USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 660 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 89 TYR OH : rot 180:sc= -1.7! USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 SER OG : rot 138:sc= 1.1 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -148:sc= 1.02 (180deg=0.447) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -8.65! C(o=-8.7!,f=-21!) USER MOD Single : A 11 THR OG1 : rot -143:sc= -0.0143 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0316 (180deg=-0.294) USER MOD Single : A 17 ASN : amide:sc= -2.9! K(o=-2.9!,f=-1.8) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0.935 (180deg=-0.00946!) USER MOD Single : A 42 ASN : amide:sc= 0.16 K(o=0.16,f=-5.1!) USER MOD Single : A 43 THR OG1 : rot 35:sc= -2.24! USER MOD Single : A 47 ASN : amide:sc= -8.32! C(o=-8.3!,f=-19!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.21 K(o=-0.21,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= -4.72 K(o=-4.7,f=-1.5) USER MOD Single : A 62 THR OG1 : rot -88:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.98! K(o=-2!,f=-0.21) USER MOD Single : A 67 ASN : amide:sc= -0.235 K(o=-0.24,f=-3.7!) USER MOD Single : A 70 SER OG : rot 130:sc= -0.274 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 1.19 (180deg=-0.349) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0452) USER MOD Single : A 85 THR OG1 : rot 4:sc= -1.02! USER MOD Single : A 87 ASN : amide:sc= -4.18! K(o=-4.2!,f=-2.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 98 SER OG : rot -62:sc= 0.244 USER MOD Single : A 99 SER OG : rot -80:sc= 0.216 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 14.938 -5.969 2.014 1.00 0.00 N ATOM 27 CA ASP A 3 13.765 -6.347 2.800 1.00 0.00 C ATOM 28 C ASP A 3 12.894 -5.134 3.093 1.00 0.00 C ATOM 29 O ASP A 3 13.309 -4.188 3.750 1.00 0.00 O ATOM 30 CB ASP A 3 14.169 -7.037 4.101 1.00 0.00 C ATOM 31 CG ASP A 3 15.328 -6.361 4.805 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.095 -5.422 5.587 1.00 0.00 O ATOM 33 OD2 ASP A 3 16.477 -6.794 4.589 1.00 0.00 O ATOM 0 HA ASP A 3 13.186 -7.054 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.311 -7.062 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.437 -8.072 3.887 1.00 0.00 H new ATOM 38 N PRO A 4 11.673 -5.165 2.549 1.00 0.00 N ATOM 39 CA PRO A 4 10.734 -4.030 2.501 1.00 0.00 C ATOM 40 C PRO A 4 10.524 -3.204 3.799 1.00 0.00 C ATOM 41 O PRO A 4 9.950 -2.121 3.729 1.00 0.00 O ATOM 42 CB PRO A 4 9.413 -4.671 2.077 1.00 0.00 C ATOM 43 CG PRO A 4 9.656 -6.138 1.974 1.00 0.00 C ATOM 44 CD PRO A 4 11.122 -6.340 1.856 1.00 0.00 C ATOM 0 HA PRO A 4 11.147 -3.280 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.630 -4.460 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.077 -4.267 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.267 -6.654 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.141 -6.552 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.440 -7.271 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.442 -6.381 0.815 1.00 0.00 H new ATOM 52 N LYS A 5 10.983 -3.673 4.959 1.00 0.00 N ATOM 53 CA LYS A 5 10.711 -2.967 6.231 1.00 0.00 C ATOM 54 C LYS A 5 11.574 -1.721 6.451 1.00 0.00 C ATOM 55 O LYS A 5 11.616 -1.183 7.557 1.00 0.00 O ATOM 56 CB LYS A 5 10.847 -3.902 7.435 1.00 0.00 C ATOM 57 CG LYS A 5 12.037 -4.848 7.372 1.00 0.00 C ATOM 58 CD LYS A 5 13.347 -4.161 7.708 1.00 0.00 C ATOM 59 CE LYS A 5 13.491 -3.915 9.200 1.00 0.00 C ATOM 60 NZ LYS A 5 14.878 -3.515 9.550 1.00 0.00 N ATOM 0 H LYS A 5 11.537 -4.524 5.055 1.00 0.00 H new ATOM 0 HA LYS A 5 9.679 -2.628 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.927 -3.299 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.935 -4.492 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.876 -5.674 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.102 -5.278 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.178 -4.774 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.406 -3.211 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.796 -3.135 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.222 -4.818 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.945 -3.354 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.537 -4.271 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.125 -2.640 9.046 1.00 0.00 H new ATOM 74 N HIS A 6 12.253 -1.258 5.417 1.00 0.00 N ATOM 75 CA HIS A 6 13.106 -0.071 5.524 1.00 0.00 C ATOM 76 C HIS A 6 12.284 1.219 5.508 1.00 0.00 C ATOM 77 O HIS A 6 12.817 2.292 5.235 1.00 0.00 O ATOM 78 CB HIS A 6 14.151 -0.038 4.406 1.00 0.00 C ATOM 79 CG HIS A 6 13.613 -0.461 3.096 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.393 -1.771 2.766 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.210 0.264 2.050 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.862 -1.831 1.567 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.742 -0.612 1.104 1.00 0.00 N ATOM 0 H HIS A 6 12.235 -1.681 4.489 1.00 0.00 H new ATOM 0 HA HIS A 6 13.620 -0.136 6.483 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.549 0.973 4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 6 14.984 -0.687 4.676 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.608 -2.573 3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.246 1.340 1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.573 -2.734 1.050 1.00 0.00 H new ATOM 92 N VAL A 7 10.986 1.078 5.793 1.00 0.00 N ATOM 93 CA VAL A 7 10.053 2.193 5.992 1.00 0.00 C ATOM 94 C VAL A 7 10.192 3.305 4.936 1.00 0.00 C ATOM 95 O VAL A 7 10.434 3.023 3.763 1.00 0.00 O ATOM 96 CB VAL A 7 10.154 2.753 7.438 1.00 0.00 C ATOM 97 CG1 VAL A 7 9.871 1.631 8.434 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.507 3.398 7.727 1.00 0.00 C ATOM 0 H VAL A 7 10.544 0.164 5.894 1.00 0.00 H new ATOM 0 HA VAL A 7 9.052 1.785 5.854 1.00 0.00 H new ATOM 0 HB VAL A 7 9.409 3.541 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.941 2.020 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.869 1.238 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.601 0.833 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.521 3.771 8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.297 2.658 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.670 4.226 7.037 1.00 0.00 H new ATOM 108 N CYS A 8 9.978 4.552 5.339 1.00 0.00 N ATOM 109 CA CYS A 8 9.906 5.658 4.399 1.00 0.00 C ATOM 110 C CYS A 8 10.096 7.007 5.055 1.00 0.00 C ATOM 111 O CYS A 8 9.858 7.183 6.252 1.00 0.00 O ATOM 112 CB CYS A 8 8.531 5.657 3.766 1.00 0.00 C ATOM 113 SG CYS A 8 8.096 7.186 2.867 1.00 0.00 S ATOM 0 H CYS A 8 9.851 4.820 6.315 1.00 0.00 H new ATOM 0 HA CYS A 8 10.708 5.515 3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.466 4.816 3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.788 5.488 4.546 1.00 0.00 H new ATOM 118 N VAL A 9 10.522 7.942 4.227 1.00 0.00 N ATOM 119 CA VAL A 9 10.399 9.356 4.482 1.00 0.00 C ATOM 120 C VAL A 9 10.184 10.006 3.126 1.00 0.00 C ATOM 121 O VAL A 9 11.118 10.182 2.354 1.00 0.00 O ATOM 122 CB VAL A 9 11.688 9.897 5.117 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.711 9.654 6.618 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.875 9.221 4.459 1.00 0.00 C ATOM 0 H VAL A 9 10.974 7.729 3.338 1.00 0.00 H new ATOM 0 HA VAL A 9 9.579 9.566 5.169 1.00 0.00 H new ATOM 0 HB VAL A 9 11.735 10.975 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.637 10.049 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.861 10.155 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.652 8.583 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.798 9.596 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.811 8.144 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.870 9.437 3.391 1.00 0.00 H new ATOM 134 N ASP A 10 8.950 10.327 2.830 1.00 0.00 N ATOM 135 CA ASP A 10 8.596 10.863 1.530 1.00 0.00 C ATOM 136 C ASP A 10 7.751 12.117 1.680 1.00 0.00 C ATOM 137 O ASP A 10 7.363 12.442 2.796 1.00 0.00 O ATOM 138 CB ASP A 10 7.880 9.773 0.718 1.00 0.00 C ATOM 139 CG ASP A 10 7.303 10.245 -0.611 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.044 10.859 -1.410 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.103 10.013 -0.862 1.00 0.00 O ATOM 0 H ASP A 10 8.165 10.227 3.474 1.00 0.00 H new ATOM 0 HA ASP A 10 9.496 11.157 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.582 8.962 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.073 9.360 1.323 1.00 0.00 H new ATOM 146 N THR A 11 7.559 12.825 0.565 1.00 0.00 N ATOM 147 CA THR A 11 6.480 13.789 0.350 1.00 0.00 C ATOM 148 C THR A 11 6.057 14.627 1.569 1.00 0.00 C ATOM 149 O THR A 11 5.597 14.125 2.593 1.00 0.00 O ATOM 150 CB THR A 11 5.283 13.025 -0.219 1.00 0.00 C ATOM 151 OG1 THR A 11 5.541 12.655 -1.577 1.00 0.00 O ATOM 152 CG2 THR A 11 4.003 13.822 -0.131 1.00 0.00 C ATOM 0 H THR A 11 8.175 12.739 -0.243 1.00 0.00 H new ATOM 0 HA THR A 11 6.869 14.537 -0.341 1.00 0.00 H new ATOM 0 HB THR A 11 5.148 12.128 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.714 12.725 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.182 13.238 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.790 14.055 0.912 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.112 14.749 -0.695 1.00 0.00 H new ATOM 160 N ARG A 12 6.120 15.932 1.375 1.00 0.00 N ATOM 161 CA ARG A 12 5.894 16.900 2.439 1.00 0.00 C ATOM 162 C ARG A 12 4.466 16.814 2.960 1.00 0.00 C ATOM 163 O ARG A 12 4.218 16.949 4.158 1.00 0.00 O ATOM 164 CB ARG A 12 6.178 18.301 1.916 1.00 0.00 C ATOM 165 CG ARG A 12 7.348 18.348 0.947 1.00 0.00 C ATOM 166 CD ARG A 12 8.581 17.700 1.551 1.00 0.00 C ATOM 167 NE ARG A 12 9.513 17.215 0.540 1.00 0.00 N ATOM 168 CZ ARG A 12 10.712 16.720 0.828 1.00 0.00 C ATOM 169 NH1 ARG A 12 11.180 16.796 2.069 1.00 0.00 N ATOM 170 NH2 ARG A 12 11.456 16.178 -0.125 1.00 0.00 N ATOM 0 H ARG A 12 6.330 16.355 0.471 1.00 0.00 H new ATOM 0 HA ARG A 12 6.567 16.675 3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.287 18.685 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.384 18.962 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.080 17.837 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.568 19.383 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.089 18.421 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.275 16.869 2.186 1.00 0.00 H new ATOM 0 HE ARG A 12 9.230 17.258 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.619 17.234 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.100 16.416 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.109 16.140 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.376 15.799 0.100 1.00 0.00 H new ATOM 184 N ASP A 13 3.535 16.585 2.050 1.00 0.00 N ATOM 185 CA ASP A 13 2.134 16.438 2.421 1.00 0.00 C ATOM 186 C ASP A 13 1.545 15.173 1.806 1.00 0.00 C ATOM 187 O ASP A 13 0.855 15.219 0.785 1.00 0.00 O ATOM 188 CB ASP A 13 1.330 17.674 1.994 1.00 0.00 C ATOM 189 CG ASP A 13 -0.132 17.595 2.397 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.420 17.428 3.600 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.004 17.721 1.511 1.00 0.00 O ATOM 0 H ASP A 13 3.721 16.497 1.051 1.00 0.00 H new ATOM 0 HA ASP A 13 2.074 16.349 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.777 18.563 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.398 17.790 0.912 1.00 0.00 H new ATOM 196 N ILE A 14 1.857 14.036 2.418 1.00 0.00 N ATOM 197 CA ILE A 14 1.264 12.767 2.020 1.00 0.00 C ATOM 198 C ILE A 14 -0.200 12.763 2.413 1.00 0.00 C ATOM 199 O ILE A 14 -0.561 13.224 3.500 1.00 0.00 O ATOM 200 CB ILE A 14 1.998 11.568 2.669 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.413 11.484 2.125 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.271 10.252 2.403 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.436 11.113 3.160 1.00 0.00 C ATOM 0 H ILE A 14 2.518 13.968 3.192 1.00 0.00 H new ATOM 0 HA ILE A 14 1.360 12.660 0.940 1.00 0.00 H new ATOM 0 HB ILE A 14 2.019 11.730 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.440 10.750 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.683 12.446 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.816 9.434 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.264 10.303 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.214 10.079 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.423 11.072 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.438 11.860 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.191 10.137 3.580 1.00 0.00 H new ATOM 215 N PRO A 15 -1.060 12.275 1.513 1.00 0.00 N ATOM 216 CA PRO A 15 -2.508 12.295 1.698 1.00 0.00 C ATOM 217 C PRO A 15 -2.963 11.612 2.973 1.00 0.00 C ATOM 218 O PRO A 15 -2.300 10.707 3.488 1.00 0.00 O ATOM 219 CB PRO A 15 -3.004 11.503 0.493 1.00 0.00 C ATOM 220 CG PRO A 15 -1.972 11.735 -0.532 1.00 0.00 C ATOM 221 CD PRO A 15 -0.696 11.646 0.229 1.00 0.00 C ATOM 0 HA PRO A 15 -2.888 13.314 1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.105 10.443 0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.982 11.851 0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.019 10.988 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.089 12.710 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.369 10.614 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.115 12.177 -0.270 1.00 0.00 H new ATOM 229 N LYS A 16 -4.095 12.059 3.484 1.00 0.00 N ATOM 230 CA LYS A 16 -4.783 11.338 4.517 1.00 0.00 C ATOM 231 C LYS A 16 -5.163 9.978 3.955 1.00 0.00 C ATOM 232 O LYS A 16 -5.409 9.861 2.756 1.00 0.00 O ATOM 233 CB LYS A 16 -6.023 12.121 4.947 1.00 0.00 C ATOM 234 CG LYS A 16 -6.806 11.471 6.065 1.00 0.00 C ATOM 235 CD LYS A 16 -5.988 11.356 7.339 1.00 0.00 C ATOM 236 CE LYS A 16 -6.777 10.676 8.448 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.042 11.395 8.755 1.00 0.00 N ATOM 0 H LYS A 16 -4.552 12.923 3.193 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.150 11.208 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.718 13.118 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.678 12.246 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.706 12.053 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.130 10.479 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.078 10.790 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.680 12.349 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.005 9.651 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.164 10.621 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.437 11.037 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.850 12.413 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.726 11.238 7.987 1.00 0.00 H new ATOM 251 N ASN A 17 -5.184 8.957 4.806 1.00 0.00 N ATOM 252 CA ASN A 17 -5.509 7.584 4.383 1.00 0.00 C ATOM 253 C ASN A 17 -4.415 7.036 3.466 1.00 0.00 C ATOM 254 O ASN A 17 -4.565 5.987 2.844 1.00 0.00 O ATOM 255 CB ASN A 17 -6.856 7.512 3.644 1.00 0.00 C ATOM 256 CG ASN A 17 -7.955 8.309 4.306 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.691 7.809 5.151 1.00 0.00 O ATOM 258 ND2 ASN A 17 -8.050 9.561 3.917 1.00 0.00 N ATOM 0 H ASN A 17 -4.979 9.048 5.801 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.578 6.982 5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.721 7.873 2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.167 6.470 3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.762 10.168 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.411 9.925 3.210 1.00 0.00 H new ATOM 265 N ALA A 18 -3.324 7.770 3.372 1.00 0.00 N ATOM 266 CA ALA A 18 -2.199 7.377 2.545 1.00 0.00 C ATOM 267 C ALA A 18 -0.959 7.157 3.385 1.00 0.00 C ATOM 268 O ALA A 18 -0.746 7.816 4.402 1.00 0.00 O ATOM 269 CB ALA A 18 -1.910 8.413 1.471 1.00 0.00 C ATOM 0 H ALA A 18 -3.192 8.653 3.865 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.470 6.440 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.061 8.087 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.785 8.528 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.676 9.368 1.941 1.00 0.00 H new ATOM 275 N GLY A 19 -0.163 6.209 2.956 1.00 0.00 N ATOM 276 CA GLY A 19 1.107 5.961 3.580 1.00 0.00 C ATOM 277 C GLY A 19 2.223 6.082 2.582 1.00 0.00 C ATOM 278 O GLY A 19 2.018 5.868 1.387 1.00 0.00 O ATOM 0 H GLY A 19 -0.377 5.594 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.262 6.669 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.113 4.964 4.020 1.00 0.00 H new ATOM 282 N CYS A 20 3.402 6.413 3.056 1.00 0.00 N ATOM 283 CA CYS A 20 4.514 6.676 2.176 1.00 0.00 C ATOM 284 C CYS A 20 5.522 5.553 2.263 1.00 0.00 C ATOM 285 O CYS A 20 5.629 4.875 3.287 1.00 0.00 O ATOM 286 CB CYS A 20 5.185 7.998 2.527 1.00 0.00 C ATOM 287 SG CYS A 20 6.450 7.883 3.840 1.00 0.00 S ATOM 0 H CYS A 20 3.615 6.506 4.049 1.00 0.00 H new ATOM 0 HA CYS A 20 4.132 6.741 1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.649 8.405 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.419 8.708 2.840 1.00 0.00 H new ATOM 292 N PHE A 21 6.219 5.330 1.173 1.00 0.00 N ATOM 293 CA PHE A 21 7.309 4.379 1.151 1.00 0.00 C ATOM 294 C PHE A 21 8.574 4.967 0.549 1.00 0.00 C ATOM 295 O PHE A 21 8.528 5.720 -0.411 1.00 0.00 O ATOM 296 CB PHE A 21 6.933 3.128 0.400 1.00 0.00 C ATOM 297 CG PHE A 21 8.109 2.267 0.122 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.783 1.734 1.171 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.542 1.997 -1.161 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.872 0.940 0.983 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.639 1.197 -1.362 1.00 0.00 C ATOM 302 CZ PHE A 21 10.303 0.667 -0.270 1.00 0.00 C ATOM 0 H PHE A 21 6.049 5.798 0.283 1.00 0.00 H new ATOM 0 HA PHE A 21 7.511 4.126 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.201 2.565 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.454 3.401 -0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.449 1.944 2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.017 2.416 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.393 0.527 1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.981 0.983 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.166 0.035 -0.418 1.00 0.00 H new ATOM 312 N ARG A 22 9.702 4.627 1.149 1.00 0.00 N ATOM 313 CA ARG A 22 10.989 5.000 0.611 1.00 0.00 C ATOM 314 C ARG A 22 11.925 3.807 0.651 1.00 0.00 C ATOM 315 O ARG A 22 12.300 3.334 1.719 1.00 0.00 O ATOM 316 CB ARG A 22 11.606 6.172 1.363 1.00 0.00 C ATOM 317 CG ARG A 22 12.988 6.471 0.853 1.00 0.00 C ATOM 318 CD ARG A 22 13.563 7.743 1.417 1.00 0.00 C ATOM 319 NE ARG A 22 14.587 8.241 0.516 1.00 0.00 N ATOM 320 CZ ARG A 22 15.351 9.310 0.740 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.215 10.004 1.864 1.00 0.00 N ATOM 322 NH2 ARG A 22 16.246 9.683 -0.167 1.00 0.00 N ATOM 0 H ARG A 22 9.747 4.090 2.015 1.00 0.00 H new ATOM 0 HA ARG A 22 10.838 5.318 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.975 7.053 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.649 5.943 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.648 5.640 1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.960 6.543 -0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.777 8.488 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.987 7.559 2.404 1.00 0.00 H new ATOM 0 HE ARG A 22 14.733 7.733 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.524 9.719 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.801 10.822 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.347 9.152 -1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.832 10.501 0.001 1.00 0.00 H new ATOM 336 N ASP A 23 12.301 3.318 -0.516 1.00 0.00 N ATOM 337 CA ASP A 23 13.087 2.104 -0.581 1.00 0.00 C ATOM 338 C ASP A 23 14.577 2.392 -0.427 1.00 0.00 C ATOM 339 O ASP A 23 14.997 3.542 -0.311 1.00 0.00 O ATOM 340 CB ASP A 23 12.805 1.330 -1.876 1.00 0.00 C ATOM 341 CG ASP A 23 13.616 0.057 -2.047 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.324 -0.936 -1.360 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.581 0.069 -2.836 1.00 0.00 O ATOM 0 H ASP A 23 12.078 3.737 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 23 12.786 1.476 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.745 1.076 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.001 1.986 -2.724 1.00 0.00 H new ATOM 348 N ASP A 24 15.347 1.332 -0.444 1.00 0.00 N ATOM 349 CA ASP A 24 16.791 1.372 -0.356 1.00 0.00 C ATOM 350 C ASP A 24 17.389 2.217 -1.478 1.00 0.00 C ATOM 351 O ASP A 24 18.338 2.972 -1.265 1.00 0.00 O ATOM 352 CB ASP A 24 17.285 -0.064 -0.442 1.00 0.00 C ATOM 353 CG ASP A 24 18.753 -0.192 -0.797 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.610 0.106 0.059 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.053 -0.622 -1.933 1.00 0.00 O ATOM 0 H ASP A 24 14.976 0.385 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 24 17.101 1.832 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.109 -0.556 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.694 -0.596 -1.187 1.00 0.00 H new ATOM 360 N ASP A 25 16.805 2.110 -2.670 1.00 0.00 N ATOM 361 CA ASP A 25 17.280 2.863 -3.833 1.00 0.00 C ATOM 362 C ASP A 25 16.920 4.343 -3.741 1.00 0.00 C ATOM 363 O ASP A 25 17.142 5.102 -4.682 1.00 0.00 O ATOM 364 CB ASP A 25 16.717 2.279 -5.135 1.00 0.00 C ATOM 365 CG ASP A 25 17.411 1.001 -5.553 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.498 1.084 -6.163 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.876 -0.093 -5.282 1.00 0.00 O ATOM 0 H ASP A 25 16.002 1.510 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 25 18.366 2.775 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.652 2.084 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.815 3.017 -5.931 1.00 0.00 H new ATOM 372 N GLY A 26 16.359 4.746 -2.612 1.00 0.00 N ATOM 373 CA GLY A 26 16.002 6.134 -2.419 1.00 0.00 C ATOM 374 C GLY A 26 14.636 6.453 -2.979 1.00 0.00 C ATOM 375 O GLY A 26 14.122 7.548 -2.786 1.00 0.00 O ATOM 0 H GLY A 26 16.144 4.135 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.020 6.368 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.747 6.769 -2.898 1.00 0.00 H new ATOM 379 N THR A 27 14.066 5.483 -3.679 1.00 0.00 N ATOM 380 CA THR A 27 12.749 5.607 -4.280 1.00 0.00 C ATOM 381 C THR A 27 11.698 5.992 -3.241 1.00 0.00 C ATOM 382 O THR A 27 11.480 5.261 -2.277 1.00 0.00 O ATOM 383 CB THR A 27 12.352 4.271 -4.915 1.00 0.00 C ATOM 384 OG1 THR A 27 13.408 3.809 -5.768 1.00 0.00 O ATOM 385 CG2 THR A 27 11.064 4.394 -5.714 1.00 0.00 C ATOM 0 H THR A 27 14.510 4.580 -3.846 1.00 0.00 H new ATOM 0 HA THR A 27 12.795 6.391 -5.035 1.00 0.00 H new ATOM 0 HB THR A 27 12.183 3.553 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.152 2.953 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.813 3.427 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.257 4.716 -5.056 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.198 5.127 -6.509 1.00 0.00 H new ATOM 393 N GLU A 28 11.053 7.129 -3.444 1.00 0.00 N ATOM 394 CA GLU A 28 10.029 7.606 -2.523 1.00 0.00 C ATOM 395 C GLU A 28 8.670 7.655 -3.211 1.00 0.00 C ATOM 396 O GLU A 28 8.488 8.357 -4.210 1.00 0.00 O ATOM 397 CB GLU A 28 10.408 8.991 -1.984 1.00 0.00 C ATOM 398 CG GLU A 28 11.596 8.985 -1.029 1.00 0.00 C ATOM 399 CD GLU A 28 12.304 10.331 -0.965 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.883 11.206 -0.183 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.296 10.518 -1.701 1.00 0.00 O ATOM 0 H GLU A 28 11.220 7.743 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 28 9.963 6.911 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.635 9.646 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.546 9.418 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.254 8.711 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.306 8.220 -1.343 1.00 0.00 H new ATOM 408 N GLU A 29 7.722 6.898 -2.677 1.00 0.00 N ATOM 409 CA GLU A 29 6.388 6.816 -3.241 1.00 0.00 C ATOM 410 C GLU A 29 5.368 6.624 -2.144 1.00 0.00 C ATOM 411 O GLU A 29 5.518 5.748 -1.303 1.00 0.00 O ATOM 412 CB GLU A 29 6.278 5.652 -4.228 1.00 0.00 C ATOM 413 CG GLU A 29 4.835 5.295 -4.577 1.00 0.00 C ATOM 414 CD GLU A 29 4.712 4.129 -5.537 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.863 2.972 -5.100 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.433 4.368 -6.731 1.00 0.00 O ATOM 0 H GLU A 29 7.858 6.326 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 29 6.194 7.750 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.814 5.907 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.770 4.777 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.297 5.057 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.350 6.167 -5.015 1.00 0.00 H new ATOM 423 N TRP A 30 4.338 7.436 -2.147 1.00 0.00 N ATOM 424 CA TRP A 30 3.234 7.204 -1.255 1.00 0.00 C ATOM 425 C TRP A 30 2.101 6.531 -2.013 1.00 0.00 C ATOM 426 O TRP A 30 1.987 6.659 -3.234 1.00 0.00 O ATOM 427 CB TRP A 30 2.769 8.502 -0.591 1.00 0.00 C ATOM 428 CG TRP A 30 2.265 9.541 -1.543 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.920 10.663 -1.955 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.989 9.556 -2.190 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.122 11.384 -2.815 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.929 10.718 -2.977 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.105 8.693 -2.174 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.192 11.040 -3.740 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.210 9.008 -2.933 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.245 10.174 -3.706 1.00 0.00 C ATOM 0 H TRP A 30 4.244 8.253 -2.750 1.00 0.00 H new ATOM 0 HA TRP A 30 3.563 6.541 -0.454 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.979 8.267 0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.598 8.921 -0.021 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.917 10.945 -1.652 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.374 12.267 -3.259 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.087 7.793 -1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.225 11.941 -4.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.063 8.345 -2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.127 10.393 -4.290 1.00 0.00 H new ATOM 447 N ARG A 31 1.280 5.813 -1.285 1.00 0.00 N ATOM 448 CA ARG A 31 0.159 5.086 -1.847 1.00 0.00 C ATOM 449 C ARG A 31 -1.032 5.205 -0.930 1.00 0.00 C ATOM 450 O ARG A 31 -0.953 5.828 0.126 1.00 0.00 O ATOM 451 CB ARG A 31 0.479 3.614 -2.062 1.00 0.00 C ATOM 452 CG ARG A 31 1.482 3.345 -3.164 1.00 0.00 C ATOM 453 CD ARG A 31 1.498 1.874 -3.536 1.00 0.00 C ATOM 454 NE ARG A 31 2.576 1.550 -4.460 1.00 0.00 N ATOM 455 CZ ARG A 31 2.511 0.572 -5.357 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.482 -0.269 -5.362 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.503 0.403 -6.214 1.00 0.00 N ATOM 0 H ARG A 31 1.370 5.714 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.062 5.526 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.862 3.198 -1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.445 3.084 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.234 3.943 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.476 3.653 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.604 1.274 -2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.543 1.605 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 31 3.430 2.106 -4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.736 -0.166 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.438 -1.018 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.313 1.022 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.458 -0.346 -6.905 1.00 0.00 H new ATOM 471 N CYS A 32 -2.112 4.562 -1.311 1.00 0.00 N ATOM 472 CA CYS A 32 -3.345 4.638 -0.567 1.00 0.00 C ATOM 473 C CYS A 32 -3.554 3.305 0.081 1.00 0.00 C ATOM 474 O CYS A 32 -3.478 2.265 -0.575 1.00 0.00 O ATOM 475 CB CYS A 32 -4.520 4.924 -1.504 1.00 0.00 C ATOM 476 SG CYS A 32 -4.294 6.418 -2.505 1.00 0.00 S ATOM 0 H CYS A 32 -2.159 3.974 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.289 5.439 0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.664 4.070 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.430 5.026 -0.913 1.00 0.00 H new ATOM 481 N LEU A 33 -3.758 3.356 1.388 1.00 0.00 N ATOM 482 CA LEU A 33 -3.765 2.172 2.216 1.00 0.00 C ATOM 483 C LEU A 33 -4.783 1.173 1.697 1.00 0.00 C ATOM 484 O LEU A 33 -5.679 1.517 0.928 1.00 0.00 O ATOM 485 CB LEU A 33 -4.082 2.529 3.670 1.00 0.00 C ATOM 486 CG LEU A 33 -3.257 3.649 4.320 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.167 3.424 5.818 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.870 3.774 3.717 1.00 0.00 C ATOM 0 H LEU A 33 -3.923 4.223 1.900 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.772 1.723 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.134 2.810 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.960 1.628 4.272 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.772 4.589 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.580 4.223 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.169 3.422 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.687 2.465 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.329 4.580 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.329 2.837 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.954 3.994 2.653 1.00 0.00 H new ATOM 500 N LEU A 34 -4.634 -0.061 2.114 1.00 0.00 N ATOM 501 CA LEU A 34 -5.484 -1.121 1.661 1.00 0.00 C ATOM 502 C LEU A 34 -6.914 -0.844 2.055 1.00 0.00 C ATOM 503 O LEU A 34 -7.176 -0.319 3.132 1.00 0.00 O ATOM 504 CB LEU A 34 -4.984 -2.432 2.240 1.00 0.00 C ATOM 505 CG LEU A 34 -3.522 -2.701 1.925 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.078 -4.035 2.488 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.300 -2.636 0.425 1.00 0.00 C ATOM 0 H LEU A 34 -3.917 -0.353 2.778 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.456 -1.189 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.121 -2.421 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.590 -3.250 1.850 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.914 -1.932 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.028 -4.200 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.206 -4.034 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.680 -4.832 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.250 -2.829 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.919 -3.386 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.571 -1.646 0.060 1.00 0.00 H new ATOM 519 N GLY A 35 -7.829 -1.147 1.157 1.00 0.00 N ATOM 520 CA GLY A 35 -9.210 -0.842 1.398 1.00 0.00 C ATOM 521 C GLY A 35 -9.462 0.642 1.325 1.00 0.00 C ATOM 522 O GLY A 35 -10.419 1.151 1.918 1.00 0.00 O ATOM 0 H GLY A 35 -7.637 -1.600 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.832 -1.355 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.501 -1.215 2.380 1.00 0.00 H new ATOM 526 N TYR A 36 -8.565 1.340 0.631 1.00 0.00 N ATOM 527 CA TYR A 36 -8.713 2.740 0.315 1.00 0.00 C ATOM 528 C TYR A 36 -8.447 2.910 -1.177 1.00 0.00 C ATOM 529 O TYR A 36 -7.938 1.995 -1.825 1.00 0.00 O ATOM 530 CB TYR A 36 -7.708 3.603 1.080 1.00 0.00 C ATOM 531 CG TYR A 36 -7.753 3.538 2.600 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.585 2.674 3.298 1.00 0.00 C ATOM 533 CD2 TYR A 36 -6.937 4.359 3.331 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.595 2.636 4.677 1.00 0.00 C ATOM 535 CE2 TYR A 36 -6.936 4.333 4.712 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.766 3.470 5.382 1.00 0.00 C ATOM 537 OH TYR A 36 -7.765 3.445 6.759 1.00 0.00 O ATOM 0 H TYR A 36 -7.703 0.931 0.271 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.718 3.057 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.706 3.320 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.857 4.641 0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.241 2.015 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.279 5.043 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.251 1.954 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.282 4.992 5.264 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.118 4.098 7.098 1.00 0.00 H new ATOM 547 N LYS A 37 -8.781 4.062 -1.718 1.00 0.00 N ATOM 548 CA LYS A 37 -8.612 4.310 -3.132 1.00 0.00 C ATOM 549 C LYS A 37 -8.035 5.693 -3.358 1.00 0.00 C ATOM 550 O LYS A 37 -7.874 6.472 -2.416 1.00 0.00 O ATOM 551 CB LYS A 37 -9.960 4.190 -3.833 1.00 0.00 C ATOM 552 CG LYS A 37 -10.995 5.173 -3.331 1.00 0.00 C ATOM 553 CD LYS A 37 -12.339 4.904 -3.966 1.00 0.00 C ATOM 554 CE LYS A 37 -13.374 5.936 -3.551 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.640 5.766 -4.307 1.00 0.00 N ATOM 0 H LYS A 37 -9.173 4.845 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.922 3.573 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.818 4.340 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.340 3.177 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.078 5.099 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.677 6.191 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.236 4.908 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.683 3.909 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.571 5.847 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.979 6.938 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.326 6.485 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.454 5.875 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.028 4.818 -4.126 1.00 0.00 H new ATOM 569 N LYS A 38 -7.726 5.986 -4.604 1.00 0.00 N ATOM 570 CA LYS A 38 -7.215 7.290 -4.972 1.00 0.00 C ATOM 571 C LYS A 38 -8.368 8.187 -5.381 1.00 0.00 C ATOM 572 O LYS A 38 -9.207 7.800 -6.194 1.00 0.00 O ATOM 573 CB LYS A 38 -6.218 7.168 -6.119 1.00 0.00 C ATOM 574 CG LYS A 38 -5.338 8.387 -6.270 1.00 0.00 C ATOM 575 CD LYS A 38 -4.334 8.485 -5.136 1.00 0.00 C ATOM 576 CE LYS A 38 -3.038 7.768 -5.479 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.146 6.289 -5.374 1.00 0.00 N ATOM 0 H LYS A 38 -7.821 5.335 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.702 7.725 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.590 6.292 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.761 7.002 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.811 8.342 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.956 9.284 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.126 9.533 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.762 8.054 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.740 8.034 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.249 8.117 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.200 5.881 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.756 6.042 -4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.558 5.908 -6.250 1.00 0.00 H new ATOM 591 N GLY A 39 -8.414 9.375 -4.802 1.00 0.00 N ATOM 592 CA GLY A 39 -9.505 10.277 -5.067 1.00 0.00 C ATOM 593 C GLY A 39 -9.175 11.305 -6.128 1.00 0.00 C ATOM 594 O GLY A 39 -9.036 10.976 -7.306 1.00 0.00 O ATOM 0 H GLY A 39 -7.712 9.729 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.376 9.703 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.779 10.789 -4.145 1.00 0.00 H new ATOM 598 N GLU A 40 -9.018 12.548 -5.703 1.00 0.00 N ATOM 599 CA GLU A 40 -8.781 13.659 -6.617 1.00 0.00 C ATOM 600 C GLU A 40 -7.308 13.746 -7.035 1.00 0.00 C ATOM 601 O GLU A 40 -6.643 14.761 -6.831 1.00 0.00 O ATOM 602 CB GLU A 40 -9.239 14.968 -5.968 1.00 0.00 C ATOM 603 CG GLU A 40 -8.550 15.279 -4.647 1.00 0.00 C ATOM 604 CD GLU A 40 -9.159 16.469 -3.940 1.00 0.00 C ATOM 605 OE1 GLU A 40 -10.225 16.308 -3.315 1.00 0.00 O ATOM 606 OE2 GLU A 40 -8.582 17.575 -4.009 1.00 0.00 O ATOM 0 H GLU A 40 -9.051 12.817 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.362 13.485 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.058 15.788 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.315 14.922 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.608 14.406 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.493 15.471 -4.829 1.00 0.00 H new ATOM 613 N GLY A 41 -6.800 12.675 -7.620 1.00 0.00 N ATOM 614 CA GLY A 41 -5.442 12.685 -8.115 1.00 0.00 C ATOM 615 C GLY A 41 -4.434 12.262 -7.073 1.00 0.00 C ATOM 616 O GLY A 41 -4.004 11.112 -7.046 1.00 0.00 O ATOM 0 H GLY A 41 -7.303 11.799 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.369 12.019 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.196 13.687 -8.466 1.00 0.00 H new ATOM 620 N ASN A 42 -4.064 13.192 -6.208 1.00 0.00 N ATOM 621 CA ASN A 42 -3.065 12.922 -5.183 1.00 0.00 C ATOM 622 C ASN A 42 -3.707 12.867 -3.806 1.00 0.00 C ATOM 623 O ASN A 42 -3.257 13.516 -2.864 1.00 0.00 O ATOM 624 CB ASN A 42 -1.937 13.966 -5.214 1.00 0.00 C ATOM 625 CG ASN A 42 -2.420 15.390 -4.980 1.00 0.00 C ATOM 626 OD1 ASN A 42 -3.538 15.753 -5.345 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.575 16.203 -4.364 1.00 0.00 N ATOM 0 H ASN A 42 -4.439 14.140 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.625 11.948 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.197 13.712 -4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.433 13.916 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.842 17.169 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.657 15.863 -4.077 1.00 0.00 H new ATOM 634 N THR A 43 -4.761 12.076 -3.698 1.00 0.00 N ATOM 635 CA THR A 43 -5.462 11.908 -2.439 1.00 0.00 C ATOM 636 C THR A 43 -5.877 10.473 -2.235 1.00 0.00 C ATOM 637 O THR A 43 -6.258 9.787 -3.179 1.00 0.00 O ATOM 638 CB THR A 43 -6.708 12.784 -2.368 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.356 12.790 -3.636 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.344 14.194 -1.959 1.00 0.00 C ATOM 0 H THR A 43 -5.151 11.538 -4.472 1.00 0.00 H new ATOM 0 HA THR A 43 -4.766 12.207 -1.655 1.00 0.00 H new ATOM 0 HB THR A 43 -7.386 12.377 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.259 11.910 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.246 14.804 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.868 14.177 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.655 14.618 -2.689 1.00 0.00 H new ATOM 648 N CYS A 44 -5.803 10.026 -1.005 1.00 0.00 N ATOM 649 CA CYS A 44 -6.262 8.703 -0.668 1.00 0.00 C ATOM 650 C CYS A 44 -7.471 8.791 0.238 1.00 0.00 C ATOM 651 O CYS A 44 -7.544 9.645 1.118 1.00 0.00 O ATOM 652 CB CYS A 44 -5.135 7.911 -0.030 1.00 0.00 C ATOM 653 SG CYS A 44 -3.691 7.770 -1.127 1.00 0.00 S ATOM 0 H CYS A 44 -5.429 10.560 -0.221 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.565 8.178 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.836 8.392 0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.493 6.914 0.227 1.00 0.00 H new ATOM 658 N VAL A 45 -8.429 7.931 -0.016 1.00 0.00 N ATOM 659 CA VAL A 45 -9.693 7.956 0.692 1.00 0.00 C ATOM 660 C VAL A 45 -10.159 6.552 0.993 1.00 0.00 C ATOM 661 O VAL A 45 -9.917 5.630 0.216 1.00 0.00 O ATOM 662 CB VAL A 45 -10.791 8.670 -0.130 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.505 10.161 -0.257 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.921 8.049 -1.518 1.00 0.00 C ATOM 0 H VAL A 45 -8.357 7.194 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.528 8.505 1.619 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.732 8.543 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.295 10.635 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.468 10.610 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.548 10.307 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.699 8.568 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.972 8.139 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.184 6.996 -1.422 1.00 0.00 H new ATOM 674 N GLU A 46 -10.818 6.393 2.122 1.00 0.00 N ATOM 675 CA GLU A 46 -11.397 5.119 2.479 1.00 0.00 C ATOM 676 C GLU A 46 -12.493 4.759 1.491 1.00 0.00 C ATOM 677 O GLU A 46 -13.597 5.297 1.561 1.00 0.00 O ATOM 678 CB GLU A 46 -11.977 5.175 3.884 1.00 0.00 C ATOM 679 CG GLU A 46 -10.940 5.021 4.983 1.00 0.00 C ATOM 680 CD GLU A 46 -11.524 5.228 6.368 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.246 4.333 6.852 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.261 6.282 6.980 1.00 0.00 O ATOM 0 H GLU A 46 -10.965 7.133 2.808 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.615 4.360 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.494 6.126 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.724 4.389 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.498 4.026 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.135 5.738 4.821 1.00 0.00 H new ATOM 689 N ASN A 47 -12.185 3.851 0.570 1.00 0.00 N ATOM 690 CA ASN A 47 -13.112 3.490 -0.471 1.00 0.00 C ATOM 691 C ASN A 47 -14.335 2.809 0.110 1.00 0.00 C ATOM 692 O ASN A 47 -15.456 3.019 -0.348 1.00 0.00 O ATOM 693 CB ASN A 47 -12.427 2.607 -1.528 1.00 0.00 C ATOM 694 CG ASN A 47 -11.642 1.453 -1.017 1.00 0.00 C ATOM 695 OD1 ASN A 47 -11.951 0.893 0.016 1.00 0.00 O ATOM 696 ND2 ASN A 47 -10.659 1.049 -1.797 1.00 0.00 N ATOM 0 H ASN A 47 -11.294 3.356 0.533 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.445 4.402 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.193 2.227 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.763 3.236 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.113 0.226 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.445 1.560 -2.654 1.00 0.00 H new ATOM 703 N ASN A 48 -14.092 1.986 1.126 1.00 0.00 N ATOM 704 CA ASN A 48 -15.139 1.329 1.908 1.00 0.00 C ATOM 705 C ASN A 48 -15.959 0.347 1.075 1.00 0.00 C ATOM 706 O ASN A 48 -16.828 -0.345 1.595 1.00 0.00 O ATOM 707 CB ASN A 48 -16.037 2.352 2.587 1.00 0.00 C ATOM 708 CG ASN A 48 -16.249 2.016 4.046 1.00 0.00 C ATOM 709 OD1 ASN A 48 -17.247 1.403 4.423 1.00 0.00 O ATOM 710 ND2 ASN A 48 -15.276 2.371 4.871 1.00 0.00 N ATOM 0 H ASN A 48 -13.149 1.752 1.435 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.637 0.746 2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.592 3.343 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.000 2.389 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.337 2.137 5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.466 2.879 4.516 1.00 0.00 H new ATOM 717 N ASN A 49 -15.669 0.295 -0.215 1.00 0.00 N ATOM 718 CA ASN A 49 -16.153 -0.769 -1.085 1.00 0.00 C ATOM 719 C ASN A 49 -15.039 -1.192 -2.055 1.00 0.00 C ATOM 720 O ASN A 49 -15.222 -1.198 -3.271 1.00 0.00 O ATOM 721 CB ASN A 49 -17.363 -0.298 -1.872 1.00 0.00 C ATOM 722 CG ASN A 49 -18.025 -1.425 -2.646 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.021 -2.578 -2.210 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.584 -1.105 -3.801 1.00 0.00 N ATOM 0 H ASN A 49 -15.091 0.989 -0.690 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.443 -1.621 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.088 0.144 -1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.059 0.486 -2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.034 -1.825 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.566 -0.138 -4.126 1.00 0.00 H new ATOM 731 N PRO A 50 -13.851 -1.515 -1.517 1.00 0.00 N ATOM 732 CA PRO A 50 -12.690 -1.890 -2.314 1.00 0.00 C ATOM 733 C PRO A 50 -12.908 -3.174 -3.092 1.00 0.00 C ATOM 734 O PRO A 50 -13.468 -4.148 -2.583 1.00 0.00 O ATOM 735 CB PRO A 50 -11.565 -2.055 -1.296 1.00 0.00 C ATOM 736 CG PRO A 50 -12.233 -2.205 0.017 1.00 0.00 C ATOM 737 CD PRO A 50 -13.548 -1.510 -0.094 1.00 0.00 C ATOM 0 HA PRO A 50 -12.471 -1.137 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.953 -2.927 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.902 -1.190 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.370 -3.258 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.629 -1.767 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.319 -2.028 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.492 -0.493 0.295 1.00 0.00 H new ATOM 745 N THR A 51 -12.477 -3.151 -4.330 1.00 0.00 N ATOM 746 CA THR A 51 -12.588 -4.297 -5.205 1.00 0.00 C ATOM 747 C THR A 51 -11.198 -4.728 -5.637 1.00 0.00 C ATOM 748 O THR A 51 -10.297 -3.893 -5.743 1.00 0.00 O ATOM 749 CB THR A 51 -13.451 -3.964 -6.444 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.732 -5.153 -7.196 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.769 -2.940 -7.346 1.00 0.00 C ATOM 0 H THR A 51 -12.039 -2.337 -4.761 1.00 0.00 H new ATOM 0 HA THR A 51 -13.075 -5.109 -4.666 1.00 0.00 H new ATOM 0 HB THR A 51 -14.385 -3.534 -6.082 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.280 -4.925 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.406 -2.731 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.600 -2.019 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.814 -3.337 -7.690 1.00 0.00 H new ATOM 759 N CYS A 52 -10.998 -6.012 -5.874 1.00 0.00 N ATOM 760 CA CYS A 52 -9.713 -6.444 -6.365 1.00 0.00 C ATOM 761 C CYS A 52 -9.751 -6.324 -7.870 1.00 0.00 C ATOM 762 O CYS A 52 -10.626 -6.898 -8.522 1.00 0.00 O ATOM 763 CB CYS A 52 -9.434 -7.885 -5.937 1.00 0.00 C ATOM 764 SG CYS A 52 -7.732 -8.437 -6.258 1.00 0.00 S ATOM 0 H CYS A 52 -11.689 -6.750 -5.738 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.912 -5.829 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.642 -7.983 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.124 -8.548 -6.459 1.00 0.00 H new ATOM 769 N ASP A 53 -8.751 -5.637 -8.401 1.00 0.00 N ATOM 770 CA ASP A 53 -8.769 -5.134 -9.775 1.00 0.00 C ATOM 771 C ASP A 53 -7.945 -3.867 -9.833 1.00 0.00 C ATOM 772 O ASP A 53 -6.989 -3.758 -10.598 1.00 0.00 O ATOM 773 CB ASP A 53 -10.190 -4.772 -10.230 1.00 0.00 C ATOM 774 CG ASP A 53 -10.249 -4.388 -11.691 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.387 -5.294 -12.537 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.157 -3.181 -11.998 1.00 0.00 O ATOM 0 H ASP A 53 -7.897 -5.409 -7.892 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.374 -5.916 -10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.852 -5.620 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.562 -3.945 -9.625 1.00 0.00 H new ATOM 781 N ILE A 54 -8.329 -2.912 -8.990 1.00 0.00 N ATOM 782 CA ILE A 54 -7.686 -1.612 -8.950 1.00 0.00 C ATOM 783 C ILE A 54 -6.323 -1.734 -8.326 1.00 0.00 C ATOM 784 O ILE A 54 -6.198 -1.673 -7.104 1.00 0.00 O ATOM 785 CB ILE A 54 -8.489 -0.605 -8.122 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.938 -0.551 -8.610 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.815 0.763 -8.200 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.856 0.246 -7.707 1.00 0.00 C ATOM 0 H ILE A 54 -9.091 -3.021 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.618 -1.258 -9.979 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.510 -0.918 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.959 -0.117 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.321 -1.568 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.384 1.483 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.801 0.692 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.778 1.092 -9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.866 0.239 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.866 -0.200 -6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.498 1.273 -7.640 1.00 0.00 H new ATOM 800 N ASN A 55 -5.312 -1.927 -9.153 1.00 0.00 N ATOM 801 CA ASN A 55 -3.965 -2.104 -8.657 1.00 0.00 C ATOM 802 C ASN A 55 -3.954 -3.238 -7.650 1.00 0.00 C ATOM 803 O ASN A 55 -3.429 -3.104 -6.548 1.00 0.00 O ATOM 804 CB ASN A 55 -3.465 -0.826 -7.997 1.00 0.00 C ATOM 805 CG ASN A 55 -1.955 -0.809 -7.880 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.253 -1.376 -8.716 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.443 -0.170 -6.847 1.00 0.00 N ATOM 0 H ASN A 55 -5.400 -1.965 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.306 -2.341 -9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.795 0.036 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.908 -0.731 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.432 -0.134 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.058 0.288 -6.175 1.00 0.00 H new ATOM 814 N ASN A 56 -4.615 -4.332 -8.020 1.00 0.00 N ATOM 815 CA ASN A 56 -4.696 -5.516 -7.170 1.00 0.00 C ATOM 816 C ASN A 56 -5.463 -5.166 -5.900 1.00 0.00 C ATOM 817 O ASN A 56 -5.138 -5.637 -4.834 1.00 0.00 O ATOM 818 CB ASN A 56 -3.297 -6.042 -6.787 1.00 0.00 C ATOM 819 CG ASN A 56 -2.243 -5.764 -7.819 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.435 -5.977 -9.015 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.135 -5.238 -7.353 1.00 0.00 N ATOM 0 H ASN A 56 -5.106 -4.423 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.210 -6.299 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.995 -5.590 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.356 -7.118 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.382 -4.985 -7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.027 -5.082 -6.351 1.00 0.00 H new ATOM 828 N GLY A 57 -6.448 -4.283 -6.014 1.00 0.00 N ATOM 829 CA GLY A 57 -7.253 -3.922 -4.863 1.00 0.00 C ATOM 830 C GLY A 57 -6.592 -2.872 -3.988 1.00 0.00 C ATOM 831 O GLY A 57 -7.127 -2.505 -2.943 1.00 0.00 O ATOM 0 H GLY A 57 -6.703 -3.811 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.219 -3.549 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.448 -4.814 -4.268 1.00 0.00 H new ATOM 835 N GLY A 58 -5.445 -2.369 -4.425 1.00 0.00 N ATOM 836 CA GLY A 58 -4.700 -1.424 -3.620 1.00 0.00 C ATOM 837 C GLY A 58 -3.379 -2.002 -3.151 1.00 0.00 C ATOM 838 O GLY A 58 -2.706 -1.433 -2.298 1.00 0.00 O ATOM 0 H GLY A 58 -5.018 -2.599 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.516 -0.519 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.297 -1.133 -2.756 1.00 0.00 H new ATOM 842 N CYS A 59 -2.998 -3.114 -3.754 1.00 0.00 N ATOM 843 CA CYS A 59 -1.799 -3.851 -3.393 1.00 0.00 C ATOM 844 C CYS A 59 -0.719 -3.645 -4.431 1.00 0.00 C ATOM 845 O CYS A 59 -0.869 -2.886 -5.386 1.00 0.00 O ATOM 846 CB CYS A 59 -2.080 -5.355 -3.315 1.00 0.00 C ATOM 847 SG CYS A 59 -3.643 -5.816 -2.497 1.00 0.00 S ATOM 0 H CYS A 59 -3.521 -3.537 -4.521 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.475 -3.479 -2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.086 -5.759 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.257 -5.834 -2.785 1.00 0.00 H new ATOM 852 N ASP A 60 0.369 -4.334 -4.212 1.00 0.00 N ATOM 853 CA ASP A 60 1.475 -4.358 -5.135 1.00 0.00 C ATOM 854 C ASP A 60 1.323 -5.633 -5.916 1.00 0.00 C ATOM 855 O ASP A 60 0.804 -6.601 -5.397 1.00 0.00 O ATOM 856 CB ASP A 60 2.763 -4.400 -4.326 1.00 0.00 C ATOM 857 CG ASP A 60 4.016 -4.226 -5.165 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.458 -5.214 -5.786 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.578 -3.114 -5.186 1.00 0.00 O ATOM 0 H ASP A 60 0.515 -4.902 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 60 1.498 -3.490 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.732 -3.617 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.819 -5.352 -3.798 1.00 0.00 H new ATOM 864 N PRO A 61 1.654 -5.621 -7.210 1.00 0.00 N ATOM 865 CA PRO A 61 1.449 -6.782 -8.075 1.00 0.00 C ATOM 866 C PRO A 61 2.164 -8.025 -7.559 1.00 0.00 C ATOM 867 O PRO A 61 1.892 -9.140 -8.005 1.00 0.00 O ATOM 868 CB PRO A 61 2.035 -6.353 -9.419 1.00 0.00 C ATOM 869 CG PRO A 61 2.102 -4.868 -9.382 1.00 0.00 C ATOM 870 CD PRO A 61 2.202 -4.469 -7.939 1.00 0.00 C ATOM 0 HA PRO A 61 0.396 -7.057 -8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.025 -6.785 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.410 -6.695 -10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.964 -4.507 -9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.216 -4.430 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.234 -4.269 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.633 -3.562 -7.736 1.00 0.00 H new ATOM 878 N THR A 62 3.092 -7.819 -6.636 1.00 0.00 N ATOM 879 CA THR A 62 3.776 -8.913 -5.976 1.00 0.00 C ATOM 880 C THR A 62 2.977 -9.352 -4.750 1.00 0.00 C ATOM 881 O THR A 62 3.131 -10.461 -4.242 1.00 0.00 O ATOM 882 CB THR A 62 5.195 -8.483 -5.572 1.00 0.00 C ATOM 883 OG1 THR A 62 5.142 -7.475 -4.553 1.00 0.00 O ATOM 884 CG2 THR A 62 5.917 -7.922 -6.782 1.00 0.00 C ATOM 0 H THR A 62 3.388 -6.893 -6.327 1.00 0.00 H new ATOM 0 HA THR A 62 3.857 -9.755 -6.663 1.00 0.00 H new ATOM 0 HB THR A 62 5.727 -9.353 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.085 -6.590 -4.971 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.924 -7.617 -6.496 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.976 -8.686 -7.557 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.371 -7.059 -7.164 1.00 0.00 H new ATOM 892 N ALA A 63 2.117 -8.454 -4.291 1.00 0.00 N ATOM 893 CA ALA A 63 1.169 -8.740 -3.233 1.00 0.00 C ATOM 894 C ALA A 63 -0.091 -9.368 -3.825 1.00 0.00 C ATOM 895 O ALA A 63 -0.955 -8.666 -4.350 1.00 0.00 O ATOM 896 CB ALA A 63 0.821 -7.461 -2.473 1.00 0.00 C ATOM 0 H ALA A 63 2.060 -7.500 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 63 1.619 -9.444 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.108 -7.691 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.726 -7.040 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.380 -6.738 -3.160 1.00 0.00 H new ATOM 902 N SER A 64 -0.177 -10.692 -3.750 1.00 0.00 N ATOM 903 CA SER A 64 -1.320 -11.429 -4.273 1.00 0.00 C ATOM 904 C SER A 64 -2.598 -10.927 -3.610 1.00 0.00 C ATOM 905 O SER A 64 -2.733 -10.984 -2.386 1.00 0.00 O ATOM 906 CB SER A 64 -1.140 -12.933 -4.026 1.00 0.00 C ATOM 907 OG SER A 64 -2.092 -13.695 -4.749 1.00 0.00 O ATOM 0 H SER A 64 0.540 -11.281 -3.327 1.00 0.00 H new ATOM 0 HA SER A 64 -1.392 -11.266 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.134 -13.233 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.238 -13.142 -2.961 1.00 0.00 H new ATOM 0 HG SER A 64 -1.950 -14.648 -4.572 1.00 0.00 H new ATOM 913 N CYS A 65 -3.510 -10.414 -4.419 1.00 0.00 N ATOM 914 CA CYS A 65 -4.705 -9.765 -3.909 1.00 0.00 C ATOM 915 C CYS A 65 -5.894 -10.707 -3.830 1.00 0.00 C ATOM 916 O CYS A 65 -6.074 -11.597 -4.667 1.00 0.00 O ATOM 917 CB CYS A 65 -5.076 -8.568 -4.780 1.00 0.00 C ATOM 918 SG CYS A 65 -6.781 -7.973 -4.528 1.00 0.00 S ATOM 0 H CYS A 65 -3.444 -10.435 -5.437 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.469 -9.436 -2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.383 -7.752 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.947 -8.839 -5.828 1.00 0.00 H new ATOM 923 N GLN A 66 -6.689 -10.495 -2.797 1.00 0.00 N ATOM 924 CA GLN A 66 -7.970 -11.155 -2.630 1.00 0.00 C ATOM 925 C GLN A 66 -8.990 -10.107 -2.208 1.00 0.00 C ATOM 926 O GLN A 66 -8.686 -9.271 -1.359 1.00 0.00 O ATOM 927 CB GLN A 66 -7.880 -12.222 -1.541 1.00 0.00 C ATOM 928 CG GLN A 66 -6.490 -12.797 -1.376 1.00 0.00 C ATOM 929 CD GLN A 66 -6.277 -14.057 -2.182 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.172 -14.339 -2.646 1.00 0.00 O ATOM 931 NE2 GLN A 66 -7.331 -14.838 -2.334 1.00 0.00 N ATOM 0 H GLN A 66 -6.459 -9.851 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.261 -11.631 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.202 -11.791 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.574 -13.029 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.755 -12.050 -1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.313 -13.011 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.229 -14.567 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.247 -15.713 -2.852 1.00 0.00 H new ATOM 940 N ASN A 67 -10.178 -10.121 -2.787 1.00 0.00 N ATOM 941 CA ASN A 67 -11.214 -9.202 -2.329 1.00 0.00 C ATOM 942 C ASN A 67 -12.157 -9.878 -1.358 1.00 0.00 C ATOM 943 O ASN A 67 -12.610 -11.007 -1.569 1.00 0.00 O ATOM 944 CB ASN A 67 -11.990 -8.529 -3.471 1.00 0.00 C ATOM 945 CG ASN A 67 -12.338 -9.435 -4.633 1.00 0.00 C ATOM 946 OD1 ASN A 67 -12.369 -8.992 -5.780 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.621 -10.686 -4.356 1.00 0.00 N ATOM 0 H ASN A 67 -10.448 -10.738 -3.553 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.690 -8.401 -1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.912 -8.112 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.400 -7.693 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.878 -11.329 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.584 -11.016 -3.391 1.00 0.00 H new ATOM 954 N ALA A 68 -12.430 -9.163 -0.290 1.00 0.00 N ATOM 955 CA ALA A 68 -13.218 -9.668 0.817 1.00 0.00 C ATOM 956 C ALA A 68 -14.150 -8.590 1.334 1.00 0.00 C ATOM 957 O ALA A 68 -13.988 -7.411 1.019 1.00 0.00 O ATOM 958 CB ALA A 68 -12.299 -10.118 1.942 1.00 0.00 C ATOM 0 H ALA A 68 -12.109 -8.203 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.809 -10.514 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.897 -10.496 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.640 -10.907 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.700 -9.273 2.283 1.00 0.00 H new ATOM 964 N GLU A 69 -15.125 -8.999 2.120 1.00 0.00 N ATOM 965 CA GLU A 69 -15.998 -8.072 2.798 1.00 0.00 C ATOM 966 C GLU A 69 -15.711 -8.135 4.280 1.00 0.00 C ATOM 967 O GLU A 69 -16.279 -8.941 5.022 1.00 0.00 O ATOM 968 CB GLU A 69 -17.449 -8.393 2.518 1.00 0.00 C ATOM 969 CG GLU A 69 -17.768 -8.419 1.035 1.00 0.00 C ATOM 970 CD GLU A 69 -19.238 -8.632 0.746 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.698 -9.791 0.794 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.941 -7.641 0.457 1.00 0.00 O ATOM 0 H GLU A 69 -15.331 -9.981 2.304 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.813 -7.062 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.693 -9.361 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.082 -7.653 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.448 -7.479 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.192 -9.213 0.560 1.00 0.00 H new ATOM 979 N SER A 70 -14.803 -7.293 4.691 1.00 0.00 N ATOM 980 CA SER A 70 -14.269 -7.345 6.037 1.00 0.00 C ATOM 981 C SER A 70 -14.942 -6.307 6.923 1.00 0.00 C ATOM 982 O SER A 70 -15.622 -5.410 6.424 1.00 0.00 O ATOM 983 CB SER A 70 -12.762 -7.096 6.014 1.00 0.00 C ATOM 984 OG SER A 70 -12.138 -7.617 7.173 1.00 0.00 O ATOM 0 H SER A 70 -14.410 -6.552 4.110 1.00 0.00 H new ATOM 0 HA SER A 70 -14.467 -8.337 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.328 -7.557 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.569 -6.026 5.944 1.00 0.00 H new ATOM 0 HG SER A 70 -11.371 -8.168 6.912 1.00 0.00 H new ATOM 990 N THR A 71 -14.752 -6.430 8.226 1.00 0.00 N ATOM 991 CA THR A 71 -15.205 -5.413 9.160 1.00 0.00 C ATOM 992 C THR A 71 -14.433 -4.123 8.906 1.00 0.00 C ATOM 993 O THR A 71 -14.976 -3.019 8.980 1.00 0.00 O ATOM 994 CB THR A 71 -14.980 -5.867 10.613 1.00 0.00 C ATOM 995 OG1 THR A 71 -15.392 -7.233 10.763 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.755 -4.990 11.582 1.00 0.00 C ATOM 0 H THR A 71 -14.286 -7.226 8.662 1.00 0.00 H new ATOM 0 HA THR A 71 -16.272 -5.248 9.011 1.00 0.00 H new ATOM 0 HB THR A 71 -13.918 -5.777 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.246 -7.519 11.689 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.579 -5.331 12.602 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.423 -3.957 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.820 -5.052 11.357 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.161 -4.292 8.583 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.287 -3.183 8.256 1.00 0.00 C ATOM 1006 C GLU A 72 -12.218 -3.019 6.747 1.00 0.00 C ATOM 1007 O GLU A 72 -12.007 -3.998 6.032 1.00 0.00 O ATOM 1008 CB GLU A 72 -10.888 -3.460 8.788 1.00 0.00 C ATOM 1009 CG GLU A 72 -10.824 -3.637 10.289 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.923 -2.329 11.038 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -9.883 -1.663 11.211 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -12.036 -1.964 11.457 1.00 0.00 O ATOM 0 H GLU A 72 -12.707 -5.204 8.541 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.679 -2.273 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.500 -4.359 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.232 -2.638 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.633 -4.295 10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.889 -4.131 10.552 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.390 -1.792 6.259 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.214 -1.511 4.834 1.00 0.00 C ATOM 1021 C ASN A 73 -10.828 -1.939 4.404 1.00 0.00 C ATOM 1022 O ASN A 73 -10.646 -2.472 3.314 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.385 -0.019 4.477 1.00 0.00 C ATOM 1024 CG ASN A 73 -12.468 0.926 5.659 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -13.103 0.646 6.673 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -11.813 2.059 5.525 1.00 0.00 N ATOM 0 H ASN A 73 -12.649 -0.982 6.823 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.992 -2.069 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.548 0.285 3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.290 0.093 3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.820 2.745 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.298 2.252 4.666 1.00 0.00 H new ATOM 1033 N SER A 74 -9.855 -1.725 5.281 1.00 0.00 N ATOM 1034 CA SER A 74 -8.475 -2.025 4.959 1.00 0.00 C ATOM 1035 C SER A 74 -8.232 -3.527 4.887 1.00 0.00 C ATOM 1036 O SER A 74 -7.373 -3.986 4.137 1.00 0.00 O ATOM 1037 CB SER A 74 -7.533 -1.381 5.985 1.00 0.00 C ATOM 1038 OG SER A 74 -6.201 -1.830 5.809 1.00 0.00 O ATOM 0 H SER A 74 -10.000 -1.346 6.217 1.00 0.00 H new ATOM 0 HA SER A 74 -8.266 -1.606 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.570 -0.296 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.870 -1.621 6.993 1.00 0.00 H new ATOM 0 HG SER A 74 -5.586 -1.072 5.899 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.004 -4.302 5.637 1.00 0.00 N ATOM 1045 CA LYS A 75 -8.803 -5.742 5.669 1.00 0.00 C ATOM 1046 C LYS A 75 -9.666 -6.417 4.619 1.00 0.00 C ATOM 1047 O LYS A 75 -9.728 -7.645 4.550 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.118 -6.320 7.052 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.369 -5.672 8.211 1.00 0.00 C ATOM 1050 CD LYS A 75 -6.854 -5.736 8.043 1.00 0.00 C ATOM 1051 CE LYS A 75 -6.335 -4.494 7.340 1.00 0.00 C ATOM 1052 NZ LYS A 75 -4.851 -4.415 7.314 1.00 0.00 N ATOM 0 H LYS A 75 -9.766 -3.962 6.224 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.753 -5.935 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.189 -6.224 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.890 -7.386 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.677 -4.630 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.648 -6.167 9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.379 -5.831 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.585 -6.623 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.712 -4.479 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.731 -3.609 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.556 -3.418 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.462 -4.919 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.495 -4.853 6.440 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.343 -5.609 3.807 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.172 -6.146 2.745 1.00 0.00 C ATOM 1068 C LYS A 76 -10.303 -6.667 1.627 1.00 0.00 C ATOM 1069 O LYS A 76 -10.553 -7.728 1.071 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.124 -5.106 2.174 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.110 -4.534 3.168 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.228 -3.815 2.443 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.760 -2.637 3.226 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.228 -2.484 3.057 1.00 0.00 N ATOM 0 H LYS A 76 -10.331 -4.591 3.867 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.764 -6.950 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.537 -4.289 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.679 -5.555 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.522 -5.334 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.600 -3.844 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.866 -3.470 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.040 -4.515 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.527 -2.767 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.259 -1.726 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.627 -2.016 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.422 -1.908 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.664 -3.421 2.944 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.289 -5.906 1.284 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.368 -6.331 0.262 1.00 0.00 C ATOM 1090 C ILE A 77 -7.169 -6.989 0.908 1.00 0.00 C ATOM 1091 O ILE A 77 -6.429 -6.374 1.677 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.919 -5.162 -0.633 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.124 -4.540 -1.335 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.902 -5.621 -1.663 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.902 -5.529 -2.176 1.00 0.00 C ATOM 0 H ILE A 77 -9.084 -4.996 1.696 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.882 -7.047 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.448 -4.413 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.789 -4.108 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.784 -3.722 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.603 -4.775 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.027 -6.027 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.345 -6.392 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.745 -5.023 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.251 -5.943 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.271 -6.335 -1.542 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.012 -8.255 0.613 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.923 -9.031 1.156 1.00 0.00 C ATOM 1109 C ILE A 78 -4.732 -8.976 0.222 1.00 0.00 C ATOM 1110 O ILE A 78 -4.752 -9.552 -0.864 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.306 -10.509 1.394 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.495 -10.627 2.350 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.114 -11.273 1.942 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.835 -10.363 1.697 1.00 0.00 C ATOM 0 H ILE A 78 -7.632 -8.776 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.674 -8.591 2.122 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.600 -10.941 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.503 -11.628 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.358 -9.925 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.393 -12.314 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.292 -11.227 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.799 -10.828 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.627 -10.466 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.848 -9.352 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.996 -11.081 0.893 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.710 -8.270 0.642 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.486 -8.170 -0.123 1.00 0.00 C ATOM 1128 C CYS A 79 -1.442 -9.098 0.467 1.00 0.00 C ATOM 1129 O CYS A 79 -1.063 -8.977 1.633 1.00 0.00 O ATOM 1130 CB CYS A 79 -1.996 -6.728 -0.134 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.305 -5.539 -0.524 1.00 0.00 S ATOM 0 H CYS A 79 -3.701 -7.750 1.519 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.672 -8.471 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.572 -6.487 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.193 -6.628 -0.864 1.00 0.00 H new ATOM 1136 N THR A 80 -1.001 -10.041 -0.335 1.00 0.00 N ATOM 1137 CA THR A 80 -0.082 -11.062 0.120 1.00 0.00 C ATOM 1138 C THR A 80 1.261 -10.936 -0.583 1.00 0.00 C ATOM 1139 O THR A 80 1.401 -11.331 -1.737 1.00 0.00 O ATOM 1140 CB THR A 80 -0.658 -12.461 -0.144 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.974 -12.565 0.417 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.251 -13.527 0.445 1.00 0.00 C ATOM 0 H THR A 80 -1.267 -10.123 -1.316 1.00 0.00 H new ATOM 0 HA THR A 80 0.062 -10.924 1.192 1.00 0.00 H new ATOM 0 HB THR A 80 -0.721 -12.616 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.334 -13.460 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.171 -14.513 0.250 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.238 -13.457 -0.013 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.339 -13.376 1.521 1.00 0.00 H new ATOM 1150 N CYS A 81 2.250 -10.427 0.119 1.00 0.00 N ATOM 1151 CA CYS A 81 3.556 -10.228 -0.480 1.00 0.00 C ATOM 1152 C CYS A 81 4.309 -11.558 -0.447 1.00 0.00 C ATOM 1153 O CYS A 81 4.143 -12.355 0.481 1.00 0.00 O ATOM 1154 CB CYS A 81 4.334 -9.130 0.257 1.00 0.00 C ATOM 1155 SG CYS A 81 3.371 -7.621 0.629 1.00 0.00 S ATOM 0 H CYS A 81 2.179 -10.145 1.097 1.00 0.00 H new ATOM 0 HA CYS A 81 3.444 -9.899 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.715 -9.540 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.199 -8.852 -0.345 1.00 0.00 H new ATOM 1160 N LYS A 82 5.111 -11.799 -1.476 1.00 0.00 N ATOM 1161 CA LYS A 82 5.698 -13.112 -1.730 1.00 0.00 C ATOM 1162 C LYS A 82 6.870 -13.448 -0.803 1.00 0.00 C ATOM 1163 O LYS A 82 7.212 -12.694 0.107 1.00 0.00 O ATOM 1164 CB LYS A 82 6.156 -13.205 -3.186 1.00 0.00 C ATOM 1165 CG LYS A 82 5.050 -12.972 -4.187 1.00 0.00 C ATOM 1166 CD LYS A 82 3.936 -13.986 -4.048 1.00 0.00 C ATOM 1167 CE LYS A 82 2.707 -13.518 -4.792 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.955 -13.382 -6.253 1.00 0.00 N ATOM 0 H LYS A 82 5.374 -11.090 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 82 4.915 -13.843 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.947 -12.475 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.589 -14.190 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.646 -11.969 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.459 -13.019 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.261 -14.950 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.698 -14.133 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.893 -14.224 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.383 -12.558 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.054 -13.208 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.601 -12.585 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.383 -14.258 -6.615 1.00 0.00 H new ATOM 1182 N GLU A 83 7.470 -14.602 -1.054 1.00 0.00 N ATOM 1183 CA GLU A 83 8.607 -15.102 -0.281 1.00 0.00 C ATOM 1184 C GLU A 83 9.808 -14.130 -0.226 1.00 0.00 C ATOM 1185 O GLU A 83 10.366 -13.921 0.851 1.00 0.00 O ATOM 1186 CB GLU A 83 9.031 -16.450 -0.852 1.00 0.00 C ATOM 1187 CG GLU A 83 7.884 -17.435 -0.906 1.00 0.00 C ATOM 1188 CD GLU A 83 8.237 -18.720 -1.611 1.00 0.00 C ATOM 1189 OE1 GLU A 83 9.049 -19.499 -1.073 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.693 -18.963 -2.710 1.00 0.00 O ATOM 0 H GLU A 83 7.182 -15.227 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 83 8.276 -15.204 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.433 -16.307 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.835 -16.864 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.561 -17.662 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.038 -16.970 -1.413 1.00 0.00 H new ATOM 1197 N PRO A 84 10.224 -13.491 -1.349 1.00 0.00 N ATOM 1198 CA PRO A 84 11.382 -12.595 -1.338 1.00 0.00 C ATOM 1199 C PRO A 84 11.014 -11.226 -0.798 1.00 0.00 C ATOM 1200 O PRO A 84 11.782 -10.267 -0.880 1.00 0.00 O ATOM 1201 CB PRO A 84 11.762 -12.494 -2.804 1.00 0.00 C ATOM 1202 CG PRO A 84 10.480 -12.665 -3.540 1.00 0.00 C ATOM 1203 CD PRO A 84 9.608 -13.550 -2.688 1.00 0.00 C ATOM 0 HA PRO A 84 12.188 -12.962 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.222 -11.532 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.483 -13.264 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.001 -11.701 -3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.652 -13.116 -4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.578 -13.193 -2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.584 -14.571 -3.070 1.00 0.00 H new ATOM 1211 N THR A 85 9.804 -11.152 -0.279 1.00 0.00 N ATOM 1212 CA THR A 85 9.284 -9.944 0.303 1.00 0.00 C ATOM 1213 C THR A 85 8.800 -10.249 1.729 1.00 0.00 C ATOM 1214 O THR A 85 7.606 -10.372 1.995 1.00 0.00 O ATOM 1215 CB THR A 85 8.139 -9.372 -0.579 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.928 -10.081 -0.369 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.475 -9.489 -2.056 1.00 0.00 C ATOM 0 H THR A 85 9.154 -11.938 -0.252 1.00 0.00 H new ATOM 0 HA THR A 85 10.065 -9.185 0.353 1.00 0.00 H new ATOM 0 HB THR A 85 8.024 -8.326 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.058 -10.748 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.656 -9.081 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.388 -8.932 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.622 -10.538 -2.314 1.00 0.00 H new ATOM 1225 N PRO A 86 9.741 -10.395 2.675 1.00 0.00 N ATOM 1226 CA PRO A 86 9.432 -10.776 4.063 1.00 0.00 C ATOM 1227 C PRO A 86 8.611 -9.712 4.774 1.00 0.00 C ATOM 1228 O PRO A 86 8.081 -9.926 5.866 1.00 0.00 O ATOM 1229 CB PRO A 86 10.816 -10.888 4.719 1.00 0.00 C ATOM 1230 CG PRO A 86 11.778 -11.005 3.594 1.00 0.00 C ATOM 1231 CD PRO A 86 11.184 -10.206 2.480 1.00 0.00 C ATOM 0 HA PRO A 86 8.842 -11.691 4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.032 -10.013 5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.871 -11.757 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.759 -10.620 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.916 -12.046 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.466 -9.155 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.511 -10.567 1.505 1.00 0.00 H new ATOM 1239 N ASN A 87 8.508 -8.567 4.126 1.00 0.00 N ATOM 1240 CA ASN A 87 7.890 -7.399 4.702 1.00 0.00 C ATOM 1241 C ASN A 87 6.948 -6.775 3.693 1.00 0.00 C ATOM 1242 O ASN A 87 6.756 -7.311 2.601 1.00 0.00 O ATOM 1243 CB ASN A 87 8.966 -6.393 5.085 1.00 0.00 C ATOM 1244 CG ASN A 87 10.083 -7.008 5.895 1.00 0.00 C ATOM 1245 OD1 ASN A 87 9.979 -7.155 7.111 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.177 -7.334 5.217 1.00 0.00 N ATOM 0 H ASN A 87 8.855 -8.425 3.177 1.00 0.00 H new ATOM 0 HA ASN A 87 7.329 -7.686 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.381 -5.950 4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.513 -5.583 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.982 -7.726 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.213 -7.192 4.208 1.00 0.00 H new ATOM 1253 N ALA A 88 6.396 -5.631 4.040 1.00 0.00 N ATOM 1254 CA ALA A 88 5.507 -4.919 3.144 1.00 0.00 C ATOM 1255 C ALA A 88 5.639 -3.420 3.341 1.00 0.00 C ATOM 1256 O ALA A 88 5.842 -2.945 4.461 1.00 0.00 O ATOM 1257 CB ALA A 88 4.069 -5.355 3.372 1.00 0.00 C ATOM 0 H ALA A 88 6.547 -5.173 4.939 1.00 0.00 H new ATOM 0 HA ALA A 88 5.788 -5.158 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.412 -4.812 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.979 -6.425 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.783 -5.141 4.402 1.00 0.00 H new ATOM 1263 N TYR A 89 5.548 -2.682 2.245 1.00 0.00 N ATOM 1264 CA TYR A 89 5.475 -1.234 2.309 1.00 0.00 C ATOM 1265 C TYR A 89 4.088 -0.889 2.853 1.00 0.00 C ATOM 1266 O TYR A 89 3.083 -1.015 2.145 1.00 0.00 O ATOM 1267 CB TYR A 89 5.681 -0.596 0.916 1.00 0.00 C ATOM 1268 CG TYR A 89 6.856 -1.101 0.100 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.937 -1.763 0.660 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.873 -0.877 -1.267 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.992 -2.178 -0.128 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.910 -1.293 -2.058 1.00 0.00 C ATOM 1273 CZ TYR A 89 8.968 -1.938 -1.492 1.00 0.00 C ATOM 1274 OH TYR A 89 10.015 -2.330 -2.285 1.00 0.00 O ATOM 0 H TYR A 89 5.523 -3.065 1.300 1.00 0.00 H new ATOM 0 HA TYR A 89 6.264 -0.842 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.772 -0.750 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.797 0.480 1.049 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.954 -1.956 1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.043 -0.358 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.833 -2.688 0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.889 -1.111 -3.122 1.00 0.00 H new ATOM 0 HH TYR A 89 9.831 -2.083 -3.215 1.00 0.00 H new ATOM 1284 N TYR A 90 4.042 -0.502 4.123 1.00 0.00 N ATOM 1285 CA TYR A 90 2.789 -0.328 4.861 1.00 0.00 C ATOM 1286 C TYR A 90 2.089 -1.671 5.065 1.00 0.00 C ATOM 1287 O TYR A 90 2.674 -2.593 5.632 1.00 0.00 O ATOM 1288 CB TYR A 90 1.858 0.710 4.209 1.00 0.00 C ATOM 1289 CG TYR A 90 1.349 1.720 5.208 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.387 1.379 6.152 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.846 3.009 5.220 1.00 0.00 C ATOM 1292 CE1 TYR A 90 -0.063 2.304 7.076 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.409 3.936 6.141 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.452 3.582 7.067 1.00 0.00 C ATOM 1295 OH TYR A 90 0.012 4.508 7.985 1.00 0.00 O ATOM 0 H TYR A 90 4.875 -0.298 4.675 1.00 0.00 H new ATOM 0 HA TYR A 90 3.045 0.072 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.393 1.226 3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.013 0.199 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.015 0.377 6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.592 3.296 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.814 2.026 7.801 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.815 4.937 6.137 1.00 0.00 H new ATOM 0 HH TYR A 90 0.478 5.358 7.841 1.00 0.00 H new ATOM 1305 N GLU A 91 0.853 -1.794 4.608 1.00 0.00 N ATOM 1306 CA GLU A 91 0.051 -2.979 4.915 1.00 0.00 C ATOM 1307 C GLU A 91 0.152 -4.055 3.833 1.00 0.00 C ATOM 1308 O GLU A 91 -0.457 -5.118 3.953 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.418 -2.601 5.088 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.647 -1.343 5.895 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.062 -1.265 6.426 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.374 -2.001 7.387 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.864 -0.483 5.882 1.00 0.00 O ATOM 0 H GLU A 91 0.383 -1.099 4.029 1.00 0.00 H new ATOM 0 HA GLU A 91 0.453 -3.387 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.866 -2.473 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.939 -3.428 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.944 -1.312 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.443 -0.471 5.274 1.00 0.00 H new ATOM 1320 N GLY A 92 0.920 -3.788 2.792 1.00 0.00 N ATOM 1321 CA GLY A 92 0.924 -4.666 1.632 1.00 0.00 C ATOM 1322 C GLY A 92 0.500 -3.907 0.400 1.00 0.00 C ATOM 1323 O GLY A 92 0.372 -4.470 -0.689 1.00 0.00 O ATOM 0 H GLY A 92 1.542 -2.982 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.921 -5.082 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.249 -5.505 1.800 1.00 0.00 H new ATOM 1327 N VAL A 93 0.268 -2.611 0.600 1.00 0.00 N ATOM 1328 CA VAL A 93 -0.059 -1.694 -0.476 1.00 0.00 C ATOM 1329 C VAL A 93 1.034 -1.738 -1.536 1.00 0.00 C ATOM 1330 O VAL A 93 0.792 -1.544 -2.727 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.196 -0.250 0.076 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.721 0.685 -0.985 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.087 -0.215 1.313 1.00 0.00 C ATOM 0 H VAL A 93 0.303 -2.171 1.520 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.008 -1.993 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 93 0.798 0.089 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.808 1.690 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.034 0.698 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.701 0.343 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.164 0.810 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.080 -0.585 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.655 -0.845 2.091 1.00 0.00 H new ATOM 1343 N PHE A 94 2.246 -1.975 -1.063 1.00 0.00 N ATOM 1344 CA PHE A 94 3.389 -2.218 -1.909 1.00 0.00 C ATOM 1345 C PHE A 94 4.353 -3.150 -1.157 1.00 0.00 C ATOM 1346 O PHE A 94 4.285 -3.223 0.063 1.00 0.00 O ATOM 1347 CB PHE A 94 4.098 -0.909 -2.380 1.00 0.00 C ATOM 1348 CG PHE A 94 3.859 0.423 -1.645 1.00 0.00 C ATOM 1349 CD1 PHE A 94 2.955 0.593 -0.597 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.589 1.534 -2.045 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.791 1.820 0.020 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.425 2.762 -1.432 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.526 2.905 -0.398 1.00 0.00 C ATOM 0 H PHE A 94 2.460 -2.003 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 94 3.046 -2.694 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.171 -1.100 -2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.824 -0.753 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.371 -0.251 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.300 1.437 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.085 1.926 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.003 3.611 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.399 3.864 0.082 1.00 0.00 H new ATOM 1363 N CYS A 95 5.207 -3.903 -1.862 1.00 0.00 N ATOM 1364 CA CYS A 95 6.156 -4.817 -1.191 1.00 0.00 C ATOM 1365 C CYS A 95 7.479 -4.882 -1.970 1.00 0.00 C ATOM 1366 O CYS A 95 7.514 -4.576 -3.160 1.00 0.00 O ATOM 1367 CB CYS A 95 5.573 -6.240 -1.040 1.00 0.00 C ATOM 1368 SG CYS A 95 3.752 -6.328 -0.902 1.00 0.00 S ATOM 0 H CYS A 95 5.265 -3.903 -2.880 1.00 0.00 H new ATOM 0 HA CYS A 95 6.339 -4.418 -0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.885 -6.836 -1.898 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.011 -6.702 -0.155 1.00 0.00 H new ATOM 1373 N SER A 96 8.566 -5.278 -1.293 1.00 0.00 N ATOM 1374 CA SER A 96 9.904 -5.307 -1.907 1.00 0.00 C ATOM 1375 C SER A 96 10.366 -6.726 -2.152 1.00 0.00 C ATOM 1376 O SER A 96 10.495 -7.503 -1.210 1.00 0.00 O ATOM 1377 CB SER A 96 10.937 -4.643 -0.997 1.00 0.00 C ATOM 1378 OG SER A 96 12.195 -4.524 -1.639 1.00 0.00 O ATOM 0 H SER A 96 8.546 -5.583 -0.320 1.00 0.00 H new ATOM 0 HA SER A 96 9.823 -4.769 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.583 -3.655 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.047 -5.227 -0.083 1.00 0.00 H new ATOM 0 HG SER A 96 12.833 -4.094 -1.032 1.00 0.00 H new ATOM 1384 N SER A 97 10.669 -7.045 -3.400 1.00 0.00 N ATOM 1385 CA SER A 97 11.145 -8.371 -3.742 1.00 0.00 C ATOM 1386 C SER A 97 12.631 -8.366 -4.062 1.00 0.00 C ATOM 1387 O SER A 97 13.041 -8.463 -5.220 1.00 0.00 O ATOM 1388 CB SER A 97 10.338 -8.937 -4.898 1.00 0.00 C ATOM 1389 OG SER A 97 9.873 -7.902 -5.756 1.00 0.00 O ATOM 0 H SER A 97 10.593 -6.404 -4.190 1.00 0.00 H new ATOM 0 HA SER A 97 11.006 -9.015 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.952 -9.636 -5.466 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.489 -9.501 -4.511 1.00 0.00 H new ATOM 0 HG SER A 97 9.358 -8.294 -6.492 1.00 0.00 H new ATOM 1395 N SER A 98 13.422 -8.285 -3.010 1.00 0.00 N ATOM 1396 CA SER A 98 14.877 -8.229 -3.119 1.00 0.00 C ATOM 1397 C SER A 98 15.500 -8.101 -1.732 1.00 0.00 C ATOM 1398 O SER A 98 16.270 -7.179 -1.465 1.00 0.00 O ATOM 1399 CB SER A 98 15.310 -7.047 -4.002 1.00 0.00 C ATOM 1400 OG SER A 98 16.712 -7.053 -4.224 1.00 0.00 O ATOM 0 H SER A 98 13.078 -8.256 -2.050 1.00 0.00 H new ATOM 0 HA SER A 98 15.225 -9.152 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.788 -7.095 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.019 -6.110 -3.527 1.00 0.00 H new ATOM 0 HG SER A 98 17.179 -6.953 -3.368 1.00 0.00 H new ATOM 1406 N SER A 99 15.162 -9.024 -0.848 1.00 0.00 N ATOM 1407 CA SER A 99 15.650 -8.975 0.520 1.00 0.00 C ATOM 1408 C SER A 99 16.808 -9.949 0.723 1.00 0.00 C ATOM 1409 O SER A 99 16.580 -11.177 0.659 1.00 0.00 O ATOM 1410 CB SER A 99 14.501 -9.267 1.485 1.00 0.00 C ATOM 1411 OG SER A 99 13.851 -10.478 1.148 1.00 0.00 O ATOM 1412 OXT SER A 99 17.946 -9.481 0.945 1.00 0.00 O ATOM 0 H SER A 99 14.552 -9.816 -1.052 1.00 0.00 H new ATOM 0 HA SER A 99 16.031 -7.975 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.883 -9.327 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.784 -8.446 1.461 1.00 0.00 H new ATOM 0 HG SER A 99 13.230 -10.321 0.406 1.00 0.00 H new