USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ -116:sc= -1.19 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -1.21 K(o=-2.4,f=2.2) USER MOD Set 2.1: A 51 THR OG1 : rot 175:sc= -2.67 USER MOD Set 2.2: A 97 MET CE :methyl 149:sc= -3.84 (180deg=-5.61!) USER MOD Set 3.1: A 59 MET CE :methyl -143:sc= -10.5! (180deg=-10.7!) USER MOD Set 3.2: A 88 MET CE :methyl -114:sc= -13.5! (180deg=-19.6!) USER MOD Set 3.3: B 72 THR OG1 : rot 85:sc= -3.19! USER MOD Set 4.1: A 55 SER OG : rot 28:sc= -2.64! USER MOD Set 4.2: A 57 LYS NZ :NH3+ 144:sc= 0.593 (180deg=0.0971) USER MOD Set 5.1: A 13 SER OG : rot 82:sc= 0.0504 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 3 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-6.8!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 31 SER OG : rot -38:sc= -1.36! USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.083) USER MOD Single : A 38 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.028) USER MOD Single : A 39 THR OG1 : rot 180:sc= -4.58! USER MOD Single : A 43 SER OG : rot -145:sc= -1.16 USER MOD Single : A 44 THR OG1 : rot 170:sc= -4.02! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.22 K(o=-2.2,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 58 MET CE :methyl -150:sc= -2.09! (180deg=-4.1!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 99 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.3!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.92) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -124:sc= 0.254 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.305 -14.124 3.145 1.00 0.00 N ATOM 29 CA HIS A 3 1.692 -13.244 2.046 1.00 0.00 C ATOM 30 C HIS A 3 0.628 -13.229 0.960 1.00 0.00 C ATOM 31 O HIS A 3 0.435 -12.221 0.280 1.00 0.00 O ATOM 32 CB HIS A 3 3.032 -13.689 1.457 1.00 0.00 C ATOM 33 CG HIS A 3 4.189 -13.506 2.390 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.496 -13.748 2.023 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.232 -13.104 3.682 1.00 0.00 C ATOM 36 CE1 HIS A 3 6.292 -13.504 3.048 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.550 -13.112 4.067 1.00 0.00 N ATOM 0 HA HIS A 3 1.794 -12.234 2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.965 -14.740 1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.222 -13.127 0.542 1.00 0.00 H new ATOM 0 HD1 HIS A 3 5.801 -14.066 1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.387 -12.828 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.367 -13.608 3.052 1.00 0.00 H new ATOM 46 N SER A 4 -0.062 -14.347 0.805 1.00 0.00 N ATOM 47 CA SER A 4 -1.111 -14.455 -0.198 1.00 0.00 C ATOM 48 C SER A 4 -2.457 -14.048 0.381 1.00 0.00 C ATOM 49 O SER A 4 -2.840 -14.478 1.468 1.00 0.00 O ATOM 50 CB SER A 4 -1.195 -15.875 -0.756 1.00 0.00 C ATOM 51 OG SER A 4 0.093 -16.385 -1.054 1.00 0.00 O ATOM 0 H SER A 4 0.084 -15.191 1.359 1.00 0.00 H new ATOM 0 HA SER A 4 -0.858 -13.776 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.688 -16.524 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.808 -15.879 -1.657 1.00 0.00 H new ATOM 0 HG SER A 4 0.011 -17.295 -1.408 1.00 0.00 H new ATOM 57 N GLY A 5 -3.165 -13.215 -0.362 1.00 0.00 N ATOM 58 CA GLY A 5 -4.465 -12.745 0.063 1.00 0.00 C ATOM 59 C GLY A 5 -5.272 -12.240 -1.108 1.00 0.00 C ATOM 60 O GLY A 5 -4.803 -12.275 -2.244 1.00 0.00 O ATOM 0 H GLY A 5 -2.858 -12.852 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.003 -13.554 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.345 -11.947 0.796 1.00 0.00 H new ATOM 64 N ALA A 6 -6.483 -11.773 -0.849 1.00 0.00 N ATOM 65 CA ALA A 6 -7.329 -11.266 -1.917 1.00 0.00 C ATOM 66 C ALA A 6 -7.441 -9.751 -1.857 1.00 0.00 C ATOM 67 O ALA A 6 -7.533 -9.163 -0.780 1.00 0.00 O ATOM 68 CB ALA A 6 -8.705 -11.907 -1.862 1.00 0.00 C ATOM 0 H ALA A 6 -6.899 -11.734 0.082 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.863 -11.530 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.322 -11.514 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.608 -12.987 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.174 -11.681 -0.904 1.00 0.00 H new ATOM 74 N ALA A 7 -7.431 -9.129 -3.028 1.00 0.00 N ATOM 75 CA ALA A 7 -7.530 -7.681 -3.128 1.00 0.00 C ATOM 76 C ALA A 7 -8.163 -7.275 -4.448 1.00 0.00 C ATOM 77 O ALA A 7 -8.206 -8.066 -5.391 1.00 0.00 O ATOM 78 CB ALA A 7 -6.157 -7.044 -2.976 1.00 0.00 C ATOM 0 H ALA A 7 -7.355 -9.608 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.169 -7.324 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.248 -5.961 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.741 -7.305 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.497 -7.410 -3.763 1.00 0.00 H new ATOM 84 N ILE A 8 -8.660 -6.047 -4.518 1.00 0.00 N ATOM 85 CA ILE A 8 -9.292 -5.567 -5.735 1.00 0.00 C ATOM 86 C ILE A 8 -8.777 -4.193 -6.142 1.00 0.00 C ATOM 87 O ILE A 8 -8.506 -3.336 -5.301 1.00 0.00 O ATOM 88 CB ILE A 8 -10.822 -5.506 -5.583 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.379 -6.900 -5.318 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.453 -4.915 -6.835 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.549 -6.906 -4.362 1.00 0.00 C ATOM 0 H ILE A 8 -8.637 -5.372 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.034 -6.281 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.065 -4.865 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.689 -7.345 -6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.586 -7.530 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.536 -4.878 -6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.071 -3.907 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.205 -5.537 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.896 -7.929 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.238 -6.490 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.358 -6.303 -4.774 1.00 0.00 H new ATOM 103 N PHE A 9 -8.661 -3.997 -7.449 1.00 0.00 N ATOM 104 CA PHE A 9 -8.198 -2.734 -8.004 1.00 0.00 C ATOM 105 C PHE A 9 -8.991 -2.392 -9.261 1.00 0.00 C ATOM 106 O PHE A 9 -9.355 -3.278 -10.029 1.00 0.00 O ATOM 107 CB PHE A 9 -6.704 -2.799 -8.321 1.00 0.00 C ATOM 108 CG PHE A 9 -6.086 -1.448 -8.534 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.453 -0.674 -9.621 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.145 -0.952 -7.648 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.891 0.572 -9.823 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.579 0.294 -7.843 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.953 1.057 -8.932 1.00 0.00 C ATOM 0 H PHE A 9 -8.884 -4.704 -8.149 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.357 -1.951 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.187 -3.303 -7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.555 -3.405 -9.215 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.187 -1.048 -10.319 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.850 -1.545 -6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.184 1.166 -10.676 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.846 0.670 -7.145 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.513 2.031 -9.087 1.00 0.00 H new ATOM 123 N GLU A 10 -9.253 -1.102 -9.462 1.00 0.00 N ATOM 124 CA GLU A 10 -10.008 -0.625 -10.621 1.00 0.00 C ATOM 125 C GLU A 10 -11.205 -1.526 -10.912 1.00 0.00 C ATOM 126 O GLU A 10 -11.463 -1.885 -12.061 1.00 0.00 O ATOM 127 CB GLU A 10 -9.105 -0.549 -11.847 1.00 0.00 C ATOM 128 CG GLU A 10 -8.519 -1.890 -12.219 1.00 0.00 C ATOM 129 CD GLU A 10 -7.605 -1.818 -13.427 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.084 -1.426 -14.512 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.410 -2.154 -13.288 1.00 0.00 O ATOM 0 H GLU A 10 -8.950 -0.361 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.381 0.372 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.675 -0.159 -12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.296 0.156 -11.655 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.961 -2.285 -11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.328 -2.591 -12.423 1.00 0.00 H new ATOM 138 N LYS A 11 -11.935 -1.883 -9.860 1.00 0.00 N ATOM 139 CA LYS A 11 -13.114 -2.738 -9.989 1.00 0.00 C ATOM 140 C LYS A 11 -12.750 -4.122 -10.525 1.00 0.00 C ATOM 141 O LYS A 11 -13.622 -4.868 -10.971 1.00 0.00 O ATOM 142 CB LYS A 11 -14.166 -2.089 -10.902 1.00 0.00 C ATOM 143 CG LYS A 11 -13.915 -0.618 -11.200 1.00 0.00 C ATOM 144 CD LYS A 11 -15.196 0.098 -11.596 1.00 0.00 C ATOM 145 CE LYS A 11 -15.429 0.036 -13.097 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.305 1.142 -13.570 1.00 0.00 N ATOM 0 H LYS A 11 -11.731 -1.593 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.534 -2.856 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.201 -2.637 -11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.146 -2.191 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.485 -0.136 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.184 -0.528 -12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.041 -0.353 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.145 1.139 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.471 0.085 -13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.882 -0.921 -13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.439 1.063 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.228 1.081 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.861 2.056 -13.348 1.00 0.00 H new ATOM 160 N VAL A 12 -11.468 -4.469 -10.469 1.00 0.00 N ATOM 161 CA VAL A 12 -11.013 -5.770 -10.938 1.00 0.00 C ATOM 162 C VAL A 12 -10.455 -6.577 -9.776 1.00 0.00 C ATOM 163 O VAL A 12 -9.496 -6.159 -9.130 1.00 0.00 O ATOM 164 CB VAL A 12 -9.933 -5.638 -12.029 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.564 -7.005 -12.586 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.405 -4.711 -13.139 1.00 0.00 C ATOM 0 H VAL A 12 -10.729 -3.868 -10.104 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.874 -6.281 -11.369 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.041 -5.203 -11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.800 -6.890 -13.355 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.179 -7.633 -11.783 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.448 -7.472 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.629 -4.630 -13.900 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.313 -5.114 -13.588 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.612 -3.724 -12.725 1.00 0.00 H new ATOM 176 N SER A 13 -11.069 -7.721 -9.497 1.00 0.00 N ATOM 177 CA SER A 13 -10.629 -8.559 -8.391 1.00 0.00 C ATOM 178 C SER A 13 -9.506 -9.498 -8.803 1.00 0.00 C ATOM 179 O SER A 13 -9.331 -9.814 -9.980 1.00 0.00 O ATOM 180 CB SER A 13 -11.794 -9.362 -7.819 1.00 0.00 C ATOM 181 OG SER A 13 -12.367 -10.207 -8.802 1.00 0.00 O ATOM 0 H SER A 13 -11.867 -8.086 -10.017 1.00 0.00 H new ATOM 0 HA SER A 13 -10.244 -7.891 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.447 -9.962 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.553 -8.682 -7.433 1.00 0.00 H new ATOM 0 HG SER A 13 -11.834 -11.026 -8.880 1.00 0.00 H new ATOM 187 N GLY A 14 -8.739 -9.921 -7.807 1.00 0.00 N ATOM 188 CA GLY A 14 -7.615 -10.804 -8.034 1.00 0.00 C ATOM 189 C GLY A 14 -6.983 -11.241 -6.730 1.00 0.00 C ATOM 190 O GLY A 14 -7.454 -10.870 -5.655 1.00 0.00 O ATOM 0 H GLY A 14 -8.880 -9.662 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.946 -11.680 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.871 -10.297 -8.649 1.00 0.00 H new ATOM 194 N ILE A 15 -5.916 -12.022 -6.814 1.00 0.00 N ATOM 195 CA ILE A 15 -5.230 -12.490 -5.620 1.00 0.00 C ATOM 196 C ILE A 15 -3.903 -11.765 -5.475 1.00 0.00 C ATOM 197 O ILE A 15 -3.148 -11.621 -6.436 1.00 0.00 O ATOM 198 CB ILE A 15 -4.975 -14.012 -5.650 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.173 -14.745 -6.257 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.689 -14.529 -4.245 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.040 -14.992 -7.744 1.00 0.00 C ATOM 0 H ILE A 15 -5.509 -12.343 -7.692 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.877 -12.276 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.103 -14.204 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.300 -15.700 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.076 -14.163 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.511 -15.604 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.807 -14.029 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.544 -14.325 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.925 -15.515 -8.106 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.944 -14.039 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.156 -15.600 -7.934 1.00 0.00 H new ATOM 213 N ILE A 16 -3.647 -11.284 -4.269 1.00 0.00 N ATOM 214 CA ILE A 16 -2.437 -10.535 -3.978 1.00 0.00 C ATOM 215 C ILE A 16 -1.451 -11.387 -3.177 1.00 0.00 C ATOM 216 O ILE A 16 -1.821 -11.975 -2.162 1.00 0.00 O ATOM 217 CB ILE A 16 -2.789 -9.265 -3.177 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.540 -8.440 -2.877 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.519 -9.628 -1.891 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.848 -6.990 -2.582 1.00 0.00 C ATOM 0 H ILE A 16 -4.269 -11.401 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.970 -10.256 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.453 -8.654 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.019 -8.876 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.861 -8.496 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.759 -8.719 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.440 -10.159 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.882 -10.266 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.921 -6.456 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.343 -6.541 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.503 -6.927 -1.713 1.00 0.00 H new ATOM 232 N ALA A 17 -0.200 -11.474 -3.635 1.00 0.00 N ATOM 233 CA ALA A 17 0.793 -12.284 -2.930 1.00 0.00 C ATOM 234 C ALA A 17 2.147 -11.587 -2.843 1.00 0.00 C ATOM 235 O ALA A 17 2.609 -10.991 -3.813 1.00 0.00 O ATOM 236 CB ALA A 17 0.942 -13.636 -3.611 1.00 0.00 C ATOM 0 H ALA A 17 0.144 -11.004 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 17 0.435 -12.426 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.684 -14.232 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.016 -14.156 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.265 -13.491 -4.642 1.00 0.00 H new ATOM 242 N ILE A 18 2.782 -11.685 -1.674 1.00 0.00 N ATOM 243 CA ILE A 18 4.094 -11.078 -1.454 1.00 0.00 C ATOM 244 C ILE A 18 5.209 -12.077 -1.751 1.00 0.00 C ATOM 245 O ILE A 18 5.075 -13.273 -1.490 1.00 0.00 O ATOM 246 CB ILE A 18 4.248 -10.568 -0.005 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.167 -9.538 0.314 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.631 -9.967 0.207 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.758 -9.527 1.770 1.00 0.00 C ATOM 0 H ILE A 18 2.408 -12.180 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 18 4.171 -10.230 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 18 4.133 -11.415 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.527 -8.547 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.290 -9.741 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.720 -9.613 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.390 -10.726 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.774 -9.131 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.987 -8.772 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.368 -10.507 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.624 -9.294 2.389 1.00 0.00 H new ATOM 261 N ASN A 19 6.308 -11.574 -2.299 1.00 0.00 N ATOM 262 CA ASN A 19 7.455 -12.407 -2.640 1.00 0.00 C ATOM 263 C ASN A 19 8.718 -11.886 -1.977 1.00 0.00 C ATOM 264 O ASN A 19 9.229 -10.824 -2.336 1.00 0.00 O ATOM 265 CB ASN A 19 7.645 -12.451 -4.157 1.00 0.00 C ATOM 266 CG ASN A 19 6.875 -13.586 -4.804 1.00 0.00 C ATOM 267 OD1 ASN A 19 7.207 -14.757 -4.624 1.00 0.00 O ATOM 268 ND2 ASN A 19 5.840 -13.242 -5.562 1.00 0.00 N ATOM 0 H ASN A 19 6.430 -10.585 -2.518 1.00 0.00 H new ATOM 0 HA ASN A 19 7.262 -13.415 -2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.321 -11.504 -4.588 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.705 -12.559 -4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.284 -13.962 -6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.601 -12.258 -5.683 1.00 0.00 H new ATOM 275 N GLU A 20 9.225 -12.654 -1.019 1.00 0.00 N ATOM 276 CA GLU A 20 10.443 -12.290 -0.312 1.00 0.00 C ATOM 277 C GLU A 20 11.590 -13.176 -0.766 1.00 0.00 C ATOM 278 O GLU A 20 12.537 -13.429 -0.022 1.00 0.00 O ATOM 279 CB GLU A 20 10.246 -12.405 1.201 1.00 0.00 C ATOM 280 CG GLU A 20 11.061 -11.400 1.998 1.00 0.00 C ATOM 281 CD GLU A 20 11.058 -11.696 3.485 1.00 0.00 C ATOM 282 OE1 GLU A 20 11.207 -12.879 3.855 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.905 -10.744 4.279 1.00 0.00 O ATOM 0 H GLU A 20 8.809 -13.534 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 20 10.684 -11.253 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.190 -12.269 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.515 -13.412 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.088 -11.400 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.663 -10.399 1.830 1.00 0.00 H new ATOM 290 N ASP A 21 11.490 -13.635 -2.004 1.00 0.00 N ATOM 291 CA ASP A 21 12.508 -14.491 -2.597 1.00 0.00 C ATOM 292 C ASP A 21 13.424 -13.679 -3.505 1.00 0.00 C ATOM 293 O ASP A 21 14.572 -14.056 -3.743 1.00 0.00 O ATOM 294 CB ASP A 21 11.856 -15.625 -3.389 1.00 0.00 C ATOM 295 CG ASP A 21 10.844 -16.398 -2.567 1.00 0.00 C ATOM 296 OD1 ASP A 21 11.117 -16.650 -1.374 1.00 0.00 O ATOM 297 OD2 ASP A 21 9.780 -16.753 -3.115 1.00 0.00 O ATOM 0 H ASP A 21 10.707 -13.427 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 21 13.105 -14.922 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.365 -15.213 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.628 -16.307 -3.744 1.00 0.00 H new ATOM 302 N VAL A 22 12.912 -12.557 -4.002 1.00 0.00 N ATOM 303 CA VAL A 22 13.691 -11.686 -4.877 1.00 0.00 C ATOM 304 C VAL A 22 14.266 -10.513 -4.090 1.00 0.00 C ATOM 305 O VAL A 22 13.859 -10.261 -2.956 1.00 0.00 O ATOM 306 CB VAL A 22 12.855 -11.141 -6.062 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.270 -11.814 -7.362 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.362 -11.320 -5.820 1.00 0.00 C ATOM 0 H VAL A 22 11.964 -12.230 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 22 14.499 -12.294 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 22 13.052 -10.072 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.672 -11.419 -8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.325 -11.617 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.111 -12.889 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.806 -10.927 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.138 -12.380 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.073 -10.782 -4.917 1.00 0.00 H new ATOM 318 N SER A 23 15.215 -9.797 -4.692 1.00 0.00 N ATOM 319 CA SER A 23 15.836 -8.653 -4.029 1.00 0.00 C ATOM 320 C SER A 23 14.771 -7.721 -3.452 1.00 0.00 C ATOM 321 O SER A 23 14.643 -7.601 -2.234 1.00 0.00 O ATOM 322 CB SER A 23 16.741 -7.892 -4.997 1.00 0.00 C ATOM 323 OG SER A 23 18.096 -8.272 -4.835 1.00 0.00 O ATOM 0 H SER A 23 15.568 -9.987 -5.630 1.00 0.00 H new ATOM 0 HA SER A 23 16.448 -9.028 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.426 -8.086 -6.022 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.638 -6.820 -4.829 1.00 0.00 H new ATOM 0 HG SER A 23 18.654 -7.772 -5.467 1.00 0.00 H new ATOM 329 N PRO A 24 13.975 -7.059 -4.314 1.00 0.00 N ATOM 330 CA PRO A 24 12.917 -6.166 -3.860 1.00 0.00 C ATOM 331 C PRO A 24 11.676 -6.937 -3.458 1.00 0.00 C ATOM 332 O PRO A 24 10.774 -7.138 -4.271 1.00 0.00 O ATOM 333 CB PRO A 24 12.617 -5.320 -5.088 1.00 0.00 C ATOM 334 CG PRO A 24 12.910 -6.224 -6.237 1.00 0.00 C ATOM 335 CD PRO A 24 14.022 -7.141 -5.788 1.00 0.00 C ATOM 0 HA PRO A 24 13.214 -5.587 -2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.579 -4.987 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.239 -4.425 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.025 -6.795 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.210 -5.651 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.864 -8.162 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.988 -6.818 -6.176 1.00 0.00 H new ATOM 343 N ALA A 25 11.628 -7.367 -2.204 1.00 0.00 N ATOM 344 CA ALA A 25 10.478 -8.115 -1.707 1.00 0.00 C ATOM 345 C ALA A 25 9.203 -7.414 -2.126 1.00 0.00 C ATOM 346 O ALA A 25 8.792 -6.440 -1.510 1.00 0.00 O ATOM 347 CB ALA A 25 10.529 -8.264 -0.200 1.00 0.00 C ATOM 0 H ALA A 25 12.365 -7.213 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 25 10.501 -9.116 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.659 -8.826 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.437 -8.796 0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.528 -7.277 0.263 1.00 0.00 H new ATOM 353 N GLU A 26 8.616 -7.897 -3.203 1.00 0.00 N ATOM 354 CA GLU A 26 7.412 -7.294 -3.756 1.00 0.00 C ATOM 355 C GLU A 26 6.243 -8.267 -3.763 1.00 0.00 C ATOM 356 O GLU A 26 6.415 -9.454 -3.507 1.00 0.00 O ATOM 357 CB GLU A 26 7.699 -6.792 -5.165 1.00 0.00 C ATOM 358 CG GLU A 26 8.306 -7.845 -6.077 1.00 0.00 C ATOM 359 CD GLU A 26 8.691 -7.288 -7.434 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.930 -6.458 -7.973 1.00 0.00 O ATOM 361 OE2 GLU A 26 9.755 -7.682 -7.957 1.00 0.00 O ATOM 0 H GLU A 26 8.953 -8.710 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 26 7.126 -6.456 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.771 -6.431 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.377 -5.940 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.189 -8.270 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.593 -8.659 -6.211 1.00 0.00 H new ATOM 368 N LEU A 27 5.049 -7.755 -4.055 1.00 0.00 N ATOM 369 CA LEU A 27 3.859 -8.580 -4.084 1.00 0.00 C ATOM 370 C LEU A 27 3.124 -8.427 -5.405 1.00 0.00 C ATOM 371 O LEU A 27 2.999 -7.323 -5.934 1.00 0.00 O ATOM 372 CB LEU A 27 2.933 -8.225 -2.915 1.00 0.00 C ATOM 373 CG LEU A 27 2.077 -6.969 -3.107 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.175 -6.749 -1.903 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.958 -5.751 -3.341 1.00 0.00 C ATOM 0 H LEU A 27 4.887 -6.772 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 27 4.166 -9.621 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.270 -9.070 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.541 -8.095 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 27 1.450 -7.114 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.574 -5.853 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.517 -7.609 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.786 -6.627 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.332 -4.869 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.612 -5.604 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.563 -5.906 -4.235 1.00 0.00 H new ATOM 387 N THR A 28 2.647 -9.542 -5.942 1.00 0.00 N ATOM 388 CA THR A 28 1.940 -9.529 -7.198 1.00 0.00 C ATOM 389 C THR A 28 0.450 -9.706 -7.015 1.00 0.00 C ATOM 390 O THR A 28 -0.010 -10.372 -6.087 1.00 0.00 O ATOM 391 CB THR A 28 2.455 -10.618 -8.108 1.00 0.00 C ATOM 392 OG1 THR A 28 2.673 -11.823 -7.397 1.00 0.00 O ATOM 393 CG2 THR A 28 3.728 -10.251 -8.805 1.00 0.00 C ATOM 0 H THR A 28 2.742 -10.465 -5.519 1.00 0.00 H new ATOM 0 HA THR A 28 2.118 -8.552 -7.647 1.00 0.00 H new ATOM 0 HB THR A 28 1.676 -10.754 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.004 -12.510 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.044 -11.076 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.566 -9.362 -9.415 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.502 -10.047 -8.065 1.00 0.00 H new ATOM 401 N TRP A 29 -0.295 -9.104 -7.921 1.00 0.00 N ATOM 402 CA TRP A 29 -1.745 -9.181 -7.894 1.00 0.00 C ATOM 403 C TRP A 29 -2.285 -9.775 -9.192 1.00 0.00 C ATOM 404 O TRP A 29 -2.246 -9.136 -10.236 1.00 0.00 O ATOM 405 CB TRP A 29 -2.333 -7.794 -7.679 1.00 0.00 C ATOM 406 CG TRP A 29 -3.812 -7.818 -7.521 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.502 -8.071 -6.376 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.786 -7.590 -8.541 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.849 -8.011 -6.616 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.050 -7.716 -7.938 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.714 -7.289 -9.905 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.232 -7.551 -8.648 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.893 -7.127 -10.611 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.136 -7.258 -9.981 1.00 0.00 C ATOM 0 H TRP A 29 0.082 -8.552 -8.691 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.037 -9.832 -7.070 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.884 -7.346 -6.792 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.072 -7.158 -8.525 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.053 -8.288 -5.418 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.582 -8.161 -5.923 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.758 -7.185 -10.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.193 -7.650 -8.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.853 -6.896 -11.665 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.038 -7.125 -10.559 1.00 0.00 H new ATOM 425 N ARG A 30 -2.795 -10.998 -9.120 1.00 0.00 N ATOM 426 CA ARG A 30 -3.340 -11.667 -10.299 1.00 0.00 C ATOM 427 C ARG A 30 -4.866 -11.707 -10.251 1.00 0.00 C ATOM 428 O ARG A 30 -5.450 -12.185 -9.282 1.00 0.00 O ATOM 429 CB ARG A 30 -2.783 -13.088 -10.390 1.00 0.00 C ATOM 430 CG ARG A 30 -1.574 -13.217 -11.302 1.00 0.00 C ATOM 431 CD ARG A 30 -1.308 -14.667 -11.674 1.00 0.00 C ATOM 432 NE ARG A 30 -0.257 -15.260 -10.849 1.00 0.00 N ATOM 433 CZ ARG A 30 -0.466 -15.798 -9.649 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.686 -15.821 -9.125 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.548 -16.316 -8.970 1.00 0.00 N ATOM 0 H ARG A 30 -2.844 -11.547 -8.262 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.043 -11.102 -11.183 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.510 -13.426 -9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.569 -13.754 -10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.736 -12.632 -12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.697 -12.801 -10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.226 -15.244 -11.562 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.021 -14.725 -12.724 1.00 0.00 H new ATOM 0 HE ARG A 30 0.695 -15.262 -11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.471 -15.425 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.838 -16.235 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.488 -16.302 -9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.389 -16.728 -8.051 1.00 0.00 H new ATOM 449 N SER A 31 -5.510 -11.203 -11.302 1.00 0.00 N ATOM 450 CA SER A 31 -6.966 -11.188 -11.364 1.00 0.00 C ATOM 451 C SER A 31 -7.536 -12.600 -11.262 1.00 0.00 C ATOM 452 O SER A 31 -6.882 -13.574 -11.634 1.00 0.00 O ATOM 453 CB SER A 31 -7.430 -10.527 -12.662 1.00 0.00 C ATOM 454 OG SER A 31 -8.274 -9.419 -12.398 1.00 0.00 O ATOM 0 H SER A 31 -5.047 -10.802 -12.118 1.00 0.00 H new ATOM 0 HA SER A 31 -7.335 -10.611 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.564 -10.199 -13.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.962 -11.255 -13.275 1.00 0.00 H new ATOM 0 HG SER A 31 -8.851 -9.623 -11.633 1.00 0.00 H new ATOM 460 N THR A 32 -8.762 -12.700 -10.757 1.00 0.00 N ATOM 461 CA THR A 32 -9.427 -13.990 -10.607 1.00 0.00 C ATOM 462 C THR A 32 -10.368 -14.254 -11.777 1.00 0.00 C ATOM 463 O THR A 32 -10.639 -15.404 -12.124 1.00 0.00 O ATOM 464 CB THR A 32 -10.202 -14.041 -9.287 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.347 -12.742 -8.739 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.541 -14.909 -8.239 1.00 0.00 C ATOM 0 H THR A 32 -9.315 -11.902 -10.444 1.00 0.00 H new ATOM 0 HA THR A 32 -8.662 -14.767 -10.597 1.00 0.00 H new ATOM 0 HB THR A 32 -11.170 -14.474 -9.538 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.846 -12.796 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.141 -14.901 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.459 -15.930 -8.611 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.546 -14.522 -8.021 1.00 0.00 H new ATOM 505 N LYS A 36 -5.688 -10.833 -15.722 1.00 0.00 N ATOM 506 CA LYS A 36 -4.694 -9.770 -15.655 1.00 0.00 C ATOM 507 C LYS A 36 -3.845 -9.917 -14.398 1.00 0.00 C ATOM 508 O LYS A 36 -4.174 -10.698 -13.506 1.00 0.00 O ATOM 509 CB LYS A 36 -5.367 -8.396 -15.677 1.00 0.00 C ATOM 510 CG LYS A 36 -6.274 -8.135 -14.487 1.00 0.00 C ATOM 511 CD LYS A 36 -6.684 -6.674 -14.412 1.00 0.00 C ATOM 512 CE LYS A 36 -8.026 -6.436 -15.086 1.00 0.00 C ATOM 513 NZ LYS A 36 -7.872 -6.105 -16.530 1.00 0.00 N ATOM 0 HA LYS A 36 -4.048 -9.852 -16.529 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.597 -7.626 -15.710 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.950 -8.303 -16.593 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.163 -8.761 -14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.761 -8.418 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.740 -6.364 -13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.922 -6.056 -14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.647 -7.326 -14.982 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.547 -5.623 -14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.546 -5.356 -16.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.902 -5.775 -16.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.061 -6.953 -17.102 1.00 0.00 H new ATOM 527 N VAL A 37 -2.754 -9.165 -14.332 1.00 0.00 N ATOM 528 CA VAL A 37 -1.866 -9.222 -13.179 1.00 0.00 C ATOM 529 C VAL A 37 -1.267 -7.860 -12.875 1.00 0.00 C ATOM 530 O VAL A 37 -1.063 -7.040 -13.771 1.00 0.00 O ATOM 531 CB VAL A 37 -0.710 -10.226 -13.378 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.201 -10.720 -12.033 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.144 -11.394 -14.254 1.00 0.00 C ATOM 0 H VAL A 37 -2.464 -8.512 -15.060 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.484 -9.553 -12.344 1.00 0.00 H new ATOM 0 HB VAL A 37 0.104 -9.712 -13.889 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.614 -11.427 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.160 -9.874 -11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.011 -11.213 -11.496 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.311 -12.085 -14.378 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.979 -11.912 -13.782 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.454 -11.021 -15.230 1.00 0.00 H new ATOM 543 N HIS A 38 -0.965 -7.637 -11.605 1.00 0.00 N ATOM 544 CA HIS A 38 -0.363 -6.389 -11.172 1.00 0.00 C ATOM 545 C HIS A 38 0.709 -6.671 -10.130 1.00 0.00 C ATOM 546 O HIS A 38 0.411 -7.047 -9.001 1.00 0.00 O ATOM 547 CB HIS A 38 -1.426 -5.453 -10.594 1.00 0.00 C ATOM 548 CG HIS A 38 -1.190 -4.010 -10.915 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.400 -2.993 -10.007 1.00 0.00 N ATOM 550 CD2 HIS A 38 -0.758 -3.413 -12.051 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.109 -1.834 -10.572 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.716 -2.062 -11.811 1.00 0.00 N ATOM 0 H HIS A 38 -1.129 -8.308 -10.855 1.00 0.00 H new ATOM 0 HA HIS A 38 0.093 -5.901 -12.033 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.404 -5.747 -10.976 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.457 -5.576 -9.511 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.495 -3.908 -12.974 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.181 -0.865 -10.100 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.428 -1.350 -12.482 1.00 0.00 H new ATOM 561 N THR A 39 1.955 -6.481 -10.524 1.00 0.00 N ATOM 562 CA THR A 39 3.087 -6.716 -9.637 1.00 0.00 C ATOM 563 C THR A 39 3.583 -5.397 -9.052 1.00 0.00 C ATOM 564 O THR A 39 4.196 -4.595 -9.756 1.00 0.00 O ATOM 565 CB THR A 39 4.223 -7.384 -10.417 1.00 0.00 C ATOM 566 OG1 THR A 39 3.806 -8.626 -10.951 1.00 0.00 O ATOM 567 CG2 THR A 39 5.465 -7.630 -9.585 1.00 0.00 C ATOM 0 H THR A 39 2.213 -6.163 -11.458 1.00 0.00 H new ATOM 0 HA THR A 39 2.766 -7.368 -8.825 1.00 0.00 H new ATOM 0 HB THR A 39 4.475 -6.680 -11.210 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.546 -9.034 -11.446 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.228 -8.105 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.844 -6.680 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.218 -8.282 -8.747 1.00 0.00 H new ATOM 575 N VAL A 40 3.330 -5.174 -7.769 1.00 0.00 N ATOM 576 CA VAL A 40 3.773 -3.946 -7.121 1.00 0.00 C ATOM 577 C VAL A 40 5.094 -4.169 -6.403 1.00 0.00 C ATOM 578 O VAL A 40 5.148 -4.877 -5.397 1.00 0.00 O ATOM 579 CB VAL A 40 2.734 -3.424 -6.112 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.168 -2.078 -5.548 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.363 -3.324 -6.762 1.00 0.00 C ATOM 0 H VAL A 40 2.826 -5.820 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 40 3.899 -3.200 -7.905 1.00 0.00 H new ATOM 0 HB VAL A 40 2.666 -4.132 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.422 -1.724 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.128 -2.187 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.266 -1.358 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.641 -2.953 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.410 -2.638 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.053 -4.309 -7.111 1.00 0.00 H new ATOM 591 N VAL A 41 6.162 -3.571 -6.920 1.00 0.00 N ATOM 592 CA VAL A 41 7.468 -3.730 -6.305 1.00 0.00 C ATOM 593 C VAL A 41 7.554 -2.960 -4.996 1.00 0.00 C ATOM 594 O VAL A 41 7.857 -1.768 -4.975 1.00 0.00 O ATOM 595 CB VAL A 41 8.624 -3.311 -7.234 1.00 0.00 C ATOM 596 CG1 VAL A 41 8.550 -1.828 -7.562 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.967 -3.667 -6.600 1.00 0.00 C ATOM 0 H VAL A 41 6.148 -2.981 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 41 7.579 -4.796 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 41 8.530 -3.860 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.377 -1.559 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.605 -1.612 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.614 -1.248 -6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.775 -3.366 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.069 -3.147 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.017 -4.743 -6.433 1.00 0.00 H new ATOM 607 N LEU A 42 7.288 -3.665 -3.903 1.00 0.00 N ATOM 608 CA LEU A 42 7.333 -3.079 -2.568 1.00 0.00 C ATOM 609 C LEU A 42 8.610 -2.271 -2.358 1.00 0.00 C ATOM 610 O LEU A 42 8.658 -1.378 -1.513 1.00 0.00 O ATOM 611 CB LEU A 42 7.258 -4.187 -1.525 1.00 0.00 C ATOM 612 CG LEU A 42 5.966 -5.011 -1.547 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.147 -6.331 -0.804 1.00 0.00 C ATOM 614 CD2 LEU A 42 4.819 -4.210 -0.950 1.00 0.00 C ATOM 0 H LEU A 42 7.036 -4.653 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 42 6.482 -2.405 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.103 -4.860 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.371 -3.743 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 42 5.725 -5.242 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.216 -6.896 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.939 -6.910 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.416 -6.131 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.908 -4.808 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.056 -3.948 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.670 -3.300 -1.531 1.00 0.00 H new ATOM 626 N SER A 43 9.641 -2.587 -3.136 1.00 0.00 N ATOM 627 CA SER A 43 10.913 -1.882 -3.034 1.00 0.00 C ATOM 628 C SER A 43 10.693 -0.400 -3.251 1.00 0.00 C ATOM 629 O SER A 43 10.992 0.424 -2.388 1.00 0.00 O ATOM 630 CB SER A 43 11.918 -2.424 -4.053 1.00 0.00 C ATOM 631 OG SER A 43 13.027 -3.022 -3.404 1.00 0.00 O ATOM 0 H SER A 43 9.620 -3.324 -3.841 1.00 0.00 H new ATOM 0 HA SER A 43 11.323 -2.042 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.430 -3.156 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.262 -1.614 -4.696 1.00 0.00 H new ATOM 0 HG SER A 43 13.839 -2.860 -3.928 1.00 0.00 H new ATOM 637 N THR A 44 10.133 -0.080 -4.401 1.00 0.00 N ATOM 638 CA THR A 44 9.824 1.285 -4.740 1.00 0.00 C ATOM 639 C THR A 44 8.759 1.817 -3.790 1.00 0.00 C ATOM 640 O THR A 44 8.640 3.025 -3.587 1.00 0.00 O ATOM 641 CB THR A 44 9.334 1.361 -6.181 1.00 0.00 C ATOM 642 OG1 THR A 44 8.172 0.572 -6.358 1.00 0.00 O ATOM 643 CG2 THR A 44 10.364 0.901 -7.190 1.00 0.00 C ATOM 0 H THR A 44 9.882 -0.759 -5.120 1.00 0.00 H new ATOM 0 HA THR A 44 10.722 1.896 -4.644 1.00 0.00 H new ATOM 0 HB THR A 44 9.124 2.416 -6.359 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.781 0.758 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.950 0.981 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.253 1.527 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.632 -0.136 -6.990 1.00 0.00 H new ATOM 651 N ILE A 45 7.990 0.900 -3.196 1.00 0.00 N ATOM 652 CA ILE A 45 6.945 1.288 -2.255 1.00 0.00 C ATOM 653 C ILE A 45 7.549 1.645 -0.900 1.00 0.00 C ATOM 654 O ILE A 45 8.124 0.794 -0.222 1.00 0.00 O ATOM 655 CB ILE A 45 5.903 0.169 -2.066 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.393 -0.319 -3.423 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.747 0.662 -1.207 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.634 0.735 -4.199 1.00 0.00 C ATOM 0 H ILE A 45 8.072 -0.105 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 45 6.444 2.160 -2.675 1.00 0.00 H new ATOM 0 HB ILE A 45 6.380 -0.668 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.240 -0.658 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.745 -1.182 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.019 -0.139 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.123 0.966 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.270 1.513 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.303 0.318 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.767 1.057 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.285 1.590 -4.384 1.00 0.00 H new ATOM 670 N ASP A 46 7.426 2.912 -0.518 1.00 0.00 N ATOM 671 CA ASP A 46 7.972 3.384 0.750 1.00 0.00 C ATOM 672 C ASP A 46 6.897 3.474 1.832 1.00 0.00 C ATOM 673 O ASP A 46 7.211 3.622 3.013 1.00 0.00 O ATOM 674 CB ASP A 46 8.634 4.751 0.561 1.00 0.00 C ATOM 675 CG ASP A 46 10.002 4.825 1.209 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.661 3.771 1.329 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.416 5.938 1.597 1.00 0.00 O ATOM 0 H ASP A 46 6.954 3.630 -1.067 1.00 0.00 H new ATOM 0 HA ASP A 46 8.717 2.659 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.728 4.962 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.992 5.524 0.984 1.00 0.00 H new ATOM 682 N LYS A 47 5.631 3.390 1.433 1.00 0.00 N ATOM 683 CA LYS A 47 4.531 3.468 2.388 1.00 0.00 C ATOM 684 C LYS A 47 3.618 2.250 2.286 1.00 0.00 C ATOM 685 O LYS A 47 3.452 1.663 1.217 1.00 0.00 O ATOM 686 CB LYS A 47 3.722 4.746 2.170 1.00 0.00 C ATOM 687 CG LYS A 47 3.670 5.647 3.393 1.00 0.00 C ATOM 688 CD LYS A 47 4.941 6.470 3.533 1.00 0.00 C ATOM 689 CE LYS A 47 4.883 7.732 2.687 1.00 0.00 C ATOM 690 NZ LYS A 47 6.068 8.605 2.911 1.00 0.00 N ATOM 0 H LYS A 47 5.343 3.269 0.462 1.00 0.00 H new ATOM 0 HA LYS A 47 4.964 3.486 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.153 5.302 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.705 4.478 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.810 6.313 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.528 5.040 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.089 6.738 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.800 5.869 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.826 7.460 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.974 8.286 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.991 9.455 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.108 8.885 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.934 8.086 2.662 1.00 0.00 H new ATOM 704 N LEU A 48 3.029 1.888 3.417 1.00 0.00 N ATOM 705 CA LEU A 48 2.121 0.750 3.499 1.00 0.00 C ATOM 706 C LEU A 48 1.166 0.947 4.670 1.00 0.00 C ATOM 707 O LEU A 48 1.603 1.194 5.793 1.00 0.00 O ATOM 708 CB LEU A 48 2.918 -0.547 3.670 1.00 0.00 C ATOM 709 CG LEU A 48 2.097 -1.780 4.064 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.012 -2.761 2.905 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.705 -2.450 5.288 1.00 0.00 C ATOM 0 H LEU A 48 3.166 2.374 4.303 1.00 0.00 H new ATOM 0 HA LEU A 48 1.543 0.679 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.436 -0.761 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.684 -0.385 4.428 1.00 0.00 H new ATOM 0 HG LEU A 48 1.086 -1.457 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.425 -3.629 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.534 -2.277 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.016 -3.081 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.112 -3.324 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.726 -2.759 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.713 -1.747 6.121 1.00 0.00 H new ATOM 723 N GLN A 49 -0.136 0.860 4.413 1.00 0.00 N ATOM 724 CA GLN A 49 -1.117 1.060 5.475 1.00 0.00 C ATOM 725 C GLN A 49 -2.334 0.151 5.329 1.00 0.00 C ATOM 726 O GLN A 49 -2.869 -0.027 4.234 1.00 0.00 O ATOM 727 CB GLN A 49 -1.581 2.521 5.500 1.00 0.00 C ATOM 728 CG GLN A 49 -0.482 3.525 5.188 1.00 0.00 C ATOM 729 CD GLN A 49 -0.366 3.819 3.705 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.077 2.976 2.926 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.764 5.022 3.308 1.00 0.00 N ATOM 0 H GLN A 49 -0.532 0.656 3.495 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.620 0.805 6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.389 2.647 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.994 2.744 6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.680 4.453 5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.470 3.142 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.125 5.690 3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.709 5.278 2.322 1.00 0.00 H new ATOM 740 N ALA A 50 -2.784 -0.386 6.460 1.00 0.00 N ATOM 741 CA ALA A 50 -3.962 -1.243 6.501 1.00 0.00 C ATOM 742 C ALA A 50 -5.021 -0.590 7.377 1.00 0.00 C ATOM 743 O ALA A 50 -4.693 0.182 8.275 1.00 0.00 O ATOM 744 CB ALA A 50 -3.616 -2.626 7.027 1.00 0.00 C ATOM 0 H ALA A 50 -2.344 -0.240 7.368 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.347 -1.364 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.514 -3.243 7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.873 -3.087 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.212 -2.541 8.036 1.00 0.00 H new ATOM 750 N THR A 51 -6.286 -0.871 7.111 1.00 0.00 N ATOM 751 CA THR A 51 -7.353 -0.260 7.888 1.00 0.00 C ATOM 752 C THR A 51 -7.503 -0.914 9.263 1.00 0.00 C ATOM 753 O THR A 51 -7.691 -2.125 9.377 1.00 0.00 O ATOM 754 CB THR A 51 -8.666 -0.294 7.116 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.683 -1.368 6.193 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.915 0.986 6.345 1.00 0.00 C ATOM 0 H THR A 51 -6.597 -1.507 6.376 1.00 0.00 H new ATOM 0 HA THR A 51 -7.082 0.782 8.058 1.00 0.00 H new ATOM 0 HB THR A 51 -9.449 -0.418 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.564 -1.419 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.863 0.911 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.954 1.826 7.038 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.108 1.143 5.629 1.00 0.00 H new ATOM 764 N PRO A 52 -7.408 -0.094 10.328 1.00 0.00 N ATOM 765 CA PRO A 52 -7.513 -0.529 11.716 1.00 0.00 C ATOM 766 C PRO A 52 -8.935 -0.433 12.247 1.00 0.00 C ATOM 767 O PRO A 52 -9.801 0.165 11.609 1.00 0.00 O ATOM 768 CB PRO A 52 -6.616 0.471 12.430 1.00 0.00 C ATOM 769 CG PRO A 52 -6.839 1.745 11.688 1.00 0.00 C ATOM 770 CD PRO A 52 -7.176 1.363 10.264 1.00 0.00 C ATOM 0 HA PRO A 52 -7.233 -1.573 11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.885 0.569 13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.570 0.166 12.395 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.650 2.318 12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.949 2.373 11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.060 1.892 9.908 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.362 1.608 9.582 1.00 0.00 H new ATOM 778 N ALA A 53 -9.168 -1.030 13.416 1.00 0.00 N ATOM 779 CA ALA A 53 -10.486 -1.019 14.061 1.00 0.00 C ATOM 780 C ALA A 53 -11.215 0.327 13.916 1.00 0.00 C ATOM 781 O ALA A 53 -12.422 0.406 14.145 1.00 0.00 O ATOM 782 CB ALA A 53 -10.347 -1.380 15.532 1.00 0.00 C ATOM 0 H ALA A 53 -8.454 -1.533 13.942 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.095 -1.764 13.549 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.330 -1.370 16.004 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.911 -2.375 15.623 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.700 -0.654 16.025 1.00 0.00 H new ATOM 788 N SER A 54 -10.493 1.376 13.518 1.00 0.00 N ATOM 789 CA SER A 54 -11.097 2.691 13.330 1.00 0.00 C ATOM 790 C SER A 54 -12.182 2.611 12.280 1.00 0.00 C ATOM 791 O SER A 54 -13.176 3.336 12.325 1.00 0.00 O ATOM 792 CB SER A 54 -10.033 3.668 12.856 1.00 0.00 C ATOM 793 OG SER A 54 -8.950 3.733 13.768 1.00 0.00 O ATOM 0 H SER A 54 -9.493 1.338 13.321 1.00 0.00 H new ATOM 0 HA SER A 54 -11.524 3.026 14.275 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.668 3.363 11.875 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.472 4.659 12.739 1.00 0.00 H new ATOM 0 HG SER A 54 -8.281 4.367 13.436 1.00 0.00 H new ATOM 799 N SER A 55 -11.976 1.712 11.343 1.00 0.00 N ATOM 800 CA SER A 55 -12.919 1.495 10.269 1.00 0.00 C ATOM 801 C SER A 55 -13.069 0.010 9.972 1.00 0.00 C ATOM 802 O SER A 55 -12.091 -0.667 9.654 1.00 0.00 O ATOM 803 CB SER A 55 -12.437 2.219 9.026 1.00 0.00 C ATOM 804 OG SER A 55 -13.238 1.903 7.903 1.00 0.00 O ATOM 0 H SER A 55 -11.152 1.112 11.304 1.00 0.00 H new ATOM 0 HA SER A 55 -13.891 1.884 10.572 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.457 3.295 9.199 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.401 1.948 8.824 1.00 0.00 H new ATOM 0 HG SER A 55 -14.143 1.673 8.201 1.00 0.00 H new ATOM 810 N GLU A 56 -14.295 -0.491 10.050 1.00 0.00 N ATOM 811 CA GLU A 56 -14.553 -1.896 9.758 1.00 0.00 C ATOM 812 C GLU A 56 -14.124 -2.222 8.328 1.00 0.00 C ATOM 813 O GLU A 56 -13.973 -3.388 7.962 1.00 0.00 O ATOM 814 CB GLU A 56 -16.036 -2.218 9.949 1.00 0.00 C ATOM 815 CG GLU A 56 -16.959 -1.369 9.091 1.00 0.00 C ATOM 816 CD GLU A 56 -17.521 -0.178 9.842 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.519 -0.354 10.572 1.00 0.00 O ATOM 818 OE2 GLU A 56 -16.964 0.930 9.699 1.00 0.00 O ATOM 0 H GLU A 56 -15.120 0.049 10.311 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.973 -2.507 10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.204 -3.270 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.297 -2.077 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.414 -1.017 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.781 -1.986 8.728 1.00 0.00 H new ATOM 825 N LYS A 57 -13.931 -1.175 7.526 1.00 0.00 N ATOM 826 CA LYS A 57 -13.521 -1.323 6.140 1.00 0.00 C ATOM 827 C LYS A 57 -12.088 -1.837 6.041 1.00 0.00 C ATOM 828 O LYS A 57 -11.174 -1.279 6.647 1.00 0.00 O ATOM 829 CB LYS A 57 -13.655 0.019 5.415 1.00 0.00 C ATOM 830 CG LYS A 57 -15.085 0.326 4.988 1.00 0.00 C ATOM 831 CD LYS A 57 -15.916 0.872 6.139 1.00 0.00 C ATOM 832 CE LYS A 57 -15.747 2.376 6.286 1.00 0.00 C ATOM 833 NZ LYS A 57 -16.444 2.900 7.494 1.00 0.00 N ATOM 0 H LYS A 57 -14.055 -0.207 7.822 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.172 -2.056 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.298 0.815 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.012 0.016 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.073 1.050 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.551 -0.580 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.967 0.638 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.623 0.380 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.686 2.617 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.137 2.873 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.884 3.671 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.382 3.259 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.553 2.136 8.191 1.00 0.00 H new ATOM 847 N MET A 58 -11.902 -2.903 5.268 1.00 0.00 N ATOM 848 CA MET A 58 -10.579 -3.495 5.083 1.00 0.00 C ATOM 849 C MET A 58 -9.959 -3.027 3.772 1.00 0.00 C ATOM 850 O MET A 58 -10.599 -3.075 2.721 1.00 0.00 O ATOM 851 CB MET A 58 -10.664 -5.022 5.099 1.00 0.00 C ATOM 852 CG MET A 58 -11.922 -5.575 4.455 1.00 0.00 C ATOM 853 SD MET A 58 -13.273 -5.777 5.630 1.00 0.00 S ATOM 854 CE MET A 58 -14.625 -6.136 4.514 1.00 0.00 C ATOM 0 H MET A 58 -12.650 -3.375 4.759 1.00 0.00 H new ATOM 0 HA MET A 58 -9.947 -3.168 5.908 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.794 -5.430 4.584 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.614 -5.368 6.131 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.239 -4.907 3.654 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.697 -6.538 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.559 -5.776 4.946 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.451 -5.639 3.560 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.690 -7.212 4.356 1.00 0.00 H new ATOM 864 N MET A 59 -8.714 -2.567 3.838 1.00 0.00 N ATOM 865 CA MET A 59 -8.023 -2.083 2.650 1.00 0.00 C ATOM 866 C MET A 59 -6.526 -1.924 2.902 1.00 0.00 C ATOM 867 O MET A 59 -6.099 -1.643 4.023 1.00 0.00 O ATOM 868 CB MET A 59 -8.615 -0.741 2.222 1.00 0.00 C ATOM 869 CG MET A 59 -8.634 0.280 3.344 1.00 0.00 C ATOM 870 SD MET A 59 -10.155 1.246 3.394 1.00 0.00 S ATOM 871 CE MET A 59 -9.519 2.830 3.942 1.00 0.00 C ATOM 0 H MET A 59 -8.166 -2.519 4.697 1.00 0.00 H new ATOM 0 HA MET A 59 -8.158 -2.819 1.857 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.038 -0.345 1.387 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.632 -0.896 1.862 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.505 -0.233 4.297 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.786 0.955 3.228 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.236 3.296 4.618 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.573 2.682 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.361 3.477 3.079 1.00 0.00 H new ATOM 881 N LEU A 60 -5.737 -2.082 1.845 1.00 0.00 N ATOM 882 CA LEU A 60 -4.289 -1.933 1.934 1.00 0.00 C ATOM 883 C LEU A 60 -3.817 -0.888 0.925 1.00 0.00 C ATOM 884 O LEU A 60 -4.181 -0.943 -0.248 1.00 0.00 O ATOM 885 CB LEU A 60 -3.586 -3.275 1.680 1.00 0.00 C ATOM 886 CG LEU A 60 -3.710 -4.313 2.805 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.727 -5.458 2.592 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.481 -3.667 4.164 1.00 0.00 C ATOM 0 H LEU A 60 -6.078 -2.314 0.912 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.032 -1.602 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.989 -3.708 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.528 -3.083 1.503 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.722 -4.716 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.831 -6.182 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.936 -5.945 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.709 -5.067 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.574 -4.421 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.482 -3.232 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.223 -2.885 4.325 1.00 0.00 H new ATOM 900 N ARG A 61 -3.019 0.071 1.384 1.00 0.00 N ATOM 901 CA ARG A 61 -2.523 1.133 0.510 1.00 0.00 C ATOM 902 C ARG A 61 -0.999 1.106 0.424 1.00 0.00 C ATOM 903 O ARG A 61 -0.314 0.861 1.416 1.00 0.00 O ATOM 904 CB ARG A 61 -2.993 2.500 1.020 1.00 0.00 C ATOM 905 CG ARG A 61 -2.362 3.682 0.293 1.00 0.00 C ATOM 906 CD ARG A 61 -3.408 4.542 -0.397 1.00 0.00 C ATOM 907 NE ARG A 61 -2.837 5.775 -0.933 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.557 6.848 -1.253 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.875 6.843 -1.093 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.958 7.929 -1.733 1.00 0.00 N ATOM 0 H ARG A 61 -2.702 0.136 2.351 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.926 0.964 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.077 2.561 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.766 2.577 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.803 4.290 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.648 3.316 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.868 3.974 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.200 4.787 0.311 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.827 5.816 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.341 6.014 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.422 7.668 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.946 7.938 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.510 8.751 -1.978 1.00 0.00 H new ATOM 924 N LEU A 62 -0.481 1.366 -0.772 1.00 0.00 N ATOM 925 CA LEU A 62 0.959 1.380 -1.001 1.00 0.00 C ATOM 926 C LEU A 62 1.366 2.632 -1.771 1.00 0.00 C ATOM 927 O LEU A 62 0.654 3.074 -2.672 1.00 0.00 O ATOM 928 CB LEU A 62 1.393 0.131 -1.774 1.00 0.00 C ATOM 929 CG LEU A 62 0.483 -1.089 -1.612 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.718 -2.080 -2.740 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.712 -1.748 -0.260 1.00 0.00 C ATOM 0 H LEU A 62 -1.040 1.571 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 62 1.457 1.385 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.451 0.382 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.399 -0.142 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.554 -0.757 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.063 -2.942 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.503 -1.602 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.757 -2.409 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.057 -2.614 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.751 -2.069 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.492 -1.035 0.534 1.00 0.00 H new ATOM 943 N ILE A 63 2.512 3.202 -1.414 1.00 0.00 N ATOM 944 CA ILE A 63 3.003 4.403 -2.079 1.00 0.00 C ATOM 945 C ILE A 63 4.467 4.244 -2.486 1.00 0.00 C ATOM 946 O ILE A 63 5.306 3.841 -1.681 1.00 0.00 O ATOM 947 CB ILE A 63 2.835 5.645 -1.176 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.385 6.123 -1.210 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.769 6.773 -1.593 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.682 5.962 0.111 1.00 0.00 C ATOM 0 H ILE A 63 3.116 2.853 -0.670 1.00 0.00 H new ATOM 0 HA ILE A 63 2.406 4.547 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 63 3.098 5.356 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.361 7.173 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.843 5.567 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.622 7.629 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.803 6.434 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.552 7.064 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.344 6.319 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.677 4.910 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.203 6.541 0.874 1.00 0.00 H new ATOM 962 N GLY A 64 4.760 4.561 -3.742 1.00 0.00 N ATOM 963 CA GLY A 64 6.118 4.447 -4.242 1.00 0.00 C ATOM 964 C GLY A 64 7.106 5.287 -3.455 1.00 0.00 C ATOM 965 O GLY A 64 6.824 5.701 -2.331 1.00 0.00 O ATOM 0 H GLY A 64 4.080 4.896 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.427 3.402 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.142 4.751 -5.288 1.00 0.00 H new ATOM 1311 N ARG A 86 0.870 6.204 -5.700 1.00 0.00 N ATOM 1312 CA ARG A 86 0.062 5.756 -4.571 1.00 0.00 C ATOM 1313 C ARG A 86 -1.065 4.839 -5.037 1.00 0.00 C ATOM 1314 O ARG A 86 -1.913 5.239 -5.834 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.520 6.958 -3.822 1.00 0.00 C ATOM 1316 CG ARG A 86 0.416 8.156 -3.764 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.161 9.275 -2.912 1.00 0.00 C ATOM 1318 NE ARG A 86 0.435 10.570 -3.232 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.114 11.739 -2.908 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.269 11.780 -2.255 1.00 0.00 N ATOM 1321 NH2 ARG A 86 0.495 12.870 -3.237 1.00 0.00 N ATOM 0 HA ARG A 86 0.708 5.194 -3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.451 7.259 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.770 6.655 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.379 7.847 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.600 8.524 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.239 9.325 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.004 9.050 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 86 1.324 10.579 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.741 10.913 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.684 12.679 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.383 12.844 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.075 13.766 -2.989 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.067 3.608 -4.535 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.090 2.635 -4.901 1.00 0.00 C ATOM 1337 C HIS A 87 -2.931 2.244 -3.690 1.00 0.00 C ATOM 1338 O HIS A 87 -2.406 1.750 -2.692 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.446 1.385 -5.507 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.304 1.679 -6.430 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.474 1.989 -7.764 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.031 1.708 -6.206 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.707 2.193 -8.320 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.636 2.030 -7.396 1.00 0.00 N ATOM 0 H HIS A 87 -0.372 3.261 -3.874 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.742 3.098 -5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.093 0.743 -4.700 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.206 0.824 -6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.527 1.514 -5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.883 2.449 -9.354 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.641 2.127 -7.542 1.00 0.00 H new ATOM 1353 N MET A 88 -4.239 2.459 -3.788 1.00 0.00 N ATOM 1354 CA MET A 88 -5.151 2.118 -2.702 1.00 0.00 C ATOM 1355 C MET A 88 -5.881 0.818 -3.011 1.00 0.00 C ATOM 1356 O MET A 88 -6.756 0.774 -3.875 1.00 0.00 O ATOM 1357 CB MET A 88 -6.167 3.240 -2.478 1.00 0.00 C ATOM 1358 CG MET A 88 -6.578 3.429 -1.022 1.00 0.00 C ATOM 1359 SD MET A 88 -6.939 1.875 -0.172 1.00 0.00 S ATOM 1360 CE MET A 88 -7.713 2.464 1.339 1.00 0.00 C ATOM 0 H MET A 88 -4.690 2.867 -4.607 1.00 0.00 H new ATOM 0 HA MET A 88 -4.563 1.989 -1.793 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.747 4.175 -2.850 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.058 3.032 -3.071 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.780 3.948 -0.491 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.458 4.070 -0.981 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.078 2.222 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.847 3.544 1.282 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.684 1.984 1.462 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.513 -0.238 -2.301 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.127 -1.543 -2.495 1.00 0.00 C ATOM 1372 C PHE A 89 -7.280 -1.738 -1.517 1.00 0.00 C ATOM 1373 O PHE A 89 -7.207 -1.301 -0.369 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.081 -2.641 -2.315 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.883 -3.483 -3.540 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.963 -4.083 -4.164 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.617 -3.669 -4.069 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.784 -4.855 -5.295 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.432 -4.439 -5.200 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.518 -5.033 -5.813 1.00 0.00 C ATOM 0 H PHE A 89 -4.789 -0.216 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.525 -1.600 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.130 -2.185 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.378 -3.283 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.956 -3.946 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.765 -3.207 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.634 -5.319 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.440 -4.577 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.376 -5.636 -6.697 1.00 0.00 H new ATOM 1390 N SER A 90 -8.351 -2.381 -1.975 1.00 0.00 N ATOM 1391 CA SER A 90 -9.514 -2.606 -1.126 1.00 0.00 C ATOM 1392 C SER A 90 -10.141 -3.970 -1.382 1.00 0.00 C ATOM 1393 O SER A 90 -10.476 -4.309 -2.518 1.00 0.00 O ATOM 1394 CB SER A 90 -10.554 -1.513 -1.367 1.00 0.00 C ATOM 1395 OG SER A 90 -11.435 -1.393 -0.264 1.00 0.00 O ATOM 0 H SER A 90 -8.436 -2.752 -2.921 1.00 0.00 H new ATOM 0 HA SER A 90 -9.178 -2.576 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.052 -0.561 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.124 -1.741 -2.268 1.00 0.00 H new ATOM 0 HG SER A 90 -12.089 -0.686 -0.443 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.313 -4.744 -0.315 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.920 -6.064 -0.420 1.00 0.00 C ATOM 1403 C PHE A 91 -11.990 -6.242 0.650 1.00 0.00 C ATOM 1404 O PHE A 91 -12.119 -5.416 1.553 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.880 -7.192 -0.315 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.499 -6.764 0.103 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.783 -5.832 -0.631 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.908 -7.321 1.223 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.509 -5.463 -0.251 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.634 -6.958 1.604 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.933 -6.027 0.867 1.00 0.00 C ATOM 0 H PHE A 91 -10.040 -4.479 0.631 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.378 -6.129 -1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.243 -7.932 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.810 -7.689 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.227 -5.389 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.452 -8.049 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.963 -4.732 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.185 -7.403 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.935 -5.740 1.165 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.756 -7.320 0.541 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.817 -7.601 1.500 1.00 0.00 C ATOM 1423 C ASN A 92 -13.336 -8.572 2.571 1.00 0.00 C ATOM 1424 O ASN A 92 -14.122 -9.341 3.124 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.040 -8.178 0.785 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.540 -7.274 -0.325 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.841 -6.102 -0.099 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.633 -7.817 -1.534 1.00 0.00 N ATOM 0 H ASN A 92 -12.663 -8.014 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.095 -6.664 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.788 -9.154 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.839 -8.337 1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.965 -7.258 -2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.373 -8.793 -1.676 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.039 -8.533 2.861 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.460 -9.414 3.868 1.00 0.00 C ATOM 1437 C ASN A 93 -10.624 -8.637 4.878 1.00 0.00 C ATOM 1438 O ASN A 93 -9.583 -8.076 4.538 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.604 -10.492 3.201 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.336 -11.200 2.078 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.511 -10.649 0.991 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.770 -12.428 2.336 1.00 0.00 N ATOM 0 H ASN A 93 -11.372 -7.903 2.415 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.282 -9.887 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.694 -10.038 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.298 -11.223 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.271 -12.953 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.603 -12.846 3.251 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.086 -8.621 6.125 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.381 -7.927 7.196 1.00 0.00 C ATOM 1451 C ARG A 94 -9.291 -8.818 7.781 1.00 0.00 C ATOM 1452 O ARG A 94 -8.259 -8.334 8.246 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.360 -7.507 8.294 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.821 -6.417 9.205 1.00 0.00 C ATOM 1455 CD ARG A 94 -10.216 -6.999 10.473 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.149 -6.953 11.596 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.420 -5.850 12.290 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.832 -4.701 11.981 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -12.282 -5.896 13.297 1.00 0.00 N ATOM 0 H ARG A 94 -11.947 -9.082 6.418 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.917 -7.033 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.284 -7.159 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.614 -8.379 8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.066 -5.837 8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.625 -5.729 9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.918 -8.032 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.312 -6.447 10.730 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.621 -7.817 11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.168 -4.660 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.044 -3.859 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.737 -6.776 13.539 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.490 -5.051 13.829 1.00 0.00 H new ATOM 1473 N THR A 95 -9.529 -10.125 7.751 1.00 0.00 N ATOM 1474 CA THR A 95 -8.590 -11.091 8.260 1.00 0.00 C ATOM 1475 C THR A 95 -7.402 -11.236 7.316 1.00 0.00 C ATOM 1476 O THR A 95 -6.257 -11.358 7.752 1.00 0.00 O ATOM 1477 CB THR A 95 -9.303 -12.420 8.424 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.709 -12.249 8.371 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.979 -13.112 9.720 1.00 0.00 C ATOM 0 H THR A 95 -10.382 -10.535 7.371 1.00 0.00 H new ATOM 0 HA THR A 95 -8.208 -10.756 9.224 1.00 0.00 H new ATOM 0 HB THR A 95 -8.950 -13.039 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.149 -13.118 8.477 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.521 -14.056 9.774 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.908 -13.306 9.771 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.273 -12.476 10.555 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.686 -11.214 6.017 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.645 -11.335 5.006 1.00 0.00 C ATOM 1489 C VAL A 96 -5.737 -10.113 5.022 1.00 0.00 C ATOM 1490 O VAL A 96 -4.527 -10.230 5.216 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.242 -11.498 3.594 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.143 -11.763 2.575 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.276 -12.614 3.576 1.00 0.00 C ATOM 0 H VAL A 96 -8.629 -11.113 5.641 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.067 -12.227 5.247 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.741 -10.568 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.584 -11.875 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.444 -10.927 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.613 -12.677 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.686 -12.714 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.805 -13.552 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.079 -12.377 4.274 1.00 0.00 H new ATOM 1503 N MET A 97 -6.329 -8.938 4.815 1.00 0.00 N ATOM 1504 CA MET A 97 -5.571 -7.685 4.806 1.00 0.00 C ATOM 1505 C MET A 97 -4.568 -7.616 5.957 1.00 0.00 C ATOM 1506 O MET A 97 -3.375 -7.403 5.741 1.00 0.00 O ATOM 1507 CB MET A 97 -6.523 -6.490 4.887 1.00 0.00 C ATOM 1508 CG MET A 97 -7.610 -6.648 5.937 1.00 0.00 C ATOM 1509 SD MET A 97 -7.343 -5.599 7.378 1.00 0.00 S ATOM 1510 CE MET A 97 -7.337 -3.982 6.610 1.00 0.00 C ATOM 0 H MET A 97 -7.330 -8.826 4.651 1.00 0.00 H new ATOM 0 HA MET A 97 -5.014 -7.651 3.870 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.947 -5.591 5.105 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.989 -6.341 3.913 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.576 -6.409 5.493 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.654 -7.690 6.254 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.727 -3.245 7.312 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.317 -3.715 6.332 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.963 -4.001 5.718 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.061 -7.787 7.178 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.212 -7.732 8.363 1.00 0.00 C ATOM 1522 C ASP A 98 -3.140 -8.820 8.339 1.00 0.00 C ATOM 1523 O ASP A 98 -2.121 -8.709 9.020 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.061 -7.870 9.627 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.574 -6.534 10.128 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.741 -5.649 10.417 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.808 -6.373 10.231 1.00 0.00 O ATOM 0 H ASP A 98 -6.046 -7.965 7.374 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.710 -6.764 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.906 -8.527 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.469 -8.345 10.409 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.378 -9.876 7.568 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.432 -10.983 7.481 1.00 0.00 C ATOM 1534 C ASN A 99 -1.351 -10.730 6.432 1.00 0.00 C ATOM 1535 O ASN A 99 -0.208 -11.157 6.597 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.171 -12.284 7.159 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.623 -13.016 8.407 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.131 -12.757 9.506 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.565 -13.938 8.244 1.00 0.00 N ATOM 0 H ASN A 99 -4.215 -9.989 6.996 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.942 -11.069 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.038 -12.062 6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.519 -12.934 6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.909 -14.464 9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.945 -14.120 7.315 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.712 -10.050 5.348 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.757 -9.770 4.281 1.00 0.00 C ATOM 1548 C ILE A 100 0.030 -8.485 4.541 1.00 0.00 C ATOM 1549 O ILE A 100 1.187 -8.369 4.139 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.450 -9.681 2.907 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.405 -9.627 1.791 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.371 -8.472 2.842 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.994 -9.368 0.421 1.00 0.00 C ATOM 0 H ILE A 100 -2.651 -9.685 5.186 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.059 -10.607 4.269 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.060 -10.574 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.319 -8.845 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.141 -10.570 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.849 -8.431 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.135 -8.555 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.790 -7.563 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.195 -9.343 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.696 -10.163 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.516 -8.411 0.424 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.594 -7.525 5.219 1.00 0.00 N ATOM 1566 CA LYS A 101 0.069 -6.263 5.527 1.00 0.00 C ATOM 1567 C LYS A 101 0.979 -6.426 6.734 1.00 0.00 C ATOM 1568 O LYS A 101 2.063 -5.849 6.792 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.960 -5.164 5.800 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.367 -3.762 5.802 1.00 0.00 C ATOM 1571 CD LYS A 101 0.181 -3.381 7.170 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.933 -3.114 8.171 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.457 -3.221 9.578 1.00 0.00 N ATOM 0 H LYS A 101 -1.551 -7.597 5.563 1.00 0.00 H new ATOM 0 HA LYS A 101 0.669 -5.975 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.745 -5.217 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.432 -5.351 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.431 -3.704 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.131 -3.044 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.819 -4.183 7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.806 -2.493 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.342 -2.118 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.744 -3.823 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.944 -4.010 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.569 -3.393 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.663 -2.335 10.083 1.00 0.00 H new ATOM 1587 N MET A 102 0.526 -7.219 7.698 1.00 0.00 N ATOM 1588 CA MET A 102 1.295 -7.467 8.916 1.00 0.00 C ATOM 1589 C MET A 102 2.746 -7.803 8.582 1.00 0.00 C ATOM 1590 O MET A 102 3.663 -7.471 9.333 1.00 0.00 O ATOM 1591 CB MET A 102 0.666 -8.607 9.720 1.00 0.00 C ATOM 1592 CG MET A 102 -0.199 -8.131 10.876 1.00 0.00 C ATOM 1593 SD MET A 102 -1.004 -9.489 11.747 1.00 0.00 S ATOM 1594 CE MET A 102 -0.199 -9.391 13.344 1.00 0.00 C ATOM 0 H MET A 102 -0.371 -7.703 7.661 1.00 0.00 H new ATOM 0 HA MET A 102 1.280 -6.558 9.518 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.061 -9.220 9.053 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.458 -9.246 10.109 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.417 -7.569 11.578 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.958 -7.446 10.498 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.591 -10.170 13.998 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.875 -9.529 13.219 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.390 -8.414 13.788 1.00 0.00 H new ATOM 1604 N THR A 103 2.940 -8.459 7.445 1.00 0.00 N ATOM 1605 CA THR A 103 4.272 -8.840 6.994 1.00 0.00 C ATOM 1606 C THR A 103 4.940 -7.688 6.246 1.00 0.00 C ATOM 1607 O THR A 103 6.164 -7.564 6.241 1.00 0.00 O ATOM 1608 CB THR A 103 4.183 -10.074 6.093 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.638 -11.171 6.803 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.519 -10.512 5.530 1.00 0.00 C ATOM 0 H THR A 103 2.188 -8.739 6.816 1.00 0.00 H new ATOM 0 HA THR A 103 4.880 -9.078 7.867 1.00 0.00 H new ATOM 0 HB THR A 103 3.542 -9.776 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.587 -11.951 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.378 -11.391 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.945 -9.705 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.197 -10.755 6.348 1.00 0.00 H new ATOM 1618 N LEU A 104 4.124 -6.850 5.615 1.00 0.00 N ATOM 1619 CA LEU A 104 4.631 -5.709 4.861 1.00 0.00 C ATOM 1620 C LEU A 104 4.979 -4.547 5.786 1.00 0.00 C ATOM 1621 O LEU A 104 5.963 -3.841 5.563 1.00 0.00 O ATOM 1622 CB LEU A 104 3.598 -5.261 3.825 1.00 0.00 C ATOM 1623 CG LEU A 104 3.366 -6.227 2.654 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.143 -5.447 1.372 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.536 -7.189 2.486 1.00 0.00 C ATOM 0 H LEU A 104 3.108 -6.940 5.611 1.00 0.00 H new ATOM 0 HA LEU A 104 5.542 -6.021 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.647 -5.100 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.910 -4.298 3.421 1.00 0.00 H new ATOM 0 HG LEU A 104 2.477 -6.817 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.979 -6.141 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.270 -4.805 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.020 -4.834 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.339 -7.859 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.447 -6.623 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.660 -7.774 3.397 1.00 0.00 H new ATOM 1637 N GLN A 105 4.170 -4.353 6.824 1.00 0.00 N ATOM 1638 CA GLN A 105 4.400 -3.273 7.781 1.00 0.00 C ATOM 1639 C GLN A 105 5.854 -3.257 8.240 1.00 0.00 C ATOM 1640 O GLN A 105 6.488 -2.204 8.295 1.00 0.00 O ATOM 1641 CB GLN A 105 3.472 -3.425 8.989 1.00 0.00 C ATOM 1642 CG GLN A 105 3.689 -2.369 10.061 1.00 0.00 C ATOM 1643 CD GLN A 105 2.484 -2.199 10.966 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.435 -2.750 12.065 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.503 -1.431 10.506 1.00 0.00 N ATOM 0 H GLN A 105 3.351 -4.927 7.024 1.00 0.00 H new ATOM 0 HA GLN A 105 4.183 -2.327 7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.437 -3.379 8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.620 -4.412 9.428 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.556 -2.641 10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.919 -1.416 9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.586 -0.993 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.667 -1.279 11.070 1.00 0.00 H new ATOM 1654 N GLN A 106 6.378 -4.435 8.559 1.00 0.00 N ATOM 1655 CA GLN A 106 7.758 -4.559 9.002 1.00 0.00 C ATOM 1656 C GLN A 106 8.714 -4.327 7.837 1.00 0.00 C ATOM 1657 O GLN A 106 9.763 -3.703 7.996 1.00 0.00 O ATOM 1658 CB GLN A 106 8.001 -5.941 9.611 1.00 0.00 C ATOM 1659 CG GLN A 106 6.940 -6.357 10.617 1.00 0.00 C ATOM 1660 CD GLN A 106 7.432 -6.279 12.049 1.00 0.00 C ATOM 1661 OE1 GLN A 106 8.366 -5.538 12.358 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.805 -7.046 12.933 1.00 0.00 N ATOM 0 H GLN A 106 5.867 -5.317 8.519 1.00 0.00 H new ATOM 0 HA GLN A 106 7.943 -3.802 9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.041 -6.680 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.975 -5.948 10.099 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.065 -5.717 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.620 -7.377 10.402 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.036 -7.645 12.634 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.093 -7.036 13.912 1.00 0.00 H new ATOM 1671 N ILE A 107 8.345 -4.839 6.667 1.00 0.00 N ATOM 1672 CA ILE A 107 9.162 -4.696 5.476 1.00 0.00 C ATOM 1673 C ILE A 107 9.434 -3.233 5.154 1.00 0.00 C ATOM 1674 O ILE A 107 10.576 -2.849 4.924 1.00 0.00 O ATOM 1675 CB ILE A 107 8.500 -5.398 4.271 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.260 -6.676 3.963 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.448 -4.495 3.045 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.541 -7.594 2.996 1.00 0.00 C ATOM 0 H ILE A 107 7.479 -5.359 6.522 1.00 0.00 H new ATOM 0 HA ILE A 107 10.120 -5.176 5.678 1.00 0.00 H new ATOM 0 HB ILE A 107 7.469 -5.635 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.235 -6.418 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.442 -7.214 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 107 7.975 -5.028 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.871 -3.600 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.461 -4.210 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.144 -8.486 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.578 -7.883 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.383 -7.075 2.051 1.00 0.00 H new ATOM 1690 N ILE A 108 8.390 -2.417 5.133 1.00 0.00 N ATOM 1691 CA ILE A 108 8.565 -1.005 4.837 1.00 0.00 C ATOM 1692 C ILE A 108 9.311 -0.319 5.964 1.00 0.00 C ATOM 1693 O ILE A 108 10.123 0.576 5.739 1.00 0.00 O ATOM 1694 CB ILE A 108 7.230 -0.278 4.612 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.297 -1.116 3.737 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.491 1.079 3.980 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.904 -1.517 2.411 1.00 0.00 C ATOM 0 H ILE A 108 7.428 -2.703 5.314 1.00 0.00 H new ATOM 0 HA ILE A 108 9.139 -0.952 3.912 1.00 0.00 H new ATOM 0 HB ILE A 108 6.738 -0.132 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.012 -2.015 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.383 -0.552 3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.544 1.594 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.121 1.674 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.996 0.944 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.184 -2.109 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.163 -0.623 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.802 -2.109 2.586 1.00 0.00 H new ATOM 1709 N SER A 109 9.032 -0.761 7.177 1.00 0.00 N ATOM 1710 CA SER A 109 9.674 -0.211 8.359 1.00 0.00 C ATOM 1711 C SER A 109 11.136 -0.645 8.419 1.00 0.00 C ATOM 1712 O SER A 109 11.966 0.020 9.037 1.00 0.00 O ATOM 1713 CB SER A 109 8.935 -0.663 9.618 1.00 0.00 C ATOM 1714 OG SER A 109 9.025 0.313 10.642 1.00 0.00 O ATOM 0 H SER A 109 8.361 -1.504 7.371 1.00 0.00 H new ATOM 0 HA SER A 109 9.637 0.877 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.888 -0.850 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.355 -1.605 9.971 1.00 0.00 H new ATOM 0 HG SER A 109 8.543 -0.000 11.436 1.00 0.00 H new ATOM 1720 N ARG A 110 11.445 -1.761 7.764 1.00 0.00 N ATOM 1721 CA ARG A 110 12.806 -2.274 7.735 1.00 0.00 C ATOM 1722 C ARG A 110 13.524 -1.807 6.470 1.00 0.00 C ATOM 1723 O ARG A 110 14.673 -1.370 6.525 1.00 0.00 O ATOM 1724 CB ARG A 110 12.809 -3.807 7.837 1.00 0.00 C ATOM 1725 CG ARG A 110 12.733 -4.528 6.499 1.00 0.00 C ATOM 1726 CD ARG A 110 12.784 -6.037 6.677 1.00 0.00 C ATOM 1727 NE ARG A 110 14.125 -6.569 6.450 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.449 -7.852 6.598 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.532 -8.736 6.971 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.693 -8.252 6.371 1.00 0.00 N ATOM 0 H ARG A 110 10.770 -2.325 7.248 1.00 0.00 H new ATOM 0 HA ARG A 110 13.345 -1.880 8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.715 -4.122 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.965 -4.119 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.811 -4.252 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.559 -4.207 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 110 12.457 -6.295 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.085 -6.508 5.985 1.00 0.00 H new ATOM 0 HE ARG A 110 14.856 -5.919 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.574 -8.434 7.146 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.786 -9.718 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.401 -7.577 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.941 -9.235 6.484 1.00 0.00 H new ATOM 1744 N TYR A 111 12.837 -1.893 5.330 1.00 0.00 N ATOM 1745 CA TYR A 111 13.420 -1.467 4.062 1.00 0.00 C ATOM 1746 C TYR A 111 13.582 0.052 4.009 1.00 0.00 C ATOM 1747 O TYR A 111 14.244 0.581 3.118 1.00 0.00 O ATOM 1748 CB TYR A 111 12.554 -1.936 2.889 1.00 0.00 C ATOM 1749 CG TYR A 111 12.815 -3.363 2.444 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.658 -4.207 3.162 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.211 -3.866 1.297 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.889 -5.505 2.749 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.437 -5.163 0.879 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.277 -5.978 1.608 1.00 0.00 C ATOM 1755 OH TYR A 111 13.505 -7.271 1.195 1.00 0.00 O ATOM 0 H TYR A 111 11.884 -2.251 5.261 1.00 0.00 H new ATOM 0 HA TYR A 111 14.407 -1.922 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.505 -1.842 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.719 -1.269 2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.139 -3.841 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.553 -3.231 0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.546 -6.146 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.958 -5.537 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 111 13.686 -7.836 1.975 1.00 0.00 H new ATOM 1765 N LYS A 112 12.973 0.750 4.963 1.00 0.00 N ATOM 1766 CA LYS A 112 13.054 2.205 5.017 1.00 0.00 C ATOM 1767 C LYS A 112 14.374 2.658 5.636 1.00 0.00 C ATOM 1768 O LYS A 112 15.071 3.511 5.087 1.00 0.00 O ATOM 1769 CB LYS A 112 11.885 2.761 5.829 1.00 0.00 C ATOM 1770 CG LYS A 112 10.676 3.131 4.987 1.00 0.00 C ATOM 1771 CD LYS A 112 10.898 4.430 4.227 1.00 0.00 C ATOM 1772 CE LYS A 112 11.264 5.572 5.163 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.160 6.897 4.491 1.00 0.00 N ATOM 0 H LYS A 112 12.418 0.331 5.709 1.00 0.00 H new ATOM 0 HA LYS A 112 13.004 2.587 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.586 2.021 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.220 3.643 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.464 2.328 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.801 3.230 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.692 4.292 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.995 4.687 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.607 5.553 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.281 5.430 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.070 7.396 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.920 6.760 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.418 7.462 4.951 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.155 5.129 3.234 1.00 0.00 N ATOM 1970 CA ASP B 70 -10.934 6.318 4.049 1.00 0.00 C ATOM 1971 C ASP B 70 -10.792 5.976 5.535 1.00 0.00 C ATOM 1972 O ASP B 70 -11.593 6.409 6.364 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.080 7.307 3.844 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.876 8.601 4.606 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.171 9.492 4.085 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.419 8.725 5.723 1.00 0.00 O ATOM 0 HA ASP B 70 -9.996 6.771 3.728 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.179 7.527 2.781 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.015 6.846 4.162 1.00 0.00 H new ATOM 1981 N ALA B 71 -9.754 5.214 5.861 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.477 4.825 7.244 1.00 0.00 C ATOM 1983 C ALA B 71 -8.130 4.117 7.350 1.00 0.00 C ATOM 1984 O ALA B 71 -7.912 3.309 8.252 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.585 3.943 7.799 1.00 0.00 C ATOM 0 H ALA B 71 -9.085 4.850 5.183 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.436 5.736 7.842 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.352 3.670 8.828 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.530 4.486 7.773 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.669 3.040 7.194 1.00 0.00 H new ATOM 1991 N THR B 72 -7.226 4.429 6.423 1.00 0.00 N ATOM 1992 CA THR B 72 -5.900 3.823 6.410 1.00 0.00 C ATOM 1993 C THR B 72 -4.801 4.882 6.493 1.00 0.00 C ATOM 1994 O THR B 72 -3.615 4.551 6.534 1.00 0.00 O ATOM 1995 CB THR B 72 -5.706 2.976 5.148 1.00 0.00 C ATOM 1996 OG1 THR B 72 -6.713 3.248 4.190 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.726 1.491 5.417 1.00 0.00 C ATOM 0 H THR B 72 -7.390 5.099 5.671 1.00 0.00 H new ATOM 0 HA THR B 72 -5.826 3.181 7.288 1.00 0.00 H new ATOM 0 HB THR B 72 -4.721 3.253 4.771 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.452 4.025 3.653 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.583 0.950 4.482 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.924 1.236 6.110 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.685 1.213 5.854 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.191 6.155 6.503 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.225 7.248 6.569 1.00 0.00 C ATOM 2007 C TRP B 73 -4.095 7.766 7.996 1.00 0.00 C ATOM 2008 O TRP B 73 -4.032 8.975 8.224 1.00 0.00 O ATOM 2009 CB TRP B 73 -4.632 8.397 5.632 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.577 7.986 4.542 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.663 8.674 4.092 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.519 6.786 3.773 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.287 7.971 3.088 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.600 6.805 2.876 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.654 5.698 3.760 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.833 5.768 1.977 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -4.885 4.673 2.872 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.964 4.714 1.995 1.00 0.00 C ATOM 0 H TRP B 73 -6.166 6.454 6.466 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.260 6.859 6.245 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.095 9.187 6.222 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -3.735 8.820 5.181 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -6.987 9.633 4.469 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.123 8.269 2.585 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -3.813 5.658 4.437 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.668 5.796 1.292 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.218 3.823 2.856 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.119 3.892 1.311 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.061 6.849 8.957 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.946 7.231 10.358 1.00 0.00 C ATOM 2031 C ASP B 74 -3.522 6.057 11.239 1.00 0.00 C ATOM 2032 O ASP B 74 -3.821 6.035 12.433 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.279 7.796 10.853 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.107 8.755 12.014 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.157 8.568 12.803 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -5.922 9.693 12.135 1.00 0.00 O ATOM 0 H ASP B 74 -4.111 5.844 8.793 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.170 7.994 10.429 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.779 8.310 10.032 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.928 6.975 11.157 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.827 5.084 10.657 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.378 3.921 11.423 1.00 0.00 C ATOM 2043 C LEU B 75 -1.009 3.410 10.982 1.00 0.00 C ATOM 2044 O LEU B 75 -0.374 2.644 11.707 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.403 2.785 11.342 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.871 2.408 9.933 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.691 3.527 9.326 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.688 2.089 9.034 1.00 0.00 C ATOM 0 H LEU B 75 -2.564 5.074 9.671 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.284 4.257 12.456 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.974 1.900 11.811 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.276 3.066 11.931 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.494 1.518 10.016 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.014 3.240 8.325 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.565 3.717 9.949 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.085 4.431 9.266 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.048 1.824 8.040 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.038 2.961 8.965 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.129 1.252 9.452 1.00 0.00 H new