USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 63 THR OG1 : rot -58:sc= 1.2 USER MOD Set 1.2: A 94 SER OG : rot 171:sc= 1.46 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -0.749 K(o=-1.5,f=2) USER MOD Set 2.2: A 92 THR OG1 : rot 160:sc= -0.763 USER MOD Set 3.1: A 17 LYS NZ :NH3+ -164:sc= -3.21 (180deg=-3.95!) USER MOD Set 3.2: A 85 THR OG1 : rot -55:sc= 0.889 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.6) USER MOD Single : A 46 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.084) USER MOD Single : A 53 SER OG : rot -95:sc= 0.684 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.3 K(o=-3.3,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 170:sc= -2.33! USER MOD Single : A 79 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.72! C(o=-2.7!,f=-8.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 90 SER OG : rot 32:sc= 0.00685 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.940 1.363 -10.257 1.00 0.00 N ATOM 104 CA ARG A 11 4.232 -0.057 -10.418 1.00 0.00 C ATOM 105 C ARG A 11 3.221 -0.909 -9.656 1.00 0.00 C ATOM 106 O ARG A 11 3.123 -0.825 -8.432 1.00 0.00 O ATOM 107 CB ARG A 11 5.648 -0.367 -9.929 1.00 0.00 C ATOM 108 CG ARG A 11 6.135 -1.754 -10.314 1.00 0.00 C ATOM 109 CD ARG A 11 7.146 -2.288 -9.312 1.00 0.00 C ATOM 110 NE ARG A 11 8.468 -1.695 -9.499 1.00 0.00 N ATOM 111 CZ ARG A 11 9.482 -1.881 -8.662 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.328 -2.641 -7.587 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.655 -1.308 -8.901 1.00 0.00 N ATOM 0 HA ARG A 11 4.160 -0.299 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.334 0.376 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.678 -0.269 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.286 -2.435 -10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.587 -1.720 -11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.797 -2.083 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.217 -3.371 -9.411 1.00 0.00 H new ATOM 0 HE ARG A 11 8.621 -1.106 -10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.429 -3.085 -7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.109 -2.782 -6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.778 -0.724 -9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.433 -1.451 -8.257 1.00 0.00 H new ATOM 127 N GLU A 12 2.473 -1.728 -10.389 1.00 0.00 N ATOM 128 CA GLU A 12 1.470 -2.594 -9.781 1.00 0.00 C ATOM 129 C GLU A 12 2.063 -3.958 -9.440 1.00 0.00 C ATOM 130 O GLU A 12 2.353 -4.761 -10.327 1.00 0.00 O ATOM 131 CB GLU A 12 0.275 -2.766 -10.722 1.00 0.00 C ATOM 132 CG GLU A 12 -0.801 -1.710 -10.538 1.00 0.00 C ATOM 133 CD GLU A 12 -1.715 -1.592 -11.743 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.360 -0.856 -12.687 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.785 -2.237 -11.741 1.00 0.00 O ATOM 0 H GLU A 12 2.543 -1.810 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 12 1.132 -2.123 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.628 -2.737 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.163 -3.751 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.396 -1.953 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.330 -0.746 -10.348 1.00 0.00 H new ATOM 142 N VAL A 13 2.242 -4.212 -8.148 1.00 0.00 N ATOM 143 CA VAL A 13 2.800 -5.479 -7.688 1.00 0.00 C ATOM 144 C VAL A 13 1.709 -6.398 -7.152 1.00 0.00 C ATOM 145 O VAL A 13 1.144 -6.153 -6.085 1.00 0.00 O ATOM 146 CB VAL A 13 3.857 -5.260 -6.589 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.436 -6.590 -6.132 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.957 -4.333 -7.085 1.00 0.00 C ATOM 0 H VAL A 13 2.009 -3.558 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 13 3.274 -5.948 -8.550 1.00 0.00 H new ATOM 0 HB VAL A 13 3.374 -4.788 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.181 -6.415 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.638 -7.217 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.905 -7.093 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.695 -4.189 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.439 -4.775 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.526 -3.370 -7.358 1.00 0.00 H new ATOM 158 N HIS A 14 1.416 -7.458 -7.898 1.00 0.00 N ATOM 159 CA HIS A 14 0.392 -8.416 -7.498 1.00 0.00 C ATOM 160 C HIS A 14 0.922 -9.361 -6.424 1.00 0.00 C ATOM 161 O HIS A 14 2.032 -9.885 -6.536 1.00 0.00 O ATOM 162 CB HIS A 14 -0.088 -9.218 -8.708 1.00 0.00 C ATOM 163 CG HIS A 14 -0.609 -8.365 -9.823 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.209 -7.765 -10.757 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.874 -8.014 -10.153 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.529 -7.080 -11.612 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.798 -7.216 -11.268 1.00 0.00 N ATOM 0 H HIS A 14 1.874 -7.675 -8.783 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.449 -7.859 -7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.736 -9.826 -9.081 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.872 -9.905 -8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.776 -8.307 -9.636 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.159 -6.507 -12.449 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.592 -6.796 -11.752 1.00 0.00 H new ATOM 175 N LEU A 15 0.124 -9.575 -5.384 1.00 0.00 N ATOM 176 CA LEU A 15 0.514 -10.457 -4.289 1.00 0.00 C ATOM 177 C LEU A 15 -0.444 -11.639 -4.175 1.00 0.00 C ATOM 178 O LEU A 15 -1.535 -11.622 -4.743 1.00 0.00 O ATOM 179 CB LEU A 15 0.545 -9.683 -2.971 1.00 0.00 C ATOM 180 CG LEU A 15 1.522 -8.508 -2.905 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.212 -7.623 -1.708 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.957 -9.011 -2.842 1.00 0.00 C ATOM 0 H LEU A 15 -0.797 -9.150 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 15 1.512 -10.840 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.458 -9.307 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.791 -10.380 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 15 1.406 -7.912 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.917 -6.792 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.197 -7.235 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.299 -8.207 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.639 -8.162 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.087 -9.630 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.175 -9.603 -3.731 1.00 0.00 H new ATOM 194 N GLU A 16 -0.027 -12.663 -3.437 1.00 0.00 N ATOM 195 CA GLU A 16 -0.848 -13.853 -3.248 1.00 0.00 C ATOM 196 C GLU A 16 -0.943 -14.219 -1.769 1.00 0.00 C ATOM 197 O GLU A 16 0.029 -14.679 -1.168 1.00 0.00 O ATOM 198 CB GLU A 16 -0.273 -15.028 -4.040 1.00 0.00 C ATOM 199 CG GLU A 16 -0.313 -14.825 -5.546 1.00 0.00 C ATOM 200 CD GLU A 16 0.527 -15.842 -6.294 1.00 0.00 C ATOM 201 OE1 GLU A 16 0.335 -17.054 -6.064 1.00 0.00 O ATOM 202 OE2 GLU A 16 1.375 -15.425 -7.110 1.00 0.00 O ATOM 0 H GLU A 16 0.874 -12.692 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.850 -13.634 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.759 -15.193 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.829 -15.931 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.345 -14.888 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.041 -13.822 -5.783 1.00 0.00 H new ATOM 209 N LYS A 17 -2.120 -14.012 -1.189 1.00 0.00 N ATOM 210 CA LYS A 17 -2.344 -14.321 0.219 1.00 0.00 C ATOM 211 C LYS A 17 -3.331 -15.474 0.373 1.00 0.00 C ATOM 212 O LYS A 17 -3.922 -15.931 -0.605 1.00 0.00 O ATOM 213 CB LYS A 17 -2.867 -13.086 0.956 1.00 0.00 C ATOM 214 CG LYS A 17 -4.373 -12.913 0.859 1.00 0.00 C ATOM 215 CD LYS A 17 -4.873 -11.840 1.813 1.00 0.00 C ATOM 216 CE LYS A 17 -4.678 -10.447 1.236 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.702 -9.400 2.294 1.00 0.00 N ATOM 0 H LYS A 17 -2.934 -13.632 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.391 -14.621 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.584 -13.153 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.381 -12.198 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.645 -12.648 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.864 -13.859 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.930 -12.003 2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.343 -11.919 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.728 -10.404 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.461 -10.243 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.839 -8.467 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.483 -9.591 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.801 -9.410 2.813 1.00 0.00 H new ATOM 231 N ARG A 18 -3.504 -15.938 1.606 1.00 0.00 N ATOM 232 CA ARG A 18 -4.420 -17.037 1.887 1.00 0.00 C ATOM 233 C ARG A 18 -5.714 -16.521 2.508 1.00 0.00 C ATOM 234 O ARG A 18 -5.692 -15.810 3.513 1.00 0.00 O ATOM 235 CB ARG A 18 -3.761 -18.051 2.824 1.00 0.00 C ATOM 236 CG ARG A 18 -2.842 -19.030 2.112 1.00 0.00 C ATOM 237 CD ARG A 18 -2.765 -20.359 2.848 1.00 0.00 C ATOM 238 NE ARG A 18 -1.551 -21.100 2.517 1.00 0.00 N ATOM 239 CZ ARG A 18 -1.336 -22.359 2.881 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.249 -23.014 3.585 1.00 0.00 N ATOM 241 NH2 ARG A 18 -0.206 -22.965 2.541 1.00 0.00 N ATOM 0 H ARG A 18 -3.022 -15.570 2.426 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.660 -17.527 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.190 -17.515 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.538 -18.609 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.202 -19.196 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.844 -18.600 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.799 -20.180 3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.637 -20.963 2.598 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.828 -20.624 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.119 -22.551 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.081 -23.981 3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.498 -22.464 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.042 -23.932 2.821 1.00 0.00 H new ATOM 255 N ARG A 19 -6.840 -16.884 1.903 1.00 0.00 N ATOM 256 CA ARG A 19 -8.144 -16.456 2.395 1.00 0.00 C ATOM 257 C ARG A 19 -8.187 -16.488 3.920 1.00 0.00 C ATOM 258 O ARG A 19 -8.072 -17.549 4.533 1.00 0.00 O ATOM 259 CB ARG A 19 -9.247 -17.350 1.825 1.00 0.00 C ATOM 260 CG ARG A 19 -10.601 -17.142 2.483 1.00 0.00 C ATOM 261 CD ARG A 19 -11.662 -18.045 1.873 1.00 0.00 C ATOM 262 NE ARG A 19 -11.396 -19.457 2.138 1.00 0.00 N ATOM 263 CZ ARG A 19 -10.606 -20.210 1.382 1.00 0.00 C ATOM 264 NH1 ARG A 19 -10.005 -19.689 0.320 1.00 0.00 N ATOM 265 NH2 ARG A 19 -10.414 -21.487 1.687 1.00 0.00 N ATOM 0 H ARG A 19 -6.876 -17.473 1.071 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.310 -15.431 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.340 -17.161 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.953 -18.393 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.522 -17.342 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.903 -16.100 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.640 -17.778 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.704 -17.880 0.796 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.842 -19.888 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.149 -18.708 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.399 -20.270 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.874 -21.891 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.807 -22.065 1.105 1.00 0.00 H new ATOM 279 N GLY A 20 -8.352 -15.316 4.527 1.00 0.00 N ATOM 280 CA GLY A 20 -8.406 -15.232 5.975 1.00 0.00 C ATOM 281 C GLY A 20 -7.030 -15.108 6.600 1.00 0.00 C ATOM 282 O GLY A 20 -6.813 -15.548 7.728 1.00 0.00 O ATOM 0 H GLY A 20 -8.449 -14.424 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.012 -14.373 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.902 -16.119 6.369 1.00 0.00 H new ATOM 286 N GLU A 21 -6.100 -14.508 5.864 1.00 0.00 N ATOM 287 CA GLU A 21 -4.738 -14.330 6.354 1.00 0.00 C ATOM 288 C GLU A 21 -4.337 -12.857 6.324 1.00 0.00 C ATOM 289 O GLU A 21 -4.276 -12.240 5.262 1.00 0.00 O ATOM 290 CB GLU A 21 -3.759 -15.152 5.513 1.00 0.00 C ATOM 291 CG GLU A 21 -2.301 -14.917 5.872 1.00 0.00 C ATOM 292 CD GLU A 21 -1.374 -15.946 5.255 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.192 -15.915 4.020 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.831 -16.782 6.007 1.00 0.00 O ATOM 0 H GLU A 21 -6.264 -14.138 4.928 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.702 -14.678 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.988 -16.211 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.908 -14.913 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.005 -13.922 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.190 -14.938 6.956 1.00 0.00 H new ATOM 301 N GLY A 22 -4.066 -12.300 7.501 1.00 0.00 N ATOM 302 CA GLY A 22 -3.675 -10.905 7.589 1.00 0.00 C ATOM 303 C GLY A 22 -2.667 -10.517 6.526 1.00 0.00 C ATOM 304 O GLY A 22 -1.634 -11.171 6.371 1.00 0.00 O ATOM 0 H GLY A 22 -4.110 -12.790 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.560 -10.276 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.252 -10.711 8.575 1.00 0.00 H new ATOM 308 N LEU A 23 -2.965 -9.453 5.790 1.00 0.00 N ATOM 309 CA LEU A 23 -2.077 -8.979 4.733 1.00 0.00 C ATOM 310 C LEU A 23 -0.634 -8.919 5.223 1.00 0.00 C ATOM 311 O LEU A 23 0.300 -9.188 4.468 1.00 0.00 O ATOM 312 CB LEU A 23 -2.522 -7.599 4.247 1.00 0.00 C ATOM 313 CG LEU A 23 -2.221 -7.274 2.784 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.651 -5.853 2.453 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.741 -7.468 2.488 1.00 0.00 C ATOM 0 H LEU A 23 -3.815 -8.901 5.905 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.130 -9.683 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.597 -7.510 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.044 -6.844 4.872 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.790 -7.959 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.429 -5.640 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.722 -5.748 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.111 -5.152 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.545 -7.232 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.153 -6.808 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.463 -8.504 2.685 1.00 0.00 H new ATOM 327 N GLY A 24 -0.459 -8.564 6.492 1.00 0.00 N ATOM 328 CA GLY A 24 0.874 -8.476 7.061 1.00 0.00 C ATOM 329 C GLY A 24 1.646 -7.277 6.547 1.00 0.00 C ATOM 330 O GLY A 24 2.723 -7.424 5.970 1.00 0.00 O ATOM 0 H GLY A 24 -1.216 -8.336 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.799 -8.418 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.426 -9.387 6.828 1.00 0.00 H new ATOM 334 N VAL A 25 1.094 -6.086 6.756 1.00 0.00 N ATOM 335 CA VAL A 25 1.737 -4.857 6.309 1.00 0.00 C ATOM 336 C VAL A 25 1.449 -3.706 7.267 1.00 0.00 C ATOM 337 O VAL A 25 0.303 -3.479 7.653 1.00 0.00 O ATOM 338 CB VAL A 25 1.271 -4.461 4.895 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.897 -5.374 3.852 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.247 -4.497 4.805 1.00 0.00 C ATOM 0 H VAL A 25 0.203 -5.947 7.232 1.00 0.00 H new ATOM 0 HA VAL A 25 2.809 -5.051 6.289 1.00 0.00 H new ATOM 0 HB VAL A 25 1.600 -3.441 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.557 -5.080 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.983 -5.293 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.601 -6.405 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.559 -4.215 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.601 -5.504 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.671 -3.798 5.526 1.00 0.00 H new ATOM 350 N ALA A 26 2.498 -2.984 7.648 1.00 0.00 N ATOM 351 CA ALA A 26 2.357 -1.855 8.559 1.00 0.00 C ATOM 352 C ALA A 26 2.585 -0.532 7.834 1.00 0.00 C ATOM 353 O ALA A 26 3.710 -0.205 7.456 1.00 0.00 O ATOM 354 CB ALA A 26 3.326 -1.993 9.724 1.00 0.00 C ATOM 0 H ALA A 26 3.454 -3.161 7.340 1.00 0.00 H new ATOM 0 HA ALA A 26 1.338 -1.857 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.210 -1.143 10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.115 -2.915 10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.348 -2.020 9.346 1.00 0.00 H new ATOM 360 N LEU A 27 1.510 0.224 7.643 1.00 0.00 N ATOM 361 CA LEU A 27 1.592 1.512 6.962 1.00 0.00 C ATOM 362 C LEU A 27 1.466 2.662 7.956 1.00 0.00 C ATOM 363 O LEU A 27 1.167 2.451 9.131 1.00 0.00 O ATOM 364 CB LEU A 27 0.497 1.620 5.899 1.00 0.00 C ATOM 365 CG LEU A 27 0.272 0.376 5.039 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.177 0.296 4.584 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.210 0.379 3.840 1.00 0.00 C ATOM 0 H LEU A 27 0.571 -0.032 7.950 1.00 0.00 H new ATOM 0 HA LEU A 27 2.567 1.578 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.441 1.868 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.739 2.454 5.240 1.00 0.00 H new ATOM 0 HG LEU A 27 0.491 -0.504 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.318 -0.596 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.830 0.246 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.423 1.181 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.036 -0.514 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.024 1.266 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.243 0.387 4.187 1.00 0.00 H new ATOM 379 N VAL A 28 1.695 3.880 7.475 1.00 0.00 N ATOM 380 CA VAL A 28 1.605 5.065 8.320 1.00 0.00 C ATOM 381 C VAL A 28 1.307 6.310 7.491 1.00 0.00 C ATOM 382 O VAL A 28 1.090 6.225 6.283 1.00 0.00 O ATOM 383 CB VAL A 28 2.906 5.289 9.113 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.131 4.155 10.102 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.089 5.426 8.167 1.00 0.00 C ATOM 0 H VAL A 28 1.944 4.072 6.505 1.00 0.00 H new ATOM 0 HA VAL A 28 0.787 4.893 9.020 1.00 0.00 H new ATOM 0 HB VAL A 28 2.812 6.217 9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.055 4.331 10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.295 4.110 10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.204 3.211 9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.000 5.584 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.188 4.517 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.928 6.276 7.504 1.00 0.00 H new ATOM 395 N GLU A 29 1.299 7.464 8.150 1.00 0.00 N ATOM 396 CA GLU A 29 1.027 8.727 7.473 1.00 0.00 C ATOM 397 C GLU A 29 2.259 9.628 7.488 1.00 0.00 C ATOM 398 O GLU A 29 2.676 10.110 8.541 1.00 0.00 O ATOM 399 CB GLU A 29 -0.151 9.444 8.137 1.00 0.00 C ATOM 400 CG GLU A 29 -1.499 9.081 7.538 1.00 0.00 C ATOM 401 CD GLU A 29 -2.584 10.078 7.897 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.646 11.146 7.252 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.371 9.790 8.823 1.00 0.00 O ATOM 0 H GLU A 29 1.477 7.551 9.151 1.00 0.00 H new ATOM 0 HA GLU A 29 0.771 8.507 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.159 9.204 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.004 10.521 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.407 9.024 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.792 8.090 7.885 1.00 0.00 H new ATOM 522 N THR A 38 0.300 10.667 2.907 1.00 0.00 N ATOM 523 CA THR A 38 0.605 9.513 2.070 1.00 0.00 C ATOM 524 C THR A 38 0.762 8.251 2.911 1.00 0.00 C ATOM 525 O THR A 38 0.992 8.322 4.117 1.00 0.00 O ATOM 526 CB THR A 38 1.892 9.736 1.254 1.00 0.00 C ATOM 527 OG1 THR A 38 3.032 9.710 2.120 1.00 0.00 O ATOM 528 CG2 THR A 38 1.840 11.065 0.515 1.00 0.00 C ATOM 0 HA THR A 38 -0.234 9.388 1.385 1.00 0.00 H new ATOM 0 HB THR A 38 1.975 8.934 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.846 9.851 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.759 11.201 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.988 11.070 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.735 11.877 1.234 1.00 0.00 H new ATOM 536 N ALA A 39 0.637 7.096 2.265 1.00 0.00 N ATOM 537 CA ALA A 39 0.768 5.818 2.952 1.00 0.00 C ATOM 538 C ALA A 39 2.154 5.218 2.737 1.00 0.00 C ATOM 539 O ALA A 39 2.471 4.738 1.649 1.00 0.00 O ATOM 540 CB ALA A 39 -0.307 4.851 2.479 1.00 0.00 C ATOM 0 H ALA A 39 0.445 7.020 1.266 1.00 0.00 H new ATOM 0 HA ALA A 39 0.638 5.993 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.197 3.900 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.291 5.269 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.205 4.690 1.406 1.00 0.00 H new ATOM 546 N VAL A 40 2.976 5.249 3.781 1.00 0.00 N ATOM 547 CA VAL A 40 4.328 4.708 3.706 1.00 0.00 C ATOM 548 C VAL A 40 4.478 3.481 4.598 1.00 0.00 C ATOM 549 O VAL A 40 4.255 3.548 5.807 1.00 0.00 O ATOM 550 CB VAL A 40 5.376 5.759 4.117 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.783 5.226 3.892 1.00 0.00 C ATOM 552 CG2 VAL A 40 5.160 7.055 3.350 1.00 0.00 C ATOM 0 H VAL A 40 2.729 5.643 4.689 1.00 0.00 H new ATOM 0 HA VAL A 40 4.498 4.422 2.668 1.00 0.00 H new ATOM 0 HB VAL A 40 5.258 5.968 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.510 5.982 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.931 4.327 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.917 4.987 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.909 7.786 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.251 6.864 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.165 7.444 3.566 1.00 0.00 H new ATOM 562 N ILE A 41 4.860 2.361 3.993 1.00 0.00 N ATOM 563 CA ILE A 41 5.042 1.118 4.733 1.00 0.00 C ATOM 564 C ILE A 41 6.001 1.310 5.903 1.00 0.00 C ATOM 565 O ILE A 41 7.219 1.299 5.728 1.00 0.00 O ATOM 566 CB ILE A 41 5.577 -0.004 3.824 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.573 -0.312 2.711 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.870 -1.254 4.642 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.149 -1.152 1.593 1.00 0.00 C ATOM 0 H ILE A 41 5.049 2.289 2.993 1.00 0.00 H new ATOM 0 HA ILE A 41 4.062 0.830 5.114 1.00 0.00 H new ATOM 0 HB ILE A 41 6.507 0.333 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.716 -0.831 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.203 0.626 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.247 -2.038 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.618 -1.025 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.955 -1.595 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.382 -1.331 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.988 -0.626 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.493 -2.105 1.994 1.00 0.00 H new ATOM 581 N ALA A 42 5.442 1.485 7.096 1.00 0.00 N ATOM 582 CA ALA A 42 6.247 1.675 8.296 1.00 0.00 C ATOM 583 C ALA A 42 7.063 0.427 8.614 1.00 0.00 C ATOM 584 O ALA A 42 8.242 0.514 8.953 1.00 0.00 O ATOM 585 CB ALA A 42 5.358 2.042 9.475 1.00 0.00 C ATOM 0 H ALA A 42 4.435 1.499 7.257 1.00 0.00 H new ATOM 0 HA ALA A 42 6.943 2.494 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.972 2.181 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.824 2.967 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.639 1.242 9.652 1.00 0.00 H new ATOM 591 N ASN A 43 6.426 -0.735 8.503 1.00 0.00 N ATOM 592 CA ASN A 43 7.092 -2.002 8.780 1.00 0.00 C ATOM 593 C ASN A 43 6.374 -3.157 8.090 1.00 0.00 C ATOM 594 O ASN A 43 5.192 -3.059 7.759 1.00 0.00 O ATOM 595 CB ASN A 43 7.151 -2.252 10.289 1.00 0.00 C ATOM 596 CG ASN A 43 8.330 -1.558 10.944 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.156 -0.705 11.815 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.537 -1.923 10.528 1.00 0.00 N ATOM 0 H ASN A 43 5.449 -0.825 8.223 1.00 0.00 H new ATOM 0 HA ASN A 43 8.107 -1.943 8.388 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.226 -1.903 10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.215 -3.324 10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.368 -1.492 10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.633 -2.634 9.803 1.00 0.00 H new ATOM 605 N LEU A 44 7.096 -4.251 7.875 1.00 0.00 N ATOM 606 CA LEU A 44 6.528 -5.427 7.224 1.00 0.00 C ATOM 607 C LEU A 44 6.899 -6.699 7.979 1.00 0.00 C ATOM 608 O LEU A 44 7.910 -6.746 8.681 1.00 0.00 O ATOM 609 CB LEU A 44 7.016 -5.518 5.777 1.00 0.00 C ATOM 610 CG LEU A 44 6.476 -4.457 4.818 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.870 -4.781 3.386 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.964 -4.343 4.945 1.00 0.00 C ATOM 0 H LEU A 44 8.076 -4.349 8.142 1.00 0.00 H new ATOM 0 HA LEU A 44 5.443 -5.327 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.104 -5.458 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.751 -6.500 5.386 1.00 0.00 H new ATOM 0 HG LEU A 44 6.916 -3.496 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.477 -4.015 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.957 -4.810 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.460 -5.751 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.597 -3.583 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.505 -5.302 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.705 -4.062 5.966 1.00 0.00 H new ATOM 624 N LEU A 45 6.075 -7.731 7.829 1.00 0.00 N ATOM 625 CA LEU A 45 6.317 -9.006 8.495 1.00 0.00 C ATOM 626 C LEU A 45 7.057 -9.970 7.573 1.00 0.00 C ATOM 627 O LEU A 45 6.491 -10.478 6.604 1.00 0.00 O ATOM 628 CB LEU A 45 4.994 -9.628 8.945 1.00 0.00 C ATOM 629 CG LEU A 45 5.074 -10.589 10.132 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.775 -10.570 10.922 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.390 -11.999 9.655 1.00 0.00 C ATOM 0 H LEU A 45 5.234 -7.709 7.252 1.00 0.00 H new ATOM 0 HA LEU A 45 6.940 -8.818 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.305 -8.823 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.560 -10.162 8.099 1.00 0.00 H new ATOM 0 HG LEU A 45 5.879 -10.260 10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.850 -11.260 11.763 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.590 -9.562 11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.952 -10.874 10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.443 -12.670 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.607 -12.338 8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.347 -12.001 9.133 1.00 0.00 H new ATOM 643 N HIS A 46 8.326 -10.220 7.882 1.00 0.00 N ATOM 644 CA HIS A 46 9.143 -11.126 7.082 1.00 0.00 C ATOM 645 C HIS A 46 8.464 -12.484 6.935 1.00 0.00 C ATOM 646 O HIS A 46 8.629 -13.366 7.777 1.00 0.00 O ATOM 647 CB HIS A 46 10.523 -11.298 7.719 1.00 0.00 C ATOM 648 CG HIS A 46 11.520 -10.274 7.274 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.163 -9.022 6.821 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.872 -10.322 7.216 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.251 -8.344 6.501 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.302 -9.110 6.732 1.00 0.00 N ATOM 0 H HIS A 46 8.810 -9.808 8.680 1.00 0.00 H new ATOM 0 HA HIS A 46 9.261 -10.690 6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.422 -11.248 8.803 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.903 -12.291 7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.496 -11.157 7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.277 -7.335 6.116 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.275 -8.845 6.576 1.00 0.00 H new ATOM 660 N GLY A 47 7.699 -12.644 5.860 1.00 0.00 N ATOM 661 CA GLY A 47 7.006 -13.897 5.623 1.00 0.00 C ATOM 662 C GLY A 47 5.597 -13.691 5.103 1.00 0.00 C ATOM 663 O GLY A 47 5.008 -14.594 4.511 1.00 0.00 O ATOM 0 H GLY A 47 7.547 -11.929 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.572 -14.491 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.968 -14.469 6.550 1.00 0.00 H new ATOM 667 N GLY A 48 5.053 -12.498 5.327 1.00 0.00 N ATOM 668 CA GLY A 48 3.708 -12.198 4.872 1.00 0.00 C ATOM 669 C GLY A 48 3.556 -12.352 3.372 1.00 0.00 C ATOM 670 O GLY A 48 4.529 -12.549 2.645 1.00 0.00 O ATOM 0 H GLY A 48 5.520 -11.734 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.002 -12.858 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.450 -11.178 5.157 1.00 0.00 H new ATOM 674 N PRO A 49 2.308 -12.263 2.888 1.00 0.00 N ATOM 675 CA PRO A 49 2.002 -12.391 1.460 1.00 0.00 C ATOM 676 C PRO A 49 2.506 -11.202 0.650 1.00 0.00 C ATOM 677 O PRO A 49 2.802 -11.329 -0.538 1.00 0.00 O ATOM 678 CB PRO A 49 0.472 -12.450 1.430 1.00 0.00 C ATOM 679 CG PRO A 49 0.041 -11.744 2.668 1.00 0.00 C ATOM 680 CD PRO A 49 1.100 -12.029 3.697 1.00 0.00 C ATOM 0 HA PRO A 49 2.485 -13.261 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.075 -11.964 0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.116 -13.480 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.055 -10.672 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.933 -12.101 3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.231 -11.191 4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.848 -12.899 4.303 1.00 0.00 H new ATOM 688 N ALA A 50 2.602 -10.047 1.300 1.00 0.00 N ATOM 689 CA ALA A 50 3.073 -8.836 0.639 1.00 0.00 C ATOM 690 C ALA A 50 4.591 -8.723 0.717 1.00 0.00 C ATOM 691 O ALA A 50 5.228 -8.170 -0.179 1.00 0.00 O ATOM 692 CB ALA A 50 2.418 -7.609 1.257 1.00 0.00 C ATOM 0 H ALA A 50 2.360 -9.924 2.283 1.00 0.00 H new ATOM 0 HA ALA A 50 2.793 -8.893 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.779 -6.712 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.336 -7.678 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.670 -7.557 2.316 1.00 0.00 H new ATOM 698 N GLU A 51 5.165 -9.250 1.795 1.00 0.00 N ATOM 699 CA GLU A 51 6.609 -9.207 1.989 1.00 0.00 C ATOM 700 C GLU A 51 7.290 -10.371 1.275 1.00 0.00 C ATOM 701 O GLU A 51 8.367 -10.216 0.700 1.00 0.00 O ATOM 702 CB GLU A 51 6.947 -9.241 3.481 1.00 0.00 C ATOM 703 CG GLU A 51 8.429 -9.081 3.773 1.00 0.00 C ATOM 704 CD GLU A 51 8.932 -7.678 3.489 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.038 -7.317 2.298 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.218 -6.943 4.456 1.00 0.00 O ATOM 0 H GLU A 51 4.652 -9.711 2.546 1.00 0.00 H new ATOM 0 HA GLU A 51 6.979 -8.275 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.398 -8.447 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.602 -10.186 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.618 -9.326 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.993 -9.794 3.171 1.00 0.00 H new ATOM 713 N ARG A 52 6.653 -11.537 1.317 1.00 0.00 N ATOM 714 CA ARG A 52 7.197 -12.728 0.677 1.00 0.00 C ATOM 715 C ARG A 52 7.762 -12.395 -0.701 1.00 0.00 C ATOM 716 O ARG A 52 8.691 -13.048 -1.176 1.00 0.00 O ATOM 717 CB ARG A 52 6.116 -13.803 0.550 1.00 0.00 C ATOM 718 CG ARG A 52 4.928 -13.375 -0.297 1.00 0.00 C ATOM 719 CD ARG A 52 4.129 -14.575 -0.782 1.00 0.00 C ATOM 720 NE ARG A 52 3.436 -14.299 -2.038 1.00 0.00 N ATOM 721 CZ ARG A 52 4.026 -14.341 -3.227 1.00 0.00 C ATOM 722 NH1 ARG A 52 5.312 -14.647 -3.322 1.00 0.00 N ATOM 723 NH2 ARG A 52 3.328 -14.078 -4.325 1.00 0.00 N ATOM 0 H ARG A 52 5.760 -11.682 1.788 1.00 0.00 H new ATOM 0 HA ARG A 52 8.006 -13.107 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.557 -14.700 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.764 -14.071 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.282 -12.718 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.279 -12.800 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.797 -15.426 -0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.402 -14.858 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 52 2.445 -14.061 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.851 -14.851 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.763 -14.679 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.338 -13.843 -4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.782 -14.110 -5.238 1.00 0.00 H new ATOM 737 N SER A 53 7.194 -11.375 -1.337 1.00 0.00 N ATOM 738 CA SER A 53 7.639 -10.957 -2.662 1.00 0.00 C ATOM 739 C SER A 53 9.115 -10.574 -2.644 1.00 0.00 C ATOM 740 O SER A 53 9.884 -10.980 -3.514 1.00 0.00 O ATOM 741 CB SER A 53 6.800 -9.777 -3.156 1.00 0.00 C ATOM 742 OG SER A 53 7.037 -8.620 -2.373 1.00 0.00 O ATOM 0 H SER A 53 6.425 -10.823 -0.957 1.00 0.00 H new ATOM 0 HA SER A 53 7.508 -11.797 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.038 -9.569 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.742 -10.037 -3.116 1.00 0.00 H new ATOM 0 HG SER A 53 6.357 -8.556 -1.670 1.00 0.00 H new ATOM 748 N GLY A 54 9.504 -9.788 -1.644 1.00 0.00 N ATOM 749 CA GLY A 54 10.887 -9.362 -1.530 1.00 0.00 C ATOM 750 C GLY A 54 11.131 -8.009 -2.168 1.00 0.00 C ATOM 751 O GLY A 54 12.045 -7.285 -1.773 1.00 0.00 O ATOM 0 H GLY A 54 8.886 -9.439 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.165 -9.319 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.532 -10.104 -2.000 1.00 0.00 H new ATOM 755 N ALA A 55 10.313 -7.666 -3.157 1.00 0.00 N ATOM 756 CA ALA A 55 10.444 -6.390 -3.850 1.00 0.00 C ATOM 757 C ALA A 55 9.941 -5.241 -2.984 1.00 0.00 C ATOM 758 O ALA A 55 10.512 -4.150 -2.989 1.00 0.00 O ATOM 759 CB ALA A 55 9.690 -6.427 -5.171 1.00 0.00 C ATOM 0 H ALA A 55 9.552 -8.254 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 55 11.502 -6.222 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.796 -5.468 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.098 -7.217 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.634 -6.622 -4.982 1.00 0.00 H new ATOM 765 N LEU A 56 8.868 -5.491 -2.241 1.00 0.00 N ATOM 766 CA LEU A 56 8.287 -4.476 -1.369 1.00 0.00 C ATOM 767 C LEU A 56 8.948 -4.496 0.005 1.00 0.00 C ATOM 768 O LEU A 56 9.101 -5.553 0.617 1.00 0.00 O ATOM 769 CB LEU A 56 6.781 -4.700 -1.226 1.00 0.00 C ATOM 770 CG LEU A 56 6.014 -4.953 -2.525 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.807 -5.842 -2.268 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.583 -3.636 -3.155 1.00 0.00 C ATOM 0 H LEU A 56 8.383 -6.388 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 56 8.462 -3.500 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.622 -5.550 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.349 -3.827 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 56 6.677 -5.467 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.274 -6.011 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.139 -6.798 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.142 -5.356 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.039 -3.835 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.938 -3.095 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.464 -3.033 -3.376 1.00 0.00 H new ATOM 784 N SER A 57 9.337 -3.319 0.486 1.00 0.00 N ATOM 785 CA SER A 57 9.983 -3.201 1.788 1.00 0.00 C ATOM 786 C SER A 57 9.755 -1.815 2.384 1.00 0.00 C ATOM 787 O SER A 57 9.492 -0.853 1.662 1.00 0.00 O ATOM 788 CB SER A 57 11.483 -3.475 1.663 1.00 0.00 C ATOM 789 OG SER A 57 12.052 -2.723 0.605 1.00 0.00 O ATOM 0 H SER A 57 9.216 -2.434 -0.006 1.00 0.00 H new ATOM 0 HA SER A 57 9.540 -3.941 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.981 -3.225 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.648 -4.538 1.488 1.00 0.00 H new ATOM 0 HG SER A 57 13.011 -2.914 0.547 1.00 0.00 H new ATOM 795 N ILE A 58 9.857 -1.722 3.705 1.00 0.00 N ATOM 796 CA ILE A 58 9.663 -0.455 4.399 1.00 0.00 C ATOM 797 C ILE A 58 10.188 0.712 3.569 1.00 0.00 C ATOM 798 O ILE A 58 11.379 0.789 3.270 1.00 0.00 O ATOM 799 CB ILE A 58 10.364 -0.450 5.770 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.732 -1.494 6.694 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.292 0.934 6.398 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.382 -2.857 6.599 1.00 0.00 C ATOM 0 H ILE A 58 10.073 -2.509 4.317 1.00 0.00 H new ATOM 0 HA ILE A 58 8.590 -0.339 4.549 1.00 0.00 H new ATOM 0 HB ILE A 58 11.413 -0.707 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.794 -1.142 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.673 -1.588 6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.792 0.921 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.784 1.656 5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.248 1.219 6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.884 -3.546 7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.296 -3.231 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.435 -2.778 6.869 1.00 0.00 H new ATOM 814 N GLY A 59 9.289 1.620 3.200 1.00 0.00 N ATOM 815 CA GLY A 59 9.681 2.772 2.409 1.00 0.00 C ATOM 816 C GLY A 59 8.692 3.078 1.302 1.00 0.00 C ATOM 817 O GLY A 59 8.175 4.192 1.212 1.00 0.00 O ATOM 0 H GLY A 59 8.297 1.578 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.774 3.641 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.664 2.593 1.974 1.00 0.00 H new ATOM 821 N ASP A 60 8.429 2.088 0.455 1.00 0.00 N ATOM 822 CA ASP A 60 7.497 2.257 -0.653 1.00 0.00 C ATOM 823 C ASP A 60 6.254 3.021 -0.206 1.00 0.00 C ATOM 824 O ASP A 60 5.825 2.910 0.942 1.00 0.00 O ATOM 825 CB ASP A 60 7.095 0.895 -1.222 1.00 0.00 C ATOM 826 CG ASP A 60 8.237 -0.102 -1.196 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.385 0.303 -1.475 1.00 0.00 O ATOM 828 OD2 ASP A 60 7.983 -1.288 -0.897 1.00 0.00 O ATOM 0 H ASP A 60 8.849 1.160 0.515 1.00 0.00 H new ATOM 0 HA ASP A 60 7.997 2.834 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.257 0.498 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.749 1.021 -2.248 1.00 0.00 H new ATOM 833 N ARG A 61 5.683 3.798 -1.120 1.00 0.00 N ATOM 834 CA ARG A 61 4.491 4.583 -0.819 1.00 0.00 C ATOM 835 C ARG A 61 3.301 4.102 -1.644 1.00 0.00 C ATOM 836 O ARG A 61 3.261 4.285 -2.862 1.00 0.00 O ATOM 837 CB ARG A 61 4.749 6.066 -1.092 1.00 0.00 C ATOM 838 CG ARG A 61 3.524 6.943 -0.893 1.00 0.00 C ATOM 839 CD ARG A 61 2.613 6.914 -2.110 1.00 0.00 C ATOM 840 NE ARG A 61 1.881 8.166 -2.277 1.00 0.00 N ATOM 841 CZ ARG A 61 0.737 8.436 -1.659 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.197 7.546 -0.837 1.00 0.00 N ATOM 843 NH2 ARG A 61 0.130 9.598 -1.861 1.00 0.00 N ATOM 0 H ARG A 61 6.026 3.901 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 61 4.256 4.451 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.546 6.415 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.106 6.182 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.972 6.605 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.838 7.968 -0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.207 6.720 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.905 6.091 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 61 2.269 8.872 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.661 6.651 -0.678 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.682 7.756 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.542 10.286 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.749 9.804 -1.386 1.00 0.00 H new ATOM 857 N LEU A 62 2.333 3.486 -0.974 1.00 0.00 N ATOM 858 CA LEU A 62 1.141 2.979 -1.644 1.00 0.00 C ATOM 859 C LEU A 62 0.174 4.112 -1.968 1.00 0.00 C ATOM 860 O LEU A 62 -0.032 5.018 -1.160 1.00 0.00 O ATOM 861 CB LEU A 62 0.446 1.934 -0.770 1.00 0.00 C ATOM 862 CG LEU A 62 -0.955 1.512 -1.213 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.238 0.077 -0.797 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.003 2.453 -0.636 1.00 0.00 C ATOM 0 H LEU A 62 2.351 3.326 0.033 1.00 0.00 H new ATOM 0 HA LEU A 62 1.451 2.513 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.076 1.045 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.382 2.324 0.246 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.003 1.569 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.240 -0.205 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.507 -0.587 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.170 -0.007 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.994 2.137 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.954 2.429 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.812 3.468 -0.985 1.00 0.00 H new ATOM 876 N THR A 63 -0.420 4.055 -3.156 1.00 0.00 N ATOM 877 CA THR A 63 -1.367 5.076 -3.587 1.00 0.00 C ATOM 878 C THR A 63 -2.781 4.513 -3.673 1.00 0.00 C ATOM 879 O THR A 63 -3.751 5.193 -3.340 1.00 0.00 O ATOM 880 CB THR A 63 -0.976 5.663 -4.956 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.339 4.753 -6.001 1.00 0.00 O ATOM 882 CG2 THR A 63 0.518 5.944 -5.018 1.00 0.00 C ATOM 0 H THR A 63 -0.262 3.312 -3.837 1.00 0.00 H new ATOM 0 HA THR A 63 -1.339 5.869 -2.839 1.00 0.00 H new ATOM 0 HB THR A 63 -1.512 6.603 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.900 3.890 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.770 6.358 -5.994 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.786 6.659 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.069 5.016 -4.864 1.00 0.00 H new ATOM 890 N ALA A 64 -2.890 3.267 -4.121 1.00 0.00 N ATOM 891 CA ALA A 64 -4.186 2.612 -4.249 1.00 0.00 C ATOM 892 C ALA A 64 -4.078 1.119 -3.958 1.00 0.00 C ATOM 893 O ALA A 64 -2.981 0.560 -3.933 1.00 0.00 O ATOM 894 CB ALA A 64 -4.759 2.840 -5.640 1.00 0.00 C ATOM 0 H ALA A 64 -2.097 2.691 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.861 3.051 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.727 2.345 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.883 3.909 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.078 2.429 -6.386 1.00 0.00 H new ATOM 900 N ILE A 65 -5.221 0.479 -3.737 1.00 0.00 N ATOM 901 CA ILE A 65 -5.254 -0.949 -3.448 1.00 0.00 C ATOM 902 C ILE A 65 -6.271 -1.666 -4.329 1.00 0.00 C ATOM 903 O ILE A 65 -7.473 -1.618 -4.071 1.00 0.00 O ATOM 904 CB ILE A 65 -5.593 -1.217 -1.970 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.424 -0.804 -1.073 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.933 -2.685 -1.762 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.715 -0.948 0.404 1.00 0.00 C ATOM 0 H ILE A 65 -6.137 0.927 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.257 -1.336 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.464 -0.620 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.553 -1.409 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.163 0.233 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.170 -2.858 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.793 -2.950 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.080 -3.300 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.842 -0.637 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.566 -0.321 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.946 -1.989 0.629 1.00 0.00 H new ATOM 919 N ASN A 66 -5.781 -2.330 -5.370 1.00 0.00 N ATOM 920 CA ASN A 66 -6.647 -3.058 -6.290 1.00 0.00 C ATOM 921 C ASN A 66 -7.731 -2.145 -6.854 1.00 0.00 C ATOM 922 O ASN A 66 -8.864 -2.572 -7.077 1.00 0.00 O ATOM 923 CB ASN A 66 -7.289 -4.253 -5.581 1.00 0.00 C ATOM 924 CG ASN A 66 -6.266 -5.283 -5.143 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.115 -6.330 -5.773 1.00 0.00 O ATOM 926 ND2 ASN A 66 -5.558 -4.990 -4.059 1.00 0.00 N ATOM 0 H ASN A 66 -4.788 -2.379 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.035 -3.420 -7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.842 -3.901 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.011 -4.723 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.855 -5.645 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.717 -4.110 -3.568 1.00 0.00 H new ATOM 933 N GLY A 67 -7.375 -0.885 -7.084 1.00 0.00 N ATOM 934 CA GLY A 67 -8.328 0.069 -7.620 1.00 0.00 C ATOM 935 C GLY A 67 -8.759 1.098 -6.594 1.00 0.00 C ATOM 936 O GLY A 67 -9.132 2.218 -6.945 1.00 0.00 O ATOM 0 H GLY A 67 -6.444 -0.508 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.885 0.578 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.205 -0.465 -7.985 1.00 0.00 H new ATOM 940 N THR A 68 -8.710 0.719 -5.321 1.00 0.00 N ATOM 941 CA THR A 68 -9.101 1.615 -4.241 1.00 0.00 C ATOM 942 C THR A 68 -8.058 2.707 -4.028 1.00 0.00 C ATOM 943 O THR A 68 -7.054 2.496 -3.349 1.00 0.00 O ATOM 944 CB THR A 68 -9.302 0.849 -2.920 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.341 -0.124 -3.071 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.654 1.803 -1.789 1.00 0.00 C ATOM 0 H THR A 68 -8.403 -0.204 -5.013 1.00 0.00 H new ATOM 0 HA THR A 68 -10.046 2.071 -4.535 1.00 0.00 H new ATOM 0 HB THR A 68 -8.367 0.346 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.461 -0.608 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.791 1.239 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.847 2.524 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.576 2.331 -2.032 1.00 0.00 H new ATOM 954 N SER A 69 -8.304 3.876 -4.612 1.00 0.00 N ATOM 955 CA SER A 69 -7.385 5.001 -4.489 1.00 0.00 C ATOM 956 C SER A 69 -7.386 5.550 -3.065 1.00 0.00 C ATOM 957 O SER A 69 -8.296 6.280 -2.669 1.00 0.00 O ATOM 958 CB SER A 69 -7.764 6.107 -5.475 1.00 0.00 C ATOM 959 OG SER A 69 -8.020 5.576 -6.763 1.00 0.00 O ATOM 0 H SER A 69 -9.132 4.068 -5.175 1.00 0.00 H new ATOM 0 HA SER A 69 -6.381 4.646 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.647 6.634 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.958 6.838 -5.533 1.00 0.00 H new ATOM 0 HG SER A 69 -8.262 6.303 -7.374 1.00 0.00 H new ATOM 965 N LEU A 70 -6.360 5.193 -2.300 1.00 0.00 N ATOM 966 CA LEU A 70 -6.241 5.650 -0.919 1.00 0.00 C ATOM 967 C LEU A 70 -5.632 7.047 -0.858 1.00 0.00 C ATOM 968 O LEU A 70 -5.988 7.853 0.001 1.00 0.00 O ATOM 969 CB LEU A 70 -5.387 4.672 -0.110 1.00 0.00 C ATOM 970 CG LEU A 70 -5.931 3.248 0.013 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.952 2.367 0.774 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.290 3.254 0.698 1.00 0.00 C ATOM 0 H LEU A 70 -5.599 4.589 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.241 5.692 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.397 4.623 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.258 5.078 0.893 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.054 2.838 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.356 1.357 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.001 2.337 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.797 2.774 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.662 2.233 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.193 3.683 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.990 3.851 0.113 1.00 0.00 H new ATOM 984 N VAL A 71 -4.713 7.327 -1.777 1.00 0.00 N ATOM 985 CA VAL A 71 -4.057 8.627 -1.830 1.00 0.00 C ATOM 986 C VAL A 71 -5.033 9.750 -1.496 1.00 0.00 C ATOM 987 O VAL A 71 -5.989 9.993 -2.231 1.00 0.00 O ATOM 988 CB VAL A 71 -3.444 8.890 -3.218 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.488 8.701 -4.308 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.844 10.287 -3.279 1.00 0.00 C ATOM 0 H VAL A 71 -4.406 6.670 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.260 8.610 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.645 8.168 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.036 8.891 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.866 7.679 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.311 9.397 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.415 10.456 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.623 11.026 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.064 10.381 -2.524 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.784 10.432 -0.382 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.650 11.521 0.030 1.00 0.00 C ATOM 1002 C GLY A 72 -6.708 11.078 1.021 1.00 0.00 C ATOM 1003 O GLY A 72 -7.840 11.562 0.989 1.00 0.00 O ATOM 0 H GLY A 72 -3.998 10.250 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.047 12.312 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.135 11.947 -0.848 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.341 10.155 1.903 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.267 9.645 2.907 1.00 0.00 C ATOM 1009 C LEU A 73 -6.550 9.389 4.229 1.00 0.00 C ATOM 1010 O LEU A 73 -5.340 9.167 4.274 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.927 8.357 2.413 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.967 8.518 1.303 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.356 7.162 0.736 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.194 9.252 1.824 1.00 0.00 C ATOM 0 H LEU A 73 -5.408 9.745 1.943 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.036 10.399 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.146 7.686 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.404 7.868 3.262 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.526 9.111 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.097 7.296 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.473 6.673 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.778 6.544 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.923 9.357 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.636 8.685 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.903 10.240 2.182 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.314 9.417 5.332 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.773 9.187 6.675 1.00 0.00 C ATOM 1028 C PRO A 74 -6.348 7.738 6.888 1.00 0.00 C ATOM 1029 O PRO A 74 -7.013 6.811 6.426 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.945 9.541 7.594 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.160 9.325 6.759 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.763 9.676 5.352 1.00 0.00 C ATOM 0 HA PRO A 74 -5.875 9.777 6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.957 8.908 8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.880 10.573 7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.498 8.291 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.984 9.952 7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.291 9.064 4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.989 10.717 5.119 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.236 7.551 7.590 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.721 6.214 7.866 1.00 0.00 C ATOM 1042 C LEU A 75 -5.863 5.221 8.065 1.00 0.00 C ATOM 1043 O LEU A 75 -5.888 4.158 7.447 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.827 6.235 9.106 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.127 4.921 9.452 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.222 4.481 8.312 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.332 5.063 10.742 1.00 0.00 C ATOM 0 H LEU A 75 -4.674 8.308 7.979 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.131 5.895 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.066 7.003 8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.433 6.537 9.961 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.888 4.155 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.732 3.544 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.817 4.337 7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.467 5.246 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.841 4.118 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.580 5.843 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.005 5.330 11.557 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.806 5.579 8.930 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.952 4.722 9.208 1.00 0.00 C ATOM 1061 C ALA A 76 -8.470 4.067 7.932 1.00 0.00 C ATOM 1062 O ALA A 76 -8.718 2.862 7.898 1.00 0.00 O ATOM 1063 CB ALA A 76 -9.058 5.521 9.880 1.00 0.00 C ATOM 0 H ALA A 76 -6.799 6.456 9.450 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.628 3.932 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.907 4.868 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.689 5.936 10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.372 6.332 9.223 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.631 4.869 6.884 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.118 4.367 5.605 1.00 0.00 C ATOM 1071 C ALA A 77 -8.246 3.224 5.097 1.00 0.00 C ATOM 1072 O ALA A 77 -8.747 2.150 4.762 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.168 5.491 4.581 1.00 0.00 C ATOM 0 H ALA A 77 -8.431 5.869 6.896 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.127 3.982 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.533 5.102 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.838 6.275 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.168 5.903 4.444 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.940 3.461 5.040 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.999 2.451 4.570 1.00 0.00 C ATOM 1081 C CYS A 78 -6.008 1.232 5.486 1.00 0.00 C ATOM 1082 O CYS A 78 -5.955 0.094 5.020 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.588 3.036 4.494 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.468 4.548 3.510 1.00 0.00 S ATOM 0 H CYS A 78 -6.509 4.344 5.314 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.309 2.136 3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.238 3.244 5.505 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.918 2.287 4.073 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.295 5.083 3.678 1.00 0.00 H new ATOM 1090 N GLN A 79 -6.074 1.478 6.790 1.00 0.00 N ATOM 1091 CA GLN A 79 -6.087 0.399 7.771 1.00 0.00 C ATOM 1092 C GLN A 79 -7.342 -0.456 7.623 1.00 0.00 C ATOM 1093 O GLN A 79 -7.319 -1.658 7.882 1.00 0.00 O ATOM 1094 CB GLN A 79 -6.008 0.969 9.188 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.586 1.199 9.673 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.525 2.074 10.910 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.511 2.710 11.283 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.363 2.111 11.552 1.00 0.00 N ATOM 0 H GLN A 79 -6.119 2.414 7.192 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.216 -0.232 7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.552 1.913 9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.511 0.287 9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.120 0.238 9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.005 1.663 8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.572 1.567 11.207 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.262 2.683 12.390 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.435 0.174 7.206 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.699 -0.529 7.022 1.00 0.00 C ATOM 1109 C ALA A 80 -9.672 -1.385 5.761 1.00 0.00 C ATOM 1110 O ALA A 80 -9.996 -2.572 5.798 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.851 0.463 6.965 1.00 0.00 C ATOM 0 H ALA A 80 -8.471 1.170 6.989 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.846 -1.191 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.789 -0.076 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.891 1.028 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.700 1.148 6.131 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.284 -0.775 4.645 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.214 -1.483 3.373 1.00 0.00 C ATOM 1119 C ALA A 81 -8.155 -2.579 3.411 1.00 0.00 C ATOM 1120 O ALA A 81 -8.411 -3.718 3.021 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.926 -0.507 2.241 1.00 0.00 C ATOM 0 H ALA A 81 -9.014 0.207 4.597 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.180 -1.955 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.876 -1.049 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.721 0.237 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.974 -0.009 2.424 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.963 -2.227 3.884 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.864 -3.182 3.974 1.00 0.00 C ATOM 1129 C VAL A 82 -6.264 -4.403 4.794 1.00 0.00 C ATOM 1130 O VAL A 82 -5.738 -5.498 4.592 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.614 -2.540 4.604 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.803 -2.362 6.103 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.380 -3.379 4.310 1.00 0.00 C ATOM 0 H VAL A 82 -6.734 -1.288 4.211 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.629 -3.493 2.956 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.470 -1.555 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.910 -1.907 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.662 -1.717 6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.973 -3.334 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.506 -2.911 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.512 -4.378 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.237 -3.450 3.232 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.196 -4.208 5.720 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.666 -5.294 6.572 1.00 0.00 C ATOM 1145 C ARG A 83 -8.643 -6.193 5.819 1.00 0.00 C ATOM 1146 O ARG A 83 -8.556 -7.418 5.893 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.337 -4.733 7.827 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.352 -4.260 8.885 1.00 0.00 C ATOM 1149 CD ARG A 83 -6.854 -5.416 9.738 1.00 0.00 C ATOM 1150 NE ARG A 83 -5.974 -4.964 10.813 1.00 0.00 N ATOM 1151 CZ ARG A 83 -5.640 -5.717 11.855 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -6.109 -6.952 11.962 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -4.833 -5.234 12.792 1.00 0.00 N ATOM 0 H ARG A 83 -7.641 -3.308 5.900 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.802 -5.891 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.980 -3.900 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.980 -5.500 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.506 -3.771 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.830 -3.516 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.706 -5.945 10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.321 -6.128 9.108 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.595 -4.018 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.728 -7.326 11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.851 -7.528 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.469 -4.284 12.712 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.577 -5.812 13.592 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.571 -5.574 5.096 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.564 -6.318 4.332 1.00 0.00 C ATOM 1169 C GLU A 84 -9.892 -7.312 3.389 1.00 0.00 C ATOM 1170 O GLU A 84 -10.356 -8.441 3.224 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.449 -5.359 3.532 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.446 -4.596 4.387 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.197 -3.537 3.603 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.940 -3.904 2.670 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.041 -2.340 3.924 1.00 0.00 O ATOM 0 H GLU A 84 -9.655 -4.560 5.024 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.185 -6.873 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.815 -4.646 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.991 -5.925 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.160 -5.297 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.921 -4.124 5.217 1.00 0.00 H new ATOM 1182 N THR A 85 -8.795 -6.885 2.771 1.00 0.00 N ATOM 1183 CA THR A 85 -8.059 -7.735 1.844 1.00 0.00 C ATOM 1184 C THR A 85 -7.748 -9.090 2.469 1.00 0.00 C ATOM 1185 O THR A 85 -7.436 -10.052 1.767 1.00 0.00 O ATOM 1186 CB THR A 85 -6.742 -7.072 1.400 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.903 -6.839 2.536 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.011 -5.757 0.684 1.00 0.00 C ATOM 0 H THR A 85 -8.397 -5.954 2.896 1.00 0.00 H new ATOM 0 HA THR A 85 -8.697 -7.879 0.972 1.00 0.00 H new ATOM 0 HB THR A 85 -6.238 -7.747 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.390 -6.307 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.065 -5.308 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.625 -5.942 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.536 -5.078 1.356 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.836 -9.160 3.793 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.566 -10.398 4.514 1.00 0.00 C ATOM 1198 C LYS A 86 -8.346 -11.561 3.909 1.00 0.00 C ATOM 1199 O LYS A 86 -7.992 -12.724 4.101 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.929 -10.241 5.992 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.697 -11.498 6.813 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.394 -11.421 8.161 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.905 -12.510 9.104 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.522 -12.392 10.454 1.00 0.00 N ATOM 0 H LYS A 86 -8.093 -8.373 4.389 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.501 -10.614 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.342 -9.426 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.978 -9.954 6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.062 -12.365 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.627 -11.643 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.216 -10.443 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.471 -11.516 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.138 -13.488 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.820 -12.452 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.164 -13.152 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.278 -11.469 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.556 -12.472 10.372 1.00 0.00 H new ATOM 1218 N SER A 87 -9.408 -11.239 3.177 1.00 0.00 N ATOM 1219 CA SER A 87 -10.239 -12.257 2.546 1.00 0.00 C ATOM 1220 C SER A 87 -9.677 -12.649 1.183 1.00 0.00 C ATOM 1221 O SER A 87 -9.335 -13.808 0.952 1.00 0.00 O ATOM 1222 CB SER A 87 -11.674 -11.750 2.392 1.00 0.00 C ATOM 1223 OG SER A 87 -12.577 -12.826 2.199 1.00 0.00 O ATOM 0 H SER A 87 -9.713 -10.281 3.006 1.00 0.00 H new ATOM 0 HA SER A 87 -10.239 -13.139 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.961 -11.185 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.732 -11.066 1.546 1.00 0.00 H new ATOM 0 HG SER A 87 -13.488 -12.476 2.105 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.586 -11.674 0.285 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.066 -11.916 -1.055 1.00 0.00 C ATOM 1231 C GLN A 88 -7.662 -12.509 -0.996 1.00 0.00 C ATOM 1232 O GLN A 88 -6.821 -12.065 -0.213 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.051 -10.617 -1.862 1.00 0.00 C ATOM 1234 CG GLN A 88 -8.156 -9.542 -1.267 1.00 0.00 C ATOM 1235 CD GLN A 88 -8.430 -8.168 -1.846 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -8.901 -7.269 -1.148 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -8.135 -7.997 -3.130 1.00 0.00 N ATOM 0 H GLN A 88 -9.866 -10.709 0.461 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.723 -12.633 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.719 -10.834 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.068 -10.232 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.299 -9.512 -0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.113 -9.805 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.746 -8.769 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.297 -7.093 -3.575 1.00 0.00 H new ATOM 1246 N THR A 89 -7.413 -13.515 -1.829 1.00 0.00 N ATOM 1247 CA THR A 89 -6.112 -14.169 -1.870 1.00 0.00 C ATOM 1248 C THR A 89 -5.160 -13.441 -2.812 1.00 0.00 C ATOM 1249 O THR A 89 -4.041 -13.895 -3.051 1.00 0.00 O ATOM 1250 CB THR A 89 -6.235 -15.638 -2.317 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.089 -15.731 -3.463 1.00 0.00 O ATOM 1252 CG2 THR A 89 -6.790 -16.501 -1.194 1.00 0.00 C ATOM 0 H THR A 89 -8.096 -13.894 -2.485 1.00 0.00 H new ATOM 0 HA THR A 89 -5.711 -14.138 -0.857 1.00 0.00 H new ATOM 0 HB THR A 89 -5.240 -16.001 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.161 -16.668 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.868 -17.534 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.123 -16.451 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.777 -16.137 -0.910 1.00 0.00 H new ATOM 1260 N SER A 90 -5.611 -12.309 -3.343 1.00 0.00 N ATOM 1261 CA SER A 90 -4.800 -11.520 -4.262 1.00 0.00 C ATOM 1262 C SER A 90 -4.856 -10.038 -3.901 1.00 0.00 C ATOM 1263 O SER A 90 -5.931 -9.483 -3.674 1.00 0.00 O ATOM 1264 CB SER A 90 -5.277 -11.724 -5.702 1.00 0.00 C ATOM 1265 OG SER A 90 -6.656 -11.423 -5.829 1.00 0.00 O ATOM 0 H SER A 90 -6.534 -11.918 -3.152 1.00 0.00 H new ATOM 0 HA SER A 90 -3.767 -11.858 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.699 -11.089 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.097 -12.755 -6.006 1.00 0.00 H new ATOM 0 HG SER A 90 -6.896 -10.715 -5.196 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.689 -9.404 -3.850 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.604 -7.986 -3.518 1.00 0.00 C ATOM 1273 C VAL A 91 -2.518 -7.295 -4.334 1.00 0.00 C ATOM 1274 O VAL A 91 -1.336 -7.626 -4.223 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.316 -7.778 -2.019 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.790 -6.373 -1.767 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.567 -8.044 -1.195 1.00 0.00 C ATOM 0 H VAL A 91 -2.790 -9.849 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.571 -7.545 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.548 -8.488 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.592 -6.244 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.868 -6.224 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.533 -5.643 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.346 -7.893 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.357 -7.359 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.895 -9.071 -1.353 1.00 0.00 H new ATOM 1287 N THR A 92 -2.924 -6.332 -5.154 1.00 0.00 N ATOM 1288 CA THR A 92 -1.986 -5.593 -5.990 1.00 0.00 C ATOM 1289 C THR A 92 -1.696 -4.216 -5.406 1.00 0.00 C ATOM 1290 O THR A 92 -2.589 -3.374 -5.298 1.00 0.00 O ATOM 1291 CB THR A 92 -2.523 -5.427 -7.425 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.004 -6.682 -7.917 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.438 -4.896 -8.350 1.00 0.00 C ATOM 0 H THR A 92 -3.897 -6.045 -5.257 1.00 0.00 H new ATOM 0 HA THR A 92 -1.064 -6.173 -6.020 1.00 0.00 H new ATOM 0 HB THR A 92 -3.343 -4.709 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.617 -6.527 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.840 -4.787 -9.357 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.095 -3.926 -7.989 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.601 -5.594 -8.367 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.442 -3.990 -5.030 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.033 -2.713 -4.456 1.00 0.00 C ATOM 1303 C LEU A 93 0.437 -1.753 -5.544 1.00 0.00 C ATOM 1304 O LEU A 93 1.110 -2.156 -6.494 1.00 0.00 O ATOM 1305 CB LEU A 93 1.083 -2.926 -3.432 1.00 0.00 C ATOM 1306 CG LEU A 93 0.787 -3.928 -2.316 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.871 -3.876 -1.250 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.579 -3.656 -1.703 1.00 0.00 C ATOM 0 H LEU A 93 0.309 -4.675 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.897 -2.274 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.977 -3.256 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.319 -1.964 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 93 0.777 -4.929 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.643 -4.596 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.834 -4.121 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.914 -2.874 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.773 -4.379 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.597 -2.648 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.347 -3.746 -2.471 1.00 0.00 H new ATOM 1320 N SER A 94 0.080 -0.481 -5.399 1.00 0.00 N ATOM 1321 CA SER A 94 0.463 0.537 -6.370 1.00 0.00 C ATOM 1322 C SER A 94 1.361 1.590 -5.728 1.00 0.00 C ATOM 1323 O SER A 94 0.991 2.213 -4.732 1.00 0.00 O ATOM 1324 CB SER A 94 -0.781 1.203 -6.961 1.00 0.00 C ATOM 1325 OG SER A 94 -1.237 2.258 -6.131 1.00 0.00 O ATOM 0 H SER A 94 -0.474 -0.131 -4.618 1.00 0.00 H new ATOM 0 HA SER A 94 1.019 0.049 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.553 1.590 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.572 0.462 -7.081 1.00 0.00 H new ATOM 0 HG SER A 94 -1.939 2.759 -6.595 1.00 0.00 H new ATOM 1331 N ILE A 95 2.543 1.782 -6.304 1.00 0.00 N ATOM 1332 CA ILE A 95 3.494 2.760 -5.790 1.00 0.00 C ATOM 1333 C ILE A 95 4.183 3.507 -6.926 1.00 0.00 C ATOM 1334 O ILE A 95 4.106 3.102 -8.086 1.00 0.00 O ATOM 1335 CB ILE A 95 4.563 2.093 -4.905 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.475 1.203 -5.753 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.905 1.284 -3.797 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.702 1.917 -6.274 1.00 0.00 C ATOM 0 H ILE A 95 2.865 1.273 -7.127 1.00 0.00 H new ATOM 0 HA ILE A 95 2.925 3.468 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 95 5.171 2.872 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.789 0.346 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.906 0.813 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.674 0.819 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.294 1.942 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.275 0.510 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.302 1.225 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.397 2.758 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.293 2.283 -5.435 1.00 0.00 H new ATOM 1350 N VAL A 96 4.859 4.599 -6.584 1.00 0.00 N ATOM 1351 CA VAL A 96 5.566 5.402 -7.575 1.00 0.00 C ATOM 1352 C VAL A 96 7.015 4.951 -7.716 1.00 0.00 C ATOM 1353 O VAL A 96 7.811 5.081 -6.785 1.00 0.00 O ATOM 1354 CB VAL A 96 5.539 6.898 -7.208 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.168 7.731 -8.315 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.114 7.352 -6.932 1.00 0.00 C ATOM 0 H VAL A 96 4.932 4.948 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 96 5.050 5.259 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 96 6.125 7.043 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.140 8.785 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.203 7.421 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.612 7.584 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.113 8.411 -6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.503 7.194 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.703 6.776 -6.103 1.00 0.00 H new