.253 5.056 -3.067 1.00 0.00 H new ATOM 0 HA MET A 37 2.444 4.011 -2.621 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.268 2.944 -1.868 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.028 2.581 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.203 1.431 -3.675 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.438 1.750 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.428 -1.277 -3.891 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.852 0.450 -3.979 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.666 -0.131 -4.703 1.00 0.00 H new ATOM 538 N VAL A 38 3.220 3.916 -4.989 1.00 0.00 N ATOM 539 CA VAL A 38 3.717 3.916 -6.349 1.00 0.00 C ATOM 540 C VAL A 38 4.520 2.629 -6.481 1.00 0.00 C ATOM 541 O VAL A 38 5.660 2.547 -6.033 1.00 0.00 O ATOM 542 CB VAL A 38 4.490 5.218 -6.631 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.710 5.369 -8.137 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.705 6.457 -6.167 1.00 0.00 C ATOM 0 H VAL A 38 3.951 3.842 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 38 2.937 3.916 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 38 5.433 5.154 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.257 6.291 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.284 4.520 -8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.746 5.404 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.283 7.356 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.752 6.503 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.523 6.392 -5.094 1.00 0.00 H new ATOM 554 N THR A 39 3.883 1.573 -6.985 1.00 0.00 N ATOM 555 CA THR A 39 4.489 0.254 -6.997 1.00 0.00 C ATOM 556 C THR A 39 5.173 0.068 -8.342 1.00 0.00 C ATOM 557 O THR A 39 4.559 0.267 -9.395 1.00 0.00 O ATOM 558 CB THR A 39 3.464 -0.841 -6.653 1.00 0.00 C ATOM 559 OG1 THR A 39 4.080 -2.113 -6.556 1.00 0.00 O ATOM 560 CG2 THR A 39 2.321 -0.952 -7.661 1.00 0.00 C ATOM 0 H THR A 39 2.947 1.611 -7.389 1.00 0.00 H new ATOM 0 HA THR A 39 5.246 0.165 -6.217 1.00 0.00 H new ATOM 0 HB THR A 39 3.048 -0.536 -5.693 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.035 -2.000 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.639 -1.744 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.782 -0.006 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.726 -1.185 -8.646 1.00 0.00 H new ATOM 568 N GLY A 40 6.449 -0.305 -8.295 1.00 0.00 N ATOM 569 CA GLY A 40 7.177 -0.749 -9.466 1.00 0.00 C ATOM 570 C GLY A 40 6.642 -2.071 -9.933 1.00 0.00 C ATOM 571 O GLY A 40 6.132 -2.294 -11.019 1.00 0.00 O ATOM 0 H GLY A 40 7.003 -0.306 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.087 -0.010 -10.262 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.238 -0.839 -9.232 1.00 0.00 H new ATOM 626 N LYS A 46 1.402 -9.245 -12.486 1.00 0.00 N ATOM 627 CA LYS A 46 0.315 -9.245 -11.538 1.00 0.00 C ATOM 628 C LYS A 46 0.358 -7.983 -10.685 1.00 0.00 C ATOM 629 O LYS A 46 1.413 -7.572 -10.207 1.00 0.00 O ATOM 630 CB LYS A 46 0.270 -10.519 -10.692 1.00 0.00 C ATOM 631 CG LYS A 46 1.642 -10.867 -10.126 1.00 0.00 C ATOM 632 CD LYS A 46 1.519 -11.935 -9.032 1.00 0.00 C ATOM 633 CE LYS A 46 1.339 -11.321 -7.634 1.00 0.00 C ATOM 634 NZ LYS A 46 2.615 -10.929 -7.005 1.00 0.00 N ATOM 0 HA LYS A 46 -0.617 -9.239 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.439 -10.388 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.094 -11.347 -11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.290 -11.229 -10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.110 -9.972 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.671 -12.583 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.410 -12.563 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.694 -10.446 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.829 -12.039 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.429 -10.522 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.224 -11.766 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.093 -10.222 -7.600 1.00 0.00 H new ATOM 648 N GLN A 47 -0.814 -7.393 -10.489 1.00 0.00 N ATOM 649 CA GLN A 47 -1.057 -6.388 -9.474 1.00 0.00 C ATOM 650 C GLN A 47 -0.416 -6.801 -8.143 1.00 0.00 C ATOM 651 O GLN A 47 -0.449 -7.975 -7.766 1.00 0.00 O ATOM 652 CB GLN A 47 -2.583 -6.211 -9.331 1.00 0.00 C ATOM 653 CG GLN A 47 -3.313 -7.546 -9.060 1.00 0.00 C ATOM 654 CD GLN A 47 -4.833 -7.423 -9.094 1.00 0.00 C ATOM 655 OE1 GLN A 47 -5.422 -7.016 -10.094 1.00 0.00 O ATOM 656 NE2 GLN A 47 -5.510 -7.787 -8.018 1.00 0.00 N ATOM 0 H GLN A 47 -1.640 -7.609 -11.048 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.606 -5.439 -9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.790 -5.516 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.980 -5.762 -10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.999 -8.280 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.008 -7.927 -8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.014 -8.123 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.528 -7.731 -8.013 1.00 0.00 H new ATOM 665 N GLY A 48 0.106 -5.823 -7.413 1.00 0.00 N ATOM 666 CA GLY A 48 0.572 -6.011 -6.051 1.00 0.00 C ATOM 667 C GLY A 48 -0.583 -5.639 -5.144 1.00 0.00 C ATOM 668 O GLY A 48 -1.348 -4.738 -5.493 1.00 0.00 O ATOM 0 H GLY A 48 0.217 -4.869 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.878 -7.044 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.441 -5.385 -5.849 1.00 0.00 H new ATOM 672 N CYS A 49 -0.773 -6.320 -4.015 1.00 0.00 N ATOM 673 CA CYS A 49 -1.942 -6.078 -3.197 1.00 0.00 C ATOM 674 C CYS A 49 -1.549 -6.079 -1.749 1.00 0.00 C ATOM 675 O CYS A 49 -0.604 -6.760 -1.350 1.00 0.00 O ATOM 676 CB CYS A 49 -2.971 -7.186 -3.370 1.00 0.00 C ATOM 677 SG CYS A 49 -3.727 -7.461 -4.981 1.00 0.00 S ATOM 0 H CYS A 49 -0.137 -7.033 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.363 -5.120 -3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.497 -8.120 -3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.777 -6.995 -2.661 1.00 0.00 H new ATOM 682 N ALA A 50 -2.320 -5.339 -0.967 1.00 0.00 N ATOM 683 CA ALA A 50 -2.156 -5.242 0.463 1.00 0.00 C ATOM 684 C ALA A 50 -3.512 -5.223 1.132 1.00 0.00 C ATOM 685 O ALA A 50 -4.443 -4.565 0.665 1.00 0.00 O ATOM 686 CB ALA A 50 -1.356 -3.985 0.812 1.00 0.00 C ATOM 0 H ALA A 50 -3.094 -4.778 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.604 -6.109 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.236 -3.919 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.375 -4.036 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.887 -3.104 0.451 1.00 0.00 H new ATOM 692 N THR A 51 -3.597 -5.914 2.259 1.00 0.00 N ATOM 693 CA THR A 51 -4.742 -5.805 3.132 1.00 0.00 C ATOM 694 C THR A 51 -4.463 -4.575 3.991 1.00 0.00 C ATOM 695 O THR A 51 -3.320 -4.365 4.403 1.00 0.00 O ATOM 696 CB THR A 51 -4.891 -7.108 3.925 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.930 -8.187 3.007 1.00 0.00 O ATOM 698 CG2 THR A 51 -6.180 -7.138 4.749 1.00 0.00 C ATOM 0 H THR A 51 -2.878 -6.559 2.587 1.00 0.00 H new ATOM 0 HA THR A 51 -5.694 -5.675 2.617 1.00 0.00 H new ATOM 0 HB THR A 51 -4.046 -7.184 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.023 -9.030 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.242 -8.080 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.179 -6.309 5.457 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.039 -7.046 4.084 1.00 0.00 H new ATOM 706 N ILE A 52 -5.465 -3.718 4.170 1.00 0.00 N ATOM 707 CA ILE A 52 -5.325 -2.410 4.794 1.00 0.00 C ATOM 708 C ILE A 52 -6.287 -2.366 5.987 1.00 0.00 C ATOM 709 O ILE A 52 -7.297 -3.073 5.956 1.00 0.00 O ATOM 710 CB ILE A 52 -5.639 -1.325 3.742 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.739 -1.493 2.500 1.00 0.00 C ATOM 712 CG2 ILE A 52 -5.545 0.087 4.331 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.466 -0.208 1.709 1.00 0.00 C ATOM 0 H ILE A 52 -6.420 -3.922 3.877 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.313 -2.228 5.156 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.673 -1.458 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.785 -1.914 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.202 -2.220 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.773 0.820 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.259 0.188 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.536 0.258 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.825 -0.434 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.409 0.207 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.970 0.518 2.354 1.00 0.00 H new ATOM 725 N TRP A 53 -5.993 -1.569 7.021 1.00 0.00 N ATOM 726 CA TRP A 53 -6.736 -1.525 8.278 1.00 0.00 C ATOM 727 C TRP A 53 -6.927 -0.112 8.840 1.00 0.00 C ATOM 728 O TRP A 53 -6.085 0.767 8.627 1.00 0.00 O ATOM 729 CB TRP A 53 -5.999 -2.355 9.324 1.00 0.00 C ATOM 730 CG TRP A 53 -6.063 -3.835 9.132 1.00 0.00 C ATOM 731 CD1 TRP A 53 -7.045 -4.648 9.579 1.00 0.00 C ATOM 732 CD2 TRP A 53 -5.121 -4.695 8.435 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.791 -5.942 9.175 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.597 -6.036 8.491 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.905 -4.470 7.763 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.897 -7.105 7.911 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.180 -5.537 7.208 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.667 -6.852 7.286 1.00 0.00 C ATOM 0 H TRP A 53 -5.207 -0.919 7.002 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.727 -1.922 8.059 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.952 -2.052 9.331 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.407 -2.116 10.306 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.897 -4.333 10.163 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.410 -6.732 9.359 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.524 -3.463 7.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.299 -8.107 7.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.238 -5.344 6.716 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.096 -7.667 6.866 1.00 0.00 H new ATOM 749 N GLU A 54 -8.013 0.047 9.609 1.00 0.00 N ATOM 750 CA GLU A 54 -8.312 1.187 10.463 1.00 0.00 C ATOM 751 C GLU A 54 -7.581 1.014 11.793 1.00 0.00 C ATOM 752 O GLU A 54 -7.077 1.965 12.372 1.00 0.00 O ATOM 753 CB GLU A 54 -9.829 1.220 10.705 1.00 0.00 C ATOM 754 CG GLU A 54 -10.326 2.368 11.604 1.00 0.00 C ATOM 755 CD GLU A 54 -10.300 3.733 10.934 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.045 3.849 9.937 1.00 0.00 O ATOM 757 OE2 GLU A 54 -9.592 4.628 11.449 1.00 0.00 O ATOM 0 H GLU A 54 -8.744 -0.663 9.648 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.990 2.117 9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.333 1.291 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.130 0.273 11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.345 2.151 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.711 2.404 12.503 1.00 0.00 H new ATOM 764 N GLY A 55 -7.519 -0.193 12.346 1.00 0.00 N ATOM 765 CA GLY A 55 -6.776 -0.346 13.584 1.00 0.00 C ATOM 766 C GLY A 55 -5.319 0.016 13.335 1.00 0.00 C ATOM 767 O GLY A 55 -4.669 -0.526 12.439 1.00 0.00 O ATOM 0 H GLY A 55 -7.952 -1.039 11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.197 0.296 14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.853 -1.372 13.945 1.00 0.00 H new ATOM 771 N SER A 56 -4.822 0.952 14.135 1.00 0.00 N ATOM 772 CA SER A 56 -3.420 1.321 14.150 1.00 0.00 C ATOM 773 C SER A 56 -2.681 0.106 14.713 1.00 0.00 C ATOM 774 O SER A 56 -2.838 -0.194 15.893 1.00 0.00 O ATOM 775 CB SER A 56 -3.230 2.581 15.008 1.00 0.00 C ATOM 776 OG SER A 56 -4.134 3.600 14.591 1.00 0.00 O ATOM 0 H SER A 56 -5.391 1.479 14.797 1.00 0.00 H new ATOM 0 HA SER A 56 -3.032 1.568 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.398 2.343 16.058 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.204 2.937 14.922 1.00 0.00 H new ATOM 0 HG SER A 56 -4.416 4.126 15.369 1.00 0.00 H new ATOM 782 N GLY A 57 -1.963 -0.625 13.865 1.00 0.00 N ATOM 783 CA GLY A 57 -1.379 -1.911 14.147 1.00 0.00 C ATOM 784 C GLY A 57 -2.199 -3.056 13.548 1.00 0.00 C ATOM 785 O GLY A 57 -2.349 -4.101 14.169 1.00 0.00 O ATOM 0 H GLY A 57 -1.769 -0.310 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.365 -1.944 13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.302 -2.046 15.226 1.00 0.00 H new ATOM 789 N CYS A 58 -2.671 -2.877 12.310 1.00 0.00 N ATOM 790 CA CYS A 58 -3.237 -3.909 11.436 1.00 0.00 C ATOM 791 C CYS A 58 -4.236 -4.850 12.119 1.00 0.00 C ATOM 792 O CYS A 58 -4.205 -6.067 11.925 1.00 0.00 O ATOM 793 CB CYS A 58 -2.163 -4.673 10.641 1.00 0.00 C ATOM 794 SG CYS A 58 -1.048 -5.719 11.595 1.00 0.00 S ATOM 0 H CYS A 58 -2.668 -1.958 11.867 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.832 -3.350 10.713 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.665 -5.296 9.901 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.563 -3.947 10.092 1.00 0.00 H new ATOM 799 N VAL A 59 -5.168 -4.266 12.868 1.00 0.00 N ATOM 800 CA VAL A 59 -6.377 -4.865 13.395 1.00 0.00 C ATOM 801 C VAL A 59 -7.562 -3.989 12.965 1.00 0.00 C ATOM 802 O VAL A 59 -7.361 -2.953 12.339 1.00 0.00 O ATOM 803 CB VAL A 59 -6.241 -5.004 14.917 1.00 0.00 C ATOM 804 CG1 VAL A 59 -5.254 -6.126 15.266 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.831 -3.715 15.642 1.00 0.00 C ATOM 0 H VAL A 59 -5.085 -3.286 13.139 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.547 -5.868 13.004 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.242 -5.247 15.273 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.169 -6.212 16.349 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.615 -7.069 14.855 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.277 -5.896 14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.759 -3.907 16.713 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.864 -3.379 15.268 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.578 -2.942 15.461 1.00 0.00 H new ATOM 815 N GLY A 60 -8.798 -4.371 13.272 1.00 0.00 N ATOM 816 CA GLY A 60 -9.937 -3.466 13.129 1.00 0.00 C ATOM 817 C GLY A 60 -10.630 -3.616 11.780 1.00 0.00 C ATOM 818 O GLY A 60 -10.528 -4.664 11.146 1.00 0.00 O ATOM 0 H GLY A 60 -9.038 -5.299 13.621 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.654 -3.659 13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.598 -2.437 13.248 1.00 0.00 H new ATOM 822 N ARG A 61 -11.357 -2.578 11.352 1.00 0.00 N ATOM 823 CA ARG A 61 -12.035 -2.610 10.064 1.00 0.00 C ATOM 824 C ARG A 61 -10.961 -2.543 9.010 1.00 0.00 C ATOM 825 O ARG A 61 -9.886 -2.004 9.271 1.00 0.00 O ATOM 826 CB ARG A 61 -13.060 -1.481 9.895 1.00 0.00 C ATOM 827 CG ARG A 61 -14.289 -2.004 9.132 1.00 0.00 C ATOM 828 CD ARG A 61 -15.044 -0.855 8.457 1.00 0.00 C ATOM 829 NE ARG A 61 -16.482 -1.129 8.306 1.00 0.00 N ATOM 830 CZ ARG A 61 -17.109 -2.066 7.572 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.421 -2.884 6.777 1.00 0.00 N ATOM 832 NH2 ARG A 61 -18.435 -2.154 7.668 1.00 0.00 N ATOM 0 H ARG A 61 -11.487 -1.714 11.879 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.618 -3.527 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.361 -1.101 10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.612 -0.648 9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.974 -2.728 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.954 -2.527 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.912 0.055 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.609 -0.668 7.475 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.097 -0.515 8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.406 -2.804 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.909 -3.590 6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.945 -1.522 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.940 -2.854 7.125 1.00 0.00 H new ATOM 846 N SER A 62 -11.233 -3.134 7.856 1.00 0.00 N ATOM 847 CA SER A 62 -10.192 -3.387 6.900 1.00 0.00 C ATOM 848 C SER A 62 -10.675 -3.164 5.482 1.00 0.00 C ATOM 849 O SER A 62 -11.861 -2.961 5.252 1.00 0.00 O ATOM 850 CB SER A 62 -9.661 -4.802 7.134 1.00 0.00 C ATOM 851 OG SER A 62 -10.735 -5.703 7.340 1.00 0.00 O ATOM 0 H SER A 62 -12.163 -3.442 7.570 1.00 0.00 H new ATOM 0 HA SER A 62 -9.374 -2.680 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.069 -5.122 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.999 -4.811 8.000 1.00 0.00 H new ATOM 0 HG SER A 62 -10.382 -6.605 7.487 1.00 0.00 H new ATOM 857 N THR A 63 -9.764 -3.220 4.525 1.00 0.00 N ATOM 858 CA THR A 63 -10.117 -3.465 3.141 1.00 0.00 C ATOM 859 C THR A 63 -9.002 -4.318 2.544 1.00 0.00 C ATOM 860 O THR A 63 -8.092 -4.748 3.262 1.00 0.00 O ATOM 861 CB THR A 63 -10.398 -2.148 2.392 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.860 -2.417 1.084 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.176 -1.233 2.306 1.00 0.00 C ATOM 0 H THR A 63 -8.764 -3.097 4.686 1.00 0.00 H new ATOM 0 HA THR A 63 -11.054 -4.014 3.049 1.00 0.00 H new ATOM 0 HB THR A 63 -11.161 -1.627 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.037 -1.572 0.619 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.440 -0.323 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.843 -0.976 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.373 -1.747 1.778 1.00 0.00 H new ATOM 871 N THR A 64 -9.088 -4.577 1.249 1.00 0.00 N ATOM 872 CA THR A 64 -8.038 -5.164 0.450 1.00 0.00 C ATOM 873 C THR A 64 -7.886 -4.216 -0.730 1.00 0.00 C ATOM 874 O THR A 64 -8.871 -3.872 -1.388 1.00 0.00 O ATOM 875 CB THR A 64 -8.373 -6.615 0.085 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.369 -7.173 -0.739 1.00 0.00 O ATOM 877 CG2 THR A 64 -9.741 -6.751 -0.581 1.00 0.00 C ATOM 0 H THR A 64 -9.929 -4.373 0.709 1.00 0.00 H new ATOM 0 HA THR A 64 -7.084 -5.258 0.969 1.00 0.00 H new ATOM 0 HB THR A 64 -8.413 -7.170 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.603 -8.099 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.928 -7.798 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.514 -6.390 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.759 -6.162 -1.498 1.00 0.00 H new ATOM 885 N MET A 65 -6.679 -3.699 -0.902 1.00 0.00 N ATOM 886 CA MET A 65 -6.363 -2.651 -1.851 1.00 0.00 C ATOM 887 C MET A 65 -5.290 -3.196 -2.789 1.00 0.00 C ATOM 888 O MET A 65 -4.193 -3.535 -2.335 1.00 0.00 O ATOM 889 CB MET A 65 -5.866 -1.433 -1.063 1.00 0.00 C ATOM 890 CG MET A 65 -6.043 -0.134 -1.852 1.00 0.00 C ATOM 891 SD MET A 65 -7.684 0.613 -1.702 1.00 0.00 S ATOM 892 CE MET A 65 -7.464 2.029 -2.795 1.00 0.00 C ATOM 0 H MET A 65 -5.869 -4.010 -0.366 1.00 0.00 H new ATOM 0 HA MET A 65 -7.226 -2.346 -2.442 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.410 -1.363 -0.121 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.813 -1.566 -0.814 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.297 0.586 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.842 -0.332 -2.905 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.385 2.611 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.652 2.654 -2.422 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.222 1.680 -3.799 1.00 0.00 H new ATOM 902 N CYS A 66 -5.583 -3.280 -4.083 1.00 0.00 N ATOM 903 CA CYS A 66 -4.662 -3.813 -5.080 1.00 0.00 C ATOM 904 C CYS A 66 -4.263 -2.685 -6.010 1.00 0.00 C ATOM 905 O CYS A 66 -5.042 -1.762 -6.239 1.00 0.00 O ATOM 906 CB CYS A 66 -5.301 -4.955 -5.865 1.00 0.00 C ATOM 907 SG CYS A 66 -5.574 -6.484 -4.947 1.00 0.00 S ATOM 0 H CYS A 66 -6.476 -2.977 -4.472 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.781 -4.218 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.259 -4.611 -6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.669 -5.178 -6.725 1.00 0.00 H new ATOM 912 N CYS A 67 -3.033 -2.714 -6.507 1.00 0.00 N ATOM 913 CA CYS A 67 -2.476 -1.696 -7.381 1.00 0.00 C ATOM 914 C CYS A 67 -1.685 -2.392 -8.489 1.00 0.00 C ATOM 915 O CYS A 67 -0.806 -3.194 -8.169 1.00 0.00 O ATOM 916 CB CYS A 67 -1.542 -0.821 -6.559 1.00 0.00 C ATOM 917 SG CYS A 67 -0.868 0.573 -7.476 1.00 0.00 S ATOM 0 H CYS A 67 -2.378 -3.470 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.264 -1.084 -7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.081 -0.446 -5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.720 -1.432 -6.186 1.00 0.00 H new ATOM 922 N PRO A 68 -2.017 -2.177 -9.770 1.00 0.00 N ATOM 923 CA PRO A 68 -1.276 -2.741 -10.889 1.00 0.00 C ATOM 924 C PRO A 68 0.228 -2.488 -10.777 1.00 0.00 C ATOM 925 O PRO A 68 0.645 -1.462 -10.243 1.00 0.00 O ATOM 926 CB PRO A 68 -1.862 -2.087 -12.141 1.00 0.00 C ATOM 927 CG PRO A 68 -3.300 -1.815 -11.723 1.00 0.00 C ATOM 928 CD PRO A 68 -3.190 -1.463 -10.243 1.00 0.00 C ATOM 0 HA PRO A 68 -1.377 -3.826 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.335 -1.170 -12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.808 -2.746 -13.007 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.735 -0.997 -12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.934 -2.688 -11.880 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.081 -0.388 -10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.083 -1.768 -9.698 1.00 0.00 H new ATOM 936 N ALA A 69 1.044 -3.382 -11.341 1.00 0.00 N ATOM 937 CA ALA A 69 2.491 -3.227 -11.290 1.00 0.00 C ATOM 938 C ALA A 69 2.855 -2.093 -12.251 1.00 0.00 C ATOM 939 O ALA A 69 2.213 -1.919 -13.289 1.00 0.00 O ATOM 940 CB ALA A 69 3.195 -4.544 -11.662 1.00 0.00 C ATOM 0 H ALA A 69 0.725 -4.215 -11.835 1.00 0.00 H new ATOM 0 HA ALA A 69 2.824 -2.980 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.275 -4.404 -11.617 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.901 -5.325 -10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.909 -4.837 -12.672 1.00 0.00 H new ATOM 946 N ASN A 70 3.851 -1.294 -11.886 1.00 0.00 N ATOM 947 CA ASN A 70 4.281 -0.094 -12.581 1.00 0.00 C ATOM 948 C ASN A 70 3.093 0.836 -12.746 1.00 0.00 C ATOM 949 O ASN A 70 2.698 1.160 -13.866 1.00 0.00 O ATOM 950 CB ASN A 70 4.991 -0.409 -13.907 1.00 0.00 C ATOM 951 CG ASN A 70 6.422 -0.858 -13.654 1.00 0.00 C ATOM 952 OD1 ASN A 70 7.258 -0.068 -13.218 1.00 0.00 O ATOM 953 ND2 ASN A 70 6.745 -2.112 -13.922 1.00 0.00 N ATOM 0 H ASN A 70 4.408 -1.479 -11.052 1.00 0.00 H new ATOM 0 HA ASN A 70 5.033 0.417 -11.980 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.448 -1.189 -14.440 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.989 0.474 -14.546 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.699 -2.437 -13.768 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.040 -2.754 -14.283 1.00 0.00 H new ATOM 960 N THR A 71 2.522 1.277 -11.628 1.00 0.00 N ATOM 961 CA THR A 71 1.448 2.256 -11.627 1.00 0.00 C ATOM 962 C THR A 71 1.447 3.007 -10.289 1.00 0.00 C ATOM 963 O THR A 71 2.008 2.534 -9.296 1.00 0.00 O ATOM 964 CB THR A 71 0.120 1.578 -12.034 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.344 2.112 -13.260 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.001 1.698 -11.006 1.00 0.00 C ATOM 0 H THR A 71 2.795 0.962 -10.697 1.00 0.00 H new ATOM 0 HA THR A 71 1.598 3.029 -12.381 1.00 0.00 H new ATOM 0 HB THR A 71 0.361 0.518 -12.118 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.185 1.675 -13.510 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.892 1.193 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.687 1.236 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.226 2.751 -10.834 1.00 0.00 H new ATOM 974 N CYS A 72 0.864 4.208 -10.302 1.00 0.00 N ATOM 975 CA CYS A 72 0.752 5.138 -9.186 1.00 0.00 C ATOM 976 C CYS A 72 -0.690 5.137 -8.682 1.00 0.00 C ATOM 977 O CYS A 72 -1.606 5.373 -9.467 1.00 0.00 O ATOM 978 CB CYS A 72 1.121 6.541 -9.670 1.00 0.00 C ATOM 979 SG CYS A 72 0.415 7.846 -8.663 1.00 0.00 S ATOM 0 H CYS A 72 0.431 4.576 -11.149 1.00 0.00 H new ATOM 0 HA CYS A 72 1.422 4.840 -8.380 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.206 6.642 -9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.784 6.663 -10.699 1.00 0.00 H new ATOM 984 N CYS A 73 -0.892 4.869 -7.393 1.00 0.00 N ATOM 985 CA CYS A 73 -2.182 4.591 -6.775 1.00 0.00 C ATOM 986 C CYS A 73 -2.341 5.487 -5.548 1.00 0.00 C ATOM 987 O CYS A 73 -1.603 5.351 -4.574 1.00 0.00 O ATOM 988 CB CYS A 73 -2.233 3.113 -6.358 1.00 0.00 C ATOM 989 SG CYS A 73 -2.441 1.940 -7.722 1.00 0.00 S ATOM 0 H CYS A 73 -0.124 4.839 -6.723 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.991 4.791 -7.478 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.313 2.869 -5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.054 2.978 -5.654 1.00 0.00 H new ATOM 994 N ASN A 74 -3.291 6.421 -5.578 1.00 0.00 N ATOM 995 CA ASN A 74 -3.579 7.289 -4.437 1.00 0.00 C ATOM 996 C ASN A 74 -4.251 6.488 -3.328 1.00 0.00 C ATOM 997 O ASN A 74 -5.258 5.830 -3.577 1.00 0.00 O ATOM 998 CB ASN A 74 -4.536 8.402 -4.854 1.00 0.00 C ATOM 999 CG ASN A 74 -4.986 9.282 -3.691 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.174 9.565 -3.564 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.074 9.729 -2.836 1.00 0.00 N ATOM 0 H ASN A 74 -3.881 6.597 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.637 7.710 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.051 9.025 -5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.413 7.959 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.355 10.320 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.093 9.481 -2.961 1.00 0.00 H new ATOM 1008 N ILE A 75 -3.726 6.544 -2.111 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.324 5.936 -0.945 1.00 0.00 C ATOM 1010 C ILE A 75 -5.334 6.913 -0.349 1.00 0.00 C ATOM 1011 O ILE A 75 -4.960 7.943 0.205 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.188 5.545 0.015 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.689 4.143 -0.316 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.585 5.514 1.486 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.236 3.971 -1.756 1.00 0.00 C ATOM 0 H ILE A 75 -2.851 7.027 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.877 5.027 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.431 6.317 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.859 3.898 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.484 3.427 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.723 5.229 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.930 6.502 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.386 4.789 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.896 2.947 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.069 4.182 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.418 4.660 -1.965 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.617 6.564 -0.439 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.686 7.138 0.367 1.00 0.00 C ATOM 1029 C ASN A 76 -8.871 6.188 0.237 1.00 0.00 C ATOM 1030 O ASN A 76 -9.567 6.197 -0.781 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.038 8.576 -0.066 1.00 0.00 C ATOM 1032 CG ASN A 76 -7.324 9.652 0.761 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -6.969 9.444 1.921 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -7.118 10.834 0.196 1.00 0.00 N ATOM 0 H ASN A 76 -6.947 5.855 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.378 7.234 1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.780 8.705 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.115 8.719 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.662 11.579 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.415 10.998 -0.766 1.00 0.00 H new ATOM 1041 N THR A 77 -9.066 5.311 1.225 1.00 0.00 N ATOM 1042 CA THR A 77 -10.163 4.358 1.216 1.00 0.00 C ATOM 1043 C THR A 77 -11.455 5.125 1.533 1.00 0.00 C ATOM 1044 O THR A 77 -11.521 6.348 1.380 1.00 0.00 O ATOM 1045 CB THR A 77 -9.864 3.230 2.219 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.743 3.790 3.506 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.568 2.494 1.865 1.00 0.00 C ATOM 0 H THR A 77 -8.467 5.247 2.048 1.00 0.00 H new ATOM 0 HA THR A 77 -10.284 3.883 0.243 1.00 0.00 H new ATOM 0 HB THR A 77 -10.681 2.510 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.337 3.317 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.387 1.704 2.594 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.658 2.057 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.735 3.197 1.878 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.488 4.443 2.021 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.648 5.118 2.569 1.00 0.00 C ATOM 1057 C GLY A 78 -13.405 5.626 3.990 1.00 0.00 C ATOM 1058 O GLY A 78 -14.319 6.206 4.573 1.00 0.00 O ATOM 0 H GLY A 78 -12.540 3.425 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.915 5.957 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.497 4.434 2.570 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.232 5.376 4.572 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.915 5.690 5.944 1.00 0.00 C ATOM 1064 C PHE A 79 -10.490 6.196 6.016 1.00 0.00 C ATOM 1065 O PHE A 79 -9.782 6.219 5.009 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.110 4.430 6.789 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.441 3.166 6.266 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.081 2.368 5.299 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.233 2.726 6.835 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -11.510 1.149 4.895 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -9.659 1.511 6.430 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.302 0.715 5.468 1.00 0.00 C ATOM 0 H PHE A 79 -11.458 4.934 4.075 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.570 6.470 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.734 4.628 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.179 4.240 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.015 2.694 4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.744 3.326 7.588 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.999 0.546 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.722 1.188 6.859 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.869 -0.228 5.169 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.085 6.640 7.202 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.734 7.094 7.380 1.00 0.00 C ATOM 1084 C TYR A 80 -7.860 5.856 7.549 1.00 0.00 C ATOM 1085 O TYR A 80 -8.189 4.948 8.302 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.657 8.024 8.586 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.243 8.453 8.906 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.542 9.304 8.033 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.556 7.787 9.932 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.149 9.450 8.166 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.175 7.969 10.093 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.463 8.736 9.161 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.112 8.842 9.271 1.00 0.00 O ATOM 0 H TYR A 80 -10.672 6.690 8.035 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.384 7.666 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.266 8.908 8.397 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.085 7.522 9.454 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.072 9.844 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.093 7.131 10.601 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.609 10.110 7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.663 7.520 10.931 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.799 8.283 10.012 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.738 5.810 6.851 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.959 4.595 6.718 1.00 0.00 C ATOM 1105 C ILE A 81 -4.851 4.600 7.761 1.00 0.00 C ATOM 1106 O ILE A 81 -4.174 5.614 7.925 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.409 4.429 5.300 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.115 5.783 4.637 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.365 3.566 4.469 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.328 6.353 3.897 1.00 0.00 C ATOM 0 H ILE A 81 -6.344 6.614 6.362 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.605 3.735 6.894 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.451 3.912 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.792 6.493 5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.288 5.668 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.968 3.451 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.466 2.585 4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.342 4.047 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.063 7.310 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.637 5.659 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.149 6.497 4.600 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.671 3.484 8.468 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.805 3.432 9.638 1.00 0.00 C ATOM 1124 C ARG A 82 -2.759 2.336 9.556 1.00 0.00 C ATOM 1125 O ARG A 82 -1.639 2.564 10.007 1.00 0.00 O ATOM 1126 CB ARG A 82 -4.673 3.292 10.886 1.00 0.00 C ATOM 1127 CG ARG A 82 -5.142 4.685 11.298 1.00 0.00 C ATOM 1128 CD ARG A 82 -6.322 4.634 12.272 1.00 0.00 C ATOM 1129 NE ARG A 82 -6.731 5.950 12.756 1.00 0.00 N ATOM 1130 CZ ARG A 82 -5.961 6.756 13.496 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -4.827 6.287 14.033 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -6.328 8.027 13.683 1.00 0.00 N ATOM 0 H ARG A 82 -5.121 2.596 8.244 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.239 4.362 9.686 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.528 2.647 10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.107 2.827 11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.314 5.223 11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.431 5.247 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.169 4.156 11.780 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.054 4.009 13.124 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.666 6.276 12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.552 5.317 13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.238 6.900 14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.189 8.376 13.263 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.747 8.648 14.246 1.00 0.00 H new ATOM 1146 N SER A 83 -3.071 1.173 8.985 1.00 0.00 N ATOM 1147 CA SER A 83 -2.029 0.186 8.723 1.00 0.00 C ATOM 1148 C SER A 83 -2.269 -0.520 7.398 1.00 0.00 C ATOM 1149 O SER A 83 -3.395 -0.517 6.902 1.00 0.00 O ATOM 1150 CB SER A 83 -1.944 -0.844 9.850 1.00 0.00 C ATOM 1151 OG SER A 83 -2.296 -0.300 11.111 1.00 0.00 O ATOM 0 H SER A 83 -4.011 0.897 8.702 1.00 0.00 H new ATOM 0 HA SER A 83 -1.081 0.722 8.671 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.603 -1.682 9.623 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.930 -1.241 9.899 1.00 0.00 H new ATOM 0 HG SER A 83 -3.256 -0.424 11.264 1.00 0.00 H new ATOM 1157 N TYR A 84 -1.244 -1.183 6.869 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.393 -2.140 5.791 1.00 0.00 C ATOM 1159 C TYR A 84 -0.314 -3.209 5.850 1.00 0.00 C ATOM 1160 O TYR A 84 0.644 -3.094 6.617 1.00 0.00 O ATOM 1161 CB TYR A 84 -1.469 -1.463 4.415 1.00 0.00 C ATOM 1162 CG TYR A 84 -0.183 -1.082 3.703 1.00 0.00 C ATOM 1163 CD1 TYR A 84 0.985 -0.715 4.399 1.00 0.00 C ATOM 1164 CD2 TYR A 84 -0.193 -1.030 2.296 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.142 -0.359 3.685 1.00 0.00 C ATOM 1166 CE2 TYR A 84 0.966 -0.682 1.589 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.126 -0.312 2.282 1.00 0.00 C ATOM 1168 OH TYR A 84 3.269 -0.086 1.585 1.00 0.00 O ATOM 0 H TYR A 84 -0.281 -1.066 7.183 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.351 -2.640 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.026 -2.127 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.062 -0.556 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.992 -0.707 5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.101 -1.260 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.050 -0.120 4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.965 -0.699 0.509 1.00 0.00 H new ATOM 0 HH TYR A 84 3.705 -0.941 1.386 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.496 -4.250 5.044 1.00 0.00 N ATOM 1179 CA ARG A 85 0.498 -5.290 4.836 1.00 0.00 C ATOM 1180 C ARG A 85 0.235 -5.976 3.492 1.00 0.00 C ATOM 1181 O ARG A 85 -0.881 -6.448 3.262 1.00 0.00 O ATOM 1182 CB ARG A 85 0.436 -6.273 6.013 1.00 0.00 C ATOM 1183 CG ARG A 85 1.382 -7.465 5.869 1.00 0.00 C ATOM 1184 CD ARG A 85 0.512 -8.695 5.626 1.00 0.00 C ATOM 1185 NE ARG A 85 1.265 -9.773 5.001 1.00 0.00 N ATOM 1186 CZ ARG A 85 0.862 -11.048 4.927 1.00 0.00 C ATOM 1187 NH1 ARG A 85 -0.266 -11.435 5.519 1.00 0.00 N ATOM 1188 NH2 ARG A 85 1.593 -11.920 4.250 1.00 0.00 N ATOM 0 H ARG A 85 -1.353 -4.394 4.510 1.00 0.00 H new ATOM 0 HA ARG A 85 1.504 -4.871 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.675 -5.740 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.585 -6.641 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.073 -7.311 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.985 -7.590 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.099 -9.041 6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.331 -8.424 4.991 1.00 0.00 H new ATOM 0 HE ARG A 85 2.168 -9.539 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.830 -10.759 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.566 -12.408 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.453 -11.618 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.296 -12.894 4.187 1.00 0.00 H new ATOM 1202 N ARG A 86 1.245 -6.041 2.616 1.00 0.00 N ATOM 1203 CA ARG A 86 1.145 -6.747 1.345 1.00 0.00 C ATOM 1204 C ARG A 86 0.731 -8.193 1.563 1.00 0.00 C ATOM 1205 O ARG A 86 1.252 -8.843 2.470 1.00 0.00 O ATOM 1206 CB ARG A 86 2.468 -6.780 0.571 1.00 0.00 C ATOM 1207 CG ARG A 86 2.643 -5.625 -0.412 1.00 0.00 C ATOM 1208 CD ARG A 86 3.900 -5.848 -1.270 1.00 0.00 C ATOM 1209 NE ARG A 86 3.757 -6.981 -2.213 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.770 -7.763 -2.627 1.00 0.00 C ATOM 1211 NH1 ARG A 86 6.033 -7.488 -2.292 1.00 0.00 N ATOM 1212 NH2 ARG A 86 4.538 -8.862 -3.334 1.00 0.00 N ATOM 0 H ARG A 86 2.153 -5.603 2.774 1.00 0.00 H new ATOM 0 HA ARG A 86 0.402 -6.196 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.294 -6.766 1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.534 -7.721 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.765 -5.546 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.726 -4.684 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.117 -4.939 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.753 -6.031 -0.616 1.00 0.00 H new ATOM 0 HE ARG A 86 2.825 -7.183 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.242 -6.674 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.789 -8.092 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.581 -9.124 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.317 -9.445 -3.641 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.108 -8.709 0.670 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.322 -10.136 0.525 1.00 0.00 C ATOM 1228 C VAL A 87 0.549 -10.664 -0.614 1.00 0.00 C ATOM 1229 O VAL A 87 1.181 -11.704 -0.445 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.814 -10.472 0.366 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.578 -10.062 1.632 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.467 -9.829 -0.861 1.00 0.00 C ATOM 0 H VAL A 87 -0.659 -8.142 0.026 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.014 -10.647 1.437 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.869 -11.550 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.634 -10.303 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.177 -10.602 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.466 -8.990 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.519 -10.113 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.387 -8.744 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.961 -10.172 -1.764 1.00 0.00 H new ATOM 1242 N GLU A 88 0.616 -9.961 -1.750 1.00 0.00 N ATOM 1243 CA GLU A 88 1.348 -10.389 -2.930 1.00 0.00 C ATOM 1244 C GLU A 88 1.473 -9.197 -3.886 1.00 0.00 C ATOM 1245 CB GLU A 88 0.669 -11.612 -3.577 1.00 0.00 C ATOM 1246 CG GLU A 88 1.670 -12.771 -3.695 1.00 0.00 C ATOM 1247 CD GLU A 88 0.995 -14.063 -4.084 1.00 0.00 C ATOM 1248 OE1 GLU A 88 0.326 -14.650 -3.208 1.00 0.00 O ATOM 1249 OE2 GLU A 88 1.221 -14.521 -5.222 1.00 0.00 O ATOM 0 H GLU A 88 0.151 -9.061 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 88 2.353 -10.713 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.188 -11.921 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.289 -11.347 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.429 -12.521 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.185 -12.903 -2.744 1.00 0.00 H new