USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot -151:sc= -1.75 USER MOD Set 1.2: A 102 CYS SG : rot 179:sc= 0.758 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -150:sc= 1.43 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -2.25 K(o=-4.4,f=-9.4) USER MOD Set 1.5: A 116 HIS : no HE2:sc= -1.65 X(o=-4.4,f=-4.6!) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -0.891 K(o=-4.4,f=-8.5!) USER MOD Set 2.1: A 69 CYS SG : rot 98:sc= 2.37 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 178:sc= 0.209 (180deg=0) USER MOD Set 2.3: A 71 THR OG1 : rot 69:sc= 0.69 USER MOD Set 2.4: A 72 CYS SG : rot -56:sc= 0.12 USER MOD Set 2.5: A 85 HIS : no HD1:sc= -0.345 K(o=2.7,f=1.1) USER MOD Set 2.6: A 89 HIS : no HD1:sc= -0.364 K(o=2.7,f=0.5) USER MOD Set 3.1: A 39 CYS SG : rot 70:sc= 1.26 USER MOD Set 3.2: A 57 HIS :FLIP no HE2:sc= -2.04 F(o=-3.8,f=-0.42) USER MOD Set 3.3: A 58 GLN : amide:sc= 1.27 K(o=-0.42,f=-2.4) USER MOD Set 3.4: A 61 HIS : no HE2:sc= -0.911 K(o=-0.42,f=-6.7!) USER MOD Set 4.1: A 51 SER OG : rot 180:sc= 0.012 USER MOD Set 4.2: A 55 LYS NZ :NH3+ 150:sc= -0.0187 (180deg=-1.41!) USER MOD Set 5.1: A 9 CYS SG : rot 49:sc= 0.0985 USER MOD Set 5.2: A 14 CYS SG : rot -154:sc= 1.52 USER MOD Set 5.3: A 16 LYS NZ :NH3+ 129:sc= 1.42 (180deg=-0.402) USER MOD Set 5.4: A 18 TYR OH : rot 180:sc= -0.215 USER MOD Set 5.5: A 27 HIS : no HE2:sc= -1.34 K(o=-0.2,f=-2.9) USER MOD Set 5.6: A 31 HIS : no HE2:sc= -1.69 K(o=-0.2,f=-3.5!) USER MOD Single : A 8 MET CE :methyl -128:sc= 0 (180deg=-0.132) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.02 K(o=1,f=-0.91) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0406) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -3.54! C(o=-3.5!,f=-6.8!) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.72!,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0107) USER MOD Single : A 32 THR OG1 : rot -42:sc= 0.153 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.18 K(o=1.2,f=-0.027) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.942 K(o=0.94,f=-7.1!) USER MOD Single : A 62 THR OG1 : rot -68:sc= -0.176 USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0915) USER MOD Single : A 68 GLN : amide:sc= 1.18 K(o=1.2,f=-0.00074) USER MOD Single : A 73 GLN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.011 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00075 USER MOD Single : A 81 HIS : no HD1:sc= -0.596 K(o=-0.6,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 86 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.63 K(o=1.6,f=-3.2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00592 USER MOD Single : A 117 ASN : amide:sc= 0.996 K(o=1,f=-0.055) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 8.815 21.115 -4.881 1.00 0.00 N ATOM 98 CA PHE A 7 8.418 20.083 -3.907 1.00 0.00 C ATOM 99 C PHE A 7 9.602 19.200 -3.526 1.00 0.00 C ATOM 100 O PHE A 7 10.550 19.089 -4.271 1.00 0.00 O ATOM 101 CB PHE A 7 7.296 19.208 -4.508 1.00 0.00 C ATOM 102 CG PHE A 7 6.118 20.008 -5.046 1.00 0.00 C ATOM 103 CD1 PHE A 7 5.126 20.499 -4.176 1.00 0.00 C ATOM 104 CD2 PHE A 7 6.085 20.374 -6.404 1.00 0.00 C ATOM 105 CE1 PHE A 7 4.127 21.368 -4.658 1.00 0.00 C ATOM 106 CE2 PHE A 7 5.092 21.248 -6.881 1.00 0.00 C ATOM 107 CZ PHE A 7 4.128 21.764 -6.004 1.00 0.00 C ATOM 0 HA PHE A 7 8.059 20.583 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.711 18.603 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.937 18.518 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.131 20.209 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.827 19.981 -7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.359 21.730 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.072 21.522 -7.925 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.388 22.464 -6.363 1.00 0.00 H new ATOM 117 N MET A 8 9.594 18.671 -2.302 1.00 0.00 N ATOM 118 CA MET A 8 10.558 17.625 -1.910 1.00 0.00 C ATOM 119 C MET A 8 9.867 16.516 -1.126 1.00 0.00 C ATOM 120 O MET A 8 8.839 16.741 -0.483 1.00 0.00 O ATOM 121 CB MET A 8 11.713 18.213 -1.086 1.00 0.00 C ATOM 122 CG MET A 8 11.301 18.798 0.272 1.00 0.00 C ATOM 123 SD MET A 8 12.681 19.474 1.237 1.00 0.00 S ATOM 124 CE MET A 8 13.521 17.939 1.713 1.00 0.00 C ATOM 0 H MET A 8 8.941 18.941 -1.567 1.00 0.00 H new ATOM 0 HA MET A 8 10.971 17.201 -2.825 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.456 17.433 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.197 18.995 -1.671 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.566 19.586 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.810 18.020 0.857 1.00 0.00 H new ATOM 0 HE1 MET A 8 13.675 17.928 2.792 1.00 0.00 H new ATOM 0 HE2 MET A 8 12.908 17.085 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.485 17.880 1.208 1.00 0.00 H new ATOM 134 N CYS A 9 10.474 15.335 -1.144 1.00 0.00 N ATOM 135 CA CYS A 9 10.010 14.205 -0.337 1.00 0.00 C ATOM 136 C CYS A 9 10.218 14.489 1.176 1.00 0.00 C ATOM 137 O CYS A 9 11.103 15.267 1.564 1.00 0.00 O ATOM 138 CB CYS A 9 10.773 12.938 -0.746 1.00 0.00 C ATOM 139 SG CYS A 9 10.573 11.588 0.435 1.00 0.00 S ATOM 0 H CYS A 9 11.296 15.131 -1.713 1.00 0.00 H new ATOM 0 HA CYS A 9 8.944 14.060 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.426 12.611 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 9 11.833 13.174 -0.845 1.00 0.00 H new ATOM 0 HG CYS A 9 9.312 11.435 0.709 1.00 0.00 H new ATOM 144 N ALA A 10 9.389 13.854 2.018 1.00 0.00 N ATOM 145 CA ALA A 10 9.430 14.067 3.469 1.00 0.00 C ATOM 146 C ALA A 10 9.958 12.816 4.220 1.00 0.00 C ATOM 147 O ALA A 10 10.246 12.889 5.415 1.00 0.00 O ATOM 148 CB ALA A 10 8.030 14.419 3.972 1.00 0.00 C ATOM 0 H ALA A 10 8.680 13.186 1.715 1.00 0.00 H new ATOM 0 HA ALA A 10 10.118 14.889 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.060 14.577 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.685 15.329 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.345 13.602 3.744 1.00 0.00 H new ATOM 154 N TYR A 11 10.098 11.681 3.511 1.00 0.00 N ATOM 155 CA TYR A 11 10.597 10.445 4.129 1.00 0.00 C ATOM 156 C TYR A 11 12.090 10.603 4.513 1.00 0.00 C ATOM 157 O TYR A 11 12.917 10.953 3.665 1.00 0.00 O ATOM 158 CB TYR A 11 10.422 9.265 3.170 1.00 0.00 C ATOM 159 CG TYR A 11 10.542 7.908 3.852 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.612 7.515 4.839 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.592 7.037 3.508 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.766 6.282 5.505 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.723 5.790 4.137 1.00 0.00 C ATOM 164 CZ TYR A 11 10.829 5.419 5.157 1.00 0.00 C ATOM 165 OH TYR A 11 11.014 4.242 5.810 1.00 0.00 O ATOM 0 H TYR A 11 9.874 11.597 2.519 1.00 0.00 H new ATOM 0 HA TYR A 11 10.021 10.250 5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.446 9.337 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.170 9.334 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.781 8.160 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.305 7.332 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.071 5.997 6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.511 5.115 3.838 1.00 0.00 H new ATOM 0 HH TYR A 11 11.793 3.779 5.436 1.00 0.00 H new ATOM 175 N PRO A 12 12.431 10.413 5.820 1.00 0.00 N ATOM 176 CA PRO A 12 13.771 10.710 6.350 1.00 0.00 C ATOM 177 C PRO A 12 14.838 9.712 5.853 1.00 0.00 C ATOM 178 O PRO A 12 15.316 8.862 6.605 1.00 0.00 O ATOM 179 CB PRO A 12 13.589 10.622 7.878 1.00 0.00 C ATOM 180 CG PRO A 12 12.421 9.655 8.065 1.00 0.00 C ATOM 181 CD PRO A 12 11.522 9.983 6.875 1.00 0.00 C ATOM 0 HA PRO A 12 14.133 11.683 6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.492 10.254 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.370 11.599 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.749 8.616 8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.911 9.815 9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.943 9.112 6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.808 10.768 7.125 1.00 0.00 H new ATOM 189 N GLY A 13 15.173 9.820 4.572 1.00 0.00 N ATOM 190 CA GLY A 13 16.120 8.904 3.938 1.00 0.00 C ATOM 191 C GLY A 13 16.152 9.097 2.414 1.00 0.00 C ATOM 192 O GLY A 13 17.157 8.807 1.766 1.00 0.00 O ATOM 0 H GLY A 13 14.802 10.536 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.117 9.067 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.845 7.875 4.170 1.00 0.00 H new ATOM 196 N CYS A 14 15.055 9.656 1.866 1.00 0.00 N ATOM 197 CA CYS A 14 14.989 10.051 0.461 1.00 0.00 C ATOM 198 C CYS A 14 15.114 11.582 0.335 1.00 0.00 C ATOM 199 O CYS A 14 16.178 12.097 -0.015 1.00 0.00 O ATOM 200 CB CYS A 14 13.658 9.579 -0.141 1.00 0.00 C ATOM 201 SG CYS A 14 13.346 10.293 -1.780 1.00 0.00 S ATOM 0 H CYS A 14 14.199 9.842 2.388 1.00 0.00 H new ATOM 0 HA CYS A 14 15.813 9.589 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.662 8.492 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.843 9.849 0.531 1.00 0.00 H new ATOM 0 HG CYS A 14 12.065 10.339 -1.997 1.00 0.00 H new ATOM 206 N ASN A 15 14.027 12.300 0.690 1.00 0.00 N ATOM 207 CA ASN A 15 14.008 13.775 0.686 1.00 0.00 C ATOM 208 C ASN A 15 14.565 14.345 -0.645 1.00 0.00 C ATOM 209 O ASN A 15 15.249 15.373 -0.660 1.00 0.00 O ATOM 210 CB ASN A 15 14.823 14.313 1.884 1.00 0.00 C ATOM 211 CG ASN A 15 14.210 13.932 3.225 1.00 0.00 C ATOM 212 OD1 ASN A 15 14.864 13.373 4.094 1.00 0.00 O ATOM 213 ND2 ASN A 15 12.949 14.252 3.455 1.00 0.00 N ATOM 0 H ASN A 15 13.147 11.877 0.984 1.00 0.00 H new ATOM 0 HA ASN A 15 12.972 14.103 0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.840 13.926 1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.891 15.399 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.523 14.033 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.401 14.718 2.732 1.00 0.00 H new ATOM 220 N LYS A 16 14.177 13.716 -1.764 1.00 0.00 N ATOM 221 CA LYS A 16 14.538 14.207 -3.098 1.00 0.00 C ATOM 222 C LYS A 16 13.592 15.302 -3.536 1.00 0.00 C ATOM 223 O LYS A 16 12.480 15.407 -3.029 1.00 0.00 O ATOM 224 CB LYS A 16 14.494 13.048 -4.110 1.00 0.00 C ATOM 225 CG LYS A 16 15.624 12.040 -3.849 1.00 0.00 C ATOM 226 CD LYS A 16 15.397 10.736 -4.629 1.00 0.00 C ATOM 227 CE LYS A 16 16.358 9.621 -4.195 1.00 0.00 C ATOM 228 NZ LYS A 16 16.177 9.271 -2.771 1.00 0.00 N ATOM 0 H LYS A 16 13.613 12.866 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 16 15.548 14.615 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.530 12.543 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.581 13.442 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.579 12.478 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.682 11.823 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.369 10.403 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.523 10.926 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.193 8.737 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.386 9.940 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.061 8.242 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.011 9.575 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.331 9.749 -2.401 1.00 0.00 H new ATOM 242 N ARG A 17 14.043 16.138 -4.476 1.00 0.00 N ATOM 243 CA ARG A 17 13.275 17.307 -4.886 1.00 0.00 C ATOM 244 C ARG A 17 12.494 17.036 -6.178 1.00 0.00 C ATOM 245 O ARG A 17 13.061 16.629 -7.190 1.00 0.00 O ATOM 246 CB ARG A 17 14.214 18.507 -5.092 1.00 0.00 C ATOM 247 CG ARG A 17 14.860 18.975 -3.780 1.00 0.00 C ATOM 248 CD ARG A 17 15.737 20.209 -4.017 1.00 0.00 C ATOM 249 NE ARG A 17 16.358 20.666 -2.764 1.00 0.00 N ATOM 250 CZ ARG A 17 17.228 21.662 -2.631 1.00 0.00 C ATOM 251 NH1 ARG A 17 17.638 22.383 -3.652 1.00 0.00 N ATOM 252 NH2 ARG A 17 17.713 21.957 -1.446 1.00 0.00 N ATOM 0 H ARG A 17 14.932 16.024 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 17 12.560 17.533 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.995 18.236 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.654 19.332 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.085 19.209 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.462 18.170 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.512 19.973 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.134 21.012 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 17 16.095 20.169 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.287 22.186 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.307 23.139 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.422 21.422 -0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.381 22.721 -1.344 1.00 0.00 H new ATOM 266 N TYR A 18 11.196 17.304 -6.121 1.00 0.00 N ATOM 267 CA TYR A 18 10.287 17.130 -7.228 1.00 0.00 C ATOM 268 C TYR A 18 9.787 18.499 -7.736 1.00 0.00 C ATOM 269 O TYR A 18 10.008 19.537 -7.095 1.00 0.00 O ATOM 270 CB TYR A 18 9.095 16.290 -6.761 1.00 0.00 C ATOM 271 CG TYR A 18 9.462 14.859 -6.428 1.00 0.00 C ATOM 272 CD1 TYR A 18 10.088 14.544 -5.205 1.00 0.00 C ATOM 273 CD2 TYR A 18 9.253 13.847 -7.378 1.00 0.00 C ATOM 274 CE1 TYR A 18 10.574 13.245 -4.972 1.00 0.00 C ATOM 275 CE2 TYR A 18 9.804 12.570 -7.180 1.00 0.00 C ATOM 276 CZ TYR A 18 10.516 12.285 -5.998 1.00 0.00 C ATOM 277 OH TYR A 18 11.165 11.100 -5.852 1.00 0.00 O ATOM 0 H TYR A 18 10.742 17.657 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 18 10.806 16.626 -8.044 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.652 16.758 -5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.332 16.290 -7.540 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.195 15.303 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 18 8.668 14.050 -8.263 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.990 12.986 -4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.682 11.806 -7.934 1.00 0.00 H new ATOM 0 HH TYR A 18 11.024 10.549 -6.650 1.00 0.00 H new ATOM 287 N PHE A 19 9.103 18.489 -8.886 1.00 0.00 N ATOM 288 CA PHE A 19 8.662 19.729 -9.535 1.00 0.00 C ATOM 289 C PHE A 19 7.132 19.751 -9.737 1.00 0.00 C ATOM 290 O PHE A 19 6.532 20.822 -9.812 1.00 0.00 O ATOM 291 CB PHE A 19 9.360 19.873 -10.888 1.00 0.00 C ATOM 292 CG PHE A 19 10.870 19.987 -10.772 1.00 0.00 C ATOM 293 CD1 PHE A 19 11.461 21.242 -10.528 1.00 0.00 C ATOM 294 CD2 PHE A 19 11.681 18.840 -10.867 1.00 0.00 C ATOM 295 CE1 PHE A 19 12.857 21.350 -10.391 1.00 0.00 C ATOM 296 CE2 PHE A 19 13.075 18.947 -10.721 1.00 0.00 C ATOM 297 CZ PHE A 19 13.664 20.203 -10.486 1.00 0.00 C ATOM 0 H PHE A 19 8.843 17.638 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 19 8.927 20.563 -8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.114 19.013 -11.510 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.973 20.756 -11.397 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.841 22.123 -10.446 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.231 17.876 -11.052 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.309 22.315 -10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.694 18.065 -10.789 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.735 20.286 -10.379 1.00 0.00 H new ATOM 307 N LYS A 20 6.514 18.564 -9.836 1.00 0.00 N ATOM 308 CA LYS A 20 5.051 18.447 -9.982 1.00 0.00 C ATOM 309 C LYS A 20 4.432 17.895 -8.699 1.00 0.00 C ATOM 310 O LYS A 20 4.778 16.809 -8.255 1.00 0.00 O ATOM 311 CB LYS A 20 4.717 17.515 -11.166 1.00 0.00 C ATOM 312 CG LYS A 20 4.751 18.304 -12.484 1.00 0.00 C ATOM 313 CD LYS A 20 4.502 17.420 -13.718 1.00 0.00 C ATOM 314 CE LYS A 20 5.587 16.360 -13.959 1.00 0.00 C ATOM 315 NZ LYS A 20 6.906 16.969 -14.227 1.00 0.00 N ATOM 0 H LYS A 20 7.004 17.669 -9.818 1.00 0.00 H new ATOM 0 HA LYS A 20 4.637 19.437 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.433 16.694 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.731 17.072 -11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.998 19.091 -12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.720 18.793 -12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.540 16.920 -13.606 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.429 18.057 -14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.658 15.710 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.299 15.732 -14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.586 16.225 -14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.822 17.647 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.239 17.464 -13.375 1.00 0.00 H new ATOM 329 N LEU A 21 3.489 18.639 -8.123 1.00 0.00 N ATOM 330 CA LEU A 21 2.866 18.251 -6.852 1.00 0.00 C ATOM 331 C LEU A 21 2.350 16.795 -6.906 1.00 0.00 C ATOM 332 O LEU A 21 2.583 16.015 -5.987 1.00 0.00 O ATOM 333 CB LEU A 21 1.709 19.214 -6.507 1.00 0.00 C ATOM 334 CG LEU A 21 0.465 19.401 -7.397 1.00 0.00 C ATOM 335 CD1 LEU A 21 -0.410 20.460 -6.717 1.00 0.00 C ATOM 336 CD2 LEU A 21 0.762 19.883 -8.822 1.00 0.00 C ATOM 0 H LEU A 21 3.138 19.513 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 21 3.624 18.313 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.342 18.914 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.156 20.202 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.010 18.425 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.307 20.628 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.694 20.114 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.148 21.392 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.173 19.986 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.268 20.848 -8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.402 19.158 -9.325 1.00 0.00 H new ATOM 348 N SER A 22 1.609 16.461 -7.964 1.00 0.00 N ATOM 349 CA SER A 22 1.033 15.116 -8.123 1.00 0.00 C ATOM 350 C SER A 22 2.112 14.056 -8.367 1.00 0.00 C ATOM 351 O SER A 22 1.991 12.931 -7.902 1.00 0.00 O ATOM 352 CB SER A 22 0.046 15.108 -9.285 1.00 0.00 C ATOM 353 OG SER A 22 -0.861 16.189 -9.169 1.00 0.00 O ATOM 0 H SER A 22 1.391 17.102 -8.727 1.00 0.00 H new ATOM 0 HA SER A 22 0.521 14.868 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.586 15.177 -10.229 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.501 14.166 -9.299 1.00 0.00 H new ATOM 0 HG SER A 22 -1.488 16.173 -9.922 1.00 0.00 H new ATOM 359 N HIS A 23 3.159 14.421 -9.116 1.00 0.00 N ATOM 360 CA HIS A 23 4.249 13.482 -9.430 1.00 0.00 C ATOM 361 C HIS A 23 5.096 13.204 -8.169 1.00 0.00 C ATOM 362 O HIS A 23 5.544 12.076 -7.946 1.00 0.00 O ATOM 363 CB HIS A 23 5.128 14.050 -10.587 1.00 0.00 C ATOM 364 CG HIS A 23 6.575 14.520 -10.497 1.00 0.00 C ATOM 365 ND1 HIS A 23 7.507 14.306 -11.492 1.00 0.00 N ATOM 366 CD2 HIS A 23 7.121 15.457 -9.664 1.00 0.00 C ATOM 367 CE1 HIS A 23 8.564 15.108 -11.267 1.00 0.00 C ATOM 368 NE2 HIS A 23 8.361 15.852 -10.172 1.00 0.00 N ATOM 0 H HIS A 23 3.277 15.352 -9.515 1.00 0.00 H new ATOM 0 HA HIS A 23 3.821 12.536 -9.762 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.122 13.280 -11.359 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.572 14.901 -10.981 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.411 13.650 -12.267 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.667 15.832 -8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.451 15.146 -11.882 1.00 0.00 H new ATOM 376 N LEU A 24 5.151 14.197 -7.277 1.00 0.00 N ATOM 377 CA LEU A 24 5.722 14.004 -5.954 1.00 0.00 C ATOM 378 C LEU A 24 4.777 13.165 -5.060 1.00 0.00 C ATOM 379 O LEU A 24 5.213 12.235 -4.389 1.00 0.00 O ATOM 380 CB LEU A 24 6.011 15.355 -5.301 1.00 0.00 C ATOM 381 CG LEU A 24 6.763 15.352 -3.940 1.00 0.00 C ATOM 382 CD1 LEU A 24 5.826 15.798 -2.817 1.00 0.00 C ATOM 383 CD2 LEU A 24 7.440 14.042 -3.503 1.00 0.00 C ATOM 0 H LEU A 24 4.805 15.140 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 24 6.659 13.458 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.593 15.950 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.060 15.869 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 24 7.582 16.049 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.365 15.791 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.466 16.806 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.979 15.115 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.924 14.187 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.690 13.256 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.186 13.753 -4.243 1.00 0.00 H new ATOM 395 N GLN A 25 3.477 13.469 -5.102 1.00 0.00 N ATOM 396 CA GLN A 25 2.478 12.687 -4.359 1.00 0.00 C ATOM 397 C GLN A 25 2.516 11.208 -4.789 1.00 0.00 C ATOM 398 O GLN A 25 2.442 10.312 -3.950 1.00 0.00 O ATOM 399 CB GLN A 25 1.075 13.265 -4.600 1.00 0.00 C ATOM 400 CG GLN A 25 0.828 14.417 -3.611 1.00 0.00 C ATOM 401 CD GLN A 25 -0.345 15.278 -4.041 1.00 0.00 C ATOM 402 OE1 GLN A 25 -0.112 16.181 -4.967 1.00 0.00 O flip ATOM 403 NE2 GLN A 25 -1.462 15.150 -3.569 1.00 0.00 N flip ATOM 0 H GLN A 25 3.091 14.246 -5.638 1.00 0.00 H new ATOM 0 HA GLN A 25 2.714 12.746 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.988 13.624 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.321 12.489 -4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.637 14.010 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.724 15.033 -3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.635 14.447 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.224 15.746 -3.893 1.00 0.00 H new ATOM 412 N MET A 26 2.711 10.968 -6.097 1.00 0.00 N ATOM 413 CA MET A 26 2.886 9.611 -6.618 1.00 0.00 C ATOM 414 C MET A 26 4.170 8.978 -6.063 1.00 0.00 C ATOM 415 O MET A 26 4.141 7.857 -5.557 1.00 0.00 O ATOM 416 CB MET A 26 2.937 9.630 -8.162 1.00 0.00 C ATOM 417 CG MET A 26 1.826 8.731 -8.722 1.00 0.00 C ATOM 418 SD MET A 26 1.970 6.980 -8.256 1.00 0.00 S ATOM 419 CE MET A 26 0.249 6.437 -8.434 1.00 0.00 C ATOM 0 H MET A 26 2.751 11.698 -6.808 1.00 0.00 H new ATOM 0 HA MET A 26 2.034 9.012 -6.297 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.814 10.649 -8.528 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.910 9.282 -8.509 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.863 9.108 -8.378 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.828 8.806 -9.809 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.173 5.379 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.386 7.016 -7.764 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.076 6.589 -9.463 1.00 0.00 H new ATOM 429 N HIS A 27 5.271 9.756 -6.036 1.00 0.00 N ATOM 430 CA HIS A 27 6.534 9.276 -5.457 1.00 0.00 C ATOM 431 C HIS A 27 6.324 8.867 -3.989 1.00 0.00 C ATOM 432 O HIS A 27 6.761 7.791 -3.565 1.00 0.00 O ATOM 433 CB HIS A 27 7.617 10.382 -5.537 1.00 0.00 C ATOM 434 CG HIS A 27 8.716 10.098 -4.554 1.00 0.00 C ATOM 435 ND1 HIS A 27 9.538 8.987 -4.538 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.952 10.812 -3.415 1.00 0.00 C ATOM 437 CE1 HIS A 27 10.276 9.052 -3.417 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.962 10.158 -2.734 1.00 0.00 N ATOM 0 H HIS A 27 5.308 10.707 -6.404 1.00 0.00 H new ATOM 0 HA HIS A 27 6.867 8.409 -6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.025 10.431 -6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.172 11.354 -5.326 1.00 0.00 H new ATOM 0 HD1 HIS A 27 9.577 8.254 -5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.447 11.715 -3.105 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.011 8.322 -3.114 1.00 0.00 H new ATOM 446 N SER A 28 5.558 9.679 -3.252 1.00 0.00 N ATOM 447 CA SER A 28 5.321 9.443 -1.831 1.00 0.00 C ATOM 448 C SER A 28 4.670 8.081 -1.588 1.00 0.00 C ATOM 449 O SER A 28 4.819 7.519 -0.512 1.00 0.00 O ATOM 450 CB SER A 28 4.436 10.539 -1.257 1.00 0.00 C ATOM 451 OG SER A 28 4.451 10.431 0.156 1.00 0.00 O ATOM 0 H SER A 28 5.092 10.507 -3.622 1.00 0.00 H new ATOM 0 HA SER A 28 6.289 9.453 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.798 11.520 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.418 10.441 -1.634 1.00 0.00 H new ATOM 0 HG SER A 28 3.886 11.132 0.544 1.00 0.00 H new ATOM 457 N ARG A 29 3.907 7.569 -2.574 1.00 0.00 N ATOM 458 CA ARG A 29 3.231 6.260 -2.433 1.00 0.00 C ATOM 459 C ARG A 29 4.249 5.163 -2.090 1.00 0.00 C ATOM 460 O ARG A 29 3.989 4.318 -1.237 1.00 0.00 O ATOM 461 CB ARG A 29 2.495 5.891 -3.736 1.00 0.00 C ATOM 462 CG ARG A 29 1.404 6.873 -4.196 1.00 0.00 C ATOM 463 CD ARG A 29 0.056 6.723 -3.479 1.00 0.00 C ATOM 464 NE ARG A 29 0.110 7.098 -2.053 1.00 0.00 N ATOM 465 CZ ARG A 29 -0.932 7.333 -1.268 1.00 0.00 C ATOM 466 NH1 ARG A 29 -2.160 7.327 -1.736 1.00 0.00 N ATOM 467 NH2 ARG A 29 -0.761 7.586 0.009 1.00 0.00 N ATOM 0 H ARG A 29 3.743 8.034 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 29 2.506 6.338 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.233 5.799 -4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.041 4.909 -3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.766 7.891 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.246 6.743 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.687 7.342 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.280 5.690 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 29 1.035 7.184 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.328 7.138 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.945 7.511 -1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.179 7.603 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.568 7.766 0.606 1.00 0.00 H new ATOM 481 N LYS A 30 5.445 5.238 -2.698 1.00 0.00 N ATOM 482 CA LYS A 30 6.545 4.304 -2.379 1.00 0.00 C ATOM 483 C LYS A 30 6.878 4.339 -0.869 1.00 0.00 C ATOM 484 O LYS A 30 7.191 3.316 -0.274 1.00 0.00 O ATOM 485 CB LYS A 30 7.796 4.684 -3.201 1.00 0.00 C ATOM 486 CG LYS A 30 9.007 3.744 -3.093 1.00 0.00 C ATOM 487 CD LYS A 30 10.008 4.161 -2.000 1.00 0.00 C ATOM 488 CE LYS A 30 11.334 3.401 -2.114 1.00 0.00 C ATOM 489 NZ LYS A 30 11.156 1.945 -1.942 1.00 0.00 N ATOM 0 H LYS A 30 5.677 5.931 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 30 6.229 3.293 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.507 4.747 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.112 5.682 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.656 2.733 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.521 3.714 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.197 5.232 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.570 3.979 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.782 3.599 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.030 3.772 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.082 1.474 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.721 1.755 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.540 1.579 -2.696 1.00 0.00 H new ATOM 503 N HIS A 31 6.793 5.532 -0.274 1.00 0.00 N ATOM 504 CA HIS A 31 7.109 5.743 1.149 1.00 0.00 C ATOM 505 C HIS A 31 5.860 5.554 2.059 1.00 0.00 C ATOM 506 O HIS A 31 5.989 5.480 3.281 1.00 0.00 O ATOM 507 CB HIS A 31 7.687 7.149 1.351 1.00 0.00 C ATOM 508 CG HIS A 31 9.051 7.311 0.730 1.00 0.00 C ATOM 509 ND1 HIS A 31 10.095 6.422 0.855 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.522 8.413 0.069 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.182 6.998 0.324 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.879 8.193 -0.182 1.00 0.00 N ATOM 0 H HIS A 31 6.504 6.380 -0.761 1.00 0.00 H new ATOM 0 HA HIS A 31 7.845 4.993 1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.006 7.883 0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.750 7.362 2.418 1.00 0.00 H new ATOM 0 HD1 HIS A 31 10.049 5.494 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.952 9.288 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.167 6.555 0.308 1.00 0.00 H new ATOM 520 N THR A 32 4.653 5.584 1.461 1.00 0.00 N ATOM 521 CA THR A 32 3.401 5.638 2.257 1.00 0.00 C ATOM 522 C THR A 32 3.232 4.376 3.125 1.00 0.00 C ATOM 523 O THR A 32 2.476 4.384 4.094 1.00 0.00 O ATOM 524 CB THR A 32 2.168 5.777 1.335 1.00 0.00 C ATOM 525 OG1 THR A 32 1.132 6.461 1.999 1.00 0.00 O ATOM 526 CG2 THR A 32 1.537 4.491 0.790 1.00 0.00 C ATOM 0 H THR A 32 4.514 5.572 0.451 1.00 0.00 H new ATOM 0 HA THR A 32 3.474 6.511 2.906 1.00 0.00 H new ATOM 0 HB THR A 32 2.588 6.308 0.481 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.070 6.143 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.684 4.743 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.274 3.945 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.204 3.869 1.621 1.00 0.00 H new ATOM 592 N TYR A 37 6.951 -1.558 11.647 1.00 0.00 N ATOM 593 CA TYR A 37 6.237 -2.071 12.837 1.00 0.00 C ATOM 594 C TYR A 37 6.663 -3.516 13.118 1.00 0.00 C ATOM 595 O TYR A 37 6.978 -4.250 12.203 1.00 0.00 O ATOM 596 CB TYR A 37 4.717 -2.016 12.617 1.00 0.00 C ATOM 597 CG TYR A 37 4.138 -0.766 11.992 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.027 -0.679 10.594 1.00 0.00 C ATOM 599 CD2 TYR A 37 3.663 0.285 12.804 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.480 0.472 10.004 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.079 1.424 12.217 1.00 0.00 C ATOM 602 CZ TYR A 37 2.986 1.513 10.811 1.00 0.00 C ATOM 603 OH TYR A 37 2.409 2.586 10.216 1.00 0.00 O ATOM 0 HA TYR A 37 6.493 -1.444 13.691 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.439 -2.863 11.990 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.234 -2.162 13.583 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.362 -1.497 9.973 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.747 0.216 13.878 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.438 0.558 8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.705 2.224 12.838 1.00 0.00 H new ATOM 0 HH TYR A 37 2.115 3.222 10.902 1.00 0.00 H new ATOM 613 N GLN A 38 6.658 -3.918 14.390 1.00 0.00 N ATOM 614 CA GLN A 38 7.009 -5.304 14.768 1.00 0.00 C ATOM 615 C GLN A 38 5.981 -5.872 15.747 1.00 0.00 C ATOM 616 O GLN A 38 5.461 -5.148 16.599 1.00 0.00 O ATOM 617 CB GLN A 38 8.410 -5.330 15.415 1.00 0.00 C ATOM 618 CG GLN A 38 9.038 -6.733 15.465 1.00 0.00 C ATOM 619 CD GLN A 38 10.056 -6.894 16.589 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.241 -6.644 16.421 1.00 0.00 O ATOM 621 NE2 GLN A 38 9.611 -7.291 17.769 1.00 0.00 N ATOM 0 H GLN A 38 6.418 -3.315 15.177 1.00 0.00 H new ATOM 0 HA GLN A 38 7.011 -5.919 13.868 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.071 -4.665 14.859 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.340 -4.936 16.429 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.248 -7.474 15.590 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.523 -6.942 14.511 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.620 -7.497 17.898 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.258 -7.391 18.551 1.00 0.00 H new ATOM 630 N CYS A 39 5.755 -7.184 15.669 1.00 0.00 N ATOM 631 CA CYS A 39 4.966 -7.897 16.682 1.00 0.00 C ATOM 632 C CYS A 39 5.697 -7.881 18.044 1.00 0.00 C ATOM 633 O CYS A 39 6.923 -7.746 18.103 1.00 0.00 O ATOM 634 CB CYS A 39 4.732 -9.352 16.240 1.00 0.00 C ATOM 635 SG CYS A 39 3.180 -9.445 15.322 1.00 0.00 S ATOM 0 H CYS A 39 6.106 -7.777 14.917 1.00 0.00 H new ATOM 0 HA CYS A 39 4.005 -7.393 16.789 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.559 -9.694 15.617 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.695 -10.008 17.109 1.00 0.00 H new ATOM 0 HG CYS A 39 3.318 -8.848 14.175 1.00 0.00 H new ATOM 731 N ARG A 46 7.654 -10.691 14.462 1.00 0.00 N ATOM 732 CA ARG A 46 7.859 -10.459 13.031 1.00 0.00 C ATOM 733 C ARG A 46 7.658 -8.991 12.698 1.00 0.00 C ATOM 734 O ARG A 46 6.926 -8.282 13.387 1.00 0.00 O ATOM 735 CB ARG A 46 6.878 -11.321 12.210 1.00 0.00 C ATOM 736 CG ARG A 46 7.379 -12.774 12.116 1.00 0.00 C ATOM 737 CD ARG A 46 6.348 -13.736 11.510 1.00 0.00 C ATOM 738 NE ARG A 46 5.282 -14.010 12.479 1.00 0.00 N ATOM 739 CZ ARG A 46 4.726 -15.157 12.840 1.00 0.00 C ATOM 740 NH1 ARG A 46 4.945 -16.287 12.200 1.00 0.00 N ATOM 741 NH2 ARG A 46 3.918 -15.167 13.872 1.00 0.00 N ATOM 0 HA ARG A 46 8.881 -10.740 12.777 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.892 -11.300 12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.769 -10.903 11.209 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.287 -12.799 11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.649 -13.123 13.113 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.924 -13.303 10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.835 -14.667 11.220 1.00 0.00 H new ATOM 0 HE ARG A 46 4.909 -13.186 12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.565 -16.303 11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.495 -17.147 12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.728 -14.303 14.380 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.479 -16.039 14.167 1.00 0.00 H new ATOM 755 N ARG A 47 8.324 -8.534 11.638 1.00 0.00 N ATOM 756 CA ARG A 47 8.287 -7.130 11.248 1.00 0.00 C ATOM 757 C ARG A 47 7.409 -6.934 9.994 1.00 0.00 C ATOM 758 O ARG A 47 7.364 -7.794 9.114 1.00 0.00 O ATOM 759 CB ARG A 47 9.727 -6.635 10.958 1.00 0.00 C ATOM 760 CG ARG A 47 10.126 -5.274 11.558 1.00 0.00 C ATOM 761 CD ARG A 47 10.812 -4.356 10.538 1.00 0.00 C ATOM 762 NE ARG A 47 9.859 -3.839 9.537 1.00 0.00 N ATOM 763 CZ ARG A 47 10.150 -3.344 8.338 1.00 0.00 C ATOM 764 NH1 ARG A 47 11.373 -3.314 7.856 1.00 0.00 N ATOM 765 NH2 ARG A 47 9.188 -2.838 7.607 1.00 0.00 N ATOM 0 H ARG A 47 8.898 -9.121 11.033 1.00 0.00 H new ATOM 0 HA ARG A 47 7.856 -6.552 12.066 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.425 -7.387 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.857 -6.581 9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.237 -4.778 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.795 -5.436 12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.281 -3.521 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.607 -4.904 10.033 1.00 0.00 H new ATOM 0 HE ARG A 47 8.872 -3.864 9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.148 -3.681 8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.547 -2.924 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.231 -2.827 7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.396 -2.454 6.685 1.00 0.00 H new ATOM 779 N PHE A 48 6.767 -5.770 9.912 1.00 0.00 N ATOM 780 CA PHE A 48 5.919 -5.403 8.778 1.00 0.00 C ATOM 781 C PHE A 48 6.157 -3.936 8.398 1.00 0.00 C ATOM 782 O PHE A 48 6.792 -3.186 9.148 1.00 0.00 O ATOM 783 CB PHE A 48 4.441 -5.611 9.145 1.00 0.00 C ATOM 784 CG PHE A 48 4.142 -7.041 9.537 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.851 -7.992 8.543 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.302 -7.451 10.875 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.756 -9.349 8.885 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.219 -8.811 11.219 1.00 0.00 C ATOM 789 CZ PHE A 48 3.989 -9.759 10.209 1.00 0.00 C ATOM 0 H PHE A 48 6.820 -5.051 10.634 1.00 0.00 H new ATOM 0 HA PHE A 48 6.171 -6.036 7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.177 -4.948 9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.816 -5.331 8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.701 -7.679 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.490 -6.715 11.642 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.504 -10.079 8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.331 -9.123 12.247 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.991 -10.811 10.451 1.00 0.00 H new ATOM 799 N SER A 49 5.699 -3.548 7.203 1.00 0.00 N ATOM 800 CA SER A 49 5.994 -2.215 6.653 1.00 0.00 C ATOM 801 C SER A 49 4.741 -1.317 6.646 1.00 0.00 C ATOM 802 O SER A 49 4.850 -0.087 6.639 1.00 0.00 O ATOM 803 CB SER A 49 6.538 -2.361 5.230 1.00 0.00 C ATOM 804 OG SER A 49 7.251 -1.215 4.849 1.00 0.00 O ATOM 0 H SER A 49 5.124 -4.134 6.598 1.00 0.00 H new ATOM 0 HA SER A 49 6.741 -1.740 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.187 -3.235 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.714 -2.529 4.536 1.00 0.00 H new ATOM 0 HG SER A 49 7.591 -1.330 3.937 1.00 0.00 H new ATOM 810 N ARG A 50 3.552 -1.942 6.709 1.00 0.00 N ATOM 811 CA ARG A 50 2.291 -1.207 6.859 1.00 0.00 C ATOM 812 C ARG A 50 1.588 -1.605 8.158 1.00 0.00 C ATOM 813 O ARG A 50 1.630 -2.770 8.576 1.00 0.00 O ATOM 814 CB ARG A 50 1.364 -1.489 5.662 1.00 0.00 C ATOM 815 CG ARG A 50 1.861 -0.913 4.326 1.00 0.00 C ATOM 816 CD ARG A 50 0.727 -0.585 3.333 1.00 0.00 C ATOM 817 NE ARG A 50 0.120 -1.779 2.708 1.00 0.00 N ATOM 818 CZ ARG A 50 0.071 -2.071 1.404 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.604 -1.293 0.495 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.477 -3.192 1.028 1.00 0.00 N ATOM 0 H ARG A 50 3.442 -2.955 6.658 1.00 0.00 H new ATOM 0 HA ARG A 50 2.519 -0.142 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.244 -2.567 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.378 -1.078 5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.434 -0.007 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.542 -1.627 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.049 -0.024 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.118 0.065 2.550 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.309 -2.454 3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.076 -0.432 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.547 -1.548 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.860 -3.831 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.523 -3.430 0.037 1.00 0.00 H new ATOM 834 N SER A 51 0.895 -0.643 8.765 1.00 0.00 N ATOM 835 CA SER A 51 0.119 -0.898 9.975 1.00 0.00 C ATOM 836 C SER A 51 -0.967 -1.946 9.703 1.00 0.00 C ATOM 837 O SER A 51 -1.221 -2.812 10.532 1.00 0.00 O ATOM 838 CB SER A 51 -0.522 0.398 10.467 1.00 0.00 C ATOM 839 OG SER A 51 -1.084 0.196 11.746 1.00 0.00 O ATOM 0 H SER A 51 0.856 0.322 8.437 1.00 0.00 H new ATOM 0 HA SER A 51 0.790 -1.280 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.225 1.191 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.293 0.722 9.768 1.00 0.00 H new ATOM 0 HG SER A 51 -1.493 1.030 12.059 1.00 0.00 H new ATOM 845 N ASP A 52 -1.558 -1.895 8.496 1.00 0.00 N ATOM 846 CA ASP A 52 -2.590 -2.857 8.089 1.00 0.00 C ATOM 847 C ASP A 52 -2.009 -4.279 7.951 1.00 0.00 C ATOM 848 O ASP A 52 -2.653 -5.250 8.342 1.00 0.00 O ATOM 849 CB ASP A 52 -3.223 -2.421 6.762 1.00 0.00 C ATOM 850 CG ASP A 52 -2.249 -2.091 5.629 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.735 -3.025 4.974 1.00 0.00 O ATOM 852 OD2 ASP A 52 -2.001 -0.881 5.438 1.00 0.00 O ATOM 0 H ASP A 52 -1.336 -1.196 7.787 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.354 -2.877 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.889 -3.214 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.842 -1.544 6.949 1.00 0.00 H new ATOM 857 N GLN A 53 -0.759 -4.387 7.461 1.00 0.00 N ATOM 858 CA GLN A 53 -0.068 -5.681 7.394 1.00 0.00 C ATOM 859 C GLN A 53 0.101 -6.258 8.793 1.00 0.00 C ATOM 860 O GLN A 53 -0.280 -7.398 9.050 1.00 0.00 O ATOM 861 CB GLN A 53 1.315 -5.523 6.743 1.00 0.00 C ATOM 862 CG GLN A 53 1.393 -5.433 5.218 1.00 0.00 C ATOM 863 CD GLN A 53 2.863 -5.301 4.803 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.639 -4.535 5.368 1.00 0.00 O ATOM 865 NE2 GLN A 53 3.315 -6.078 3.837 1.00 0.00 N ATOM 0 H GLN A 53 -0.215 -3.599 7.110 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.672 -6.357 6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.775 -4.624 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.929 -6.367 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.952 -6.321 4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.822 -4.576 4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.681 -6.719 3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.298 -6.038 3.568 1.00 0.00 H new ATOM 874 N LEU A 54 0.639 -5.441 9.713 1.00 0.00 N ATOM 875 CA LEU A 54 0.820 -5.855 11.107 1.00 0.00 C ATOM 876 C LEU A 54 -0.543 -6.205 11.761 1.00 0.00 C ATOM 877 O LEU A 54 -0.661 -7.216 12.446 1.00 0.00 O ATOM 878 CB LEU A 54 1.514 -4.727 11.903 1.00 0.00 C ATOM 879 CG LEU A 54 1.706 -5.004 13.411 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.679 -6.151 13.689 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.258 -3.778 14.145 1.00 0.00 C ATOM 0 H LEU A 54 0.955 -4.492 9.513 1.00 0.00 H new ATOM 0 HA LEU A 54 1.446 -6.747 11.124 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.491 -4.539 11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.931 -3.813 11.790 1.00 0.00 H new ATOM 0 HG LEU A 54 0.711 -5.266 13.770 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.772 -6.297 14.765 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.304 -7.066 13.230 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.656 -5.909 13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.379 -4.011 15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.224 -3.504 13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.564 -2.945 14.035 1.00 0.00 H new ATOM 893 N LYS A 55 -1.569 -5.356 11.526 1.00 0.00 N ATOM 894 CA LYS A 55 -2.923 -5.562 12.113 1.00 0.00 C ATOM 895 C LYS A 55 -3.546 -6.860 11.605 1.00 0.00 C ATOM 896 O LYS A 55 -4.035 -7.663 12.392 1.00 0.00 O ATOM 897 CB LYS A 55 -3.847 -4.373 11.759 1.00 0.00 C ATOM 898 CG LYS A 55 -4.130 -3.411 12.929 1.00 0.00 C ATOM 899 CD LYS A 55 -3.087 -2.312 13.171 1.00 0.00 C ATOM 900 CE LYS A 55 -1.745 -2.843 13.681 1.00 0.00 C ATOM 901 NZ LYS A 55 -0.831 -1.731 14.004 1.00 0.00 N ATOM 0 H LYS A 55 -1.492 -4.526 10.939 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.813 -5.626 13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.395 -3.809 10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.795 -4.764 11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.095 -2.935 12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.225 -4.000 13.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.923 -1.767 12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.484 -1.598 13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.905 -3.458 14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.292 -3.485 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.191 -2.019 14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.273 -1.484 13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.384 -0.904 14.307 1.00 0.00 H new ATOM 915 N ARG A 56 -3.485 -7.081 10.286 1.00 0.00 N ATOM 916 CA ARG A 56 -3.913 -8.353 9.699 1.00 0.00 C ATOM 917 C ARG A 56 -3.130 -9.507 10.326 1.00 0.00 C ATOM 918 O ARG A 56 -3.714 -10.478 10.805 1.00 0.00 O ATOM 919 CB ARG A 56 -3.685 -8.326 8.171 1.00 0.00 C ATOM 920 CG ARG A 56 -4.127 -9.596 7.424 1.00 0.00 C ATOM 921 CD ARG A 56 -3.941 -9.459 5.901 1.00 0.00 C ATOM 922 NE ARG A 56 -2.525 -9.399 5.504 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.044 -9.512 4.268 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.809 -9.699 3.213 1.00 0.00 N ATOM 925 NH2 ARG A 56 -0.748 -9.435 4.080 1.00 0.00 N ATOM 0 H ARG A 56 -3.145 -6.398 9.609 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.975 -8.499 9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.220 -7.473 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.625 -8.161 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.552 -10.449 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.174 -9.802 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.418 -10.304 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.449 -8.558 5.557 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.844 -9.257 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.821 -9.764 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.390 -9.779 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.125 -9.291 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.363 -9.520 3.139 1.00 0.00 H new ATOM 939 N HIS A 57 -1.811 -9.340 10.406 1.00 0.00 N ATOM 940 CA HIS A 57 -0.926 -10.359 10.945 1.00 0.00 C ATOM 941 C HIS A 57 -1.265 -10.686 12.427 1.00 0.00 C ATOM 942 O HIS A 57 -1.256 -11.848 12.822 1.00 0.00 O ATOM 943 CB HIS A 57 0.520 -9.885 10.834 1.00 0.00 C ATOM 944 CG HIS A 57 1.429 -10.916 11.388 1.00 0.00 C ATOM 945 ND1 HIS A 57 1.987 -10.883 12.622 1.00 0.00 N flip ATOM 946 CD2 HIS A 57 1.697 -12.128 10.822 1.00 0.00 C flip ATOM 947 CE1 HIS A 57 2.599 -12.115 12.817 1.00 0.00 C flip ATOM 948 NE2 HIS A 57 2.431 -12.827 11.698 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.331 -8.494 10.098 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.064 -11.272 10.365 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.769 -9.689 9.791 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.647 -8.947 11.374 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.963 -10.104 13.280 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.376 -12.463 9.847 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.116 -12.438 13.709 1.00 0.00 H new ATOM 956 N GLN A 58 -1.655 -9.659 13.205 1.00 0.00 N ATOM 957 CA GLN A 58 -2.047 -9.848 14.622 1.00 0.00 C ATOM 958 C GLN A 58 -3.130 -10.935 14.740 1.00 0.00 C ATOM 959 O GLN A 58 -3.147 -11.709 15.708 1.00 0.00 O ATOM 960 CB GLN A 58 -2.590 -8.520 15.223 1.00 0.00 C ATOM 961 CG GLN A 58 -1.704 -7.275 15.415 1.00 0.00 C ATOM 962 CD GLN A 58 -0.284 -7.561 15.857 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.084 -7.287 16.988 1.00 0.00 O ATOM 964 NE2 GLN A 58 0.535 -8.057 14.951 1.00 0.00 N ATOM 0 H GLN A 58 -1.708 -8.693 12.882 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.161 -10.157 15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.427 -8.213 14.596 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.999 -8.766 16.203 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.672 -6.722 14.476 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.174 -6.624 16.152 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.190 -8.274 14.016 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.514 -8.224 15.185 1.00 0.00 H new ATOM 973 N ARG A 59 -4.061 -10.957 13.770 1.00 0.00 N ATOM 974 CA ARG A 59 -5.190 -11.907 13.778 1.00 0.00 C ATOM 975 C ARG A 59 -4.690 -13.362 13.881 1.00 0.00 C ATOM 976 O ARG A 59 -5.348 -14.204 14.487 1.00 0.00 O ATOM 977 CB ARG A 59 -6.033 -11.730 12.504 1.00 0.00 C ATOM 978 CG ARG A 59 -6.545 -10.277 12.406 1.00 0.00 C ATOM 979 CD ARG A 59 -7.334 -9.957 11.139 1.00 0.00 C ATOM 980 NE ARG A 59 -7.550 -8.501 11.035 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.659 -7.784 9.922 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.748 -8.326 8.728 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.665 -6.472 9.984 1.00 0.00 N ATOM 0 H ARG A 59 -4.054 -10.326 12.968 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.807 -11.697 14.652 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.435 -11.973 11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.876 -12.421 12.517 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.175 -10.070 13.271 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.691 -9.602 12.465 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.794 -10.317 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.293 -10.475 11.157 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.624 -7.989 11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.735 -9.341 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.830 -7.732 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.586 -6.004 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.749 -5.921 9.129 1.00 0.00 H new ATOM 997 N ARG A 60 -3.513 -13.638 13.287 1.00 0.00 N ATOM 998 CA ARG A 60 -2.917 -14.993 13.293 1.00 0.00 C ATOM 999 C ARG A 60 -2.749 -15.533 14.736 1.00 0.00 C ATOM 1000 O ARG A 60 -2.871 -16.733 14.965 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.541 -14.953 12.592 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.818 -16.303 12.495 1.00 0.00 C ATOM 1003 CD ARG A 60 0.490 -16.161 11.700 1.00 0.00 C ATOM 1004 NE ARG A 60 1.212 -17.445 11.648 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.177 -17.809 10.810 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.592 -17.063 9.811 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.762 -18.974 10.972 1.00 0.00 N ATOM 0 H ARG A 60 -2.953 -12.941 12.796 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.591 -15.663 12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.675 -14.558 11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.899 -14.253 13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.603 -16.679 13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.466 -17.035 12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.271 -15.820 10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.121 -15.402 12.162 1.00 0.00 H new ATOM 0 HE ARG A 60 0.937 -18.141 12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.168 -16.150 9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.338 -17.397 9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.474 -19.588 11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.504 -19.265 10.335 1.00 0.00 H new ATOM 1021 N HIS A 61 -2.475 -14.635 15.699 1.00 0.00 N ATOM 1022 CA HIS A 61 -2.261 -15.037 17.111 1.00 0.00 C ATOM 1023 C HIS A 61 -3.477 -14.690 17.978 1.00 0.00 C ATOM 1024 O HIS A 61 -3.748 -15.358 18.971 1.00 0.00 O ATOM 1025 CB HIS A 61 -1.014 -14.334 17.683 1.00 0.00 C ATOM 1026 CG HIS A 61 -0.162 -13.522 16.750 1.00 0.00 C ATOM 1027 ND1 HIS A 61 -0.447 -12.290 16.232 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.130 -13.792 16.435 1.00 0.00 C ATOM 1029 CE1 HIS A 61 0.680 -11.832 15.647 1.00 0.00 C ATOM 1030 NE2 HIS A 61 1.665 -12.721 15.746 1.00 0.00 N ATOM 0 H HIS A 61 -2.396 -13.632 15.533 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.115 -16.117 17.128 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.343 -13.678 18.489 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.379 -15.097 18.133 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -1.344 -11.807 16.279 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.657 -14.701 16.684 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.770 -10.871 15.163 1.00 0.00 H new ATOM 1038 N THR A 62 -4.165 -13.603 17.625 1.00 0.00 N ATOM 1039 CA THR A 62 -5.262 -13.067 18.452 1.00 0.00 C ATOM 1040 C THR A 62 -6.605 -13.745 18.121 1.00 0.00 C ATOM 1041 O THR A 62 -7.607 -13.497 18.785 1.00 0.00 O ATOM 1042 CB THR A 62 -5.414 -11.553 18.238 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.575 -11.269 16.878 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.185 -10.762 18.674 1.00 0.00 C ATOM 0 H THR A 62 -3.986 -13.072 16.773 1.00 0.00 H new ATOM 0 HA THR A 62 -5.004 -13.273 19.491 1.00 0.00 H new ATOM 0 HB THR A 62 -6.278 -11.265 18.837 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.744 -11.472 16.401 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.354 -9.700 18.498 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.003 -10.929 19.736 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.318 -11.091 18.101 1.00 0.00 H new ATOM 1052 N GLY A 63 -6.613 -14.613 17.090 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.836 -15.344 16.710 1.00 0.00 C ATOM 1054 C GLY A 63 -8.939 -14.417 16.156 1.00 0.00 C ATOM 1055 O GLY A 63 -10.075 -14.847 15.956 1.00 0.00 O ATOM 0 H GLY A 63 -5.798 -14.823 16.513 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.587 -16.094 15.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.219 -15.878 17.579 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.598 -13.139 15.940 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.573 -12.130 15.517 1.00 0.00 C ATOM 1061 C VAL A 64 -10.030 -12.381 14.069 1.00 0.00 C ATOM 1062 O VAL A 64 -9.296 -12.113 13.116 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.955 -10.715 15.646 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.752 -9.586 14.971 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.859 -10.350 17.135 1.00 0.00 C ATOM 0 H VAL A 64 -7.650 -12.781 16.052 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.447 -12.200 16.165 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.991 -10.781 15.142 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.236 -8.637 15.119 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.838 -9.789 13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.748 -9.530 15.411 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.425 -9.355 17.239 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.855 -10.359 17.577 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.228 -11.076 17.648 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.268 -12.882 13.921 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.888 -13.092 12.599 1.00 0.00 C ATOM 1077 C LYS A 65 -13.142 -12.205 12.454 1.00 0.00 C ATOM 1078 O LYS A 65 -14.252 -12.633 12.776 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.270 -14.577 12.424 1.00 0.00 C ATOM 1080 CG LYS A 65 -11.058 -15.520 12.400 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.504 -16.988 12.346 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.307 -17.945 12.391 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.625 -17.908 13.703 1.00 0.00 N ATOM 0 H LYS A 65 -11.863 -13.151 14.705 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.170 -12.817 11.826 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.934 -14.872 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.830 -14.693 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.434 -15.294 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.446 -15.354 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.169 -17.197 13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.075 -17.162 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.645 -18.961 12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.599 -17.680 11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.933 -18.682 13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.135 -16.997 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.327 -18.019 14.462 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.958 -10.922 12.059 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.030 -9.937 12.067 1.00 0.00 C ATOM 1099 C PRO A 66 -14.922 -10.006 10.818 1.00 0.00 C ATOM 1100 O PRO A 66 -16.019 -9.453 10.810 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.288 -8.597 12.128 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.989 -8.861 11.369 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.684 -10.322 11.694 1.00 0.00 C ATOM 0 HA PRO A 66 -14.714 -10.100 12.900 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.867 -7.798 11.664 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.095 -8.294 13.157 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.110 -8.704 10.297 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.188 -8.200 11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.244 -10.830 10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.967 -10.399 12.511 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.459 -10.710 9.770 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.264 -10.884 8.554 1.00 0.00 C ATOM 1113 C PHE A 67 -16.143 -12.133 8.682 1.00 0.00 C ATOM 1114 O PHE A 67 -15.670 -13.172 9.087 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.341 -11.007 7.325 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.363 -9.853 7.193 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.772 -8.639 6.604 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.061 -9.969 7.710 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.893 -7.542 6.562 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.176 -8.879 7.650 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.592 -7.664 7.080 1.00 0.00 C ATOM 0 H PHE A 67 -13.544 -11.161 9.742 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.907 -10.013 8.426 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.784 -11.941 7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.952 -11.062 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.763 -8.551 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.740 -10.899 8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.218 -6.606 6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.175 -8.975 8.043 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.913 -6.825 7.040 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.441 -11.999 8.400 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.376 -13.143 8.473 1.00 0.00 C ATOM 1133 C GLN A 68 -19.102 -13.337 7.143 1.00 0.00 C ATOM 1134 O GLN A 68 -19.534 -12.365 6.518 1.00 0.00 O ATOM 1135 CB GLN A 68 -19.404 -12.911 9.594 1.00 0.00 C ATOM 1136 CG GLN A 68 -20.172 -14.197 9.958 1.00 0.00 C ATOM 1137 CD GLN A 68 -21.582 -13.903 10.444 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -21.819 -13.676 11.619 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -22.558 -13.901 9.553 1.00 0.00 N ATOM 0 H GLN A 68 -17.874 -11.119 8.120 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.799 -14.042 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.894 -12.532 10.479 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.112 -12.144 9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.218 -14.850 9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.627 -14.737 10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.353 -14.091 8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.516 -13.709 9.846 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.303 -14.603 6.753 1.00 0.00 N ATOM 1149 CA CYS A 69 -20.085 -14.928 5.566 1.00 0.00 C ATOM 1150 C CYS A 69 -21.553 -14.493 5.753 1.00 0.00 C ATOM 1151 O CYS A 69 -22.092 -14.525 6.870 1.00 0.00 O ATOM 1152 CB CYS A 69 -20.022 -16.433 5.282 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.999 -16.799 3.785 1.00 0.00 S ATOM 0 H CYS A 69 -18.932 -15.415 7.247 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.662 -14.389 4.718 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.987 -16.746 5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.412 -16.993 6.132 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.206 -16.879 2.758 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.195 -14.114 4.642 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.619 -13.733 4.648 1.00 0.00 C ATOM 1160 C LYS A 70 -24.516 -14.950 4.325 1.00 0.00 C ATOM 1161 O LYS A 70 -25.719 -14.803 4.115 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.864 -12.603 3.613 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.250 -12.765 2.202 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.968 -13.764 1.284 1.00 0.00 C ATOM 1165 CE LYS A 70 -23.103 -14.081 0.060 1.00 0.00 C ATOM 1166 NZ LYS A 70 -23.615 -15.260 -0.665 1.00 0.00 N ATOM 0 H LYS A 70 -21.753 -14.062 3.724 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.877 -13.374 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.941 -12.484 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.485 -11.673 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.241 -11.790 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.211 -13.078 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.184 -14.681 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.925 -13.351 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.084 -13.220 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.075 -14.263 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.030 -15.431 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.578 -16.093 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.599 -15.089 -0.956 1.00 0.00 H new ATOM 1180 N THR A 71 -23.898 -16.138 4.234 1.00 0.00 N ATOM 1181 CA THR A 71 -24.591 -17.356 3.782 1.00 0.00 C ATOM 1182 C THR A 71 -24.460 -18.474 4.824 1.00 0.00 C ATOM 1183 O THR A 71 -25.456 -18.907 5.400 1.00 0.00 O ATOM 1184 CB THR A 71 -24.010 -17.856 2.432 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.075 -16.963 1.860 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.100 -18.064 1.387 1.00 0.00 C ATOM 0 H THR A 71 -22.916 -16.282 4.468 1.00 0.00 H new ATOM 0 HA THR A 71 -25.643 -17.103 3.650 1.00 0.00 H new ATOM 0 HB THR A 71 -23.518 -18.795 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.262 -16.946 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.651 -18.414 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.813 -18.806 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.617 -17.121 1.208 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.219 -18.937 5.061 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.962 -20.028 6.012 1.00 0.00 C ATOM 1196 C CYS A 72 -22.547 -19.482 7.395 1.00 0.00 C ATOM 1197 O CYS A 72 -22.459 -20.240 8.366 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.856 -20.933 5.468 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.309 -20.004 5.400 1.00 0.00 S ATOM 0 H CYS A 72 -22.382 -18.572 4.607 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.884 -20.597 6.133 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.740 -21.809 6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.121 -21.294 4.474 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.477 -18.933 4.682 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.355 -18.148 7.484 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.973 -17.472 8.747 1.00 0.00 C ATOM 1206 C GLN A 73 -20.540 -17.869 9.192 1.00 0.00 C ATOM 1207 O GLN A 73 -20.164 -17.655 10.347 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.985 -17.809 9.875 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.488 -17.766 9.511 1.00 0.00 C ATOM 1210 CD GLN A 73 -25.272 -18.947 10.087 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -26.277 -18.782 10.761 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.847 -20.174 9.844 1.00 0.00 N ATOM 0 H GLN A 73 -22.459 -17.513 6.692 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.989 -16.398 8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.756 -18.807 10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.817 -17.115 10.699 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.920 -16.835 9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.594 -17.760 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.009 -20.321 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.357 -20.974 10.218 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.727 -18.383 8.249 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.332 -18.729 8.543 1.00 0.00 C ATOM 1223 C ARG A 74 -17.485 -17.474 8.650 1.00 0.00 C ATOM 1224 O ARG A 74 -17.561 -16.586 7.799 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.764 -19.647 7.444 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.397 -20.211 7.869 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.873 -21.270 6.891 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.763 -22.060 7.464 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.537 -21.653 7.778 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.136 -20.412 7.629 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.665 -22.518 8.245 1.00 0.00 N ATOM 0 H ARG A 74 -20.013 -18.565 7.287 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.305 -19.257 9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.458 -20.465 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.661 -19.089 6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.676 -19.396 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.481 -20.649 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.687 -21.939 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.535 -20.782 5.977 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.963 -23.044 7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.776 -19.710 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.184 -20.149 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.930 -23.496 8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.723 -22.212 8.488 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.708 -17.378 9.733 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.890 -16.200 9.986 1.00 0.00 C ATOM 1247 C LYS A 75 -14.476 -16.374 9.416 1.00 0.00 C ATOM 1248 O LYS A 75 -13.895 -17.458 9.475 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.812 -15.929 11.498 1.00 0.00 C ATOM 1250 CG LYS A 75 -17.154 -15.383 12.005 1.00 0.00 C ATOM 1251 CD LYS A 75 -17.099 -14.967 13.477 1.00 0.00 C ATOM 1252 CE LYS A 75 -18.455 -14.385 13.890 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.442 -13.941 15.299 1.00 0.00 N ATOM 0 H LYS A 75 -16.632 -18.104 10.445 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.357 -15.351 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.561 -16.848 12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.017 -15.213 11.707 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.446 -14.525 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.925 -16.143 11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.854 -15.827 14.101 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.312 -14.228 13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.704 -13.543 13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.233 -15.135 13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.374 -13.552 15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.228 -14.750 15.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.715 -13.208 15.425 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.918 -15.271 8.922 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.555 -15.225 8.416 1.00 0.00 C ATOM 1269 C PHE A 76 -11.832 -13.972 8.946 1.00 0.00 C ATOM 1270 O PHE A 76 -12.473 -12.993 9.368 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.569 -15.198 6.873 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.329 -16.317 6.180 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.672 -17.519 5.846 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.689 -16.152 5.850 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.375 -18.552 5.199 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.397 -17.192 5.220 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.737 -18.390 4.896 1.00 0.00 C ATOM 0 H PHE A 76 -14.407 -14.378 8.863 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.025 -16.114 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.995 -14.247 6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.537 -15.219 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.627 -17.647 6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.190 -15.224 6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.868 -19.468 4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.444 -17.070 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.279 -19.189 4.412 1.00 0.00 H new ATOM 1287 N SER A 77 -10.496 -14.009 8.916 1.00 0.00 N ATOM 1288 CA SER A 77 -9.672 -12.910 9.431 1.00 0.00 C ATOM 1289 C SER A 77 -9.196 -11.985 8.301 1.00 0.00 C ATOM 1290 O SER A 77 -8.497 -11.005 8.552 1.00 0.00 O ATOM 1291 CB SER A 77 -8.451 -13.483 10.164 1.00 0.00 C ATOM 1292 OG SER A 77 -7.807 -14.427 9.320 1.00 0.00 O ATOM 0 H SER A 77 -9.960 -14.791 8.539 1.00 0.00 H new ATOM 0 HA SER A 77 -10.284 -12.324 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.761 -12.682 10.429 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.760 -13.959 11.095 1.00 0.00 H new ATOM 0 HG SER A 77 -7.025 -14.797 9.780 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.585 -12.300 7.059 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.164 -11.522 5.893 1.00 0.00 C ATOM 1300 C ARG A 78 -10.343 -11.262 4.962 1.00 0.00 C ATOM 1301 O ARG A 78 -11.094 -12.179 4.621 1.00 0.00 O ATOM 1302 CB ARG A 78 -8.055 -12.277 5.140 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.707 -12.004 5.829 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.549 -12.892 5.371 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.257 -12.763 3.933 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.079 -12.939 3.345 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.973 -13.078 4.036 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.022 -12.959 2.034 1.00 0.00 N ATOM 0 H ARG A 78 -10.191 -13.090 6.838 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.780 -10.561 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.265 -13.347 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.019 -11.953 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.434 -10.963 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.835 -12.128 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.656 -12.637 5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.785 -13.932 5.596 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.039 -12.513 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.002 -13.052 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.084 -13.212 3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.873 -12.841 1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.126 -13.093 1.564 1.00 0.00 H new ATOM 1322 N SER A 79 -10.465 -10.009 4.512 1.00 0.00 N ATOM 1323 CA SER A 79 -11.507 -9.619 3.559 1.00 0.00 C ATOM 1324 C SER A 79 -11.314 -10.338 2.225 1.00 0.00 C ATOM 1325 O SER A 79 -12.277 -10.764 1.599 1.00 0.00 O ATOM 1326 CB SER A 79 -11.466 -8.102 3.334 1.00 0.00 C ATOM 1327 OG SER A 79 -10.140 -7.685 3.046 1.00 0.00 O ATOM 0 H SER A 79 -9.851 -9.245 4.795 1.00 0.00 H new ATOM 0 HA SER A 79 -12.475 -9.901 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.127 -7.831 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.833 -7.585 4.221 1.00 0.00 H new ATOM 0 HG SER A 79 -10.126 -6.716 2.902 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.054 -10.466 1.796 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.729 -11.105 0.525 1.00 0.00 C ATOM 1335 C ASP A 80 -10.120 -12.617 0.541 1.00 0.00 C ATOM 1336 O ASP A 80 -10.720 -13.113 -0.419 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.232 -10.932 0.226 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.293 -11.322 1.363 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.114 -10.480 2.270 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.786 -12.465 1.334 1.00 0.00 O ATOM 0 H ASP A 80 -9.242 -10.133 2.316 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.306 -10.624 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.982 -11.529 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.048 -9.890 -0.034 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.843 -13.319 1.666 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.300 -14.716 1.844 1.00 0.00 C ATOM 1347 C HIS A 81 -11.834 -14.790 1.873 1.00 0.00 C ATOM 1348 O HIS A 81 -12.419 -15.697 1.298 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.749 -15.300 3.160 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.279 -15.571 3.299 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.311 -15.504 2.333 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.669 -15.915 4.471 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.141 -15.800 2.924 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.307 -15.994 4.238 1.00 0.00 N ATOM 0 H HIS A 81 -9.313 -12.946 2.453 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.927 -15.296 1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.031 -14.617 3.962 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.271 -16.239 3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.163 -16.094 5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.195 -15.872 2.409 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.576 -16.166 4.929 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.478 -13.842 2.575 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.943 -13.827 2.680 1.00 0.00 C ATOM 1364 C LEU A 82 -14.585 -13.593 1.301 1.00 0.00 C ATOM 1365 O LEU A 82 -15.501 -14.310 0.913 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.402 -12.736 3.666 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.951 -12.728 3.753 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.487 -12.592 5.174 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.599 -11.615 2.914 1.00 0.00 C ATOM 0 H LEU A 82 -12.011 -13.084 3.073 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.266 -14.799 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.974 -12.919 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.041 -11.761 3.338 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.223 -13.705 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.577 -12.594 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.134 -13.428 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.134 -11.656 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.683 -11.665 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.245 -10.644 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.329 -11.745 1.866 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.072 -12.603 0.557 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.538 -12.334 -0.817 1.00 0.00 C ATOM 1383 C LYS A 83 -14.259 -13.538 -1.726 1.00 0.00 C ATOM 1384 O LYS A 83 -15.048 -13.852 -2.608 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.834 -11.082 -1.375 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.414 -10.670 -2.739 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.838 -9.342 -3.242 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.500 -8.990 -4.578 1.00 0.00 C ATOM 1389 NZ LYS A 83 -13.992 -7.714 -5.118 1.00 0.00 N ATOM 0 H LYS A 83 -13.336 -11.975 0.880 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.614 -12.160 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.941 -10.258 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.767 -11.278 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.208 -11.452 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.498 -10.586 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.018 -8.552 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.758 -9.422 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.316 -9.788 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.580 -8.924 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.462 -7.508 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.190 -6.948 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.966 -7.785 -5.270 1.00 0.00 H new ATOM 1403 N THR A 84 -13.148 -14.231 -1.470 1.00 0.00 N ATOM 1404 CA THR A 84 -12.805 -15.449 -2.210 1.00 0.00 C ATOM 1405 C THR A 84 -13.811 -16.577 -1.897 1.00 0.00 C ATOM 1406 O THR A 84 -14.460 -17.104 -2.803 1.00 0.00 O ATOM 1407 CB THR A 84 -11.391 -15.921 -1.824 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.464 -14.950 -2.255 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.936 -17.282 -2.323 1.00 0.00 C ATOM 0 H THR A 84 -12.469 -13.970 -0.755 1.00 0.00 H new ATOM 0 HA THR A 84 -12.841 -15.220 -3.275 1.00 0.00 H new ATOM 0 HB THR A 84 -11.438 -16.043 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.304 -14.307 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.922 -17.478 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.607 -18.052 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.952 -17.294 -3.413 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.058 -16.809 -0.599 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.042 -17.805 -0.148 1.00 0.00 C ATOM 1419 C HIS A 85 -16.459 -17.421 -0.604 1.00 0.00 C ATOM 1420 O HIS A 85 -17.252 -18.278 -0.976 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.999 -17.910 1.384 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.228 -18.539 1.971 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.572 -19.873 1.926 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.277 -17.845 2.506 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.829 -19.975 2.393 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.281 -18.769 2.766 1.00 0.00 N ATOM 0 H HIS A 85 -13.587 -16.317 0.161 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.790 -18.769 -0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.126 -18.493 1.677 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.873 -16.913 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.317 -16.782 2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.392 -20.894 2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.196 -18.567 3.168 1.00 0.00 H new ATOM 1434 N THR A 86 -16.721 -16.118 -0.675 1.00 0.00 N ATOM 1435 CA THR A 86 -17.999 -15.599 -1.160 1.00 0.00 C ATOM 1436 C THR A 86 -18.317 -16.170 -2.546 1.00 0.00 C ATOM 1437 O THR A 86 -19.465 -16.543 -2.825 1.00 0.00 O ATOM 1438 CB THR A 86 -17.976 -14.060 -1.238 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.788 -13.534 0.055 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.237 -13.384 -1.755 1.00 0.00 C ATOM 0 H THR A 86 -16.057 -15.394 -0.399 1.00 0.00 H new ATOM 0 HA THR A 86 -18.771 -15.906 -0.454 1.00 0.00 H new ATOM 0 HB THR A 86 -17.174 -13.856 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.844 -13.613 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.094 -12.303 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.445 -13.729 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.076 -13.635 -1.106 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.289 -16.262 -3.413 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.478 -16.771 -4.777 1.00 0.00 C ATOM 1450 C ARG A 87 -17.970 -18.228 -4.760 1.00 0.00 C ATOM 1451 O ARG A 87 -18.684 -18.645 -5.664 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.167 -16.691 -5.557 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.616 -15.276 -5.766 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.397 -15.326 -6.689 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.983 -13.976 -7.087 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.747 -13.506 -7.164 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -11.682 -14.258 -6.987 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -12.569 -12.235 -7.439 1.00 0.00 N ATOM 0 H ARG A 87 -16.330 -15.992 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.232 -16.151 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.415 -17.283 -5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.315 -17.154 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.385 -14.636 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.340 -14.838 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.573 -15.828 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.632 -15.914 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.731 -13.327 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.788 -15.251 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.751 -13.848 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.375 -11.628 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.625 -11.854 -7.503 1.00 0.00 H new ATOM 1472 N THR A 88 -17.628 -18.983 -3.697 1.00 0.00 N ATOM 1473 CA THR A 88 -18.103 -20.373 -3.540 1.00 0.00 C ATOM 1474 C THR A 88 -19.632 -20.422 -3.422 1.00 0.00 C ATOM 1475 O THR A 88 -20.268 -21.324 -3.960 1.00 0.00 O ATOM 1476 CB THR A 88 -17.491 -21.024 -2.281 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.083 -21.030 -2.395 1.00 0.00 O ATOM 1478 CG2 THR A 88 -17.936 -22.461 -2.028 1.00 0.00 C ATOM 0 H THR A 88 -17.029 -18.657 -2.939 1.00 0.00 H new ATOM 0 HA THR A 88 -17.789 -20.923 -4.427 1.00 0.00 H new ATOM 0 HB THR A 88 -17.845 -20.423 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.692 -21.441 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.457 -22.837 -1.124 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.018 -22.490 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.651 -23.085 -2.875 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.219 -19.414 -2.758 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.680 -19.315 -2.641 1.00 0.00 C ATOM 1488 C HIS A 89 -22.273 -18.587 -3.856 1.00 0.00 C ATOM 1489 O HIS A 89 -23.445 -18.758 -4.181 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.051 -18.564 -1.358 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.834 -19.372 -0.102 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.388 -20.603 0.180 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.147 -18.963 1.008 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -22.046 -20.919 1.442 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.313 -19.942 1.989 1.00 0.00 N ATOM 0 H HIS A 89 -19.707 -18.661 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.092 -20.324 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.461 -17.650 -1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.098 -18.265 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.580 -18.049 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.324 -21.834 1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.946 -19.917 2.940 1.00 0.00 H new ATOM 1503 N THR A 90 -21.455 -17.746 -4.498 1.00 0.00 N ATOM 1504 CA THR A 90 -21.928 -16.874 -5.585 1.00 0.00 C ATOM 1505 C THR A 90 -21.763 -17.557 -6.965 1.00 0.00 C ATOM 1506 O THR A 90 -22.208 -17.031 -7.980 1.00 0.00 O ATOM 1507 CB THR A 90 -21.122 -15.554 -5.590 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.069 -15.031 -4.276 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.663 -14.422 -6.454 1.00 0.00 C ATOM 0 H THR A 90 -20.462 -17.649 -4.286 1.00 0.00 H new ATOM 0 HA THR A 90 -22.985 -16.673 -5.412 1.00 0.00 H new ATOM 0 HB THR A 90 -20.160 -15.851 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.428 -15.547 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.008 -13.555 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.704 -14.746 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.665 -14.154 -6.117 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.122 -18.738 -6.980 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.830 -19.443 -8.243 1.00 0.00 C ATOM 1519 C GLY A 91 -19.910 -18.622 -9.176 1.00 0.00 C ATOM 1520 O GLY A 91 -19.818 -18.901 -10.371 1.00 0.00 O ATOM 0 H GLY A 91 -20.798 -19.222 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.358 -20.400 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.765 -19.661 -8.759 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.261 -17.592 -8.618 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.459 -16.657 -9.405 1.00 0.00 C ATOM 1526 C GLU A 92 -17.099 -17.277 -9.771 1.00 0.00 C ATOM 1527 O GLU A 92 -16.127 -17.157 -9.027 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.250 -15.355 -8.606 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.543 -14.232 -9.381 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.364 -12.980 -8.512 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.399 -12.416 -8.093 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.194 -12.606 -8.262 1.00 0.00 O ATOM 0 H GLU A 92 -19.278 -17.388 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.991 -16.433 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.221 -14.991 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.669 -15.583 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.569 -14.581 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.122 -13.980 -10.270 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.050 -17.947 -10.930 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.816 -18.579 -11.420 1.00 0.00 C ATOM 1541 C LYS A 93 -15.380 -17.946 -12.760 1.00 0.00 C ATOM 1542 O LYS A 93 -15.727 -18.443 -13.828 1.00 0.00 O ATOM 1543 CB LYS A 93 -16.039 -20.094 -11.603 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.249 -20.835 -10.273 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.709 -22.278 -10.501 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.843 -23.003 -9.160 1.00 0.00 C ATOM 1547 NZ LYS A 93 -17.243 -24.410 -9.354 1.00 0.00 N ATOM 0 H LYS A 93 -17.853 -18.066 -11.548 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.027 -18.418 -10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.907 -20.253 -12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.180 -20.522 -12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.319 -20.834 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.990 -20.306 -9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.665 -22.285 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.994 -22.800 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.894 -22.962 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.581 -22.494 -8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.326 -24.878 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.160 -24.446 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.525 -24.899 -9.926 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.659 -16.802 -12.707 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.265 -16.065 -13.901 1.00 0.00 C ATOM 1563 C PRO A 94 -12.968 -16.603 -14.543 1.00 0.00 C ATOM 1564 O PRO A 94 -12.671 -16.294 -15.696 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.056 -14.637 -13.385 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.530 -14.846 -11.962 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.271 -16.098 -11.490 1.00 0.00 C ATOM 0 HA PRO A 94 -15.015 -16.147 -14.687 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.343 -14.088 -14.000 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.986 -14.068 -13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.450 -14.990 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.744 -13.988 -11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.632 -16.720 -10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.144 -15.836 -10.893 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.184 -17.384 -13.779 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.875 -17.860 -14.255 1.00 0.00 C ATOM 1577 C PHE A 95 -11.029 -19.133 -15.117 1.00 0.00 C ATOM 1578 O PHE A 95 -10.734 -20.237 -14.668 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.952 -18.144 -13.060 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.649 -16.942 -12.197 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.683 -15.999 -12.598 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.347 -16.762 -10.994 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.420 -14.873 -11.794 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.108 -15.621 -10.207 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.142 -14.679 -10.604 1.00 0.00 C ATOM 0 H PHE A 95 -12.431 -17.696 -12.840 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.433 -17.079 -14.874 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.410 -18.914 -12.439 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.013 -18.553 -13.433 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.143 -16.139 -13.523 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.068 -17.499 -10.672 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.665 -14.160 -12.091 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.667 -15.468 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.955 -13.807 -9.995 1.00 0.00 H new ATOM 1595 N SER A 96 -11.492 -18.955 -16.360 1.00 0.00 N ATOM 1596 CA SER A 96 -11.656 -20.077 -17.307 1.00 0.00 C ATOM 1597 C SER A 96 -10.318 -20.450 -17.953 1.00 0.00 C ATOM 1598 O SER A 96 -9.538 -19.575 -18.337 1.00 0.00 O ATOM 1599 CB SER A 96 -12.659 -19.694 -18.399 1.00 0.00 C ATOM 1600 OG SER A 96 -13.920 -19.392 -17.833 1.00 0.00 O ATOM 0 H SER A 96 -11.761 -18.047 -16.738 1.00 0.00 H new ATOM 0 HA SER A 96 -12.027 -20.939 -16.752 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.288 -18.833 -18.955 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.761 -20.513 -19.111 1.00 0.00 H new ATOM 0 HG SER A 96 -14.548 -19.148 -18.545 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.093 -21.757 -18.131 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.870 -22.255 -18.750 1.00 0.00 C ATOM 1608 C CYS A 97 -8.846 -21.921 -20.238 1.00 0.00 C ATOM 1609 O CYS A 97 -9.879 -21.949 -20.908 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.769 -23.772 -18.560 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.151 -24.406 -19.042 1.00 0.00 S ATOM 0 H CYS A 97 -10.748 -22.488 -17.852 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.019 -21.772 -18.270 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.959 -24.020 -17.516 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.542 -24.264 -19.151 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.271 -25.633 -19.456 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.667 -21.521 -20.727 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.505 -21.048 -22.107 1.00 0.00 C ATOM 1618 C ARG A 98 -6.801 -22.106 -22.980 1.00 0.00 C ATOM 1619 O ARG A 98 -6.438 -21.832 -24.123 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.687 -19.731 -22.110 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.498 -18.491 -22.539 1.00 0.00 C ATOM 1622 CD ARG A 98 -8.444 -17.919 -21.469 1.00 0.00 C ATOM 1623 NE ARG A 98 -9.589 -18.795 -21.184 1.00 0.00 N ATOM 1624 CZ ARG A 98 -10.728 -18.911 -21.859 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -11.052 -18.126 -22.862 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -11.566 -19.868 -21.551 1.00 0.00 N ATOM 0 H ARG A 98 -6.804 -21.516 -20.183 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.494 -20.868 -22.528 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.285 -19.562 -21.111 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.835 -19.846 -22.781 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.801 -17.708 -22.840 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.086 -18.749 -23.419 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.884 -17.752 -20.549 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.811 -16.947 -21.799 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.498 -19.391 -20.362 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.416 -17.385 -23.156 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.940 -18.258 -23.347 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.343 -20.518 -20.798 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.442 -19.963 -22.064 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.616 -23.315 -22.430 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.972 -24.407 -23.162 1.00 0.00 C ATOM 1642 C TRP A 99 -6.814 -24.812 -24.396 1.00 0.00 C ATOM 1643 O TRP A 99 -8.035 -24.651 -24.405 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.781 -25.618 -22.233 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.505 -25.547 -21.447 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.210 -24.588 -20.543 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.325 -26.408 -21.508 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.947 -24.792 -20.033 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.345 -25.891 -20.606 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.975 -27.567 -22.236 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.080 -26.477 -20.448 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.712 -28.172 -22.077 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.764 -27.626 -21.193 1.00 0.00 C ATOM 0 H TRP A 99 -6.904 -23.558 -21.482 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.998 -24.064 -23.510 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.624 -25.680 -21.545 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.787 -26.532 -22.827 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.868 -23.779 -20.261 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.513 -24.204 -19.322 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.687 -27.996 -22.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.360 -26.052 -19.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.470 -29.062 -22.639 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.206 -28.089 -21.087 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.157 -25.347 -25.450 1.00 0.00 N ATOM 1665 CA PRO A 100 -6.820 -25.666 -26.725 1.00 0.00 C ATOM 1666 C PRO A 100 -7.762 -26.890 -26.630 1.00 0.00 C ATOM 1667 O PRO A 100 -8.320 -27.326 -27.635 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.649 -25.953 -27.679 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.524 -26.438 -26.766 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.722 -25.592 -25.513 1.00 0.00 C ATOM 0 HA PRO A 100 -7.466 -24.852 -27.054 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.915 -26.709 -28.418 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.356 -25.059 -28.229 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.607 -27.504 -26.552 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.543 -26.278 -27.212 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.371 -26.115 -24.623 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.164 -24.658 -25.575 1.00 0.00 H new ATOM 1678 N SER A 101 -7.929 -27.431 -25.415 1.00 0.00 N ATOM 1679 CA SER A 101 -8.794 -28.594 -25.191 1.00 0.00 C ATOM 1680 C SER A 101 -9.536 -28.485 -23.842 1.00 0.00 C ATOM 1681 O SER A 101 -9.884 -29.502 -23.237 1.00 0.00 O ATOM 1682 CB SER A 101 -7.951 -29.880 -25.215 1.00 0.00 C ATOM 1683 OG SER A 101 -7.205 -30.020 -24.020 1.00 0.00 O ATOM 0 H SER A 101 -7.475 -27.080 -24.572 1.00 0.00 H new ATOM 0 HA SER A 101 -9.537 -28.625 -25.988 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.603 -30.744 -25.344 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.275 -29.860 -26.070 1.00 0.00 H new ATOM 0 HG SER A 101 -6.678 -30.846 -24.058 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.732 -27.245 -23.356 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.381 -27.015 -22.065 1.00 0.00 C ATOM 1691 C CYS A 102 -11.069 -25.642 -22.026 1.00 0.00 C ATOM 1692 O CYS A 102 -10.676 -24.717 -22.736 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.341 -27.095 -20.946 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.115 -26.901 -19.322 1.00 0.00 S ATOM 0 H CYS A 102 -9.449 -26.394 -23.841 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.140 -27.784 -21.924 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.824 -28.053 -20.994 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.588 -26.319 -21.089 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.210 -27.007 -18.395 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.055 -25.514 -21.130 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.677 -24.220 -20.804 1.00 0.00 C ATOM 1701 C GLN A 103 -13.137 -24.208 -19.316 1.00 0.00 C ATOM 1702 O GLN A 103 -14.043 -23.460 -18.941 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.896 -23.963 -21.731 1.00 0.00 C ATOM 1704 CG GLN A 103 -13.593 -23.581 -23.190 1.00 0.00 C ATOM 1705 CD GLN A 103 -12.852 -22.249 -23.319 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -13.430 -21.169 -23.278 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -11.542 -22.269 -23.434 1.00 0.00 N ATOM 0 H GLN A 103 -12.445 -26.301 -20.611 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.941 -23.431 -20.957 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.513 -24.862 -21.737 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.496 -23.167 -21.290 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.995 -24.369 -23.649 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.528 -23.525 -23.747 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.047 -23.160 -23.469 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.021 -21.394 -23.488 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.519 -25.078 -18.489 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.922 -25.246 -17.082 1.00 0.00 C ATOM 1718 C LYS A 104 -12.655 -23.973 -16.297 1.00 0.00 C ATOM 1719 O LYS A 104 -11.622 -23.333 -16.471 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.156 -26.421 -16.450 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.709 -27.761 -16.973 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.060 -28.980 -16.302 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.595 -29.184 -16.697 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.441 -29.679 -18.079 1.00 0.00 N ATOM 0 H LYS A 104 -11.741 -25.673 -18.774 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.991 -25.458 -17.051 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.095 -26.341 -16.685 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.246 -26.381 -15.364 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.786 -27.793 -16.808 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.550 -27.818 -18.050 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.124 -28.867 -15.220 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.627 -29.874 -16.563 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.060 -28.240 -16.592 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.132 -29.891 -16.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.582 -30.261 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.269 -30.254 -18.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.364 -28.872 -18.730 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.626 -23.576 -15.469 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.601 -22.267 -14.818 1.00 0.00 C ATOM 1740 C LYS A 105 -13.392 -22.394 -13.312 1.00 0.00 C ATOM 1741 O LYS A 105 -14.018 -23.222 -12.650 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.912 -21.520 -15.110 1.00 0.00 C ATOM 1743 CG LYS A 105 -16.218 -22.225 -14.687 1.00 0.00 C ATOM 1744 CD LYS A 105 -17.448 -21.682 -15.433 1.00 0.00 C ATOM 1745 CE LYS A 105 -17.657 -20.181 -15.216 1.00 0.00 C ATOM 1746 NZ LYS A 105 -18.845 -19.689 -15.942 1.00 0.00 N ATOM 0 H LYS A 105 -14.440 -24.145 -15.235 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.760 -21.702 -15.221 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.871 -20.552 -14.611 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.962 -21.325 -16.181 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.127 -23.295 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.363 -22.100 -13.614 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.337 -21.879 -16.499 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -18.336 -22.220 -15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.771 -19.979 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.774 -19.637 -15.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.957 -18.669 -15.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -18.725 -19.860 -16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -19.691 -20.191 -15.604 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.518 -21.535 -12.777 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.218 -21.495 -11.340 1.00 0.00 C ATOM 1762 C PHE A 106 -12.559 -20.125 -10.760 1.00 0.00 C ATOM 1763 O PHE A 106 -12.756 -19.158 -11.499 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.727 -21.803 -11.111 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.316 -23.130 -11.722 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.489 -24.329 -11.004 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.872 -23.178 -13.058 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.249 -25.565 -11.631 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.652 -24.411 -13.692 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.850 -25.607 -12.979 1.00 0.00 C ATOM 0 H PHE A 106 -11.999 -20.849 -13.325 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.825 -22.247 -10.835 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.122 -21.004 -11.541 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.521 -21.818 -10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.806 -24.300 -9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.700 -22.259 -13.599 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.371 -26.484 -11.076 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.332 -24.441 -14.723 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.696 -26.558 -13.467 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.632 -20.045 -9.428 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.977 -18.798 -8.746 1.00 0.00 C ATOM 1782 C ALA A 107 -11.727 -18.117 -8.169 1.00 0.00 C ATOM 1783 O ALA A 107 -11.816 -17.035 -7.582 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.978 -19.090 -7.620 1.00 0.00 C ATOM 0 H ALA A 107 -12.456 -20.831 -8.802 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.426 -18.121 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.235 -18.161 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.880 -19.535 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.531 -19.782 -6.906 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.556 -18.741 -8.371 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.291 -18.177 -7.916 1.00 0.00 C ATOM 1792 C ARG A 108 -8.235 -18.260 -9.016 1.00 0.00 C ATOM 1793 O ARG A 108 -8.119 -19.273 -9.721 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.806 -18.920 -6.676 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.683 -18.718 -5.435 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.459 -19.813 -4.388 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.036 -20.021 -4.070 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.559 -20.539 -2.946 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.331 -20.718 -1.906 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.300 -20.891 -2.894 1.00 0.00 N ATOM 0 H ARG A 108 -10.467 -19.638 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.451 -17.128 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.756 -19.985 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.791 -18.595 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.467 -17.745 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.732 -18.708 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.995 -19.551 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.885 -20.748 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.356 -19.742 -4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.316 -20.458 -1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.948 -21.118 -1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.701 -20.765 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.917 -21.291 -2.037 1.00 0.00 H new ATOM 1814 N SER A 109 -7.444 -17.200 -9.132 1.00 0.00 N ATOM 1815 CA SER A 109 -6.385 -17.125 -10.122 1.00 0.00 C ATOM 1816 C SER A 109 -5.373 -18.265 -9.929 1.00 0.00 C ATOM 1817 O SER A 109 -4.986 -18.924 -10.886 1.00 0.00 O ATOM 1818 CB SER A 109 -5.666 -15.767 -10.014 1.00 0.00 C ATOM 1819 OG SER A 109 -5.353 -15.470 -8.663 1.00 0.00 O ATOM 0 H SER A 109 -7.521 -16.372 -8.542 1.00 0.00 H new ATOM 0 HA SER A 109 -6.831 -17.224 -11.111 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.752 -15.786 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.299 -14.981 -10.427 1.00 0.00 H new ATOM 0 HG SER A 109 -4.895 -14.605 -8.616 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.993 -18.526 -8.670 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.041 -19.599 -8.354 1.00 0.00 C ATOM 1827 C ASP A 110 -4.645 -20.999 -8.642 1.00 0.00 C ATOM 1828 O ASP A 110 -3.927 -21.910 -9.030 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.595 -19.503 -6.893 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.602 -19.939 -5.827 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.799 -19.618 -5.969 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.154 -20.543 -4.828 1.00 0.00 O ATOM 0 H ASP A 110 -5.329 -18.010 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.172 -19.472 -8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.694 -20.105 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.316 -18.469 -6.692 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.970 -21.158 -8.440 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.657 -22.419 -8.799 1.00 0.00 C ATOM 1839 C GLU A 111 -6.523 -22.684 -10.299 1.00 0.00 C ATOM 1840 O GLU A 111 -6.208 -23.802 -10.711 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.153 -22.358 -8.417 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.426 -22.750 -6.954 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.926 -22.776 -6.601 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.710 -22.078 -7.292 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.267 -23.455 -5.609 1.00 0.00 O ATOM 0 H GLU A 111 -6.577 -20.444 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.186 -23.230 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.524 -21.348 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.716 -23.021 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.997 -23.734 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.917 -22.047 -6.295 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.696 -21.629 -11.111 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.494 -21.735 -12.558 1.00 0.00 C ATOM 1854 C LEU A 112 -5.007 -22.027 -12.891 1.00 0.00 C ATOM 1855 O LEU A 112 -4.711 -22.876 -13.733 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.945 -20.442 -13.252 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.678 -20.455 -14.771 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.404 -21.605 -15.469 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.106 -19.148 -15.440 1.00 0.00 C ATOM 0 H LEU A 112 -6.973 -20.701 -10.790 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.096 -22.566 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.010 -20.293 -13.076 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.427 -19.594 -12.804 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.601 -20.584 -14.876 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.188 -21.576 -16.537 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.064 -22.554 -15.055 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.478 -21.505 -15.313 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.900 -19.202 -16.509 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.173 -18.992 -15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.550 -18.317 -15.005 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.077 -21.351 -12.187 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.629 -21.611 -12.364 1.00 0.00 C ATOM 1873 C VAL A 113 -2.321 -23.083 -12.072 1.00 0.00 C ATOM 1874 O VAL A 113 -1.663 -23.758 -12.863 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.797 -20.709 -11.413 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.302 -21.065 -11.428 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.888 -19.211 -11.726 1.00 0.00 C ATOM 0 H VAL A 113 -4.295 -20.630 -11.499 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.360 -21.383 -13.395 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.243 -20.903 -10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.236 -20.406 -10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.171 -22.100 -11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.091 -20.943 -12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.278 -18.653 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.525 -19.028 -12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.925 -18.885 -11.648 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.846 -23.582 -10.946 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.667 -24.981 -10.564 1.00 0.00 C ATOM 1889 C ARG A 114 -3.234 -25.908 -11.640 1.00 0.00 C ATOM 1890 O ARG A 114 -2.547 -26.815 -12.099 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.364 -25.254 -9.219 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.276 -26.739 -8.825 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.838 -27.003 -7.428 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.962 -26.454 -6.384 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.131 -26.598 -5.076 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.159 -27.246 -4.578 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.264 -26.074 -4.243 1.00 0.00 N ATOM 0 H ARG A 114 -3.398 -23.034 -10.286 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.600 -25.177 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.906 -24.643 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.410 -24.956 -9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.822 -27.339 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.235 -27.062 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.830 -26.559 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.956 -28.076 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.153 -25.915 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.855 -27.655 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.262 -27.340 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.461 -25.557 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.393 -26.184 -3.237 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.457 -25.610 -12.111 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.098 -26.412 -13.160 1.00 0.00 C ATOM 1913 C HIS A 115 -4.194 -26.516 -14.390 1.00 0.00 C ATOM 1914 O HIS A 115 -3.905 -27.615 -14.859 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.443 -25.792 -13.557 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.056 -26.559 -14.705 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.318 -27.912 -14.699 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.269 -26.098 -15.980 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.669 -28.253 -15.948 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.700 -27.174 -16.736 1.00 0.00 N ATOM 0 H HIS A 115 -5.017 -24.823 -11.782 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.269 -27.413 -12.765 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.120 -25.799 -12.703 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.301 -24.750 -13.842 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.257 -28.537 -13.895 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.127 -25.086 -16.328 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.895 -29.258 -16.271 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.693 -25.369 -14.866 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.757 -25.343 -15.987 1.00 0.00 C ATOM 1930 C HIS A 116 -1.504 -26.204 -15.681 1.00 0.00 C ATOM 1931 O HIS A 116 -1.027 -26.945 -16.542 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.330 -23.897 -16.283 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.386 -22.969 -16.848 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.529 -23.295 -17.553 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.287 -21.602 -16.850 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -5.079 -22.146 -17.979 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.363 -21.087 -17.575 1.00 0.00 N ATOM 0 H HIS A 116 -3.923 -24.449 -14.489 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.260 -25.759 -16.860 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.954 -23.459 -15.358 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.496 -23.927 -16.984 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -4.889 -24.235 -17.719 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.510 -21.023 -16.373 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.981 -22.083 -18.570 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.031 -26.156 -14.420 1.00 0.00 N ATOM 1946 CA ASN A 117 0.167 -26.904 -14.007 1.00 0.00 C ATOM 1947 C ASN A 117 -0.102 -28.429 -14.004 1.00 0.00 C ATOM 1948 O ASN A 117 0.834 -29.230 -13.979 1.00 0.00 O ATOM 1949 CB ASN A 117 0.605 -26.447 -12.596 1.00 0.00 C ATOM 1950 CG ASN A 117 2.088 -26.628 -12.290 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.726 -25.754 -11.727 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.686 -27.752 -12.627 1.00 0.00 N ATOM 0 H ASN A 117 -1.460 -25.608 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 117 0.963 -26.700 -14.723 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.351 -25.394 -12.477 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.027 -27.000 -11.856 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.675 -27.886 -12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.160 -28.488 -13.098 1.00 0.00 H new ATOM 1959 N MET A 118 -1.385 -28.809 -14.040 1.00 0.00 N ATOM 1960 CA MET A 118 -1.789 -30.218 -14.056 1.00 0.00 C ATOM 1961 C MET A 118 -2.483 -30.579 -15.391 1.00 0.00 C ATOM 1962 O MET A 118 -3.074 -31.650 -15.519 1.00 0.00 O ATOM 1963 CB MET A 118 -2.749 -30.495 -12.881 1.00 0.00 C ATOM 1964 CG MET A 118 -2.084 -30.264 -11.518 1.00 0.00 C ATOM 1965 SD MET A 118 -3.196 -30.485 -10.100 1.00 0.00 S ATOM 1966 CE MET A 118 -1.994 -30.294 -8.758 1.00 0.00 C ATOM 0 H MET A 118 -2.166 -28.153 -14.059 1.00 0.00 H new ATOM 0 HA MET A 118 -0.895 -30.834 -13.955 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.624 -29.851 -12.970 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.104 -31.524 -12.940 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.243 -30.950 -11.416 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.677 -29.253 -11.492 1.00 0.00 H new ATOM 0 HE1 MET A 118 -2.500 -30.400 -7.798 1.00 0.00 H new ATOM 0 HE2 MET A 118 -1.223 -31.060 -8.848 1.00 0.00 H new ATOM 0 HE3 MET A 118 -1.534 -29.308 -8.819 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.429 -29.660 -16.371 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.149 -29.835 -17.630 1.00 0.00 C ATOM 1978 C HIS A 119 -2.458 -30.876 -18.517 1.00 0.00 C ATOM 1979 O HIS A 119 -2.958 -31.222 -19.592 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.235 -28.497 -18.371 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.534 -28.379 -19.109 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.013 -29.278 -20.031 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.544 -27.512 -18.801 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.300 -28.964 -20.252 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.670 -27.918 -19.517 1.00 0.00 N ATOM 0 H HIS A 119 -1.894 -28.794 -16.309 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.154 -30.190 -17.403 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.140 -27.676 -17.660 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.405 -28.410 -19.072 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.491 -30.039 -20.465 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.482 -26.669 -18.128 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.949 -29.491 -20.936 1.00 0.00 H new