USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 742 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 88 SER OG : rot 180:sc= 0.0272 USER MOD Set 1.2: A 89 ASN : amide:sc= -0.653 X(o=-2.8,f=-2.4) USER MOD Set 1.3: A 94 TYR OH : rot 15:sc= -2.19! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.0501 (180deg=-1.15) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.016) USER MOD Single : A 31 GLN : amide:sc= -3.37! C(o=-3.4!,f=-3.2!) USER MOD Single : A 34 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.29) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= -0.0684 K(o=-0.068,f=-1.8!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.093) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= -0.935 (180deg=-1.19) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.0095) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 71 MET CE :methyl -121:sc= -0.392 (180deg=-5.49!) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= -0.0954 (180deg=-0.543) USER MOD Single : A 76 GLN : amide:sc= -6.82! C(o=-6.8!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= -1.9! (180deg=-2.1!) USER MOD Single : A 79 GLN : amide:sc= -0.0445 K(o=-0.045,f=-0.92) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.593 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -7.26! C(o=-7.3!,f=-10!) USER MOD Single : A 96 MET CE :methyl 141:sc= -0.0389 (180deg=-2.07) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.335 X(o=-0.34,f=-0.021) USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00638) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -13.859 14.759 4.021 1.00 0.00 N ATOM 138 CA MET A 13 -14.571 14.808 2.749 1.00 0.00 C ATOM 139 C MET A 13 -15.074 13.423 2.354 1.00 0.00 C ATOM 140 O MET A 13 -14.588 12.399 2.835 1.00 0.00 O ATOM 141 CB MET A 13 -13.662 15.365 1.652 1.00 0.00 C ATOM 142 CG MET A 13 -13.768 16.872 1.482 1.00 0.00 C ATOM 143 SD MET A 13 -12.606 17.773 2.525 1.00 0.00 S ATOM 144 CE MET A 13 -13.684 19.010 3.243 1.00 0.00 C ATOM 0 HA MET A 13 -15.431 15.467 2.868 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.629 15.105 1.881 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.910 14.883 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.588 17.129 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.784 17.190 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.109 19.648 3.915 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.119 19.618 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.480 18.518 3.802 1.00 0.00 H new ATOM 154 N PRO A 14 -16.071 13.388 1.458 1.00 0.00 N ATOM 155 CA PRO A 14 -16.661 12.135 0.979 1.00 0.00 C ATOM 156 C PRO A 14 -15.705 11.346 0.091 1.00 0.00 C ATOM 157 O PRO A 14 -14.501 11.598 0.084 1.00 0.00 O ATOM 158 CB PRO A 14 -17.877 12.600 0.174 1.00 0.00 C ATOM 159 CG PRO A 14 -17.537 13.984 -0.260 1.00 0.00 C ATOM 160 CD PRO A 14 -16.699 14.570 0.843 1.00 0.00 C ATOM 0 HA PRO A 14 -16.908 11.461 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.057 11.950 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.782 12.587 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.990 13.974 -1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.439 14.575 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.954 15.265 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.307 15.121 1.560 1.00 0.00 H new ATOM 168 N GLU A 15 -16.249 10.390 -0.656 1.00 0.00 N ATOM 169 CA GLU A 15 -15.443 9.565 -1.547 1.00 0.00 C ATOM 170 C GLU A 15 -15.708 9.921 -3.007 1.00 0.00 C ATOM 171 O GLU A 15 -14.778 10.163 -3.775 1.00 0.00 O ATOM 172 CB GLU A 15 -15.737 8.082 -1.310 1.00 0.00 C ATOM 173 CG GLU A 15 -14.669 7.154 -1.863 1.00 0.00 C ATOM 174 CD GLU A 15 -15.228 5.811 -2.291 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.928 5.173 -1.478 1.00 0.00 O ATOM 176 OE2 GLU A 15 -14.964 5.398 -3.440 1.00 0.00 O ATOM 0 H GLU A 15 -17.245 10.168 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.393 9.759 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.839 7.907 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.695 7.833 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.185 7.630 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.900 6.999 -1.106 1.00 0.00 H new ATOM 183 N GLU A 16 -16.983 9.948 -3.381 1.00 0.00 N ATOM 184 CA GLU A 16 -17.370 10.273 -4.749 1.00 0.00 C ATOM 185 C GLU A 16 -16.783 11.615 -5.177 1.00 0.00 C ATOM 186 O GLU A 16 -15.933 11.676 -6.064 1.00 0.00 O ATOM 187 CB GLU A 16 -18.895 10.307 -4.876 1.00 0.00 C ATOM 188 CG GLU A 16 -19.532 8.929 -4.935 1.00 0.00 C ATOM 189 CD GLU A 16 -21.024 8.963 -4.665 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.492 9.940 -4.045 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.722 8.013 -5.075 1.00 0.00 O ATOM 0 H GLU A 16 -17.765 9.749 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.975 9.498 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.310 10.854 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.164 10.861 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.354 8.493 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.049 8.278 -4.206 1.00 0.00 H new ATOM 198 N GLU A 17 -17.244 12.686 -4.539 1.00 0.00 N ATOM 199 CA GLU A 17 -16.765 14.027 -4.855 1.00 0.00 C ATOM 200 C GLU A 17 -15.248 14.111 -4.711 1.00 0.00 C ATOM 201 O GLU A 17 -14.552 14.565 -5.619 1.00 0.00 O ATOM 202 CB GLU A 17 -17.433 15.059 -3.943 1.00 0.00 C ATOM 203 CG GLU A 17 -18.951 14.995 -3.962 1.00 0.00 C ATOM 204 CD GLU A 17 -19.534 15.380 -5.308 1.00 0.00 C ATOM 205 OE1 GLU A 17 -19.600 16.592 -5.600 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.925 14.469 -6.067 1.00 0.00 O ATOM 0 H GLU A 17 -17.948 12.652 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.027 14.244 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.084 14.909 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.116 16.057 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.272 13.985 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.349 15.659 -3.195 1.00 0.00 H new ATOM 213 N PHE A 18 -14.743 13.671 -3.563 1.00 0.00 N ATOM 214 CA PHE A 18 -13.310 13.697 -3.298 1.00 0.00 C ATOM 215 C PHE A 18 -12.516 13.436 -4.575 1.00 0.00 C ATOM 216 O PHE A 18 -11.705 14.262 -4.996 1.00 0.00 O ATOM 217 CB PHE A 18 -12.946 12.658 -2.236 1.00 0.00 C ATOM 218 CG PHE A 18 -11.470 12.409 -2.121 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.639 13.349 -1.533 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.912 11.235 -2.601 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.280 13.123 -1.426 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.553 11.003 -2.498 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.736 11.948 -1.908 1.00 0.00 C ATOM 0 H PHE A 18 -15.306 13.292 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.053 14.689 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.327 12.989 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.447 11.719 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.058 14.269 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.547 10.492 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.644 13.864 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.131 10.085 -2.878 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.674 11.769 -1.824 1.00 0.00 H new ATOM 233 N LEU A 19 -12.755 12.281 -5.186 1.00 0.00 N ATOM 234 CA LEU A 19 -12.063 11.908 -6.415 1.00 0.00 C ATOM 235 C LEU A 19 -12.088 13.053 -7.423 1.00 0.00 C ATOM 236 O LEU A 19 -11.098 13.312 -8.108 1.00 0.00 O ATOM 237 CB LEU A 19 -12.704 10.661 -7.027 1.00 0.00 C ATOM 238 CG LEU A 19 -12.741 9.419 -6.135 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.641 8.354 -6.741 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.336 8.875 -5.920 1.00 0.00 C ATOM 0 H LEU A 19 -13.423 11.587 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.025 11.690 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.726 10.907 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.165 10.411 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.151 9.703 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.655 7.478 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.653 8.747 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.261 8.073 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.381 7.992 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.898 8.607 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.720 9.636 -5.441 1.00 0.00 H new ATOM 252 N ARG A 20 -13.225 13.736 -7.507 1.00 0.00 N ATOM 253 CA ARG A 20 -13.378 14.854 -8.430 1.00 0.00 C ATOM 254 C ARG A 20 -12.410 15.981 -8.084 1.00 0.00 C ATOM 255 O ARG A 20 -11.977 16.731 -8.959 1.00 0.00 O ATOM 256 CB ARG A 20 -14.816 15.375 -8.399 1.00 0.00 C ATOM 257 CG ARG A 20 -15.857 14.308 -8.700 1.00 0.00 C ATOM 258 CD ARG A 20 -17.177 14.925 -9.134 1.00 0.00 C ATOM 259 NE ARG A 20 -18.101 13.926 -9.663 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.388 14.163 -9.893 1.00 0.00 C ATOM 261 NH1 ARG A 20 -19.900 15.360 -9.642 1.00 0.00 N ATOM 262 NH2 ARG A 20 -20.165 13.201 -10.375 1.00 0.00 N ATOM 0 H ARG A 20 -14.054 13.535 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.149 14.497 -9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.018 15.801 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.916 16.183 -9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.487 13.648 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.015 13.693 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.637 15.431 -8.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.990 15.684 -9.894 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.739 12.995 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.306 16.101 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.888 15.539 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.774 12.279 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.153 13.384 -10.551 1.00 0.00 H new ATOM 276 N ARG A 21 -12.075 16.094 -6.803 1.00 0.00 N ATOM 277 CA ARG A 21 -11.159 17.131 -6.341 1.00 0.00 C ATOM 278 C ARG A 21 -9.724 16.615 -6.312 1.00 0.00 C ATOM 279 O ARG A 21 -8.859 17.115 -7.030 1.00 0.00 O ATOM 280 CB ARG A 21 -11.566 17.617 -4.949 1.00 0.00 C ATOM 281 CG ARG A 21 -12.662 18.671 -4.968 1.00 0.00 C ATOM 282 CD ARG A 21 -12.122 20.028 -5.389 1.00 0.00 C ATOM 283 NE ARG A 21 -13.168 20.887 -5.940 1.00 0.00 N ATOM 284 CZ ARG A 21 -12.929 22.061 -6.512 1.00 0.00 C ATOM 285 NH1 ARG A 21 -11.687 22.515 -6.608 1.00 0.00 N ATOM 286 NH2 ARG A 21 -13.934 22.785 -6.989 1.00 0.00 N ATOM 0 H ARG A 21 -12.424 15.481 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.212 17.966 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.904 16.764 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.690 18.025 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.452 18.364 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.111 18.748 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.665 20.519 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.337 19.891 -6.132 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.135 20.567 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.912 21.962 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.506 23.417 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.891 22.440 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.749 23.687 -7.428 1.00 0.00 H new ATOM 300 N ASN A 22 -9.478 15.612 -5.475 1.00 0.00 N ATOM 301 CA ASN A 22 -8.147 15.028 -5.351 1.00 0.00 C ATOM 302 C ASN A 22 -8.126 13.602 -5.892 1.00 0.00 C ATOM 303 O ASN A 22 -8.469 12.653 -5.186 1.00 0.00 O ATOM 304 CB ASN A 22 -7.697 15.038 -3.889 1.00 0.00 C ATOM 305 CG ASN A 22 -8.086 16.317 -3.173 1.00 0.00 C ATOM 306 OD1 ASN A 22 -7.399 17.333 -3.276 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.194 16.272 -2.442 1.00 0.00 N ATOM 0 H ASN A 22 -10.183 15.187 -4.873 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.456 15.631 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.137 14.186 -3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.615 14.914 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.506 17.102 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.733 15.408 -2.385 1.00 0.00 H new ATOM 314 N LYS A 23 -7.720 13.457 -7.149 1.00 0.00 N ATOM 315 CA LYS A 23 -7.651 12.147 -7.785 1.00 0.00 C ATOM 316 C LYS A 23 -6.234 11.587 -7.725 1.00 0.00 C ATOM 317 O LYS A 23 -6.038 10.377 -7.615 1.00 0.00 O ATOM 318 CB LYS A 23 -8.112 12.240 -9.242 1.00 0.00 C ATOM 319 CG LYS A 23 -7.923 10.952 -10.023 1.00 0.00 C ATOM 320 CD LYS A 23 -8.761 10.940 -11.291 1.00 0.00 C ATOM 321 CE LYS A 23 -8.000 11.532 -12.467 1.00 0.00 C ATOM 322 NZ LYS A 23 -7.893 13.014 -12.369 1.00 0.00 N ATOM 0 H LYS A 23 -7.434 14.232 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.313 11.472 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.166 12.517 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.562 13.040 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.871 10.833 -10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.196 10.103 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.055 9.917 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.678 11.506 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.001 11.098 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.503 11.265 -13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.838 13.422 -13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.730 13.391 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.037 13.266 -11.835 1.00 0.00 H new ATOM 336 N GLY A 24 -5.247 12.475 -7.796 1.00 0.00 N ATOM 337 CA GLY A 24 -3.860 12.049 -7.746 1.00 0.00 C ATOM 338 C GLY A 24 -3.157 12.208 -9.080 1.00 0.00 C ATOM 339 O GLY A 24 -3.623 12.918 -9.971 1.00 0.00 O ATOM 0 H GLY A 24 -5.383 13.482 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.332 12.629 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.815 11.005 -7.437 1.00 0.00 H new ATOM 343 N PRO A 25 -2.006 11.536 -9.229 1.00 0.00 N ATOM 344 CA PRO A 25 -1.441 10.689 -8.175 1.00 0.00 C ATOM 345 C PRO A 25 -0.927 11.501 -6.991 1.00 0.00 C ATOM 346 O PRO A 25 -0.860 12.729 -7.051 1.00 0.00 O ATOM 347 CB PRO A 25 -0.283 9.974 -8.876 1.00 0.00 C ATOM 348 CG PRO A 25 0.104 10.884 -9.991 1.00 0.00 C ATOM 349 CD PRO A 25 -1.166 11.553 -10.439 1.00 0.00 C ATOM 0 HA PRO A 25 -2.185 10.013 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.550 9.807 -8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.589 8.997 -9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.836 11.620 -9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.561 10.327 -10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.983 12.570 -10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.636 11.014 -11.262 1.00 0.00 H new ATOM 357 N VAL A 26 -0.564 10.808 -5.917 1.00 0.00 N ATOM 358 CA VAL A 26 -0.055 11.465 -4.719 1.00 0.00 C ATOM 359 C VAL A 26 1.294 10.887 -4.306 1.00 0.00 C ATOM 360 O VAL A 26 1.470 9.669 -4.257 1.00 0.00 O ATOM 361 CB VAL A 26 -1.040 11.332 -3.543 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.264 12.206 -3.770 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.442 9.877 -3.348 1.00 0.00 C ATOM 0 H VAL A 26 -0.613 9.791 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 26 0.065 12.520 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.543 11.673 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.949 12.099 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.956 13.248 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.766 11.898 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.138 9.801 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.921 9.507 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.555 9.280 -3.137 1.00 0.00 H new ATOM 373 N SER A 27 2.244 11.767 -4.010 1.00 0.00 N ATOM 374 CA SER A 27 3.579 11.344 -3.604 1.00 0.00 C ATOM 375 C SER A 27 3.663 11.188 -2.089 1.00 0.00 C ATOM 376 O SER A 27 3.716 12.175 -1.355 1.00 0.00 O ATOM 377 CB SER A 27 4.625 12.354 -4.083 1.00 0.00 C ATOM 378 OG SER A 27 5.890 12.092 -3.501 1.00 0.00 O ATOM 0 H SER A 27 2.114 12.778 -4.044 1.00 0.00 H new ATOM 0 HA SER A 27 3.781 10.376 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.705 12.312 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.305 13.364 -3.826 1.00 0.00 H new ATOM 0 HG SER A 27 6.541 12.750 -3.824 1.00 0.00 H new ATOM 384 N ILE A 28 3.673 9.942 -1.628 1.00 0.00 N ATOM 385 CA ILE A 28 3.751 9.656 -0.201 1.00 0.00 C ATOM 386 C ILE A 28 5.141 9.160 0.185 1.00 0.00 C ATOM 387 O ILE A 28 5.837 8.540 -0.619 1.00 0.00 O ATOM 388 CB ILE A 28 2.708 8.605 0.220 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.987 7.270 -0.474 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.303 9.093 -0.104 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.406 6.078 0.253 1.00 0.00 C ATOM 0 H ILE A 28 3.628 9.114 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 28 3.544 10.591 0.320 1.00 0.00 H new ATOM 0 HB ILE A 28 2.780 8.455 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.580 7.303 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.065 7.137 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.577 8.339 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.108 10.022 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.217 9.268 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.643 5.166 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.832 6.020 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.324 6.188 0.325 1.00 0.00 H new ATOM 403 N LYS A 29 5.538 9.435 1.423 1.00 0.00 N ATOM 404 CA LYS A 29 6.843 9.014 1.919 1.00 0.00 C ATOM 405 C LYS A 29 6.694 8.008 3.056 1.00 0.00 C ATOM 406 O LYS A 29 6.017 8.274 4.049 1.00 0.00 O ATOM 407 CB LYS A 29 7.644 10.227 2.399 1.00 0.00 C ATOM 408 CG LYS A 29 9.142 9.982 2.458 1.00 0.00 C ATOM 409 CD LYS A 29 9.856 11.078 3.230 1.00 0.00 C ATOM 410 CE LYS A 29 11.257 10.649 3.640 1.00 0.00 C ATOM 411 NZ LYS A 29 11.234 9.724 4.807 1.00 0.00 N ATOM 0 H LYS A 29 4.975 9.948 2.101 1.00 0.00 H new ATOM 0 HA LYS A 29 7.378 8.533 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.448 11.068 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.292 10.515 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.336 9.018 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.543 9.928 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.915 11.977 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.278 11.335 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.748 10.160 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.849 11.530 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.208 9.535 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.699 10.160 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.779 8.830 4.532 1.00 0.00 H new ATOM 425 N VAL A 30 7.333 6.852 2.904 1.00 0.00 N ATOM 426 CA VAL A 30 7.274 5.807 3.919 1.00 0.00 C ATOM 427 C VAL A 30 8.494 5.858 4.832 1.00 0.00 C ATOM 428 O VAL A 30 9.600 5.504 4.426 1.00 0.00 O ATOM 429 CB VAL A 30 7.183 4.409 3.280 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.188 3.330 4.353 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.940 4.301 2.410 1.00 0.00 C ATOM 0 H VAL A 30 7.897 6.616 2.088 1.00 0.00 H new ATOM 0 HA VAL A 30 6.375 5.988 4.508 1.00 0.00 H new ATOM 0 HB VAL A 30 8.057 4.261 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.123 2.349 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.110 3.395 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.334 3.472 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.892 3.307 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.053 4.469 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.983 5.050 1.619 1.00 0.00 H new ATOM 441 N GLN A 31 8.284 6.301 6.068 1.00 0.00 N ATOM 442 CA GLN A 31 9.367 6.398 7.038 1.00 0.00 C ATOM 443 C GLN A 31 9.806 5.014 7.506 1.00 0.00 C ATOM 444 O GLN A 31 9.072 4.326 8.216 1.00 0.00 O ATOM 445 CB GLN A 31 8.931 7.241 8.239 1.00 0.00 C ATOM 446 CG GLN A 31 10.092 7.757 9.074 1.00 0.00 C ATOM 447 CD GLN A 31 11.082 6.667 9.434 1.00 0.00 C ATOM 448 OE1 GLN A 31 12.159 6.571 8.844 1.00 0.00 O ATOM 449 NE2 GLN A 31 10.722 5.838 10.407 1.00 0.00 N ATOM 0 H GLN A 31 7.374 6.598 6.420 1.00 0.00 H new ATOM 0 HA GLN A 31 10.214 6.882 6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.345 8.089 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.276 6.644 8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.608 8.544 8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.705 8.207 9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.820 5.955 10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.348 5.085 10.693 1.00 0.00 H new ATOM 458 N VAL A 32 11.007 4.612 7.103 1.00 0.00 N ATOM 459 CA VAL A 32 11.543 3.310 7.481 1.00 0.00 C ATOM 460 C VAL A 32 12.477 3.427 8.680 1.00 0.00 C ATOM 461 O VAL A 32 13.629 3.847 8.562 1.00 0.00 O ATOM 462 CB VAL A 32 12.305 2.656 6.313 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.695 1.228 6.662 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.467 2.693 5.044 1.00 0.00 C ATOM 0 H VAL A 32 11.627 5.169 6.515 1.00 0.00 H new ATOM 0 HA VAL A 32 10.692 2.683 7.747 1.00 0.00 H new ATOM 0 HB VAL A 32 13.219 3.223 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.232 0.783 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.336 1.231 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.797 0.646 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.020 2.227 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.536 2.151 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.244 3.728 4.786 1.00 0.00 H new ATOM 474 N PRO A 33 11.972 3.048 9.863 1.00 0.00 N ATOM 475 CA PRO A 33 12.745 3.100 11.107 1.00 0.00 C ATOM 476 C PRO A 33 13.862 2.063 11.140 1.00 0.00 C ATOM 477 O PRO A 33 13.679 0.926 10.706 1.00 0.00 O ATOM 478 CB PRO A 33 11.702 2.798 12.186 1.00 0.00 C ATOM 479 CG PRO A 33 10.649 2.011 11.485 1.00 0.00 C ATOM 480 CD PRO A 33 10.607 2.537 10.077 1.00 0.00 C ATOM 0 HA PRO A 33 13.245 4.060 11.236 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.137 2.232 13.010 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.294 3.715 12.610 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.884 0.947 11.497 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.682 2.129 11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.355 1.753 9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.861 3.324 9.964 1.00 0.00 H new ATOM 488 N ASN A 34 15.019 2.461 11.659 1.00 0.00 N ATOM 489 CA ASN A 34 16.166 1.565 11.749 1.00 0.00 C ATOM 490 C ASN A 34 15.977 0.551 12.873 1.00 0.00 C ATOM 491 O ASN A 34 16.288 0.827 14.031 1.00 0.00 O ATOM 492 CB ASN A 34 17.449 2.366 11.980 1.00 0.00 C ATOM 493 CG ASN A 34 18.683 1.486 12.003 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.894 0.717 12.941 1.00 0.00 O ATOM 495 ND2 ASN A 34 19.507 1.595 10.967 1.00 0.00 N ATOM 0 H ASN A 34 15.187 3.399 12.024 1.00 0.00 H new ATOM 0 HA ASN A 34 16.248 1.025 10.806 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.554 3.114 11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 34 17.373 2.905 12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.354 1.028 10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.293 2.246 10.211 1.00 0.00 H new ATOM 502 N MET A 35 15.465 -0.625 12.522 1.00 0.00 N ATOM 503 CA MET A 35 15.237 -1.681 13.501 1.00 0.00 C ATOM 504 C MET A 35 16.514 -2.477 13.750 1.00 0.00 C ATOM 505 O MET A 35 16.823 -3.416 13.018 1.00 0.00 O ATOM 506 CB MET A 35 14.124 -2.617 13.023 1.00 0.00 C ATOM 507 CG MET A 35 12.735 -2.180 13.458 1.00 0.00 C ATOM 508 SD MET A 35 12.575 -2.054 15.250 1.00 0.00 S ATOM 509 CE MET A 35 10.943 -1.331 15.394 1.00 0.00 C ATOM 0 H MET A 35 15.201 -0.870 11.568 1.00 0.00 H new ATOM 0 HA MET A 35 14.933 -1.214 14.438 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.153 -2.677 11.935 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.316 -3.620 13.403 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.505 -1.214 13.008 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.000 -2.891 13.081 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.699 -1.191 16.447 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.926 -0.367 14.886 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.209 -1.995 14.937 1.00 0.00 H new ATOM 584 N GLU A 40 13.693 -9.375 11.096 1.00 0.00 N ATOM 585 CA GLU A 40 14.118 -10.037 9.868 1.00 0.00 C ATOM 586 C GLU A 40 13.547 -9.329 8.643 1.00 0.00 C ATOM 587 O GLU A 40 13.012 -9.968 7.737 1.00 0.00 O ATOM 588 CB GLU A 40 13.679 -11.503 9.874 1.00 0.00 C ATOM 589 CG GLU A 40 12.191 -11.691 10.118 1.00 0.00 C ATOM 590 CD GLU A 40 11.774 -13.149 10.083 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.414 -13.965 10.778 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.809 -13.473 9.360 1.00 0.00 O ATOM 0 HA GLU A 40 15.206 -9.991 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.942 -11.956 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.235 -12.037 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.929 -11.265 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.630 -11.138 9.364 1.00 0.00 H new ATOM 599 N TRP A 41 13.664 -8.006 8.624 1.00 0.00 N ATOM 600 CA TRP A 41 13.160 -7.210 7.510 1.00 0.00 C ATOM 601 C TRP A 41 14.195 -6.185 7.061 1.00 0.00 C ATOM 602 O TRP A 41 15.219 -5.994 7.716 1.00 0.00 O ATOM 603 CB TRP A 41 11.863 -6.503 7.909 1.00 0.00 C ATOM 604 CG TRP A 41 10.855 -7.419 8.534 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.543 -8.688 8.137 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.026 -7.136 9.667 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.570 -9.211 8.955 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.237 -8.279 9.902 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.876 -6.029 10.507 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.311 -8.343 10.940 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.957 -6.095 11.537 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.185 -7.245 11.747 1.00 0.00 C ATOM 0 H TRP A 41 14.103 -7.462 9.367 1.00 0.00 H new ATOM 0 HA TRP A 41 12.958 -7.883 6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.096 -5.700 8.608 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.424 -6.040 7.026 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.994 -9.205 7.303 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.162 -10.142 8.871 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.467 -5.138 10.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.713 -9.228 11.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.832 -5.245 12.192 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.476 -7.265 12.562 1.00 0.00 H new ATOM 623 N LYS A 42 13.921 -5.527 5.939 1.00 0.00 N ATOM 624 CA LYS A 42 14.828 -4.519 5.402 1.00 0.00 C ATOM 625 C LYS A 42 14.503 -3.140 5.965 1.00 0.00 C ATOM 626 O LYS A 42 13.856 -2.325 5.306 1.00 0.00 O ATOM 627 CB LYS A 42 14.744 -4.491 3.874 1.00 0.00 C ATOM 628 CG LYS A 42 15.321 -5.729 3.210 1.00 0.00 C ATOM 629 CD LYS A 42 15.680 -5.466 1.757 1.00 0.00 C ATOM 630 CE LYS A 42 15.730 -6.756 0.953 1.00 0.00 C ATOM 631 NZ LYS A 42 16.860 -7.629 1.375 1.00 0.00 N ATOM 0 H LYS A 42 13.078 -5.674 5.384 1.00 0.00 H new ATOM 0 HA LYS A 42 15.843 -4.783 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.701 -4.383 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.272 -3.612 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.209 -6.053 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.598 -6.543 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.947 -4.790 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.647 -4.966 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.790 -7.295 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.829 -6.520 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.860 -8.498 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.759 -7.124 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.752 -7.875 2.380 1.00 0.00 H new ATOM 645 N LEU A 43 14.957 -2.883 7.187 1.00 0.00 N ATOM 646 CA LEU A 43 14.716 -1.600 7.839 1.00 0.00 C ATOM 647 C LEU A 43 16.018 -1.004 8.365 1.00 0.00 C ATOM 648 O LEU A 43 16.505 -1.391 9.427 1.00 0.00 O ATOM 649 CB LEU A 43 13.718 -1.768 8.986 1.00 0.00 C ATOM 650 CG LEU A 43 12.397 -2.451 8.631 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.763 -3.063 9.871 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.444 -1.462 7.975 1.00 0.00 C ATOM 0 H LEU A 43 15.494 -3.546 7.746 1.00 0.00 H new ATOM 0 HA LEU A 43 14.298 -0.917 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.199 -2.341 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.496 -0.782 9.395 1.00 0.00 H new ATOM 0 HG LEU A 43 12.603 -3.251 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.824 -3.545 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.440 -3.803 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.570 -2.281 10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.509 -1.966 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.243 -0.640 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.896 -1.071 7.063 1.00 0.00 H new ATOM 664 N ASN A 44 16.575 -0.058 7.617 1.00 0.00 N ATOM 665 CA ASN A 44 17.819 0.594 8.009 1.00 0.00 C ATOM 666 C ASN A 44 17.726 2.105 7.819 1.00 0.00 C ATOM 667 O ASN A 44 18.324 2.664 6.901 1.00 0.00 O ATOM 668 CB ASN A 44 18.989 0.038 7.194 1.00 0.00 C ATOM 669 CG ASN A 44 19.276 -1.417 7.514 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.719 -1.978 8.457 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.150 -2.034 6.727 1.00 0.00 N ATOM 0 H ASN A 44 16.184 0.275 6.735 1.00 0.00 H new ATOM 0 HA ASN A 44 17.990 0.389 9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.768 0.137 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.881 0.633 7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.384 -3.013 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 44 20.588 -1.529 5.956 1.00 0.00 H new ATOM 678 N GLY A 45 16.971 2.760 8.696 1.00 0.00 N ATOM 679 CA GLY A 45 16.813 4.200 8.608 1.00 0.00 C ATOM 680 C GLY A 45 16.812 4.697 7.176 1.00 0.00 C ATOM 681 O GLY A 45 17.848 5.107 6.654 1.00 0.00 O ATOM 0 H GLY A 45 16.466 2.319 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.880 4.490 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.620 4.685 9.157 1.00 0.00 H new ATOM 685 N GLN A 46 15.646 4.660 6.540 1.00 0.00 N ATOM 686 CA GLN A 46 15.515 5.108 5.158 1.00 0.00 C ATOM 687 C GLN A 46 14.089 5.564 4.867 1.00 0.00 C ATOM 688 O GLN A 46 13.236 5.575 5.753 1.00 0.00 O ATOM 689 CB GLN A 46 15.911 3.986 4.197 1.00 0.00 C ATOM 690 CG GLN A 46 15.138 2.696 4.416 1.00 0.00 C ATOM 691 CD GLN A 46 15.789 1.504 3.741 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.960 1.553 3.364 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.031 0.425 3.586 1.00 0.00 N ATOM 0 H GLN A 46 14.779 4.325 6.959 1.00 0.00 H new ATOM 0 HA GLN A 46 16.185 5.955 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.754 4.324 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.977 3.784 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.056 2.503 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.124 2.815 4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.065 0.429 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.415 -0.408 3.139 1.00 0.00 H new ATOM 702 N GLY A 47 13.838 5.942 3.617 1.00 0.00 N ATOM 703 CA GLY A 47 12.515 6.395 3.231 1.00 0.00 C ATOM 704 C GLY A 47 12.109 5.897 1.858 1.00 0.00 C ATOM 705 O GLY A 47 12.847 6.064 0.886 1.00 0.00 O ATOM 0 H GLY A 47 14.527 5.942 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.788 6.053 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.490 7.485 3.241 1.00 0.00 H new ATOM 709 N LEU A 48 10.934 5.283 1.776 1.00 0.00 N ATOM 710 CA LEU A 48 10.431 4.757 0.512 1.00 0.00 C ATOM 711 C LEU A 48 9.244 5.575 0.015 1.00 0.00 C ATOM 712 O LEU A 48 8.209 5.653 0.677 1.00 0.00 O ATOM 713 CB LEU A 48 10.023 3.291 0.673 1.00 0.00 C ATOM 714 CG LEU A 48 11.104 2.348 1.203 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.545 0.946 1.388 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.302 2.328 0.265 1.00 0.00 C ATOM 0 H LEU A 48 10.311 5.137 2.571 1.00 0.00 H new ATOM 0 HA LEU A 48 11.231 4.827 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.167 3.245 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.688 2.919 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 48 11.435 2.716 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.328 0.289 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.720 0.974 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.185 0.569 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.061 1.652 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.987 1.986 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.718 3.332 0.184 1.00 0.00 H new ATOM 728 N VAL A 49 9.400 6.183 -1.157 1.00 0.00 N ATOM 729 CA VAL A 49 8.340 6.993 -1.745 1.00 0.00 C ATOM 730 C VAL A 49 7.810 6.359 -3.027 1.00 0.00 C ATOM 731 O VAL A 49 8.570 5.786 -3.808 1.00 0.00 O ATOM 732 CB VAL A 49 8.830 8.420 -2.056 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.738 9.222 -2.746 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.290 9.114 -0.783 1.00 0.00 C ATOM 0 H VAL A 49 10.250 6.130 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 49 7.537 7.045 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 49 9.681 8.353 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.103 10.227 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.462 8.732 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.865 9.282 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.633 10.121 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.460 9.170 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.107 8.549 -0.335 1.00 0.00 H new ATOM 744 N PHE A 50 6.503 6.466 -3.237 1.00 0.00 N ATOM 745 CA PHE A 50 5.870 5.903 -4.424 1.00 0.00 C ATOM 746 C PHE A 50 4.682 6.754 -4.863 1.00 0.00 C ATOM 747 O PHE A 50 3.918 7.250 -4.034 1.00 0.00 O ATOM 748 CB PHE A 50 5.412 4.469 -4.151 1.00 0.00 C ATOM 749 CG PHE A 50 6.431 3.641 -3.422 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.577 3.204 -4.067 1.00 0.00 C ATOM 751 CD2 PHE A 50 6.244 3.300 -2.093 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.518 2.443 -3.399 1.00 0.00 C ATOM 753 CE2 PHE A 50 7.181 2.540 -1.419 1.00 0.00 C ATOM 754 CZ PHE A 50 8.319 2.110 -2.074 1.00 0.00 C ATOM 0 H PHE A 50 5.861 6.938 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 50 6.605 5.896 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.492 4.495 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.174 3.986 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.737 3.461 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.355 3.632 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.407 2.109 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.024 2.283 -0.382 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.052 1.514 -1.550 1.00 0.00 H new ATOM 764 N THR A 51 4.533 6.920 -6.174 1.00 0.00 N ATOM 765 CA THR A 51 3.441 7.712 -6.724 1.00 0.00 C ATOM 766 C THR A 51 2.330 6.817 -7.262 1.00 0.00 C ATOM 767 O THR A 51 2.502 6.139 -8.276 1.00 0.00 O ATOM 768 CB THR A 51 3.932 8.637 -7.854 1.00 0.00 C ATOM 769 OG1 THR A 51 4.984 8.000 -8.587 1.00 0.00 O ATOM 770 CG2 THR A 51 4.428 9.961 -7.292 1.00 0.00 C ATOM 0 H THR A 51 5.155 6.516 -6.874 1.00 0.00 H new ATOM 0 HA THR A 51 3.051 8.322 -5.909 1.00 0.00 H new ATOM 0 HB THR A 51 3.093 8.835 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.289 8.594 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.770 10.598 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.616 10.457 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.254 9.778 -6.605 1.00 0.00 H new ATOM 778 N LEU A 52 1.191 6.820 -6.579 1.00 0.00 N ATOM 779 CA LEU A 52 0.051 6.009 -6.989 1.00 0.00 C ATOM 780 C LEU A 52 -1.256 6.772 -6.803 1.00 0.00 C ATOM 781 O LEU A 52 -1.465 7.460 -5.803 1.00 0.00 O ATOM 782 CB LEU A 52 0.012 4.706 -6.188 1.00 0.00 C ATOM 783 CG LEU A 52 1.299 3.881 -6.185 1.00 0.00 C ATOM 784 CD1 LEU A 52 2.189 4.285 -5.020 1.00 0.00 C ATOM 785 CD2 LEU A 52 0.980 2.395 -6.125 1.00 0.00 C ATOM 0 H LEU A 52 1.032 7.375 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 52 0.166 5.775 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.245 4.945 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.793 4.085 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 52 1.837 4.079 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.100 3.687 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.446 5.341 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.659 4.117 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.908 1.823 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.420 2.180 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.383 2.116 -6.993 1.00 0.00 H new ATOM 797 N PRO A 53 -2.160 6.649 -7.787 1.00 0.00 N ATOM 798 CA PRO A 53 -3.463 7.319 -7.753 1.00 0.00 C ATOM 799 C PRO A 53 -4.390 6.730 -6.695 1.00 0.00 C ATOM 800 O PRO A 53 -4.220 5.585 -6.274 1.00 0.00 O ATOM 801 CB PRO A 53 -4.026 7.071 -9.155 1.00 0.00 C ATOM 802 CG PRO A 53 -3.352 5.826 -9.619 1.00 0.00 C ATOM 803 CD PRO A 53 -1.978 5.846 -9.008 1.00 0.00 C ATOM 0 HA PRO A 53 -3.372 8.374 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.109 6.950 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.814 7.908 -9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.906 4.942 -9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.295 5.796 -10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.625 4.840 -8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.246 6.295 -9.679 1.00 0.00 H new ATOM 811 N LEU A 54 -5.372 7.518 -6.270 1.00 0.00 N ATOM 812 CA LEU A 54 -6.327 7.074 -5.262 1.00 0.00 C ATOM 813 C LEU A 54 -7.539 6.414 -5.912 1.00 0.00 C ATOM 814 O LEU A 54 -8.558 7.062 -6.154 1.00 0.00 O ATOM 815 CB LEU A 54 -6.776 8.256 -4.401 1.00 0.00 C ATOM 816 CG LEU A 54 -5.829 8.661 -3.271 1.00 0.00 C ATOM 817 CD1 LEU A 54 -4.459 9.018 -3.825 1.00 0.00 C ATOM 818 CD2 LEU A 54 -6.408 9.827 -2.483 1.00 0.00 C ATOM 0 H LEU A 54 -5.527 8.468 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.832 6.338 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.923 9.118 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.746 8.015 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.715 7.813 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.799 9.304 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.041 8.156 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.554 9.851 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.721 10.102 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.552 10.679 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.367 9.536 -2.054 1.00 0.00 H new ATOM 830 N THR A 55 -7.423 5.120 -6.192 1.00 0.00 N ATOM 831 CA THR A 55 -8.508 4.371 -6.813 1.00 0.00 C ATOM 832 C THR A 55 -8.841 3.118 -6.012 1.00 0.00 C ATOM 833 O THR A 55 -10.009 2.767 -5.847 1.00 0.00 O ATOM 834 CB THR A 55 -8.157 3.966 -8.257 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.874 3.330 -8.289 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.150 5.180 -9.173 1.00 0.00 C ATOM 0 H THR A 55 -6.587 4.568 -5.998 1.00 0.00 H new ATOM 0 HA THR A 55 -9.377 5.029 -6.829 1.00 0.00 H new ATOM 0 HB THR A 55 -8.917 3.269 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.659 3.074 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.900 4.869 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.136 5.645 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.409 5.898 -8.820 1.00 0.00 H new ATOM 844 N ASP A 56 -7.807 2.447 -5.516 1.00 0.00 N ATOM 845 CA ASP A 56 -7.990 1.233 -4.729 1.00 0.00 C ATOM 846 C ASP A 56 -7.821 1.518 -3.241 1.00 0.00 C ATOM 847 O ASP A 56 -7.660 2.669 -2.835 1.00 0.00 O ATOM 848 CB ASP A 56 -6.995 0.159 -5.172 1.00 0.00 C ATOM 849 CG ASP A 56 -7.544 -0.718 -6.280 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.783 -0.774 -6.435 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.736 -1.349 -6.992 1.00 0.00 O ATOM 0 H ASP A 56 -6.834 2.723 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.004 0.870 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.077 0.637 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.732 -0.463 -4.317 1.00 0.00 H new ATOM 856 N GLN A 57 -7.860 0.464 -2.433 1.00 0.00 N ATOM 857 CA GLN A 57 -7.713 0.603 -0.989 1.00 0.00 C ATOM 858 C GLN A 57 -6.244 0.746 -0.602 1.00 0.00 C ATOM 859 O GLN A 57 -5.367 0.798 -1.465 1.00 0.00 O ATOM 860 CB GLN A 57 -8.325 -0.604 -0.274 1.00 0.00 C ATOM 861 CG GLN A 57 -9.845 -0.593 -0.257 1.00 0.00 C ATOM 862 CD GLN A 57 -10.435 -1.965 0.004 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.781 -2.836 0.579 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.678 -2.166 -0.419 1.00 0.00 N ATOM 0 H GLN A 57 -7.992 -0.495 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.241 1.506 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.982 -1.517 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.958 -0.633 0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.191 0.099 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.213 -0.219 -1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.184 -1.416 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.127 -3.070 -0.272 1.00 0.00 H new ATOM 873 N VAL A 58 -5.983 0.809 0.699 1.00 0.00 N ATOM 874 CA VAL A 58 -4.621 0.946 1.200 1.00 0.00 C ATOM 875 C VAL A 58 -3.822 -0.333 0.975 1.00 0.00 C ATOM 876 O VAL A 58 -2.593 -0.331 1.053 1.00 0.00 O ATOM 877 CB VAL A 58 -4.606 1.289 2.702 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.186 1.562 3.173 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.508 2.481 2.984 1.00 0.00 C ATOM 0 H VAL A 58 -6.697 0.767 1.426 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.160 1.763 0.644 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.989 0.433 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.195 1.802 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.571 0.678 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.773 2.402 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.486 2.710 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.156 3.345 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.529 2.243 2.685 1.00 0.00 H new ATOM 889 N SER A 59 -4.528 -1.424 0.694 1.00 0.00 N ATOM 890 CA SER A 59 -3.884 -2.711 0.461 1.00 0.00 C ATOM 891 C SER A 59 -2.858 -2.610 -0.664 1.00 0.00 C ATOM 892 O SER A 59 -1.761 -3.161 -0.571 1.00 0.00 O ATOM 893 CB SER A 59 -4.931 -3.773 0.117 1.00 0.00 C ATOM 894 OG SER A 59 -5.950 -3.237 -0.708 1.00 0.00 O ATOM 0 H SER A 59 -5.545 -1.442 0.622 1.00 0.00 H new ATOM 0 HA SER A 59 -3.367 -3.002 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.451 -4.610 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.370 -4.165 1.034 1.00 0.00 H new ATOM 0 HG SER A 59 -6.605 -3.936 -0.915 1.00 0.00 H new ATOM 900 N VAL A 60 -3.224 -1.902 -1.728 1.00 0.00 N ATOM 901 CA VAL A 60 -2.336 -1.726 -2.871 1.00 0.00 C ATOM 902 C VAL A 60 -1.074 -0.968 -2.475 1.00 0.00 C ATOM 903 O VAL A 60 -0.074 -0.989 -3.194 1.00 0.00 O ATOM 904 CB VAL A 60 -3.038 -0.972 -4.016 1.00 0.00 C ATOM 905 CG1 VAL A 60 -4.325 -1.678 -4.411 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.313 0.470 -3.613 1.00 0.00 C ATOM 0 H VAL A 60 -4.129 -1.441 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.063 -2.723 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.376 -0.964 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.807 -1.130 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.097 -2.691 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.995 -1.720 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.809 0.989 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.955 0.486 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.372 0.970 -3.384 1.00 0.00 H new ATOM 916 N ILE A 61 -1.128 -0.299 -1.329 1.00 0.00 N ATOM 917 CA ILE A 61 0.012 0.465 -0.837 1.00 0.00 C ATOM 918 C ILE A 61 0.950 -0.413 -0.016 1.00 0.00 C ATOM 919 O ILE A 61 2.171 -0.263 -0.076 1.00 0.00 O ATOM 920 CB ILE A 61 -0.440 1.659 0.025 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.298 2.618 -0.803 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.767 2.384 0.601 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.033 3.644 0.031 1.00 0.00 C ATOM 0 H ILE A 61 -1.948 -0.270 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 61 0.542 0.839 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.043 1.283 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.661 3.134 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.023 2.041 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.431 3.225 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.343 1.697 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.393 2.751 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.621 4.290 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.696 3.136 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.313 4.246 0.585 1.00 0.00 H new ATOM 935 N LYS A 62 0.372 -1.333 0.749 1.00 0.00 N ATOM 936 CA LYS A 62 1.155 -2.239 1.581 1.00 0.00 C ATOM 937 C LYS A 62 1.897 -3.260 0.723 1.00 0.00 C ATOM 938 O LYS A 62 3.048 -3.598 1.001 1.00 0.00 O ATOM 939 CB LYS A 62 0.247 -2.961 2.579 1.00 0.00 C ATOM 940 CG LYS A 62 -0.521 -2.021 3.492 1.00 0.00 C ATOM 941 CD LYS A 62 -1.113 -2.758 4.681 1.00 0.00 C ATOM 942 CE LYS A 62 -1.218 -1.855 5.901 1.00 0.00 C ATOM 943 NZ LYS A 62 0.025 -1.884 6.721 1.00 0.00 N ATOM 0 H LYS A 62 -0.637 -1.471 0.810 1.00 0.00 H new ATOM 0 HA LYS A 62 1.889 -1.647 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.462 -3.581 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.852 -3.632 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.143 -1.233 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.319 -1.537 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.102 -3.136 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.494 -3.623 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.418 -0.833 5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.064 -2.168 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.002 -1.115 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.095 -2.797 7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.852 -1.760 6.102 1.00 0.00 H new ATOM 957 N VAL A 63 1.232 -3.745 -0.320 1.00 0.00 N ATOM 958 CA VAL A 63 1.830 -4.725 -1.219 1.00 0.00 C ATOM 959 C VAL A 63 3.169 -4.232 -1.757 1.00 0.00 C ATOM 960 O VAL A 63 4.122 -5.002 -1.880 1.00 0.00 O ATOM 961 CB VAL A 63 0.898 -5.040 -2.405 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.885 -3.886 -3.396 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.322 -6.333 -3.085 1.00 0.00 C ATOM 0 H VAL A 63 0.279 -3.475 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 63 1.987 -5.634 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.115 -5.171 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.221 -4.127 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.531 -2.983 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.894 -3.720 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.653 -6.541 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.343 -6.232 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.274 -7.153 -2.369 1.00 0.00 H new ATOM 973 N LYS A 64 3.235 -2.944 -2.074 1.00 0.00 N ATOM 974 CA LYS A 64 4.458 -2.346 -2.596 1.00 0.00 C ATOM 975 C LYS A 64 5.610 -2.516 -1.612 1.00 0.00 C ATOM 976 O LYS A 64 6.703 -2.939 -1.989 1.00 0.00 O ATOM 977 CB LYS A 64 4.238 -0.860 -2.890 1.00 0.00 C ATOM 978 CG LYS A 64 3.079 -0.591 -3.833 1.00 0.00 C ATOM 979 CD LYS A 64 3.521 -0.630 -5.286 1.00 0.00 C ATOM 980 CE LYS A 64 2.360 -0.953 -6.214 1.00 0.00 C ATOM 981 NZ LYS A 64 2.775 -0.948 -7.644 1.00 0.00 N ATOM 0 H LYS A 64 2.455 -2.293 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 64 4.717 -2.859 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.061 -0.335 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.149 -0.445 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.297 -1.332 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.646 0.384 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.952 0.332 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.305 -1.377 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.951 -1.931 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.562 -0.225 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.956 -1.172 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.141 -0.008 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.518 -1.660 -7.792 1.00 0.00 H new ATOM 995 N ILE A 65 5.358 -2.184 -0.350 1.00 0.00 N ATOM 996 CA ILE A 65 6.374 -2.303 0.688 1.00 0.00 C ATOM 997 C ILE A 65 7.060 -3.664 0.633 1.00 0.00 C ATOM 998 O ILE A 65 8.243 -3.763 0.305 1.00 0.00 O ATOM 999 CB ILE A 65 5.772 -2.100 2.091 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.132 -0.715 2.200 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.842 -2.280 3.158 1.00 0.00 C ATOM 1002 CD1 ILE A 65 3.959 -0.664 3.152 1.00 0.00 C ATOM 0 H ILE A 65 4.459 -1.831 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 65 7.109 -1.521 0.501 1.00 0.00 H new ATOM 0 HB ILE A 65 4.998 -2.851 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.887 0.000 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.801 -0.398 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.401 -2.133 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.256 -3.286 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.636 -1.550 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.556 0.348 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.186 -1.354 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.289 -0.950 4.151 1.00 0.00 H new ATOM 1014 N HIS A 66 6.308 -4.712 0.955 1.00 0.00 N ATOM 1015 CA HIS A 66 6.843 -6.070 0.940 1.00 0.00 C ATOM 1016 C HIS A 66 7.681 -6.310 -0.312 1.00 0.00 C ATOM 1017 O HIS A 66 8.625 -7.098 -0.296 1.00 0.00 O ATOM 1018 CB HIS A 66 5.705 -7.089 1.009 1.00 0.00 C ATOM 1019 CG HIS A 66 6.175 -8.499 1.196 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.374 -9.371 0.146 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.487 -9.187 2.319 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.787 -10.535 0.616 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.864 -10.449 1.932 1.00 0.00 N ATOM 0 H HIS A 66 5.328 -4.648 1.229 1.00 0.00 H new ATOM 0 HA HIS A 66 7.484 -6.192 1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.040 -6.824 1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.118 -7.029 0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.447 -8.813 3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.022 -11.408 0.025 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.156 -11.199 2.559 1.00 0.00 H new ATOM 1032 N GLU A 67 7.328 -5.625 -1.396 1.00 0.00 N ATOM 1033 CA GLU A 67 8.048 -5.765 -2.656 1.00 0.00 C ATOM 1034 C GLU A 67 9.522 -5.410 -2.484 1.00 0.00 C ATOM 1035 O GLU A 67 10.404 -6.209 -2.797 1.00 0.00 O ATOM 1036 CB GLU A 67 7.419 -4.875 -3.730 1.00 0.00 C ATOM 1037 CG GLU A 67 7.479 -5.471 -5.126 1.00 0.00 C ATOM 1038 CD GLU A 67 8.821 -6.107 -5.432 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.117 -7.175 -4.858 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.575 -5.535 -6.247 1.00 0.00 O ATOM 0 H GLU A 67 6.548 -4.968 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 67 7.978 -6.806 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.378 -4.686 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.927 -3.910 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.694 -6.220 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.275 -4.691 -5.859 1.00 0.00 H new ATOM 1047 N ALA A 68 9.779 -4.206 -1.984 1.00 0.00 N ATOM 1048 CA ALA A 68 11.145 -3.745 -1.768 1.00 0.00 C ATOM 1049 C ALA A 68 11.724 -4.326 -0.483 1.00 0.00 C ATOM 1050 O ALA A 68 12.784 -4.955 -0.495 1.00 0.00 O ATOM 1051 CB ALA A 68 11.189 -2.224 -1.729 1.00 0.00 C ATOM 0 H ALA A 68 9.060 -3.532 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 68 11.756 -4.094 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.215 -1.894 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.824 -1.825 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.559 -1.862 -0.916 1.00 0.00 H new ATOM 1057 N THR A 69 11.024 -4.112 0.626 1.00 0.00 N ATOM 1058 CA THR A 69 11.470 -4.614 1.920 1.00 0.00 C ATOM 1059 C THR A 69 10.816 -5.952 2.246 1.00 0.00 C ATOM 1060 O THR A 69 9.732 -6.261 1.753 1.00 0.00 O ATOM 1061 CB THR A 69 11.155 -3.613 3.049 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.741 -3.543 3.261 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.692 -2.231 2.711 1.00 0.00 C ATOM 0 H THR A 69 10.146 -3.594 0.654 1.00 0.00 H new ATOM 0 HA THR A 69 12.550 -4.747 1.853 1.00 0.00 H new ATOM 0 HB THR A 69 11.641 -3.961 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.549 -2.906 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.458 -1.541 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.773 -2.283 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.231 -1.877 1.789 1.00 0.00 H new ATOM 1071 N GLY A 70 11.483 -6.743 3.081 1.00 0.00 N ATOM 1072 CA GLY A 70 10.951 -8.039 3.459 1.00 0.00 C ATOM 1073 C GLY A 70 9.916 -7.942 4.562 1.00 0.00 C ATOM 1074 O GLY A 70 9.875 -8.783 5.459 1.00 0.00 O ATOM 0 H GLY A 70 12.382 -6.509 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.503 -8.513 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.768 -8.682 3.787 1.00 0.00 H new ATOM 1078 N MET A 71 9.080 -6.911 4.498 1.00 0.00 N ATOM 1079 CA MET A 71 8.040 -6.707 5.500 1.00 0.00 C ATOM 1080 C MET A 71 6.670 -7.084 4.947 1.00 0.00 C ATOM 1081 O MET A 71 6.258 -6.629 3.880 1.00 0.00 O ATOM 1082 CB MET A 71 8.031 -5.250 5.967 1.00 0.00 C ATOM 1083 CG MET A 71 7.469 -5.064 7.367 1.00 0.00 C ATOM 1084 SD MET A 71 7.874 -3.453 8.069 1.00 0.00 S ATOM 1085 CE MET A 71 7.368 -3.690 9.771 1.00 0.00 C ATOM 0 H MET A 71 9.102 -6.204 3.763 1.00 0.00 H new ATOM 0 HA MET A 71 8.259 -7.353 6.351 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.049 -4.862 5.938 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.444 -4.656 5.267 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.386 -5.182 7.338 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.857 -5.848 8.017 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.608 -2.953 10.030 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.958 -4.693 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.230 -3.568 10.427 1.00 0.00 H new ATOM 1095 N PRO A 72 5.946 -7.937 5.687 1.00 0.00 N ATOM 1096 CA PRO A 72 4.611 -8.394 5.290 1.00 0.00 C ATOM 1097 C PRO A 72 3.570 -7.284 5.374 1.00 0.00 C ATOM 1098 O PRO A 72 3.785 -6.267 6.032 1.00 0.00 O ATOM 1099 CB PRO A 72 4.299 -9.499 6.302 1.00 0.00 C ATOM 1100 CG PRO A 72 5.121 -9.161 7.497 1.00 0.00 C ATOM 1101 CD PRO A 72 6.375 -8.521 6.969 1.00 0.00 C ATOM 0 HA PRO A 72 4.586 -8.728 4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.237 -9.524 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.559 -10.482 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.585 -8.481 8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.353 -10.055 8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.755 -7.760 7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.172 -9.252 6.831 1.00 0.00 H new ATOM 1109 N ALA A 73 2.440 -7.487 4.703 1.00 0.00 N ATOM 1110 CA ALA A 73 1.364 -6.504 4.705 1.00 0.00 C ATOM 1111 C ALA A 73 0.380 -6.768 5.839 1.00 0.00 C ATOM 1112 O ALA A 73 -0.798 -7.035 5.603 1.00 0.00 O ATOM 1113 CB ALA A 73 0.642 -6.509 3.365 1.00 0.00 C ATOM 0 H ALA A 73 2.247 -8.323 4.152 1.00 0.00 H new ATOM 0 HA ALA A 73 1.805 -5.520 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.159 -5.770 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.347 -6.263 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.220 -7.497 3.183 1.00 0.00 H new ATOM 1119 N GLY A 74 0.871 -6.694 7.073 1.00 0.00 N ATOM 1120 CA GLY A 74 0.021 -6.929 8.225 1.00 0.00 C ATOM 1121 C GLY A 74 0.664 -6.477 9.521 1.00 0.00 C ATOM 1122 O GLY A 74 0.033 -5.800 10.334 1.00 0.00 O ATOM 0 H GLY A 74 1.842 -6.475 7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.924 -6.403 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.212 -7.992 8.290 1.00 0.00 H new ATOM 1126 N LYS A 75 1.923 -6.852 9.718 1.00 0.00 N ATOM 1127 CA LYS A 75 2.653 -6.482 10.925 1.00 0.00 C ATOM 1128 C LYS A 75 3.005 -4.998 10.915 1.00 0.00 C ATOM 1129 O LYS A 75 3.016 -4.347 11.959 1.00 0.00 O ATOM 1130 CB LYS A 75 3.929 -7.318 11.050 1.00 0.00 C ATOM 1131 CG LYS A 75 3.717 -8.651 11.747 1.00 0.00 C ATOM 1132 CD LYS A 75 5.009 -9.177 12.350 1.00 0.00 C ATOM 1133 CE LYS A 75 5.249 -8.605 13.739 1.00 0.00 C ATOM 1134 NZ LYS A 75 4.213 -9.053 14.710 1.00 0.00 N ATOM 0 H LYS A 75 2.460 -7.413 9.056 1.00 0.00 H new ATOM 0 HA LYS A 75 2.010 -6.679 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.334 -7.499 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.676 -6.745 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.968 -8.538 12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.325 -9.377 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.970 -10.265 12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.846 -8.921 11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.234 -8.910 14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.252 -7.516 13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.603 -9.020 15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.386 -8.426 14.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.926 -10.027 14.486 1.00 0.00 H new ATOM 1148 N GLN A 76 3.289 -4.470 9.728 1.00 0.00 N ATOM 1149 CA GLN A 76 3.639 -3.062 9.584 1.00 0.00 C ATOM 1150 C GLN A 76 2.405 -2.177 9.723 1.00 0.00 C ATOM 1151 O GLN A 76 1.424 -2.342 8.997 1.00 0.00 O ATOM 1152 CB GLN A 76 4.307 -2.817 8.230 1.00 0.00 C ATOM 1153 CG GLN A 76 3.427 -3.178 7.044 1.00 0.00 C ATOM 1154 CD GLN A 76 4.124 -2.965 5.714 1.00 0.00 C ATOM 1155 OE1 GLN A 76 4.742 -1.925 5.483 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.030 -3.953 4.831 1.00 0.00 N ATOM 0 H GLN A 76 3.283 -4.995 8.854 1.00 0.00 H new ATOM 0 HA GLN A 76 4.339 -2.805 10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.588 -1.766 8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.228 -3.397 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.122 -4.221 7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.518 -2.577 7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.508 -4.798 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.480 -3.867 3.920 1.00 0.00 H new ATOM 1165 N LYS A 77 2.459 -1.237 10.661 1.00 0.00 N ATOM 1166 CA LYS A 77 1.346 -0.324 10.895 1.00 0.00 C ATOM 1167 C LYS A 77 1.552 0.988 10.146 1.00 0.00 C ATOM 1168 O LYS A 77 2.450 1.766 10.470 1.00 0.00 O ATOM 1169 CB LYS A 77 1.192 -0.050 12.393 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.247 0.163 12.827 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.327 0.752 14.226 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.340 -0.335 15.289 1.00 0.00 C ATOM 1173 NZ LYS A 77 1.030 -0.643 15.784 1.00 0.00 N ATOM 0 H LYS A 77 3.262 -1.088 11.272 1.00 0.00 H new ATOM 0 HA LYS A 77 0.437 -0.795 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.611 -0.887 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.776 0.832 12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.746 0.828 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.780 -0.787 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.523 1.414 14.392 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.227 1.360 14.315 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.965 -0.019 16.124 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.790 -1.239 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.971 -1.327 16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.595 -1.049 15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.482 0.231 16.122 1.00 0.00 H new ATOM 1187 N LEU A 78 0.714 1.229 9.143 1.00 0.00 N ATOM 1188 CA LEU A 78 0.803 2.449 8.348 1.00 0.00 C ATOM 1189 C LEU A 78 0.004 3.578 8.992 1.00 0.00 C ATOM 1190 O LEU A 78 -1.224 3.529 9.045 1.00 0.00 O ATOM 1191 CB LEU A 78 0.295 2.194 6.928 1.00 0.00 C ATOM 1192 CG LEU A 78 1.225 1.394 6.016 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.756 1.477 4.571 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.656 1.894 6.143 1.00 0.00 C ATOM 0 H LEU A 78 -0.034 0.596 8.861 1.00 0.00 H new ATOM 0 HA LEU A 78 1.850 2.749 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.658 1.668 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.096 3.156 6.456 1.00 0.00 H new ATOM 0 HG LEU A 78 1.197 0.350 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.430 0.902 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.252 1.071 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.754 2.518 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.304 1.313 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.701 2.945 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.990 1.782 7.174 1.00 0.00 H new ATOM 1206 N GLN A 79 0.711 4.594 9.477 1.00 0.00 N ATOM 1207 CA GLN A 79 0.067 5.736 10.115 1.00 0.00 C ATOM 1208 C GLN A 79 0.102 6.959 9.205 1.00 0.00 C ATOM 1209 O GLN A 79 1.119 7.246 8.574 1.00 0.00 O ATOM 1210 CB GLN A 79 0.750 6.055 11.446 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.136 6.821 12.416 1.00 0.00 C ATOM 1212 CD GLN A 79 0.658 7.524 13.499 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.745 8.045 13.250 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.117 7.543 14.712 1.00 0.00 N ATOM 0 H GLN A 79 1.729 4.649 9.440 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.975 5.476 10.303 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.067 5.123 11.915 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.651 6.637 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.722 7.556 11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.843 6.132 12.878 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.787 7.099 14.874 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.605 8.002 15.481 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.014 7.676 9.143 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.112 8.868 8.308 1.00 0.00 C ATOM 1225 C TYR A 80 -1.805 10.002 9.057 1.00 0.00 C ATOM 1226 O TYR A 80 -3.007 9.945 9.316 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.873 8.552 7.020 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.483 9.770 6.363 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.684 10.812 5.909 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.858 9.879 6.198 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.236 11.927 5.309 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.419 10.990 5.597 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.604 12.011 5.155 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.160 13.119 4.558 1.00 0.00 O ATOM 0 H TYR A 80 -1.864 7.453 9.661 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.101 9.188 8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.194 8.071 6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.663 7.835 7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.612 10.749 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.499 9.082 6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.600 12.728 4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.490 11.058 5.474 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.529 13.492 3.908 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.037 11.032 9.401 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.577 12.180 10.120 1.00 0.00 C ATOM 1246 C GLU A 81 -2.189 11.750 11.450 1.00 0.00 C ATOM 1247 O GLU A 81 -3.311 12.132 11.782 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.629 12.894 9.269 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.037 13.821 8.220 1.00 0.00 C ATOM 1250 CD GLU A 81 -1.743 15.205 8.765 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -1.016 15.301 9.776 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -2.239 16.191 8.182 1.00 0.00 O ATOM 0 H GLU A 81 -0.040 11.095 9.193 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.756 12.868 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.250 12.148 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.283 13.470 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.117 13.384 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.729 13.904 7.382 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.443 10.951 12.207 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.929 10.482 13.492 1.00 0.00 C ATOM 1261 C GLY A 82 -3.142 9.583 13.360 1.00 0.00 C ATOM 1262 O GLY A 82 -3.986 9.533 14.256 1.00 0.00 O ATOM 0 H GLY A 82 -0.512 10.620 11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.133 9.940 14.002 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.182 11.339 14.116 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.231 8.873 12.241 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.351 7.972 11.995 1.00 0.00 C ATOM 1268 C ILE A 83 -3.865 6.556 11.707 1.00 0.00 C ATOM 1269 O ILE A 83 -2.777 6.360 11.164 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.215 8.457 10.816 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.701 9.886 11.065 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.394 7.519 10.603 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.179 10.588 9.813 1.00 0.00 C ATOM 0 H ILE A 83 -2.541 8.904 11.490 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.957 7.967 12.901 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.606 8.454 9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.513 9.864 11.792 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.891 10.464 11.510 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.995 7.875 9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.026 6.516 10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.006 7.493 11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.509 11.596 10.064 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.363 10.642 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.010 10.032 9.379 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.679 5.571 12.071 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.332 4.172 11.851 1.00 0.00 C ATOM 1287 C PHE A 84 -5.068 3.614 10.636 1.00 0.00 C ATOM 1288 O PHE A 84 -6.118 2.984 10.768 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.668 3.340 13.091 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.736 3.580 14.244 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.373 3.373 14.105 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.223 4.013 15.467 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.514 3.592 15.165 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.368 4.234 16.530 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.012 4.025 16.379 1.00 0.00 C ATOM 0 H PHE A 84 -5.584 5.716 12.520 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.260 4.115 11.663 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.687 3.566 13.405 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.642 2.283 12.827 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.978 3.037 13.158 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.283 4.180 15.591 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.454 3.425 15.045 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.761 4.570 17.478 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.342 4.199 17.208 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.510 3.851 9.454 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.112 3.373 8.215 1.00 0.00 C ATOM 1307 C ILE A 85 -4.831 1.889 8.005 1.00 0.00 C ATOM 1308 O ILE A 85 -3.753 1.396 8.338 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.594 4.159 6.997 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.071 4.041 6.895 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.011 5.619 7.092 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.550 4.148 5.480 1.00 0.00 C ATOM 0 H ILE A 85 -3.642 4.371 9.328 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.187 3.528 8.306 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.034 3.733 6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.613 4.822 7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.760 3.085 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.637 6.161 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.099 5.686 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.596 6.057 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.464 4.056 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.980 3.351 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.830 5.114 5.061 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.808 1.180 7.450 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.667 -0.248 7.191 1.00 0.00 C ATOM 1326 C LYS A 86 -5.957 -0.567 5.728 1.00 0.00 C ATOM 1327 O LYS A 86 -6.368 0.305 4.962 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.609 -1.046 8.095 1.00 0.00 C ATOM 1329 CG LYS A 86 -6.040 -1.320 9.476 1.00 0.00 C ATOM 1330 CD LYS A 86 -6.404 -0.219 10.458 1.00 0.00 C ATOM 1331 CE LYS A 86 -5.661 -0.379 11.775 1.00 0.00 C ATOM 1332 NZ LYS A 86 -6.169 -1.537 12.561 1.00 0.00 N ATOM 0 H LYS A 86 -6.707 1.572 7.171 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.637 -0.532 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.547 -0.501 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.844 -1.995 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.417 -2.275 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.955 -1.408 9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.168 0.752 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.478 -0.234 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.597 -0.512 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.764 0.533 12.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.637 -1.612 13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.178 -1.398 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.047 -2.411 12.010 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.742 -1.821 5.347 1.00 0.00 N ATOM 1347 CA ASP A 87 -5.983 -2.256 3.976 1.00 0.00 C ATOM 1348 C ASP A 87 -7.478 -2.384 3.701 1.00 0.00 C ATOM 1349 O ASP A 87 -7.936 -2.146 2.584 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.287 -3.593 3.713 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.178 -4.444 4.962 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.481 -4.023 5.908 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -5.790 -5.533 4.993 1.00 0.00 O ATOM 0 H ASP A 87 -5.401 -2.555 5.968 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.572 -1.503 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.838 -4.142 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.289 -3.408 3.315 1.00 0.00 H new ATOM 1358 N SER A 88 -8.233 -2.761 4.728 1.00 0.00 N ATOM 1359 CA SER A 88 -9.676 -2.925 4.596 1.00 0.00 C ATOM 1360 C SER A 88 -10.349 -1.591 4.288 1.00 0.00 C ATOM 1361 O SER A 88 -11.419 -1.548 3.682 1.00 0.00 O ATOM 1362 CB SER A 88 -10.262 -3.521 5.877 1.00 0.00 C ATOM 1363 OG SER A 88 -10.012 -2.681 6.991 1.00 0.00 O ATOM 0 H SER A 88 -7.870 -2.959 5.660 1.00 0.00 H new ATOM 0 HA SER A 88 -9.865 -3.607 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.336 -3.662 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.829 -4.505 6.055 1.00 0.00 H new ATOM 0 HG SER A 88 -10.398 -3.083 7.797 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.712 -0.503 4.710 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.248 0.834 4.480 1.00 0.00 C ATOM 1371 C ASN A 89 -9.744 1.402 3.157 1.00 0.00 C ATOM 1372 O ASN A 89 -8.592 1.191 2.778 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.859 1.766 5.630 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.718 1.554 6.862 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.427 2.459 7.301 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.657 0.353 7.426 1.00 0.00 N ATOM 0 H ASN A 89 -8.825 -0.521 5.213 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.334 0.760 4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.812 1.603 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.949 2.801 5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.212 0.151 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.055 -0.368 7.028 1.00 0.00 H new ATOM 1383 N SER A 90 -10.615 2.124 2.460 1.00 0.00 N ATOM 1384 CA SER A 90 -10.260 2.721 1.178 1.00 0.00 C ATOM 1385 C SER A 90 -9.482 4.018 1.379 1.00 0.00 C ATOM 1386 O SER A 90 -9.570 4.651 2.432 1.00 0.00 O ATOM 1387 CB SER A 90 -11.518 2.990 0.350 1.00 0.00 C ATOM 1388 OG SER A 90 -12.312 1.822 0.235 1.00 0.00 O ATOM 0 H SER A 90 -11.572 2.310 2.761 1.00 0.00 H new ATOM 0 HA SER A 90 -9.625 2.016 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.100 3.785 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.236 3.341 -0.643 1.00 0.00 H new ATOM 0 HG SER A 90 -13.111 2.020 -0.297 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.722 4.408 0.362 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.928 5.631 0.425 1.00 0.00 C ATOM 1396 C LEU A 91 -8.818 6.864 0.317 1.00 0.00 C ATOM 1397 O LEU A 91 -8.887 7.675 1.241 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.884 5.642 -0.693 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.605 4.849 -0.425 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.890 4.532 -1.729 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.687 5.618 0.515 1.00 0.00 C ATOM 0 H LEU A 91 -8.638 3.896 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.420 5.656 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.347 5.251 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.610 6.677 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.878 3.909 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.982 3.967 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.545 3.940 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.630 5.461 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.782 5.038 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.422 6.574 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.199 5.793 1.461 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.500 6.999 -0.815 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.390 8.132 -1.042 1.00 0.00 C ATOM 1415 C ALA A 92 -11.166 8.481 0.223 1.00 0.00 C ATOM 1416 O ALA A 92 -11.206 9.639 0.639 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.347 7.830 -2.185 1.00 0.00 C ATOM 0 H ALA A 92 -9.454 6.338 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.780 8.994 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.005 8.684 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.778 7.637 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.944 6.953 -1.937 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.784 7.473 0.830 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.562 7.675 2.046 1.00 0.00 C ATOM 1425 C TYR A 93 -11.811 8.563 3.033 1.00 0.00 C ATOM 1426 O TYR A 93 -12.397 9.445 3.662 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.886 6.329 2.698 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.621 6.455 4.013 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.928 6.661 5.201 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -15.006 6.368 4.070 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.595 6.775 6.405 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.681 6.484 5.270 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.971 6.687 6.435 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.640 6.801 7.632 1.00 0.00 O ATOM 0 H TYR A 93 -11.761 6.508 0.499 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.492 8.173 1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.489 5.737 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.958 5.781 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.851 6.733 5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.565 6.207 3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.041 6.932 7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.759 6.416 5.296 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.604 6.717 7.477 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.511 8.324 3.162 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.678 9.100 4.073 1.00 0.00 C ATOM 1446 C TYR A 94 -9.469 10.517 3.547 1.00 0.00 C ATOM 1447 O TYR A 94 -9.251 11.451 4.317 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.326 8.413 4.273 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.413 7.123 5.057 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -9.036 7.082 6.298 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.872 5.945 4.555 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.116 5.905 7.017 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.949 4.764 5.267 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.571 4.749 6.498 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.651 3.575 7.211 1.00 0.00 O ATOM 0 H TYR A 94 -10.011 7.599 2.647 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.192 9.160 5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.885 8.207 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.653 9.097 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.465 7.985 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.383 5.953 3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.603 5.890 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.525 3.857 4.862 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.313 3.671 7.927 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.537 10.667 2.228 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.355 11.969 1.596 1.00 0.00 C ATOM 1467 C ASN A 95 -7.952 12.509 1.858 1.00 0.00 C ATOM 1468 O ASN A 95 -7.788 13.629 2.340 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.400 12.960 2.113 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.811 12.574 1.713 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.413 13.199 0.839 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.346 11.541 2.353 1.00 0.00 N ATOM 0 H ASN A 95 -9.717 9.903 1.576 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.482 11.845 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.336 13.017 3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.175 13.955 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.293 11.236 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.810 11.052 3.070 1.00 0.00 H new ATOM 1479 N MET A 96 -6.945 11.704 1.535 1.00 0.00 N ATOM 1480 CA MET A 96 -5.556 12.102 1.733 1.00 0.00 C ATOM 1481 C MET A 96 -5.179 13.245 0.796 1.00 0.00 C ATOM 1482 O MET A 96 -6.009 13.728 0.026 1.00 0.00 O ATOM 1483 CB MET A 96 -4.624 10.911 1.504 1.00 0.00 C ATOM 1484 CG MET A 96 -4.883 9.746 2.446 1.00 0.00 C ATOM 1485 SD MET A 96 -3.625 8.461 2.324 1.00 0.00 S ATOM 1486 CE MET A 96 -4.126 7.370 3.653 1.00 0.00 C ATOM 0 H MET A 96 -7.065 10.773 1.135 1.00 0.00 H new ATOM 0 HA MET A 96 -5.446 12.447 2.761 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.733 10.567 0.475 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.592 11.240 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.922 10.115 3.471 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.859 9.315 2.225 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.993 6.334 3.343 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.516 7.566 4.534 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.175 7.545 3.892 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.923 13.674 0.869 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.437 14.760 0.026 1.00 0.00 C ATOM 1498 C ALA A 97 -2.021 14.481 -0.465 1.00 0.00 C ATOM 1499 O ALA A 97 -1.222 13.859 0.235 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.485 16.078 0.783 1.00 0.00 C ATOM 0 H ALA A 97 -3.224 13.286 1.503 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.089 14.831 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.119 16.880 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.512 16.290 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.858 16.010 1.672 1.00 0.00 H new ATOM 1506 N SER A 98 -1.716 14.944 -1.673 1.00 0.00 N ATOM 1507 CA SER A 98 -0.397 14.740 -2.260 1.00 0.00 C ATOM 1508 C SER A 98 0.702 15.125 -1.273 1.00 0.00 C ATOM 1509 O SER A 98 0.430 15.686 -0.212 1.00 0.00 O ATOM 1510 CB SER A 98 -0.254 15.559 -3.544 1.00 0.00 C ATOM 1511 OG SER A 98 -0.147 16.942 -3.258 1.00 0.00 O ATOM 0 H SER A 98 -2.365 15.463 -2.265 1.00 0.00 H new ATOM 0 HA SER A 98 -0.293 13.682 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.628 15.229 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.115 15.383 -4.189 1.00 0.00 H new ATOM 0 HG SER A 98 -0.055 17.443 -4.095 1.00 0.00 H new ATOM 1517 N GLY A 99 1.945 14.819 -1.632 1.00 0.00 N ATOM 1518 CA GLY A 99 3.067 15.139 -0.769 1.00 0.00 C ATOM 1519 C GLY A 99 2.838 14.703 0.665 1.00 0.00 C ATOM 1520 O GLY A 99 3.263 15.379 1.601 1.00 0.00 O ATOM 0 H GLY A 99 2.195 14.355 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.966 14.657 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.246 16.214 -0.795 1.00 0.00 H new ATOM 1524 N ALA A 100 2.163 13.572 0.837 1.00 0.00 N ATOM 1525 CA ALA A 100 1.878 13.046 2.167 1.00 0.00 C ATOM 1526 C ALA A 100 3.053 12.233 2.698 1.00 0.00 C ATOM 1527 O ALA A 100 4.045 12.025 1.999 1.00 0.00 O ATOM 1528 CB ALA A 100 0.615 12.199 2.140 1.00 0.00 C ATOM 0 H ALA A 100 1.803 13.002 0.072 1.00 0.00 H new ATOM 0 HA ALA A 100 1.721 13.890 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.414 11.813 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.226 12.810 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.750 11.366 1.450 1.00 0.00 H new ATOM 1534 N VAL A 101 2.935 11.774 3.940 1.00 0.00 N ATOM 1535 CA VAL A 101 3.988 10.982 4.566 1.00 0.00 C ATOM 1536 C VAL A 101 3.400 9.865 5.421 1.00 0.00 C ATOM 1537 O VAL A 101 2.708 10.122 6.406 1.00 0.00 O ATOM 1538 CB VAL A 101 4.903 11.857 5.442 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.088 12.600 6.490 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.982 11.009 6.098 1.00 0.00 C ATOM 0 H VAL A 101 2.121 11.937 4.533 1.00 0.00 H new ATOM 0 HA VAL A 101 4.578 10.546 3.760 1.00 0.00 H new ATOM 0 HB VAL A 101 5.390 12.595 4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.752 13.213 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.356 13.239 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.572 11.881 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.620 11.644 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.516 10.247 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.585 10.527 5.328 1.00 0.00 H new ATOM 1550 N ILE A 102 3.682 8.624 5.038 1.00 0.00 N ATOM 1551 CA ILE A 102 3.182 7.467 5.770 1.00 0.00 C ATOM 1552 C ILE A 102 4.229 6.941 6.747 1.00 0.00 C ATOM 1553 O ILE A 102 5.223 6.337 6.343 1.00 0.00 O ATOM 1554 CB ILE A 102 2.770 6.331 4.816 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.720 6.827 3.820 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.240 5.142 5.604 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.370 7.093 4.448 1.00 0.00 C ATOM 0 H ILE A 102 4.254 8.394 4.225 1.00 0.00 H new ATOM 0 HA ILE A 102 2.305 7.800 6.325 1.00 0.00 H new ATOM 0 HB ILE A 102 3.649 6.009 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.080 7.742 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.604 6.087 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.953 4.348 4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.016 4.776 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.371 5.449 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.324 7.442 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.012 6.174 4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.472 7.855 5.220 1.00 0.00 H new ATOM 1569 N HIS A 103 3.998 7.174 8.035 1.00 0.00 N ATOM 1570 CA HIS A 103 4.920 6.721 9.071 1.00 0.00 C ATOM 1571 C HIS A 103 4.786 5.219 9.299 1.00 0.00 C ATOM 1572 O HIS A 103 3.687 4.711 9.527 1.00 0.00 O ATOM 1573 CB HIS A 103 4.662 7.473 10.377 1.00 0.00 C ATOM 1574 CG HIS A 103 4.818 8.957 10.255 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.764 9.674 10.958 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.144 9.860 9.505 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.663 10.954 10.647 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.688 11.094 9.767 1.00 0.00 N ATOM 0 H HIS A 103 3.181 7.673 8.386 1.00 0.00 H new ATOM 0 HA HIS A 103 5.936 6.930 8.735 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.653 7.249 10.722 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.348 7.105 11.140 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.330 9.650 8.827 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.274 11.751 11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.388 11.975 9.350 1.00 0.00 H new ATOM 1587 N LEU A 104 5.909 4.513 9.236 1.00 0.00 N ATOM 1588 CA LEU A 104 5.917 3.068 9.436 1.00 0.00 C ATOM 1589 C LEU A 104 6.023 2.723 10.918 1.00 0.00 C ATOM 1590 O LEU A 104 6.800 3.332 11.653 1.00 0.00 O ATOM 1591 CB LEU A 104 7.079 2.434 8.669 1.00 0.00 C ATOM 1592 CG LEU A 104 6.997 0.922 8.455 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.755 0.563 7.654 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.250 0.413 7.758 1.00 0.00 C ATOM 0 H LEU A 104 6.826 4.918 9.048 1.00 0.00 H new ATOM 0 HA LEU A 104 4.977 2.669 9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.150 2.915 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.004 2.656 9.202 1.00 0.00 H new ATOM 0 HG LEU A 104 6.927 0.440 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.713 -0.517 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.867 0.892 8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.794 1.056 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.174 -0.665 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.352 0.902 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.123 0.636 8.371 1.00 0.00 H new ATOM 1606 N ALA A 105 5.238 1.741 11.349 1.00 0.00 N ATOM 1607 CA ALA A 105 5.246 1.313 12.742 1.00 0.00 C ATOM 1608 C ALA A 105 5.180 -0.207 12.849 1.00 0.00 C ATOM 1609 O ALA A 105 5.048 -0.905 11.843 1.00 0.00 O ATOM 1610 CB ALA A 105 4.088 1.948 13.497 1.00 0.00 C ATOM 0 H ALA A 105 4.589 1.227 10.753 1.00 0.00 H new ATOM 0 HA ALA A 105 6.182 1.643 13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.107 1.619 14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.180 3.033 13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.146 1.647 13.038 1.00 0.00 H new ATOM 1616 N LEU A 106 5.271 -0.714 14.074 1.00 0.00 N ATOM 1617 CA LEU A 106 5.222 -2.152 14.312 1.00 0.00 C ATOM 1618 C LEU A 106 3.977 -2.530 15.108 1.00 0.00 C ATOM 1619 O LEU A 106 3.810 -2.114 16.255 1.00 0.00 O ATOM 1620 CB LEU A 106 6.476 -2.608 15.059 1.00 0.00 C ATOM 1621 CG LEU A 106 6.384 -3.964 15.761 1.00 0.00 C ATOM 1622 CD1 LEU A 106 6.163 -5.076 14.748 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.640 -4.227 16.579 1.00 0.00 C ATOM 0 H LEU A 106 5.379 -0.150 14.917 1.00 0.00 H new ATOM 0 HA LEU A 106 5.179 -2.654 13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.304 -2.644 14.351 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.726 -1.852 15.804 1.00 0.00 H new ATOM 0 HG LEU A 106 5.531 -3.944 16.439 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.100 -6.033 15.266 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.235 -4.895 14.206 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.995 -5.098 14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.557 -5.196 17.071 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.509 -4.227 15.921 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.755 -3.446 17.331 1.00 0.00 H new ATOM 1635 N LYS A 107 3.105 -3.322 14.493 1.00 0.00 N ATOM 1636 CA LYS A 107 1.876 -3.759 15.144 1.00 0.00 C ATOM 1637 C LYS A 107 2.181 -4.481 16.453 1.00 0.00 C ATOM 1638 O LYS A 107 3.026 -5.374 16.497 1.00 0.00 O ATOM 1639 CB LYS A 107 1.082 -4.680 14.214 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.303 -5.023 14.735 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.893 -6.218 14.005 1.00 0.00 C ATOM 1642 CE LYS A 107 -2.273 -6.570 14.539 1.00 0.00 C ATOM 1643 NZ LYS A 107 -3.302 -5.583 14.110 1.00 0.00 N ATOM 0 H LYS A 107 3.227 -3.674 13.544 1.00 0.00 H new ATOM 0 HA LYS A 107 1.278 -2.875 15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.986 -4.203 13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.643 -5.602 14.064 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.248 -5.238 15.802 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.961 -4.162 14.617 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.959 -5.999 12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.230 -7.076 14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.555 -7.563 14.190 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.241 -6.612 15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.237 -5.885 14.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.074 -4.649 14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.315 -5.524 13.072 1.00 0.00 H new