USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 595 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 Single : A 8 LYS NZ :NH3+ 154:sc= -0.223 (180deg=-1.16) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.28! C(o=-3.3!,f=-8.1!) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc=-0.00721 (180deg=-0.33) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.058 (180deg=-0.058) USER MOD Single : A 37 THR OG1 : rot 140:sc= -0.256 USER MOD Single : A 40 SER OG : rot 64:sc= 1.02 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0629 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -5.64! C(o=-5.6!,f=-12!) USER MOD Single : A 49 MET CE :methyl 172:sc= -4.65! (180deg=-4.87!) USER MOD Single : A 50 MET CE :methyl 155:sc= -7.53! (180deg=-8.29!) USER MOD Single : A 55 THR OG1 : rot -18:sc= -1.88! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 64 GLN : amide:sc= -0.0736 X(o=-0.074,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 77:sc= 1.05 USER MOD Single : A 73 ASN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.338 -10.220 -0.080 1.00 16.66 N ATOM 86 CA ASP A 7 -1.910 -11.587 -0.239 1.00 16.66 C ATOM 87 C ASP A 7 -2.904 -11.858 0.891 1.00 16.66 C ATOM 88 O ASP A 7 -4.051 -12.183 0.661 1.00 16.66 O ATOM 89 CB ASP A 7 -0.784 -12.622 -0.184 1.00 16.66 C ATOM 90 CG ASP A 7 -0.262 -12.880 -1.599 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.848 -12.357 -2.532 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.717 -13.598 -1.726 1.00 50.00 O ATOM 0 HA ASP A 7 -2.421 -11.656 -1.199 1.00 16.66 H new ATOM 0 HB2 ASP A 7 0.024 -12.263 0.454 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.149 -13.550 0.256 1.00 16.66 H new ATOM 97 N LYS A 8 -2.467 -11.728 2.110 1.00 16.66 N ATOM 98 CA LYS A 8 -3.378 -11.976 3.263 1.00 16.66 C ATOM 99 C LYS A 8 -4.726 -11.304 3.005 1.00 16.66 C ATOM 100 O LYS A 8 -5.766 -11.808 3.382 1.00 16.66 O ATOM 101 CB LYS A 8 -2.758 -11.394 4.532 1.00 16.66 C ATOM 102 CG LYS A 8 -1.823 -12.428 5.161 1.00 16.66 C ATOM 103 CD LYS A 8 -1.589 -12.075 6.632 1.00 16.66 C ATOM 104 CE LYS A 8 -0.469 -12.950 7.195 1.00 50.00 C ATOM 105 NZ LYS A 8 0.783 -12.714 6.421 1.00 50.00 N ATOM 0 H LYS A 8 -1.515 -11.460 2.360 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.525 -13.049 3.385 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.206 -10.484 4.296 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.541 -11.118 5.239 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.258 -13.424 5.080 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.874 -12.449 4.625 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.324 -11.022 6.727 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.505 -12.226 7.203 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.307 -12.719 8.248 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.751 -14.001 7.139 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.606 -12.929 7.019 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.794 -13.329 5.582 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.823 -11.719 6.121 1.00 50.00 H new ATOM 119 N ALA A 9 -4.715 -10.169 2.365 1.00 16.66 N ATOM 120 CA ALA A 9 -5.995 -9.464 2.083 1.00 16.66 C ATOM 121 C ALA A 9 -6.906 -10.391 1.285 1.00 16.66 C ATOM 122 O ALA A 9 -8.080 -10.525 1.570 1.00 16.66 O ATOM 123 CB ALA A 9 -5.715 -8.196 1.275 1.00 16.66 C ATOM 0 H ALA A 9 -3.876 -9.699 2.025 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.480 -9.190 3.020 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.653 -7.681 1.069 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.058 -7.539 1.845 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.234 -8.463 0.334 1.00 16.66 H new ATOM 129 N GLU A 10 -6.370 -11.036 0.291 1.00 16.66 N ATOM 130 CA GLU A 10 -7.200 -11.965 -0.525 1.00 16.66 C ATOM 131 C GLU A 10 -7.602 -13.162 0.336 1.00 16.66 C ATOM 132 O GLU A 10 -8.731 -13.610 0.312 1.00 16.66 O ATOM 133 CB GLU A 10 -6.393 -12.447 -1.733 1.00 16.66 C ATOM 134 CG GLU A 10 -5.787 -11.242 -2.456 1.00 16.66 C ATOM 135 CD GLU A 10 -5.091 -11.712 -3.735 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.783 -12.888 -3.821 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.878 -10.884 -4.607 1.00 16.66 O ATOM 0 H GLU A 10 -5.393 -10.961 0.007 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.094 -11.449 -0.875 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.603 -13.125 -1.409 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.035 -13.007 -2.413 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.567 -10.520 -2.698 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.074 -10.735 -1.806 1.00 16.66 H new ATOM 144 N ARG A 11 -6.682 -13.677 1.099 1.00 16.66 N ATOM 145 CA ARG A 11 -6.998 -14.842 1.972 1.00 16.66 C ATOM 146 C ARG A 11 -8.008 -14.419 3.038 1.00 16.66 C ATOM 147 O ARG A 11 -8.914 -15.153 3.381 1.00 16.66 O ATOM 148 CB ARG A 11 -5.716 -15.324 2.651 1.00 16.66 C ATOM 149 CG ARG A 11 -4.833 -16.038 1.625 1.00 16.66 C ATOM 150 CD ARG A 11 -3.654 -16.706 2.333 1.00 50.00 C ATOM 151 NE ARG A 11 -3.044 -15.737 3.280 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.750 -15.711 3.457 1.00 50.00 C ATOM 153 NH1 ARG A 11 -0.944 -15.913 2.448 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.259 -15.473 4.643 1.00 50.00 N ATOM 0 H ARG A 11 -5.721 -13.341 1.157 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.420 -15.647 1.370 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.180 -14.478 3.082 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.958 -16.000 3.471 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.416 -16.785 1.086 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.469 -15.325 0.886 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.991 -17.594 2.868 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.914 -17.035 1.603 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.639 -15.088 3.795 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.325 -16.092 1.519 1.00 50.00 H new ATOM 0 HH12 ARG A 11 0.066 -15.892 2.590 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.886 -15.308 5.431 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.249 -15.453 4.782 1.00 50.00 H new ATOM 168 N GLU A 12 -7.858 -13.236 3.562 1.00 16.66 N ATOM 169 CA GLU A 12 -8.801 -12.750 4.602 1.00 16.66 C ATOM 170 C GLU A 12 -10.185 -12.557 3.986 1.00 16.66 C ATOM 171 O GLU A 12 -11.193 -12.892 4.579 1.00 16.66 O ATOM 172 CB GLU A 12 -8.297 -11.417 5.152 1.00 16.66 C ATOM 173 CG GLU A 12 -7.115 -11.663 6.090 1.00 16.66 C ATOM 174 CD GLU A 12 -6.805 -10.383 6.868 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.482 -9.395 6.639 1.00 50.00 O ATOM 176 OE2 GLU A 12 -5.893 -10.413 7.680 1.00 50.00 O ATOM 0 H GLU A 12 -7.117 -12.581 3.312 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.864 -13.480 5.409 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.994 -10.765 4.333 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.098 -10.906 5.686 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.348 -12.473 6.781 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.241 -11.974 5.517 1.00 16.66 H new ATOM 183 N ARG A 13 -10.243 -12.022 2.801 1.00 16.66 N ATOM 184 CA ARG A 13 -11.561 -11.809 2.145 1.00 16.66 C ATOM 185 C ARG A 13 -12.189 -13.164 1.826 1.00 16.66 C ATOM 186 O ARG A 13 -13.374 -13.368 2.000 1.00 16.66 O ATOM 187 CB ARG A 13 -11.369 -11.018 0.850 1.00 16.66 C ATOM 188 CG ARG A 13 -11.189 -9.534 1.179 1.00 16.66 C ATOM 189 CD ARG A 13 -10.322 -8.874 0.105 1.00 16.66 C ATOM 190 NE ARG A 13 -11.157 -7.946 -0.708 1.00 50.00 N ATOM 191 CZ ARG A 13 -10.968 -7.857 -1.997 1.00 50.00 C ATOM 192 NH1 ARG A 13 -9.768 -7.986 -2.491 1.00 50.00 N ATOM 193 NH2 ARG A 13 -11.982 -7.636 -2.790 1.00 50.00 N ATOM 0 H ARG A 13 -9.434 -11.722 2.257 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.215 -11.250 2.814 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.498 -11.390 0.310 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.231 -11.155 0.197 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -12.160 -9.042 1.230 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.722 -9.422 2.158 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.501 -8.328 0.570 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.876 -9.635 -0.536 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.876 -7.380 -0.258 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -8.977 -8.157 -1.870 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -9.621 -7.916 -3.498 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -12.920 -7.533 -2.402 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -11.836 -7.566 -3.797 1.00 50.00 H new ATOM 207 N ILE A 14 -11.401 -14.095 1.372 1.00 16.66 N ATOM 208 CA ILE A 14 -11.949 -15.441 1.051 1.00 16.66 C ATOM 209 C ILE A 14 -12.321 -16.150 2.351 1.00 16.66 C ATOM 210 O ILE A 14 -13.379 -16.738 2.472 1.00 16.66 O ATOM 211 CB ILE A 14 -10.892 -16.257 0.307 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.409 -15.473 -0.915 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.500 -17.585 -0.145 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.998 -15.933 -1.291 1.00 50.00 C ATOM 0 H ILE A 14 -10.400 -13.983 1.209 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.833 -15.339 0.422 1.00 16.66 H new ATOM 0 HB ILE A 14 -10.048 -16.451 0.970 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.089 -15.629 -1.752 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.409 -14.405 -0.699 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.747 -18.168 -0.676 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.843 -18.143 0.726 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.343 -17.392 -0.808 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.653 -15.375 -2.162 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.322 -15.755 -0.455 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -9.013 -16.997 -1.525 1.00 50.00 H new ATOM 226 N PHE A 15 -11.462 -16.095 3.331 1.00 16.66 N ATOM 227 CA PHE A 15 -11.772 -16.761 4.623 1.00 16.66 C ATOM 228 C PHE A 15 -12.976 -16.072 5.265 1.00 16.66 C ATOM 229 O PHE A 15 -13.805 -16.702 5.891 1.00 16.66 O ATOM 230 CB PHE A 15 -10.568 -16.668 5.561 1.00 16.66 C ATOM 231 CG PHE A 15 -10.897 -17.381 6.851 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.498 -16.684 7.906 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.610 -18.744 6.987 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.812 -17.354 9.097 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.921 -19.412 8.177 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.524 -18.718 9.232 1.00 16.66 C ATOM 0 H PHE A 15 -10.561 -15.618 3.292 1.00 16.66 H new ATOM 0 HA PHE A 15 -12.000 -17.812 4.443 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.691 -17.118 5.095 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.324 -15.624 5.759 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.719 -15.632 7.803 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.148 -19.281 6.172 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.276 -16.818 9.911 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.696 -20.463 8.281 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.767 -19.234 10.149 1.00 16.66 H new ATOM 246 N LYS A 16 -13.080 -14.782 5.109 1.00 16.66 N ATOM 247 CA LYS A 16 -14.234 -14.052 5.704 1.00 16.66 C ATOM 248 C LYS A 16 -15.523 -14.499 5.015 1.00 16.66 C ATOM 249 O LYS A 16 -16.583 -14.518 5.609 1.00 16.66 O ATOM 250 CB LYS A 16 -14.046 -12.546 5.508 1.00 50.00 C ATOM 251 CG LYS A 16 -13.149 -11.994 6.618 1.00 50.00 C ATOM 252 CD LYS A 16 -13.027 -10.476 6.467 1.00 50.00 C ATOM 253 CE LYS A 16 -11.980 -9.950 7.451 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.532 -8.773 8.181 1.00 50.00 N ATOM 0 H LYS A 16 -12.416 -14.202 4.596 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.293 -14.272 6.770 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.600 -12.348 4.533 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.013 -12.043 5.524 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.566 -12.241 7.594 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.163 -12.456 6.567 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.742 -10.223 5.446 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -13.990 -10.002 6.656 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.703 -10.733 8.157 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.073 -9.668 6.917 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.821 -8.415 8.850 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -12.775 -8.025 7.500 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.386 -9.057 8.702 1.00 50.00 H new ATOM 268 N ARG A 17 -15.440 -14.870 3.767 1.00 16.66 N ATOM 269 CA ARG A 17 -16.660 -15.325 3.045 1.00 16.66 C ATOM 270 C ARG A 17 -17.075 -16.694 3.584 1.00 16.66 C ATOM 271 O ARG A 17 -18.244 -17.007 3.684 1.00 16.66 O ATOM 272 CB ARG A 17 -16.360 -15.433 1.549 1.00 16.66 C ATOM 273 CG ARG A 17 -16.255 -14.029 0.951 1.00 16.66 C ATOM 274 CD ARG A 17 -16.301 -14.118 -0.576 1.00 50.00 C ATOM 275 NE ARG A 17 -16.050 -12.771 -1.159 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.968 -12.552 -1.856 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.627 -13.377 -2.809 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.225 -11.510 -1.600 1.00 50.00 N ATOM 0 H ARG A 17 -14.581 -14.878 3.217 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.467 -14.608 3.197 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.429 -15.978 1.392 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.148 -15.996 1.048 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.072 -13.406 1.314 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.327 -13.555 1.270 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.553 -14.826 -0.932 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.272 -14.491 -0.900 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.724 -12.019 -1.014 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -15.206 -14.193 -3.009 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.782 -13.206 -3.354 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -14.489 -10.866 -0.855 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.380 -11.340 -2.145 1.00 50.00 H new ATOM 292 N PHE A 18 -16.120 -17.509 3.937 1.00 16.66 N ATOM 293 CA PHE A 18 -16.453 -18.858 4.477 1.00 16.66 C ATOM 294 C PHE A 18 -17.131 -18.704 5.838 1.00 16.66 C ATOM 295 O PHE A 18 -18.176 -19.271 6.091 1.00 16.66 O ATOM 296 CB PHE A 18 -15.171 -19.676 4.634 1.00 16.66 C ATOM 297 CG PHE A 18 -14.774 -20.255 3.297 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.502 -21.319 2.750 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.678 -19.728 2.603 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.132 -21.856 1.511 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.309 -20.264 1.364 1.00 16.66 C ATOM 302 CZ PHE A 18 -14.036 -21.329 0.818 1.00 16.66 C ATOM 0 H PHE A 18 -15.124 -17.300 3.875 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.126 -19.370 3.790 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.370 -19.046 5.021 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.325 -20.477 5.358 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.349 -21.725 3.284 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.117 -18.907 3.024 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.693 -22.677 1.090 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.464 -19.856 0.829 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.751 -21.744 -0.138 1.00 16.66 H new ATOM 312 N ASP A 19 -16.548 -17.937 6.714 1.00 16.66 N ATOM 313 CA ASP A 19 -17.163 -17.741 8.056 1.00 16.66 C ATOM 314 C ASP A 19 -18.592 -17.220 7.873 1.00 16.66 C ATOM 315 O ASP A 19 -18.805 -16.065 7.562 1.00 16.66 O ATOM 316 CB ASP A 19 -16.335 -16.729 8.854 1.00 16.66 C ATOM 317 CG ASP A 19 -16.559 -16.960 10.344 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.320 -17.850 10.667 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.960 -16.249 11.134 1.00 16.66 O ATOM 0 H ASP A 19 -15.672 -17.437 6.560 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.186 -18.686 8.599 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.277 -16.836 8.612 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.623 -15.713 8.584 1.00 16.66 H new ATOM 324 N ALA A 20 -19.572 -18.067 8.040 1.00 16.66 N ATOM 325 CA ALA A 20 -20.988 -17.632 7.848 1.00 16.66 C ATOM 326 C ALA A 20 -21.405 -16.624 8.926 1.00 16.66 C ATOM 327 O ALA A 20 -21.928 -15.572 8.622 1.00 16.66 O ATOM 328 CB ALA A 20 -21.904 -18.855 7.921 1.00 50.00 C ATOM 0 H ALA A 20 -19.453 -19.046 8.302 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.074 -17.151 6.873 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.939 -18.543 7.781 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.630 -19.562 7.138 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.797 -19.332 8.895 1.00 50.00 H new ATOM 334 N ASN A 21 -21.194 -16.928 10.180 1.00 16.66 N ATOM 335 CA ASN A 21 -21.606 -15.963 11.241 1.00 16.66 C ATOM 336 C ASN A 21 -20.472 -14.970 11.501 1.00 16.66 C ATOM 337 O ASN A 21 -20.704 -13.824 11.830 1.00 16.66 O ATOM 338 CB ASN A 21 -21.975 -16.715 12.528 1.00 16.66 C ATOM 339 CG ASN A 21 -20.748 -17.389 13.141 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.823 -17.748 12.438 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.730 -17.574 14.432 1.00 16.66 N ATOM 0 H ASN A 21 -20.761 -17.790 10.512 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.485 -15.412 10.905 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.410 -16.021 13.247 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.735 -17.465 12.310 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.929 -18.028 14.871 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.517 -17.265 15.003 1.00 16.66 H new ATOM 348 N GLY A 22 -19.250 -15.391 11.336 1.00 16.66 N ATOM 349 CA GLY A 22 -18.109 -14.456 11.551 1.00 16.66 C ATOM 350 C GLY A 22 -17.572 -14.590 12.976 1.00 16.66 C ATOM 351 O GLY A 22 -17.131 -13.629 13.574 1.00 16.66 O ATOM 0 H GLY A 22 -18.991 -16.339 11.062 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.315 -14.670 10.835 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.432 -13.430 11.372 1.00 16.66 H new ATOM 355 N ASP A 23 -17.586 -15.772 13.523 1.00 16.66 N ATOM 356 CA ASP A 23 -17.056 -15.946 14.906 1.00 16.66 C ATOM 357 C ASP A 23 -15.558 -16.266 14.837 1.00 16.66 C ATOM 358 O ASP A 23 -14.923 -16.532 15.838 1.00 16.66 O ATOM 359 CB ASP A 23 -17.804 -17.070 15.632 1.00 16.66 C ATOM 360 CG ASP A 23 -17.681 -18.382 14.855 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.254 -18.340 13.718 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.029 -19.409 15.414 1.00 16.66 O ATOM 0 H ASP A 23 -17.938 -16.620 13.078 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.206 -15.022 15.465 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.399 -17.195 16.636 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.855 -16.803 15.743 1.00 16.66 H new ATOM 367 N GLY A 24 -14.985 -16.225 13.662 1.00 16.66 N ATOM 368 CA GLY A 24 -13.526 -16.507 13.527 1.00 16.66 C ATOM 369 C GLY A 24 -13.297 -17.993 13.245 1.00 16.66 C ATOM 370 O GLY A 24 -12.182 -18.423 13.022 1.00 16.66 O ATOM 0 H GLY A 24 -15.466 -16.008 12.789 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.106 -15.908 12.719 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.007 -16.219 14.441 1.00 16.66 H new ATOM 374 N LYS A 25 -14.330 -18.787 13.261 1.00 16.66 N ATOM 375 CA LYS A 25 -14.150 -20.243 13.004 1.00 16.66 C ATOM 376 C LYS A 25 -15.164 -20.718 11.959 1.00 16.66 C ATOM 377 O LYS A 25 -16.307 -20.290 11.936 1.00 16.66 O ATOM 378 CB LYS A 25 -14.345 -21.020 14.313 1.00 50.00 C ATOM 379 CG LYS A 25 -15.822 -21.014 14.712 1.00 50.00 C ATOM 380 CD LYS A 25 -16.081 -22.147 15.708 1.00 50.00 C ATOM 381 CE LYS A 25 -16.482 -21.559 17.062 1.00 50.00 C ATOM 382 NZ LYS A 25 -15.368 -20.719 17.586 1.00 50.00 N ATOM 0 H LYS A 25 -15.290 -18.492 13.441 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.144 -20.421 12.625 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.997 -22.046 14.192 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.745 -20.571 15.104 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.086 -20.055 15.158 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.450 -21.139 13.830 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -16.871 -22.799 15.335 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.187 -22.760 15.817 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.386 -20.959 16.957 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -16.710 -22.360 17.765 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -15.429 -20.669 18.623 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -14.457 -21.141 17.313 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -15.439 -19.761 17.188 1.00 50.00 H new ATOM 396 N ILE A 26 -14.751 -21.611 11.098 1.00 16.66 N ATOM 397 CA ILE A 26 -15.677 -22.134 10.055 1.00 16.66 C ATOM 398 C ILE A 26 -15.996 -23.601 10.345 1.00 16.66 C ATOM 399 O ILE A 26 -15.122 -24.392 10.640 1.00 16.66 O ATOM 400 CB ILE A 26 -15.016 -22.023 8.680 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.316 -20.669 8.558 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.082 -22.145 7.591 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.742 -20.522 7.148 1.00 16.66 C ATOM 0 H ILE A 26 -13.809 -22.001 11.074 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.598 -21.550 10.065 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.284 -22.822 8.564 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.021 -19.863 8.762 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.519 -20.591 9.297 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.612 -22.066 6.611 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.581 -23.110 7.677 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.814 -21.346 7.707 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.242 -19.558 7.057 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.025 -21.321 6.962 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.550 -20.582 6.418 1.00 16.66 H new ATOM 415 N SER A 27 -17.243 -23.969 10.258 1.00 16.66 N ATOM 416 CA SER A 27 -17.627 -25.382 10.523 1.00 16.66 C ATOM 417 C SER A 27 -17.992 -26.047 9.199 1.00 16.66 C ATOM 418 O SER A 27 -18.179 -25.387 8.196 1.00 16.66 O ATOM 419 CB SER A 27 -18.836 -25.416 11.458 1.00 50.00 C ATOM 420 OG SER A 27 -20.024 -25.241 10.702 1.00 50.00 O ATOM 0 H SER A 27 -18.015 -23.349 10.014 1.00 16.66 H new ATOM 0 HA SER A 27 -16.796 -25.911 10.990 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.869 -26.365 11.993 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.751 -24.630 12.209 1.00 50.00 H new ATOM 0 HG SER A 27 -20.799 -25.264 11.301 1.00 50.00 H new ATOM 426 N ALA A 28 -18.100 -27.344 9.179 1.00 16.66 N ATOM 427 CA ALA A 28 -18.457 -28.026 7.909 1.00 16.66 C ATOM 428 C ALA A 28 -19.684 -27.344 7.313 1.00 16.66 C ATOM 429 O ALA A 28 -19.739 -27.061 6.134 1.00 16.66 O ATOM 430 CB ALA A 28 -18.765 -29.500 8.182 1.00 50.00 C ATOM 0 H ALA A 28 -17.958 -27.957 9.982 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.624 -27.964 7.209 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -19.026 -29.996 7.247 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.888 -29.981 8.615 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.600 -29.574 8.878 1.00 50.00 H new ATOM 436 N ALA A 29 -20.672 -27.078 8.117 1.00 16.66 N ATOM 437 CA ALA A 29 -21.896 -26.414 7.594 1.00 16.66 C ATOM 438 C ALA A 29 -21.517 -25.083 6.947 1.00 16.66 C ATOM 439 O ALA A 29 -22.051 -24.707 5.922 1.00 16.66 O ATOM 440 CB ALA A 29 -22.875 -26.165 8.744 1.00 50.00 C ATOM 0 H ALA A 29 -20.685 -27.292 9.114 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.368 -27.057 6.851 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.771 -25.678 8.360 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.146 -27.116 9.203 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.405 -25.523 9.489 1.00 50.00 H new ATOM 446 N GLU A 30 -20.599 -24.365 7.532 1.00 16.66 N ATOM 447 CA GLU A 30 -20.194 -23.063 6.939 1.00 16.66 C ATOM 448 C GLU A 30 -19.302 -23.315 5.727 1.00 16.66 C ATOM 449 O GLU A 30 -19.567 -22.839 4.641 1.00 16.66 O ATOM 450 CB GLU A 30 -19.434 -22.237 7.979 1.00 16.66 C ATOM 451 CG GLU A 30 -20.370 -21.902 9.144 1.00 16.66 C ATOM 452 CD GLU A 30 -19.625 -21.040 10.168 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.591 -21.468 10.628 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.101 -19.969 10.474 1.00 16.66 O ATOM 0 H GLU A 30 -20.114 -24.623 8.391 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.082 -22.513 6.627 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.570 -22.794 8.341 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.056 -21.320 7.526 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.249 -21.371 8.777 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.725 -22.819 9.614 1.00 16.66 H new ATOM 461 N LEU A 31 -18.247 -24.059 5.898 1.00 16.66 N ATOM 462 CA LEU A 31 -17.345 -24.336 4.746 1.00 16.66 C ATOM 463 C LEU A 31 -18.129 -25.094 3.678 1.00 16.66 C ATOM 464 O LEU A 31 -18.026 -24.817 2.499 1.00 16.66 O ATOM 465 CB LEU A 31 -16.158 -25.182 5.213 1.00 16.66 C ATOM 466 CG LEU A 31 -15.304 -25.576 4.005 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.321 -24.450 3.685 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.527 -26.854 4.327 1.00 16.66 C ATOM 0 H LEU A 31 -17.970 -24.486 6.782 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.972 -23.398 4.334 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.557 -24.621 5.929 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.514 -26.075 5.727 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.950 -25.749 3.144 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.713 -24.731 2.825 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -14.874 -23.539 3.457 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.674 -24.276 4.545 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.918 -27.136 3.468 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.881 -26.680 5.188 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -15.227 -27.658 4.555 1.00 16.66 H new ATOM 480 N GLY A 32 -18.922 -26.045 4.084 1.00 16.66 N ATOM 481 CA GLY A 32 -19.723 -26.815 3.099 1.00 16.66 C ATOM 482 C GLY A 32 -20.713 -25.870 2.422 1.00 16.66 C ATOM 483 O GLY A 32 -20.871 -25.877 1.217 1.00 16.66 O ATOM 0 H GLY A 32 -19.049 -26.321 5.058 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -19.069 -27.272 2.356 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.255 -27.626 3.597 1.00 16.66 H new ATOM 487 N GLU A 33 -21.382 -25.056 3.190 1.00 16.66 N ATOM 488 CA GLU A 33 -22.362 -24.111 2.593 1.00 16.66 C ATOM 489 C GLU A 33 -21.665 -23.259 1.538 1.00 16.66 C ATOM 490 O GLU A 33 -22.174 -23.059 0.452 1.00 16.66 O ATOM 491 CB GLU A 33 -22.932 -23.209 3.689 1.00 50.00 C ATOM 492 CG GLU A 33 -24.188 -23.854 4.279 1.00 50.00 C ATOM 493 CD GLU A 33 -25.391 -23.534 3.389 1.00 50.00 C ATOM 494 OE1 GLU A 33 -25.310 -22.574 2.640 1.00 50.00 O ATOM 495 OE2 GLU A 33 -26.371 -24.254 3.471 1.00 50.00 O ATOM 0 H GLU A 33 -21.292 -25.005 4.205 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.174 -24.671 2.128 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.188 -23.054 4.471 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.172 -22.228 3.279 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.055 -24.933 4.354 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -24.360 -23.483 5.289 1.00 50.00 H new ATOM 502 N ALA A 34 -20.495 -22.770 1.834 1.00 16.66 N ATOM 503 CA ALA A 34 -19.767 -21.950 0.830 1.00 16.66 C ATOM 504 C ALA A 34 -19.227 -22.887 -0.246 1.00 16.66 C ATOM 505 O ALA A 34 -19.251 -22.585 -1.424 1.00 16.66 O ATOM 506 CB ALA A 34 -18.608 -21.216 1.506 1.00 50.00 C ATOM 0 H ALA A 34 -20.013 -22.902 2.723 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.436 -21.212 0.387 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -18.077 -20.616 0.767 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.997 -20.566 2.290 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.923 -21.942 1.944 1.00 50.00 H new ATOM 512 N LEU A 35 -18.744 -24.029 0.155 1.00 99.99 N ATOM 513 CA LEU A 35 -18.203 -25.002 -0.829 1.00 99.99 C ATOM 514 C LEU A 35 -19.300 -25.390 -1.821 1.00 99.99 C ATOM 515 O LEU A 35 -19.030 -25.703 -2.963 1.00 99.99 O ATOM 516 CB LEU A 35 -17.713 -26.251 -0.093 1.00 99.99 C ATOM 517 CG LEU A 35 -16.212 -26.129 0.174 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.795 -27.160 1.225 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.442 -26.383 -1.124 1.00 99.99 C ATOM 0 H LEU A 35 -18.701 -24.331 1.128 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.372 -24.549 -1.369 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.252 -26.367 0.847 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.916 -27.141 -0.689 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.988 -25.127 0.540 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.725 -27.073 1.415 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.344 -26.980 2.149 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.018 -28.162 0.860 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.372 -26.296 -0.935 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.666 -27.385 -1.490 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.739 -25.649 -1.873 1.00 99.99 H new ATOM 531 N LYS A 36 -20.538 -25.373 -1.400 1.00 99.99 N ATOM 532 CA LYS A 36 -21.644 -25.741 -2.331 1.00 99.99 C ATOM 533 C LYS A 36 -21.434 -25.048 -3.679 1.00 99.99 C ATOM 534 O LYS A 36 -21.909 -25.501 -4.702 1.00 99.99 O ATOM 535 CB LYS A 36 -22.980 -25.291 -1.734 1.00 99.99 C ATOM 536 CG LYS A 36 -23.925 -26.489 -1.635 1.00 99.99 C ATOM 537 CD LYS A 36 -25.030 -26.185 -0.620 1.00 99.99 C ATOM 538 CE LYS A 36 -25.126 -27.332 0.388 1.00 99.99 C ATOM 539 NZ LYS A 36 -24.403 -26.959 1.637 1.00 99.99 N ATOM 0 H LYS A 36 -20.830 -25.121 -0.456 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.650 -26.821 -2.476 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.821 -24.857 -0.747 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.425 -24.514 -2.356 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.361 -26.703 -2.611 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.372 -27.378 -1.331 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.816 -25.249 -0.103 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.984 -26.056 -1.132 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -26.171 -27.548 0.611 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -24.697 -28.240 -0.036 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -24.468 -27.739 2.322 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -23.403 -26.774 1.417 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -24.832 -26.104 2.044 1.00 99.99 H new ATOM 553 N THR A 37 -20.724 -23.954 -3.690 1.00 99.99 N ATOM 554 CA THR A 37 -20.482 -23.234 -4.969 1.00 99.99 C ATOM 555 C THR A 37 -19.940 -24.218 -6.005 1.00 99.99 C ATOM 556 O THR A 37 -20.071 -24.020 -7.196 1.00 99.99 O ATOM 557 CB THR A 37 -19.460 -22.117 -4.738 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.449 -21.248 -5.862 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.069 -22.723 -4.546 1.00 99.99 C ATOM 0 H THR A 37 -20.301 -23.528 -2.866 1.00 99.99 H new ATOM 0 HA THR A 37 -21.415 -22.801 -5.330 1.00 99.99 H new ATOM 0 HB THR A 37 -19.733 -21.555 -3.845 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.371 -20.320 -5.557 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.344 -21.926 -4.382 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.078 -23.388 -3.683 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.792 -23.287 -5.436 1.00 99.99 H new ATOM 567 N LEU A 38 -19.333 -25.281 -5.556 1.00 16.66 N ATOM 568 CA LEU A 38 -18.783 -26.283 -6.510 1.00 16.66 C ATOM 569 C LEU A 38 -19.927 -26.884 -7.325 1.00 16.66 C ATOM 570 O LEU A 38 -19.847 -27.012 -8.530 1.00 16.66 O ATOM 571 CB LEU A 38 -18.071 -27.392 -5.732 1.00 50.00 C ATOM 572 CG LEU A 38 -16.770 -26.846 -5.140 1.00 50.00 C ATOM 573 CD1 LEU A 38 -16.503 -27.513 -3.789 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.613 -27.146 -6.093 1.00 50.00 C ATOM 0 H LEU A 38 -19.194 -25.499 -4.569 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.072 -25.799 -7.180 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.716 -27.765 -4.937 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.858 -28.234 -6.391 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.858 -25.768 -5.001 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.576 -27.124 -3.368 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -17.328 -27.301 -3.109 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -16.414 -28.591 -3.926 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.685 -26.758 -5.673 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.526 -28.224 -6.231 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -15.802 -26.671 -7.056 1.00 50.00 H new ATOM 586 N GLY A 39 -20.993 -27.250 -6.672 1.00 16.66 N ATOM 587 CA GLY A 39 -22.151 -27.843 -7.400 1.00 16.66 C ATOM 588 C GLY A 39 -21.968 -29.357 -7.516 1.00 16.66 C ATOM 589 O GLY A 39 -22.919 -30.111 -7.476 1.00 16.66 O ATOM 0 H GLY A 39 -21.114 -27.164 -5.663 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.078 -27.619 -6.872 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.234 -27.400 -8.393 1.00 16.66 H new ATOM 593 N SER A 40 -20.754 -29.809 -7.662 1.00 16.66 N ATOM 594 CA SER A 40 -20.514 -31.274 -7.784 1.00 16.66 C ATOM 595 C SER A 40 -19.672 -31.756 -6.602 1.00 16.66 C ATOM 596 O SER A 40 -18.657 -32.403 -6.775 1.00 16.66 O ATOM 597 CB SER A 40 -19.772 -31.562 -9.089 1.00 16.66 C ATOM 598 OG SER A 40 -18.381 -31.354 -8.900 1.00 16.66 O ATOM 0 H SER A 40 -19.917 -29.227 -7.702 1.00 16.66 H new ATOM 0 HA SER A 40 -21.470 -31.798 -7.785 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.957 -32.588 -9.406 1.00 16.66 H new ATOM 0 HB3 SER A 40 -20.143 -30.912 -9.881 1.00 16.66 H new ATOM 0 HG SER A 40 -18.041 -31.993 -8.239 1.00 16.66 H new ATOM 604 N ILE A 41 -20.083 -31.452 -5.402 1.00 16.66 N ATOM 605 CA ILE A 41 -19.301 -31.901 -4.215 1.00 16.66 C ATOM 606 C ILE A 41 -20.222 -32.653 -3.251 1.00 16.66 C ATOM 607 O ILE A 41 -21.431 -32.573 -3.340 1.00 16.66 O ATOM 608 CB ILE A 41 -18.687 -30.680 -3.511 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.503 -31.129 -2.650 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.733 -30.007 -2.617 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.479 -31.858 -3.523 1.00 16.66 C ATOM 0 H ILE A 41 -20.924 -30.914 -5.192 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.500 -32.567 -4.536 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.348 -29.970 -4.265 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.040 -30.266 -2.173 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -17.849 -31.786 -1.852 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -19.288 -29.143 -2.123 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.577 -29.682 -3.226 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -20.080 -30.716 -1.865 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.637 -32.176 -2.908 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.946 -32.731 -3.979 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.123 -31.187 -4.305 1.00 16.66 H new ATOM 623 N THR A 42 -19.657 -33.378 -2.327 1.00 16.66 N ATOM 624 CA THR A 42 -20.492 -34.129 -1.353 1.00 16.66 C ATOM 625 C THR A 42 -20.199 -33.599 0.046 1.00 16.66 C ATOM 626 O THR A 42 -19.199 -32.947 0.271 1.00 16.66 O ATOM 627 CB THR A 42 -20.155 -35.629 -1.408 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.362 -35.980 -0.281 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.379 -35.950 -2.689 1.00 16.66 C ATOM 0 H THR A 42 -18.650 -33.482 -2.205 1.00 16.66 H new ATOM 0 HA THR A 42 -21.546 -33.997 -1.599 1.00 16.66 H new ATOM 0 HB THR A 42 -21.084 -36.199 -1.399 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.149 -36.936 -0.316 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.146 -37.015 -2.716 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.985 -35.689 -3.557 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.453 -35.376 -2.707 1.00 16.66 H new ATOM 637 N PRO A 43 -21.076 -33.898 1.006 1.00 16.66 N ATOM 638 CA PRO A 43 -20.888 -33.462 2.388 1.00 16.66 C ATOM 639 C PRO A 43 -19.694 -34.181 3.009 1.00 16.66 C ATOM 640 O PRO A 43 -18.979 -33.640 3.828 1.00 16.66 O ATOM 641 CB PRO A 43 -22.186 -33.883 3.079 1.00 50.00 C ATOM 642 CG PRO A 43 -22.701 -35.008 2.245 1.00 50.00 C ATOM 643 CD PRO A 43 -22.309 -34.683 0.831 1.00 50.00 C ATOM 0 HA PRO A 43 -20.689 -32.394 2.477 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -22.005 -34.200 4.106 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.899 -33.060 3.121 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.271 -35.958 2.561 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.783 -35.101 2.339 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.135 -35.584 0.242 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -23.083 -34.112 0.318 1.00 50.00 H new ATOM 651 N ASP A 44 -19.486 -35.410 2.624 1.00 16.66 N ATOM 652 CA ASP A 44 -18.352 -36.191 3.186 1.00 16.66 C ATOM 653 C ASP A 44 -17.019 -35.630 2.687 1.00 16.66 C ATOM 654 O ASP A 44 -15.987 -35.859 3.286 1.00 16.66 O ATOM 655 CB ASP A 44 -18.478 -37.652 2.752 1.00 50.00 C ATOM 656 CG ASP A 44 -18.306 -38.562 3.968 1.00 50.00 C ATOM 657 OD1 ASP A 44 -17.942 -38.056 5.017 1.00 50.00 O ATOM 658 OD2 ASP A 44 -18.542 -39.752 3.832 1.00 50.00 O ATOM 0 H ASP A 44 -20.057 -35.908 1.941 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.381 -36.121 4.273 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -19.451 -37.823 2.291 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.724 -37.885 2.000 1.00 50.00 H new ATOM 663 N GLU A 45 -17.015 -34.894 1.606 1.00 16.66 N ATOM 664 CA GLU A 45 -15.731 -34.335 1.109 1.00 16.66 C ATOM 665 C GLU A 45 -15.430 -33.055 1.877 1.00 16.66 C ATOM 666 O GLU A 45 -14.309 -32.792 2.261 1.00 16.66 O ATOM 667 CB GLU A 45 -15.847 -34.025 -0.385 1.00 16.66 C ATOM 668 CG GLU A 45 -16.056 -35.328 -1.161 1.00 16.66 C ATOM 669 CD GLU A 45 -14.824 -36.221 -0.998 1.00 16.66 C ATOM 670 OE1 GLU A 45 -13.811 -35.722 -0.537 1.00 16.66 O ATOM 671 OE2 GLU A 45 -14.916 -37.390 -1.335 1.00 16.66 O ATOM 0 H GLU A 45 -17.839 -34.660 1.053 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.928 -35.057 1.258 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.681 -33.345 -0.563 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.945 -33.522 -0.734 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -16.944 -35.844 -0.795 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.225 -35.113 -2.216 1.00 16.66 H new ATOM 678 N VAL A 46 -16.435 -32.262 2.113 1.00 16.66 N ATOM 679 CA VAL A 46 -16.222 -31.001 2.871 1.00 16.66 C ATOM 680 C VAL A 46 -15.799 -31.350 4.296 1.00 16.66 C ATOM 681 O VAL A 46 -14.969 -30.691 4.891 1.00 16.66 O ATOM 682 CB VAL A 46 -17.521 -30.196 2.901 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.404 -29.074 3.936 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.772 -29.591 1.519 1.00 50.00 C ATOM 0 H VAL A 46 -17.395 -32.433 1.814 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.446 -30.405 2.391 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.350 -30.851 3.170 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.331 -28.500 3.957 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.222 -29.505 4.921 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.576 -28.417 3.668 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.698 -29.016 1.536 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.943 -28.936 1.253 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.855 -30.390 0.782 1.00 50.00 H new ATOM 694 N LYS A 47 -16.357 -32.393 4.841 1.00 16.66 N ATOM 695 CA LYS A 47 -15.984 -32.802 6.222 1.00 16.66 C ATOM 696 C LYS A 47 -14.543 -33.308 6.213 1.00 16.66 C ATOM 697 O LYS A 47 -13.771 -33.041 7.112 1.00 16.66 O ATOM 698 CB LYS A 47 -16.916 -33.919 6.699 1.00 16.66 C ATOM 699 CG LYS A 47 -18.312 -33.346 6.952 1.00 16.66 C ATOM 700 CD LYS A 47 -19.206 -34.430 7.556 1.00 16.66 C ATOM 701 CE LYS A 47 -20.672 -34.009 7.437 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.538 -35.221 7.415 1.00 50.00 N ATOM 0 H LYS A 47 -17.057 -32.981 4.389 1.00 16.66 H new ATOM 0 HA LYS A 47 -16.075 -31.951 6.896 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.966 -34.710 5.950 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.525 -34.368 7.612 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -18.250 -32.493 7.628 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.742 -32.983 6.019 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -19.046 -35.377 7.041 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.946 -34.589 8.603 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.946 -33.368 8.275 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.821 -33.426 6.528 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.534 -34.934 7.334 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -21.282 -35.816 6.601 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -21.403 -35.760 8.294 1.00 50.00 H new ATOM 716 N HIS A 48 -14.175 -34.033 5.194 1.00 16.66 N ATOM 717 CA HIS A 48 -12.784 -34.554 5.111 1.00 16.66 C ATOM 718 C HIS A 48 -11.819 -33.378 4.949 1.00 16.66 C ATOM 719 O HIS A 48 -10.756 -33.348 5.538 1.00 16.66 O ATOM 720 CB HIS A 48 -12.659 -35.488 3.907 1.00 16.66 C ATOM 721 CG HIS A 48 -11.225 -35.913 3.744 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.854 -37.245 3.654 1.00 16.66 N ATOM 723 CD2 HIS A 48 -10.060 -35.193 3.652 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.516 -37.286 3.514 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.982 -36.062 3.507 1.00 50.00 N ATOM 0 H HIS A 48 -14.780 -34.287 4.413 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.543 -35.105 6.020 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.295 -36.363 4.045 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -13.004 -34.983 3.005 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.990 -34.116 3.687 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.944 -38.197 3.419 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.996 -35.817 3.415 1.00 50.00 H new ATOM 733 N MET A 49 -12.185 -32.403 4.161 1.00 16.66 N ATOM 734 CA MET A 49 -11.294 -31.229 3.971 1.00 16.66 C ATOM 735 C MET A 49 -11.054 -30.567 5.325 1.00 16.66 C ATOM 736 O MET A 49 -9.945 -30.216 5.672 1.00 16.66 O ATOM 737 CB MET A 49 -11.961 -30.233 3.024 1.00 16.66 C ATOM 738 CG MET A 49 -11.616 -30.596 1.578 1.00 16.66 C ATOM 739 SD MET A 49 -11.586 -29.093 0.569 1.00 16.66 S ATOM 740 CE MET A 49 -13.376 -28.845 0.477 1.00 16.66 C ATOM 0 H MET A 49 -13.063 -32.371 3.642 1.00 16.66 H new ATOM 0 HA MET A 49 -10.344 -31.549 3.544 1.00 16.66 H new ATOM 0 HB2 MET A 49 -13.042 -30.247 3.166 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.624 -29.221 3.247 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.647 -31.093 1.538 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.351 -31.298 1.183 1.00 16.66 H new ATOM 0 HE1 MET A 49 -13.586 -27.882 0.012 1.00 16.66 H new ATOM 0 HE2 MET A 49 -13.823 -29.641 -0.118 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.798 -28.863 1.482 1.00 16.66 H new ATOM 750 N MET A 50 -12.093 -30.401 6.092 1.00 16.66 N ATOM 751 CA MET A 50 -11.938 -29.769 7.430 1.00 16.66 C ATOM 752 C MET A 50 -11.032 -30.641 8.295 1.00 16.66 C ATOM 753 O MET A 50 -10.112 -30.166 8.926 1.00 16.66 O ATOM 754 CB MET A 50 -13.309 -29.639 8.092 1.00 16.66 C ATOM 755 CG MET A 50 -13.917 -28.282 7.737 1.00 16.66 C ATOM 756 SD MET A 50 -15.375 -27.991 8.767 1.00 16.66 S ATOM 757 CE MET A 50 -14.496 -27.479 10.262 1.00 50.00 C ATOM 0 H MET A 50 -13.045 -30.676 5.850 1.00 16.66 H new ATOM 0 HA MET A 50 -11.495 -28.779 7.321 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.965 -30.443 7.757 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.214 -29.736 9.174 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.184 -27.490 7.893 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.192 -28.259 6.683 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.145 -26.845 10.867 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.212 -28.360 10.837 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.601 -26.922 9.985 1.00 50.00 H new ATOM 767 N ALA A 51 -11.283 -31.918 8.322 1.00 16.66 N ATOM 768 CA ALA A 51 -10.431 -32.827 9.141 1.00 16.66 C ATOM 769 C ALA A 51 -8.980 -32.702 8.673 1.00 16.66 C ATOM 770 O ALA A 51 -8.054 -33.040 9.384 1.00 16.66 O ATOM 771 CB ALA A 51 -10.905 -34.270 8.963 1.00 50.00 C ATOM 0 H ALA A 51 -12.041 -32.374 7.813 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.504 -32.554 10.194 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -10.282 -34.934 9.562 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.942 -34.355 9.287 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.829 -34.551 7.913 1.00 50.00 H new ATOM 777 N GLU A 52 -8.781 -32.214 7.481 1.00 16.66 N ATOM 778 CA GLU A 52 -7.394 -32.056 6.957 1.00 16.66 C ATOM 779 C GLU A 52 -6.922 -30.626 7.222 1.00 16.66 C ATOM 780 O GLU A 52 -5.767 -30.381 7.508 1.00 16.66 O ATOM 781 CB GLU A 52 -7.385 -32.329 5.452 1.00 16.66 C ATOM 782 CG GLU A 52 -7.321 -33.839 5.207 1.00 16.66 C ATOM 783 CD GLU A 52 -6.802 -34.106 3.793 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.545 -33.145 3.087 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.669 -35.265 3.440 1.00 16.66 O ATOM 0 H GLU A 52 -9.520 -31.917 6.844 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.727 -32.761 7.454 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.281 -31.913 4.991 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.530 -31.838 4.988 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.667 -34.310 5.941 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.310 -34.281 5.332 1.00 16.66 H new ATOM 792 N ILE A 53 -7.816 -29.684 7.134 1.00 16.66 N ATOM 793 CA ILE A 53 -7.445 -28.265 7.384 1.00 16.66 C ATOM 794 C ILE A 53 -7.434 -27.998 8.889 1.00 16.66 C ATOM 795 O ILE A 53 -6.682 -27.181 9.382 1.00 16.66 O ATOM 796 CB ILE A 53 -8.482 -27.364 6.725 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.494 -27.623 5.220 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.129 -25.905 7.000 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.614 -26.809 4.572 1.00 50.00 C ATOM 0 H ILE A 53 -8.796 -29.837 6.898 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.456 -28.064 6.972 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.470 -27.577 7.132 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.533 -27.349 4.785 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.642 -28.685 5.024 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.869 -25.257 6.530 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.123 -25.729 8.076 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.143 -25.686 6.591 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.623 -26.993 3.498 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.572 -27.104 4.999 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.446 -25.748 4.757 1.00 50.00 H new ATOM 811 N ASP A 54 -8.266 -28.682 9.619 1.00 16.66 N ATOM 812 CA ASP A 54 -8.325 -28.487 11.090 1.00 16.66 C ATOM 813 C ASP A 54 -6.972 -28.859 11.701 1.00 16.66 C ATOM 814 O ASP A 54 -6.653 -30.019 11.874 1.00 16.66 O ATOM 815 CB ASP A 54 -9.421 -29.397 11.643 1.00 16.66 C ATOM 816 CG ASP A 54 -9.994 -28.808 12.934 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.543 -27.750 13.332 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.884 -29.423 13.498 1.00 16.66 O ATOM 0 H ASP A 54 -8.916 -29.377 9.253 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.546 -27.448 11.336 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.214 -29.514 10.904 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -9.016 -30.390 11.836 1.00 16.66 H new ATOM 823 N THR A 55 -6.167 -27.881 12.015 1.00 16.66 N ATOM 824 CA THR A 55 -4.825 -28.169 12.598 1.00 16.66 C ATOM 825 C THR A 55 -4.968 -28.750 14.005 1.00 16.66 C ATOM 826 O THR A 55 -4.293 -29.695 14.366 1.00 16.66 O ATOM 827 CB THR A 55 -4.018 -26.873 12.664 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.794 -25.867 13.301 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.657 -26.423 11.249 1.00 50.00 C ATOM 0 H THR A 55 -6.381 -26.891 11.893 1.00 16.66 H new ATOM 0 HA THR A 55 -4.313 -28.896 11.968 1.00 16.66 H new ATOM 0 HB THR A 55 -3.103 -27.041 13.233 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.738 -26.131 13.297 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.081 -25.499 11.297 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.062 -27.196 10.762 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.569 -26.253 10.677 1.00 50.00 H new ATOM 837 N ASP A 56 -5.833 -28.195 14.804 1.00 16.66 N ATOM 838 CA ASP A 56 -6.004 -28.721 16.190 1.00 16.66 C ATOM 839 C ASP A 56 -7.076 -29.813 16.202 1.00 16.66 C ATOM 840 O ASP A 56 -6.895 -30.872 16.770 1.00 16.66 O ATOM 841 CB ASP A 56 -6.416 -27.579 17.125 1.00 16.66 C ATOM 842 CG ASP A 56 -7.903 -27.265 16.937 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.245 -26.697 15.914 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.673 -27.604 17.820 1.00 16.66 O ATOM 0 H ASP A 56 -6.428 -27.403 14.561 1.00 16.66 H new ATOM 0 HA ASP A 56 -5.060 -29.145 16.533 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.222 -27.857 18.161 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.818 -26.692 16.916 1.00 16.66 H new ATOM 849 N GLY A 57 -8.188 -29.561 15.576 1.00 16.66 N ATOM 850 CA GLY A 57 -9.272 -30.582 15.545 1.00 16.66 C ATOM 851 C GLY A 57 -10.440 -30.130 16.425 1.00 16.66 C ATOM 852 O GLY A 57 -11.140 -30.939 17.001 1.00 16.66 O ATOM 0 H GLY A 57 -8.395 -28.692 15.084 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.614 -30.731 14.521 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.890 -31.541 15.896 1.00 16.66 H new ATOM 856 N ASP A 58 -10.669 -28.848 16.527 1.00 16.66 N ATOM 857 CA ASP A 58 -11.805 -28.367 17.364 1.00 16.66 C ATOM 858 C ASP A 58 -13.096 -28.444 16.546 1.00 16.66 C ATOM 859 O ASP A 58 -14.176 -28.200 17.047 1.00 16.66 O ATOM 860 CB ASP A 58 -11.557 -26.920 17.804 1.00 50.00 C ATOM 861 CG ASP A 58 -11.680 -25.982 16.602 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.117 -26.299 15.568 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.333 -24.961 16.736 1.00 50.00 O ATOM 0 H ASP A 58 -10.123 -28.118 16.070 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.893 -28.994 18.251 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.276 -26.636 18.573 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.565 -26.830 18.246 1.00 50.00 H new ATOM 868 N GLY A 59 -12.993 -28.790 15.290 1.00 16.66 N ATOM 869 CA GLY A 59 -14.212 -28.889 14.442 1.00 16.66 C ATOM 870 C GLY A 59 -14.350 -27.629 13.588 1.00 16.66 C ATOM 871 O GLY A 59 -15.281 -27.491 12.819 1.00 16.66 O ATOM 0 H GLY A 59 -12.116 -29.008 14.817 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -14.151 -29.769 13.802 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -15.094 -29.013 15.070 1.00 16.66 H new ATOM 875 N PHE A 60 -13.442 -26.700 13.718 1.00 16.66 N ATOM 876 CA PHE A 60 -13.551 -25.454 12.911 1.00 16.66 C ATOM 877 C PHE A 60 -12.184 -25.006 12.383 1.00 16.66 C ATOM 878 O PHE A 60 -11.132 -25.307 12.942 1.00 16.66 O ATOM 879 CB PHE A 60 -14.135 -24.330 13.767 1.00 50.00 C ATOM 880 CG PHE A 60 -15.380 -24.808 14.470 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.593 -24.866 13.777 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.323 -25.183 15.816 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.751 -25.302 14.430 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.479 -25.618 16.470 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.694 -25.679 15.778 1.00 50.00 C ATOM 0 H PHE A 60 -12.637 -26.750 14.342 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.203 -25.667 12.064 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.398 -24.000 14.499 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.369 -23.469 13.140 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.636 -24.574 12.738 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.386 -25.136 16.350 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.688 -25.348 13.895 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.435 -25.907 17.510 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.587 -26.017 16.283 1.00 50.00 H new ATOM 895 N ILE A 61 -12.204 -24.258 11.314 1.00 16.66 N ATOM 896 CA ILE A 61 -10.947 -23.739 10.725 1.00 16.66 C ATOM 897 C ILE A 61 -10.887 -22.232 10.982 1.00 16.66 C ATOM 898 O ILE A 61 -11.824 -21.511 10.699 1.00 16.66 O ATOM 899 CB ILE A 61 -10.945 -23.999 9.217 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.308 -25.461 8.946 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.554 -23.703 8.651 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.333 -26.378 9.687 1.00 16.66 C ATOM 0 H ILE A 61 -13.053 -23.983 10.820 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.086 -24.235 11.173 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.679 -23.351 8.737 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.329 -25.659 9.273 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.271 -25.663 7.876 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.551 -23.888 7.577 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.298 -22.660 8.840 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.820 -24.350 9.132 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.593 -27.419 9.493 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.318 -26.187 9.339 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.392 -26.183 10.758 1.00 16.66 H new ATOM 914 N SER A 62 -9.803 -21.745 11.510 1.00 16.66 N ATOM 915 CA SER A 62 -9.699 -20.286 11.776 1.00 16.66 C ATOM 916 C SER A 62 -8.930 -19.633 10.631 1.00 16.66 C ATOM 917 O SER A 62 -8.318 -20.302 9.824 1.00 16.66 O ATOM 918 CB SER A 62 -8.953 -20.055 13.092 1.00 16.66 C ATOM 919 OG SER A 62 -8.521 -21.302 13.618 1.00 16.66 O ATOM 0 H SER A 62 -8.983 -22.294 11.769 1.00 16.66 H new ATOM 0 HA SER A 62 -10.695 -19.851 11.851 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.096 -19.402 12.927 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.604 -19.552 13.808 1.00 16.66 H new ATOM 0 HG SER A 62 -8.042 -21.154 14.460 1.00 16.66 H new ATOM 925 N PHE A 63 -8.951 -18.334 10.551 1.00 16.66 N ATOM 926 CA PHE A 63 -8.213 -17.667 9.449 1.00 16.66 C ATOM 927 C PHE A 63 -6.773 -18.163 9.463 1.00 16.66 C ATOM 928 O PHE A 63 -6.190 -18.454 8.439 1.00 16.66 O ATOM 929 CB PHE A 63 -8.226 -16.152 9.643 1.00 16.66 C ATOM 930 CG PHE A 63 -7.492 -15.522 8.490 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.902 -15.790 7.180 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.398 -14.683 8.725 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.221 -15.217 6.103 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.714 -14.111 7.647 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.126 -14.377 6.335 1.00 16.66 C ATOM 0 H PHE A 63 -9.442 -17.712 11.194 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.689 -17.902 8.497 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.251 -15.784 9.688 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.750 -15.886 10.587 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.745 -16.440 7.001 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.082 -14.477 9.737 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.540 -15.422 5.092 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.868 -13.464 7.826 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.599 -13.934 5.503 1.00 16.66 H new ATOM 945 N GLN A 64 -6.199 -18.265 10.628 1.00 16.66 N ATOM 946 CA GLN A 64 -4.800 -18.747 10.732 1.00 16.66 C ATOM 947 C GLN A 64 -4.709 -20.155 10.135 1.00 16.66 C ATOM 948 O GLN A 64 -3.871 -20.432 9.302 1.00 16.66 O ATOM 949 CB GLN A 64 -4.399 -18.787 12.206 1.00 16.66 C ATOM 950 CG GLN A 64 -2.904 -19.086 12.323 1.00 16.66 C ATOM 951 CD GLN A 64 -2.104 -17.824 11.995 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.228 -16.819 12.668 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.282 -17.833 10.981 1.00 50.00 N ATOM 0 H GLN A 64 -6.644 -18.033 11.516 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.131 -18.079 10.189 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.628 -17.833 12.681 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.975 -19.550 12.729 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.668 -19.427 13.331 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.629 -19.891 11.642 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.178 -18.676 10.416 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.744 -16.997 10.753 1.00 50.00 H new ATOM 962 N GLU A 65 -5.573 -21.042 10.551 1.00 16.66 N ATOM 963 CA GLU A 65 -5.541 -22.424 10.005 1.00 16.66 C ATOM 964 C GLU A 65 -5.765 -22.368 8.493 1.00 16.66 C ATOM 965 O GLU A 65 -5.063 -22.994 7.725 1.00 16.66 O ATOM 966 CB GLU A 65 -6.653 -23.250 10.657 1.00 16.66 C ATOM 967 CG GLU A 65 -6.235 -23.654 12.075 1.00 16.66 C ATOM 968 CD GLU A 65 -7.375 -24.425 12.750 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.514 -24.164 12.433 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.090 -25.262 13.576 1.00 16.66 O ATOM 0 H GLU A 65 -6.299 -20.866 11.246 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.576 -22.885 10.216 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.576 -22.672 10.691 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.856 -24.139 10.060 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.338 -24.271 12.038 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.988 -22.767 12.658 1.00 16.66 H new ATOM 977 N PHE A 66 -6.740 -21.615 8.064 1.00 16.66 N ATOM 978 CA PHE A 66 -7.018 -21.506 6.604 1.00 16.66 C ATOM 979 C PHE A 66 -5.830 -20.843 5.907 1.00 16.66 C ATOM 980 O PHE A 66 -5.486 -21.179 4.790 1.00 16.66 O ATOM 981 CB PHE A 66 -8.273 -20.655 6.393 1.00 16.66 C ATOM 982 CG PHE A 66 -8.549 -20.513 4.915 1.00 16.66 C ATOM 983 CD1 PHE A 66 -9.276 -21.504 4.242 1.00 16.66 C ATOM 984 CD2 PHE A 66 -8.085 -19.390 4.218 1.00 16.66 C ATOM 985 CE1 PHE A 66 -9.538 -21.371 2.873 1.00 16.66 C ATOM 986 CE2 PHE A 66 -8.347 -19.260 2.849 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.074 -20.249 2.177 1.00 16.66 C ATOM 0 H PHE A 66 -7.358 -21.069 8.664 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.174 -22.500 6.185 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.126 -21.118 6.889 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.137 -19.672 6.844 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -9.634 -22.370 4.779 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -7.526 -18.625 4.736 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -10.098 -22.135 2.354 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -7.988 -18.395 2.311 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.277 -20.146 1.121 1.00 16.66 H new ATOM 997 N THR A 67 -5.202 -19.905 6.557 1.00 16.66 N ATOM 998 CA THR A 67 -4.036 -19.219 5.935 1.00 16.66 C ATOM 999 C THR A 67 -2.878 -20.207 5.797 1.00 16.66 C ATOM 1000 O THR A 67 -2.276 -20.330 4.749 1.00 16.66 O ATOM 1001 CB THR A 67 -3.602 -18.049 6.820 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.589 -17.027 6.768 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.266 -17.498 6.320 1.00 50.00 C ATOM 0 H THR A 67 -5.446 -19.583 7.494 1.00 16.66 H new ATOM 0 HA THR A 67 -4.317 -18.847 4.950 1.00 16.66 H new ATOM 0 HB THR A 67 -3.488 -18.392 7.848 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.355 -17.283 7.323 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.957 -16.664 6.951 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.511 -18.283 6.360 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.376 -17.153 5.292 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.561 -20.914 6.847 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.441 -21.892 6.774 1.00 25.00 C ATOM 1013 C ASP A 68 -1.773 -22.966 5.736 1.00 25.00 C ATOM 1014 O ASP A 68 -0.912 -23.446 5.027 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.244 -22.547 8.142 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.872 -21.476 9.171 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.411 -20.423 8.760 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.055 -21.727 10.350 1.00 50.00 O ATOM 0 H ASP A 68 -3.029 -20.856 7.751 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.525 -21.376 6.485 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.157 -23.058 8.447 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.459 -23.301 8.086 1.00 25.00 H new ATOM 1023 N PHE A 69 -3.018 -23.341 5.641 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.413 -24.377 4.653 1.00 25.00 C ATOM 1025 C PHE A 69 -3.405 -23.749 3.253 1.00 25.00 C ATOM 1026 O PHE A 69 -2.991 -24.361 2.289 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.814 -24.899 5.031 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.626 -25.206 3.798 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.152 -24.158 3.041 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.846 -26.532 3.414 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.902 -24.434 1.892 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.596 -26.811 2.268 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.124 -25.761 1.505 1.00 50.00 C ATOM 0 H PHE A 69 -3.781 -22.971 6.209 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.717 -25.216 4.655 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.719 -25.797 5.641 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.332 -24.155 5.636 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.980 -23.135 3.342 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.437 -27.340 4.002 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.309 -23.624 1.305 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.768 -27.835 1.971 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.702 -25.975 0.618 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.857 -22.532 3.140 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.875 -21.862 1.809 1.00 16.66 C ATOM 1045 C GLY A 70 -2.451 -21.793 1.255 1.00 16.66 C ATOM 1046 O GLY A 70 -2.238 -21.798 0.059 1.00 16.66 O ATOM 0 H GLY A 70 -4.215 -21.971 3.913 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.518 -22.412 1.122 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.290 -20.858 1.900 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.473 -21.734 2.118 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.063 -21.669 1.640 1.00 25.00 C ATOM 1052 C ARG A 71 0.338 -23.029 1.068 1.00 25.00 C ATOM 1053 O ARG A 71 1.124 -23.121 0.146 1.00 25.00 O ATOM 1054 CB ARG A 71 0.858 -21.315 2.811 1.00 50.00 C ATOM 1055 CG ARG A 71 0.523 -19.909 3.314 1.00 50.00 C ATOM 1056 CD ARG A 71 1.490 -19.526 4.436 1.00 50.00 C ATOM 1057 NE ARG A 71 1.379 -20.512 5.548 1.00 50.00 N ATOM 1058 CZ ARG A 71 1.811 -20.204 6.740 1.00 50.00 C ATOM 1059 NH1 ARG A 71 1.471 -19.067 7.281 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.582 -21.032 7.389 1.00 50.00 N ATOM 0 H ARG A 71 -1.589 -21.728 3.131 1.00 25.00 H new ATOM 0 HA ARG A 71 0.027 -20.906 0.867 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.736 -22.040 3.616 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.900 -21.362 2.495 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.595 -19.192 2.496 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.504 -19.876 3.677 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.512 -19.503 4.057 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.262 -18.524 4.800 1.00 50.00 H new ATOM 0 HE ARG A 71 0.965 -21.428 5.377 1.00 50.00 H new ATOM 0 HH11 ARG A 71 0.868 -18.420 6.772 1.00 50.00 H new ATOM 0 HH12 ARG A 71 1.808 -18.825 8.213 1.00 50.00 H new ATOM 0 HH21 ARG A 71 2.847 -21.921 6.965 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.919 -20.791 8.321 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.200 -24.087 1.609 1.00 25.00 N ATOM 1075 CA ALA A 72 0.143 -25.444 1.100 1.00 25.00 C ATOM 1076 C ALA A 72 -0.474 -25.636 -0.286 1.00 25.00 C ATOM 1077 O ALA A 72 -0.043 -26.471 -1.057 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.416 -26.499 2.054 1.00 50.00 C ATOM 0 H ALA A 72 -0.864 -24.070 2.383 1.00 25.00 H new ATOM 0 HA ALA A 72 1.226 -25.547 1.035 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.166 -27.493 1.684 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.018 -26.361 3.044 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.499 -26.396 2.116 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.478 -24.869 -0.607 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.123 -25.003 -1.942 1.00 25.00 C ATOM 1086 C ASN A 73 -2.478 -23.612 -2.469 1.00 25.00 C ATOM 1087 O ASN A 73 -3.628 -23.302 -2.707 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.397 -25.841 -1.813 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.090 -27.115 -1.024 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.362 -27.971 -1.487 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.620 -27.278 0.156 1.00 50.00 N ATOM 0 H ASN A 73 -1.880 -24.154 -0.001 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.438 -25.494 -2.633 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.174 -25.266 -1.309 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.780 -26.096 -2.801 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.424 -28.124 0.691 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.231 -26.559 0.544 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.497 -22.773 -2.655 1.00 25.00 N ATOM 1099 CA ARG A 74 -1.780 -21.404 -3.168 1.00 25.00 C ATOM 1100 C ARG A 74 -2.609 -21.522 -4.443 1.00 25.00 C ATOM 1101 O ARG A 74 -3.563 -20.798 -4.649 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.463 -20.688 -3.477 1.00 25.00 C ATOM 1103 CG ARG A 74 0.327 -20.496 -2.181 1.00 25.00 C ATOM 1104 CD ARG A 74 1.567 -19.642 -2.462 1.00 25.00 C ATOM 1105 NE ARG A 74 1.154 -18.231 -2.704 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.292 -17.705 -3.890 1.00 50.00 C ATOM 1107 NH1 ARG A 74 1.222 -18.461 -4.951 1.00 50.00 N ATOM 1108 NH2 ARG A 74 1.501 -16.423 -4.015 1.00 50.00 N ATOM 0 H ARG A 74 -0.514 -22.976 -2.474 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.328 -20.832 -2.419 1.00 25.00 H new ATOM 0 HB2 ARG A 74 0.122 -21.270 -4.189 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.662 -19.722 -3.941 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.298 -20.013 -1.430 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.623 -21.464 -1.776 1.00 25.00 H new ATOM 0 HD2 ARG A 74 2.255 -19.691 -1.618 1.00 25.00 H new ATOM 0 HD3 ARG A 74 2.100 -20.030 -3.330 1.00 25.00 H new ATOM 0 HE ARG A 74 0.763 -17.676 -1.942 1.00 25.00 H new ATOM 0 HH11 ARG A 74 1.059 -19.463 -4.853 1.00 50.00 H new ATOM 0 HH12 ARG A 74 1.330 -18.050 -5.878 1.00 50.00 H new ATOM 0 HH21 ARG A 74 1.557 -15.832 -3.185 1.00 50.00 H new ATOM 0 HH22 ARG A 74 1.609 -16.012 -4.942 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.253 -22.437 -5.294 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.013 -22.621 -6.557 1.00 25.00 C ATOM 1124 C GLY A 75 -4.490 -22.851 -6.231 1.00 25.00 C ATOM 1125 O GLY A 75 -5.359 -22.627 -7.049 1.00 25.00 O ATOM 0 H GLY A 75 -1.463 -23.070 -5.169 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -2.902 -21.743 -7.193 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.615 -23.470 -7.114 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.780 -23.296 -5.038 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.201 -23.536 -4.660 1.00 25.00 C ATOM 1131 C LEU A 76 -6.856 -22.208 -4.286 1.00 25.00 C ATOM 1132 O LEU A 76 -7.971 -21.919 -4.673 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.259 -24.488 -3.462 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.929 -25.909 -3.923 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.977 -26.858 -2.724 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.954 -26.357 -4.968 1.00 50.00 C ATOM 0 H LEU A 76 -4.095 -23.503 -4.311 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.731 -23.981 -5.502 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.552 -24.169 -2.696 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.251 -24.462 -3.011 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.931 -25.926 -4.361 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.742 -27.871 -3.052 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.248 -26.540 -1.979 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.975 -26.841 -2.286 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.720 -27.369 -5.297 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.952 -26.340 -4.530 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.922 -25.681 -5.823 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.167 -21.399 -3.534 1.00 25.00 N ATOM 1149 CA LEU A 77 -6.739 -20.085 -3.126 1.00 25.00 C ATOM 1150 C LEU A 77 -7.020 -19.242 -4.367 1.00 25.00 C ATOM 1151 O LEU A 77 -7.998 -18.524 -4.433 1.00 25.00 O ATOM 1152 CB LEU A 77 -5.737 -19.359 -2.224 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.779 -19.950 -0.808 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -6.923 -19.309 -0.022 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -5.996 -21.466 -0.872 1.00 50.00 C ATOM 0 H LEU A 77 -5.229 -21.591 -3.182 1.00 25.00 H new ATOM 0 HA LEU A 77 -7.671 -20.243 -2.583 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -4.732 -19.451 -2.635 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -5.971 -18.295 -2.190 1.00 25.00 H new ATOM 0 HG LEU A 77 -4.830 -19.747 -0.313 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -6.953 -19.728 0.984 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -6.764 -18.232 0.038 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -7.868 -19.509 -0.527 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.024 -21.873 0.139 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -6.940 -21.678 -1.374 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -5.179 -21.927 -1.426 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.175 -19.325 -5.354 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.401 -18.530 -6.592 1.00 25.00 C ATOM 1169 C LYS A 78 -7.545 -19.158 -7.385 1.00 25.00 C ATOM 1170 O LYS A 78 -8.253 -18.490 -8.110 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.126 -18.531 -7.438 1.00 25.00 C ATOM 1172 CG LYS A 78 -3.956 -18.016 -6.597 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.738 -17.797 -7.496 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.278 -19.139 -8.068 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.015 -19.559 -7.397 1.00 50.00 N ATOM 0 H LYS A 78 -5.338 -19.908 -5.358 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.657 -17.503 -6.331 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.915 -19.539 -7.796 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.260 -17.902 -8.318 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.231 -17.083 -6.105 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.717 -18.732 -5.811 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -2.989 -17.111 -8.305 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -1.931 -17.336 -6.927 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.050 -19.894 -7.919 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.120 -19.053 -9.143 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.702 -20.471 -7.786 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -0.280 -18.842 -7.561 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.181 -19.657 -6.375 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.734 -20.442 -7.246 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.837 -21.115 -7.985 1.00 25.00 C ATOM 1191 C ASP A 79 -10.151 -20.879 -7.245 1.00 25.00 C ATOM 1192 O ASP A 79 -11.161 -20.554 -7.836 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.557 -22.617 -8.067 1.00 25.00 C ATOM 1194 CG ASP A 79 -9.597 -23.282 -8.971 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.286 -22.563 -9.675 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -9.687 -24.498 -8.943 1.00 50.00 O ATOM 0 H ASP A 79 -7.172 -21.053 -6.653 1.00 25.00 H new ATOM 0 HA ASP A 79 -8.906 -20.707 -8.994 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.555 -22.790 -8.459 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -8.590 -23.059 -7.071 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.144 -21.039 -5.951 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.390 -20.822 -5.166 1.00 25.00 C ATOM 1203 C VAL A 80 -11.748 -19.338 -5.184 1.00 25.00 C ATOM 1204 O VAL A 80 -12.896 -18.965 -5.320 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.168 -21.271 -3.722 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -12.473 -21.126 -2.938 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -10.723 -22.734 -3.706 1.00 50.00 C ATOM 0 H VAL A 80 -9.328 -21.311 -5.403 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.202 -21.400 -5.607 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.397 -20.652 -3.263 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -12.316 -21.446 -1.908 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -12.791 -20.083 -2.950 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -13.244 -21.745 -3.397 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -10.564 -23.055 -2.676 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -11.494 -23.354 -4.165 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -9.793 -22.838 -4.266 1.00 50.00 H new ATOM 1217 N ALA A 81 -10.771 -18.486 -5.049 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.055 -17.024 -5.062 1.00 25.00 C ATOM 1219 C ALA A 81 -11.888 -16.679 -6.296 1.00 25.00 C ATOM 1220 O ALA A 81 -12.876 -15.978 -6.217 1.00 25.00 O ATOM 1221 CB ALA A 81 -9.738 -16.246 -5.102 1.00 50.00 C ATOM 0 H ALA A 81 -9.790 -18.738 -4.930 1.00 25.00 H new ATOM 0 HA ALA A 81 -11.607 -16.754 -4.162 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -9.947 -15.176 -5.112 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.143 -16.492 -4.222 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.184 -16.515 -6.001 1.00 50.00 H new ATOM 1227 N LYS A 82 -11.496 -17.171 -7.436 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.262 -16.878 -8.681 1.00 25.00 C ATOM 1229 C LYS A 82 -13.695 -17.386 -8.525 1.00 25.00 C ATOM 1230 O LYS A 82 -14.621 -16.851 -9.103 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.598 -17.582 -9.865 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.170 -17.062 -10.032 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.499 -17.783 -11.203 1.00 25.00 C ATOM 1234 CE LYS A 82 -7.999 -17.479 -11.197 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.671 -16.578 -12.338 1.00 50.00 N ATOM 0 H LYS A 82 -10.676 -17.765 -7.561 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.273 -15.803 -8.858 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.587 -18.660 -9.702 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.170 -17.403 -10.775 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.182 -15.987 -10.211 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.602 -17.226 -9.116 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.663 -18.858 -11.125 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -9.943 -17.460 -12.145 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -7.716 -17.009 -10.255 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.429 -18.405 -11.275 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.652 -16.371 -12.335 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.927 -17.043 -13.232 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.205 -15.691 -12.244 1.00 50.00 H new ATOM 1249 N ILE A 83 -13.886 -18.414 -7.747 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.260 -18.958 -7.551 1.00 25.00 C ATOM 1251 C ILE A 83 -16.110 -17.932 -6.803 1.00 25.00 C ATOM 1252 O ILE A 83 -17.291 -17.787 -7.054 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.185 -20.248 -6.733 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.449 -21.321 -7.538 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -16.600 -20.732 -6.413 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.391 -22.617 -6.726 1.00 50.00 C ATOM 0 H ILE A 83 -13.150 -18.902 -7.237 1.00 25.00 H new ATOM 0 HA ILE A 83 -15.710 -19.168 -8.521 1.00 25.00 H new ATOM 0 HB ILE A 83 -14.647 -20.058 -5.804 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.960 -21.495 -8.485 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.441 -20.984 -7.777 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -16.547 -21.651 -5.830 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.125 -19.968 -5.839 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.138 -20.922 -7.342 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -13.867 -23.382 -7.299 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -13.861 -22.437 -5.791 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.404 -22.956 -6.509 1.00 50.00 H new ATOM 1268 N PHE A 84 -15.519 -17.219 -5.887 1.00 25.00 N ATOM 1269 CA PHE A 84 -16.289 -16.202 -5.118 1.00 25.00 C ATOM 1270 C PHE A 84 -15.910 -14.801 -5.602 1.00 25.00 C ATOM 1271 O PHE A 84 -15.151 -14.710 -6.555 1.00 99.99 O ATOM 1272 CB PHE A 84 -15.961 -16.334 -3.630 1.00 50.00 C ATOM 1273 CG PHE A 84 -16.329 -17.721 -3.155 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -15.597 -18.831 -3.597 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -17.403 -17.895 -2.274 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -15.941 -20.115 -3.155 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -17.745 -19.178 -1.834 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.015 -20.288 -2.274 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.383 -13.843 -5.014 1.00 25.00 O ATOM 0 H PHE A 84 -14.533 -17.296 -5.637 1.00 25.00 H new ATOM 0 HA PHE A 84 -17.356 -16.362 -5.271 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -14.900 -16.150 -3.463 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -16.508 -15.585 -3.058 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -14.769 -18.697 -4.277 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -17.967 -17.039 -1.934 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.377 -20.972 -3.494 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -18.573 -19.312 -1.154 1.00 50.00 H new ATOM 0 HZ PHE A 84 -17.280 -21.278 -1.934 1.00 50.00 H new