USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 772 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 152:sc= 0.815 USER MOD Set 1.2: A 100 CYS SG : rot -59:sc= -4.17! USER MOD Set 1.3: A 113 HIS : no HE2:sc= -3.61! X(o=-7.4!,f=-7.4) USER MOD Set 1.4: A 114 MET CE :methyl -125:sc= -0.221 (180deg=-0.558) USER MOD Set 1.5: A 118 HIS : no HD1:sc= -0.162 X(o=-7.4,f=-7.5) USER MOD Set 2.1: A 69 CYS SG : rot -133:sc= -2.49 USER MOD Set 2.2: A 72 CYS SG : rot -26:sc= -1.46! USER MOD Set 2.3: A 85 HIS : no HD1:sc= -2.01 K(o=-17,f=-19) USER MOD Set 2.4: A 86 MET CE :methyl 160:sc= -4.91 (180deg=-2.33!) USER MOD Set 2.5: A 89 HIS : no HD1:sc= -6.54! C(o=-17!,f=-21!) USER MOD Set 3.1: A 38 CYS SG : rot -10:sc= -1.08 USER MOD Set 3.2: A 41 CYS SG : rot -65:sc= -2.59 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -1.58 F(o=-7!,f=-5.3) USER MOD Set 4.1: A 43 LYS NZ :NH3+ -159:sc= -0.0687 (180deg=-0.427) USER MOD Set 4.2: A 44 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 10 CYS SG : rot -140:sc= 0 USER MOD Set 5.2: A 13 CYS SG : rot 180:sc= -2.47 USER MOD Set 5.3: A 26 HIS :FLIP no HD1:sc= -1.09 F(o=-4.6!,f=-3.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.0636 X(o=-0.064,f=-0.35) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -49:sc= 0.367 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : A 58 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -37:sc= 0.52 USER MOD Single : A 73 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.12) USER MOD Single : A 75 THR OG1 : rot 42:sc= 0.0225 USER MOD Single : A 80 MET CE :methyl -149:sc= -1.95 (180deg=-3.59!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -122:sc= -0.476 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 103 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 105 MET CE :methyl 155:sc= -2.13! (180deg=-2.24!) USER MOD Single : A 106 GLN : amide:sc= -0.0099 X(o=-0.0099,f=-0.19) USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -0.0513 (180deg=-0.352) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.3!) USER MOD Single : A 112 SER OG : rot 99:sc= -1.35 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 14.103 2.664 8.399 1.00 0.00 N ATOM 60 CA GLY A 7 12.796 3.177 8.767 1.00 0.00 C ATOM 61 C GLY A 7 11.757 2.081 8.891 1.00 0.00 C ATOM 62 O GLY A 7 12.023 0.923 8.569 1.00 0.00 O ATOM 0 HA2 GLY A 7 12.872 3.710 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.469 3.900 8.020 1.00 0.00 H new ATOM 66 N VAL A 8 10.568 2.445 9.361 1.00 0.00 N ATOM 67 CA VAL A 8 9.484 1.484 9.528 1.00 0.00 C ATOM 68 C VAL A 8 8.764 1.234 8.208 1.00 0.00 C ATOM 69 O VAL A 8 9.135 1.785 7.173 1.00 0.00 O ATOM 70 CB VAL A 8 8.463 1.965 10.575 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.119 2.097 11.941 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.840 3.285 10.144 1.00 0.00 C ATOM 0 H VAL A 8 10.331 3.399 9.633 1.00 0.00 H new ATOM 0 HA VAL A 8 9.936 0.554 9.874 1.00 0.00 H new ATOM 0 HB VAL A 8 7.669 1.222 10.651 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.381 2.438 12.667 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.513 1.129 12.251 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.934 2.819 11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.121 3.610 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.621 4.038 10.039 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.332 3.153 9.189 1.00 0.00 H new ATOM 82 N GLU A 9 7.730 0.399 8.253 1.00 0.00 N ATOM 83 CA GLU A 9 6.957 0.076 7.060 1.00 0.00 C ATOM 84 C GLU A 9 5.529 -0.318 7.427 1.00 0.00 C ATOM 85 O GLU A 9 5.278 -0.846 8.511 1.00 0.00 O ATOM 86 CB GLU A 9 7.627 -1.058 6.282 1.00 0.00 C ATOM 87 CG GLU A 9 6.971 -1.350 4.943 1.00 0.00 C ATOM 88 CD GLU A 9 7.917 -2.015 3.962 1.00 0.00 C ATOM 89 OE1 GLU A 9 8.809 -2.763 4.414 1.00 0.00 O ATOM 90 OE2 GLU A 9 7.765 -1.787 2.744 1.00 0.00 O ATOM 0 H GLU A 9 7.409 -0.065 9.102 1.00 0.00 H new ATOM 0 HA GLU A 9 6.920 0.965 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.674 -0.804 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.611 -1.963 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.105 -1.993 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.603 -0.419 4.512 1.00 0.00 H new ATOM 97 N CYS A 10 4.597 -0.058 6.516 1.00 0.00 N ATOM 98 CA CYS A 10 3.194 -0.384 6.742 1.00 0.00 C ATOM 99 C CYS A 10 2.887 -1.808 6.288 1.00 0.00 C ATOM 100 O CYS A 10 3.010 -2.152 5.113 1.00 0.00 O ATOM 101 CB CYS A 10 2.293 0.605 6.000 1.00 0.00 C ATOM 102 SG CYS A 10 0.626 0.773 6.714 1.00 0.00 S ATOM 0 H CYS A 10 4.788 0.378 5.614 1.00 0.00 H new ATOM 0 HA CYS A 10 2.998 -0.312 7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.774 1.583 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.201 0.288 4.961 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.249 0.859 5.757 1.00 0.00 H new ATOM 107 N PRO A 11 2.477 -2.657 7.242 1.00 0.00 N ATOM 108 CA PRO A 11 2.143 -4.058 6.966 1.00 0.00 C ATOM 109 C PRO A 11 0.860 -4.198 6.153 1.00 0.00 C ATOM 110 O PRO A 11 0.318 -5.294 6.013 1.00 0.00 O ATOM 111 CB PRO A 11 1.961 -4.661 8.360 1.00 0.00 C ATOM 112 CG PRO A 11 1.585 -3.509 9.226 1.00 0.00 C ATOM 113 CD PRO A 11 2.308 -2.316 8.665 1.00 0.00 C ATOM 0 HA PRO A 11 2.912 -4.551 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.185 -5.427 8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.878 -5.135 8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.507 -3.351 9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.874 -3.689 10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.731 -1.400 8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.268 -2.160 9.157 1.00 0.00 H new ATOM 121 N THR A 12 0.379 -3.080 5.618 1.00 0.00 N ATOM 122 CA THR A 12 -0.840 -3.078 4.820 1.00 0.00 C ATOM 123 C THR A 12 -0.568 -2.590 3.401 1.00 0.00 C ATOM 124 O THR A 12 -0.828 -3.300 2.429 1.00 0.00 O ATOM 125 CB THR A 12 -1.927 -2.190 5.456 1.00 0.00 C ATOM 126 OG1 THR A 12 -2.074 -2.515 6.843 1.00 0.00 O ATOM 127 CG2 THR A 12 -3.259 -2.371 4.744 1.00 0.00 C ATOM 0 H THR A 12 0.816 -2.164 5.723 1.00 0.00 H new ATOM 0 HA THR A 12 -1.196 -4.108 4.786 1.00 0.00 H new ATOM 0 HB THR A 12 -1.619 -1.149 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.765 -1.946 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.011 -1.734 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.151 -2.096 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.571 -3.413 4.816 1.00 0.00 H new ATOM 135 N CYS A 13 -0.044 -1.374 3.289 1.00 0.00 N ATOM 136 CA CYS A 13 0.264 -0.791 1.989 1.00 0.00 C ATOM 137 C CYS A 13 1.756 -0.894 1.686 1.00 0.00 C ATOM 138 O CYS A 13 2.199 -0.587 0.579 1.00 0.00 O ATOM 139 CB CYS A 13 -0.175 0.674 1.948 1.00 0.00 C ATOM 140 SG CYS A 13 0.820 1.779 3.000 1.00 0.00 S ATOM 0 H CYS A 13 0.176 -0.773 4.083 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.283 -1.350 1.229 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.125 1.028 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.218 0.738 2.257 1.00 0.00 H new ATOM 0 HG CYS A 13 0.373 2.995 2.897 1.00 0.00 H new ATOM 145 N HIS A 14 2.527 -1.329 2.678 1.00 0.00 N ATOM 146 CA HIS A 14 3.970 -1.475 2.518 1.00 0.00 C ATOM 147 C HIS A 14 4.625 -0.124 2.245 1.00 0.00 C ATOM 148 O HIS A 14 5.468 0.001 1.356 1.00 0.00 O ATOM 149 CB HIS A 14 4.282 -2.445 1.379 1.00 0.00 C ATOM 150 CG HIS A 14 3.894 -3.861 1.675 1.00 0.00 C ATOM 151 ND1 HIS A 14 4.432 -4.587 2.716 1.00 0.00 N ATOM 152 CD2 HIS A 14 3.013 -4.685 1.060 1.00 0.00 C ATOM 153 CE1 HIS A 14 3.901 -5.797 2.728 1.00 0.00 C ATOM 154 NE2 HIS A 14 3.036 -5.882 1.733 1.00 0.00 N ATOM 0 H HIS A 14 2.177 -1.586 3.601 1.00 0.00 H new ATOM 0 HA HIS A 14 4.376 -1.875 3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.763 -2.115 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.350 -2.407 1.163 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.131 -4.244 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.405 -4.445 0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.134 -6.583 3.431 1.00 0.00 H new ATOM 162 N LYS A 15 4.231 0.885 3.015 1.00 0.00 N ATOM 163 CA LYS A 15 4.780 2.227 2.858 1.00 0.00 C ATOM 164 C LYS A 15 5.745 2.556 3.992 1.00 0.00 C ATOM 165 O LYS A 15 5.341 2.678 5.149 1.00 0.00 O ATOM 166 CB LYS A 15 3.652 3.260 2.817 1.00 0.00 C ATOM 167 CG LYS A 15 4.126 4.666 2.494 1.00 0.00 C ATOM 168 CD LYS A 15 2.959 5.598 2.214 1.00 0.00 C ATOM 169 CE LYS A 15 3.365 7.057 2.352 1.00 0.00 C ATOM 170 NZ LYS A 15 2.442 7.962 1.612 1.00 0.00 N ATOM 0 H LYS A 15 3.533 0.799 3.754 1.00 0.00 H new ATOM 0 HA LYS A 15 5.329 2.260 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.917 2.954 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.144 3.269 3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.711 5.054 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.786 4.638 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.582 5.418 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.144 5.379 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.376 7.333 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.380 7.188 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.753 8.947 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.450 7.716 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.477 7.856 1.986 1.00 0.00 H new ATOM 184 N LYS A 16 7.021 2.701 3.654 1.00 0.00 N ATOM 185 CA LYS A 16 8.044 3.020 4.643 1.00 0.00 C ATOM 186 C LYS A 16 8.049 4.512 4.959 1.00 0.00 C ATOM 187 O LYS A 16 7.861 5.345 4.073 1.00 0.00 O ATOM 188 CB LYS A 16 9.423 2.590 4.138 1.00 0.00 C ATOM 189 CG LYS A 16 9.577 1.085 3.997 1.00 0.00 C ATOM 190 CD LYS A 16 11.004 0.642 4.276 1.00 0.00 C ATOM 191 CE LYS A 16 11.317 -0.685 3.602 1.00 0.00 C ATOM 192 NZ LYS A 16 12.637 -1.226 4.029 1.00 0.00 N ATOM 0 H LYS A 16 7.372 2.603 2.701 1.00 0.00 H new ATOM 0 HA LYS A 16 7.812 2.474 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.609 3.058 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.184 2.962 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.898 0.583 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.291 0.782 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.698 1.404 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.154 0.549 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.535 -1.406 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.311 -0.553 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.813 -2.131 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.387 -0.549 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.634 -1.376 5.058 1.00 0.00 H new ATOM 206 N PHE A 17 8.268 4.843 6.228 1.00 0.00 N ATOM 207 CA PHE A 17 8.298 6.235 6.660 1.00 0.00 C ATOM 208 C PHE A 17 9.596 6.546 7.400 1.00 0.00 C ATOM 209 O PHE A 17 10.444 5.672 7.585 1.00 0.00 O ATOM 210 CB PHE A 17 7.099 6.538 7.561 1.00 0.00 C ATOM 211 CG PHE A 17 5.775 6.357 6.877 1.00 0.00 C ATOM 212 CD1 PHE A 17 5.266 5.089 6.647 1.00 0.00 C ATOM 213 CD2 PHE A 17 5.038 7.455 6.463 1.00 0.00 C ATOM 214 CE1 PHE A 17 4.047 4.919 6.017 1.00 0.00 C ATOM 215 CE2 PHE A 17 3.819 7.292 5.833 1.00 0.00 C ATOM 216 CZ PHE A 17 3.323 6.022 5.609 1.00 0.00 C ATOM 0 H PHE A 17 8.427 4.166 6.974 1.00 0.00 H new ATOM 0 HA PHE A 17 8.245 6.866 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.139 5.889 8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.176 7.564 7.921 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.828 4.223 6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.421 8.450 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.662 3.925 5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.255 8.156 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.371 5.892 5.116 1.00 0.00 H new ATOM 226 N LEU A 18 9.744 7.798 7.821 1.00 0.00 N ATOM 227 CA LEU A 18 10.939 8.226 8.541 1.00 0.00 C ATOM 228 C LEU A 18 10.903 7.748 9.988 1.00 0.00 C ATOM 229 O LEU A 18 11.821 7.072 10.452 1.00 0.00 O ATOM 230 CB LEU A 18 11.064 9.750 8.498 1.00 0.00 C ATOM 231 CG LEU A 18 11.507 10.350 7.163 1.00 0.00 C ATOM 232 CD1 LEU A 18 10.478 10.063 6.081 1.00 0.00 C ATOM 233 CD2 LEU A 18 11.735 11.848 7.301 1.00 0.00 C ATOM 0 H LEU A 18 9.052 8.534 7.676 1.00 0.00 H new ATOM 0 HA LEU A 18 11.807 7.782 8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.099 10.181 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.774 10.058 9.265 1.00 0.00 H new ATOM 0 HG LEU A 18 12.449 9.885 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.810 10.498 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.364 8.985 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.521 10.500 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.050 12.258 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.809 12.330 7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.510 12.031 8.045 1.00 0.00 H new ATOM 245 N SER A 19 9.836 8.102 10.697 1.00 0.00 N ATOM 246 CA SER A 19 9.681 7.710 12.093 1.00 0.00 C ATOM 247 C SER A 19 8.343 7.011 12.316 1.00 0.00 C ATOM 248 O SER A 19 7.341 7.347 11.685 1.00 0.00 O ATOM 249 CB SER A 19 9.787 8.935 13.003 1.00 0.00 C ATOM 250 OG SER A 19 8.717 9.836 12.773 1.00 0.00 O ATOM 0 H SER A 19 9.066 8.660 10.328 1.00 0.00 H new ATOM 0 HA SER A 19 10.481 7.012 12.340 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.782 8.618 14.046 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.736 9.441 12.828 1.00 0.00 H new ATOM 0 HG SER A 19 8.630 10.002 11.811 1.00 0.00 H new ATOM 256 N LYS A 20 8.336 6.036 13.219 1.00 0.00 N ATOM 257 CA LYS A 20 7.123 5.288 13.528 1.00 0.00 C ATOM 258 C LYS A 20 5.929 6.226 13.676 1.00 0.00 C ATOM 259 O LYS A 20 4.860 5.979 13.117 1.00 0.00 O ATOM 260 CB LYS A 20 7.312 4.478 14.813 1.00 0.00 C ATOM 261 CG LYS A 20 6.520 3.183 14.837 1.00 0.00 C ATOM 262 CD LYS A 20 7.267 2.086 15.577 1.00 0.00 C ATOM 263 CE LYS A 20 7.312 2.355 17.074 1.00 0.00 C ATOM 264 NZ LYS A 20 8.012 1.268 17.812 1.00 0.00 N ATOM 0 H LYS A 20 9.157 5.745 13.750 1.00 0.00 H new ATOM 0 HA LYS A 20 6.926 4.605 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.371 4.249 14.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.017 5.090 15.665 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.556 3.354 15.315 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.317 2.861 13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.783 1.127 15.393 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.283 2.010 15.189 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.818 3.303 17.258 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.296 2.457 17.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.021 1.489 18.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.515 0.368 17.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.990 1.187 17.466 1.00 0.00 H new ATOM 278 N TYR A 21 6.118 7.302 14.431 1.00 0.00 N ATOM 279 CA TYR A 21 5.056 8.276 14.654 1.00 0.00 C ATOM 280 C TYR A 21 4.245 8.497 13.381 1.00 0.00 C ATOM 281 O TYR A 21 3.022 8.355 13.378 1.00 0.00 O ATOM 282 CB TYR A 21 5.645 9.604 15.134 1.00 0.00 C ATOM 283 CG TYR A 21 4.724 10.785 14.926 1.00 0.00 C ATOM 284 CD1 TYR A 21 3.735 11.091 15.853 1.00 0.00 C ATOM 285 CD2 TYR A 21 4.844 11.595 13.804 1.00 0.00 C ATOM 286 CE1 TYR A 21 2.892 12.169 15.666 1.00 0.00 C ATOM 287 CE2 TYR A 21 4.006 12.676 13.610 1.00 0.00 C ATOM 288 CZ TYR A 21 3.031 12.958 14.544 1.00 0.00 C ATOM 289 OH TYR A 21 2.193 14.034 14.356 1.00 0.00 O ATOM 0 H TYR A 21 6.997 7.522 14.899 1.00 0.00 H new ATOM 0 HA TYR A 21 4.392 7.882 15.423 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.885 9.523 16.194 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.582 9.788 14.608 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.624 10.476 16.734 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.606 11.376 13.070 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.128 12.393 16.395 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.114 13.296 12.733 1.00 0.00 H new ATOM 0 HH TYR A 21 2.424 14.486 13.518 1.00 0.00 H new ATOM 299 N TYR A 22 4.935 8.845 12.300 1.00 0.00 N ATOM 300 CA TYR A 22 4.280 9.088 11.021 1.00 0.00 C ATOM 301 C TYR A 22 3.513 7.853 10.558 1.00 0.00 C ATOM 302 O TYR A 22 2.433 7.960 9.976 1.00 0.00 O ATOM 303 CB TYR A 22 5.311 9.489 9.964 1.00 0.00 C ATOM 304 CG TYR A 22 5.919 10.853 10.197 1.00 0.00 C ATOM 305 CD1 TYR A 22 5.123 11.941 10.533 1.00 0.00 C ATOM 306 CD2 TYR A 22 7.289 11.055 10.081 1.00 0.00 C ATOM 307 CE1 TYR A 22 5.674 13.190 10.747 1.00 0.00 C ATOM 308 CE2 TYR A 22 7.848 12.300 10.294 1.00 0.00 C ATOM 309 CZ TYR A 22 7.037 13.364 10.626 1.00 0.00 C ATOM 310 OH TYR A 22 7.590 14.606 10.838 1.00 0.00 O ATOM 0 H TYR A 22 5.948 8.965 12.285 1.00 0.00 H new ATOM 0 HA TYR A 22 3.570 9.905 11.154 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.107 8.744 9.944 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.837 9.475 8.983 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.055 11.808 10.629 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.928 10.224 9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.041 14.025 11.008 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.915 12.439 10.201 1.00 0.00 H new ATOM 0 HH TYR A 22 8.561 14.557 10.715 1.00 0.00 H new ATOM 320 N LEU A 23 4.080 6.681 10.820 1.00 0.00 N ATOM 321 CA LEU A 23 3.452 5.423 10.431 1.00 0.00 C ATOM 322 C LEU A 23 2.200 5.160 11.263 1.00 0.00 C ATOM 323 O LEU A 23 1.090 5.108 10.733 1.00 0.00 O ATOM 324 CB LEU A 23 4.438 4.265 10.594 1.00 0.00 C ATOM 325 CG LEU A 23 3.887 2.868 10.307 1.00 0.00 C ATOM 326 CD1 LEU A 23 3.737 2.651 8.810 1.00 0.00 C ATOM 327 CD2 LEU A 23 4.789 1.804 10.915 1.00 0.00 C ATOM 0 H LEU A 23 4.974 6.575 11.300 1.00 0.00 H new ATOM 0 HA LEU A 23 3.161 5.500 9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.287 4.441 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.820 4.280 11.615 1.00 0.00 H new ATOM 0 HG LEU A 23 2.902 2.785 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.344 1.651 8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.050 3.393 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.709 2.753 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.382 0.816 10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.788 1.885 10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.845 1.947 11.994 1.00 0.00 H new ATOM 339 N LYS A 24 2.386 4.998 12.568 1.00 0.00 N ATOM 340 CA LYS A 24 1.273 4.744 13.475 1.00 0.00 C ATOM 341 C LYS A 24 0.094 5.658 13.157 1.00 0.00 C ATOM 342 O LYS A 24 -1.063 5.242 13.227 1.00 0.00 O ATOM 343 CB LYS A 24 1.714 4.948 14.926 1.00 0.00 C ATOM 344 CG LYS A 24 2.134 6.374 15.239 1.00 0.00 C ATOM 345 CD LYS A 24 2.363 6.573 16.728 1.00 0.00 C ATOM 346 CE LYS A 24 3.644 5.895 17.190 1.00 0.00 C ATOM 347 NZ LYS A 24 3.887 6.103 18.645 1.00 0.00 N ATOM 0 H LYS A 24 3.298 5.038 13.022 1.00 0.00 H new ATOM 0 HA LYS A 24 0.955 3.710 13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.896 4.665 15.589 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.546 4.277 15.142 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.047 6.613 14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.366 7.065 14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.414 7.639 16.950 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.516 6.171 17.284 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.586 4.827 16.980 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.488 6.286 16.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.769 5.626 18.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.968 7.121 18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.094 5.707 19.189 1.00 0.00 H new ATOM 361 N VAL A 25 0.394 6.905 12.807 1.00 0.00 N ATOM 362 CA VAL A 25 -0.641 7.876 12.476 1.00 0.00 C ATOM 363 C VAL A 25 -1.298 7.546 11.140 1.00 0.00 C ATOM 364 O VAL A 25 -2.514 7.665 10.988 1.00 0.00 O ATOM 365 CB VAL A 25 -0.070 9.306 12.415 1.00 0.00 C ATOM 366 CG1 VAL A 25 -1.136 10.287 11.950 1.00 0.00 C ATOM 367 CG2 VAL A 25 0.488 9.714 13.770 1.00 0.00 C ATOM 0 H VAL A 25 1.346 7.266 12.746 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.388 7.824 13.268 1.00 0.00 H new ATOM 0 HB VAL A 25 0.745 9.323 11.692 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.715 11.292 11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.484 10.003 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.974 10.271 12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.887 10.726 13.709 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.307 9.681 14.515 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.284 9.027 14.058 1.00 0.00 H new ATOM 377 N HIS A 26 -0.485 7.130 10.174 1.00 0.00 N ATOM 378 CA HIS A 26 -0.988 6.780 8.850 1.00 0.00 C ATOM 379 C HIS A 26 -1.761 5.465 8.892 1.00 0.00 C ATOM 380 O HIS A 26 -2.935 5.413 8.528 1.00 0.00 O ATOM 381 CB HIS A 26 0.168 6.675 7.854 1.00 0.00 C ATOM 382 CG HIS A 26 -0.095 5.720 6.730 1.00 0.00 C ATOM 383 ND1 HIS A 26 -0.088 4.367 6.698 1.00 0.00 N flip ATOM 384 CD2 HIS A 26 -0.410 6.131 5.452 1.00 0.00 C flip ATOM 385 CE1 HIS A 26 -0.395 3.989 5.414 1.00 0.00 C flip ATOM 386 NE2 HIS A 26 -0.586 5.072 4.683 1.00 0.00 N flip ATOM 0 H HIS A 26 0.524 7.027 10.283 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.667 7.569 8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.371 7.663 7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.067 6.360 8.385 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.499 7.158 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.468 2.971 5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.828 5.088 3.692 1.00 0.00 H new ATOM 394 N ASN A 27 -1.093 4.406 9.337 1.00 0.00 N ATOM 395 CA ASN A 27 -1.717 3.091 9.425 1.00 0.00 C ATOM 396 C ASN A 27 -3.186 3.211 9.819 1.00 0.00 C ATOM 397 O ASN A 27 -4.043 2.512 9.278 1.00 0.00 O ATOM 398 CB ASN A 27 -0.975 2.218 10.439 1.00 0.00 C ATOM 399 CG ASN A 27 -1.761 0.978 10.820 1.00 0.00 C ATOM 400 OD1 ASN A 27 -2.700 0.588 10.126 1.00 0.00 O ATOM 401 ND2 ASN A 27 -1.380 0.354 11.928 1.00 0.00 N ATOM 0 H ASN A 27 -0.120 4.433 9.642 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.660 2.623 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.012 1.921 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.768 2.803 11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.872 -0.485 12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.596 0.714 12.472 1.00 0.00 H new ATOM 543 N PHE A 36 -15.028 -9.154 8.777 1.00 0.00 N ATOM 544 CA PHE A 36 -14.667 -10.384 8.081 1.00 0.00 C ATOM 545 C PHE A 36 -14.123 -10.080 6.688 1.00 0.00 C ATOM 546 O PHE A 36 -14.601 -9.172 6.008 1.00 0.00 O ATOM 547 CB PHE A 36 -15.881 -11.310 7.976 1.00 0.00 C ATOM 548 CG PHE A 36 -16.519 -11.615 9.301 1.00 0.00 C ATOM 549 CD1 PHE A 36 -16.021 -12.624 10.109 1.00 0.00 C ATOM 550 CD2 PHE A 36 -17.616 -10.891 9.738 1.00 0.00 C ATOM 551 CE1 PHE A 36 -16.607 -12.907 11.328 1.00 0.00 C ATOM 552 CE2 PHE A 36 -18.207 -11.169 10.957 1.00 0.00 C ATOM 553 CZ PHE A 36 -17.700 -12.177 11.754 1.00 0.00 C ATOM 0 HA PHE A 36 -13.887 -10.883 8.656 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -16.622 -10.851 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -15.575 -12.244 7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -15.165 -13.196 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -18.014 -10.100 9.120 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.211 -13.698 11.947 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -19.064 -10.599 11.285 1.00 0.00 H new ATOM 0 HZ PHE A 36 -18.157 -12.394 12.708 1.00 0.00 H new ATOM 563 N GLU A 37 -13.120 -10.846 6.271 1.00 0.00 N ATOM 564 CA GLU A 37 -12.510 -10.658 4.960 1.00 0.00 C ATOM 565 C GLU A 37 -11.897 -11.960 4.453 1.00 0.00 C ATOM 566 O GLU A 37 -11.578 -12.856 5.236 1.00 0.00 O ATOM 567 CB GLU A 37 -11.437 -9.568 5.024 1.00 0.00 C ATOM 568 CG GLU A 37 -10.795 -9.267 3.680 1.00 0.00 C ATOM 569 CD GLU A 37 -10.179 -7.882 3.626 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.801 -6.936 4.152 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.076 -7.745 3.058 1.00 0.00 O ATOM 0 H GLU A 37 -12.713 -11.602 6.822 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.291 -10.350 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.882 -8.654 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.662 -9.873 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.026 -10.011 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.545 -9.358 2.894 1.00 0.00 H new ATOM 578 N CYS A 38 -11.737 -12.059 3.138 1.00 0.00 N ATOM 579 CA CYS A 38 -11.164 -13.251 2.524 1.00 0.00 C ATOM 580 C CYS A 38 -9.655 -13.303 2.741 1.00 0.00 C ATOM 581 O CYS A 38 -8.899 -12.481 2.223 1.00 0.00 O ATOM 582 CB CYS A 38 -11.476 -13.279 1.027 1.00 0.00 C ATOM 583 SG CYS A 38 -11.205 -14.900 0.241 1.00 0.00 S ATOM 0 H CYS A 38 -11.996 -11.327 2.476 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.612 -14.124 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.515 -12.984 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.858 -12.535 0.524 1.00 0.00 H new ATOM 0 HG CYS A 38 -10.587 -15.687 1.071 1.00 0.00 H new ATOM 588 N PRO A 39 -9.204 -14.293 3.526 1.00 0.00 N ATOM 589 CA PRO A 39 -7.781 -14.477 3.829 1.00 0.00 C ATOM 590 C PRO A 39 -6.985 -14.944 2.615 1.00 0.00 C ATOM 591 O PRO A 39 -5.777 -15.164 2.699 1.00 0.00 O ATOM 592 CB PRO A 39 -7.787 -15.558 4.913 1.00 0.00 C ATOM 593 CG PRO A 39 -9.051 -16.312 4.689 1.00 0.00 C ATOM 594 CD PRO A 39 -10.047 -15.309 4.177 1.00 0.00 C ATOM 0 HA PRO A 39 -7.306 -13.546 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.917 -16.209 4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.759 -15.119 5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.903 -17.117 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.400 -16.772 5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.747 -15.761 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.639 -14.881 4.986 1.00 0.00 H new ATOM 602 N LYS A 40 -7.670 -15.094 1.486 1.00 0.00 N ATOM 603 CA LYS A 40 -7.028 -15.533 0.254 1.00 0.00 C ATOM 604 C LYS A 40 -6.750 -14.349 -0.667 1.00 0.00 C ATOM 605 O LYS A 40 -5.662 -14.230 -1.231 1.00 0.00 O ATOM 606 CB LYS A 40 -7.907 -16.558 -0.467 1.00 0.00 C ATOM 607 CG LYS A 40 -8.177 -17.809 0.351 1.00 0.00 C ATOM 608 CD LYS A 40 -7.101 -18.860 0.134 1.00 0.00 C ATOM 609 CE LYS A 40 -7.036 -19.839 1.296 1.00 0.00 C ATOM 610 NZ LYS A 40 -6.122 -20.980 1.010 1.00 0.00 N ATOM 0 H LYS A 40 -8.671 -14.918 1.400 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.078 -15.998 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.857 -16.091 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.426 -16.843 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.226 -17.550 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.149 -18.220 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.302 -19.403 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.134 -18.372 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.697 -19.318 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.036 -20.219 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.105 -21.624 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.459 -21.493 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.162 -20.620 0.833 1.00 0.00 H new ATOM 624 N CYS A 41 -7.740 -13.475 -0.815 1.00 0.00 N ATOM 625 CA CYS A 41 -7.603 -12.300 -1.666 1.00 0.00 C ATOM 626 C CYS A 41 -7.636 -11.020 -0.836 1.00 0.00 C ATOM 627 O CYS A 41 -6.844 -10.104 -1.055 1.00 0.00 O ATOM 628 CB CYS A 41 -8.718 -12.270 -2.714 1.00 0.00 C ATOM 629 SG CYS A 41 -10.393 -12.134 -2.013 1.00 0.00 S ATOM 0 H CYS A 41 -8.647 -13.559 -0.356 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.639 -12.360 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.548 -11.429 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.660 -13.177 -3.316 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.665 -13.205 -1.328 1.00 0.00 H new ATOM 634 N GLY A 42 -8.559 -10.964 0.120 1.00 0.00 N ATOM 635 CA GLY A 42 -8.678 -9.794 0.969 1.00 0.00 C ATOM 636 C GLY A 42 -9.925 -8.985 0.669 1.00 0.00 C ATOM 637 O GLY A 42 -9.908 -7.756 0.734 1.00 0.00 O ATOM 0 H GLY A 42 -9.226 -11.709 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.694 -10.106 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.799 -9.163 0.838 1.00 0.00 H new ATOM 641 N LYS A 43 -11.011 -9.675 0.338 1.00 0.00 N ATOM 642 CA LYS A 43 -12.273 -9.015 0.027 1.00 0.00 C ATOM 643 C LYS A 43 -13.166 -8.939 1.260 1.00 0.00 C ATOM 644 O LYS A 43 -13.521 -9.964 1.846 1.00 0.00 O ATOM 645 CB LYS A 43 -12.998 -9.759 -1.097 1.00 0.00 C ATOM 646 CG LYS A 43 -13.781 -8.847 -2.025 1.00 0.00 C ATOM 647 CD LYS A 43 -15.184 -8.590 -1.501 1.00 0.00 C ATOM 648 CE LYS A 43 -15.857 -7.448 -2.248 1.00 0.00 C ATOM 649 NZ LYS A 43 -15.174 -6.147 -2.003 1.00 0.00 N ATOM 0 H LYS A 43 -11.042 -10.693 0.278 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.052 -8.000 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.267 -10.317 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.679 -10.488 -0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.254 -7.899 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.839 -9.297 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.783 -9.495 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.139 -8.354 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.857 -7.663 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.899 -7.375 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.828 -5.366 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.879 -6.092 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.338 -6.073 -2.617 1.00 0.00 H new ATOM 663 N CYS A 44 -13.528 -7.722 1.649 1.00 0.00 N ATOM 664 CA CYS A 44 -14.382 -7.513 2.814 1.00 0.00 C ATOM 665 C CYS A 44 -15.764 -8.119 2.590 1.00 0.00 C ATOM 666 O CYS A 44 -16.191 -8.312 1.452 1.00 0.00 O ATOM 667 CB CYS A 44 -14.509 -6.020 3.118 1.00 0.00 C ATOM 668 SG CYS A 44 -15.366 -5.076 1.836 1.00 0.00 S ATOM 0 H CYS A 44 -13.244 -6.865 1.175 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.921 -8.011 3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -15.040 -5.896 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.512 -5.602 3.256 1.00 0.00 H new ATOM 0 HG CYS A 44 -15.425 -3.825 2.185 1.00 0.00 H new ATOM 674 N TYR A 45 -16.456 -8.417 3.684 1.00 0.00 N ATOM 675 CA TYR A 45 -17.789 -9.005 3.607 1.00 0.00 C ATOM 676 C TYR A 45 -18.479 -8.969 4.968 1.00 0.00 C ATOM 677 O TYR A 45 -18.119 -9.714 5.879 1.00 0.00 O ATOM 678 CB TYR A 45 -17.705 -10.447 3.104 1.00 0.00 C ATOM 679 CG TYR A 45 -17.847 -10.574 1.604 1.00 0.00 C ATOM 680 CD1 TYR A 45 -18.978 -10.100 0.951 1.00 0.00 C ATOM 681 CD2 TYR A 45 -16.850 -11.169 0.840 1.00 0.00 C ATOM 682 CE1 TYR A 45 -19.112 -10.214 -0.419 1.00 0.00 C ATOM 683 CE2 TYR A 45 -16.975 -11.286 -0.531 1.00 0.00 C ATOM 684 CZ TYR A 45 -18.108 -10.807 -1.156 1.00 0.00 C ATOM 685 OH TYR A 45 -18.238 -10.924 -2.521 1.00 0.00 O ATOM 0 H TYR A 45 -16.117 -8.262 4.633 1.00 0.00 H new ATOM 0 HA TYR A 45 -18.378 -8.416 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.749 -10.874 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.485 -11.037 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -19.766 -9.634 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.963 -11.546 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -19.998 -9.841 -0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.190 -11.750 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.443 -11.364 -2.889 1.00 0.00 H new ATOM 695 N PHE A 46 -19.473 -8.097 5.096 1.00 0.00 N ATOM 696 CA PHE A 46 -20.215 -7.962 6.344 1.00 0.00 C ATOM 697 C PHE A 46 -20.665 -9.326 6.860 1.00 0.00 C ATOM 698 O PHE A 46 -20.468 -9.655 8.029 1.00 0.00 O ATOM 699 CB PHE A 46 -21.430 -7.053 6.144 1.00 0.00 C ATOM 700 CG PHE A 46 -21.222 -5.995 5.099 1.00 0.00 C ATOM 701 CD1 PHE A 46 -20.616 -4.792 5.425 1.00 0.00 C ATOM 702 CD2 PHE A 46 -21.631 -6.203 3.792 1.00 0.00 C ATOM 703 CE1 PHE A 46 -20.423 -3.816 4.465 1.00 0.00 C ATOM 704 CE2 PHE A 46 -21.440 -5.230 2.828 1.00 0.00 C ATOM 705 CZ PHE A 46 -20.835 -4.035 3.165 1.00 0.00 C ATOM 0 H PHE A 46 -19.783 -7.473 4.351 1.00 0.00 H new ATOM 0 HA PHE A 46 -19.553 -7.514 7.085 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -22.289 -7.664 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -21.675 -6.573 7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -20.291 -4.615 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -22.104 -7.136 3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -19.950 -2.882 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -21.764 -5.404 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 46 -20.684 -3.274 2.414 1.00 0.00 H new ATOM 715 N ARG A 47 -21.271 -10.114 5.978 1.00 0.00 N ATOM 716 CA ARG A 47 -21.751 -11.442 6.344 1.00 0.00 C ATOM 717 C ARG A 47 -20.657 -12.488 6.150 1.00 0.00 C ATOM 718 O ARG A 47 -19.901 -12.439 5.179 1.00 0.00 O ATOM 719 CB ARG A 47 -22.979 -11.811 5.509 1.00 0.00 C ATOM 720 CG ARG A 47 -22.677 -11.996 4.031 1.00 0.00 C ATOM 721 CD ARG A 47 -22.791 -10.684 3.271 1.00 0.00 C ATOM 722 NE ARG A 47 -23.239 -10.885 1.896 1.00 0.00 N ATOM 723 CZ ARG A 47 -23.647 -9.899 1.104 1.00 0.00 C ATOM 724 NH1 ARG A 47 -23.663 -8.651 1.549 1.00 0.00 N ATOM 725 NH2 ARG A 47 -24.039 -10.162 -0.136 1.00 0.00 N ATOM 0 H ARG A 47 -21.441 -9.857 5.006 1.00 0.00 H new ATOM 0 HA ARG A 47 -22.029 -11.423 7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.411 -12.732 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -23.733 -11.032 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.672 -12.401 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -23.367 -12.725 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -23.490 -10.026 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.823 -10.182 3.267 1.00 0.00 H new ATOM 0 HE ARG A 47 -23.239 -11.834 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -23.362 -8.445 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.977 -7.896 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -24.027 -11.121 -0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.352 -9.405 -0.743 1.00 0.00 H new ATOM 739 N LYS A 48 -20.579 -13.434 7.080 1.00 0.00 N ATOM 740 CA LYS A 48 -19.579 -14.493 7.012 1.00 0.00 C ATOM 741 C LYS A 48 -20.055 -15.634 6.119 1.00 0.00 C ATOM 742 O LYS A 48 -19.248 -16.321 5.493 1.00 0.00 O ATOM 743 CB LYS A 48 -19.272 -15.023 8.414 1.00 0.00 C ATOM 744 CG LYS A 48 -18.315 -16.203 8.423 1.00 0.00 C ATOM 745 CD LYS A 48 -16.870 -15.750 8.297 1.00 0.00 C ATOM 746 CE LYS A 48 -15.916 -16.752 8.928 1.00 0.00 C ATOM 747 NZ LYS A 48 -14.512 -16.539 8.480 1.00 0.00 N ATOM 0 H LYS A 48 -21.197 -13.489 7.890 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.670 -14.073 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.847 -14.217 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.205 -15.319 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.441 -16.768 9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.559 -16.877 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.619 -15.620 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.749 -14.779 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.967 -16.668 10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.230 -17.764 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.893 -17.242 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.458 -16.644 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.203 -15.583 8.748 1.00 0.00 H new ATOM 761 N GLU A 49 -21.369 -15.828 6.064 1.00 0.00 N ATOM 762 CA GLU A 49 -21.950 -16.886 5.246 1.00 0.00 C ATOM 763 C GLU A 49 -21.502 -16.759 3.792 1.00 0.00 C ATOM 764 O GLU A 49 -20.947 -17.695 3.219 1.00 0.00 O ATOM 765 CB GLU A 49 -23.477 -16.842 5.326 1.00 0.00 C ATOM 766 CG GLU A 49 -24.020 -17.051 6.730 1.00 0.00 C ATOM 767 CD GLU A 49 -23.895 -15.811 7.594 1.00 0.00 C ATOM 768 OE1 GLU A 49 -23.868 -14.696 7.032 1.00 0.00 O ATOM 769 OE2 GLU A 49 -23.824 -15.957 8.832 1.00 0.00 O ATOM 0 H GLU A 49 -22.050 -15.267 6.575 1.00 0.00 H new ATOM 0 HA GLU A 49 -21.600 -17.843 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -23.824 -15.879 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -23.889 -17.608 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -25.068 -17.344 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -23.486 -17.875 7.203 1.00 0.00 H new ATOM 776 N ASN A 50 -21.748 -15.593 3.204 1.00 0.00 N ATOM 777 CA ASN A 50 -21.372 -15.342 1.817 1.00 0.00 C ATOM 778 C ASN A 50 -19.857 -15.401 1.646 1.00 0.00 C ATOM 779 O ASN A 50 -19.346 -16.104 0.773 1.00 0.00 O ATOM 780 CB ASN A 50 -21.895 -13.978 1.363 1.00 0.00 C ATOM 781 CG ASN A 50 -23.326 -14.045 0.864 1.00 0.00 C ATOM 782 OD1 ASN A 50 -23.608 -13.722 -0.290 1.00 0.00 O ATOM 783 ND2 ASN A 50 -24.237 -14.465 1.735 1.00 0.00 N ATOM 0 H ASN A 50 -22.206 -14.807 3.666 1.00 0.00 H new ATOM 0 HA ASN A 50 -21.821 -16.119 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -21.835 -13.274 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -21.254 -13.592 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -25.216 -14.530 1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.957 -14.722 2.681 1.00 0.00 H new ATOM 790 N LEU A 51 -19.143 -14.658 2.485 1.00 0.00 N ATOM 791 CA LEU A 51 -17.686 -14.625 2.427 1.00 0.00 C ATOM 792 C LEU A 51 -17.112 -16.036 2.347 1.00 0.00 C ATOM 793 O LEU A 51 -16.190 -16.300 1.574 1.00 0.00 O ATOM 794 CB LEU A 51 -17.124 -13.903 3.653 1.00 0.00 C ATOM 795 CG LEU A 51 -15.637 -14.121 3.938 1.00 0.00 C ATOM 796 CD1 LEU A 51 -14.791 -13.597 2.788 1.00 0.00 C ATOM 797 CD2 LEU A 51 -15.240 -13.450 5.244 1.00 0.00 C ATOM 0 H LEU A 51 -19.549 -14.071 3.213 1.00 0.00 H new ATOM 0 HA LEU A 51 -17.395 -14.083 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.297 -12.834 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.691 -14.220 4.528 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.458 -15.192 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.736 -13.761 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.056 -14.124 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.973 -12.530 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.179 -13.616 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.434 -12.379 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.822 -13.873 6.062 1.00 0.00 H new ATOM 809 N LEU A 52 -17.665 -16.940 3.148 1.00 0.00 N ATOM 810 CA LEU A 52 -17.210 -18.326 3.167 1.00 0.00 C ATOM 811 C LEU A 52 -17.346 -18.962 1.787 1.00 0.00 C ATOM 812 O LEU A 52 -16.451 -19.673 1.331 1.00 0.00 O ATOM 813 CB LEU A 52 -18.008 -19.132 4.193 1.00 0.00 C ATOM 814 CG LEU A 52 -17.649 -18.893 5.660 1.00 0.00 C ATOM 815 CD1 LEU A 52 -18.628 -19.614 6.574 1.00 0.00 C ATOM 816 CD2 LEU A 52 -16.223 -19.344 5.941 1.00 0.00 C ATOM 0 H LEU A 52 -18.429 -16.738 3.793 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.157 -18.333 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.066 -18.908 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.876 -20.192 3.975 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.717 -17.824 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.356 -19.432 7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.637 -19.243 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.594 -20.685 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.985 -19.166 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.128 -20.408 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.533 -18.782 5.312 1.00 0.00 H new ATOM 828 N GLU A 53 -18.470 -18.700 1.128 1.00 0.00 N ATOM 829 CA GLU A 53 -18.721 -19.246 -0.200 1.00 0.00 C ATOM 830 C GLU A 53 -17.694 -18.730 -1.204 1.00 0.00 C ATOM 831 O GLU A 53 -16.927 -19.504 -1.778 1.00 0.00 O ATOM 832 CB GLU A 53 -20.133 -18.883 -0.666 1.00 0.00 C ATOM 833 CG GLU A 53 -21.227 -19.661 0.045 1.00 0.00 C ATOM 834 CD GLU A 53 -22.518 -19.710 -0.748 1.00 0.00 C ATOM 835 OE1 GLU A 53 -22.784 -18.756 -1.509 1.00 0.00 O ATOM 836 OE2 GLU A 53 -23.263 -20.703 -0.608 1.00 0.00 O ATOM 0 H GLU A 53 -19.221 -18.113 1.492 1.00 0.00 H new ATOM 0 HA GLU A 53 -18.633 -20.331 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.296 -17.817 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.210 -19.062 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.881 -20.678 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.419 -19.205 1.016 1.00 0.00 H new ATOM 843 N HIS A 54 -17.685 -17.417 -1.411 1.00 0.00 N ATOM 844 CA HIS A 54 -16.753 -16.797 -2.345 1.00 0.00 C ATOM 845 C HIS A 54 -15.401 -17.504 -2.314 1.00 0.00 C ATOM 846 O HIS A 54 -14.867 -17.886 -3.354 1.00 0.00 O ATOM 847 CB HIS A 54 -16.574 -15.315 -2.012 1.00 0.00 C ATOM 848 CG HIS A 54 -15.238 -14.768 -2.411 1.00 0.00 C ATOM 849 ND1 HIS A 54 -14.004 -14.986 -1.899 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -15.068 -13.881 -3.453 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -13.120 -14.236 -2.635 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -13.787 -13.579 -3.566 1.00 0.00 N flip ATOM 0 H HIS A 54 -18.313 -16.762 -0.944 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.168 -16.889 -3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -17.356 -14.742 -2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -16.710 -15.173 -0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.858 -13.494 -4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.052 -14.191 -2.478 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.382 -12.946 -4.255 1.00 0.00 H new ATOM 860 N GLU A 55 -14.855 -17.673 -1.114 1.00 0.00 N ATOM 861 CA GLU A 55 -13.565 -18.333 -0.949 1.00 0.00 C ATOM 862 C GLU A 55 -13.418 -19.493 -1.929 1.00 0.00 C ATOM 863 O GLU A 55 -12.375 -19.656 -2.561 1.00 0.00 O ATOM 864 CB GLU A 55 -13.407 -18.840 0.486 1.00 0.00 C ATOM 865 CG GLU A 55 -12.745 -17.837 1.417 1.00 0.00 C ATOM 866 CD GLU A 55 -12.125 -18.493 2.635 1.00 0.00 C ATOM 867 OE1 GLU A 55 -11.163 -19.272 2.465 1.00 0.00 O ATOM 868 OE2 GLU A 55 -12.601 -18.229 3.759 1.00 0.00 O ATOM 0 H GLU A 55 -15.285 -17.363 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.783 -17.603 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.390 -19.097 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.818 -19.757 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.975 -17.293 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.484 -17.104 1.740 1.00 0.00 H new ATOM 875 N ALA A 56 -14.470 -20.296 -2.049 1.00 0.00 N ATOM 876 CA ALA A 56 -14.459 -21.439 -2.953 1.00 0.00 C ATOM 877 C ALA A 56 -15.047 -21.072 -4.311 1.00 0.00 C ATOM 878 O ALA A 56 -14.505 -21.441 -5.353 1.00 0.00 O ATOM 879 CB ALA A 56 -15.225 -22.603 -2.341 1.00 0.00 C ATOM 0 H ALA A 56 -15.341 -20.176 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.422 -21.740 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.209 -23.450 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.759 -22.890 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.257 -22.304 -2.159 1.00 0.00 H new ATOM 885 N ARG A 57 -16.159 -20.343 -4.291 1.00 0.00 N ATOM 886 CA ARG A 57 -16.821 -19.928 -5.522 1.00 0.00 C ATOM 887 C ARG A 57 -15.848 -19.199 -6.444 1.00 0.00 C ATOM 888 O ARG A 57 -15.560 -19.660 -7.547 1.00 0.00 O ATOM 889 CB ARG A 57 -18.013 -19.023 -5.204 1.00 0.00 C ATOM 890 CG ARG A 57 -19.107 -19.064 -6.259 1.00 0.00 C ATOM 891 CD ARG A 57 -18.662 -18.393 -7.548 1.00 0.00 C ATOM 892 NE ARG A 57 -18.015 -19.333 -8.460 1.00 0.00 N ATOM 893 CZ ARG A 57 -18.662 -20.304 -9.095 1.00 0.00 C ATOM 894 NH1 ARG A 57 -19.967 -20.462 -8.919 1.00 0.00 N ATOM 895 NH2 ARG A 57 -18.004 -21.120 -9.908 1.00 0.00 N ATOM 0 H ARG A 57 -16.619 -20.028 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.177 -20.823 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -18.435 -19.317 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.661 -17.997 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.380 -20.100 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.000 -18.568 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.525 -17.946 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.973 -17.581 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.012 -19.239 -8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.477 -19.837 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.461 -21.209 -9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.000 -21.002 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.502 -21.865 -10.395 1.00 0.00 H new ATOM 909 N ASN A 58 -15.346 -18.058 -5.983 1.00 0.00 N ATOM 910 CA ASN A 58 -14.406 -17.265 -6.767 1.00 0.00 C ATOM 911 C ASN A 58 -13.414 -16.543 -5.859 1.00 0.00 C ATOM 912 O ASN A 58 -13.733 -16.204 -4.719 1.00 0.00 O ATOM 913 CB ASN A 58 -15.158 -16.249 -7.629 1.00 0.00 C ATOM 914 CG ASN A 58 -15.652 -16.849 -8.931 1.00 0.00 C ATOM 915 OD1 ASN A 58 -15.013 -17.734 -9.501 1.00 0.00 O ATOM 916 ND2 ASN A 58 -16.794 -16.368 -9.409 1.00 0.00 N ATOM 0 H ASN A 58 -15.574 -17.662 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.851 -17.942 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.006 -15.857 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.503 -15.405 -7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.175 -16.732 -10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.290 -15.634 -8.903 1.00 0.00 H new ATOM 1031 N VAL A 66 5.552 -12.783 -9.198 1.00 0.00 N ATOM 1032 CA VAL A 66 6.200 -11.816 -8.320 1.00 0.00 C ATOM 1033 C VAL A 66 7.509 -11.318 -8.921 1.00 0.00 C ATOM 1034 O VAL A 66 7.961 -11.818 -9.952 1.00 0.00 O ATOM 1035 CB VAL A 66 6.482 -12.420 -6.931 1.00 0.00 C ATOM 1036 CG1 VAL A 66 5.183 -12.816 -6.247 1.00 0.00 C ATOM 1037 CG2 VAL A 66 7.417 -13.614 -7.050 1.00 0.00 C ATOM 0 HA VAL A 66 5.512 -10.977 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 66 6.971 -11.664 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.402 -13.241 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.552 -11.936 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.663 -13.556 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.606 -14.029 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.957 -14.375 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.359 -13.295 -7.495 1.00 0.00 H new ATOM 1047 N PHE A 67 8.115 -10.330 -8.270 1.00 0.00 N ATOM 1048 CA PHE A 67 9.373 -9.763 -8.741 1.00 0.00 C ATOM 1049 C PHE A 67 10.471 -9.934 -7.695 1.00 0.00 C ATOM 1050 O PHE A 67 10.194 -10.178 -6.520 1.00 0.00 O ATOM 1051 CB PHE A 67 9.196 -8.280 -9.073 1.00 0.00 C ATOM 1052 CG PHE A 67 8.240 -8.030 -10.204 1.00 0.00 C ATOM 1053 CD1 PHE A 67 6.892 -8.317 -10.066 1.00 0.00 C ATOM 1054 CD2 PHE A 67 8.690 -7.506 -11.406 1.00 0.00 C ATOM 1055 CE1 PHE A 67 6.009 -8.087 -11.105 1.00 0.00 C ATOM 1056 CE2 PHE A 67 7.812 -7.274 -12.448 1.00 0.00 C ATOM 1057 CZ PHE A 67 6.471 -7.566 -12.298 1.00 0.00 C ATOM 0 H PHE A 67 7.755 -9.906 -7.415 1.00 0.00 H new ATOM 0 HA PHE A 67 9.668 -10.297 -9.644 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.841 -7.757 -8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.167 -7.854 -9.327 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.526 -8.725 -9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.738 -7.277 -11.530 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.960 -8.314 -10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.175 -6.864 -13.379 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.784 -7.387 -13.112 1.00 0.00 H new ATOM 1067 N THR A 68 11.720 -9.805 -8.131 1.00 0.00 N ATOM 1068 CA THR A 68 12.861 -9.946 -7.235 1.00 0.00 C ATOM 1069 C THR A 68 13.755 -8.713 -7.284 1.00 0.00 C ATOM 1070 O THR A 68 14.155 -8.266 -8.360 1.00 0.00 O ATOM 1071 CB THR A 68 13.700 -11.189 -7.586 1.00 0.00 C ATOM 1072 OG1 THR A 68 12.899 -12.370 -7.468 1.00 0.00 O ATOM 1073 CG2 THR A 68 14.912 -11.299 -6.673 1.00 0.00 C ATOM 0 H THR A 68 11.967 -9.603 -9.100 1.00 0.00 H new ATOM 0 HA THR A 68 12.460 -10.060 -6.228 1.00 0.00 H new ATOM 0 HB THR A 68 14.047 -11.087 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.439 -13.156 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.489 -12.184 -6.940 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.535 -10.412 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.581 -11.380 -5.638 1.00 0.00 H new ATOM 1081 N CYS A 69 14.067 -8.166 -6.114 1.00 0.00 N ATOM 1082 CA CYS A 69 14.915 -6.984 -6.023 1.00 0.00 C ATOM 1083 C CYS A 69 16.262 -7.227 -6.698 1.00 0.00 C ATOM 1084 O CYS A 69 16.573 -8.348 -7.101 1.00 0.00 O ATOM 1085 CB CYS A 69 15.129 -6.596 -4.559 1.00 0.00 C ATOM 1086 SG CYS A 69 15.607 -4.855 -4.313 1.00 0.00 S ATOM 0 H CYS A 69 13.745 -8.523 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 69 14.412 -6.166 -6.539 1.00 0.00 H new ATOM 0 HB2 CYS A 69 14.211 -6.791 -4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 69 15.901 -7.237 -4.133 1.00 0.00 H new ATOM 0 HG CYS A 69 16.614 -4.793 -3.493 1.00 0.00 H new ATOM 1091 N SER A 70 17.057 -6.169 -6.818 1.00 0.00 N ATOM 1092 CA SER A 70 18.369 -6.266 -7.447 1.00 0.00 C ATOM 1093 C SER A 70 19.479 -6.024 -6.429 1.00 0.00 C ATOM 1094 O SER A 70 20.661 -6.008 -6.774 1.00 0.00 O ATOM 1095 CB SER A 70 18.484 -5.258 -8.593 1.00 0.00 C ATOM 1096 OG SER A 70 19.670 -5.468 -9.339 1.00 0.00 O ATOM 0 H SER A 70 16.816 -5.235 -6.488 1.00 0.00 H new ATOM 0 HA SER A 70 18.480 -7.274 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.618 -5.347 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.477 -4.244 -8.192 1.00 0.00 H new ATOM 0 HG SER A 70 20.394 -5.733 -8.734 1.00 0.00 H new ATOM 1102 N VAL A 71 19.090 -5.837 -5.172 1.00 0.00 N ATOM 1103 CA VAL A 71 20.051 -5.597 -4.102 1.00 0.00 C ATOM 1104 C VAL A 71 19.900 -6.626 -2.987 1.00 0.00 C ATOM 1105 O VAL A 71 20.881 -7.222 -2.541 1.00 0.00 O ATOM 1106 CB VAL A 71 19.888 -4.185 -3.508 1.00 0.00 C ATOM 1107 CG1 VAL A 71 20.852 -3.980 -2.348 1.00 0.00 C ATOM 1108 CG2 VAL A 71 20.100 -3.128 -4.581 1.00 0.00 C ATOM 0 H VAL A 71 18.116 -5.847 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 71 21.044 -5.686 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 71 18.872 -4.084 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.723 -2.977 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 71 20.648 -4.716 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.876 -4.099 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 71 19.981 -2.137 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 71 21.104 -3.225 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 71 19.367 -3.264 -5.376 1.00 0.00 H new ATOM 1118 N CYS A 72 18.665 -6.831 -2.542 1.00 0.00 N ATOM 1119 CA CYS A 72 18.384 -7.789 -1.479 1.00 0.00 C ATOM 1120 C CYS A 72 17.564 -8.962 -2.007 1.00 0.00 C ATOM 1121 O CYS A 72 17.262 -9.901 -1.271 1.00 0.00 O ATOM 1122 CB CYS A 72 17.636 -7.105 -0.333 1.00 0.00 C ATOM 1123 SG CYS A 72 16.028 -6.396 -0.812 1.00 0.00 S ATOM 0 H CYS A 72 17.842 -6.346 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 72 19.335 -8.171 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.478 -7.829 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 72 18.264 -6.312 0.074 1.00 0.00 H new ATOM 0 HG CYS A 72 16.042 -6.106 -2.079 1.00 0.00 H new ATOM 1128 N GLN A 73 17.209 -8.901 -3.286 1.00 0.00 N ATOM 1129 CA GLN A 73 16.425 -9.958 -3.912 1.00 0.00 C ATOM 1130 C GLN A 73 15.078 -10.123 -3.215 1.00 0.00 C ATOM 1131 O GLN A 73 14.559 -11.233 -3.102 1.00 0.00 O ATOM 1132 CB GLN A 73 17.194 -11.280 -3.880 1.00 0.00 C ATOM 1133 CG GLN A 73 18.631 -11.160 -4.361 1.00 0.00 C ATOM 1134 CD GLN A 73 18.756 -10.331 -5.625 1.00 0.00 C ATOM 1135 OE1 GLN A 73 18.363 -10.767 -6.708 1.00 0.00 O ATOM 1136 NE2 GLN A 73 19.305 -9.129 -5.493 1.00 0.00 N ATOM 0 H GLN A 73 17.452 -8.131 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 73 16.245 -9.676 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.192 -11.667 -2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.672 -12.009 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 73 19.237 -10.710 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 73 19.034 -12.156 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 73 19.616 -8.808 -4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 73 19.415 -8.526 -6.308 1.00 0.00 H new ATOM 1145 N GLU A 74 14.519 -9.011 -2.748 1.00 0.00 N ATOM 1146 CA GLU A 74 13.234 -9.033 -2.061 1.00 0.00 C ATOM 1147 C GLU A 74 12.153 -9.645 -2.947 1.00 0.00 C ATOM 1148 O GLU A 74 12.433 -10.129 -4.045 1.00 0.00 O ATOM 1149 CB GLU A 74 12.827 -7.618 -1.646 1.00 0.00 C ATOM 1150 CG GLU A 74 12.112 -7.558 -0.306 1.00 0.00 C ATOM 1151 CD GLU A 74 12.672 -8.546 0.699 1.00 0.00 C ATOM 1152 OE1 GLU A 74 12.184 -9.695 0.737 1.00 0.00 O ATOM 1153 OE2 GLU A 74 13.599 -8.170 1.446 1.00 0.00 O ATOM 0 H GLU A 74 14.936 -8.084 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 74 13.340 -9.649 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.718 -6.991 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.178 -7.196 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.191 -6.549 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.051 -7.759 -0.455 1.00 0.00 H new ATOM 1160 N THR A 75 10.915 -9.621 -2.464 1.00 0.00 N ATOM 1161 CA THR A 75 9.792 -10.174 -3.210 1.00 0.00 C ATOM 1162 C THR A 75 8.662 -9.158 -3.338 1.00 0.00 C ATOM 1163 O THR A 75 8.215 -8.584 -2.344 1.00 0.00 O ATOM 1164 CB THR A 75 9.246 -11.450 -2.541 1.00 0.00 C ATOM 1165 OG1 THR A 75 9.108 -11.242 -1.130 1.00 0.00 O ATOM 1166 CG2 THR A 75 10.168 -12.632 -2.797 1.00 0.00 C ATOM 0 H THR A 75 10.665 -9.224 -1.558 1.00 0.00 H new ATOM 0 HA THR A 75 10.166 -10.424 -4.203 1.00 0.00 H new ATOM 0 HB THR A 75 8.270 -11.671 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.733 -10.351 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.762 -13.521 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.248 -12.805 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.156 -12.418 -2.390 1.00 0.00 H new ATOM 1174 N PHE A 76 8.205 -8.940 -4.566 1.00 0.00 N ATOM 1175 CA PHE A 76 7.127 -7.992 -4.823 1.00 0.00 C ATOM 1176 C PHE A 76 6.102 -8.583 -5.787 1.00 0.00 C ATOM 1177 O PHE A 76 6.407 -8.847 -6.950 1.00 0.00 O ATOM 1178 CB PHE A 76 7.691 -6.690 -5.396 1.00 0.00 C ATOM 1179 CG PHE A 76 8.915 -6.200 -4.678 1.00 0.00 C ATOM 1180 CD1 PHE A 76 10.169 -6.692 -5.003 1.00 0.00 C ATOM 1181 CD2 PHE A 76 8.813 -5.246 -3.678 1.00 0.00 C ATOM 1182 CE1 PHE A 76 11.298 -6.243 -4.345 1.00 0.00 C ATOM 1183 CE2 PHE A 76 9.939 -4.793 -3.016 1.00 0.00 C ATOM 1184 CZ PHE A 76 11.183 -5.293 -3.349 1.00 0.00 C ATOM 0 H PHE A 76 8.564 -9.407 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 76 6.630 -7.779 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.932 -6.840 -6.448 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.921 -5.920 -5.352 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.265 -7.436 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.843 -4.852 -3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.269 -6.634 -4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.846 -4.049 -2.239 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.064 -4.942 -2.832 1.00 0.00 H new ATOM 1194 N ARG A 77 4.885 -8.788 -5.293 1.00 0.00 N ATOM 1195 CA ARG A 77 3.815 -9.349 -6.109 1.00 0.00 C ATOM 1196 C ARG A 77 3.711 -8.621 -7.446 1.00 0.00 C ATOM 1197 O ARG A 77 3.371 -9.221 -8.466 1.00 0.00 O ATOM 1198 CB ARG A 77 2.480 -9.264 -5.366 1.00 0.00 C ATOM 1199 CG ARG A 77 2.041 -7.841 -5.064 1.00 0.00 C ATOM 1200 CD ARG A 77 2.458 -7.413 -3.665 1.00 0.00 C ATOM 1201 NE ARG A 77 1.811 -6.170 -3.257 1.00 0.00 N ATOM 1202 CZ ARG A 77 1.461 -5.901 -2.004 1.00 0.00 C ATOM 1203 NH1 ARG A 77 1.695 -6.783 -1.043 1.00 0.00 N ATOM 1204 NH2 ARG A 77 0.876 -4.746 -1.711 1.00 0.00 N ATOM 0 H ARG A 77 4.616 -8.574 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 77 4.051 -10.396 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.710 -9.754 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.559 -9.817 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.475 -7.162 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.958 -7.765 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.208 -8.202 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.540 -7.286 -3.632 1.00 0.00 H new ATOM 0 HE ARG A 77 1.617 -5.470 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.145 -7.671 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.425 -6.574 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.695 -4.065 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.607 -4.540 -0.749 1.00 0.00 H new ATOM 1218 N ARG A 78 4.007 -7.325 -7.433 1.00 0.00 N ATOM 1219 CA ARG A 78 3.945 -6.516 -8.644 1.00 0.00 C ATOM 1220 C ARG A 78 5.274 -5.807 -8.892 1.00 0.00 C ATOM 1221 O ARG A 78 6.171 -5.836 -8.049 1.00 0.00 O ATOM 1222 CB ARG A 78 2.818 -5.486 -8.538 1.00 0.00 C ATOM 1223 CG ARG A 78 1.453 -6.102 -8.279 1.00 0.00 C ATOM 1224 CD ARG A 78 0.543 -5.143 -7.528 1.00 0.00 C ATOM 1225 NE ARG A 78 -0.184 -4.256 -8.434 1.00 0.00 N ATOM 1226 CZ ARG A 78 -1.325 -4.587 -9.028 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -1.867 -5.778 -8.813 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -1.926 -3.725 -9.838 1.00 0.00 N ATOM 0 H ARG A 78 4.292 -6.814 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 78 3.744 -7.180 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.050 -4.787 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.777 -4.908 -9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.991 -6.377 -9.227 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.570 -7.020 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.168 -5.712 -6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.137 -4.546 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 78 0.206 -3.332 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.408 -6.442 -8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.743 -6.030 -9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.512 -2.808 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.802 -3.979 -10.294 1.00 0.00 H new ATOM 1242 N ARG A 79 5.392 -5.173 -10.054 1.00 0.00 N ATOM 1243 CA ARG A 79 6.611 -4.459 -10.414 1.00 0.00 C ATOM 1244 C ARG A 79 6.693 -3.121 -9.685 1.00 0.00 C ATOM 1245 O ARG A 79 7.586 -2.902 -8.867 1.00 0.00 O ATOM 1246 CB ARG A 79 6.668 -4.233 -11.926 1.00 0.00 C ATOM 1247 CG ARG A 79 7.853 -3.393 -12.372 1.00 0.00 C ATOM 1248 CD ARG A 79 8.298 -3.760 -13.779 1.00 0.00 C ATOM 1249 NE ARG A 79 7.486 -3.101 -14.799 1.00 0.00 N ATOM 1250 CZ ARG A 79 7.926 -2.821 -16.021 1.00 0.00 C ATOM 1251 NH1 ARG A 79 9.164 -3.140 -16.372 1.00 0.00 N ATOM 1252 NH2 ARG A 79 7.127 -2.220 -16.893 1.00 0.00 N ATOM 0 H ARG A 79 4.659 -5.139 -10.762 1.00 0.00 H new ATOM 0 HA ARG A 79 7.462 -5.070 -10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.709 -5.200 -12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.747 -3.746 -12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.585 -2.337 -12.338 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.682 -3.534 -11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.344 -3.482 -13.913 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.236 -4.841 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 79 6.529 -2.842 -14.560 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.781 -3.601 -15.703 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.500 -2.924 -17.311 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.174 -1.973 -16.625 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.465 -2.005 -17.831 1.00 0.00 H new ATOM 1266 N MET A 80 5.756 -2.230 -9.989 1.00 0.00 N ATOM 1267 CA MET A 80 5.722 -0.913 -9.362 1.00 0.00 C ATOM 1268 C MET A 80 6.223 -0.983 -7.923 1.00 0.00 C ATOM 1269 O MET A 80 7.072 -0.192 -7.514 1.00 0.00 O ATOM 1270 CB MET A 80 4.301 -0.347 -9.392 1.00 0.00 C ATOM 1271 CG MET A 80 4.140 0.935 -8.591 1.00 0.00 C ATOM 1272 SD MET A 80 4.446 2.413 -9.578 1.00 0.00 S ATOM 1273 CE MET A 80 6.223 2.323 -9.782 1.00 0.00 C ATOM 0 H MET A 80 5.010 -2.395 -10.665 1.00 0.00 H new ATOM 0 HA MET A 80 6.381 -0.253 -9.926 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.016 -0.157 -10.427 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.612 -1.097 -9.004 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.131 0.979 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.827 0.919 -7.745 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.633 3.331 -9.852 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.662 1.811 -8.925 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.457 1.772 -10.693 1.00 0.00 H new ATOM 1283 N GLU A 81 5.692 -1.935 -7.162 1.00 0.00 N ATOM 1284 CA GLU A 81 6.087 -2.105 -5.768 1.00 0.00 C ATOM 1285 C GLU A 81 7.606 -2.120 -5.631 1.00 0.00 C ATOM 1286 O GLU A 81 8.177 -1.364 -4.844 1.00 0.00 O ATOM 1287 CB GLU A 81 5.500 -3.401 -5.204 1.00 0.00 C ATOM 1288 CG GLU A 81 3.981 -3.432 -5.204 1.00 0.00 C ATOM 1289 CD GLU A 81 3.376 -2.399 -4.273 1.00 0.00 C ATOM 1290 OE1 GLU A 81 3.320 -2.659 -3.053 1.00 0.00 O ATOM 1291 OE2 GLU A 81 2.960 -1.329 -4.766 1.00 0.00 O ATOM 0 H GLU A 81 4.989 -2.599 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 81 5.697 -1.260 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.872 -4.243 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.858 -3.538 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.618 -3.259 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.642 -4.425 -4.909 1.00 0.00 H new ATOM 1298 N LEU A 82 8.256 -2.986 -6.401 1.00 0.00 N ATOM 1299 CA LEU A 82 9.709 -3.101 -6.366 1.00 0.00 C ATOM 1300 C LEU A 82 10.368 -1.738 -6.554 1.00 0.00 C ATOM 1301 O LEU A 82 11.373 -1.430 -5.914 1.00 0.00 O ATOM 1302 CB LEU A 82 10.191 -4.067 -7.450 1.00 0.00 C ATOM 1303 CG LEU A 82 11.668 -3.966 -7.831 1.00 0.00 C ATOM 1304 CD1 LEU A 82 12.551 -4.269 -6.630 1.00 0.00 C ATOM 1305 CD2 LEU A 82 11.988 -4.909 -8.982 1.00 0.00 C ATOM 0 H LEU A 82 7.799 -3.619 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 82 9.994 -3.490 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.992 -5.085 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.593 -3.903 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 82 11.870 -2.946 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.599 -4.192 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.341 -3.554 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.346 -5.278 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.044 -4.824 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.769 -5.934 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.381 -4.645 -9.848 1.00 0.00 H new ATOM 1317 N ARG A 83 9.793 -0.926 -7.435 1.00 0.00 N ATOM 1318 CA ARG A 83 10.324 0.405 -7.707 1.00 0.00 C ATOM 1319 C ARG A 83 10.279 1.275 -6.454 1.00 0.00 C ATOM 1320 O ARG A 83 11.259 1.935 -6.108 1.00 0.00 O ATOM 1321 CB ARG A 83 9.533 1.073 -8.833 1.00 0.00 C ATOM 1322 CG ARG A 83 9.372 0.198 -10.065 1.00 0.00 C ATOM 1323 CD ARG A 83 10.659 0.130 -10.872 1.00 0.00 C ATOM 1324 NE ARG A 83 10.792 -1.138 -11.585 1.00 0.00 N ATOM 1325 CZ ARG A 83 11.912 -1.533 -12.178 1.00 0.00 C ATOM 1326 NH1 ARG A 83 12.991 -0.764 -12.145 1.00 0.00 N ATOM 1327 NH2 ARG A 83 11.955 -2.701 -12.807 1.00 0.00 N ATOM 0 H ARG A 83 8.960 -1.166 -7.972 1.00 0.00 H new ATOM 0 HA ARG A 83 11.363 0.297 -8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.546 1.346 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.033 1.999 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.077 -0.807 -9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.570 0.591 -10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.682 0.952 -11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.512 0.263 -10.206 1.00 0.00 H new ATOM 0 HE ARG A 83 9.980 -1.754 -11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.962 0.134 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.850 -1.071 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.127 -3.296 -12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.816 -3.004 -13.262 1.00 0.00 H new ATOM 1341 N LEU A 84 9.135 1.270 -5.778 1.00 0.00 N ATOM 1342 CA LEU A 84 8.961 2.059 -4.563 1.00 0.00 C ATOM 1343 C LEU A 84 9.848 1.531 -3.440 1.00 0.00 C ATOM 1344 O LEU A 84 10.051 2.202 -2.427 1.00 0.00 O ATOM 1345 CB LEU A 84 7.496 2.039 -4.124 1.00 0.00 C ATOM 1346 CG LEU A 84 6.459 2.092 -5.246 1.00 0.00 C ATOM 1347 CD1 LEU A 84 5.050 2.039 -4.674 1.00 0.00 C ATOM 1348 CD2 LEU A 84 6.647 3.346 -6.088 1.00 0.00 C ATOM 0 H LEU A 84 8.315 0.729 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 84 9.254 3.086 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.325 1.135 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.325 2.885 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 84 6.602 1.223 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.325 2.078 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.919 1.112 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.895 2.889 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.900 3.367 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.532 4.228 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.644 3.343 -6.528 1.00 0.00 H new ATOM 1360 N HIS A 85 10.375 0.325 -3.625 1.00 0.00 N ATOM 1361 CA HIS A 85 11.242 -0.292 -2.629 1.00 0.00 C ATOM 1362 C HIS A 85 12.705 0.048 -2.896 1.00 0.00 C ATOM 1363 O HIS A 85 13.474 0.300 -1.969 1.00 0.00 O ATOM 1364 CB HIS A 85 11.052 -1.809 -2.625 1.00 0.00 C ATOM 1365 CG HIS A 85 12.180 -2.553 -1.978 1.00 0.00 C ATOM 1366 ND1 HIS A 85 12.167 -2.935 -0.653 1.00 0.00 N ATOM 1367 CD2 HIS A 85 13.358 -2.987 -2.483 1.00 0.00 C ATOM 1368 CE1 HIS A 85 13.291 -3.570 -0.370 1.00 0.00 C ATOM 1369 NE2 HIS A 85 14.031 -3.616 -1.463 1.00 0.00 N ATOM 0 H HIS A 85 10.216 -0.244 -4.456 1.00 0.00 H new ATOM 0 HA HIS A 85 10.968 0.103 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.124 -2.049 -2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.941 -2.156 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.705 -2.862 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.559 -3.982 0.592 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.952 -4.048 -1.538 1.00 0.00 H new ATOM 1377 N MET A 86 13.083 0.052 -4.171 1.00 0.00 N ATOM 1378 CA MET A 86 14.454 0.362 -4.560 1.00 0.00 C ATOM 1379 C MET A 86 14.911 1.679 -3.940 1.00 0.00 C ATOM 1380 O MET A 86 16.088 1.853 -3.624 1.00 0.00 O ATOM 1381 CB MET A 86 14.570 0.434 -6.083 1.00 0.00 C ATOM 1382 CG MET A 86 14.225 -0.871 -6.782 1.00 0.00 C ATOM 1383 SD MET A 86 15.685 -1.851 -7.183 1.00 0.00 S ATOM 1384 CE MET A 86 16.392 -2.088 -5.555 1.00 0.00 C ATOM 0 H MET A 86 12.460 -0.156 -4.951 1.00 0.00 H new ATOM 0 HA MET A 86 15.099 -0.435 -4.191 1.00 0.00 H new ATOM 0 HB2 MET A 86 13.911 1.220 -6.452 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.588 0.721 -6.348 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.563 -1.457 -6.144 1.00 0.00 H new ATOM 0 HG3 MET A 86 13.675 -0.654 -7.698 1.00 0.00 H new ATOM 0 HE1 MET A 86 17.071 -2.941 -5.574 1.00 0.00 H new ATOM 0 HE2 MET A 86 16.942 -1.193 -5.263 1.00 0.00 H new ATOM 0 HE3 MET A 86 15.595 -2.275 -4.836 1.00 0.00 H new ATOM 1394 N VAL A 87 13.972 2.605 -3.770 1.00 0.00 N ATOM 1395 CA VAL A 87 14.278 3.906 -3.188 1.00 0.00 C ATOM 1396 C VAL A 87 15.061 3.756 -1.888 1.00 0.00 C ATOM 1397 O VAL A 87 15.915 4.583 -1.567 1.00 0.00 O ATOM 1398 CB VAL A 87 12.996 4.713 -2.912 1.00 0.00 C ATOM 1399 CG1 VAL A 87 12.095 4.721 -4.137 1.00 0.00 C ATOM 1400 CG2 VAL A 87 12.262 4.150 -1.704 1.00 0.00 C ATOM 0 H VAL A 87 12.993 2.478 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 87 14.887 4.443 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 87 13.277 5.743 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.194 5.296 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.624 5.175 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.820 3.698 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.358 4.732 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.992 3.111 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.909 4.203 -0.828 1.00 0.00 H new ATOM 1410 N SER A 88 14.764 2.695 -1.144 1.00 0.00 N ATOM 1411 CA SER A 88 15.438 2.438 0.123 1.00 0.00 C ATOM 1412 C SER A 88 16.910 2.104 -0.102 1.00 0.00 C ATOM 1413 O SER A 88 17.756 2.366 0.753 1.00 0.00 O ATOM 1414 CB SER A 88 14.751 1.291 0.867 1.00 0.00 C ATOM 1415 OG SER A 88 13.507 1.705 1.404 1.00 0.00 O ATOM 0 H SER A 88 14.061 2.000 -1.397 1.00 0.00 H new ATOM 0 HA SER A 88 15.377 3.342 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.597 0.453 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.397 0.935 1.670 1.00 0.00 H new ATOM 0 HG SER A 88 13.087 0.954 1.873 1.00 0.00 H new ATOM 1421 N HIS A 89 17.207 1.522 -1.260 1.00 0.00 N ATOM 1422 CA HIS A 89 18.577 1.151 -1.599 1.00 0.00 C ATOM 1423 C HIS A 89 19.347 2.353 -2.138 1.00 0.00 C ATOM 1424 O HIS A 89 20.421 2.691 -1.639 1.00 0.00 O ATOM 1425 CB HIS A 89 18.581 0.023 -2.631 1.00 0.00 C ATOM 1426 CG HIS A 89 18.277 -1.323 -2.048 1.00 0.00 C ATOM 1427 ND1 HIS A 89 18.976 -1.859 -0.987 1.00 0.00 N ATOM 1428 CD2 HIS A 89 17.341 -2.242 -2.383 1.00 0.00 C ATOM 1429 CE1 HIS A 89 18.485 -3.050 -0.696 1.00 0.00 C ATOM 1430 NE2 HIS A 89 17.491 -3.306 -1.528 1.00 0.00 N ATOM 0 H HIS A 89 16.519 1.297 -1.978 1.00 0.00 H new ATOM 0 HA HIS A 89 19.070 0.804 -0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 89 17.848 0.248 -3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.557 -0.012 -3.115 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.612 -2.155 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.836 -3.704 0.089 1.00 0.00 H new ATOM 0 HE2 HIS A 89 16.927 -4.156 -1.534 1.00 0.00 H new ATOM 1438 N THR A 90 18.792 2.994 -3.162 1.00 0.00 N ATOM 1439 CA THR A 90 19.428 4.156 -3.770 1.00 0.00 C ATOM 1440 C THR A 90 19.413 5.350 -2.823 1.00 0.00 C ATOM 1441 O THR A 90 20.387 6.096 -2.733 1.00 0.00 O ATOM 1442 CB THR A 90 18.732 4.552 -5.087 1.00 0.00 C ATOM 1443 OG1 THR A 90 19.398 5.676 -5.674 1.00 0.00 O ATOM 1444 CG2 THR A 90 17.269 4.892 -4.845 1.00 0.00 C ATOM 0 H THR A 90 17.904 2.728 -3.587 1.00 0.00 H new ATOM 0 HA THR A 90 20.460 3.876 -3.982 1.00 0.00 H new ATOM 0 HB THR A 90 18.783 3.703 -5.769 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.951 5.921 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.799 5.168 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 90 16.759 4.025 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.200 5.727 -4.147 1.00 0.00 H new ATOM 1452 N GLY A 91 18.300 5.525 -2.115 1.00 0.00 N ATOM 1453 CA GLY A 91 18.180 6.630 -1.183 1.00 0.00 C ATOM 1454 C GLY A 91 16.833 7.319 -1.270 1.00 0.00 C ATOM 1455 O GLY A 91 16.105 7.399 -0.281 1.00 0.00 O ATOM 0 H GLY A 91 17.480 4.921 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.332 6.263 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.969 7.355 -1.381 1.00 0.00 H new ATOM 1505 N TYR A 95 12.198 11.697 -9.172 1.00 0.00 N ATOM 1506 CA TYR A 95 11.260 12.800 -9.338 1.00 0.00 C ATOM 1507 C TYR A 95 10.487 13.058 -8.048 1.00 0.00 C ATOM 1508 O TYR A 95 10.311 12.159 -7.226 1.00 0.00 O ATOM 1509 CB TYR A 95 10.285 12.501 -10.478 1.00 0.00 C ATOM 1510 CG TYR A 95 10.966 12.229 -11.801 1.00 0.00 C ATOM 1511 CD1 TYR A 95 11.334 13.272 -12.642 1.00 0.00 C ATOM 1512 CD2 TYR A 95 11.240 10.930 -12.210 1.00 0.00 C ATOM 1513 CE1 TYR A 95 11.955 13.029 -13.852 1.00 0.00 C ATOM 1514 CE2 TYR A 95 11.862 10.678 -13.417 1.00 0.00 C ATOM 1515 CZ TYR A 95 12.218 11.730 -14.235 1.00 0.00 C ATOM 1516 OH TYR A 95 12.836 11.483 -15.439 1.00 0.00 O ATOM 0 HA TYR A 95 11.832 13.695 -9.583 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.677 11.638 -10.208 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.606 13.346 -10.595 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.131 14.290 -12.345 1.00 0.00 H new ATOM 0 HD2 TYR A 95 10.962 10.103 -11.573 1.00 0.00 H new ATOM 0 HE1 TYR A 95 12.233 13.851 -14.494 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.069 9.662 -13.719 1.00 0.00 H new ATOM 0 HH TYR A 95 12.266 10.904 -15.987 1.00 0.00 H new ATOM 1526 N LYS A 96 10.028 14.293 -7.878 1.00 0.00 N ATOM 1527 CA LYS A 96 9.271 14.672 -6.690 1.00 0.00 C ATOM 1528 C LYS A 96 8.373 15.870 -6.977 1.00 0.00 C ATOM 1529 O LYS A 96 8.684 16.704 -7.828 1.00 0.00 O ATOM 1530 CB LYS A 96 10.223 14.999 -5.538 1.00 0.00 C ATOM 1531 CG LYS A 96 10.481 13.824 -4.610 1.00 0.00 C ATOM 1532 CD LYS A 96 11.839 13.933 -3.936 1.00 0.00 C ATOM 1533 CE LYS A 96 12.961 13.510 -4.872 1.00 0.00 C ATOM 1534 NZ LYS A 96 14.294 13.944 -4.371 1.00 0.00 N ATOM 0 H LYS A 96 10.167 15.049 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 96 8.642 13.829 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.173 15.342 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.809 15.825 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.700 13.780 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.428 12.894 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.003 14.960 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.854 13.309 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.951 12.426 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.789 13.935 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.032 13.637 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.313 14.980 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.470 13.518 -3.439 1.00 0.00 H new ATOM 1548 N CYS A 97 7.257 15.952 -6.260 1.00 0.00 N ATOM 1549 CA CYS A 97 6.313 17.049 -6.436 1.00 0.00 C ATOM 1550 C CYS A 97 6.704 18.247 -5.576 1.00 0.00 C ATOM 1551 O CYS A 97 7.730 18.227 -4.897 1.00 0.00 O ATOM 1552 CB CYS A 97 4.896 16.592 -6.081 1.00 0.00 C ATOM 1553 SG CYS A 97 3.593 17.340 -7.112 1.00 0.00 S ATOM 0 H CYS A 97 6.984 15.271 -5.551 1.00 0.00 H new ATOM 0 HA CYS A 97 6.338 17.353 -7.483 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.841 15.507 -6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 97 4.700 16.831 -5.036 1.00 0.00 H new ATOM 0 HG CYS A 97 2.580 16.528 -7.188 1.00 0.00 H new ATOM 1558 N SER A 98 5.878 19.288 -5.610 1.00 0.00 N ATOM 1559 CA SER A 98 6.139 20.496 -4.836 1.00 0.00 C ATOM 1560 C SER A 98 4.958 20.825 -3.927 1.00 0.00 C ATOM 1561 O SER A 98 5.137 21.180 -2.763 1.00 0.00 O ATOM 1562 CB SER A 98 6.422 21.674 -5.770 1.00 0.00 C ATOM 1563 OG SER A 98 7.220 22.653 -5.128 1.00 0.00 O ATOM 0 H SER A 98 5.023 19.319 -6.165 1.00 0.00 H new ATOM 0 HA SER A 98 7.015 20.317 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.929 21.318 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.481 22.121 -6.092 1.00 0.00 H new ATOM 0 HG SER A 98 7.388 23.395 -5.746 1.00 0.00 H new ATOM 1569 N SER A 99 3.751 20.703 -4.469 1.00 0.00 N ATOM 1570 CA SER A 99 2.540 20.990 -3.710 1.00 0.00 C ATOM 1571 C SER A 99 2.292 19.917 -2.654 1.00 0.00 C ATOM 1572 O SER A 99 1.984 20.222 -1.502 1.00 0.00 O ATOM 1573 CB SER A 99 1.335 21.086 -4.648 1.00 0.00 C ATOM 1574 OG SER A 99 1.156 22.412 -5.115 1.00 0.00 O ATOM 0 H SER A 99 3.586 20.407 -5.431 1.00 0.00 H new ATOM 0 HA SER A 99 2.676 21.947 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.475 20.415 -5.495 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.437 20.757 -4.126 1.00 0.00 H new ATOM 0 HG SER A 99 0.381 22.446 -5.714 1.00 0.00 H new ATOM 1580 N CYS A 100 2.430 18.658 -3.057 1.00 0.00 N ATOM 1581 CA CYS A 100 2.222 17.537 -2.148 1.00 0.00 C ATOM 1582 C CYS A 100 3.552 16.903 -1.752 1.00 0.00 C ATOM 1583 O CYS A 100 3.626 16.141 -0.789 1.00 0.00 O ATOM 1584 CB CYS A 100 1.317 16.488 -2.797 1.00 0.00 C ATOM 1585 SG CYS A 100 2.087 15.604 -4.192 1.00 0.00 S ATOM 0 H CYS A 100 2.685 18.389 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 100 1.739 17.917 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 100 1.019 15.762 -2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 100 0.407 16.975 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 100 2.429 16.458 -5.111 1.00 0.00 H new ATOM 1590 N SER A 101 4.601 17.224 -2.503 1.00 0.00 N ATOM 1591 CA SER A 101 5.928 16.683 -2.234 1.00 0.00 C ATOM 1592 C SER A 101 5.952 15.172 -2.443 1.00 0.00 C ATOM 1593 O SER A 101 6.638 14.447 -1.724 1.00 0.00 O ATOM 1594 CB SER A 101 6.358 17.019 -0.805 1.00 0.00 C ATOM 1595 OG SER A 101 7.073 18.241 -0.761 1.00 0.00 O ATOM 0 H SER A 101 4.557 17.856 -3.302 1.00 0.00 H new ATOM 0 HA SER A 101 6.628 17.139 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.479 17.085 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.980 16.216 -0.411 1.00 0.00 H new ATOM 0 HG SER A 101 7.335 18.434 0.164 1.00 0.00 H new ATOM 1601 N GLN A 102 5.198 14.706 -3.433 1.00 0.00 N ATOM 1602 CA GLN A 102 5.131 13.282 -3.737 1.00 0.00 C ATOM 1603 C GLN A 102 6.454 12.786 -4.312 1.00 0.00 C ATOM 1604 O GLN A 102 7.434 13.528 -4.367 1.00 0.00 O ATOM 1605 CB GLN A 102 3.996 13.001 -4.723 1.00 0.00 C ATOM 1606 CG GLN A 102 2.671 12.682 -4.051 1.00 0.00 C ATOM 1607 CD GLN A 102 2.479 11.196 -3.817 1.00 0.00 C ATOM 1608 OE1 GLN A 102 3.238 10.569 -3.076 1.00 0.00 O ATOM 1609 NE2 GLN A 102 1.461 10.624 -4.448 1.00 0.00 N ATOM 0 H GLN A 102 4.625 15.294 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 102 4.935 12.747 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.866 13.868 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.280 12.165 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.616 13.206 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.855 13.057 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.857 11.182 -5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.282 9.627 -4.329 1.00 0.00 H new ATOM 1618 N GLN A 103 6.474 11.527 -4.737 1.00 0.00 N ATOM 1619 CA GLN A 103 7.677 10.932 -5.306 1.00 0.00 C ATOM 1620 C GLN A 103 7.327 9.978 -6.443 1.00 0.00 C ATOM 1621 O GLN A 103 6.357 9.225 -6.360 1.00 0.00 O ATOM 1622 CB GLN A 103 8.465 10.189 -4.225 1.00 0.00 C ATOM 1623 CG GLN A 103 8.780 11.042 -3.007 1.00 0.00 C ATOM 1624 CD GLN A 103 9.603 10.301 -1.973 1.00 0.00 C ATOM 1625 OE1 GLN A 103 9.237 10.240 -0.799 1.00 0.00 O ATOM 1626 NE2 GLN A 103 10.723 9.733 -2.403 1.00 0.00 N ATOM 0 H GLN A 103 5.671 10.899 -4.698 1.00 0.00 H new ATOM 0 HA GLN A 103 8.294 11.736 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.896 9.315 -3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.398 9.824 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.319 11.935 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.848 11.377 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.989 9.808 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.318 9.221 -1.751 1.00 0.00 H new ATOM 1635 N PHE A 104 8.124 10.014 -7.506 1.00 0.00 N ATOM 1636 CA PHE A 104 7.898 9.154 -8.662 1.00 0.00 C ATOM 1637 C PHE A 104 9.219 8.624 -9.212 1.00 0.00 C ATOM 1638 O PHE A 104 10.294 9.040 -8.782 1.00 0.00 O ATOM 1639 CB PHE A 104 7.146 9.917 -9.754 1.00 0.00 C ATOM 1640 CG PHE A 104 5.847 10.509 -9.286 1.00 0.00 C ATOM 1641 CD1 PHE A 104 5.834 11.624 -8.464 1.00 0.00 C ATOM 1642 CD2 PHE A 104 4.639 9.949 -9.669 1.00 0.00 C ATOM 1643 CE1 PHE A 104 4.640 12.170 -8.032 1.00 0.00 C ATOM 1644 CE2 PHE A 104 3.441 10.491 -9.240 1.00 0.00 C ATOM 1645 CZ PHE A 104 3.442 11.603 -8.421 1.00 0.00 C ATOM 0 H PHE A 104 8.933 10.630 -7.591 1.00 0.00 H new ATOM 0 HA PHE A 104 7.293 8.306 -8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.784 10.715 -10.133 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.949 9.243 -10.588 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.768 12.072 -8.157 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.633 9.080 -10.310 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.644 13.039 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.506 10.045 -9.545 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.508 12.028 -8.085 1.00 0.00 H new ATOM 1655 N MET A 105 9.128 7.704 -10.167 1.00 0.00 N ATOM 1656 CA MET A 105 10.316 7.118 -10.778 1.00 0.00 C ATOM 1657 C MET A 105 10.495 7.618 -12.208 1.00 0.00 C ATOM 1658 O MET A 105 11.605 7.616 -12.740 1.00 0.00 O ATOM 1659 CB MET A 105 10.220 5.591 -10.767 1.00 0.00 C ATOM 1660 CG MET A 105 10.613 4.966 -9.438 1.00 0.00 C ATOM 1661 SD MET A 105 12.384 5.070 -9.119 1.00 0.00 S ATOM 1662 CE MET A 105 12.393 5.365 -7.352 1.00 0.00 C ATOM 0 H MET A 105 8.245 7.348 -10.534 1.00 0.00 H new ATOM 0 HA MET A 105 11.184 7.425 -10.194 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.198 5.298 -11.009 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.861 5.189 -11.552 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.073 5.464 -8.633 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.307 3.920 -9.428 1.00 0.00 H new ATOM 0 HE1 MET A 105 13.338 5.022 -6.931 1.00 0.00 H new ATOM 0 HE2 MET A 105 12.276 6.432 -7.161 1.00 0.00 H new ATOM 0 HE3 MET A 105 11.570 4.821 -6.888 1.00 0.00 H new ATOM 1672 N GLN A 106 9.397 8.045 -12.823 1.00 0.00 N ATOM 1673 CA GLN A 106 9.434 8.546 -14.191 1.00 0.00 C ATOM 1674 C GLN A 106 8.964 9.996 -14.253 1.00 0.00 C ATOM 1675 O GLN A 106 8.148 10.430 -13.439 1.00 0.00 O ATOM 1676 CB GLN A 106 8.564 7.676 -15.100 1.00 0.00 C ATOM 1677 CG GLN A 106 8.771 6.184 -14.894 1.00 0.00 C ATOM 1678 CD GLN A 106 8.577 5.387 -16.168 1.00 0.00 C ATOM 1679 OE1 GLN A 106 9.192 5.677 -17.195 1.00 0.00 O ATOM 1680 NE2 GLN A 106 7.720 4.375 -16.110 1.00 0.00 N ATOM 0 H GLN A 106 8.471 8.054 -12.395 1.00 0.00 H new ATOM 0 HA GLN A 106 10.466 8.503 -14.539 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.516 7.917 -14.924 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.778 7.924 -16.140 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.776 6.010 -14.511 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.074 5.826 -14.136 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.232 4.170 -15.238 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.550 3.803 -16.937 1.00 0.00 H new ATOM 1689 N LYS A 107 9.484 10.740 -15.222 1.00 0.00 N ATOM 1690 CA LYS A 107 9.118 12.141 -15.392 1.00 0.00 C ATOM 1691 C LYS A 107 7.657 12.275 -15.809 1.00 0.00 C ATOM 1692 O LYS A 107 6.914 13.085 -15.255 1.00 0.00 O ATOM 1693 CB LYS A 107 10.020 12.803 -16.436 1.00 0.00 C ATOM 1694 CG LYS A 107 9.761 14.290 -16.610 1.00 0.00 C ATOM 1695 CD LYS A 107 10.851 14.953 -17.435 1.00 0.00 C ATOM 1696 CE LYS A 107 10.985 16.430 -17.097 1.00 0.00 C ATOM 1697 NZ LYS A 107 11.542 16.637 -15.731 1.00 0.00 N ATOM 0 H LYS A 107 10.161 10.396 -15.903 1.00 0.00 H new ATOM 0 HA LYS A 107 9.252 12.644 -14.434 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.061 12.655 -16.150 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.879 12.304 -17.395 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.796 14.438 -17.095 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.703 14.767 -15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.801 14.450 -17.256 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.626 14.840 -18.495 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.631 16.913 -17.830 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.008 16.909 -17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.977 17.580 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.777 16.564 -15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.261 15.911 -15.536 1.00 0.00 H new ATOM 1711 N LYS A 108 7.250 11.475 -16.789 1.00 0.00 N ATOM 1712 CA LYS A 108 5.877 11.501 -17.279 1.00 0.00 C ATOM 1713 C LYS A 108 4.899 11.109 -16.177 1.00 0.00 C ATOM 1714 O LYS A 108 3.735 11.511 -16.195 1.00 0.00 O ATOM 1715 CB LYS A 108 5.722 10.557 -18.473 1.00 0.00 C ATOM 1716 CG LYS A 108 6.045 9.108 -18.149 1.00 0.00 C ATOM 1717 CD LYS A 108 6.153 8.266 -19.409 1.00 0.00 C ATOM 1718 CE LYS A 108 4.803 7.695 -19.815 1.00 0.00 C ATOM 1719 NZ LYS A 108 4.947 6.445 -20.612 1.00 0.00 N ATOM 0 H LYS A 108 7.852 10.800 -17.260 1.00 0.00 H new ATOM 0 HA LYS A 108 5.650 12.519 -17.597 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.699 10.618 -18.843 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.374 10.894 -19.279 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.983 9.058 -17.596 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.270 8.698 -17.501 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.551 8.874 -20.221 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.859 7.452 -19.245 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.212 7.491 -18.922 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.255 8.436 -20.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.005 6.087 -20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.490 6.645 -21.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.447 5.729 -20.047 1.00 0.00 H new ATOM 1733 N ASP A 109 5.378 10.323 -15.219 1.00 0.00 N ATOM 1734 CA ASP A 109 4.545 9.879 -14.107 1.00 0.00 C ATOM 1735 C ASP A 109 4.198 11.046 -13.188 1.00 0.00 C ATOM 1736 O ASP A 109 3.103 11.105 -12.628 1.00 0.00 O ATOM 1737 CB ASP A 109 5.259 8.783 -13.314 1.00 0.00 C ATOM 1738 CG ASP A 109 4.799 7.393 -13.705 1.00 0.00 C ATOM 1739 OD1 ASP A 109 3.790 6.921 -13.141 1.00 0.00 O ATOM 1740 OD2 ASP A 109 5.450 6.776 -14.575 1.00 0.00 O ATOM 0 H ASP A 109 6.338 9.980 -15.190 1.00 0.00 H new ATOM 0 HA ASP A 109 3.619 9.476 -14.517 1.00 0.00 H new ATOM 0 HB2 ASP A 109 6.334 8.865 -13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.082 8.935 -12.249 1.00 0.00 H new ATOM 1745 N LEU A 110 5.139 11.972 -13.036 1.00 0.00 N ATOM 1746 CA LEU A 110 4.933 13.138 -12.183 1.00 0.00 C ATOM 1747 C LEU A 110 4.092 14.192 -12.895 1.00 0.00 C ATOM 1748 O LEU A 110 3.130 14.715 -12.334 1.00 0.00 O ATOM 1749 CB LEU A 110 6.280 13.737 -11.771 1.00 0.00 C ATOM 1750 CG LEU A 110 6.239 15.160 -11.215 1.00 0.00 C ATOM 1751 CD1 LEU A 110 5.422 15.210 -9.933 1.00 0.00 C ATOM 1752 CD2 LEU A 110 7.649 15.678 -10.970 1.00 0.00 C ATOM 0 H LEU A 110 6.051 11.938 -13.492 1.00 0.00 H new ATOM 0 HA LEU A 110 4.397 12.815 -11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.729 13.088 -11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.940 13.726 -12.638 1.00 0.00 H new ATOM 0 HG LEU A 110 5.759 15.803 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.404 16.231 -9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.403 14.882 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.872 14.553 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.600 16.692 -10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.154 15.032 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.204 15.681 -11.908 1.00 0.00 H new ATOM 1764 N GLN A 111 4.461 14.498 -14.135 1.00 0.00 N ATOM 1765 CA GLN A 111 3.739 15.489 -14.924 1.00 0.00 C ATOM 1766 C GLN A 111 2.245 15.181 -14.949 1.00 0.00 C ATOM 1767 O GLN A 111 1.418 16.051 -14.676 1.00 0.00 O ATOM 1768 CB GLN A 111 4.287 15.532 -16.352 1.00 0.00 C ATOM 1769 CG GLN A 111 5.723 16.022 -16.438 1.00 0.00 C ATOM 1770 CD GLN A 111 6.018 16.739 -17.740 1.00 0.00 C ATOM 1771 OE1 GLN A 111 5.106 17.156 -18.454 1.00 0.00 O ATOM 1772 NE2 GLN A 111 7.299 16.888 -18.057 1.00 0.00 N ATOM 0 H GLN A 111 5.255 14.074 -14.614 1.00 0.00 H new ATOM 0 HA GLN A 111 3.883 16.464 -14.458 1.00 0.00 H new ATOM 0 HB2 GLN A 111 4.226 14.534 -16.786 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.653 16.182 -16.956 1.00 0.00 H new ATOM 0 HG2 GLN A 111 5.924 16.694 -15.604 1.00 0.00 H new ATOM 0 HG3 GLN A 111 6.399 15.174 -16.334 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.023 16.527 -17.436 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.559 17.364 -18.921 1.00 0.00 H new ATOM 1781 N SER A 112 1.907 13.939 -15.279 1.00 0.00 N ATOM 1782 CA SER A 112 0.513 13.517 -15.344 1.00 0.00 C ATOM 1783 C SER A 112 -0.156 13.640 -13.978 1.00 0.00 C ATOM 1784 O SER A 112 -1.307 14.066 -13.874 1.00 0.00 O ATOM 1785 CB SER A 112 0.417 12.075 -15.844 1.00 0.00 C ATOM 1786 OG SER A 112 -0.855 11.816 -16.413 1.00 0.00 O ATOM 0 H SER A 112 2.580 13.207 -15.506 1.00 0.00 H new ATOM 0 HA SER A 112 -0.007 14.171 -16.044 1.00 0.00 H new ATOM 0 HB2 SER A 112 1.195 11.891 -16.585 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.596 11.387 -15.017 1.00 0.00 H new ATOM 0 HG SER A 112 -0.797 11.884 -17.389 1.00 0.00 H new ATOM 1792 N HIS A 113 0.574 13.265 -12.933 1.00 0.00 N ATOM 1793 CA HIS A 113 0.053 13.333 -11.572 1.00 0.00 C ATOM 1794 C HIS A 113 -0.365 14.758 -11.222 1.00 0.00 C ATOM 1795 O HIS A 113 -1.392 14.973 -10.578 1.00 0.00 O ATOM 1796 CB HIS A 113 1.102 12.837 -10.577 1.00 0.00 C ATOM 1797 CG HIS A 113 1.018 13.502 -9.237 1.00 0.00 C ATOM 1798 ND1 HIS A 113 0.246 13.016 -8.203 1.00 0.00 N ATOM 1799 CD2 HIS A 113 1.616 14.621 -8.765 1.00 0.00 C ATOM 1800 CE1 HIS A 113 0.372 13.808 -7.153 1.00 0.00 C ATOM 1801 NE2 HIS A 113 1.198 14.789 -7.468 1.00 0.00 N ATOM 0 H HIS A 113 1.528 12.911 -13.002 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.825 12.690 -11.512 1.00 0.00 H new ATOM 0 HB2 HIS A 113 0.988 11.761 -10.447 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.095 13.004 -10.995 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -0.332 12.176 -8.243 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.295 15.262 -9.307 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -0.117 13.676 -6.199 1.00 0.00 H new ATOM 1809 N MET A 114 0.437 15.727 -11.649 1.00 0.00 N ATOM 1810 CA MET A 114 0.150 17.131 -11.380 1.00 0.00 C ATOM 1811 C MET A 114 -0.960 17.643 -12.293 1.00 0.00 C ATOM 1812 O MET A 114 -1.749 18.504 -11.903 1.00 0.00 O ATOM 1813 CB MET A 114 1.411 17.977 -11.566 1.00 0.00 C ATOM 1814 CG MET A 114 2.584 17.514 -10.717 1.00 0.00 C ATOM 1815 SD MET A 114 3.823 18.803 -10.483 1.00 0.00 S ATOM 1816 CE MET A 114 2.941 19.927 -9.403 1.00 0.00 C ATOM 0 H MET A 114 1.291 15.566 -12.183 1.00 0.00 H new ATOM 0 HA MET A 114 -0.185 17.216 -10.346 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.702 17.955 -12.616 1.00 0.00 H new ATOM 0 HB3 MET A 114 1.182 19.014 -11.321 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.217 17.187 -9.744 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.050 16.649 -11.189 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.930 20.923 -9.845 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.917 19.577 -9.272 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.438 19.966 -8.434 1.00 0.00 H new ATOM 1826 N ILE A 115 -1.012 17.110 -13.509 1.00 0.00 N ATOM 1827 CA ILE A 115 -2.025 17.514 -14.476 1.00 0.00 C ATOM 1828 C ILE A 115 -3.380 16.896 -14.144 1.00 0.00 C ATOM 1829 O ILE A 115 -4.425 17.416 -14.536 1.00 0.00 O ATOM 1830 CB ILE A 115 -1.628 17.111 -15.909 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -0.354 17.844 -16.333 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -2.764 17.408 -16.877 1.00 0.00 C ATOM 1833 CD1 ILE A 115 0.494 17.064 -17.313 1.00 0.00 C ATOM 0 H ILE A 115 -0.365 16.398 -13.848 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.099 18.600 -14.419 1.00 0.00 H new ATOM 0 HB ILE A 115 -1.432 16.039 -15.928 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.626 18.800 -16.781 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.240 18.065 -15.446 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.468 17.118 -17.885 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.650 16.845 -16.582 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.989 18.474 -16.858 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.380 17.644 -17.569 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.797 16.120 -16.861 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.083 16.865 -18.216 1.00 0.00 H new ATOM 1845 N LYS A 116 -3.354 15.785 -13.416 1.00 0.00 N ATOM 1846 CA LYS A 116 -4.579 15.097 -13.026 1.00 0.00 C ATOM 1847 C LYS A 116 -5.048 15.558 -11.650 1.00 0.00 C ATOM 1848 O LYS A 116 -6.186 16.001 -11.487 1.00 0.00 O ATOM 1849 CB LYS A 116 -4.358 13.582 -13.021 1.00 0.00 C ATOM 1850 CG LYS A 116 -4.600 12.928 -14.370 1.00 0.00 C ATOM 1851 CD LYS A 116 -3.395 13.074 -15.284 1.00 0.00 C ATOM 1852 CE LYS A 116 -3.748 12.749 -16.728 1.00 0.00 C ATOM 1853 NZ LYS A 116 -4.301 13.933 -17.442 1.00 0.00 N ATOM 0 H LYS A 116 -2.498 15.342 -13.084 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.352 15.343 -13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -3.336 13.373 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -5.020 13.129 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.824 11.871 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.473 13.378 -14.842 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.012 14.092 -15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.598 12.412 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.859 12.393 -17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.476 11.938 -16.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.529 13.672 -18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.164 14.257 -16.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.597 14.698 -17.443 1.00 0.00 H new ATOM 1867 N LEU A 117 -4.166 15.452 -10.663 1.00 0.00 N ATOM 1868 CA LEU A 117 -4.489 15.860 -9.300 1.00 0.00 C ATOM 1869 C LEU A 117 -4.345 17.369 -9.135 1.00 0.00 C ATOM 1870 O LEU A 117 -5.256 18.041 -8.651 1.00 0.00 O ATOM 1871 CB LEU A 117 -3.583 15.137 -8.302 1.00 0.00 C ATOM 1872 CG LEU A 117 -3.421 13.631 -8.511 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -2.924 12.965 -7.237 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -4.736 13.010 -8.961 1.00 0.00 C ATOM 0 H LEU A 117 -3.221 15.087 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.526 15.589 -9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.595 15.597 -8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.975 15.304 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.679 13.471 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.815 11.894 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.959 13.389 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.641 13.135 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.602 11.938 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.498 13.181 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.051 13.465 -9.900 1.00 0.00 H new ATOM 1886 N HIS A 118 -3.194 17.896 -9.541 1.00 0.00 N ATOM 1887 CA HIS A 118 -2.931 19.328 -9.441 1.00 0.00 C ATOM 1888 C HIS A 118 -3.370 20.051 -10.710 1.00 0.00 C ATOM 1889 O HIS A 118 -2.689 20.960 -11.186 1.00 0.00 O ATOM 1890 CB HIS A 118 -1.445 19.578 -9.185 1.00 0.00 C ATOM 1891 CG HIS A 118 -0.947 18.976 -7.908 1.00 0.00 C ATOM 1892 ND1 HIS A 118 -1.568 19.169 -6.692 1.00 0.00 N ATOM 1893 CD2 HIS A 118 0.119 18.178 -7.661 1.00 0.00 C ATOM 1894 CE1 HIS A 118 -0.905 18.519 -5.753 1.00 0.00 C ATOM 1895 NE2 HIS A 118 0.123 17.909 -6.315 1.00 0.00 N ATOM 0 H HIS A 118 -2.429 17.354 -9.942 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.507 19.721 -8.603 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -0.869 19.173 -10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.264 20.653 -9.165 1.00 0.00 H new ATOM 0 HD2 HIS A 118 0.833 17.820 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.160 18.491 -4.704 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.809 17.332 -5.828 1.00 0.00 H new