USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 802 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 51 MET CE :methyl -169:sc= -0.697 (180deg=-0.123) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 173:sc= -0.24 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 64:sc= -3.34! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= 0 (180deg=-0.305) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.847 USER MOD Single : A 22 MET CE :methyl -167:sc= -0.982 (180deg=-1.3) USER MOD Single : A 24 THR OG1 : rot -19:sc= 1.13 USER MOD Single : A 25 HIS : no HD1:sc= 0.013 K(o=0.013,f=-0.9) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= -0.0671 (180deg=-0.735) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00254) USER MOD Single : A 54 SER OG : rot 76:sc= 1.12 USER MOD Single : A 55 THR OG1 : rot 155:sc= -0.702 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 95:sc= 0.387 USER MOD Single : A 64 GLN : amide:sc= -0.305 K(o=-0.31,f=-3.9!) USER MOD Single : A 65 TYR OH : rot -5:sc= -2.72! USER MOD Single : A 67 ASN : amide:sc= -3.81! C(o=-3.8!,f=-2!) USER MOD Single : A 70 THR OG1 : rot -80:sc= -0.314 USER MOD Single : A 81 ASN : amide:sc= -3.91! C(o=-3.9!,f=-5.6!) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.82! USER MOD Single : A 84 THR OG1 : rot 6:sc= 0.0354 USER MOD Single : A 86 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.71) USER MOD Single : A 90 SER OG : rot -23:sc= 0.295 USER MOD Single : A 97 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.066) USER MOD Single : A 98 ASN : amide:sc=-0.00146 K(o=-0.0015,f=-1.8!) USER MOD Single : A 99 MET CE :methyl 139:sc= -0.875 (180deg=-4.46!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00447) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 64:sc= -0.462 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.424 18.706 9.652 1.00 0.00 N ATOM 90 CA LYS A 10 -3.798 18.275 9.424 1.00 0.00 C ATOM 91 C LYS A 10 -3.890 17.382 8.191 1.00 0.00 C ATOM 92 O LYS A 10 -4.395 16.262 8.261 1.00 0.00 O ATOM 93 CB LYS A 10 -4.714 19.490 9.257 1.00 0.00 C ATOM 94 CG LYS A 10 -6.059 19.156 8.635 1.00 0.00 C ATOM 95 CD LYS A 10 -7.133 20.137 9.072 1.00 0.00 C ATOM 96 CE LYS A 10 -7.831 19.672 10.341 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.746 20.713 10.885 1.00 0.00 N ATOM 0 HA LYS A 10 -4.122 17.700 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.878 19.948 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.210 20.232 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.972 19.170 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.351 18.145 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.686 21.117 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.866 20.254 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.397 18.764 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.085 19.416 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.202 20.357 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.202 21.571 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.474 20.939 10.178 1.00 0.00 H new ATOM 111 N ASP A 11 -3.397 17.884 7.064 1.00 0.00 N ATOM 112 CA ASP A 11 -3.422 17.131 5.816 1.00 0.00 C ATOM 113 C ASP A 11 -2.867 15.724 6.019 1.00 0.00 C ATOM 114 O ASP A 11 -3.426 14.747 5.521 1.00 0.00 O ATOM 115 CB ASP A 11 -2.617 17.860 4.739 1.00 0.00 C ATOM 116 CG ASP A 11 -2.757 19.366 4.832 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.902 19.860 4.782 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.720 20.052 4.955 1.00 0.00 O ATOM 0 H ASP A 11 -2.975 18.810 6.989 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.459 17.050 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.565 17.589 4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.947 17.527 3.755 1.00 0.00 H new ATOM 123 N LEU A 12 -1.763 15.630 6.752 1.00 0.00 N ATOM 124 CA LEU A 12 -1.131 14.343 7.021 1.00 0.00 C ATOM 125 C LEU A 12 -2.026 13.468 7.893 1.00 0.00 C ATOM 126 O LEU A 12 -2.186 12.276 7.634 1.00 0.00 O ATOM 127 CB LEU A 12 0.222 14.550 7.705 1.00 0.00 C ATOM 128 CG LEU A 12 1.419 14.758 6.776 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.673 15.060 7.581 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.630 13.534 5.896 1.00 0.00 C ATOM 0 H LEU A 12 -1.287 16.429 7.171 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.976 13.836 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.145 15.415 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.424 13.685 8.336 1.00 0.00 H new ATOM 0 HG LEU A 12 1.211 15.612 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.514 15.205 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.519 15.966 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.886 14.226 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.486 13.700 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.816 12.662 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.739 13.362 5.292 1.00 0.00 H new ATOM 142 N ALA A 13 -2.608 14.070 8.925 1.00 0.00 N ATOM 143 CA ALA A 13 -3.490 13.346 9.832 1.00 0.00 C ATOM 144 C ALA A 13 -4.535 12.546 9.061 1.00 0.00 C ATOM 145 O ALA A 13 -4.837 11.404 9.408 1.00 0.00 O ATOM 146 CB ALA A 13 -4.167 14.313 10.792 1.00 0.00 C ATOM 0 H ALA A 13 -2.485 15.056 9.154 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.884 12.645 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.823 13.759 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.410 14.837 11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.754 15.036 10.226 1.00 0.00 H new ATOM 152 N LEU A 14 -5.083 13.152 8.014 1.00 0.00 N ATOM 153 CA LEU A 14 -6.095 12.496 7.193 1.00 0.00 C ATOM 154 C LEU A 14 -5.511 11.283 6.475 1.00 0.00 C ATOM 155 O LEU A 14 -6.147 10.232 6.395 1.00 0.00 O ATOM 156 CB LEU A 14 -6.668 13.480 6.172 1.00 0.00 C ATOM 157 CG LEU A 14 -7.464 14.653 6.744 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.779 15.667 5.654 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.745 14.159 7.401 1.00 0.00 C ATOM 0 H LEU A 14 -4.844 14.097 7.713 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.896 12.156 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.844 13.880 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.313 12.928 5.488 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.855 15.144 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.346 16.495 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.849 16.045 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.368 15.189 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.299 15.008 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.358 13.643 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.497 13.472 8.210 1.00 0.00 H new ATOM 171 N CYS A 15 -4.297 11.437 5.957 1.00 0.00 N ATOM 172 CA CYS A 15 -3.626 10.353 5.247 1.00 0.00 C ATOM 173 C CYS A 15 -3.602 9.083 6.091 1.00 0.00 C ATOM 174 O CYS A 15 -3.799 7.981 5.579 1.00 0.00 O ATOM 175 CB CYS A 15 -2.200 10.763 4.879 1.00 0.00 C ATOM 176 SG CYS A 15 -2.105 12.176 3.755 1.00 0.00 S ATOM 0 H CYS A 15 -3.758 12.301 6.015 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.185 10.149 4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.655 11.002 5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.696 9.913 4.420 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.594 13.229 4.340 1.00 0.00 H new ATOM 182 N SER A 16 -3.357 9.245 7.388 1.00 0.00 N ATOM 183 CA SER A 16 -3.301 8.111 8.303 1.00 0.00 C ATOM 184 C SER A 16 -4.613 7.333 8.285 1.00 0.00 C ATOM 185 O SER A 16 -4.621 6.106 8.373 1.00 0.00 O ATOM 186 CB SER A 16 -2.997 8.590 9.724 1.00 0.00 C ATOM 187 OG SER A 16 -2.767 7.494 10.592 1.00 0.00 O ATOM 0 H SER A 16 -3.194 10.151 7.828 1.00 0.00 H new ATOM 0 HA SER A 16 -2.502 7.448 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.122 9.239 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.831 9.185 10.097 1.00 0.00 H new ATOM 0 HG SER A 16 -2.573 7.826 11.494 1.00 0.00 H new ATOM 193 N MET A 17 -5.721 8.058 8.170 1.00 0.00 N ATOM 194 CA MET A 17 -7.040 7.436 8.140 1.00 0.00 C ATOM 195 C MET A 17 -7.189 6.536 6.917 1.00 0.00 C ATOM 196 O MET A 17 -7.282 5.315 7.042 1.00 0.00 O ATOM 197 CB MET A 17 -8.132 8.508 8.135 1.00 0.00 C ATOM 198 CG MET A 17 -7.927 9.590 9.183 1.00 0.00 C ATOM 199 SD MET A 17 -9.480 10.301 9.761 1.00 0.00 S ATOM 200 CE MET A 17 -10.217 10.810 8.210 1.00 0.00 C ATOM 0 H MET A 17 -5.732 9.075 8.096 1.00 0.00 H new ATOM 0 HA MET A 17 -7.146 6.823 9.035 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.170 8.971 7.149 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.098 8.031 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.386 9.171 10.031 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.303 10.381 8.766 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.064 11.467 8.408 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.477 11.342 7.613 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.560 9.931 7.664 1.00 0.00 H new ATOM 210 N ILE A 18 -7.212 7.147 5.738 1.00 0.00 N ATOM 211 CA ILE A 18 -7.348 6.400 4.493 1.00 0.00 C ATOM 212 C ILE A 18 -6.502 5.132 4.518 1.00 0.00 C ATOM 213 O ILE A 18 -6.973 4.051 4.163 1.00 0.00 O ATOM 214 CB ILE A 18 -6.941 7.253 3.277 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.863 8.467 3.146 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.976 6.415 2.008 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.202 9.660 2.492 1.00 0.00 C ATOM 0 H ILE A 18 -7.138 8.157 5.618 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.400 6.130 4.400 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.922 7.610 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.741 8.185 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.215 8.755 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.686 7.031 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.282 5.580 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.985 6.033 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.914 10.483 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.340 9.968 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.875 9.390 1.488 1.00 0.00 H new ATOM 229 N LEU A 19 -5.250 5.272 4.939 1.00 0.00 N ATOM 230 CA LEU A 19 -4.336 4.137 5.013 1.00 0.00 C ATOM 231 C LEU A 19 -4.921 3.022 5.874 1.00 0.00 C ATOM 232 O LEU A 19 -4.904 1.851 5.490 1.00 0.00 O ATOM 233 CB LEU A 19 -2.986 4.579 5.579 1.00 0.00 C ATOM 234 CG LEU A 19 -1.952 3.473 5.791 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.531 2.873 4.458 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.743 4.010 6.542 1.00 0.00 C ATOM 0 H LEU A 19 -4.844 6.160 5.234 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.191 3.753 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.559 5.324 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.160 5.074 6.534 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.408 2.686 6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.795 2.088 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.402 2.451 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.094 3.650 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.018 3.209 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.286 4.816 5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.058 4.391 7.514 1.00 0.00 H new ATOM 248 N THR A 20 -5.441 3.392 7.040 1.00 0.00 N ATOM 249 CA THR A 20 -6.032 2.424 7.955 1.00 0.00 C ATOM 250 C THR A 20 -7.110 1.598 7.261 1.00 0.00 C ATOM 251 O THR A 20 -7.009 0.375 7.179 1.00 0.00 O ATOM 252 CB THR A 20 -6.646 3.117 9.186 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.650 3.897 9.857 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.230 2.094 10.148 1.00 0.00 C ATOM 0 H THR A 20 -5.465 4.356 7.373 1.00 0.00 H new ATOM 0 HA THR A 20 -5.227 1.765 8.281 1.00 0.00 H new ATOM 0 HB THR A 20 -7.449 3.770 8.845 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.415 4.672 9.305 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.658 2.607 11.009 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.009 1.522 9.643 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.443 1.418 10.482 1.00 0.00 H new ATOM 262 N GLU A 21 -8.140 2.276 6.763 1.00 0.00 N ATOM 263 CA GLU A 21 -9.236 1.603 6.076 1.00 0.00 C ATOM 264 C GLU A 21 -8.705 0.655 5.004 1.00 0.00 C ATOM 265 O GLU A 21 -9.074 -0.518 4.961 1.00 0.00 O ATOM 266 CB GLU A 21 -10.178 2.629 5.445 1.00 0.00 C ATOM 267 CG GLU A 21 -10.950 3.453 6.461 1.00 0.00 C ATOM 268 CD GLU A 21 -12.149 2.713 7.022 1.00 0.00 C ATOM 269 OE1 GLU A 21 -11.946 1.735 7.771 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.291 3.113 6.712 1.00 0.00 O ATOM 0 H GLU A 21 -8.238 3.290 6.823 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.788 1.019 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.598 3.300 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.885 2.110 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.285 3.732 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.285 4.379 5.993 1.00 0.00 H new ATOM 277 N MET A 22 -7.838 1.174 4.141 1.00 0.00 N ATOM 278 CA MET A 22 -7.257 0.374 3.069 1.00 0.00 C ATOM 279 C MET A 22 -6.444 -0.785 3.635 1.00 0.00 C ATOM 280 O MET A 22 -6.388 -1.863 3.044 1.00 0.00 O ATOM 281 CB MET A 22 -6.371 1.246 2.177 1.00 0.00 C ATOM 282 CG MET A 22 -7.141 2.306 1.406 1.00 0.00 C ATOM 283 SD MET A 22 -6.351 2.741 -0.155 1.00 0.00 S ATOM 284 CE MET A 22 -4.667 3.023 0.384 1.00 0.00 C ATOM 0 H MET A 22 -7.523 2.144 4.163 1.00 0.00 H new ATOM 0 HA MET A 22 -8.072 -0.035 2.472 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.616 1.734 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.841 0.608 1.470 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.151 1.945 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.236 3.200 2.022 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.109 3.519 -0.410 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.670 3.653 1.273 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.195 2.069 0.618 1.00 0.00 H new ATOM 294 N GLU A 23 -5.815 -0.556 4.784 1.00 0.00 N ATOM 295 CA GLU A 23 -5.004 -1.582 5.428 1.00 0.00 C ATOM 296 C GLU A 23 -5.875 -2.735 5.920 1.00 0.00 C ATOM 297 O GLU A 23 -5.388 -3.843 6.149 1.00 0.00 O ATOM 298 CB GLU A 23 -4.221 -0.984 6.599 1.00 0.00 C ATOM 299 CG GLU A 23 -2.909 -0.338 6.187 1.00 0.00 C ATOM 300 CD GLU A 23 -2.193 0.322 7.350 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.844 1.089 8.090 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.981 0.070 7.520 1.00 0.00 O ATOM 0 H GLU A 23 -5.852 0.330 5.287 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.301 -1.969 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.842 -0.240 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.017 -1.769 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.259 -1.094 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.102 0.406 5.414 1.00 0.00 H new ATOM 309 N THR A 24 -7.166 -2.465 6.082 1.00 0.00 N ATOM 310 CA THR A 24 -8.106 -3.477 6.549 1.00 0.00 C ATOM 311 C THR A 24 -8.983 -3.980 5.408 1.00 0.00 C ATOM 312 O THR A 24 -10.155 -4.302 5.608 1.00 0.00 O ATOM 313 CB THR A 24 -9.007 -2.932 7.672 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.837 -1.880 7.167 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.172 -2.413 8.832 1.00 0.00 C ATOM 0 H THR A 24 -7.585 -1.554 5.897 1.00 0.00 H new ATOM 0 HA THR A 24 -7.512 -4.304 6.939 1.00 0.00 H new ATOM 0 HB THR A 24 -9.634 -3.748 8.033 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.454 -1.532 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.831 -2.033 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.563 -3.223 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.523 -1.610 8.482 1.00 0.00 H new ATOM 323 N HIS A 25 -8.408 -4.047 4.211 1.00 0.00 N ATOM 324 CA HIS A 25 -9.139 -4.513 3.037 1.00 0.00 C ATOM 325 C HIS A 25 -8.801 -5.969 2.730 1.00 0.00 C ATOM 326 O HIS A 25 -7.653 -6.391 2.869 1.00 0.00 O ATOM 327 CB HIS A 25 -8.815 -3.636 1.828 1.00 0.00 C ATOM 328 CG HIS A 25 -9.945 -3.524 0.850 1.00 0.00 C ATOM 329 ND1 HIS A 25 -9.991 -4.235 -0.330 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.074 -2.779 0.884 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.100 -3.931 -0.981 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.775 -3.049 -0.265 1.00 0.00 N ATOM 0 H HIS A 25 -7.439 -3.785 4.028 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.205 -4.443 3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.545 -2.639 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.942 -4.043 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.369 -2.098 1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.403 -4.335 -1.936 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.671 -2.636 -0.524 1.00 0.00 H new ATOM 340 N GLU A 26 -9.808 -6.730 2.312 1.00 0.00 N ATOM 341 CA GLU A 26 -9.616 -8.138 1.987 1.00 0.00 C ATOM 342 C GLU A 26 -8.602 -8.303 0.859 1.00 0.00 C ATOM 343 O GLU A 26 -8.072 -9.393 0.640 1.00 0.00 O ATOM 344 CB GLU A 26 -10.947 -8.778 1.589 1.00 0.00 C ATOM 345 CG GLU A 26 -11.537 -8.210 0.309 1.00 0.00 C ATOM 346 CD GLU A 26 -12.672 -9.055 -0.235 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.389 -10.103 -0.853 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.844 -8.668 -0.044 1.00 0.00 O ATOM 0 H GLU A 26 -10.764 -6.395 2.191 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.231 -8.640 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.802 -9.851 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.662 -8.643 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.899 -7.199 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.753 -8.132 -0.445 1.00 0.00 H new ATOM 355 N ASP A 27 -8.338 -7.214 0.145 1.00 0.00 N ATOM 356 CA ASP A 27 -7.388 -7.236 -0.961 1.00 0.00 C ATOM 357 C ASP A 27 -6.285 -6.204 -0.750 1.00 0.00 C ATOM 358 O ASP A 27 -5.763 -5.634 -1.709 1.00 0.00 O ATOM 359 CB ASP A 27 -8.107 -6.971 -2.284 1.00 0.00 C ATOM 360 CG ASP A 27 -8.727 -8.225 -2.868 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.973 -9.173 -3.174 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.966 -8.259 -3.019 1.00 0.00 O ATOM 0 H ASP A 27 -8.769 -6.305 0.313 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.932 -8.225 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.885 -6.224 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.401 -6.551 -3.000 1.00 0.00 H new ATOM 367 N ALA A 28 -5.936 -5.966 0.510 1.00 0.00 N ATOM 368 CA ALA A 28 -4.895 -5.003 0.846 1.00 0.00 C ATOM 369 C ALA A 28 -3.727 -5.682 1.553 1.00 0.00 C ATOM 370 O ALA A 28 -2.745 -5.032 1.914 1.00 0.00 O ATOM 371 CB ALA A 28 -5.465 -3.890 1.712 1.00 0.00 C ATOM 0 H ALA A 28 -6.359 -6.427 1.315 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.521 -4.570 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.676 -3.178 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.261 -3.379 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.867 -4.314 2.632 1.00 0.00 H new ATOM 377 N TRP A 29 -3.840 -6.990 1.749 1.00 0.00 N ATOM 378 CA TRP A 29 -2.792 -7.757 2.415 1.00 0.00 C ATOM 379 C TRP A 29 -1.614 -7.996 1.478 1.00 0.00 C ATOM 380 O TRP A 29 -0.461 -8.097 1.899 1.00 0.00 O ATOM 381 CB TRP A 29 -3.346 -9.094 2.910 1.00 0.00 C ATOM 382 CG TRP A 29 -3.701 -10.037 1.801 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.956 -10.388 1.393 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.789 -10.751 0.959 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.880 -11.277 0.349 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.562 -11.515 0.063 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.396 -10.818 0.874 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.986 -12.336 -0.904 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.826 -11.632 -0.086 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.619 -12.382 -0.965 1.00 0.00 C ATOM 0 H TRP A 29 -4.646 -7.542 1.457 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.441 -7.179 3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.608 -9.567 3.558 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.232 -8.909 3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.874 -10.020 1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.676 -11.693 -0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.776 -10.244 1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.596 -12.915 -1.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.250 -11.691 -0.160 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.143 -13.008 -1.705 1.00 0.00 H new ATOM 401 N PRO A 30 -1.904 -8.090 0.172 1.00 0.00 N ATOM 402 CA PRO A 30 -0.797 -8.320 -0.760 1.00 0.00 C ATOM 403 C PRO A 30 0.377 -7.380 -0.509 1.00 0.00 C ATOM 404 O PRO A 30 1.498 -7.639 -0.947 1.00 0.00 O ATOM 405 CB PRO A 30 -1.422 -8.042 -2.129 1.00 0.00 C ATOM 406 CG PRO A 30 -2.874 -8.314 -1.945 1.00 0.00 C ATOM 407 CD PRO A 30 -3.202 -7.998 -0.518 1.00 0.00 C ATOM 0 HA PRO A 30 -0.383 -9.324 -0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.249 -7.012 -2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.993 -8.685 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.470 -7.702 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.103 -9.355 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.638 -7.004 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.924 -8.705 -0.108 1.00 0.00 H new ATOM 415 N PHE A 31 0.112 -6.287 0.199 1.00 0.00 N ATOM 416 CA PHE A 31 1.147 -5.307 0.508 1.00 0.00 C ATOM 417 C PHE A 31 1.394 -5.232 2.012 1.00 0.00 C ATOM 418 O PHE A 31 2.517 -4.988 2.457 1.00 0.00 O ATOM 419 CB PHE A 31 0.749 -3.928 -0.024 1.00 0.00 C ATOM 420 CG PHE A 31 -0.017 -3.982 -1.315 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.389 -4.180 -1.314 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.634 -3.834 -2.529 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.096 -4.231 -2.500 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.068 -3.883 -3.718 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.435 -4.081 -3.704 1.00 0.00 C ATOM 0 H PHE A 31 -0.810 -6.058 0.569 1.00 0.00 H new ATOM 0 HA PHE A 31 2.069 -5.625 0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.145 -3.418 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.649 -3.330 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.911 -4.296 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.703 -3.679 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.164 -4.388 -2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.452 -3.767 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.986 -4.118 -4.632 1.00 0.00 H new ATOM 435 N LEU A 32 0.339 -5.444 2.790 1.00 0.00 N ATOM 436 CA LEU A 32 0.439 -5.401 4.244 1.00 0.00 C ATOM 437 C LEU A 32 1.819 -5.855 4.709 1.00 0.00 C ATOM 438 O LEU A 32 2.413 -5.255 5.605 1.00 0.00 O ATOM 439 CB LEU A 32 -0.640 -6.282 4.876 1.00 0.00 C ATOM 440 CG LEU A 32 -2.021 -5.644 5.033 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.002 -6.636 5.638 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.933 -4.388 5.889 1.00 0.00 C ATOM 0 H LEU A 32 -0.596 -5.648 2.438 1.00 0.00 H new ATOM 0 HA LEU A 32 0.290 -4.369 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.745 -7.183 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.293 -6.597 5.860 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.385 -5.362 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.979 -6.164 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.087 -7.506 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.644 -6.949 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.924 -3.947 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.548 -4.646 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.263 -3.671 5.415 1.00 0.00 H new ATOM 454 N LEU A 33 2.325 -6.918 4.092 1.00 0.00 N ATOM 455 CA LEU A 33 3.637 -7.452 4.440 1.00 0.00 C ATOM 456 C LEU A 33 4.635 -7.225 3.309 1.00 0.00 C ATOM 457 O LEU A 33 4.302 -7.313 2.127 1.00 0.00 O ATOM 458 CB LEU A 33 3.534 -8.946 4.752 1.00 0.00 C ATOM 459 CG LEU A 33 3.091 -9.306 6.171 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.958 -10.813 6.322 1.00 0.00 C ATOM 461 CD2 LEU A 33 4.072 -8.750 7.193 1.00 0.00 C ATOM 0 H LEU A 33 1.846 -7.427 3.349 1.00 0.00 H new ATOM 0 HA LEU A 33 3.993 -6.925 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.833 -9.396 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.507 -9.403 4.569 1.00 0.00 H new ATOM 0 HG LEU A 33 2.115 -8.856 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.642 -11.050 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.217 -11.185 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.920 -11.285 6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.741 -9.016 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.061 -9.171 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.117 -7.665 7.101 1.00 0.00 H new ATOM 473 N PRO A 34 5.890 -6.927 3.677 1.00 0.00 N ATOM 474 CA PRO A 34 6.963 -6.684 2.708 1.00 0.00 C ATOM 475 C PRO A 34 7.376 -7.953 1.971 1.00 0.00 C ATOM 476 O PRO A 34 7.342 -9.048 2.532 1.00 0.00 O ATOM 477 CB PRO A 34 8.114 -6.170 3.576 1.00 0.00 C ATOM 478 CG PRO A 34 7.853 -6.739 4.928 1.00 0.00 C ATOM 479 CD PRO A 34 6.358 -6.805 5.068 1.00 0.00 C ATOM 0 HA PRO A 34 6.657 -5.989 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.079 -6.497 3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.134 -5.080 3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.298 -7.729 5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.291 -6.113 5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.048 -7.658 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.960 -5.912 5.549 1.00 0.00 H new ATOM 487 N VAL A 35 7.767 -7.798 0.710 1.00 0.00 N ATOM 488 CA VAL A 35 8.189 -8.932 -0.104 1.00 0.00 C ATOM 489 C VAL A 35 9.589 -9.396 0.284 1.00 0.00 C ATOM 490 O VAL A 35 10.532 -8.607 0.302 1.00 0.00 O ATOM 491 CB VAL A 35 8.173 -8.583 -1.604 1.00 0.00 C ATOM 492 CG1 VAL A 35 9.208 -7.511 -1.914 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.416 -9.828 -2.443 1.00 0.00 C ATOM 0 H VAL A 35 7.800 -6.899 0.230 1.00 0.00 H new ATOM 0 HA VAL A 35 7.478 -9.737 0.082 1.00 0.00 H new ATOM 0 HB VAL A 35 7.189 -8.188 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.182 -7.277 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.984 -6.612 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.200 -7.875 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.401 -9.563 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.387 -10.254 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.634 -10.561 -2.242 1.00 0.00 H new ATOM 503 N ASN A 36 9.715 -10.683 0.592 1.00 0.00 N ATOM 504 CA ASN A 36 11.000 -11.253 0.980 1.00 0.00 C ATOM 505 C ASN A 36 11.917 -11.400 -0.230 1.00 0.00 C ATOM 506 O ASN A 36 11.847 -12.389 -0.961 1.00 0.00 O ATOM 507 CB ASN A 36 10.797 -12.614 1.648 1.00 0.00 C ATOM 508 CG ASN A 36 10.621 -12.501 3.150 1.00 0.00 C ATOM 509 OD1 ASN A 36 9.546 -12.151 3.636 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.681 -12.798 3.893 1.00 0.00 N ATOM 0 H ASN A 36 8.944 -11.350 0.580 1.00 0.00 H new ATOM 0 HA ASN A 36 11.471 -10.574 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.921 -13.100 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.654 -13.253 1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.623 -12.740 4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.553 -13.084 3.447 1.00 0.00 H new ATOM 517 N LEU A 37 12.779 -10.410 -0.436 1.00 0.00 N ATOM 518 CA LEU A 37 13.712 -10.428 -1.557 1.00 0.00 C ATOM 519 C LEU A 37 14.554 -11.700 -1.544 1.00 0.00 C ATOM 520 O LEU A 37 14.942 -12.211 -2.595 1.00 0.00 O ATOM 521 CB LEU A 37 14.622 -9.199 -1.509 1.00 0.00 C ATOM 522 CG LEU A 37 13.922 -7.852 -1.332 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.943 -6.736 -1.177 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.999 -7.572 -2.510 1.00 0.00 C ATOM 0 H LEU A 37 12.851 -9.585 0.159 1.00 0.00 H new ATOM 0 HA LEU A 37 13.133 -10.407 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.330 -9.328 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.203 -9.166 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 37 13.319 -7.894 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.426 -5.785 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.563 -6.929 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.573 -6.693 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.509 -6.609 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.581 -7.550 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.245 -8.357 -2.576 1.00 0.00 H new ATOM 536 N LYS A 38 14.831 -12.207 -0.348 1.00 0.00 N ATOM 537 CA LYS A 38 15.623 -13.422 -0.197 1.00 0.00 C ATOM 538 C LYS A 38 14.876 -14.632 -0.747 1.00 0.00 C ATOM 539 O LYS A 38 15.486 -15.578 -1.246 1.00 0.00 O ATOM 540 CB LYS A 38 15.969 -13.649 1.276 1.00 0.00 C ATOM 541 CG LYS A 38 16.802 -12.535 1.885 1.00 0.00 C ATOM 542 CD LYS A 38 17.154 -12.828 3.334 1.00 0.00 C ATOM 543 CE LYS A 38 17.708 -11.596 4.034 1.00 0.00 C ATOM 544 NZ LYS A 38 18.550 -11.957 5.207 1.00 0.00 N ATOM 0 H LYS A 38 14.519 -11.795 0.531 1.00 0.00 H new ATOM 0 HA LYS A 38 16.544 -13.298 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.045 -13.753 1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.511 -14.590 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.717 -12.406 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.253 -11.595 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.267 -13.179 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.888 -13.632 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.299 -11.012 3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.884 -10.962 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.909 -11.091 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.979 -12.492 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.351 -12.541 4.893 1.00 0.00 H new ATOM 558 N LEU A 39 13.551 -14.595 -0.655 1.00 0.00 N ATOM 559 CA LEU A 39 12.719 -15.689 -1.145 1.00 0.00 C ATOM 560 C LEU A 39 12.377 -15.494 -2.619 1.00 0.00 C ATOM 561 O LEU A 39 12.647 -16.362 -3.449 1.00 0.00 O ATOM 562 CB LEU A 39 11.434 -15.788 -0.321 1.00 0.00 C ATOM 563 CG LEU A 39 11.611 -16.140 1.157 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.261 -16.197 1.856 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.348 -17.462 1.306 1.00 0.00 C ATOM 0 H LEU A 39 13.030 -13.820 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 39 13.282 -16.616 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.909 -14.835 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.790 -16.539 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 39 12.209 -15.360 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.406 -16.449 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.770 -15.227 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.638 -16.957 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.465 -17.696 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.777 -18.253 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.331 -17.385 0.841 1.00 0.00 H new ATOM 577 N VAL A 40 11.784 -14.348 -2.937 1.00 0.00 N ATOM 578 CA VAL A 40 11.408 -14.038 -4.311 1.00 0.00 C ATOM 579 C VAL A 40 12.636 -13.953 -5.211 1.00 0.00 C ATOM 580 O VAL A 40 13.579 -13.207 -4.948 1.00 0.00 O ATOM 581 CB VAL A 40 10.632 -12.710 -4.395 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.110 -12.484 -5.805 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.493 -12.695 -3.387 1.00 0.00 C ATOM 0 H VAL A 40 11.554 -13.619 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 40 10.765 -14.849 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 40 11.314 -11.895 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.565 -11.541 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.948 -12.448 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.443 -13.301 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.955 -11.750 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.810 -13.518 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.896 -12.806 -2.381 1.00 0.00 H new ATOM 593 N PRO A 41 12.626 -14.736 -6.300 1.00 0.00 N ATOM 594 CA PRO A 41 13.731 -14.768 -7.262 1.00 0.00 C ATOM 595 C PRO A 41 13.834 -13.479 -8.070 1.00 0.00 C ATOM 596 O PRO A 41 13.253 -13.363 -9.149 1.00 0.00 O ATOM 597 CB PRO A 41 13.374 -15.944 -8.175 1.00 0.00 C ATOM 598 CG PRO A 41 11.892 -16.062 -8.078 1.00 0.00 C ATOM 599 CD PRO A 41 11.535 -15.651 -6.676 1.00 0.00 C ATOM 0 HA PRO A 41 14.697 -14.872 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.690 -15.758 -9.202 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.866 -16.861 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.401 -15.421 -8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.568 -17.083 -8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.564 -15.156 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.482 -16.510 -6.007 1.00 0.00 H new ATOM 607 N GLY A 42 14.577 -12.511 -7.541 1.00 0.00 N ATOM 608 CA GLY A 42 14.742 -11.243 -8.227 1.00 0.00 C ATOM 609 C GLY A 42 13.474 -10.411 -8.220 1.00 0.00 C ATOM 610 O GLY A 42 12.717 -10.412 -9.191 1.00 0.00 O ATOM 0 H GLY A 42 15.067 -12.583 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.546 -10.679 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.046 -11.428 -9.257 1.00 0.00 H new ATOM 614 N TYR A 43 13.242 -9.700 -7.122 1.00 0.00 N ATOM 615 CA TYR A 43 12.055 -8.863 -6.991 1.00 0.00 C ATOM 616 C TYR A 43 12.387 -7.400 -7.265 1.00 0.00 C ATOM 617 O TYR A 43 11.746 -6.748 -8.090 1.00 0.00 O ATOM 618 CB TYR A 43 11.455 -9.008 -5.591 1.00 0.00 C ATOM 619 CG TYR A 43 10.213 -8.173 -5.375 1.00 0.00 C ATOM 620 CD1 TYR A 43 10.290 -6.788 -5.294 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.964 -8.768 -5.252 1.00 0.00 C ATOM 622 CE1 TYR A 43 9.158 -6.020 -5.096 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.827 -8.009 -5.055 1.00 0.00 C ATOM 624 CZ TYR A 43 7.930 -6.635 -4.978 1.00 0.00 C ATOM 625 OH TYR A 43 6.799 -5.875 -4.780 1.00 0.00 O ATOM 0 H TYR A 43 13.860 -9.686 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 43 11.324 -9.195 -7.729 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.213 -10.056 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.205 -8.726 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.251 -6.303 -5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.880 -9.843 -5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.235 -4.945 -5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.863 -8.488 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 43 6.017 -6.462 -4.719 1.00 0.00 H new ATOM 635 N LYS A 44 13.396 -6.888 -6.568 1.00 0.00 N ATOM 636 CA LYS A 44 13.818 -5.503 -6.735 1.00 0.00 C ATOM 637 C LYS A 44 14.042 -5.176 -8.209 1.00 0.00 C ATOM 638 O LYS A 44 13.568 -4.156 -8.708 1.00 0.00 O ATOM 639 CB LYS A 44 15.100 -5.239 -5.943 1.00 0.00 C ATOM 640 CG LYS A 44 14.879 -5.136 -4.444 1.00 0.00 C ATOM 641 CD LYS A 44 15.953 -4.293 -3.778 1.00 0.00 C ATOM 642 CE LYS A 44 15.562 -2.823 -3.736 1.00 0.00 C ATOM 643 NZ LYS A 44 16.015 -2.093 -4.952 1.00 0.00 N ATOM 0 H LYS A 44 13.937 -7.413 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 44 13.025 -4.860 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.812 -6.040 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.553 -4.314 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.900 -4.699 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.876 -6.134 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.124 -4.654 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.893 -4.405 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.479 -2.738 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.995 -2.357 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.092 -1.078 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.943 -2.456 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.327 -2.235 -5.719 1.00 0.00 H new ATOM 657 N LYS A 45 14.766 -6.050 -8.900 1.00 0.00 N ATOM 658 CA LYS A 45 15.050 -5.857 -10.317 1.00 0.00 C ATOM 659 C LYS A 45 13.803 -5.396 -11.065 1.00 0.00 C ATOM 660 O LYS A 45 13.858 -4.465 -11.869 1.00 0.00 O ATOM 661 CB LYS A 45 15.577 -7.155 -10.934 1.00 0.00 C ATOM 662 CG LYS A 45 16.900 -7.615 -10.346 1.00 0.00 C ATOM 663 CD LYS A 45 17.318 -8.966 -10.902 1.00 0.00 C ATOM 664 CE LYS A 45 18.114 -8.817 -12.189 1.00 0.00 C ATOM 665 NZ LYS A 45 18.484 -10.138 -12.768 1.00 0.00 N ATOM 0 H LYS A 45 15.167 -6.899 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 45 15.812 -5.083 -10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.835 -7.941 -10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.696 -7.015 -12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.672 -6.877 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.815 -7.678 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.917 -9.496 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.432 -9.573 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.528 -8.253 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.018 -8.241 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.025 -9.994 -13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.064 -10.666 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.621 -10.678 -12.980 1.00 0.00 H new ATOM 679 N VAL A 46 12.679 -6.053 -10.794 1.00 0.00 N ATOM 680 CA VAL A 46 11.418 -5.708 -11.439 1.00 0.00 C ATOM 681 C VAL A 46 10.789 -4.478 -10.794 1.00 0.00 C ATOM 682 O VAL A 46 10.260 -3.606 -11.483 1.00 0.00 O ATOM 683 CB VAL A 46 10.417 -6.877 -11.374 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.053 -6.441 -11.886 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.937 -8.068 -12.166 1.00 0.00 C ATOM 0 H VAL A 46 12.617 -6.827 -10.132 1.00 0.00 H new ATOM 0 HA VAL A 46 11.645 -5.491 -12.483 1.00 0.00 H new ATOM 0 HB VAL A 46 10.308 -7.181 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.359 -7.280 -11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.679 -5.621 -11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.142 -6.109 -12.920 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.217 -8.885 -12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.077 -7.779 -13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.890 -8.394 -11.749 1.00 0.00 H new ATOM 695 N ILE A 47 10.851 -4.415 -9.468 1.00 0.00 N ATOM 696 CA ILE A 47 10.288 -3.291 -8.730 1.00 0.00 C ATOM 697 C ILE A 47 11.371 -2.288 -8.347 1.00 0.00 C ATOM 698 O ILE A 47 12.200 -2.555 -7.477 1.00 0.00 O ATOM 699 CB ILE A 47 9.564 -3.761 -7.455 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.487 -4.790 -7.803 1.00 0.00 C ATOM 701 CG2 ILE A 47 8.954 -2.574 -6.725 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.443 -4.270 -8.766 1.00 0.00 C ATOM 0 H ILE A 47 11.285 -5.129 -8.883 1.00 0.00 H new ATOM 0 HA ILE A 47 9.567 -2.809 -9.390 1.00 0.00 H new ATOM 0 HB ILE A 47 10.291 -4.234 -6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.963 -5.670 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.995 -5.113 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.446 -2.922 -5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.742 -1.873 -6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.237 -2.075 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.712 -5.053 -8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.940 -3.408 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.924 -3.974 -9.698 1.00 0.00 H new ATOM 714 N LYS A 48 11.357 -1.132 -9.001 1.00 0.00 N ATOM 715 CA LYS A 48 12.336 -0.086 -8.728 1.00 0.00 C ATOM 716 C LYS A 48 12.309 0.313 -7.256 1.00 0.00 C ATOM 717 O LYS A 48 13.351 0.400 -6.606 1.00 0.00 O ATOM 718 CB LYS A 48 12.062 1.139 -9.604 1.00 0.00 C ATOM 719 CG LYS A 48 12.256 0.880 -11.088 1.00 0.00 C ATOM 720 CD LYS A 48 13.672 1.207 -11.531 1.00 0.00 C ATOM 721 CE LYS A 48 14.566 -0.023 -11.497 1.00 0.00 C ATOM 722 NZ LYS A 48 14.560 -0.748 -12.798 1.00 0.00 N ATOM 0 H LYS A 48 10.678 -0.895 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 48 13.325 -0.479 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.040 1.476 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.721 1.951 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.037 -0.165 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.548 1.480 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.653 1.616 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.088 1.978 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.585 0.275 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.231 -0.694 -10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.181 -1.580 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.591 -1.055 -13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.903 -0.116 -13.549 1.00 0.00 H new ATOM 736 N LYS A 49 11.110 0.554 -6.735 1.00 0.00 N ATOM 737 CA LYS A 49 10.947 0.941 -5.339 1.00 0.00 C ATOM 738 C LYS A 49 9.883 0.085 -4.658 1.00 0.00 C ATOM 739 O LYS A 49 8.690 0.385 -4.700 1.00 0.00 O ATOM 740 CB LYS A 49 10.567 2.420 -5.239 1.00 0.00 C ATOM 741 CG LYS A 49 11.764 3.351 -5.158 1.00 0.00 C ATOM 742 CD LYS A 49 11.333 4.805 -5.061 1.00 0.00 C ATOM 743 CE LYS A 49 10.958 5.182 -3.636 1.00 0.00 C ATOM 744 NZ LYS A 49 12.161 5.429 -2.793 1.00 0.00 N ATOM 0 H LYS A 49 10.237 0.488 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 49 11.898 0.781 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.964 2.691 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.942 2.567 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.370 3.091 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.393 3.215 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.141 5.449 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.482 4.978 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.334 6.076 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.362 4.383 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.939 5.216 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.940 4.818 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.446 6.426 -2.878 1.00 0.00 H new ATOM 758 N PRO A 50 10.323 -1.006 -4.014 1.00 0.00 N ATOM 759 CA PRO A 50 9.425 -1.926 -3.310 1.00 0.00 C ATOM 760 C PRO A 50 8.827 -1.305 -2.052 1.00 0.00 C ATOM 761 O PRO A 50 9.477 -1.248 -1.008 1.00 0.00 O ATOM 762 CB PRO A 50 10.335 -3.102 -2.945 1.00 0.00 C ATOM 763 CG PRO A 50 11.704 -2.517 -2.888 1.00 0.00 C ATOM 764 CD PRO A 50 11.732 -1.425 -3.922 1.00 0.00 C ATOM 0 HA PRO A 50 8.568 -2.206 -3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.051 -3.540 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.274 -3.896 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.918 -2.120 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.460 -3.273 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.377 -0.601 -3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.107 -1.787 -4.879 1.00 0.00 H new ATOM 772 N MET A 51 7.587 -0.840 -2.159 1.00 0.00 N ATOM 773 CA MET A 51 6.902 -0.224 -1.029 1.00 0.00 C ATOM 774 C MET A 51 5.877 -1.180 -0.427 1.00 0.00 C ATOM 775 O MET A 51 5.540 -2.201 -1.027 1.00 0.00 O ATOM 776 CB MET A 51 6.214 1.071 -1.466 1.00 0.00 C ATOM 777 CG MET A 51 5.741 1.930 -0.304 1.00 0.00 C ATOM 778 SD MET A 51 7.052 2.272 0.885 1.00 0.00 S ATOM 779 CE MET A 51 8.136 3.308 -0.095 1.00 0.00 C ATOM 0 H MET A 51 7.036 -0.878 -3.017 1.00 0.00 H new ATOM 0 HA MET A 51 7.647 0.008 -0.268 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.905 1.651 -2.078 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.360 0.824 -2.096 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.350 2.872 -0.689 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.918 1.427 0.203 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.083 3.442 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.319 2.834 -1.059 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.667 4.280 -0.251 1.00 0.00 H new ATOM 789 N ASP A 52 5.386 -0.843 0.760 1.00 0.00 N ATOM 790 CA ASP A 52 4.398 -1.671 1.442 1.00 0.00 C ATOM 791 C ASP A 52 3.683 -0.879 2.531 1.00 0.00 C ATOM 792 O ASP A 52 4.227 0.085 3.072 1.00 0.00 O ATOM 793 CB ASP A 52 5.068 -2.905 2.049 1.00 0.00 C ATOM 794 CG ASP A 52 6.204 -2.545 2.987 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.324 -2.298 2.494 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.972 -2.511 4.214 1.00 0.00 O ATOM 0 H ASP A 52 5.656 -0.002 1.270 1.00 0.00 H new ATOM 0 HA ASP A 52 3.660 -1.991 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.324 -3.489 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.449 -3.539 1.248 1.00 0.00 H new ATOM 801 N PHE A 53 2.459 -1.289 2.848 1.00 0.00 N ATOM 802 CA PHE A 53 1.668 -0.616 3.872 1.00 0.00 C ATOM 803 C PHE A 53 2.396 -0.621 5.213 1.00 0.00 C ATOM 804 O PHE A 53 2.435 0.390 5.914 1.00 0.00 O ATOM 805 CB PHE A 53 0.303 -1.292 4.017 1.00 0.00 C ATOM 806 CG PHE A 53 -0.658 -0.945 2.917 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.816 0.369 2.506 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.403 -1.932 2.292 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.701 0.691 1.494 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.289 -1.616 1.279 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.437 -0.302 0.879 1.00 0.00 C ATOM 0 H PHE A 53 1.993 -2.084 2.410 1.00 0.00 H new ATOM 0 HA PHE A 53 1.523 0.419 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.442 -2.373 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.135 -1.007 4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.241 1.150 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.290 -2.961 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.817 1.719 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.864 -2.395 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.127 -0.052 0.087 1.00 0.00 H new ATOM 821 N SER A 54 2.971 -1.767 5.563 1.00 0.00 N ATOM 822 CA SER A 54 3.694 -1.906 6.822 1.00 0.00 C ATOM 823 C SER A 54 4.827 -0.888 6.912 1.00 0.00 C ATOM 824 O SER A 54 5.202 -0.453 8.002 1.00 0.00 O ATOM 825 CB SER A 54 4.254 -3.323 6.959 1.00 0.00 C ATOM 826 OG SER A 54 3.326 -4.178 7.602 1.00 0.00 O ATOM 0 H SER A 54 2.950 -2.612 4.993 1.00 0.00 H new ATOM 0 HA SER A 54 2.995 -1.719 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.495 -3.719 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.183 -3.297 7.528 1.00 0.00 H new ATOM 0 HG SER A 54 2.616 -4.423 6.972 1.00 0.00 H new ATOM 832 N THR A 55 5.370 -0.512 5.759 1.00 0.00 N ATOM 833 CA THR A 55 6.461 0.453 5.706 1.00 0.00 C ATOM 834 C THR A 55 5.930 1.882 5.671 1.00 0.00 C ATOM 835 O THR A 55 6.311 2.716 6.493 1.00 0.00 O ATOM 836 CB THR A 55 7.358 0.221 4.476 1.00 0.00 C ATOM 837 OG1 THR A 55 7.948 -1.083 4.539 1.00 0.00 O ATOM 838 CG2 THR A 55 8.452 1.275 4.397 1.00 0.00 C ATOM 0 H THR A 55 5.072 -0.861 4.848 1.00 0.00 H new ATOM 0 HA THR A 55 7.053 0.310 6.610 1.00 0.00 H new ATOM 0 HB THR A 55 6.738 0.296 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.168 -1.387 3.634 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.073 1.090 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.000 2.264 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.069 1.227 5.295 1.00 0.00 H new ATOM 846 N ILE A 56 5.049 2.157 4.715 1.00 0.00 N ATOM 847 CA ILE A 56 4.465 3.485 4.575 1.00 0.00 C ATOM 848 C ILE A 56 3.916 3.987 5.906 1.00 0.00 C ATOM 849 O ILE A 56 4.036 5.168 6.232 1.00 0.00 O ATOM 850 CB ILE A 56 3.334 3.495 3.529 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.878 3.105 2.153 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.675 4.865 3.475 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.798 2.788 1.143 1.00 0.00 C ATOM 0 H ILE A 56 4.724 1.478 4.026 1.00 0.00 H new ATOM 0 HA ILE A 56 5.264 4.148 4.241 1.00 0.00 H new ATOM 0 HB ILE A 56 2.582 2.763 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.494 3.919 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.529 2.237 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.878 4.856 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.257 5.106 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.417 5.615 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.257 2.520 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.196 1.954 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.161 3.662 1.005 1.00 0.00 H new ATOM 865 N ARG A 57 3.314 3.082 6.671 1.00 0.00 N ATOM 866 CA ARG A 57 2.747 3.433 7.967 1.00 0.00 C ATOM 867 C ARG A 57 3.813 4.026 8.884 1.00 0.00 C ATOM 868 O ARG A 57 3.729 5.189 9.278 1.00 0.00 O ATOM 869 CB ARG A 57 2.121 2.202 8.624 1.00 0.00 C ATOM 870 CG ARG A 57 1.010 2.534 9.606 1.00 0.00 C ATOM 871 CD ARG A 57 1.567 3.045 10.926 1.00 0.00 C ATOM 872 NE ARG A 57 2.267 1.998 11.666 1.00 0.00 N ATOM 873 CZ ARG A 57 2.572 2.089 12.955 1.00 0.00 C ATOM 874 NH1 ARG A 57 2.241 3.172 13.644 1.00 0.00 N ATOM 875 NH2 ARG A 57 3.210 1.094 13.559 1.00 0.00 N ATOM 0 H ARG A 57 3.207 2.100 6.415 1.00 0.00 H new ATOM 0 HA ARG A 57 1.973 4.183 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.724 1.548 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.899 1.643 9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.352 3.287 9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.404 1.646 9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.250 3.873 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.753 3.437 11.535 1.00 0.00 H new ATOM 0 HE ARG A 57 2.536 1.151 11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.750 3.939 13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.477 3.238 14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.466 0.259 13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.444 1.165 14.549 1.00 0.00 H new ATOM 889 N GLU A 58 4.813 3.217 9.220 1.00 0.00 N ATOM 890 CA GLU A 58 5.894 3.662 10.092 1.00 0.00 C ATOM 891 C GLU A 58 6.430 5.019 9.646 1.00 0.00 C ATOM 892 O GLU A 58 6.757 5.873 10.470 1.00 0.00 O ATOM 893 CB GLU A 58 7.027 2.633 10.103 1.00 0.00 C ATOM 894 CG GLU A 58 6.579 1.240 10.514 1.00 0.00 C ATOM 895 CD GLU A 58 7.693 0.435 11.155 1.00 0.00 C ATOM 896 OE1 GLU A 58 8.382 0.979 12.043 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.876 -0.738 10.768 1.00 0.00 O ATOM 0 H GLU A 58 4.897 2.251 8.902 1.00 0.00 H new ATOM 0 HA GLU A 58 5.494 3.763 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.472 2.584 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.807 2.971 10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.746 1.321 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.209 0.708 9.638 1.00 0.00 H new ATOM 904 N LYS A 59 6.518 5.211 8.334 1.00 0.00 N ATOM 905 CA LYS A 59 7.013 6.464 7.775 1.00 0.00 C ATOM 906 C LYS A 59 6.007 7.590 7.989 1.00 0.00 C ATOM 907 O LYS A 59 6.383 8.722 8.299 1.00 0.00 O ATOM 908 CB LYS A 59 7.302 6.301 6.281 1.00 0.00 C ATOM 909 CG LYS A 59 8.483 5.393 5.986 1.00 0.00 C ATOM 910 CD LYS A 59 8.433 4.857 4.565 1.00 0.00 C ATOM 911 CE LYS A 59 8.698 5.955 3.546 1.00 0.00 C ATOM 912 NZ LYS A 59 8.743 5.422 2.156 1.00 0.00 N ATOM 0 H LYS A 59 6.253 4.515 7.638 1.00 0.00 H new ATOM 0 HA LYS A 59 7.937 6.723 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.415 5.901 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.492 7.283 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.412 5.943 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.488 4.561 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.172 4.064 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.456 4.412 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.919 6.714 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.644 6.445 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.807 6.212 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.574 4.806 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.879 4.874 1.966 1.00 0.00 H new ATOM 926 N LEU A 60 4.727 7.274 7.823 1.00 0.00 N ATOM 927 CA LEU A 60 3.666 8.260 7.999 1.00 0.00 C ATOM 928 C LEU A 60 3.681 8.827 9.415 1.00 0.00 C ATOM 929 O LEU A 60 3.828 10.034 9.609 1.00 0.00 O ATOM 930 CB LEU A 60 2.304 7.630 7.703 1.00 0.00 C ATOM 931 CG LEU A 60 1.241 8.568 7.131 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.129 7.910 7.170 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.224 9.884 7.895 1.00 0.00 C ATOM 0 H LEU A 60 4.399 6.343 7.567 1.00 0.00 H new ATOM 0 HA LEU A 60 3.841 9.077 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.451 6.809 7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.919 7.196 8.626 1.00 0.00 H new ATOM 0 HG LEU A 60 1.491 8.777 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.872 8.593 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.110 6.995 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.388 7.670 8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.461 10.539 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.999 9.693 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.199 10.364 7.815 1.00 0.00 H new ATOM 945 N SER A 61 3.528 7.949 10.401 1.00 0.00 N ATOM 946 CA SER A 61 3.522 8.363 11.799 1.00 0.00 C ATOM 947 C SER A 61 4.842 9.031 12.174 1.00 0.00 C ATOM 948 O SER A 61 4.860 10.053 12.859 1.00 0.00 O ATOM 949 CB SER A 61 3.271 7.158 12.708 1.00 0.00 C ATOM 950 OG SER A 61 3.360 7.523 14.074 1.00 0.00 O ATOM 0 H SER A 61 3.407 6.946 10.258 1.00 0.00 H new ATOM 0 HA SER A 61 2.718 9.086 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.284 6.743 12.503 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.998 6.376 12.489 1.00 0.00 H new ATOM 0 HG SER A 61 3.194 6.736 14.634 1.00 0.00 H new ATOM 956 N SER A 62 5.945 8.445 11.719 1.00 0.00 N ATOM 957 CA SER A 62 7.270 8.980 12.009 1.00 0.00 C ATOM 958 C SER A 62 7.403 10.409 11.492 1.00 0.00 C ATOM 959 O SER A 62 8.263 11.166 11.941 1.00 0.00 O ATOM 960 CB SER A 62 8.349 8.095 11.381 1.00 0.00 C ATOM 961 OG SER A 62 8.663 6.999 12.223 1.00 0.00 O ATOM 0 H SER A 62 5.947 7.600 11.148 1.00 0.00 H new ATOM 0 HA SER A 62 7.403 8.990 13.091 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.005 7.728 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.247 8.685 11.197 1.00 0.00 H new ATOM 0 HG SER A 62 8.140 6.216 11.950 1.00 0.00 H new ATOM 967 N GLY A 63 6.546 10.771 10.543 1.00 0.00 N ATOM 968 CA GLY A 63 6.584 12.108 9.979 1.00 0.00 C ATOM 969 C GLY A 63 7.541 12.217 8.809 1.00 0.00 C ATOM 970 O GLY A 63 8.259 13.208 8.677 1.00 0.00 O ATOM 0 H GLY A 63 5.826 10.162 10.154 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.583 12.390 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.879 12.817 10.753 1.00 0.00 H new ATOM 974 N GLN A 64 7.553 11.195 7.959 1.00 0.00 N ATOM 975 CA GLN A 64 8.431 11.180 6.796 1.00 0.00 C ATOM 976 C GLN A 64 7.823 11.972 5.643 1.00 0.00 C ATOM 977 O GLN A 64 8.537 12.610 4.870 1.00 0.00 O ATOM 978 CB GLN A 64 8.702 9.740 6.353 1.00 0.00 C ATOM 979 CG GLN A 64 9.347 8.884 7.431 1.00 0.00 C ATOM 980 CD GLN A 64 10.834 9.143 7.571 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.298 10.269 7.392 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.589 8.100 7.892 1.00 0.00 N ATOM 0 H GLN A 64 6.965 10.367 8.054 1.00 0.00 H new ATOM 0 HA GLN A 64 9.373 11.650 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.762 9.279 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.349 9.754 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.857 9.078 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.186 7.831 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.161 7.184 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.597 8.214 8.000 1.00 0.00 H new ATOM 991 N TYR A 65 6.500 11.927 5.535 1.00 0.00 N ATOM 992 CA TYR A 65 5.795 12.639 4.475 1.00 0.00 C ATOM 993 C TYR A 65 5.548 14.092 4.866 1.00 0.00 C ATOM 994 O TYR A 65 4.761 14.396 5.762 1.00 0.00 O ATOM 995 CB TYR A 65 4.465 11.949 4.166 1.00 0.00 C ATOM 996 CG TYR A 65 4.613 10.495 3.778 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.368 10.124 2.672 1.00 0.00 C ATOM 998 CD2 TYR A 65 3.995 9.493 4.515 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.506 8.797 2.313 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.128 8.163 4.165 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.884 7.821 3.063 1.00 0.00 C ATOM 1002 OH TYR A 65 5.017 6.497 2.710 1.00 0.00 O ATOM 0 H TYR A 65 5.894 11.405 6.168 1.00 0.00 H new ATOM 0 HA TYR A 65 6.421 12.623 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.817 12.019 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.967 12.483 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.856 10.886 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.400 9.758 5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.097 8.526 1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.643 7.396 4.751 1.00 0.00 H new ATOM 0 HH TYR A 65 5.516 6.431 1.869 1.00 0.00 H new ATOM 1012 N PRO A 66 6.238 15.014 4.177 1.00 0.00 N ATOM 1013 CA PRO A 66 6.110 16.452 4.433 1.00 0.00 C ATOM 1014 C PRO A 66 4.755 17.000 4.000 1.00 0.00 C ATOM 1015 O PRO A 66 4.296 18.021 4.510 1.00 0.00 O ATOM 1016 CB PRO A 66 7.229 17.063 3.586 1.00 0.00 C ATOM 1017 CG PRO A 66 7.461 16.076 2.494 1.00 0.00 C ATOM 1018 CD PRO A 66 7.194 14.724 3.096 1.00 0.00 C ATOM 0 HA PRO A 66 6.184 16.685 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.937 18.034 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.132 17.219 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.798 16.265 1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.482 16.142 2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.775 14.034 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.107 14.267 3.479 1.00 0.00 H new ATOM 1026 N ASN A 67 4.119 16.314 3.055 1.00 0.00 N ATOM 1027 CA ASN A 67 2.815 16.733 2.554 1.00 0.00 C ATOM 1028 C ASN A 67 2.035 15.542 2.006 1.00 0.00 C ATOM 1029 O ASN A 67 2.484 14.399 2.091 1.00 0.00 O ATOM 1030 CB ASN A 67 2.981 17.794 1.463 1.00 0.00 C ATOM 1031 CG ASN A 67 4.145 18.727 1.737 1.00 0.00 C ATOM 1032 OD1 ASN A 67 3.966 19.819 2.276 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.346 18.299 1.365 1.00 0.00 N ATOM 0 H ASN A 67 4.485 15.467 2.621 1.00 0.00 H new ATOM 0 HA ASN A 67 2.254 17.161 3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.131 17.303 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.063 18.376 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.167 18.883 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.447 17.386 0.921 1.00 0.00 H new ATOM 1040 N LEU A 68 0.864 15.818 1.442 1.00 0.00 N ATOM 1041 CA LEU A 68 0.020 14.770 0.879 1.00 0.00 C ATOM 1042 C LEU A 68 0.660 14.166 -0.367 1.00 0.00 C ATOM 1043 O LEU A 68 0.767 12.947 -0.493 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.362 15.329 0.536 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.091 16.056 1.666 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.236 16.890 1.113 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.602 15.062 2.698 1.00 0.00 C ATOM 0 H LEU A 68 0.478 16.759 1.363 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.088 13.985 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.256 16.017 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.990 14.506 0.195 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.385 16.726 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.743 17.400 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.844 17.628 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.943 16.241 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.118 15.598 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.293 14.366 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.762 14.509 3.118 1.00 0.00 H new ATOM 1059 N GLU A 69 1.087 15.029 -1.284 1.00 0.00 N ATOM 1060 CA GLU A 69 1.718 14.580 -2.520 1.00 0.00 C ATOM 1061 C GLU A 69 2.593 13.356 -2.270 1.00 0.00 C ATOM 1062 O GLU A 69 2.326 12.270 -2.787 1.00 0.00 O ATOM 1063 CB GLU A 69 2.558 15.706 -3.128 1.00 0.00 C ATOM 1064 CG GLU A 69 3.140 15.364 -4.489 1.00 0.00 C ATOM 1065 CD GLU A 69 4.393 16.157 -4.804 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.529 17.283 -4.281 1.00 0.00 O ATOM 1067 OE2 GLU A 69 5.238 15.653 -5.573 1.00 0.00 O ATOM 0 H GLU A 69 1.008 16.042 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 69 0.930 14.305 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.940 16.599 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.372 15.950 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.370 14.299 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.391 15.554 -5.258 1.00 0.00 H new ATOM 1074 N THR A 70 3.642 13.537 -1.473 1.00 0.00 N ATOM 1075 CA THR A 70 4.558 12.449 -1.155 1.00 0.00 C ATOM 1076 C THR A 70 3.798 11.194 -0.741 1.00 0.00 C ATOM 1077 O THR A 70 3.935 10.141 -1.363 1.00 0.00 O ATOM 1078 CB THR A 70 5.528 12.844 -0.026 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.793 13.297 1.117 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.480 13.937 -0.488 1.00 0.00 C ATOM 0 H THR A 70 3.878 14.428 -1.036 1.00 0.00 H new ATOM 0 HA THR A 70 5.130 12.242 -2.060 1.00 0.00 H new ATOM 0 HB THR A 70 6.113 11.964 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.515 14.227 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.155 14.199 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.059 13.579 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.908 14.817 -0.783 1.00 0.00 H new ATOM 1088 N PHE A 71 2.997 11.314 0.312 1.00 0.00 N ATOM 1089 CA PHE A 71 2.215 10.187 0.809 1.00 0.00 C ATOM 1090 C PHE A 71 1.497 9.476 -0.334 1.00 0.00 C ATOM 1091 O PHE A 71 1.548 8.252 -0.447 1.00 0.00 O ATOM 1092 CB PHE A 71 1.197 10.665 1.847 1.00 0.00 C ATOM 1093 CG PHE A 71 0.299 9.572 2.352 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -0.875 9.258 1.686 1.00 0.00 C ATOM 1095 CD2 PHE A 71 0.629 8.858 3.493 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -1.703 8.253 2.150 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -0.195 7.852 3.961 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.362 7.549 3.288 1.00 0.00 C ATOM 0 H PHE A 71 2.872 12.179 0.838 1.00 0.00 H new ATOM 0 HA PHE A 71 2.900 9.481 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.729 11.106 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.585 11.453 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.146 9.804 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.541 9.090 4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.616 8.019 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.073 7.304 4.852 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.007 6.763 3.651 1.00 0.00 H new ATOM 1108 N ALA A 72 0.830 10.254 -1.180 1.00 0.00 N ATOM 1109 CA ALA A 72 0.103 9.700 -2.316 1.00 0.00 C ATOM 1110 C ALA A 72 1.045 8.970 -3.267 1.00 0.00 C ATOM 1111 O ALA A 72 0.798 7.823 -3.642 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.644 10.802 -3.052 1.00 0.00 C ATOM 0 H ALA A 72 0.778 11.270 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.619 8.977 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.182 10.374 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.353 11.277 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.067 11.545 -3.413 1.00 0.00 H new ATOM 1118 N LEU A 73 2.124 9.641 -3.654 1.00 0.00 N ATOM 1119 CA LEU A 73 3.104 9.056 -4.563 1.00 0.00 C ATOM 1120 C LEU A 73 3.459 7.634 -4.139 1.00 0.00 C ATOM 1121 O LEU A 73 3.579 6.738 -4.974 1.00 0.00 O ATOM 1122 CB LEU A 73 4.366 9.918 -4.608 1.00 0.00 C ATOM 1123 CG LEU A 73 4.228 11.275 -5.299 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.419 12.163 -4.974 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.088 11.096 -6.803 1.00 0.00 C ATOM 0 H LEU A 73 2.343 10.591 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 73 2.662 9.019 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.703 10.086 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.150 9.353 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 73 3.326 11.761 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.303 13.124 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.473 12.319 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.335 11.683 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.991 12.072 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.971 10.589 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.202 10.498 -7.017 1.00 0.00 H new ATOM 1137 N ASP A 74 3.625 7.436 -2.836 1.00 0.00 N ATOM 1138 CA ASP A 74 3.963 6.123 -2.299 1.00 0.00 C ATOM 1139 C ASP A 74 2.789 5.160 -2.438 1.00 0.00 C ATOM 1140 O ASP A 74 2.943 4.043 -2.933 1.00 0.00 O ATOM 1141 CB ASP A 74 4.373 6.238 -0.830 1.00 0.00 C ATOM 1142 CG ASP A 74 5.644 7.044 -0.646 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.831 8.034 -1.383 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.452 6.683 0.236 1.00 0.00 O ATOM 0 H ASP A 74 3.531 8.168 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 74 4.802 5.729 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.565 6.704 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.516 5.240 -0.416 1.00 0.00 H new ATOM 1149 N VAL A 75 1.614 5.599 -1.997 1.00 0.00 N ATOM 1150 CA VAL A 75 0.413 4.776 -2.072 1.00 0.00 C ATOM 1151 C VAL A 75 0.162 4.298 -3.498 1.00 0.00 C ATOM 1152 O VAL A 75 0.127 3.097 -3.764 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.826 5.545 -1.575 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.057 4.653 -1.609 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.589 6.087 -0.174 1.00 0.00 C ATOM 0 H VAL A 75 1.469 6.520 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 75 0.580 3.913 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.000 6.389 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.922 5.213 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.235 4.318 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.897 3.787 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.474 6.627 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.389 5.260 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.266 6.763 -0.185 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.011 5.247 -4.413 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.259 4.923 -5.812 1.00 0.00 C ATOM 1167 C ARG A 76 0.775 3.928 -6.331 1.00 0.00 C ATOM 1168 O ARG A 76 0.468 3.076 -7.166 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.233 6.193 -6.664 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.244 7.241 -6.227 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.759 8.648 -6.540 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.712 9.665 -6.104 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.671 10.931 -6.505 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -0.729 11.332 -7.347 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.574 11.797 -6.064 1.00 0.00 N ATOM 0 H ARG A 76 0.016 6.246 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.246 4.466 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.766 6.626 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.425 5.927 -7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.195 7.063 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.427 7.148 -5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.201 8.818 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.592 8.744 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.450 9.388 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.034 10.668 -7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.699 12.304 -7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.300 11.491 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.542 12.769 -6.372 1.00 0.00 H new ATOM 1189 N LEU A 77 2.000 4.043 -5.833 1.00 0.00 N ATOM 1190 CA LEU A 77 3.081 3.154 -6.246 1.00 0.00 C ATOM 1191 C LEU A 77 2.851 1.739 -5.725 1.00 0.00 C ATOM 1192 O LEU A 77 3.005 0.763 -6.460 1.00 0.00 O ATOM 1193 CB LEU A 77 4.425 3.684 -5.743 1.00 0.00 C ATOM 1194 CG LEU A 77 5.656 2.859 -6.121 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.137 3.227 -7.516 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.767 3.061 -5.101 1.00 0.00 C ATOM 0 H LEU A 77 2.271 4.743 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 77 3.096 3.122 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.560 4.696 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.381 3.756 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 77 5.378 1.805 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.014 2.630 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.344 3.030 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.398 4.285 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.635 2.466 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.044 4.115 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.419 2.747 -4.117 1.00 0.00 H new ATOM 1208 N VAL A 78 2.481 1.635 -4.453 1.00 0.00 N ATOM 1209 CA VAL A 78 2.227 0.340 -3.834 1.00 0.00 C ATOM 1210 C VAL A 78 1.393 -0.552 -4.747 1.00 0.00 C ATOM 1211 O VAL A 78 1.747 -1.704 -5.001 1.00 0.00 O ATOM 1212 CB VAL A 78 1.500 0.495 -2.485 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.026 -0.857 -1.974 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.407 1.171 -1.467 1.00 0.00 C ATOM 0 H VAL A 78 2.350 2.433 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 78 3.198 -0.125 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 78 0.624 1.126 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.515 -0.727 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.339 -1.299 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.884 -1.516 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.878 1.273 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.302 0.567 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.691 2.158 -1.832 1.00 0.00 H new ATOM 1224 N PHE A 79 0.284 -0.012 -5.240 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.602 -0.758 -6.127 1.00 0.00 C ATOM 1226 C PHE A 79 0.021 -0.917 -7.511 1.00 0.00 C ATOM 1227 O PHE A 79 -0.172 -1.934 -8.177 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.955 -0.054 -6.241 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.501 0.414 -4.923 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.585 -0.452 -3.845 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.929 1.722 -4.761 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.087 -0.023 -2.631 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.432 2.157 -3.549 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.510 1.283 -2.483 1.00 0.00 C ATOM 0 H PHE A 79 -0.023 0.940 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.752 -1.750 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.855 0.802 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.672 -0.734 -6.701 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.254 -1.474 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.869 2.410 -5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.148 -0.709 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.763 3.179 -3.436 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.901 1.620 -1.535 1.00 0.00 H new ATOM 1244 N ASP A 80 0.768 0.096 -7.936 1.00 0.00 N ATOM 1245 CA ASP A 80 1.420 0.071 -9.240 1.00 0.00 C ATOM 1246 C ASP A 80 2.411 -1.085 -9.330 1.00 0.00 C ATOM 1247 O ASP A 80 2.219 -2.021 -10.105 1.00 0.00 O ATOM 1248 CB ASP A 80 2.138 1.396 -9.501 1.00 0.00 C ATOM 1249 CG ASP A 80 3.072 1.323 -10.693 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.610 1.577 -11.824 1.00 0.00 O ATOM 1251 OD2 ASP A 80 4.265 1.011 -10.494 1.00 0.00 O ATOM 0 H ASP A 80 0.937 0.945 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 80 0.652 -0.073 -10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.399 2.179 -9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.706 1.679 -8.615 1.00 0.00 H new ATOM 1256 N ASN A 81 3.471 -1.013 -8.531 1.00 0.00 N ATOM 1257 CA ASN A 81 4.493 -2.052 -8.522 1.00 0.00 C ATOM 1258 C ASN A 81 3.862 -3.437 -8.624 1.00 0.00 C ATOM 1259 O ASN A 81 4.170 -4.205 -9.537 1.00 0.00 O ATOM 1260 CB ASN A 81 5.336 -1.957 -7.248 1.00 0.00 C ATOM 1261 CG ASN A 81 6.299 -0.786 -7.278 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.494 -0.155 -8.317 1.00 0.00 O ATOM 1263 ND2 ASN A 81 6.907 -0.491 -6.135 1.00 0.00 N ATOM 0 H ASN A 81 3.644 -0.246 -7.882 1.00 0.00 H new ATOM 0 HA ASN A 81 5.137 -1.900 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.676 -1.860 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.897 -2.882 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.566 0.286 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.715 -1.042 -5.298 1.00 0.00 H new ATOM 1270 N CYS A 82 2.977 -3.749 -7.684 1.00 0.00 N ATOM 1271 CA CYS A 82 2.301 -5.042 -7.668 1.00 0.00 C ATOM 1272 C CYS A 82 1.772 -5.396 -9.054 1.00 0.00 C ATOM 1273 O CYS A 82 2.113 -6.439 -9.610 1.00 0.00 O ATOM 1274 CB CYS A 82 1.152 -5.027 -6.659 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.133 -6.257 -6.986 1.00 0.00 S ATOM 0 H CYS A 82 2.711 -3.125 -6.923 1.00 0.00 H new ATOM 0 HA CYS A 82 3.026 -5.800 -7.371 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.557 -5.196 -5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.699 -4.036 -6.655 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.060 -6.168 -6.079 1.00 0.00 H new ATOM 1281 N GLU A 83 0.937 -4.520 -9.605 1.00 0.00 N ATOM 1282 CA GLU A 83 0.359 -4.743 -10.925 1.00 0.00 C ATOM 1283 C GLU A 83 1.436 -5.145 -11.929 1.00 0.00 C ATOM 1284 O GLU A 83 1.179 -5.908 -12.861 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.361 -3.483 -11.410 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.858 -3.580 -12.843 1.00 0.00 C ATOM 1287 CD GLU A 83 0.273 -3.593 -13.853 1.00 0.00 C ATOM 1288 OE1 GLU A 83 1.211 -2.782 -13.705 1.00 0.00 O ATOM 1289 OE2 GLU A 83 0.220 -4.416 -14.791 1.00 0.00 O ATOM 0 H GLU A 83 0.646 -3.650 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.362 -5.557 -10.846 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.208 -3.283 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.316 -2.633 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.452 -4.487 -12.957 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.518 -2.738 -13.053 1.00 0.00 H new ATOM 1296 N THR A 84 2.644 -4.626 -11.733 1.00 0.00 N ATOM 1297 CA THR A 84 3.759 -4.929 -12.621 1.00 0.00 C ATOM 1298 C THR A 84 4.344 -6.304 -12.320 1.00 0.00 C ATOM 1299 O THR A 84 4.395 -7.172 -13.191 1.00 0.00 O ATOM 1300 CB THR A 84 4.874 -3.872 -12.502 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.406 -2.609 -12.989 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.107 -4.297 -13.285 1.00 0.00 C ATOM 0 H THR A 84 2.875 -3.994 -10.967 1.00 0.00 H new ATOM 0 HA THR A 84 3.366 -4.920 -13.637 1.00 0.00 H new ATOM 0 HB THR A 84 5.145 -3.778 -11.450 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.451 -2.673 -13.201 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.881 -3.536 -13.187 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.478 -5.244 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.847 -4.416 -14.337 1.00 0.00 H new ATOM 1310 N PHE A 85 4.784 -6.496 -11.080 1.00 0.00 N ATOM 1311 CA PHE A 85 5.366 -7.767 -10.665 1.00 0.00 C ATOM 1312 C PHE A 85 4.331 -8.886 -10.729 1.00 0.00 C ATOM 1313 O PHE A 85 4.519 -9.880 -11.431 1.00 0.00 O ATOM 1314 CB PHE A 85 5.925 -7.656 -9.245 1.00 0.00 C ATOM 1315 CG PHE A 85 6.732 -8.850 -8.823 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.020 -9.035 -9.298 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.202 -9.788 -7.952 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.766 -10.133 -8.911 1.00 0.00 C ATOM 1319 CE2 PHE A 85 6.943 -10.888 -7.561 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.226 -11.061 -8.043 1.00 0.00 C ATOM 0 H PHE A 85 4.748 -5.788 -10.346 1.00 0.00 H new ATOM 0 HA PHE A 85 6.178 -8.007 -11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.548 -6.764 -9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.098 -7.521 -8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.447 -8.313 -9.979 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.199 -9.659 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.770 -10.265 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.519 -11.611 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.806 -11.921 -7.741 1.00 0.00 H new ATOM 1330 N ASN A 86 3.238 -8.717 -9.992 1.00 0.00 N ATOM 1331 CA ASN A 86 2.173 -9.713 -9.964 1.00 0.00 C ATOM 1332 C ASN A 86 1.372 -9.689 -11.262 1.00 0.00 C ATOM 1333 O ASN A 86 1.257 -8.651 -11.913 1.00 0.00 O ATOM 1334 CB ASN A 86 1.245 -9.464 -8.774 1.00 0.00 C ATOM 1335 CG ASN A 86 1.952 -9.636 -7.443 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.838 -10.678 -6.797 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.687 -8.612 -7.028 1.00 0.00 N ATOM 0 H ASN A 86 3.067 -7.900 -9.406 1.00 0.00 H new ATOM 0 HA ASN A 86 2.631 -10.696 -9.859 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.839 -8.455 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.401 -10.151 -8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.186 -8.669 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.753 -7.768 -7.597 1.00 0.00 H new ATOM 1383 N SER A 90 -4.010 -12.894 -11.089 1.00 0.00 N ATOM 1384 CA SER A 90 -3.478 -13.584 -9.919 1.00 0.00 C ATOM 1385 C SER A 90 -4.098 -13.037 -8.637 1.00 0.00 C ATOM 1386 O SER A 90 -4.476 -11.867 -8.566 1.00 0.00 O ATOM 1387 CB SER A 90 -1.956 -13.439 -9.865 1.00 0.00 C ATOM 1388 OG SER A 90 -1.560 -12.107 -10.140 1.00 0.00 O ATOM 0 HA SER A 90 -3.733 -14.640 -10.003 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.594 -13.733 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.497 -14.114 -10.587 1.00 0.00 H new ATOM 0 HG SER A 90 -2.262 -11.656 -10.654 1.00 0.00 H new ATOM 1394 N ASP A 91 -4.200 -13.893 -7.626 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.774 -13.497 -6.345 1.00 0.00 C ATOM 1396 C ASP A 91 -4.394 -12.060 -6.000 1.00 0.00 C ATOM 1397 O ASP A 91 -5.257 -11.190 -5.886 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.303 -14.442 -5.238 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.597 -15.895 -5.553 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -3.847 -16.492 -6.354 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.577 -16.436 -5.000 1.00 0.00 O ATOM 0 H ASP A 91 -3.893 -14.865 -7.669 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.859 -13.557 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.231 -14.316 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.790 -14.171 -4.301 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.097 -11.820 -5.834 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.604 -10.489 -5.502 1.00 0.00 C ATOM 1408 C ILE A 92 -2.939 -9.488 -6.603 1.00 0.00 C ATOM 1409 O ILE A 92 -3.559 -8.456 -6.350 1.00 0.00 O ATOM 1410 CB ILE A 92 -1.081 -10.494 -5.274 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.746 -11.151 -3.934 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.533 -9.076 -5.327 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.720 -11.071 -3.571 1.00 0.00 C ATOM 0 H ILE A 92 -2.370 -12.529 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.100 -10.190 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.611 -11.074 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.333 -10.675 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.047 -12.198 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.545 -9.096 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.744 -8.641 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.006 -8.474 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.884 -11.557 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.312 -11.572 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.022 -10.026 -3.505 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.526 -9.803 -7.827 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.792 -8.922 -8.949 1.00 0.00 C ATOM 1427 C GLY A 93 -4.178 -8.311 -8.890 1.00 0.00 C ATOM 1428 O GLY A 93 -4.329 -7.091 -8.952 1.00 0.00 O ATOM 0 H GLY A 93 -2.012 -10.652 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.048 -8.126 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.684 -9.480 -9.879 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.193 -9.161 -8.771 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.574 -8.698 -8.707 1.00 0.00 C ATOM 1434 C ARG A 94 -6.775 -7.750 -7.528 1.00 0.00 C ATOM 1435 O ARG A 94 -7.484 -6.750 -7.637 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.528 -9.887 -8.587 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.452 -10.850 -9.761 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.689 -11.731 -9.840 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.737 -11.130 -10.661 1.00 0.00 N ATOM 1440 CZ ARG A 94 -11.028 -11.419 -10.533 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -11.427 -12.297 -9.623 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.922 -10.830 -11.317 1.00 0.00 N ATOM 0 H ARG A 94 -5.085 -10.174 -8.717 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.793 -8.157 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.305 -10.429 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.549 -9.515 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.345 -10.287 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.564 -11.475 -9.663 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.417 -12.702 -10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.073 -11.908 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.463 -10.451 -11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.743 -12.752 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.418 -12.517 -9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.619 -10.155 -12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.912 -11.053 -11.218 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.147 -8.072 -6.402 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.256 -7.249 -5.204 1.00 0.00 C ATOM 1458 C ALA A 95 -5.905 -5.795 -5.503 1.00 0.00 C ATOM 1459 O ALA A 95 -6.521 -4.875 -4.968 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.357 -7.795 -4.105 1.00 0.00 C ATOM 0 H ALA A 95 -5.557 -8.897 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.291 -7.283 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.449 -7.171 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.656 -8.815 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.322 -7.791 -4.446 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.910 -5.596 -6.363 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.494 -4.251 -6.717 1.00 0.00 C ATOM 1468 C GLY A 96 -5.607 -3.453 -7.367 1.00 0.00 C ATOM 1469 O GLY A 96 -5.792 -2.273 -7.066 1.00 0.00 O ATOM 0 H GLY A 96 -4.385 -6.342 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.154 -3.731 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.644 -4.304 -7.397 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.349 -4.096 -8.263 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.449 -3.437 -8.959 1.00 0.00 C ATOM 1475 C HIS A 97 -8.467 -2.886 -7.966 1.00 0.00 C ATOM 1476 O HIS A 97 -8.948 -1.763 -8.114 1.00 0.00 O ATOM 1477 CB HIS A 97 -8.131 -4.413 -9.918 1.00 0.00 C ATOM 1478 CG HIS A 97 -7.312 -4.731 -11.131 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.861 -3.767 -12.008 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.863 -5.914 -11.611 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -6.171 -4.344 -12.976 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -6.156 -5.647 -12.758 1.00 0.00 N ATOM 0 H HIS A 97 -6.209 -5.072 -8.524 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.038 -2.605 -9.531 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.352 -5.338 -9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.085 -3.992 -10.234 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.030 -6.887 -11.173 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.699 -3.837 -13.805 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.695 -6.341 -13.346 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.792 -3.684 -6.954 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.755 -3.276 -5.937 1.00 0.00 C ATOM 1492 C ASN A 98 -9.177 -2.178 -5.051 1.00 0.00 C ATOM 1493 O ASN A 98 -9.863 -1.214 -4.712 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.163 -4.477 -5.081 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.238 -5.319 -5.740 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.981 -4.838 -6.596 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.326 -6.583 -5.344 1.00 0.00 N ATOM 0 H ASN A 98 -8.403 -4.617 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.637 -2.883 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.287 -5.097 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.523 -4.125 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.030 -7.198 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.689 -6.940 -4.631 1.00 0.00 H new ATOM 1504 N MET A 99 -7.910 -2.330 -4.679 1.00 0.00 N ATOM 1505 CA MET A 99 -7.239 -1.350 -3.833 1.00 0.00 C ATOM 1506 C MET A 99 -7.226 0.023 -4.497 1.00 0.00 C ATOM 1507 O MET A 99 -7.788 0.983 -3.970 1.00 0.00 O ATOM 1508 CB MET A 99 -5.807 -1.798 -3.533 1.00 0.00 C ATOM 1509 CG MET A 99 -5.684 -2.633 -2.268 1.00 0.00 C ATOM 1510 SD MET A 99 -5.363 -1.631 -0.804 1.00 0.00 S ATOM 1511 CE MET A 99 -7.025 -1.127 -0.367 1.00 0.00 C ATOM 0 H MET A 99 -7.328 -3.122 -4.950 1.00 0.00 H new ATOM 0 HA MET A 99 -7.792 -1.276 -2.897 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.431 -2.375 -4.378 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.171 -0.917 -3.441 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.603 -3.200 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.879 -3.357 -2.392 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.147 -1.175 0.715 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.197 -0.106 -0.707 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.744 -1.793 -0.843 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.581 0.108 -5.656 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.494 1.365 -6.391 1.00 0.00 C ATOM 1523 C ARG A 100 -7.858 2.044 -6.470 1.00 0.00 C ATOM 1524 O ARG A 100 -8.039 3.157 -5.976 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.952 1.119 -7.800 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.381 2.364 -8.458 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.068 2.124 -9.927 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.252 0.929 -10.125 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.566 0.684 -11.235 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -3.597 1.546 -12.242 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.846 -0.426 -11.340 1.00 0.00 N ATOM 0 H ARG A 100 -6.111 -0.678 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.810 2.024 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.176 0.355 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.753 0.723 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.093 3.185 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.474 2.669 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.999 2.023 -10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.546 2.991 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.207 0.245 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.149 2.400 -12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.069 1.355 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.819 -1.092 -10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.319 -0.613 -12.193 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.815 1.367 -7.096 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.163 1.903 -7.240 1.00 0.00 C ATOM 1547 C LYS A 101 -10.660 2.488 -5.922 1.00 0.00 C ATOM 1548 O LYS A 101 -11.234 3.577 -5.892 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.121 0.809 -7.718 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.970 0.471 -9.191 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.067 -0.470 -9.662 1.00 0.00 C ATOM 1552 CE LYS A 101 -11.587 -1.362 -10.797 1.00 0.00 C ATOM 1553 NZ LYS A 101 -11.720 -0.694 -12.121 1.00 0.00 N ATOM 0 H LYS A 101 -8.681 0.445 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.132 2.700 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.954 -0.092 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.146 1.128 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.998 1.388 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.997 0.011 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.400 -1.088 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.928 0.110 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.545 -1.633 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.161 -2.289 -10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.383 -1.334 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.718 -0.458 -12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.152 0.177 -12.129 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.435 1.759 -4.834 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.861 2.205 -3.513 1.00 0.00 C ATOM 1569 C TYR A 102 -10.041 3.406 -3.053 1.00 0.00 C ATOM 1570 O TYR A 102 -10.554 4.305 -2.388 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.730 1.066 -2.501 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.206 1.432 -1.113 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.529 1.236 -0.737 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.333 1.975 -0.178 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.968 1.570 0.530 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.763 2.310 1.091 1.00 0.00 C ATOM 1577 CZ TYR A 102 -12.082 2.106 1.440 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.514 2.440 2.703 1.00 0.00 O ATOM 0 H TYR A 102 -9.960 0.856 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.907 2.506 -3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.300 0.208 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.686 0.756 -2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -13.226 0.816 -1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.300 2.138 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -14.000 1.412 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.071 2.729 1.806 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.250 1.848 2.964 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.762 3.414 -3.414 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.868 4.504 -3.039 1.00 0.00 C ATOM 1590 C PHE A 103 -8.387 5.838 -3.565 1.00 0.00 C ATOM 1591 O PHE A 103 -8.388 6.840 -2.851 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.459 4.244 -3.576 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.532 5.415 -3.417 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.365 6.021 -2.182 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.827 5.910 -4.502 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.512 7.098 -2.032 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.972 6.986 -4.358 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.816 7.582 -3.122 1.00 0.00 C ATOM 0 H PHE A 103 -8.321 2.678 -3.966 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.831 4.552 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.035 3.383 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.524 3.983 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.908 5.647 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.947 5.450 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.390 7.560 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.426 7.361 -5.211 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.151 8.425 -3.008 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.827 5.842 -4.820 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.348 7.054 -5.442 1.00 0.00 C ATOM 1610 C GLU A 104 -10.677 7.462 -4.812 1.00 0.00 C ATOM 1611 O GLU A 104 -10.751 8.442 -4.072 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.528 6.844 -6.947 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.236 6.508 -7.673 1.00 0.00 C ATOM 1614 CD GLU A 104 -8.469 6.070 -9.106 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -9.454 5.343 -9.352 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.666 6.454 -9.982 1.00 0.00 O ATOM 0 H GLU A 104 -8.833 5.021 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.627 7.855 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.246 6.040 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.956 7.747 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.582 7.380 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.717 5.715 -7.135 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.725 6.702 -5.113 1.00 0.00 N ATOM 1624 CA LYS A 105 -13.052 6.982 -4.577 1.00 0.00 C ATOM 1625 C LYS A 105 -12.970 7.401 -3.113 1.00 0.00 C ATOM 1626 O LYS A 105 -13.786 8.189 -2.635 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.950 5.751 -4.717 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.428 6.085 -4.818 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.780 6.652 -6.183 1.00 0.00 C ATOM 1630 CE LYS A 105 -17.000 7.558 -6.114 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.605 7.777 -7.457 1.00 0.00 N ATOM 0 H LYS A 105 -11.681 5.887 -5.725 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.482 7.805 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.651 5.192 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.792 5.097 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.018 5.187 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.693 6.806 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.931 7.212 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.971 5.835 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.742 7.117 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.716 8.518 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.433 8.399 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.905 8.221 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.900 6.864 -7.858 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.979 6.870 -2.404 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.787 7.191 -0.995 1.00 0.00 C ATOM 1647 C LYS A 106 -11.013 8.495 -0.834 1.00 0.00 C ATOM 1648 O LYS A 106 -11.368 9.341 -0.013 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.046 6.054 -0.288 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.654 6.380 1.143 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.869 6.438 2.054 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.492 6.892 3.456 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.447 6.383 4.479 1.00 0.00 N ATOM 0 H LYS A 106 -11.296 6.215 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.769 7.314 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.676 5.165 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.148 5.809 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.958 5.627 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.132 7.337 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.607 7.122 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.337 5.455 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.487 6.544 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.468 7.981 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.146 6.700 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.399 6.750 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.463 5.343 4.452 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.955 8.650 -1.622 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.131 9.852 -1.567 1.00 0.00 C ATOM 1669 C TRP A 107 -9.919 11.073 -2.030 1.00 0.00 C ATOM 1670 O TRP A 107 -10.023 12.068 -1.311 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.881 9.679 -2.431 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.977 10.874 -2.415 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.128 12.024 -3.136 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.783 11.036 -1.642 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.099 12.892 -2.858 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.261 12.309 -1.944 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.105 10.231 -0.724 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.093 12.792 -1.359 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.946 10.711 -0.145 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.450 11.982 -0.463 1.00 0.00 C ATOM 0 H TRP A 107 -9.648 7.959 -2.306 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.829 10.008 -0.531 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.326 8.808 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.184 9.475 -3.458 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.937 12.222 -3.824 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.979 13.819 -3.266 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.480 9.250 -0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.708 13.771 -1.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.413 10.096 0.565 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.542 12.329 0.008 1.00 0.00 H new ATOM 1691 N THR A 108 -10.472 10.993 -3.236 1.00 0.00 N ATOM 1692 CA THR A 108 -11.249 12.091 -3.796 1.00 0.00 C ATOM 1693 C THR A 108 -12.351 12.530 -2.837 1.00 0.00 C ATOM 1694 O THR A 108 -12.787 13.680 -2.863 1.00 0.00 O ATOM 1695 CB THR A 108 -11.883 11.702 -5.145 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.523 12.840 -5.732 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.896 10.582 -4.963 1.00 0.00 C ATOM 0 H THR A 108 -10.396 10.178 -3.844 1.00 0.00 H new ATOM 0 HA THR A 108 -10.557 12.918 -3.954 1.00 0.00 H new ATOM 0 HB THR A 108 -11.091 11.351 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.922 12.585 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.331 10.324 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.400 9.707 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.685 10.911 -4.286 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.796 11.606 -1.993 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.846 11.897 -1.024 1.00 0.00 C ATOM 1707 C ASP A 109 -13.282 12.647 0.179 1.00 0.00 C ATOM 1708 O ASP A 109 -13.966 13.470 0.788 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.520 10.603 -0.565 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.739 10.860 0.299 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.481 11.821 0.006 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -15.950 10.102 1.269 1.00 0.00 O ATOM 0 H ASP A 109 -12.446 10.649 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.588 12.531 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.813 10.020 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.803 10.001 -0.007 1.00 0.00 H new ATOM 1717 N THR A 110 -12.030 12.356 0.518 1.00 0.00 N ATOM 1718 CA THR A 110 -11.375 12.999 1.649 1.00 0.00 C ATOM 1719 C THR A 110 -11.203 14.495 1.407 1.00 0.00 C ATOM 1720 O THR A 110 -11.698 15.319 2.175 1.00 0.00 O ATOM 1721 CB THR A 110 -9.995 12.374 1.930 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.151 11.016 2.357 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.250 13.164 2.996 1.00 0.00 C ATOM 0 H THR A 110 -11.449 11.678 0.024 1.00 0.00 H new ATOM 0 HA THR A 110 -12.018 12.845 2.515 1.00 0.00 H new ATOM 0 HB THR A 110 -9.414 12.400 1.008 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.546 10.488 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.279 12.704 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.108 14.190 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.829 13.165 3.919 1.00 0.00 H new