USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 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 59 MET CE :methyl -139:sc= 0 (180deg=-1.06) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -0.0656 USER MOD Set 2.1: A 51 THR OG1 : rot 80:sc= 0.689 USER MOD Set 2.2: A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= 0 K(o=0.056,f=-1.1) USER MOD Set 3.2: A 28 THR OG1 : rot 170:sc= 0.0555 USER MOD Single : A 4 SER OG : rot 30:sc= 0.0789 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.0134 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -2.04 F(o=-4.1!,f=-2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -42:sc= 0.767 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0594) USER MOD Single : A 49 GLN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -22:sc= 0.393 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -126:sc= -1.87 (180deg=-5.21!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -130:sc= -0.497 (180deg=-2.24!) USER MOD Single : A 92 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.78) USER MOD Single : A 93 ASN : amide:sc= -2.73! C(o=-2.7!,f=-9.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.4) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.387 (180deg=-1.33!) USER MOD Single : A 102 MET CE :methyl 179:sc= -1.22 (180deg=-1.24) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.952 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -8.059 7.605 5.779 1.00 0.00 N ATOM 47 CA SER A 4 -7.518 6.729 6.811 1.00 0.00 C ATOM 48 C SER A 4 -8.507 5.624 7.160 1.00 0.00 C ATOM 49 O SER A 4 -9.682 5.887 7.426 1.00 0.00 O ATOM 50 CB SER A 4 -7.172 7.534 8.064 1.00 0.00 C ATOM 51 OG SER A 4 -8.323 8.171 8.596 1.00 0.00 O ATOM 0 HA SER A 4 -6.610 6.269 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.738 6.874 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.417 8.282 7.822 1.00 0.00 H new ATOM 0 HG SER A 4 -9.118 7.638 8.386 1.00 0.00 H new ATOM 57 N GLY A 5 -8.023 4.389 7.158 1.00 0.00 N ATOM 58 CA GLY A 5 -8.867 3.254 7.477 1.00 0.00 C ATOM 59 C GLY A 5 -8.062 2.082 7.992 1.00 0.00 C ATOM 60 O GLY A 5 -6.908 1.899 7.604 1.00 0.00 O ATOM 0 H GLY A 5 -7.055 4.152 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.602 3.547 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.421 2.952 6.588 1.00 0.00 H new ATOM 64 N ALA A 6 -8.660 1.287 8.872 1.00 0.00 N ATOM 65 CA ALA A 6 -7.968 0.137 9.433 1.00 0.00 C ATOM 66 C ALA A 6 -7.618 -0.878 8.356 1.00 0.00 C ATOM 67 O ALA A 6 -8.421 -1.165 7.469 1.00 0.00 O ATOM 68 CB ALA A 6 -8.799 -0.521 10.518 1.00 0.00 C ATOM 0 H ALA A 6 -9.614 1.417 9.209 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.040 0.500 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.259 -1.378 10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.989 0.196 11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.748 -0.855 10.098 1.00 0.00 H new ATOM 74 N ALA A 7 -6.411 -1.418 8.446 1.00 0.00 N ATOM 75 CA ALA A 7 -5.942 -2.404 7.484 1.00 0.00 C ATOM 76 C ALA A 7 -4.903 -3.341 8.096 1.00 0.00 C ATOM 77 O ALA A 7 -4.122 -2.937 8.957 1.00 0.00 O ATOM 78 CB ALA A 7 -5.366 -1.709 6.262 1.00 0.00 C ATOM 0 H ALA A 7 -5.738 -1.189 9.177 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.798 -3.009 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.018 -2.456 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.136 -1.094 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.530 -1.078 6.563 1.00 0.00 H new ATOM 84 N ILE A 8 -4.896 -4.595 7.644 1.00 0.00 N ATOM 85 CA ILE A 8 -3.948 -5.583 8.145 1.00 0.00 C ATOM 86 C ILE A 8 -2.739 -5.702 7.234 1.00 0.00 C ATOM 87 O ILE A 8 -2.855 -5.642 6.010 1.00 0.00 O ATOM 88 CB ILE A 8 -4.585 -6.979 8.250 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.905 -6.916 9.000 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.640 -7.966 8.925 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.735 -8.150 8.783 1.00 0.00 C ATOM 0 H ILE A 8 -5.536 -4.948 6.933 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.645 -5.235 9.133 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.778 -7.331 7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.711 -6.792 10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.466 -6.040 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.118 -8.944 8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.721 -8.046 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.404 -7.615 9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.669 -8.062 9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.952 -8.260 7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.186 -9.024 9.134 1.00 0.00 H new ATOM 103 N PHE A 9 -1.583 -5.902 7.844 1.00 0.00 N ATOM 104 CA PHE A 9 -0.346 -6.067 7.102 1.00 0.00 C ATOM 105 C PHE A 9 0.558 -7.061 7.818 1.00 0.00 C ATOM 106 O PHE A 9 1.137 -6.750 8.858 1.00 0.00 O ATOM 107 CB PHE A 9 0.359 -4.724 6.925 1.00 0.00 C ATOM 108 CG PHE A 9 1.651 -4.821 6.165 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.679 -5.360 4.888 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.834 -4.373 6.725 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.865 -5.451 4.186 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.025 -4.461 6.029 1.00 0.00 C ATOM 113 CZ PHE A 9 4.040 -5.001 4.757 1.00 0.00 C ATOM 0 H PHE A 9 -1.476 -5.954 8.857 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.579 -6.457 6.111 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.309 -4.038 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.556 -4.294 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.763 -5.713 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.827 -3.949 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.874 -5.873 3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.942 -4.109 6.478 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.969 -5.071 4.210 1.00 0.00 H new ATOM 123 N GLU A 10 0.663 -8.263 7.256 1.00 0.00 N ATOM 124 CA GLU A 10 1.480 -9.325 7.829 1.00 0.00 C ATOM 125 C GLU A 10 0.772 -9.993 9.008 1.00 0.00 C ATOM 126 O GLU A 10 1.359 -10.175 10.076 1.00 0.00 O ATOM 127 CB GLU A 10 2.842 -8.783 8.268 1.00 0.00 C ATOM 128 CG GLU A 10 3.534 -7.946 7.206 1.00 0.00 C ATOM 129 CD GLU A 10 4.927 -7.512 7.624 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.036 -6.570 8.437 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.907 -8.115 7.139 1.00 0.00 O ATOM 0 H GLU A 10 0.185 -8.526 6.394 1.00 0.00 H new ATOM 0 HA GLU A 10 1.636 -10.077 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.711 -8.180 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.487 -9.619 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.598 -8.519 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.931 -7.064 6.993 1.00 0.00 H new ATOM 138 N LYS A 11 -0.488 -10.382 8.799 1.00 0.00 N ATOM 139 CA LYS A 11 -1.270 -11.055 9.820 1.00 0.00 C ATOM 140 C LYS A 11 -1.490 -10.191 11.061 1.00 0.00 C ATOM 141 O LYS A 11 -1.943 -10.688 12.092 1.00 0.00 O ATOM 142 CB LYS A 11 -0.586 -12.359 10.188 1.00 0.00 C ATOM 143 CG LYS A 11 -0.917 -13.491 9.234 1.00 0.00 C ATOM 144 CD LYS A 11 0.030 -14.667 9.409 1.00 0.00 C ATOM 145 CE LYS A 11 -0.283 -15.786 8.429 1.00 0.00 C ATOM 146 NZ LYS A 11 -1.199 -16.801 9.020 1.00 0.00 N ATOM 0 H LYS A 11 -0.986 -10.237 7.921 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.260 -11.254 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.493 -12.206 10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.880 -12.645 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.942 -13.821 9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.863 -13.129 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.057 -14.333 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.042 -15.045 10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.737 -15.366 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.644 -16.269 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.388 -17.547 8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.756 -17.220 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.094 -16.345 9.291 1.00 0.00 H new ATOM 160 N VAL A 12 -1.203 -8.898 10.956 1.00 0.00 N ATOM 161 CA VAL A 12 -1.407 -7.987 12.059 1.00 0.00 C ATOM 162 C VAL A 12 -2.304 -6.847 11.602 1.00 0.00 C ATOM 163 O VAL A 12 -2.166 -6.358 10.483 1.00 0.00 O ATOM 164 CB VAL A 12 -0.078 -7.432 12.605 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.327 -6.450 13.742 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.824 -8.567 13.064 1.00 0.00 C ATOM 0 H VAL A 12 -0.828 -8.463 10.113 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.882 -8.536 12.872 1.00 0.00 H new ATOM 0 HB VAL A 12 0.425 -6.896 11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.626 -6.072 14.111 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.931 -5.619 13.379 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.854 -6.956 14.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.759 -8.157 13.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.326 -9.132 13.852 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.035 -9.227 12.223 1.00 0.00 H new ATOM 176 N SER A 13 -3.242 -6.447 12.448 1.00 0.00 N ATOM 177 CA SER A 13 -4.169 -5.384 12.088 1.00 0.00 C ATOM 178 C SER A 13 -3.797 -4.065 12.745 1.00 0.00 C ATOM 179 O SER A 13 -3.321 -4.024 13.880 1.00 0.00 O ATOM 180 CB SER A 13 -5.598 -5.772 12.471 1.00 0.00 C ATOM 181 OG SER A 13 -6.532 -4.827 11.980 1.00 0.00 O ATOM 0 H SER A 13 -3.381 -6.838 13.380 1.00 0.00 H new ATOM 0 HA SER A 13 -4.108 -5.249 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.830 -6.759 12.071 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.681 -5.840 13.556 1.00 0.00 H new ATOM 0 HG SER A 13 -7.438 -5.099 12.237 1.00 0.00 H new ATOM 187 N GLY A 14 -4.029 -2.987 12.011 1.00 0.00 N ATOM 188 CA GLY A 14 -3.732 -1.660 12.503 1.00 0.00 C ATOM 189 C GLY A 14 -4.404 -0.594 11.662 1.00 0.00 C ATOM 190 O GLY A 14 -5.100 -0.910 10.698 1.00 0.00 O ATOM 0 H GLY A 14 -4.423 -3.011 11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.063 -1.572 13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.654 -1.502 12.499 1.00 0.00 H new ATOM 194 N ILE A 15 -4.200 0.665 12.019 1.00 0.00 N ATOM 195 CA ILE A 15 -4.802 1.763 11.276 1.00 0.00 C ATOM 196 C ILE A 15 -3.870 2.259 10.178 1.00 0.00 C ATOM 197 O ILE A 15 -2.703 2.563 10.421 1.00 0.00 O ATOM 198 CB ILE A 15 -5.192 2.924 12.211 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.277 2.443 13.188 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.657 4.134 11.406 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.581 3.212 13.111 1.00 0.00 C ATOM 0 H ILE A 15 -3.627 0.951 12.813 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.710 1.381 10.810 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.320 3.239 12.785 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.480 1.389 12.995 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.889 2.512 14.204 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.927 4.942 12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.852 4.466 10.750 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.524 3.860 10.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.287 2.804 13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.398 4.263 13.335 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.997 3.123 12.108 1.00 0.00 H new ATOM 213 N ILE A 16 -4.404 2.320 8.965 1.00 0.00 N ATOM 214 CA ILE A 16 -3.644 2.759 7.808 1.00 0.00 C ATOM 215 C ILE A 16 -3.992 4.202 7.451 1.00 0.00 C ATOM 216 O ILE A 16 -5.137 4.514 7.126 1.00 0.00 O ATOM 217 CB ILE A 16 -3.923 1.823 6.602 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.750 0.862 6.400 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.199 2.615 5.326 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.849 0.022 5.141 1.00 0.00 C ATOM 0 H ILE A 16 -5.371 2.068 8.759 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.583 2.714 8.052 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.820 1.245 6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.824 1.437 6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.685 0.199 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.390 1.925 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.071 3.252 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.334 3.234 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.980 -0.632 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.756 -0.582 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.882 0.676 4.269 1.00 0.00 H new ATOM 232 N ALA A 17 -2.993 5.077 7.509 1.00 0.00 N ATOM 233 CA ALA A 17 -3.192 6.483 7.188 1.00 0.00 C ATOM 234 C ALA A 17 -2.470 6.846 5.897 1.00 0.00 C ATOM 235 O ALA A 17 -1.377 6.349 5.626 1.00 0.00 O ATOM 236 CB ALA A 17 -2.710 7.364 8.330 1.00 0.00 C ATOM 0 H ALA A 17 -2.038 4.836 7.775 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.259 6.653 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.867 8.412 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.269 7.125 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.648 7.188 8.503 1.00 0.00 H new ATOM 242 N ILE A 18 -3.085 7.712 5.102 1.00 0.00 N ATOM 243 CA ILE A 18 -2.502 8.135 3.843 1.00 0.00 C ATOM 244 C ILE A 18 -1.961 9.560 3.950 1.00 0.00 C ATOM 245 O ILE A 18 -2.713 10.503 4.195 1.00 0.00 O ATOM 246 CB ILE A 18 -3.541 8.035 2.701 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.394 6.699 1.972 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.408 9.194 1.725 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.638 6.282 1.218 1.00 0.00 C ATOM 0 H ILE A 18 -3.990 8.134 5.311 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.671 7.469 3.612 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.536 8.090 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.560 6.766 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.141 5.925 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.153 9.092 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.565 10.134 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.411 9.187 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.461 5.326 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.470 6.183 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.880 7.037 0.470 1.00 0.00 H new ATOM 261 N ASN A 19 -0.655 9.705 3.763 1.00 0.00 N ATOM 262 CA ASN A 19 -0.015 11.011 3.837 1.00 0.00 C ATOM 263 C ASN A 19 0.427 11.478 2.456 1.00 0.00 C ATOM 264 O ASN A 19 1.368 10.935 1.876 1.00 0.00 O ATOM 265 CB ASN A 19 1.189 10.961 4.780 1.00 0.00 C ATOM 266 CG ASN A 19 0.790 10.662 6.212 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.374 10.813 6.588 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.754 10.237 7.019 1.00 0.00 N ATOM 0 H ASN A 19 -0.019 8.934 3.559 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.743 11.722 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.887 10.199 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.715 11.915 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.545 10.021 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.704 10.126 6.665 1.00 0.00 H new ATOM 275 N GLU A 20 -0.255 12.491 1.936 1.00 0.00 N ATOM 276 CA GLU A 20 0.068 13.039 0.625 1.00 0.00 C ATOM 277 C GLU A 20 0.640 14.450 0.747 1.00 0.00 C ATOM 278 O GLU A 20 1.066 15.043 -0.244 1.00 0.00 O ATOM 279 CB GLU A 20 -1.173 13.051 -0.268 1.00 0.00 C ATOM 280 CG GLU A 20 -2.334 13.844 0.312 1.00 0.00 C ATOM 281 CD GLU A 20 -2.601 15.130 -0.446 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.698 15.584 -1.180 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.713 15.682 -0.306 1.00 0.00 O ATOM 0 H GLU A 20 -1.037 12.950 2.403 1.00 0.00 H new ATOM 0 HA GLU A 20 0.825 12.400 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.907 13.469 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.496 12.024 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.232 13.227 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.123 14.079 1.355 1.00 0.00 H new ATOM 290 N ASP A 21 0.648 14.981 1.967 1.00 0.00 N ATOM 291 CA ASP A 21 1.167 16.319 2.214 1.00 0.00 C ATOM 292 C ASP A 21 2.650 16.406 1.875 1.00 0.00 C ATOM 293 O ASP A 21 3.184 17.496 1.672 1.00 0.00 O ATOM 294 CB ASP A 21 0.944 16.711 3.675 1.00 0.00 C ATOM 295 CG ASP A 21 1.253 18.172 3.937 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.370 18.940 2.958 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.379 18.549 5.121 1.00 0.00 O ATOM 0 H ASP A 21 0.300 14.503 2.799 1.00 0.00 H new ATOM 0 HA ASP A 21 0.628 17.012 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.091 16.507 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.571 16.090 4.314 1.00 0.00 H new ATOM 302 N VAL A 22 3.313 15.257 1.816 1.00 0.00 N ATOM 303 CA VAL A 22 4.729 15.218 1.504 1.00 0.00 C ATOM 304 C VAL A 22 4.950 14.932 0.021 1.00 0.00 C ATOM 305 O VAL A 22 4.042 15.087 -0.794 1.00 0.00 O ATOM 306 CB VAL A 22 5.468 14.175 2.378 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.442 12.791 1.745 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.897 14.622 2.659 1.00 0.00 C ATOM 0 H VAL A 22 2.890 14.344 1.980 1.00 0.00 H new ATOM 0 HA VAL A 22 5.146 16.199 1.730 1.00 0.00 H new ATOM 0 HB VAL A 22 4.938 14.106 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.970 12.087 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.409 12.466 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.928 12.828 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.398 13.875 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.434 14.736 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.883 15.576 3.186 1.00 0.00 H new ATOM 318 N SER A 23 6.160 14.511 -0.319 1.00 0.00 N ATOM 319 CA SER A 23 6.500 14.203 -1.701 1.00 0.00 C ATOM 320 C SER A 23 7.807 13.414 -1.775 1.00 0.00 C ATOM 321 O SER A 23 8.872 13.940 -1.452 1.00 0.00 O ATOM 322 CB SER A 23 6.619 15.489 -2.518 1.00 0.00 C ATOM 323 OG SER A 23 6.958 16.590 -1.692 1.00 0.00 O ATOM 0 H SER A 23 6.923 14.375 0.344 1.00 0.00 H new ATOM 0 HA SER A 23 5.701 13.590 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.377 15.363 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.676 15.689 -3.026 1.00 0.00 H new ATOM 0 HG SER A 23 7.030 17.400 -2.239 1.00 0.00 H new ATOM 329 N PRO A 24 7.750 12.137 -2.201 1.00 0.00 N ATOM 330 CA PRO A 24 6.504 11.469 -2.595 1.00 0.00 C ATOM 331 C PRO A 24 5.628 11.115 -1.397 1.00 0.00 C ATOM 332 O PRO A 24 6.127 10.882 -0.297 1.00 0.00 O ATOM 333 CB PRO A 24 6.993 10.198 -3.289 1.00 0.00 C ATOM 334 CG PRO A 24 8.307 9.907 -2.653 1.00 0.00 C ATOM 335 CD PRO A 24 8.917 11.244 -2.329 1.00 0.00 C ATOM 0 HA PRO A 24 5.881 12.106 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.293 9.375 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.097 10.348 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.180 9.308 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.949 9.338 -3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.496 11.207 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.593 11.578 -3.117 1.00 0.00 H new ATOM 343 N ALA A 25 4.317 11.069 -1.622 1.00 0.00 N ATOM 344 CA ALA A 25 3.367 10.735 -0.565 1.00 0.00 C ATOM 345 C ALA A 25 3.732 9.403 0.087 1.00 0.00 C ATOM 346 O ALA A 25 4.624 8.699 -0.387 1.00 0.00 O ATOM 347 CB ALA A 25 1.955 10.674 -1.129 1.00 0.00 C ATOM 0 H ALA A 25 3.889 11.259 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 25 3.411 11.514 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.255 10.424 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.691 11.642 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.906 9.912 -1.906 1.00 0.00 H new ATOM 353 N GLU A 26 3.045 9.062 1.172 1.00 0.00 N ATOM 354 CA GLU A 26 3.314 7.810 1.874 1.00 0.00 C ATOM 355 C GLU A 26 2.108 7.357 2.693 1.00 0.00 C ATOM 356 O GLU A 26 1.362 8.178 3.228 1.00 0.00 O ATOM 357 CB GLU A 26 4.530 7.967 2.790 1.00 0.00 C ATOM 358 CG GLU A 26 5.819 8.274 2.044 1.00 0.00 C ATOM 359 CD GLU A 26 7.031 8.300 2.955 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.845 8.313 4.190 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.166 8.305 2.434 1.00 0.00 O ATOM 0 H GLU A 26 2.303 9.629 1.583 1.00 0.00 H new ATOM 0 HA GLU A 26 3.520 7.048 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.335 8.766 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.662 7.050 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.971 7.526 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.724 9.238 1.545 1.00 0.00 H new ATOM 368 N LEU A 27 1.933 6.042 2.793 1.00 0.00 N ATOM 369 CA LEU A 27 0.828 5.468 3.554 1.00 0.00 C ATOM 370 C LEU A 27 1.345 4.809 4.829 1.00 0.00 C ATOM 371 O LEU A 27 2.078 3.821 4.776 1.00 0.00 O ATOM 372 CB LEU A 27 0.072 4.447 2.701 1.00 0.00 C ATOM 373 CG LEU A 27 -1.180 3.857 3.350 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.121 3.306 2.290 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.801 2.771 4.345 1.00 0.00 C ATOM 0 H LEU A 27 2.544 5.353 2.355 1.00 0.00 H new ATOM 0 HA LEU A 27 0.144 6.270 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.214 4.922 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.751 3.632 2.452 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.697 4.652 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.007 2.890 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.418 4.108 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.614 2.524 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.704 2.361 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.262 1.977 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.165 3.195 5.122 1.00 0.00 H new ATOM 387 N THR A 28 0.978 5.375 5.974 1.00 0.00 N ATOM 388 CA THR A 28 1.409 4.879 7.255 1.00 0.00 C ATOM 389 C THR A 28 0.483 3.785 7.781 1.00 0.00 C ATOM 390 O THR A 28 -0.724 3.807 7.543 1.00 0.00 O ATOM 391 CB THR A 28 1.438 6.047 8.227 1.00 0.00 C ATOM 392 OG1 THR A 28 1.342 7.281 7.534 1.00 0.00 O ATOM 393 CG2 THR A 28 2.688 6.094 9.056 1.00 0.00 C ATOM 0 H THR A 28 0.371 6.193 6.029 1.00 0.00 H new ATOM 0 HA THR A 28 2.399 4.436 7.150 1.00 0.00 H new ATOM 0 HB THR A 28 0.583 5.895 8.886 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.200 8.007 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.646 6.950 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.772 5.177 9.640 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.555 6.188 8.402 1.00 0.00 H new ATOM 401 N TRP A 29 1.063 2.836 8.509 1.00 0.00 N ATOM 402 CA TRP A 29 0.313 1.739 9.091 1.00 0.00 C ATOM 403 C TRP A 29 0.689 1.554 10.553 1.00 0.00 C ATOM 404 O TRP A 29 1.792 1.109 10.867 1.00 0.00 O ATOM 405 CB TRP A 29 0.580 0.436 8.342 1.00 0.00 C ATOM 406 CG TRP A 29 -0.171 -0.720 8.923 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.509 -0.771 9.160 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.364 -1.975 9.364 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.850 -1.987 9.699 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.716 -2.742 9.835 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.647 -2.531 9.399 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.555 -4.027 10.333 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.804 -3.814 9.897 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.705 -4.549 10.357 1.00 0.00 C ATOM 0 H TRP A 29 2.063 2.809 8.709 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.746 1.986 9.013 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.301 0.558 7.295 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.648 0.220 8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.204 0.030 8.954 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.793 -2.280 9.956 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.499 -1.970 9.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.401 -4.596 10.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.790 -4.254 9.931 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.858 -5.548 10.738 1.00 0.00 H new ATOM 425 N ARG A 30 -0.232 1.883 11.444 1.00 0.00 N ATOM 426 CA ARG A 30 0.016 1.730 12.870 1.00 0.00 C ATOM 427 C ARG A 30 -0.747 0.523 13.404 1.00 0.00 C ATOM 428 O ARG A 30 -1.955 0.412 13.207 1.00 0.00 O ATOM 429 CB ARG A 30 -0.398 2.994 13.627 1.00 0.00 C ATOM 430 CG ARG A 30 -0.050 2.959 15.105 1.00 0.00 C ATOM 431 CD ARG A 30 -0.530 4.211 15.821 1.00 0.00 C ATOM 432 NE ARG A 30 -0.102 4.242 17.217 1.00 0.00 N ATOM 433 CZ ARG A 30 1.124 4.582 17.609 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.044 4.921 16.714 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.432 4.584 18.899 1.00 0.00 N ATOM 0 H ARG A 30 -1.152 2.255 11.209 1.00 0.00 H new ATOM 0 HA ARG A 30 1.084 1.572 13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.086 3.857 13.169 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.473 3.137 13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.501 2.080 15.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.029 2.862 15.223 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.148 5.092 15.305 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.618 4.261 15.774 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.782 3.988 17.934 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.813 4.922 15.720 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.982 5.181 17.020 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.729 4.325 19.591 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.372 4.845 19.199 1.00 0.00 H new ATOM 449 N SER A 31 -0.041 -0.383 14.073 1.00 0.00 N ATOM 450 CA SER A 31 -0.668 -1.576 14.615 1.00 0.00 C ATOM 451 C SER A 31 -1.749 -1.211 15.620 1.00 0.00 C ATOM 452 O SER A 31 -1.768 -0.103 16.154 1.00 0.00 O ATOM 453 CB SER A 31 0.377 -2.479 15.271 1.00 0.00 C ATOM 454 OG SER A 31 0.991 -1.833 16.373 1.00 0.00 O ATOM 0 H SER A 31 0.961 -0.312 14.251 1.00 0.00 H new ATOM 0 HA SER A 31 -1.133 -2.117 13.791 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.095 -3.403 15.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.136 -2.754 14.538 1.00 0.00 H new ATOM 0 HG SER A 31 1.654 -2.432 16.776 1.00 0.00 H new ATOM 460 N THR A 32 -2.640 -2.156 15.880 1.00 0.00 N ATOM 461 CA THR A 32 -3.716 -1.956 16.823 1.00 0.00 C ATOM 462 C THR A 32 -3.151 -1.674 18.206 1.00 0.00 C ATOM 463 O THR A 32 -3.739 -0.945 19.004 1.00 0.00 O ATOM 464 CB THR A 32 -4.578 -3.213 16.836 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.616 -3.127 15.877 1.00 0.00 O ATOM 466 CG2 THR A 32 -5.205 -3.508 18.170 1.00 0.00 C ATOM 0 H THR A 32 -2.633 -3.077 15.442 1.00 0.00 H new ATOM 0 HA THR A 32 -4.323 -1.099 16.531 1.00 0.00 H new ATOM 0 HB THR A 32 -3.890 -4.024 16.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.258 -3.331 14.988 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.802 -4.417 18.098 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.423 -3.646 18.917 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.845 -2.676 18.463 1.00 0.00 H new ATOM 474 N ASP A 33 -2.001 -2.272 18.474 1.00 0.00 N ATOM 475 CA ASP A 33 -1.331 -2.112 19.756 1.00 0.00 C ATOM 476 C ASP A 33 -0.765 -0.707 19.904 1.00 0.00 C ATOM 477 O ASP A 33 -0.718 -0.153 21.002 1.00 0.00 O ATOM 478 CB ASP A 33 -0.213 -3.145 19.905 1.00 0.00 C ATOM 479 CG ASP A 33 0.284 -3.258 21.333 1.00 0.00 C ATOM 480 OD1 ASP A 33 -0.309 -4.037 22.107 1.00 0.00 O ATOM 481 OD2 ASP A 33 1.264 -2.566 21.677 1.00 0.00 O ATOM 0 H ASP A 33 -1.509 -2.877 17.816 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.068 -2.270 20.543 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.574 -4.118 19.571 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.618 -2.873 19.254 1.00 0.00 H new ATOM 486 N GLY A 34 -0.335 -0.141 18.788 1.00 0.00 N ATOM 487 CA GLY A 34 0.231 1.193 18.798 1.00 0.00 C ATOM 488 C GLY A 34 1.702 1.187 19.151 1.00 0.00 C ATOM 489 O GLY A 34 2.236 2.180 19.643 1.00 0.00 O ATOM 0 H GLY A 34 -0.368 -0.584 17.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.096 1.650 17.818 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.310 1.810 19.515 1.00 0.00 H new ATOM 493 N ASP A 35 2.356 0.060 18.900 1.00 0.00 N ATOM 494 CA ASP A 35 3.775 -0.082 19.194 1.00 0.00 C ATOM 495 C ASP A 35 4.593 -0.240 17.915 1.00 0.00 C ATOM 496 O ASP A 35 5.806 -0.024 17.913 1.00 0.00 O ATOM 497 CB ASP A 35 4.011 -1.280 20.116 1.00 0.00 C ATOM 498 CG ASP A 35 3.533 -1.028 21.533 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.108 0.111 21.823 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.583 -1.967 22.352 1.00 0.00 O ATOM 0 H ASP A 35 1.925 -0.770 18.493 1.00 0.00 H new ATOM 0 HA ASP A 35 4.103 0.827 19.698 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.496 -2.152 19.712 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.075 -1.518 20.132 1.00 0.00 H new ATOM 505 N LYS A 36 3.927 -0.618 16.829 1.00 0.00 N ATOM 506 CA LYS A 36 4.598 -0.800 15.547 1.00 0.00 C ATOM 507 C LYS A 36 3.948 0.059 14.470 1.00 0.00 C ATOM 508 O LYS A 36 2.735 0.007 14.267 1.00 0.00 O ATOM 509 CB LYS A 36 4.566 -2.274 15.136 1.00 0.00 C ATOM 510 CG LYS A 36 5.907 -2.974 15.285 1.00 0.00 C ATOM 511 CD LYS A 36 5.799 -4.459 14.971 1.00 0.00 C ATOM 512 CE LYS A 36 5.527 -4.697 13.494 1.00 0.00 C ATOM 513 NZ LYS A 36 5.346 -6.144 13.189 1.00 0.00 N ATOM 0 H LYS A 36 2.924 -0.804 16.811 1.00 0.00 H new ATOM 0 HA LYS A 36 5.636 -0.486 15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.824 -2.795 15.740 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.240 -2.347 14.098 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.636 -2.512 14.619 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.276 -2.842 16.302 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.723 -4.961 15.257 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.999 -4.901 15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.633 -4.149 13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.354 -4.302 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.163 -6.264 12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.208 -6.664 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.541 -6.515 13.732 1.00 0.00 H new ATOM 527 N VAL A 37 4.764 0.848 13.781 1.00 0.00 N ATOM 528 CA VAL A 37 4.269 1.718 12.724 1.00 0.00 C ATOM 529 C VAL A 37 5.050 1.514 11.431 1.00 0.00 C ATOM 530 O VAL A 37 6.268 1.690 11.394 1.00 0.00 O ATOM 531 CB VAL A 37 4.356 3.202 13.132 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.664 4.083 12.102 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.753 3.411 14.513 1.00 0.00 C ATOM 0 H VAL A 37 5.771 0.902 13.936 1.00 0.00 H new ATOM 0 HA VAL A 37 3.225 1.452 12.560 1.00 0.00 H new ATOM 0 HB VAL A 37 5.407 3.487 13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.736 5.127 12.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.145 3.955 11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.614 3.799 12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.823 4.464 14.785 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.706 3.108 14.503 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.297 2.811 15.242 1.00 0.00 H new ATOM 543 N HIS A 38 4.339 1.144 10.372 1.00 0.00 N ATOM 544 CA HIS A 38 4.966 0.917 9.072 1.00 0.00 C ATOM 545 C HIS A 38 4.596 2.014 8.088 1.00 0.00 C ATOM 546 O HIS A 38 3.470 2.500 8.070 1.00 0.00 O ATOM 547 CB HIS A 38 4.568 -0.439 8.498 1.00 0.00 C ATOM 548 CG HIS A 38 5.129 -0.709 7.133 1.00 0.00 C ATOM 549 ND1 HIS A 38 4.957 -0.054 5.961 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 5.970 -1.768 6.859 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 5.690 -0.723 5.010 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 6.290 -1.752 5.577 1.00 0.00 N flip ATOM 0 H HIS A 38 3.330 0.995 10.386 1.00 0.00 H new ATOM 0 HA HIS A 38 6.045 0.930 9.227 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.901 -1.223 9.179 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.481 -0.498 8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.313 -2.496 7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.763 -0.450 3.968 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.898 -2.422 5.106 1.00 0.00 H new ATOM 561 N THR A 39 5.558 2.390 7.271 1.00 0.00 N ATOM 562 CA THR A 39 5.350 3.429 6.269 1.00 0.00 C ATOM 563 C THR A 39 5.480 2.856 4.862 1.00 0.00 C ATOM 564 O THR A 39 6.439 2.149 4.553 1.00 0.00 O ATOM 565 CB THR A 39 6.350 4.568 6.466 1.00 0.00 C ATOM 566 OG1 THR A 39 6.433 4.932 7.833 1.00 0.00 O ATOM 567 CG2 THR A 39 5.999 5.814 5.682 1.00 0.00 C ATOM 0 H THR A 39 6.498 1.993 7.277 1.00 0.00 H new ATOM 0 HA THR A 39 4.341 3.822 6.391 1.00 0.00 H new ATOM 0 HB THR A 39 7.302 4.183 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.079 5.661 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.749 6.583 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.974 5.579 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.021 6.178 5.996 1.00 0.00 H new ATOM 575 N VAL A 40 4.505 3.163 4.013 1.00 0.00 N ATOM 576 CA VAL A 40 4.504 2.676 2.639 1.00 0.00 C ATOM 577 C VAL A 40 4.645 3.824 1.646 1.00 0.00 C ATOM 578 O VAL A 40 4.053 4.889 1.825 1.00 0.00 O ATOM 579 CB VAL A 40 3.212 1.899 2.323 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.292 1.253 0.950 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.941 0.855 3.396 1.00 0.00 C ATOM 0 H VAL A 40 3.704 3.748 4.253 1.00 0.00 H new ATOM 0 HA VAL A 40 5.359 2.008 2.540 1.00 0.00 H new ATOM 0 HB VAL A 40 2.382 2.605 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.369 0.710 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.432 2.024 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.133 0.561 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.024 0.316 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.774 0.153 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.830 1.347 4.362 1.00 0.00 H new ATOM 591 N VAL A 41 5.428 3.601 0.597 1.00 0.00 N ATOM 592 CA VAL A 41 5.640 4.615 -0.427 1.00 0.00 C ATOM 593 C VAL A 41 4.660 4.432 -1.581 1.00 0.00 C ATOM 594 O VAL A 41 4.642 3.389 -2.233 1.00 0.00 O ATOM 595 CB VAL A 41 7.079 4.571 -0.975 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.333 5.748 -1.905 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.084 4.556 0.166 1.00 0.00 C ATOM 0 H VAL A 41 5.927 2.726 0.434 1.00 0.00 H new ATOM 0 HA VAL A 41 5.473 5.584 0.043 1.00 0.00 H new ATOM 0 HB VAL A 41 7.202 3.652 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.355 5.700 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.635 5.708 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.192 6.681 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.095 4.525 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.963 5.456 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.915 3.677 0.788 1.00 0.00 H new ATOM 607 N LEU A 42 3.842 5.452 -1.820 1.00 0.00 N ATOM 608 CA LEU A 42 2.852 5.403 -2.889 1.00 0.00 C ATOM 609 C LEU A 42 3.463 5.778 -4.240 1.00 0.00 C ATOM 610 O LEU A 42 2.840 5.584 -5.284 1.00 0.00 O ATOM 611 CB LEU A 42 1.682 6.337 -2.567 1.00 0.00 C ATOM 612 CG LEU A 42 1.129 6.215 -1.145 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.111 7.081 -0.980 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.816 4.763 -0.815 1.00 0.00 C ATOM 0 H LEU A 42 3.845 6.322 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 42 2.489 4.378 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.003 7.366 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.875 6.140 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 42 1.890 6.567 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.491 6.982 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.145 8.123 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.876 6.759 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.424 4.697 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.073 4.382 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.726 4.168 -0.892 1.00 0.00 H new ATOM 626 N SER A 43 4.680 6.313 -4.217 1.00 0.00 N ATOM 627 CA SER A 43 5.362 6.707 -5.443 1.00 0.00 C ATOM 628 C SER A 43 5.994 5.497 -6.120 1.00 0.00 C ATOM 629 O SER A 43 6.189 5.486 -7.336 1.00 0.00 O ATOM 630 CB SER A 43 6.434 7.756 -5.143 1.00 0.00 C ATOM 631 OG SER A 43 7.343 7.882 -6.223 1.00 0.00 O ATOM 0 H SER A 43 5.213 6.483 -3.364 1.00 0.00 H new ATOM 0 HA SER A 43 4.624 7.139 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.961 8.718 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.976 7.478 -4.239 1.00 0.00 H new ATOM 0 HG SER A 43 8.017 8.560 -6.006 1.00 0.00 H new ATOM 637 N THR A 44 6.315 4.479 -5.326 1.00 0.00 N ATOM 638 CA THR A 44 6.924 3.268 -5.853 1.00 0.00 C ATOM 639 C THR A 44 5.871 2.194 -6.122 1.00 0.00 C ATOM 640 O THR A 44 6.191 1.007 -6.197 1.00 0.00 O ATOM 641 CB THR A 44 7.978 2.737 -4.882 1.00 0.00 C ATOM 642 OG1 THR A 44 8.700 1.663 -5.461 1.00 0.00 O ATOM 643 CG2 THR A 44 7.395 2.244 -3.574 1.00 0.00 C ATOM 0 H THR A 44 6.163 4.471 -4.317 1.00 0.00 H new ATOM 0 HA THR A 44 7.405 3.518 -6.798 1.00 0.00 H new ATOM 0 HB THR A 44 8.630 3.585 -4.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.080 1.068 -5.932 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.197 1.881 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.874 3.062 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.693 1.433 -3.771 1.00 0.00 H new ATOM 651 N ILE A 45 4.618 2.615 -6.265 1.00 0.00 N ATOM 652 CA ILE A 45 3.524 1.687 -6.524 1.00 0.00 C ATOM 653 C ILE A 45 3.075 1.762 -7.978 1.00 0.00 C ATOM 654 O ILE A 45 2.342 2.670 -8.368 1.00 0.00 O ATOM 655 CB ILE A 45 2.315 1.972 -5.612 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.765 2.089 -4.154 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.267 0.879 -5.763 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.510 0.872 -3.650 1.00 0.00 C ATOM 0 H ILE A 45 4.336 3.593 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 45 3.902 0.687 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 45 1.868 2.920 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.405 2.965 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.891 2.256 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.420 1.095 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.929 0.840 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.701 -0.082 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.798 1.026 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.866 -0.004 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.404 0.716 -4.254 1.00 0.00 H new ATOM 670 N ASP A 46 3.518 0.796 -8.777 1.00 0.00 N ATOM 671 CA ASP A 46 3.162 0.748 -10.188 1.00 0.00 C ATOM 672 C ASP A 46 1.652 0.618 -10.362 1.00 0.00 C ATOM 673 O ASP A 46 1.099 1.029 -11.382 1.00 0.00 O ATOM 674 CB ASP A 46 3.866 -0.421 -10.876 1.00 0.00 C ATOM 675 CG ASP A 46 3.704 -0.390 -12.384 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.298 0.664 -12.916 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.982 -1.420 -13.032 1.00 0.00 O ATOM 0 H ASP A 46 4.125 0.036 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 46 3.487 1.680 -10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.927 -0.399 -10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.467 -1.359 -10.490 1.00 0.00 H new ATOM 682 N LYS A 47 0.991 0.042 -9.363 1.00 0.00 N ATOM 683 CA LYS A 47 -0.454 -0.143 -9.417 1.00 0.00 C ATOM 684 C LYS A 47 -0.995 -0.635 -8.075 1.00 0.00 C ATOM 685 O LYS A 47 -0.235 -1.079 -7.213 1.00 0.00 O ATOM 686 CB LYS A 47 -0.813 -1.122 -10.546 1.00 0.00 C ATOM 687 CG LYS A 47 -1.224 -2.510 -10.074 1.00 0.00 C ATOM 688 CD LYS A 47 -1.597 -3.407 -11.244 1.00 0.00 C ATOM 689 CE LYS A 47 -0.374 -3.803 -12.055 1.00 0.00 C ATOM 690 NZ LYS A 47 0.148 -5.140 -11.657 1.00 0.00 N ATOM 0 H LYS A 47 1.431 -0.303 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.921 0.820 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.627 -0.696 -11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.044 -1.218 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.406 -2.962 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.071 -2.428 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.094 -4.303 -10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.310 -2.890 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.629 -3.814 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.407 -3.054 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.820 -5.478 -12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.631 -5.065 -10.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.642 -5.812 -11.579 1.00 0.00 H new ATOM 704 N LEU A 48 -2.311 -0.557 -7.909 1.00 0.00 N ATOM 705 CA LEU A 48 -2.955 -0.998 -6.678 1.00 0.00 C ATOM 706 C LEU A 48 -4.169 -1.869 -6.986 1.00 0.00 C ATOM 707 O LEU A 48 -5.139 -1.407 -7.589 1.00 0.00 O ATOM 708 CB LEU A 48 -3.371 0.206 -5.832 1.00 0.00 C ATOM 709 CG LEU A 48 -4.531 1.029 -6.401 1.00 0.00 C ATOM 710 CD1 LEU A 48 -5.854 0.558 -5.820 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.320 2.511 -6.121 1.00 0.00 C ATOM 0 H LEU A 48 -2.953 -0.192 -8.613 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.238 -1.593 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.648 -0.146 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.508 0.860 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.560 0.884 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.667 1.154 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.009 -0.491 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.837 0.673 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.153 3.081 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.265 2.674 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.391 2.840 -6.586 1.00 0.00 H new ATOM 723 N GLN A 49 -4.111 -3.129 -6.570 1.00 0.00 N ATOM 724 CA GLN A 49 -5.207 -4.063 -6.803 1.00 0.00 C ATOM 725 C GLN A 49 -5.905 -4.422 -5.496 1.00 0.00 C ATOM 726 O GLN A 49 -5.307 -4.353 -4.422 1.00 0.00 O ATOM 727 CB GLN A 49 -4.688 -5.332 -7.483 1.00 0.00 C ATOM 728 CG GLN A 49 -4.106 -5.086 -8.865 1.00 0.00 C ATOM 729 CD GLN A 49 -3.564 -6.351 -9.502 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.308 -7.342 -8.819 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.387 -6.321 -10.818 1.00 0.00 N ATOM 0 H GLN A 49 -3.317 -3.528 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.931 -3.578 -7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.924 -5.786 -6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.504 -6.051 -7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.875 -4.660 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.307 -4.348 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.613 -5.477 -11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.025 -7.142 -11.303 1.00 0.00 H new ATOM 740 N ALA A 50 -7.174 -4.805 -5.593 1.00 0.00 N ATOM 741 CA ALA A 50 -7.953 -5.175 -4.418 1.00 0.00 C ATOM 742 C ALA A 50 -8.868 -6.357 -4.714 1.00 0.00 C ATOM 743 O ALA A 50 -9.159 -6.656 -5.871 1.00 0.00 O ATOM 744 CB ALA A 50 -8.765 -3.985 -3.929 1.00 0.00 C ATOM 0 H ALA A 50 -7.684 -4.867 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.259 -5.476 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.342 -4.275 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.092 -3.168 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.443 -3.658 -4.718 1.00 0.00 H new ATOM 750 N THR A 51 -9.323 -7.023 -3.658 1.00 0.00 N ATOM 751 CA THR A 51 -10.209 -8.174 -3.803 1.00 0.00 C ATOM 752 C THR A 51 -11.594 -7.736 -4.275 1.00 0.00 C ATOM 753 O THR A 51 -12.048 -6.637 -3.959 1.00 0.00 O ATOM 754 CB THR A 51 -10.322 -8.926 -2.477 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.598 -8.033 -1.414 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.070 -9.696 -2.116 1.00 0.00 C ATOM 0 H THR A 51 -9.093 -6.786 -2.693 1.00 0.00 H new ATOM 0 HA THR A 51 -9.783 -8.840 -4.554 1.00 0.00 H new ATOM 0 HB THR A 51 -11.138 -9.635 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.553 -7.813 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.218 -10.206 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.858 -10.431 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.230 -9.006 -2.031 1.00 0.00 H new ATOM 764 N PRO A 52 -12.286 -8.597 -5.042 1.00 0.00 N ATOM 765 CA PRO A 52 -13.625 -8.294 -5.557 1.00 0.00 C ATOM 766 C PRO A 52 -14.681 -8.275 -4.456 1.00 0.00 C ATOM 767 O PRO A 52 -14.465 -8.806 -3.367 1.00 0.00 O ATOM 768 CB PRO A 52 -13.897 -9.438 -6.537 1.00 0.00 C ATOM 769 CG PRO A 52 -13.051 -10.563 -6.051 1.00 0.00 C ATOM 770 CD PRO A 52 -11.818 -9.931 -5.465 1.00 0.00 C ATOM 0 HA PRO A 52 -13.671 -7.304 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.952 -9.711 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.634 -9.157 -7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.580 -11.154 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.793 -11.238 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.432 -10.507 -4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.015 -9.861 -6.199 1.00 0.00 H new ATOM 778 N ALA A 53 -15.820 -7.657 -4.748 1.00 0.00 N ATOM 779 CA ALA A 53 -16.912 -7.566 -3.784 1.00 0.00 C ATOM 780 C ALA A 53 -17.556 -8.929 -3.536 1.00 0.00 C ATOM 781 O ALA A 53 -18.339 -9.091 -2.599 1.00 0.00 O ATOM 782 CB ALA A 53 -17.955 -6.568 -4.262 1.00 0.00 C ATOM 0 H ALA A 53 -16.012 -7.211 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.494 -7.219 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.764 -6.510 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.495 -5.586 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.355 -6.892 -5.223 1.00 0.00 H new ATOM 788 N SER A 54 -17.226 -9.906 -4.376 1.00 0.00 N ATOM 789 CA SER A 54 -17.780 -11.249 -4.240 1.00 0.00 C ATOM 790 C SER A 54 -16.907 -12.121 -3.337 1.00 0.00 C ATOM 791 O SER A 54 -17.218 -13.288 -3.100 1.00 0.00 O ATOM 792 CB SER A 54 -17.917 -11.906 -5.614 1.00 0.00 C ATOM 793 OG SER A 54 -18.887 -11.237 -6.404 1.00 0.00 O ATOM 0 H SER A 54 -16.579 -9.793 -5.156 1.00 0.00 H new ATOM 0 HA SER A 54 -18.765 -11.158 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.954 -11.892 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.199 -12.952 -5.494 1.00 0.00 H new ATOM 0 HG SER A 54 -18.955 -11.675 -7.278 1.00 0.00 H new ATOM 799 N SER A 55 -15.817 -11.551 -2.832 1.00 0.00 N ATOM 800 CA SER A 55 -14.909 -12.274 -1.957 1.00 0.00 C ATOM 801 C SER A 55 -15.092 -11.833 -0.514 1.00 0.00 C ATOM 802 O SER A 55 -14.806 -10.687 -0.164 1.00 0.00 O ATOM 803 CB SER A 55 -13.462 -12.048 -2.398 1.00 0.00 C ATOM 804 OG SER A 55 -12.902 -10.911 -1.763 1.00 0.00 O ATOM 0 H SER A 55 -15.543 -10.586 -3.017 1.00 0.00 H new ATOM 0 HA SER A 55 -15.138 -13.338 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.866 -12.929 -2.162 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.425 -11.918 -3.480 1.00 0.00 H new ATOM 0 HG SER A 55 -13.621 -10.315 -1.467 1.00 0.00 H new ATOM 810 N GLU A 56 -15.563 -12.748 0.323 1.00 0.00 N ATOM 811 CA GLU A 56 -15.773 -12.449 1.731 1.00 0.00 C ATOM 812 C GLU A 56 -14.472 -11.995 2.386 1.00 0.00 C ATOM 813 O GLU A 56 -14.483 -11.373 3.449 1.00 0.00 O ATOM 814 CB GLU A 56 -16.325 -13.675 2.459 1.00 0.00 C ATOM 815 CG GLU A 56 -17.690 -14.118 1.957 1.00 0.00 C ATOM 816 CD GLU A 56 -18.247 -15.292 2.738 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.484 -15.909 3.511 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.449 -15.596 2.576 1.00 0.00 O ATOM 0 H GLU A 56 -15.806 -13.701 0.051 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.499 -11.639 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.621 -14.500 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.393 -13.454 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.385 -13.281 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.615 -14.390 0.904 1.00 0.00 H new ATOM 825 N LYS A 57 -13.350 -12.310 1.743 1.00 0.00 N ATOM 826 CA LYS A 57 -12.042 -11.932 2.261 1.00 0.00 C ATOM 827 C LYS A 57 -11.558 -10.636 1.618 1.00 0.00 C ATOM 828 O LYS A 57 -11.119 -10.629 0.468 1.00 0.00 O ATOM 829 CB LYS A 57 -11.027 -13.050 2.009 1.00 0.00 C ATOM 830 CG LYS A 57 -11.435 -14.387 2.607 1.00 0.00 C ATOM 831 CD LYS A 57 -11.508 -14.322 4.125 1.00 0.00 C ATOM 832 CE LYS A 57 -12.947 -14.286 4.614 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.072 -13.585 5.922 1.00 0.00 N ATOM 0 H LYS A 57 -13.323 -12.826 0.863 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.136 -11.772 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.889 -13.169 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.063 -12.755 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.405 -14.684 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.719 -15.153 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.999 -15.186 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.981 -13.436 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.570 -13.785 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.323 -15.304 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.068 -13.582 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.498 -14.077 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.737 -12.605 5.824 1.00 0.00 H new ATOM 847 N MET A 58 -11.640 -9.543 2.368 1.00 0.00 N ATOM 848 CA MET A 58 -11.213 -8.240 1.871 1.00 0.00 C ATOM 849 C MET A 58 -9.701 -8.082 1.996 1.00 0.00 C ATOM 850 O MET A 58 -9.143 -8.198 3.087 1.00 0.00 O ATOM 851 CB MET A 58 -11.920 -7.123 2.637 1.00 0.00 C ATOM 852 CG MET A 58 -13.424 -7.324 2.754 1.00 0.00 C ATOM 853 SD MET A 58 -14.042 -7.002 4.418 1.00 0.00 S ATOM 854 CE MET A 58 -15.768 -7.438 4.227 1.00 0.00 C ATOM 0 H MET A 58 -11.998 -9.533 3.323 1.00 0.00 H new ATOM 0 HA MET A 58 -11.482 -8.173 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.492 -7.052 3.637 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.726 -6.173 2.139 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.930 -6.665 2.049 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.673 -8.346 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.392 -6.605 4.551 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.974 -7.659 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.991 -8.316 4.834 1.00 0.00 H new ATOM 864 N MET A 59 -9.043 -7.819 0.872 1.00 0.00 N ATOM 865 CA MET A 59 -7.596 -7.648 0.857 1.00 0.00 C ATOM 866 C MET A 59 -7.170 -6.691 -0.253 1.00 0.00 C ATOM 867 O MET A 59 -7.689 -6.750 -1.368 1.00 0.00 O ATOM 868 CB MET A 59 -6.905 -9.000 0.669 1.00 0.00 C ATOM 869 CG MET A 59 -7.241 -10.012 1.754 1.00 0.00 C ATOM 870 SD MET A 59 -6.320 -11.550 1.577 1.00 0.00 S ATOM 871 CE MET A 59 -7.040 -12.530 2.893 1.00 0.00 C ATOM 0 H MET A 59 -9.489 -7.720 -0.040 1.00 0.00 H new ATOM 0 HA MET A 59 -7.297 -7.222 1.815 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.188 -9.411 -0.300 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.826 -8.847 0.648 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.029 -9.576 2.730 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.309 -10.227 1.726 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.255 -13.091 3.400 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.536 -11.872 3.607 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.768 -13.224 2.473 1.00 0.00 H new ATOM 881 N LEU A 60 -6.221 -5.813 0.057 1.00 0.00 N ATOM 882 CA LEU A 60 -5.725 -4.850 -0.919 1.00 0.00 C ATOM 883 C LEU A 60 -4.257 -5.109 -1.237 1.00 0.00 C ATOM 884 O LEU A 60 -3.395 -5.021 -0.362 1.00 0.00 O ATOM 885 CB LEU A 60 -5.898 -3.424 -0.390 1.00 0.00 C ATOM 886 CG LEU A 60 -5.678 -2.319 -1.425 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.975 -2.003 -2.155 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.120 -1.070 -0.758 1.00 0.00 C ATOM 0 H LEU A 60 -5.781 -5.749 0.975 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.304 -4.965 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.904 -3.324 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.202 -3.272 0.435 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.952 -2.672 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.798 -1.215 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.333 -2.898 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.725 -1.670 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.969 -0.294 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.823 -0.715 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.168 -1.306 -0.283 1.00 0.00 H new ATOM 900 N ARG A 61 -3.979 -5.433 -2.496 1.00 0.00 N ATOM 901 CA ARG A 61 -2.614 -5.708 -2.931 1.00 0.00 C ATOM 902 C ARG A 61 -2.040 -4.525 -3.704 1.00 0.00 C ATOM 903 O ARG A 61 -2.731 -3.907 -4.515 1.00 0.00 O ATOM 904 CB ARG A 61 -2.580 -6.966 -3.801 1.00 0.00 C ATOM 905 CG ARG A 61 -1.174 -7.408 -4.176 1.00 0.00 C ATOM 906 CD ARG A 61 -1.193 -8.665 -5.031 1.00 0.00 C ATOM 907 NE ARG A 61 -1.746 -9.810 -4.311 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.043 -10.108 -4.269 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.930 -9.351 -4.902 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.455 -11.170 -3.589 1.00 0.00 N ATOM 0 H ARG A 61 -4.680 -5.512 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.001 -5.870 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.078 -7.778 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.150 -6.783 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.672 -6.606 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.596 -7.592 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.782 -8.483 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.179 -8.897 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.099 -10.418 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.620 -8.533 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.922 -9.587 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.779 -11.756 -3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.448 -11.400 -3.555 1.00 0.00 H new ATOM 924 N LEU A 62 -0.774 -4.216 -3.449 1.00 0.00 N ATOM 925 CA LEU A 62 -0.106 -3.106 -4.121 1.00 0.00 C ATOM 926 C LEU A 62 1.138 -3.589 -4.864 1.00 0.00 C ATOM 927 O LEU A 62 2.026 -4.200 -4.273 1.00 0.00 O ATOM 928 CB LEU A 62 0.273 -2.022 -3.107 1.00 0.00 C ATOM 929 CG LEU A 62 -0.431 -0.680 -3.304 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.905 -0.792 -2.949 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.240 0.400 -2.467 1.00 0.00 C ATOM 0 H LEU A 62 -0.189 -4.718 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.798 -2.683 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.050 -2.389 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.350 -1.861 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.353 -0.401 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.389 0.174 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.378 -1.536 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.006 -1.094 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.273 1.349 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.192 0.126 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.283 0.499 -2.769 1.00 0.00 H new ATOM 943 N ILE A 63 1.190 -3.310 -6.162 1.00 0.00 N ATOM 944 CA ILE A 63 2.324 -3.715 -6.984 1.00 0.00 C ATOM 945 C ILE A 63 3.256 -2.542 -7.256 1.00 0.00 C ATOM 946 O ILE A 63 2.819 -1.471 -7.677 1.00 0.00 O ATOM 947 CB ILE A 63 1.857 -4.312 -8.325 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.834 -5.420 -8.075 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.045 -4.848 -9.114 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.597 -4.931 -8.064 1.00 0.00 C ATOM 0 H ILE A 63 0.461 -2.806 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 63 2.865 -4.477 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 63 1.385 -3.526 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.942 -6.184 -8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.054 -5.897 -7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.696 -5.266 -10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.745 -4.037 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.545 -5.625 -8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.267 -5.771 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.722 -4.189 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.835 -4.480 -9.027 1.00 0.00 H new ATOM 962 N GLY A 64 4.544 -2.755 -7.013 1.00 0.00 N ATOM 963 CA GLY A 64 5.524 -1.709 -7.237 1.00 0.00 C ATOM 964 C GLY A 64 5.928 -1.597 -8.695 1.00 0.00 C ATOM 965 O GLY A 64 5.380 -2.287 -9.553 1.00 0.00 O ATOM 0 H GLY A 64 4.927 -3.634 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.116 -0.755 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.409 -1.908 -6.632 1.00 0.00 H new ATOM 1311 N ARG A 86 5.693 -6.391 -4.261 1.00 0.00 N ATOM 1312 CA ARG A 86 4.246 -6.323 -4.090 1.00 0.00 C ATOM 1313 C ARG A 86 3.871 -6.354 -2.613 1.00 0.00 C ATOM 1314 O ARG A 86 4.395 -7.159 -1.844 1.00 0.00 O ATOM 1315 CB ARG A 86 3.569 -7.482 -4.824 1.00 0.00 C ATOM 1316 CG ARG A 86 3.772 -7.451 -6.329 1.00 0.00 C ATOM 1317 CD ARG A 86 3.006 -8.569 -7.017 1.00 0.00 C ATOM 1318 NE ARG A 86 3.359 -8.687 -8.430 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.120 -9.770 -9.167 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.527 -10.829 -8.629 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.474 -9.793 -10.444 1.00 0.00 N ATOM 0 HA ARG A 86 3.899 -5.381 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.955 -8.423 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.500 -7.462 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.444 -6.489 -6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.834 -7.543 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.211 -9.513 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.936 -8.385 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 86 3.816 -7.893 -8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.252 -10.815 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.346 -11.656 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.929 -8.981 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.291 -10.622 -11.009 1.00 0.00 H new ATOM 1335 N HIS A 87 2.956 -5.472 -2.223 1.00 0.00 N ATOM 1336 CA HIS A 87 2.504 -5.397 -0.839 1.00 0.00 C ATOM 1337 C HIS A 87 1.072 -5.906 -0.711 1.00 0.00 C ATOM 1338 O HIS A 87 0.141 -5.314 -1.258 1.00 0.00 O ATOM 1339 CB HIS A 87 2.592 -3.959 -0.328 1.00 0.00 C ATOM 1340 CG HIS A 87 3.969 -3.559 0.105 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.308 -3.333 1.422 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.096 -3.343 -0.615 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.584 -2.994 1.495 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.084 -2.994 0.274 1.00 0.00 N ATOM 0 H HIS A 87 2.513 -4.798 -2.848 1.00 0.00 H new ATOM 0 HA HIS A 87 3.154 -6.029 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.256 -3.282 -1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.907 -3.838 0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.199 -3.429 -1.687 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.125 -2.758 2.400 1.00 0.00 H new ATOM 0 HE2 HIS A 87 7.049 -2.771 0.029 1.00 0.00 H new ATOM 1353 N MET A 88 0.902 -7.009 0.010 1.00 0.00 N ATOM 1354 CA MET A 88 -0.419 -7.595 0.204 1.00 0.00 C ATOM 1355 C MET A 88 -0.988 -7.215 1.567 1.00 0.00 C ATOM 1356 O MET A 88 -0.355 -7.435 2.599 1.00 0.00 O ATOM 1357 CB MET A 88 -0.348 -9.118 0.076 1.00 0.00 C ATOM 1358 CG MET A 88 0.104 -9.594 -1.295 1.00 0.00 C ATOM 1359 SD MET A 88 0.092 -11.391 -1.446 1.00 0.00 S ATOM 1360 CE MET A 88 0.911 -11.603 -3.024 1.00 0.00 C ATOM 0 H MET A 88 1.660 -7.514 0.469 1.00 0.00 H new ATOM 0 HA MET A 88 -1.080 -7.202 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.337 -9.506 0.830 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.330 -9.538 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.547 -9.165 -2.057 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.110 -9.224 -1.490 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.319 -12.266 -3.655 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.016 -10.634 -3.513 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.898 -12.038 -2.866 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.187 -6.639 1.562 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.841 -6.225 2.797 1.00 0.00 C ATOM 1372 C PHE A 89 -4.142 -6.990 3.015 1.00 0.00 C ATOM 1373 O PHE A 89 -4.698 -7.570 2.083 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.123 -4.724 2.768 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.886 -3.883 2.877 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.365 -3.555 4.117 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.243 -3.423 1.740 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.224 -2.781 4.222 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.102 -2.649 1.837 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.407 -2.328 3.080 1.00 0.00 C ATOM 0 H PHE A 89 -2.724 -6.449 0.716 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.168 -6.450 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.641 -4.477 1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.797 -4.473 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.855 -3.908 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.638 -3.672 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.173 -2.531 5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.390 -2.296 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.298 -1.723 3.159 1.00 0.00 H new ATOM 1390 N SER A 90 -4.623 -6.978 4.253 1.00 0.00 N ATOM 1391 CA SER A 90 -5.862 -7.665 4.600 1.00 0.00 C ATOM 1392 C SER A 90 -6.811 -6.718 5.327 1.00 0.00 C ATOM 1393 O SER A 90 -6.485 -6.196 6.393 1.00 0.00 O ATOM 1394 CB SER A 90 -5.569 -8.888 5.471 1.00 0.00 C ATOM 1395 OG SER A 90 -5.603 -10.079 4.705 1.00 0.00 O ATOM 0 H SER A 90 -4.174 -6.500 5.034 1.00 0.00 H new ATOM 0 HA SER A 90 -6.339 -7.998 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.590 -8.780 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.301 -8.949 6.276 1.00 0.00 H new ATOM 0 HG SER A 90 -5.411 -10.846 5.284 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.980 -6.489 4.739 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.964 -5.593 5.327 1.00 0.00 C ATOM 1403 C PHE A 91 -10.037 -6.358 6.087 1.00 0.00 C ATOM 1404 O PHE A 91 -10.539 -7.380 5.620 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.616 -4.743 4.241 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.818 -3.527 3.889 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.785 -3.606 2.973 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.100 -2.308 4.478 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.043 -2.488 2.649 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.362 -1.183 4.160 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.330 -1.275 3.242 1.00 0.00 C ATOM 0 H PHE A 91 -8.267 -6.912 3.856 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.441 -4.949 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.755 -5.351 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.607 -4.436 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.556 -4.553 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.905 -2.234 5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.239 -2.562 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.590 -0.236 4.626 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.750 -0.399 2.990 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.396 -5.839 7.252 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.426 -6.449 8.075 1.00 0.00 C ATOM 1423 C ASN A 92 -12.765 -5.748 7.860 1.00 0.00 C ATOM 1424 O ASN A 92 -13.722 -5.983 8.598 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.035 -6.389 9.553 1.00 0.00 C ATOM 1426 CG ASN A 92 -12.001 -7.151 10.438 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -12.817 -6.556 11.142 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -11.912 -8.476 10.409 1.00 0.00 N ATOM 0 H ASN A 92 -9.986 -4.993 7.649 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.526 -7.494 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.032 -6.798 9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.997 -5.348 9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.535 -9.042 10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.221 -8.928 9.810 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.829 -4.885 6.844 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.051 -4.157 6.542 1.00 0.00 C ATOM 1437 C ASN A 93 -14.095 -3.736 5.077 1.00 0.00 C ATOM 1438 O ASN A 93 -13.215 -3.025 4.598 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.175 -2.928 7.444 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.572 -2.339 7.429 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.411 -2.722 6.613 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.830 -1.403 8.335 1.00 0.00 N ATOM 0 H ASN A 93 -12.048 -4.677 6.221 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.892 -4.824 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.910 -3.202 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.461 -2.170 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.753 -0.971 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.105 -1.116 8.992 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.132 -4.180 4.373 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.296 -3.848 2.964 1.00 0.00 C ATOM 1451 C ARG A 94 -15.517 -2.351 2.784 1.00 0.00 C ATOM 1452 O ARG A 94 -15.186 -1.785 1.744 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.467 -4.628 2.363 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.817 -4.254 2.952 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.922 -5.161 2.432 1.00 0.00 C ATOM 1456 NE ARG A 94 -20.243 -4.728 2.882 1.00 0.00 N ATOM 1457 CZ ARG A 94 -20.706 -4.920 4.114 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.960 -5.537 5.023 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.920 -4.494 4.440 1.00 0.00 N ATOM 0 H ARG A 94 -15.870 -4.770 4.756 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.382 -4.128 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.491 -4.458 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.297 -5.694 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.772 -4.320 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.049 -3.218 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.897 -5.175 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.741 -6.182 2.768 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.846 -4.250 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.026 -5.867 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.321 -5.681 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -22.497 -4.020 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.275 -4.641 5.385 1.00 0.00 H new ATOM 1473 N THR A 95 -16.075 -1.711 3.806 1.00 0.00 N ATOM 1474 CA THR A 95 -16.327 -0.285 3.761 1.00 0.00 C ATOM 1475 C THR A 95 -15.024 0.480 3.928 1.00 0.00 C ATOM 1476 O THR A 95 -14.735 1.420 3.187 1.00 0.00 O ATOM 1477 CB THR A 95 -17.337 0.095 4.851 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.638 0.218 4.307 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.016 1.391 5.562 1.00 0.00 C ATOM 0 H THR A 95 -16.360 -2.163 4.675 1.00 0.00 H new ATOM 0 HA THR A 95 -16.751 -0.020 2.792 1.00 0.00 H new ATOM 0 HB THR A 95 -17.281 -0.715 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.268 0.459 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.776 1.590 6.317 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.040 1.311 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.000 2.208 4.840 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.242 0.056 4.904 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.957 0.678 5.181 1.00 0.00 C ATOM 1489 C VAL A 96 -11.979 0.412 4.046 1.00 0.00 C ATOM 1490 O VAL A 96 -11.123 1.241 3.740 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.351 0.172 6.505 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.048 0.896 6.815 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.346 0.338 7.645 1.00 0.00 C ATOM 0 H VAL A 96 -14.475 -0.721 5.522 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.132 1.750 5.270 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.129 -0.890 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.639 0.523 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.333 0.719 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.238 1.966 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.901 -0.024 8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.603 1.392 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.248 -0.234 7.427 1.00 0.00 H new ATOM 1503 N MET A 97 -12.119 -0.748 3.422 1.00 0.00 N ATOM 1504 CA MET A 97 -11.252 -1.124 2.314 1.00 0.00 C ATOM 1505 C MET A 97 -11.618 -0.339 1.057 1.00 0.00 C ATOM 1506 O MET A 97 -10.754 -0.004 0.248 1.00 0.00 O ATOM 1507 CB MET A 97 -11.330 -2.637 2.057 1.00 0.00 C ATOM 1508 CG MET A 97 -12.388 -3.052 1.045 1.00 0.00 C ATOM 1509 SD MET A 97 -11.744 -3.135 -0.637 1.00 0.00 S ATOM 1510 CE MET A 97 -11.844 -4.895 -0.952 1.00 0.00 C ATOM 0 H MET A 97 -12.824 -1.445 3.663 1.00 0.00 H new ATOM 0 HA MET A 97 -10.224 -0.878 2.581 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.357 -2.984 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.530 -3.143 3.001 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.791 -4.026 1.324 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.215 -2.343 1.079 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.479 -5.106 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.233 -5.430 -0.225 1.00 0.00 H new ATOM 0 HE3 MET A 97 -12.880 -5.222 -0.866 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.907 -0.042 0.903 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.382 0.707 -0.248 1.00 0.00 C ATOM 1522 C ASP A 98 -13.004 2.177 -0.128 1.00 0.00 C ATOM 1523 O ASP A 98 -12.805 2.864 -1.130 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.898 0.563 -0.394 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.310 -0.832 -0.819 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.430 -1.605 -1.254 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.513 -1.153 -0.718 1.00 0.00 O ATOM 0 H ASP A 98 -13.637 -0.310 1.563 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.904 0.298 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.376 0.806 0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.259 1.284 -1.127 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.906 2.651 1.107 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.549 4.038 1.367 1.00 0.00 C ATOM 1534 C ASN A 99 -11.085 4.291 1.036 1.00 0.00 C ATOM 1535 O ASN A 99 -10.708 5.384 0.614 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.825 4.393 2.829 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.301 4.322 3.173 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.157 4.332 2.289 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.605 4.250 4.464 1.00 0.00 N ATOM 0 H ASN A 99 -13.069 2.094 1.946 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.162 4.672 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.271 3.713 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.455 5.398 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.581 4.200 4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.862 4.244 5.163 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.268 3.266 1.231 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.840 3.356 0.956 1.00 0.00 C ATOM 1548 C ILE A 100 -8.544 3.048 -0.509 1.00 0.00 C ATOM 1549 O ILE A 100 -7.763 3.741 -1.157 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.039 2.386 1.847 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.325 2.657 3.326 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.549 2.500 1.558 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.761 3.971 3.823 1.00 0.00 C ATOM 0 H ILE A 100 -10.571 2.357 1.581 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.535 4.379 1.177 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.354 1.368 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.403 2.651 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.910 1.845 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.000 1.808 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.361 2.255 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.217 3.519 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.003 4.095 4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.678 3.974 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.195 4.792 3.253 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.171 1.994 -1.022 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.973 1.587 -2.407 1.00 0.00 C ATOM 1567 C LYS A 101 -9.298 2.724 -3.371 1.00 0.00 C ATOM 1568 O LYS A 101 -8.599 2.928 -4.362 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.841 0.370 -2.730 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.643 -0.162 -4.141 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.346 -1.493 -4.338 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.816 -1.305 -4.676 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.011 -0.327 -5.781 1.00 0.00 N ATOM 0 H LYS A 101 -9.820 1.407 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.922 1.325 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.619 -0.424 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.889 0.636 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.025 0.562 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.578 -0.279 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.856 -2.049 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.254 -2.091 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.249 -2.264 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.351 -0.963 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.895 -0.544 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.063 0.635 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.212 -0.388 -6.443 1.00 0.00 H new ATOM 1587 N MET A 102 -10.367 3.458 -3.078 1.00 0.00 N ATOM 1588 CA MET A 102 -10.781 4.570 -3.927 1.00 0.00 C ATOM 1589 C MET A 102 -9.865 5.770 -3.753 1.00 0.00 C ATOM 1590 O MET A 102 -9.517 6.445 -4.722 1.00 0.00 O ATOM 1591 CB MET A 102 -12.228 4.964 -3.622 1.00 0.00 C ATOM 1592 CG MET A 102 -13.242 3.894 -3.992 1.00 0.00 C ATOM 1593 SD MET A 102 -14.944 4.459 -3.816 1.00 0.00 S ATOM 1594 CE MET A 102 -14.985 4.878 -2.076 1.00 0.00 C ATOM 0 H MET A 102 -10.960 3.304 -2.263 1.00 0.00 H new ATOM 0 HA MET A 102 -10.713 4.240 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.319 5.186 -2.559 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.467 5.881 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.073 3.579 -5.022 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.087 3.019 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.972 5.261 -1.817 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.774 3.988 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.234 5.640 -1.867 1.00 0.00 H new ATOM 1604 N THR A 103 -9.477 6.030 -2.517 1.00 0.00 N ATOM 1605 CA THR A 103 -8.598 7.149 -2.216 1.00 0.00 C ATOM 1606 C THR A 103 -7.186 6.869 -2.717 1.00 0.00 C ATOM 1607 O THR A 103 -6.453 7.788 -3.086 1.00 0.00 O ATOM 1608 CB THR A 103 -8.600 7.448 -0.710 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.311 8.814 -0.472 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.605 6.629 0.089 1.00 0.00 C ATOM 0 H THR A 103 -9.756 5.481 -1.704 1.00 0.00 H new ATOM 0 HA THR A 103 -8.971 8.032 -2.734 1.00 0.00 H new ATOM 0 HB THR A 103 -9.603 7.181 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.318 8.987 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.671 6.902 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.831 5.569 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.596 6.827 -0.274 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.815 5.593 -2.740 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.497 5.192 -3.209 1.00 0.00 C ATOM 1620 C LEU A 104 -5.409 5.334 -4.722 1.00 0.00 C ATOM 1621 O LEU A 104 -4.351 5.656 -5.265 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.198 3.749 -2.799 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.762 3.564 -1.346 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.452 2.102 -1.063 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.554 4.436 -1.038 1.00 0.00 C ATOM 0 H LEU A 104 -7.409 4.821 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.755 5.845 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.089 3.146 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.416 3.358 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.583 3.872 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.143 1.990 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.342 1.500 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.648 1.767 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.257 4.292 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.728 4.159 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.810 5.483 -1.200 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.529 5.096 -5.400 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.576 5.202 -6.853 1.00 0.00 C ATOM 1639 C GLN A 105 -6.381 6.644 -7.292 1.00 0.00 C ATOM 1640 O GLN A 105 -5.805 6.911 -8.347 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.901 4.660 -7.389 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.971 3.143 -7.418 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.321 2.630 -7.879 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.256 2.509 -7.086 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.430 2.323 -9.166 1.00 0.00 N ATOM 0 H GLN A 105 -7.413 4.829 -4.967 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.764 4.602 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.715 5.041 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.059 5.042 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.195 2.760 -8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.760 2.754 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.630 2.439 -9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.314 1.971 -9.533 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.859 7.570 -6.475 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.730 8.987 -6.778 1.00 0.00 C ATOM 1656 C GLN A 106 -5.265 9.399 -6.761 1.00 0.00 C ATOM 1657 O GLN A 106 -4.812 10.151 -7.623 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.528 9.827 -5.778 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.027 9.588 -5.843 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.792 10.400 -4.817 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.218 10.893 -3.845 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -11.095 10.542 -5.026 1.00 0.00 N ATOM 0 H GLN A 106 -7.339 7.366 -5.598 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.133 9.164 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.177 9.607 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.328 10.883 -5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.388 9.837 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.229 8.528 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.530 10.116 -5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.662 11.077 -4.368 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.524 8.887 -5.784 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.105 9.189 -5.674 1.00 0.00 C ATOM 1673 C ILE A 107 -2.387 8.780 -6.955 1.00 0.00 C ATOM 1674 O ILE A 107 -1.559 9.521 -7.484 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.472 8.464 -4.471 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.127 8.932 -3.170 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.970 8.701 -4.433 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.831 8.037 -1.987 1.00 0.00 C ATOM 0 H ILE A 107 -4.882 8.264 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.999 10.263 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.643 7.393 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.786 9.943 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.206 8.984 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.541 8.181 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.519 8.323 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.772 9.769 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.328 8.430 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.197 7.031 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.755 8.004 -1.816 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.733 7.600 -7.457 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.151 7.086 -8.693 1.00 0.00 C ATOM 1692 C ILE A 108 -2.287 8.108 -9.800 1.00 0.00 C ATOM 1693 O ILE A 108 -1.320 8.473 -10.469 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.856 5.797 -9.158 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.131 4.862 -7.981 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.031 5.103 -10.222 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.963 4.703 -7.034 1.00 0.00 C ATOM 0 H ILE A 108 -3.417 6.978 -7.025 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.102 6.874 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.818 6.070 -9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.988 5.239 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.408 3.881 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.540 4.194 -10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.905 5.768 -11.076 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.053 4.847 -9.815 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.239 4.025 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.109 4.295 -7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.698 5.674 -6.617 1.00 0.00 H new ATOM 1709 N SER A 109 -3.513 8.555 -9.975 1.00 0.00 N ATOM 1710 CA SER A 109 -3.843 9.542 -10.998 1.00 0.00 C ATOM 1711 C SER A 109 -3.003 10.801 -10.835 1.00 0.00 C ATOM 1712 O SER A 109 -2.683 11.479 -11.812 1.00 0.00 O ATOM 1713 CB SER A 109 -5.330 9.893 -10.940 1.00 0.00 C ATOM 1714 OG SER A 109 -5.698 10.732 -12.021 1.00 0.00 O ATOM 0 H SER A 109 -4.311 8.250 -9.418 1.00 0.00 H new ATOM 0 HA SER A 109 -3.619 9.105 -11.971 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.924 8.979 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.553 10.391 -9.997 1.00 0.00 H new ATOM 0 HG SER A 109 -6.654 10.941 -11.962 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.651 11.108 -9.596 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.848 12.286 -9.302 1.00 0.00 C ATOM 1722 C ARG A 110 -0.409 12.089 -9.755 1.00 0.00 C ATOM 1723 O ARG A 110 0.253 13.034 -10.185 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.891 12.609 -7.807 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.256 13.076 -7.325 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.189 13.619 -5.907 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.485 14.113 -5.448 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.458 13.328 -4.989 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -5.287 12.013 -4.930 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.606 13.860 -4.590 1.00 0.00 N ATOM 0 H ARG A 110 -2.909 10.558 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.271 13.126 -9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.599 11.723 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.154 13.382 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.635 13.848 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.961 12.246 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.841 12.835 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.457 14.425 -5.862 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.655 15.118 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.407 11.599 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.036 11.417 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.743 14.870 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.352 13.259 -4.238 1.00 0.00 H new ATOM 1744 N TYR A 111 0.065 10.857 -9.663 1.00 0.00 N ATOM 1745 CA TYR A 111 1.425 10.533 -10.072 1.00 0.00 C ATOM 1746 C TYR A 111 1.553 10.579 -11.588 1.00 0.00 C ATOM 1747 O TYR A 111 2.623 10.871 -12.125 1.00 0.00 O ATOM 1748 CB TYR A 111 1.828 9.153 -9.549 1.00 0.00 C ATOM 1749 CG TYR A 111 2.385 9.182 -8.144 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.709 9.523 -7.908 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.584 8.870 -7.053 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.223 9.553 -6.625 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.089 8.896 -5.767 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.407 9.239 -5.558 1.00 0.00 C ATOM 1755 OH TYR A 111 3.913 9.266 -4.278 1.00 0.00 O ATOM 0 H TYR A 111 -0.470 10.064 -9.309 1.00 0.00 H new ATOM 0 HA TYR A 111 2.097 11.277 -9.644 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.959 8.495 -9.574 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.573 8.722 -10.218 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.350 9.769 -8.742 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.550 8.603 -7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.256 9.820 -6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.453 8.649 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 111 3.208 9.021 -3.642 1.00 0.00 H new ATOM 1765 N LYS A 112 0.453 10.296 -12.270 1.00 0.00 N ATOM 1766 CA LYS A 112 0.427 10.310 -13.725 1.00 0.00 C ATOM 1767 C LYS A 112 0.530 11.737 -14.252 1.00 0.00 C ATOM 1768 O LYS A 112 1.206 11.995 -15.248 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.857 9.657 -14.240 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.957 8.175 -13.917 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.172 7.542 -14.578 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.259 7.227 -13.562 1.00 0.00 C ATOM 1773 NZ LYS A 112 -3.929 5.928 -13.850 1.00 0.00 N ATOM 0 H LYS A 112 -0.438 10.053 -11.836 1.00 0.00 H new ATOM 0 HA LYS A 112 1.284 9.742 -14.086 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.715 10.173 -13.810 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.914 9.790 -15.320 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.053 7.667 -14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.017 8.040 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.567 8.217 -15.337 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.874 6.626 -15.089 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.824 7.198 -12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.000 8.026 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.663 5.750 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.366 5.964 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.227 5.162 -13.823 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.144 12.663 -13.574 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.127 14.065 -13.973 1.00 0.00 C ATOM 1789 C ASP A 113 1.294 14.617 -13.964 1.00 0.00 C ATOM 1790 O ASP A 113 1.660 15.431 -14.813 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.015 14.892 -13.041 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.215 16.310 -13.538 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -0.909 16.574 -14.720 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.678 17.157 -12.745 1.00 0.00 O ATOM 0 H ASP A 113 -0.708 12.466 -12.747 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.516 14.133 -14.989 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.985 14.405 -12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.568 14.918 -12.047 1.00 0.00 H new ATOM 1799 N ALA A 114 2.092 14.171 -12.999 1.00 0.00 N ATOM 1800 CA ALA A 114 3.474 14.621 -12.881 1.00 0.00 C ATOM 1801 C ALA A 114 4.277 14.262 -14.126 1.00 0.00 C ATOM 1802 O ALA A 114 5.192 14.988 -14.516 1.00 0.00 O ATOM 1803 CB ALA A 114 4.118 14.017 -11.642 1.00 0.00 C ATOM 0 H ALA A 114 1.805 13.499 -12.288 1.00 0.00 H new ATOM 0 HA ALA A 114 3.471 15.707 -12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.150 14.360 -11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.564 14.328 -10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.102 12.930 -11.717 1.00 0.00 H new ATOM 1809 N ASP A 115 3.929 13.140 -14.746 1.00 0.00 N ATOM 1810 CA ASP A 115 4.617 12.686 -15.949 1.00 0.00 C ATOM 1811 C ASP A 115 3.650 12.578 -17.123 1.00 0.00 C ATOM 1812 O ASP A 115 3.590 13.530 -17.928 1.00 0.00 O ATOM 1813 CB ASP A 115 5.285 11.332 -15.698 1.00 0.00 C ATOM 1814 CG ASP A 115 6.404 11.419 -14.677 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.869 12.544 -14.399 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.813 10.360 -14.154 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.960 11.541 -17.226 1.00 0.00 O ATOM 0 H ASP A 115 3.174 12.528 -14.435 1.00 0.00 H new ATOM 0 HA ASP A 115 5.382 13.422 -16.199 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.536 10.619 -15.352 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.683 10.947 -16.637 1.00 0.00 H new