USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.298 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.788 K(o=-0.79,f=-1.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.00055) USER MOD Single : A 72 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.347 F(o=-1.8!,f=0.35) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -1.45! C(o=-1.4!,f=-3.1!) USER MOD Single : A 82 GLN : amide:sc= 0.00327 X(o=0.0033,f=0) USER MOD Single : A 84 SER OG : rot 101:sc= -0.0528 USER MOD Single : A 91 SER OG : rot -112:sc= 1.61 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.84 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc=-6.36e-05 X(o=-6.4e-05,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.474 -0.006 6.741 1.00 0.00 N ATOM 81 CA ALA A 9 -17.433 -1.289 6.050 1.00 0.00 C ATOM 82 C ALA A 9 -16.770 -2.357 6.913 1.00 0.00 C ATOM 83 O ALA A 9 -16.169 -2.051 7.943 1.00 0.00 O ATOM 84 CB ALA A 9 -16.701 -1.151 4.723 1.00 0.00 C ATOM 0 HA ALA A 9 -18.459 -1.601 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.678 -2.117 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.219 -0.426 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.681 -0.812 4.904 1.00 0.00 H new ATOM 90 N ARG A 10 -16.884 -3.611 6.487 1.00 0.00 N ATOM 91 CA ARG A 10 -16.297 -4.724 7.223 1.00 0.00 C ATOM 92 C ARG A 10 -15.263 -5.454 6.371 1.00 0.00 C ATOM 93 O ARG A 10 -15.373 -5.498 5.145 1.00 0.00 O ATOM 94 CB ARG A 10 -17.388 -5.700 7.669 1.00 0.00 C ATOM 95 CG ARG A 10 -18.169 -5.227 8.884 1.00 0.00 C ATOM 96 CD ARG A 10 -17.458 -5.589 10.178 1.00 0.00 C ATOM 97 NE ARG A 10 -18.379 -5.648 11.310 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.753 -4.582 12.010 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.287 -3.381 11.694 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.595 -4.716 13.027 1.00 0.00 N ATOM 0 H ARG A 10 -17.377 -3.881 5.636 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.797 -4.321 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.080 -5.860 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.932 -6.664 7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.305 -4.147 8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.163 -5.675 8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.963 -6.553 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.679 -4.854 10.382 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.756 -6.557 11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.640 -3.274 10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.575 -2.564 12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.956 -5.638 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.881 -3.897 13.563 1.00 0.00 H new ATOM 114 N LEU A 11 -14.260 -6.025 7.028 1.00 0.00 N ATOM 115 CA LEU A 11 -13.205 -6.753 6.332 1.00 0.00 C ATOM 116 C LEU A 11 -13.686 -8.138 5.911 1.00 0.00 C ATOM 117 O LEU A 11 -14.356 -8.833 6.675 1.00 0.00 O ATOM 118 CB LEU A 11 -11.970 -6.879 7.225 1.00 0.00 C ATOM 119 CG LEU A 11 -10.721 -7.465 6.564 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.307 -6.626 5.366 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.582 -7.561 7.569 1.00 0.00 C ATOM 0 H LEU A 11 -14.155 -5.998 8.042 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.941 -6.192 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.723 -5.890 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.228 -7.500 8.083 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.956 -8.470 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.417 -7.058 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.117 -6.608 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.090 -5.609 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.701 -7.980 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.348 -6.567 7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.880 -8.205 8.396 1.00 0.00 H new ATOM 133 N VAL A 12 -13.338 -8.534 4.691 1.00 0.00 N ATOM 134 CA VAL A 12 -13.731 -9.838 4.169 1.00 0.00 C ATOM 135 C VAL A 12 -12.511 -10.662 3.773 1.00 0.00 C ATOM 136 O VAL A 12 -12.455 -11.866 4.022 1.00 0.00 O ATOM 137 CB VAL A 12 -14.659 -9.697 2.948 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.058 -11.066 2.420 1.00 0.00 C ATOM 139 CG2 VAL A 12 -15.889 -8.876 3.306 1.00 0.00 C ATOM 0 H VAL A 12 -12.785 -7.971 4.045 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.268 -10.350 4.968 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.117 -9.174 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.714 -10.946 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.165 -11.616 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.582 -11.618 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.534 -8.786 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.435 -9.370 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.581 -7.883 3.633 1.00 0.00 H new ATOM 149 N ALA A 13 -11.534 -10.005 3.156 1.00 0.00 N ATOM 150 CA ALA A 13 -10.313 -10.676 2.729 1.00 0.00 C ATOM 151 C ALA A 13 -9.079 -9.863 3.104 1.00 0.00 C ATOM 152 O ALA A 13 -8.512 -9.158 2.271 1.00 0.00 O ATOM 153 CB ALA A 13 -10.347 -10.927 1.228 1.00 0.00 C ATOM 0 H ALA A 13 -11.565 -9.008 2.941 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.254 -11.634 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.429 -11.429 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.203 -11.556 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.433 -9.976 0.702 1.00 0.00 H new ATOM 159 N GLY A 14 -8.669 -9.966 4.364 1.00 0.00 N ATOM 160 CA GLY A 14 -7.505 -9.233 4.828 1.00 0.00 C ATOM 161 C GLY A 14 -6.351 -9.297 3.846 1.00 0.00 C ATOM 162 O GLY A 14 -6.371 -10.090 2.904 1.00 0.00 O ATOM 0 H GLY A 14 -9.122 -10.544 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.778 -8.191 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.184 -9.637 5.788 1.00 0.00 H new ATOM 166 N LEU A 15 -5.344 -8.459 4.065 1.00 0.00 N ATOM 167 CA LEU A 15 -4.176 -8.422 3.191 1.00 0.00 C ATOM 168 C LEU A 15 -3.344 -9.691 3.341 1.00 0.00 C ATOM 169 O LEU A 15 -3.444 -10.395 4.345 1.00 0.00 O ATOM 170 CB LEU A 15 -3.318 -7.196 3.506 1.00 0.00 C ATOM 171 CG LEU A 15 -4.005 -5.838 3.352 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.447 -4.840 4.355 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.844 -5.317 1.932 1.00 0.00 C ATOM 0 H LEU A 15 -5.312 -7.796 4.840 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.525 -8.358 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.957 -7.284 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.443 -7.214 2.857 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.069 -5.966 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.948 -3.880 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.616 -5.208 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.377 -4.716 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.339 -4.350 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.784 -5.205 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.293 -6.022 1.233 1.00 0.00 H new ATOM 185 N GLU A 16 -2.521 -9.975 2.335 1.00 0.00 N ATOM 186 CA GLU A 16 -1.670 -11.159 2.357 1.00 0.00 C ATOM 187 C GLU A 16 -0.196 -10.770 2.313 1.00 0.00 C ATOM 188 O GLU A 16 0.242 -10.056 1.411 1.00 0.00 O ATOM 189 CB GLU A 16 -2.003 -12.075 1.177 1.00 0.00 C ATOM 190 CG GLU A 16 -3.474 -12.446 1.090 1.00 0.00 C ATOM 191 CD GLU A 16 -3.761 -13.437 -0.021 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.873 -13.005 -1.188 1.00 0.00 O ATOM 193 OE2 GLU A 16 -3.873 -14.645 0.276 1.00 0.00 O ATOM 0 H GLU A 16 -2.426 -9.402 1.496 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.859 -11.694 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.706 -11.583 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.411 -12.987 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.795 -12.870 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.063 -11.544 0.928 1.00 0.00 H new ATOM 200 N ASP A 17 0.565 -11.244 3.293 1.00 0.00 N ATOM 201 CA ASP A 17 1.990 -10.947 3.368 1.00 0.00 C ATOM 202 C ASP A 17 2.628 -10.991 1.982 1.00 0.00 C ATOM 203 O ASP A 17 2.397 -11.923 1.211 1.00 0.00 O ATOM 204 CB ASP A 17 2.692 -11.939 4.297 1.00 0.00 C ATOM 205 CG ASP A 17 4.185 -11.689 4.389 1.00 0.00 C ATOM 206 OD1 ASP A 17 4.933 -12.253 3.564 1.00 0.00 O ATOM 207 OD2 ASP A 17 4.604 -10.929 5.287 1.00 0.00 O ATOM 0 H ASP A 17 0.218 -11.836 4.047 1.00 0.00 H new ATOM 0 HA ASP A 17 2.105 -9.941 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.253 -11.873 5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.518 -12.954 3.939 1.00 0.00 H new ATOM 212 N VAL A 18 3.429 -9.977 1.672 1.00 0.00 N ATOM 213 CA VAL A 18 4.099 -9.899 0.380 1.00 0.00 C ATOM 214 C VAL A 18 5.588 -9.616 0.549 1.00 0.00 C ATOM 215 O VAL A 18 5.974 -8.632 1.179 1.00 0.00 O ATOM 216 CB VAL A 18 3.478 -8.807 -0.510 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.242 -8.686 -1.820 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.008 -9.101 -0.766 1.00 0.00 C ATOM 0 H VAL A 18 3.630 -9.198 2.299 1.00 0.00 H new ATOM 0 HA VAL A 18 3.969 -10.868 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 18 3.549 -7.853 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.788 -7.909 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.280 -8.425 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.206 -9.637 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.585 -8.319 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.912 -10.064 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.472 -9.131 0.183 1.00 0.00 H new ATOM 228 N GLN A 19 6.418 -10.485 -0.018 1.00 0.00 N ATOM 229 CA GLN A 19 7.865 -10.328 0.070 1.00 0.00 C ATOM 230 C GLN A 19 8.498 -10.321 -1.317 1.00 0.00 C ATOM 231 O GLN A 19 8.207 -11.182 -2.148 1.00 0.00 O ATOM 232 CB GLN A 19 8.470 -11.451 0.914 1.00 0.00 C ATOM 233 CG GLN A 19 8.603 -12.769 0.167 1.00 0.00 C ATOM 234 CD GLN A 19 9.355 -13.817 0.963 1.00 0.00 C ATOM 235 OE1 GLN A 19 10.456 -14.224 0.591 1.00 0.00 O ATOM 236 NE2 GLN A 19 8.763 -14.261 2.066 1.00 0.00 N ATOM 0 H GLN A 19 6.114 -11.305 -0.543 1.00 0.00 H new ATOM 0 HA GLN A 19 8.073 -9.371 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.454 -11.141 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.850 -11.604 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.610 -13.146 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.119 -12.596 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.850 -13.896 2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.221 -14.967 2.642 1.00 0.00 H new ATOM 245 N VAL A 20 9.364 -9.343 -1.562 1.00 0.00 N ATOM 246 CA VAL A 20 10.038 -9.223 -2.849 1.00 0.00 C ATOM 247 C VAL A 20 11.430 -8.623 -2.687 1.00 0.00 C ATOM 248 O VAL A 20 11.687 -7.869 -1.747 1.00 0.00 O ATOM 249 CB VAL A 20 9.228 -8.355 -3.830 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.853 -8.960 -4.069 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.109 -6.931 -3.306 1.00 0.00 C ATOM 0 H VAL A 20 9.615 -8.622 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 20 10.125 -10.231 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 20 9.756 -8.325 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.295 -8.333 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.963 -9.959 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.313 -9.022 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.534 -6.331 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.604 -6.940 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.104 -6.501 -3.191 1.00 0.00 H new ATOM 261 N TYR A 21 12.326 -8.961 -3.608 1.00 0.00 N ATOM 262 CA TYR A 21 13.693 -8.457 -3.566 1.00 0.00 C ATOM 263 C TYR A 21 13.749 -6.997 -4.005 1.00 0.00 C ATOM 264 O TYR A 21 12.865 -6.516 -4.715 1.00 0.00 O ATOM 265 CB TYR A 21 14.599 -9.305 -4.460 1.00 0.00 C ATOM 266 CG TYR A 21 15.046 -10.598 -3.816 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.123 -11.474 -3.256 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.391 -10.945 -3.766 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.526 -12.656 -2.666 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.803 -12.126 -3.180 1.00 0.00 C ATOM 271 CZ TYR A 21 15.867 -12.978 -2.631 1.00 0.00 C ATOM 272 OH TYR A 21 16.274 -14.154 -2.045 1.00 0.00 O ATOM 0 H TYR A 21 12.130 -9.582 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 21 14.046 -8.522 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.071 -9.533 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.478 -8.721 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.072 -11.226 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.127 -10.280 -4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.796 -13.324 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.852 -12.381 -3.152 1.00 0.00 H new ATOM 0 HH TYR A 21 17.249 -14.229 -2.106 1.00 0.00 H new ATOM 282 N ASP A 22 14.795 -6.298 -3.579 1.00 0.00 N ATOM 283 CA ASP A 22 14.970 -4.893 -3.928 1.00 0.00 C ATOM 284 C ASP A 22 14.788 -4.680 -5.428 1.00 0.00 C ATOM 285 O ASP A 22 15.112 -5.552 -6.233 1.00 0.00 O ATOM 286 CB ASP A 22 16.353 -4.405 -3.495 1.00 0.00 C ATOM 287 CG ASP A 22 16.876 -3.290 -4.378 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.384 -2.149 -4.248 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.779 -3.556 -5.198 1.00 0.00 O ATOM 0 H ASP A 22 15.535 -6.682 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 22 14.210 -4.316 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.305 -4.056 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.053 -5.240 -3.517 1.00 0.00 H new ATOM 294 N GLY A 23 14.267 -3.513 -5.796 1.00 0.00 N ATOM 295 CA GLY A 23 14.050 -3.207 -7.198 1.00 0.00 C ATOM 296 C GLY A 23 12.769 -3.815 -7.733 1.00 0.00 C ATOM 297 O GLY A 23 12.129 -3.249 -8.619 1.00 0.00 O ATOM 0 H GLY A 23 13.992 -2.775 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.018 -2.125 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.894 -3.574 -7.782 1.00 0.00 H new ATOM 301 N GLU A 24 12.394 -4.971 -7.195 1.00 0.00 N ATOM 302 CA GLU A 24 11.182 -5.657 -7.627 1.00 0.00 C ATOM 303 C GLU A 24 9.953 -4.781 -7.404 1.00 0.00 C ATOM 304 O GLU A 24 10.068 -3.620 -7.009 1.00 0.00 O ATOM 305 CB GLU A 24 11.022 -6.980 -6.875 1.00 0.00 C ATOM 306 CG GLU A 24 12.156 -7.961 -7.121 1.00 0.00 C ATOM 307 CD GLU A 24 12.473 -8.129 -8.594 1.00 0.00 C ATOM 308 OE1 GLU A 24 13.110 -7.222 -9.170 1.00 0.00 O ATOM 309 OE2 GLU A 24 12.084 -9.166 -9.171 1.00 0.00 O ATOM 0 H GLU A 24 12.912 -5.452 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 24 11.272 -5.863 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.955 -6.775 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.081 -7.444 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.048 -7.617 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.892 -8.930 -6.697 1.00 0.00 H new ATOM 316 N ASP A 25 8.778 -5.345 -7.660 1.00 0.00 N ATOM 317 CA ASP A 25 7.526 -4.616 -7.488 1.00 0.00 C ATOM 318 C ASP A 25 6.595 -5.355 -6.532 1.00 0.00 C ATOM 319 O ASP A 25 6.110 -6.443 -6.840 1.00 0.00 O ATOM 320 CB ASP A 25 6.837 -4.416 -8.838 1.00 0.00 C ATOM 321 CG ASP A 25 7.827 -4.296 -9.981 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.556 -5.276 -10.240 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.870 -3.222 -10.617 1.00 0.00 O ATOM 0 H ASP A 25 8.666 -6.305 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 25 7.758 -3.641 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.167 -5.254 -9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.221 -3.518 -8.799 1.00 0.00 H new ATOM 328 N ALA A 26 6.350 -4.756 -5.371 1.00 0.00 N ATOM 329 CA ALA A 26 5.476 -5.357 -4.371 1.00 0.00 C ATOM 330 C ALA A 26 4.066 -4.782 -4.457 1.00 0.00 C ATOM 331 O ALA A 26 3.879 -3.565 -4.448 1.00 0.00 O ATOM 332 CB ALA A 26 6.049 -5.148 -2.977 1.00 0.00 C ATOM 0 H ALA A 26 6.744 -3.855 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 26 5.416 -6.427 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.387 -5.602 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.033 -5.612 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.138 -4.080 -2.777 1.00 0.00 H new ATOM 338 N VAL A 27 3.077 -5.665 -4.542 1.00 0.00 N ATOM 339 CA VAL A 27 1.683 -5.246 -4.630 1.00 0.00 C ATOM 340 C VAL A 27 0.803 -6.064 -3.692 1.00 0.00 C ATOM 341 O VAL A 27 0.973 -7.276 -3.563 1.00 0.00 O ATOM 342 CB VAL A 27 1.146 -5.380 -6.067 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.832 -6.530 -6.788 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.363 -5.571 -6.056 1.00 0.00 C ATOM 0 H VAL A 27 3.215 -6.676 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 27 1.649 -4.198 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 27 1.369 -4.460 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.440 -6.609 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.906 -6.346 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.643 -7.460 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.725 -5.664 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.611 -6.475 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.835 -4.711 -5.581 1.00 0.00 H new ATOM 354 N PHE A 28 -0.140 -5.392 -3.038 1.00 0.00 N ATOM 355 CA PHE A 28 -1.048 -6.057 -2.111 1.00 0.00 C ATOM 356 C PHE A 28 -2.479 -6.036 -2.642 1.00 0.00 C ATOM 357 O PHE A 28 -2.770 -5.386 -3.645 1.00 0.00 O ATOM 358 CB PHE A 28 -0.992 -5.383 -0.738 1.00 0.00 C ATOM 359 CG PHE A 28 0.274 -5.667 0.018 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.397 -4.875 -0.161 1.00 0.00 C ATOM 361 CD2 PHE A 28 0.342 -6.727 0.908 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.563 -5.135 0.533 1.00 0.00 C ATOM 363 CE2 PHE A 28 1.506 -6.992 1.605 1.00 0.00 C ATOM 364 CZ PHE A 28 2.618 -6.194 1.418 1.00 0.00 C ATOM 0 H PHE A 28 -0.295 -4.388 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.731 -7.095 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.095 -4.306 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.843 -5.716 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.360 -4.045 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.525 -7.354 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.431 -4.510 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.546 -7.822 2.295 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.528 -6.398 1.962 1.00 0.00 H new ATOM 374 N SER A 29 -3.366 -6.754 -1.961 1.00 0.00 N ATOM 375 CA SER A 29 -4.766 -6.822 -2.365 1.00 0.00 C ATOM 376 C SER A 29 -5.640 -7.312 -1.215 1.00 0.00 C ATOM 377 O SER A 29 -5.208 -8.119 -0.391 1.00 0.00 O ATOM 378 CB SER A 29 -4.925 -7.749 -3.572 1.00 0.00 C ATOM 379 OG SER A 29 -4.629 -9.091 -3.227 1.00 0.00 O ATOM 0 H SER A 29 -3.141 -7.297 -1.127 1.00 0.00 H new ATOM 0 HA SER A 29 -5.088 -5.818 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.944 -7.684 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.264 -7.422 -4.375 1.00 0.00 H new ATOM 0 HG SER A 29 -4.740 -9.663 -4.015 1.00 0.00 H new ATOM 385 N LEU A 30 -6.873 -6.818 -1.166 1.00 0.00 N ATOM 386 CA LEU A 30 -7.810 -7.204 -0.117 1.00 0.00 C ATOM 387 C LEU A 30 -9.251 -7.083 -0.603 1.00 0.00 C ATOM 388 O LEU A 30 -9.506 -6.602 -1.707 1.00 0.00 O ATOM 389 CB LEU A 30 -7.604 -6.335 1.124 1.00 0.00 C ATOM 390 CG LEU A 30 -8.032 -4.872 0.998 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.489 -4.706 1.402 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.137 -3.979 1.844 1.00 0.00 C ATOM 0 H LEU A 30 -7.246 -6.150 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.619 -8.246 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.153 -6.783 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.547 -6.362 1.390 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.929 -4.572 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.776 -3.659 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.118 -5.316 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.618 -5.024 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.457 -2.942 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.208 -4.279 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.105 -4.075 1.508 1.00 0.00 H new ATOM 404 N ASP A 31 -10.189 -7.522 0.229 1.00 0.00 N ATOM 405 CA ASP A 31 -11.605 -7.460 -0.114 1.00 0.00 C ATOM 406 C ASP A 31 -12.435 -7.009 1.084 1.00 0.00 C ATOM 407 O ASP A 31 -12.092 -7.292 2.232 1.00 0.00 O ATOM 408 CB ASP A 31 -12.093 -8.824 -0.604 1.00 0.00 C ATOM 409 CG ASP A 31 -11.223 -9.387 -1.711 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.030 -9.649 -1.452 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.735 -9.564 -2.836 1.00 0.00 O ATOM 0 H ASP A 31 -9.994 -7.925 1.146 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.728 -6.730 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.109 -9.523 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.118 -8.732 -0.963 1.00 0.00 H new ATOM 416 N LEU A 32 -13.528 -6.305 0.808 1.00 0.00 N ATOM 417 CA LEU A 32 -14.407 -5.813 1.863 1.00 0.00 C ATOM 418 C LEU A 32 -15.850 -6.239 1.612 1.00 0.00 C ATOM 419 O LEU A 32 -16.212 -6.612 0.496 1.00 0.00 O ATOM 420 CB LEU A 32 -14.322 -4.288 1.955 1.00 0.00 C ATOM 421 CG LEU A 32 -12.914 -3.693 1.946 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.976 -2.178 1.819 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.157 -4.093 3.204 1.00 0.00 C ATOM 0 H LEU A 32 -13.826 -6.062 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.079 -6.247 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.880 -3.862 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.823 -3.971 2.869 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.379 -4.089 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.965 -1.772 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.479 -1.911 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.529 -1.765 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.157 -3.660 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.690 -3.726 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.081 -5.179 3.253 1.00 0.00 H new ATOM 435 N SER A 33 -16.670 -6.179 2.656 1.00 0.00 N ATOM 436 CA SER A 33 -18.073 -6.561 2.550 1.00 0.00 C ATOM 437 C SER A 33 -18.860 -5.520 1.759 1.00 0.00 C ATOM 438 O SER A 33 -19.839 -5.844 1.085 1.00 0.00 O ATOM 439 CB SER A 33 -18.685 -6.730 3.942 1.00 0.00 C ATOM 440 OG SER A 33 -18.498 -8.049 4.424 1.00 0.00 O ATOM 0 H SER A 33 -16.387 -5.869 3.586 1.00 0.00 H new ATOM 0 HA SER A 33 -18.126 -7.512 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.230 -6.019 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.750 -6.500 3.905 1.00 0.00 H new ATOM 0 HG SER A 33 -18.896 -8.131 5.316 1.00 0.00 H new ATOM 446 N THR A 34 -18.426 -4.267 1.846 1.00 0.00 N ATOM 447 CA THR A 34 -19.088 -3.177 1.140 1.00 0.00 C ATOM 448 C THR A 34 -18.083 -2.129 0.678 1.00 0.00 C ATOM 449 O THR A 34 -16.902 -2.193 1.023 1.00 0.00 O ATOM 450 CB THR A 34 -20.150 -2.498 2.026 1.00 0.00 C ATOM 451 OG1 THR A 34 -20.914 -1.569 1.250 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.497 -1.774 3.194 1.00 0.00 C ATOM 0 H THR A 34 -17.618 -3.981 2.399 1.00 0.00 H new ATOM 0 HA THR A 34 -19.577 -3.615 0.270 1.00 0.00 H new ATOM 0 HB THR A 34 -20.810 -3.270 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.588 -1.143 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.266 -1.302 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.940 -2.489 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.817 -1.011 2.815 1.00 0.00 H new ATOM 460 N ILE A 35 -18.557 -1.165 -0.104 1.00 0.00 N ATOM 461 CA ILE A 35 -17.699 -0.102 -0.611 1.00 0.00 C ATOM 462 C ILE A 35 -17.360 0.902 0.485 1.00 0.00 C ATOM 463 O ILE A 35 -18.175 1.172 1.367 1.00 0.00 O ATOM 464 CB ILE A 35 -18.359 0.642 -1.787 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.984 -0.356 -2.764 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.340 1.521 -2.497 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.752 0.301 -3.890 1.00 0.00 C ATOM 0 H ILE A 35 -19.531 -1.098 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.782 -0.577 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.150 1.281 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.196 -0.979 -3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.654 -1.018 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.822 2.040 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.938 2.252 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.529 0.901 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.167 -0.466 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.562 0.902 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.081 0.941 -4.463 1.00 0.00 H new ATOM 479 N ILE A 36 -16.152 1.453 0.422 1.00 0.00 N ATOM 480 CA ILE A 36 -15.707 2.430 1.408 1.00 0.00 C ATOM 481 C ILE A 36 -14.377 3.056 1.000 1.00 0.00 C ATOM 482 O ILE A 36 -13.552 2.414 0.352 1.00 0.00 O ATOM 483 CB ILE A 36 -15.556 1.794 2.802 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.170 2.857 3.833 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.518 0.681 2.767 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.365 2.409 5.265 1.00 0.00 C ATOM 0 H ILE A 36 -15.465 1.240 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.472 3.205 1.452 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.514 1.363 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.126 3.132 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.764 3.754 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.423 0.241 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.831 -0.086 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.556 1.090 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.071 3.212 5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.414 2.162 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.750 1.530 5.458 1.00 0.00 H new ATOM 498 N GLN A 37 -14.178 4.312 1.386 1.00 0.00 N ATOM 499 CA GLN A 37 -12.948 5.024 1.061 1.00 0.00 C ATOM 500 C GLN A 37 -11.977 4.997 2.236 1.00 0.00 C ATOM 501 O GLN A 37 -12.169 5.698 3.229 1.00 0.00 O ATOM 502 CB GLN A 37 -13.258 6.471 0.673 1.00 0.00 C ATOM 503 CG GLN A 37 -12.034 7.259 0.235 1.00 0.00 C ATOM 504 CD GLN A 37 -12.228 8.757 0.364 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.334 9.269 0.185 1.00 0.00 O ATOM 506 NE2 GLN A 37 -11.152 9.469 0.676 1.00 0.00 N ATOM 0 H GLN A 37 -14.852 4.857 1.924 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.480 4.521 0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.989 6.473 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.720 6.975 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.177 6.954 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.801 7.014 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.255 9.003 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.222 10.482 0.776 1.00 0.00 H new ATOM 515 N GLY A 38 -10.932 4.183 2.117 1.00 0.00 N ATOM 516 CA GLY A 38 -9.947 4.080 3.177 1.00 0.00 C ATOM 517 C GLY A 38 -8.632 4.741 2.813 1.00 0.00 C ATOM 518 O GLY A 38 -8.564 5.529 1.869 1.00 0.00 O ATOM 0 H GLY A 38 -10.751 3.593 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.343 4.540 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.771 3.029 3.404 1.00 0.00 H new ATOM 522 N THR A 39 -7.583 4.423 3.565 1.00 0.00 N ATOM 523 CA THR A 39 -6.265 4.994 3.319 1.00 0.00 C ATOM 524 C THR A 39 -5.172 3.944 3.479 1.00 0.00 C ATOM 525 O THR A 39 -5.281 3.042 4.310 1.00 0.00 O ATOM 526 CB THR A 39 -5.975 6.169 4.272 1.00 0.00 C ATOM 527 OG1 THR A 39 -6.911 7.228 4.044 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.558 6.687 4.077 1.00 0.00 C ATOM 0 H THR A 39 -7.621 3.773 4.350 1.00 0.00 H new ATOM 0 HA THR A 39 -6.266 5.360 2.292 1.00 0.00 H new ATOM 0 HB THR A 39 -6.076 5.810 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.721 7.970 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.376 7.516 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.847 5.887 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.434 7.030 3.050 1.00 0.00 H new ATOM 536 N TRP A 40 -4.119 4.066 2.678 1.00 0.00 N ATOM 537 CA TRP A 40 -3.006 3.126 2.732 1.00 0.00 C ATOM 538 C TRP A 40 -1.880 3.664 3.608 1.00 0.00 C ATOM 539 O TRP A 40 -1.585 4.860 3.591 1.00 0.00 O ATOM 540 CB TRP A 40 -2.481 2.844 1.323 1.00 0.00 C ATOM 541 CG TRP A 40 -3.361 1.920 0.535 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.237 2.268 -0.453 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.451 0.498 0.672 1.00 0.00 C ATOM 544 NE1 TRP A 40 -4.866 1.147 -0.939 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.401 0.048 -0.266 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.821 -0.440 1.495 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.734 -1.297 -0.401 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.152 -1.774 1.359 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.101 -2.193 0.417 1.00 0.00 C ATOM 0 H TRP A 40 -4.013 4.806 1.984 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.370 2.197 3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.382 3.787 0.785 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.483 2.411 1.395 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.410 3.276 -0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.566 1.135 -1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.088 -0.127 2.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.466 -1.622 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.671 -2.507 1.990 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.337 -3.244 0.335 1.00 0.00 H new ATOM 560 N PHE A 41 -1.254 2.776 4.373 1.00 0.00 N ATOM 561 CA PHE A 41 -0.161 3.163 5.256 1.00 0.00 C ATOM 562 C PHE A 41 1.133 2.457 4.862 1.00 0.00 C ATOM 563 O PHE A 41 1.112 1.442 4.165 1.00 0.00 O ATOM 564 CB PHE A 41 -0.512 2.836 6.709 1.00 0.00 C ATOM 565 CG PHE A 41 -1.217 3.955 7.422 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.485 4.353 7.031 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.612 4.608 8.483 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.136 5.382 7.684 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.258 5.638 9.141 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.522 6.025 8.741 1.00 0.00 C ATOM 0 H PHE A 41 -1.485 1.783 4.399 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.011 4.238 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.143 1.947 6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.403 2.591 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.970 3.853 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.376 4.309 8.800 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.124 5.683 7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.775 6.139 9.967 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.029 6.829 9.254 1.00 0.00 H new ATOM 580 N LEU A 42 2.258 3.001 5.314 1.00 0.00 N ATOM 581 CA LEU A 42 3.563 2.425 5.009 1.00 0.00 C ATOM 582 C LEU A 42 4.551 2.685 6.141 1.00 0.00 C ATOM 583 O LEU A 42 4.933 3.826 6.395 1.00 0.00 O ATOM 584 CB LEU A 42 4.105 3.003 3.701 1.00 0.00 C ATOM 585 CG LEU A 42 5.449 2.448 3.227 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.264 1.090 2.570 1.00 0.00 C ATOM 587 CD2 LEU A 42 6.119 3.421 2.267 1.00 0.00 C ATOM 0 H LEU A 42 2.292 3.840 5.893 1.00 0.00 H new ATOM 0 HA LEU A 42 3.440 1.348 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.367 2.831 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.201 4.083 3.816 1.00 0.00 H new ATOM 0 HG LEU A 42 6.095 2.323 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.231 0.711 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.828 0.395 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.600 1.189 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.074 3.010 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.476 3.579 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.287 4.372 2.772 1.00 0.00 H new ATOM 599 N ASN A 43 4.963 1.617 6.817 1.00 0.00 N ATOM 600 CA ASN A 43 5.908 1.730 7.922 1.00 0.00 C ATOM 601 C ASN A 43 5.323 2.567 9.056 1.00 0.00 C ATOM 602 O ASN A 43 6.010 3.399 9.646 1.00 0.00 O ATOM 603 CB ASN A 43 7.219 2.354 7.437 1.00 0.00 C ATOM 604 CG ASN A 43 8.034 1.398 6.588 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.384 0.303 7.028 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.341 1.810 5.363 1.00 0.00 N ATOM 0 H ASN A 43 4.657 0.664 6.619 1.00 0.00 H new ATOM 0 HA ASN A 43 6.108 0.727 8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.999 3.252 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.810 2.666 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.888 1.210 4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.030 2.726 5.040 1.00 0.00 H new ATOM 613 N GLY A 44 4.048 2.338 9.356 1.00 0.00 N ATOM 614 CA GLY A 44 3.392 3.077 10.418 1.00 0.00 C ATOM 615 C GLY A 44 2.905 4.438 9.962 1.00 0.00 C ATOM 616 O GLY A 44 1.918 4.958 10.482 1.00 0.00 O ATOM 0 H GLY A 44 3.458 1.654 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.547 2.498 10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.084 3.202 11.250 1.00 0.00 H new ATOM 620 N GLU A 45 3.599 5.018 8.988 1.00 0.00 N ATOM 621 CA GLU A 45 3.233 6.328 8.464 1.00 0.00 C ATOM 622 C GLU A 45 2.073 6.215 7.479 1.00 0.00 C ATOM 623 O GLU A 45 1.680 5.116 7.091 1.00 0.00 O ATOM 624 CB GLU A 45 4.435 6.984 7.781 1.00 0.00 C ATOM 625 CG GLU A 45 5.387 7.665 8.749 1.00 0.00 C ATOM 626 CD GLU A 45 6.801 7.757 8.208 1.00 0.00 C ATOM 627 OE1 GLU A 45 7.331 6.721 7.754 1.00 0.00 O ATOM 628 OE2 GLU A 45 7.378 8.864 8.239 1.00 0.00 O ATOM 0 H GLU A 45 4.418 4.601 8.546 1.00 0.00 H new ATOM 0 HA GLU A 45 2.917 6.950 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.981 6.226 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.076 7.718 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.020 8.668 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.397 7.115 9.690 1.00 0.00 H new ATOM 635 N GLU A 46 1.530 7.361 7.079 1.00 0.00 N ATOM 636 CA GLU A 46 0.415 7.391 6.140 1.00 0.00 C ATOM 637 C GLU A 46 0.874 7.867 4.764 1.00 0.00 C ATOM 638 O GLU A 46 1.900 8.536 4.637 1.00 0.00 O ATOM 639 CB GLU A 46 -0.697 8.302 6.663 1.00 0.00 C ATOM 640 CG GLU A 46 -1.925 8.340 5.768 1.00 0.00 C ATOM 641 CD GLU A 46 -2.950 9.359 6.226 1.00 0.00 C ATOM 642 OE1 GLU A 46 -2.816 10.544 5.855 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.886 8.971 6.957 1.00 0.00 O ATOM 0 H GLU A 46 1.844 8.280 7.391 1.00 0.00 H new ATOM 0 HA GLU A 46 0.028 6.377 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.993 7.966 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.306 9.313 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.619 8.571 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.385 7.352 5.747 1.00 0.00 H new ATOM 650 N LEU A 47 0.107 7.517 3.738 1.00 0.00 N ATOM 651 CA LEU A 47 0.434 7.908 2.371 1.00 0.00 C ATOM 652 C LEU A 47 -0.448 9.064 1.909 1.00 0.00 C ATOM 653 O LEU A 47 -1.633 9.126 2.239 1.00 0.00 O ATOM 654 CB LEU A 47 0.269 6.717 1.426 1.00 0.00 C ATOM 655 CG LEU A 47 1.210 5.535 1.664 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.612 4.255 1.102 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.573 5.806 1.045 1.00 0.00 C ATOM 0 H LEU A 47 -0.745 6.964 3.826 1.00 0.00 H new ATOM 0 HA LEU A 47 1.473 8.238 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.758 6.359 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.410 7.068 0.404 1.00 0.00 H new ATOM 0 HG LEU A 47 1.340 5.409 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.296 3.425 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.340 4.053 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.452 4.369 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.230 4.955 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.461 5.959 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.006 6.699 1.495 1.00 0.00 H new ATOM 910 N ARG A 64 0.669 2.814 -6.840 1.00 0.00 N ATOM 911 CA ARG A 64 -0.625 2.889 -7.507 1.00 0.00 C ATOM 912 C ARG A 64 -1.736 2.375 -6.597 1.00 0.00 C ATOM 913 O ARG A 64 -1.779 1.191 -6.260 1.00 0.00 O ATOM 914 CB ARG A 64 -0.600 2.081 -8.806 1.00 0.00 C ATOM 915 CG ARG A 64 -1.865 2.226 -9.637 1.00 0.00 C ATOM 916 CD ARG A 64 -1.663 1.712 -11.053 1.00 0.00 C ATOM 917 NE ARG A 64 -0.661 2.488 -11.779 1.00 0.00 N ATOM 918 CZ ARG A 64 -0.602 2.556 -13.105 1.00 0.00 C ATOM 919 NH1 ARG A 64 -1.484 1.898 -13.845 1.00 0.00 N ATOM 920 NH2 ARG A 64 0.339 3.283 -13.692 1.00 0.00 N ATOM 0 HA ARG A 64 -0.825 3.935 -7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.255 2.396 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.451 1.028 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.678 1.677 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.163 3.274 -9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.357 0.666 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.610 1.750 -11.591 1.00 0.00 H new ATOM 0 HE ARG A 64 0.032 3.006 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.209 1.338 -13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.437 1.952 -14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.019 3.791 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.383 3.334 -14.710 1.00 0.00 H new ATOM 934 N ILE A 65 -2.633 3.273 -6.202 1.00 0.00 N ATOM 935 CA ILE A 65 -3.744 2.910 -5.331 1.00 0.00 C ATOM 936 C ILE A 65 -5.053 2.844 -6.110 1.00 0.00 C ATOM 937 O ILE A 65 -5.458 3.817 -6.746 1.00 0.00 O ATOM 938 CB ILE A 65 -3.900 3.910 -4.170 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.631 3.934 -3.315 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.111 3.552 -3.322 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.478 5.196 -2.496 1.00 0.00 C ATOM 0 H ILE A 65 -2.612 4.257 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.516 1.925 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.054 4.906 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.638 3.074 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.763 3.825 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.208 4.268 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.009 3.582 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.985 2.550 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.557 5.143 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.439 6.059 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.328 5.297 -1.821 1.00 0.00 H new ATOM 953 N GLU A 66 -5.712 1.691 -6.053 1.00 0.00 N ATOM 954 CA GLU A 66 -6.977 1.499 -6.753 1.00 0.00 C ATOM 955 C GLU A 66 -8.049 0.970 -5.804 1.00 0.00 C ATOM 956 O GLU A 66 -7.908 -0.112 -5.236 1.00 0.00 O ATOM 957 CB GLU A 66 -6.795 0.532 -7.925 1.00 0.00 C ATOM 958 CG GLU A 66 -6.070 -0.750 -7.550 1.00 0.00 C ATOM 959 CD GLU A 66 -6.475 -1.925 -8.419 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.037 -1.978 -9.587 1.00 0.00 O ATOM 961 OE2 GLU A 66 -7.230 -2.791 -7.929 1.00 0.00 O ATOM 0 H GLU A 66 -5.391 0.876 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.301 2.466 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.774 0.280 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.240 1.035 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.995 -0.593 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.275 -0.987 -6.506 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.537 -2.465 -3.010 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.885 -3.209 -1.938 1.00 0.00 C ATOM 1016 C LEU A 70 -13.658 -3.951 -2.459 1.00 0.00 C ATOM 1017 O LEU A 70 -13.316 -5.025 -1.965 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.866 -4.200 -1.309 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.974 -4.720 -2.225 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.377 -6.132 -1.826 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.178 -3.789 -2.187 1.00 0.00 C ATOM 0 HA LEU A 70 -14.561 -2.497 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.300 -5.054 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.330 -3.723 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.593 -4.747 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.167 -6.486 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.514 -6.793 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.740 -6.130 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.957 -4.175 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.560 -3.730 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.880 -2.795 -2.521 1.00 0.00 H new ATOM 1033 N GLN A 71 -13.001 -3.370 -3.457 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.811 -3.976 -4.042 1.00 0.00 C ATOM 1035 C GLN A 71 -10.645 -2.993 -4.048 1.00 0.00 C ATOM 1036 O GLN A 71 -10.586 -2.089 -4.882 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.102 -4.448 -5.468 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.237 -5.617 -5.911 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.689 -6.210 -7.231 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.914 -5.490 -8.204 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.825 -7.531 -7.271 1.00 0.00 N ATOM 0 H GLN A 71 -13.272 -2.481 -3.877 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.535 -4.835 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.151 -4.736 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.952 -3.615 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.203 -5.285 -6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.258 -6.391 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.628 -8.089 -6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.127 -7.987 -8.132 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.720 -3.175 -3.111 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.555 -2.303 -3.008 1.00 0.00 C ATOM 1052 C HIS A 72 -7.292 -3.028 -3.463 1.00 0.00 C ATOM 1053 O HIS A 72 -7.225 -4.257 -3.433 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.385 -1.811 -1.570 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.557 -1.030 -1.062 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.457 0.269 -0.611 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.861 -1.371 -0.936 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.648 0.693 -0.229 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.518 -0.283 -0.416 1.00 0.00 N ATOM 0 H HIS A 72 -9.754 -3.918 -2.413 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.715 -1.445 -3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.221 -2.669 -0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.491 -1.190 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.302 -2.322 -1.196 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.872 1.672 0.169 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.515 -0.236 -0.208 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.293 -2.259 -3.884 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.033 -2.828 -4.347 1.00 0.00 C ATOM 1069 C ARG A 73 -3.949 -1.757 -4.428 1.00 0.00 C ATOM 1070 O ARG A 73 -4.120 -0.735 -5.093 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.218 -3.486 -5.716 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.117 -4.471 -6.072 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.235 -4.940 -7.514 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.397 -6.106 -7.780 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.635 -6.975 -8.757 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.681 -6.810 -9.555 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.827 -8.012 -8.936 1.00 0.00 N ATOM 0 H ARG A 73 -6.332 -1.240 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.719 -3.584 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.177 -4.004 -5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.260 -2.710 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.145 -4.003 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.166 -5.330 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.275 -5.183 -7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.950 -4.128 -8.184 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.585 -6.262 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.305 -6.015 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.861 -7.478 -10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.022 -8.143 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.011 -8.678 -9.686 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.835 -1.997 -3.745 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.723 -1.053 -3.739 1.00 0.00 C ATOM 1093 C LEU A 74 -0.467 -1.687 -4.329 1.00 0.00 C ATOM 1094 O LEU A 74 0.078 -2.641 -3.773 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.444 -0.573 -2.313 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.150 0.216 -2.112 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.218 1.547 -2.845 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.117 0.434 -0.630 1.00 0.00 C ATOM 0 H LEU A 74 -2.678 -2.837 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.000 -0.198 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.279 0.049 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.422 -1.443 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 74 0.675 -0.363 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.711 2.095 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.362 1.369 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.053 2.132 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.042 0.997 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.709 0.992 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.210 -0.531 -0.131 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.013 -1.149 -5.456 1.00 0.00 N ATOM 1111 CA ILE A 75 1.180 -1.660 -6.119 1.00 0.00 C ATOM 1112 C ILE A 75 2.343 -0.683 -5.987 1.00 0.00 C ATOM 1113 O ILE A 75 2.179 0.524 -6.171 1.00 0.00 O ATOM 1114 CB ILE A 75 0.921 -1.934 -7.612 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.390 -2.702 -7.792 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.082 -2.708 -8.218 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.595 -1.806 -7.978 1.00 0.00 C ATOM 0 H ILE A 75 -0.453 -0.360 -5.929 1.00 0.00 H new ATOM 0 HA ILE A 75 1.438 -2.597 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 75 0.836 -0.980 -8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.300 -3.360 -8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.551 -3.338 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.884 -2.894 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.999 -2.127 -8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.197 -3.659 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.488 -2.418 -8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.710 -1.165 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.455 -1.188 -8.865 1.00 0.00 H new ATOM 1129 N LEU A 76 3.520 -1.212 -5.668 1.00 0.00 N ATOM 1130 CA LEU A 76 4.713 -0.387 -5.513 1.00 0.00 C ATOM 1131 C LEU A 76 5.854 -0.912 -6.378 1.00 0.00 C ATOM 1132 O LEU A 76 6.554 -1.852 -5.997 1.00 0.00 O ATOM 1133 CB LEU A 76 5.144 -0.350 -4.046 1.00 0.00 C ATOM 1134 CG LEU A 76 4.041 -0.055 -3.029 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.378 -0.674 -1.682 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.831 1.446 -2.891 1.00 0.00 C ATOM 0 H LEU A 76 3.673 -2.208 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 76 4.471 0.624 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.593 -1.311 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.923 0.404 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 76 3.113 -0.500 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.582 -0.454 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.477 -1.754 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.317 -0.259 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.042 1.638 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.757 1.913 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.543 1.863 -3.856 1.00 0.00 H new ATOM 1148 N HIS A 77 6.038 -0.299 -7.543 1.00 0.00 N ATOM 1149 CA HIS A 77 7.097 -0.703 -8.461 1.00 0.00 C ATOM 1150 C HIS A 77 8.438 -0.111 -8.038 1.00 0.00 C ATOM 1151 O HIS A 77 8.535 1.078 -7.736 1.00 0.00 O ATOM 1152 CB HIS A 77 6.760 -0.266 -9.886 1.00 0.00 C ATOM 1153 CG HIS A 77 5.289 -0.159 -10.148 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.383 0.764 -9.749 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.590 -1.077 -10.903 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.167 0.392 -10.265 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.319 -0.722 -10.958 1.00 0.00 N flip ATOM 0 H HIS A 77 5.468 0.479 -7.874 1.00 0.00 H new ATOM 0 HA HIS A 77 7.174 -1.790 -8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.227 0.700 -10.081 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.195 -0.978 -10.588 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.015 -1.950 -11.376 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.237 0.924 -10.127 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.580 -1.223 -11.452 1.00 0.00 H new ATOM 1166 N ALA A 78 9.470 -0.949 -8.019 1.00 0.00 N ATOM 1167 CA ALA A 78 10.805 -0.508 -7.634 1.00 0.00 C ATOM 1168 C ALA A 78 10.898 -0.290 -6.128 1.00 0.00 C ATOM 1169 O ALA A 78 11.280 0.787 -5.669 1.00 0.00 O ATOM 1170 CB ALA A 78 11.174 0.767 -8.378 1.00 0.00 C ATOM 0 H ALA A 78 9.407 -1.937 -8.266 1.00 0.00 H new ATOM 0 HA ALA A 78 11.512 -1.292 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.173 1.085 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.157 0.580 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.456 1.551 -8.135 1.00 0.00 H new ATOM 1176 N VAL A 79 10.546 -1.318 -5.363 1.00 0.00 N ATOM 1177 CA VAL A 79 10.591 -1.239 -3.908 1.00 0.00 C ATOM 1178 C VAL A 79 12.028 -1.273 -3.399 1.00 0.00 C ATOM 1179 O VAL A 79 12.843 -2.072 -3.860 1.00 0.00 O ATOM 1180 CB VAL A 79 9.802 -2.391 -3.258 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.310 -2.219 -3.500 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.285 -3.733 -3.789 1.00 0.00 C ATOM 0 H VAL A 79 10.226 -2.216 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 79 10.132 -0.291 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 79 9.977 -2.367 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.768 -3.042 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.978 -1.275 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.113 -2.217 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.717 -4.536 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.141 -3.770 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.344 -3.855 -3.560 1.00 0.00 H new ATOM 1192 N LYS A 80 12.333 -0.399 -2.445 1.00 0.00 N ATOM 1193 CA LYS A 80 13.671 -0.329 -1.871 1.00 0.00 C ATOM 1194 C LYS A 80 13.828 -1.329 -0.731 1.00 0.00 C ATOM 1195 O LYS A 80 12.881 -1.592 0.012 1.00 0.00 O ATOM 1196 CB LYS A 80 13.957 1.087 -1.365 1.00 0.00 C ATOM 1197 CG LYS A 80 14.176 2.098 -2.477 1.00 0.00 C ATOM 1198 CD LYS A 80 12.858 2.617 -3.027 1.00 0.00 C ATOM 1199 CE LYS A 80 12.349 3.805 -2.225 1.00 0.00 C ATOM 1200 NZ LYS A 80 11.141 4.416 -2.846 1.00 0.00 N ATOM 0 H LYS A 80 11.671 0.271 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 80 14.388 -0.581 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.124 1.417 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.840 1.064 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.768 2.932 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.750 1.637 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.987 2.909 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.115 1.819 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.113 3.484 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.136 4.555 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.825 5.222 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.372 4.745 -3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.381 3.708 -2.897 1.00 0.00 H new ATOM 1214 N HIS A 81 15.028 -1.884 -0.596 1.00 0.00 N ATOM 1215 CA HIS A 81 15.309 -2.854 0.456 1.00 0.00 C ATOM 1216 C HIS A 81 15.333 -2.179 1.825 1.00 0.00 C ATOM 1217 O HIS A 81 14.782 -2.701 2.793 1.00 0.00 O ATOM 1218 CB HIS A 81 16.644 -3.551 0.194 1.00 0.00 C ATOM 1219 CG HIS A 81 17.299 -4.076 1.434 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.819 -5.160 2.138 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.405 -3.660 2.095 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.600 -5.388 3.179 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.571 -4.491 3.175 1.00 0.00 N ATOM 0 H HIS A 81 15.822 -1.678 -1.202 1.00 0.00 H new ATOM 0 HA HIS A 81 14.513 -3.599 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.484 -4.376 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.320 -2.850 -0.295 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.990 -5.702 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.039 -2.829 1.823 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.468 -6.173 3.909 1.00 0.00 H new ATOM 1232 N GLN A 82 15.977 -1.019 1.895 1.00 0.00 N ATOM 1233 CA GLN A 82 16.074 -0.275 3.145 1.00 0.00 C ATOM 1234 C GLN A 82 14.755 -0.321 3.911 1.00 0.00 C ATOM 1235 O GLN A 82 14.742 -0.365 5.141 1.00 0.00 O ATOM 1236 CB GLN A 82 16.466 1.178 2.870 1.00 0.00 C ATOM 1237 CG GLN A 82 15.398 1.966 2.129 1.00 0.00 C ATOM 1238 CD GLN A 82 15.615 3.465 2.213 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.533 4.006 1.597 1.00 0.00 O ATOM 1240 NE2 GLN A 82 14.768 4.143 2.978 1.00 0.00 N ATOM 0 H GLN A 82 16.439 -0.574 1.102 1.00 0.00 H new ATOM 0 HA GLN A 82 16.845 -0.743 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.680 1.673 3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.387 1.193 2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.388 1.662 1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.419 1.721 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.021 3.653 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.864 5.154 3.073 1.00 0.00 H new ATOM 1249 N ASP A 83 13.650 -0.311 3.175 1.00 0.00 N ATOM 1250 CA ASP A 83 12.325 -0.353 3.784 1.00 0.00 C ATOM 1251 C ASP A 83 11.874 -1.794 4.005 1.00 0.00 C ATOM 1252 O ASP A 83 10.683 -2.099 3.939 1.00 0.00 O ATOM 1253 CB ASP A 83 11.313 0.382 2.905 1.00 0.00 C ATOM 1254 CG ASP A 83 11.557 1.878 2.868 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.036 2.426 3.882 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.268 2.501 1.824 1.00 0.00 O ATOM 0 H ASP A 83 13.645 -0.274 2.156 1.00 0.00 H new ATOM 0 HA ASP A 83 12.381 0.144 4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.360 -0.016 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.306 0.190 3.277 1.00 0.00 H new ATOM 1261 N SER A 84 12.834 -2.676 4.266 1.00 0.00 N ATOM 1262 CA SER A 84 12.536 -4.085 4.492 1.00 0.00 C ATOM 1263 C SER A 84 11.490 -4.250 5.591 1.00 0.00 C ATOM 1264 O SER A 84 11.247 -3.334 6.375 1.00 0.00 O ATOM 1265 CB SER A 84 13.810 -4.844 4.867 1.00 0.00 C ATOM 1266 OG SER A 84 13.530 -6.204 5.148 1.00 0.00 O ATOM 0 H SER A 84 13.824 -2.439 4.326 1.00 0.00 H new ATOM 0 HA SER A 84 12.134 -4.499 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.529 -4.779 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.272 -4.377 5.737 1.00 0.00 H new ATOM 0 HG SER A 84 13.771 -6.754 4.374 1.00 0.00 H new ATOM 1272 N GLY A 85 10.873 -5.427 5.640 1.00 0.00 N ATOM 1273 CA GLY A 85 9.861 -5.692 6.645 1.00 0.00 C ATOM 1274 C GLY A 85 8.996 -4.480 6.931 1.00 0.00 C ATOM 1275 O GLY A 85 8.736 -4.154 8.089 1.00 0.00 O ATOM 0 H GLY A 85 11.056 -6.201 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.229 -6.515 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.345 -6.015 7.567 1.00 0.00 H new ATOM 1279 N ALA A 86 8.551 -3.811 5.873 1.00 0.00 N ATOM 1280 CA ALA A 86 7.710 -2.628 6.016 1.00 0.00 C ATOM 1281 C ALA A 86 6.335 -2.995 6.563 1.00 0.00 C ATOM 1282 O ALA A 86 5.983 -4.173 6.649 1.00 0.00 O ATOM 1283 CB ALA A 86 7.575 -1.913 4.680 1.00 0.00 C ATOM 0 H ALA A 86 8.758 -4.067 4.908 1.00 0.00 H new ATOM 0 HA ALA A 86 8.188 -1.956 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.945 -1.032 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.561 -1.609 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.122 -2.586 3.951 1.00 0.00 H new ATOM 1289 N LEU A 87 5.561 -1.981 6.933 1.00 0.00 N ATOM 1290 CA LEU A 87 4.223 -2.197 7.473 1.00 0.00 C ATOM 1291 C LEU A 87 3.167 -1.533 6.595 1.00 0.00 C ATOM 1292 O LEU A 87 2.882 -0.344 6.740 1.00 0.00 O ATOM 1293 CB LEU A 87 4.133 -1.651 8.899 1.00 0.00 C ATOM 1294 CG LEU A 87 3.220 -2.419 9.855 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.857 -2.651 9.222 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.857 -3.743 10.253 1.00 0.00 C ATOM 0 H LEU A 87 5.837 -1.001 6.869 1.00 0.00 H new ATOM 0 HA LEU A 87 4.034 -3.270 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.137 -1.632 9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.788 -0.618 8.850 1.00 0.00 H new ATOM 0 HG LEU A 87 3.082 -1.819 10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.221 -3.199 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.396 -1.691 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.975 -3.229 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.193 -4.276 10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.025 -4.348 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.809 -3.554 10.749 1.00 0.00 H new ATOM 1308 N VAL A 88 2.589 -2.309 5.684 1.00 0.00 N ATOM 1309 CA VAL A 88 1.562 -1.797 4.784 1.00 0.00 C ATOM 1310 C VAL A 88 0.173 -2.246 5.224 1.00 0.00 C ATOM 1311 O VAL A 88 -0.175 -3.421 5.117 1.00 0.00 O ATOM 1312 CB VAL A 88 1.804 -2.260 3.335 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.811 -1.600 2.391 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.234 -1.960 2.913 1.00 0.00 C ATOM 0 H VAL A 88 2.814 -3.295 5.549 1.00 0.00 H new ATOM 0 HA VAL A 88 1.619 -0.709 4.824 1.00 0.00 H new ATOM 0 HB VAL A 88 1.653 -3.338 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.997 -1.939 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.204 -1.870 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.927 -0.517 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.388 -2.293 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.415 -0.887 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.926 -2.484 3.573 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.619 -1.300 5.720 1.00 0.00 N ATOM 1325 CA GLY A 89 -1.963 -1.617 6.169 1.00 0.00 C ATOM 1326 C GLY A 89 -2.993 -0.631 5.656 1.00 0.00 C ATOM 1327 O GLY A 89 -2.716 0.564 5.541 1.00 0.00 O ATOM 0 H GLY A 89 -0.354 -0.320 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.227 -2.620 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.986 -1.627 7.259 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.185 -1.130 5.346 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.260 -0.284 4.841 1.00 0.00 C ATOM 1333 C PHE A 90 -6.202 0.130 5.967 1.00 0.00 C ATOM 1334 O PHE A 90 -7.004 -0.671 6.447 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.043 -1.016 3.749 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.433 -0.484 3.549 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.674 0.540 2.646 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.499 -1.007 4.263 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.952 1.032 2.461 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.780 -0.519 4.081 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.006 0.501 3.178 1.00 0.00 C ATOM 0 H PHE A 90 -4.431 -2.116 5.436 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.812 0.615 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.496 -0.942 2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.101 -2.075 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.854 0.958 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.327 -1.805 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.126 1.831 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.602 -0.935 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.006 0.883 3.033 1.00 0.00 H new ATOM 1351 N SER A 91 -6.098 1.387 6.386 1.00 0.00 N ATOM 1352 CA SER A 91 -6.937 1.908 7.459 1.00 0.00 C ATOM 1353 C SER A 91 -8.208 2.538 6.898 1.00 0.00 C ATOM 1354 O SER A 91 -8.154 3.364 5.986 1.00 0.00 O ATOM 1355 CB SER A 91 -6.165 2.939 8.284 1.00 0.00 C ATOM 1356 OG SER A 91 -5.713 4.008 7.472 1.00 0.00 O ATOM 0 H SER A 91 -5.441 2.064 5.999 1.00 0.00 H new ATOM 0 HA SER A 91 -7.219 1.075 8.103 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.804 3.326 9.078 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.313 2.459 8.766 1.00 0.00 H new ATOM 0 HG SER A 91 -4.735 3.984 7.414 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.350 2.142 7.449 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.636 2.667 7.004 1.00 0.00 C ATOM 1364 C CYS A 92 -11.641 2.689 8.151 1.00 0.00 C ATOM 1365 O CYS A 92 -11.516 1.957 9.133 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.182 1.826 5.849 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.293 0.496 6.364 1.00 0.00 S ATOM 0 H CYS A 92 -9.412 1.459 8.204 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.483 3.690 6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.712 2.480 5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.345 1.394 5.301 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.703 -0.157 5.317 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.661 3.551 8.028 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.707 3.690 9.046 1.00 0.00 C ATOM 1375 C PRO A 93 -14.618 2.469 9.113 1.00 0.00 C ATOM 1376 O PRO A 93 -15.726 2.479 8.579 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.493 4.919 8.581 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.264 4.980 7.110 1.00 0.00 C ATOM 1379 CD PRO A 93 -12.873 4.454 6.885 1.00 0.00 C ATOM 0 HA PRO A 93 -13.290 3.788 10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.554 4.822 8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.140 5.825 9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.000 4.379 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.359 6.002 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.792 3.926 5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.137 5.258 6.866 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.142 1.417 9.773 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.927 0.203 9.897 1.00 0.00 C ATOM 1389 C GLY A 94 -14.072 -1.047 9.855 1.00 0.00 C ATOM 1390 O GLY A 94 -14.523 -2.130 10.228 1.00 0.00 O ATOM 0 H GLY A 94 -13.227 1.384 10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.483 0.228 10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.661 0.165 9.092 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.832 -0.899 9.397 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.911 -2.026 9.306 1.00 0.00 C ATOM 1396 C VAL A 95 -10.483 -1.595 9.618 1.00 0.00 C ATOM 1397 O VAL A 95 -10.093 -0.461 9.342 1.00 0.00 O ATOM 1398 CB VAL A 95 -11.947 -2.669 7.907 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.819 -3.677 7.753 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.297 -3.324 7.656 1.00 0.00 C ATOM 0 H VAL A 95 -12.443 -0.010 9.083 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.236 -2.760 10.044 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.805 -1.885 7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -10.861 -4.121 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.861 -3.174 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.925 -4.460 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.304 -3.773 6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.471 -4.096 8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.084 -2.572 7.720 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.708 -2.507 10.195 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.322 -2.220 10.545 1.00 0.00 C ATOM 1412 C GLN A 96 -7.447 -3.457 10.363 1.00 0.00 C ATOM 1413 O GLN A 96 -7.510 -4.396 11.156 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.230 -1.725 11.990 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.115 -0.522 12.277 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.012 -0.053 13.715 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -9.366 -0.779 14.644 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -8.524 1.167 13.906 1.00 0.00 N ATOM 0 H GLN A 96 -10.016 -3.451 10.430 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.960 -1.439 9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.506 -2.538 12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.195 -1.466 12.212 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.838 0.295 11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.151 -0.777 12.055 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.243 1.735 13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.430 1.536 14.852 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.633 -3.449 9.313 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.745 -4.570 9.027 1.00 0.00 C ATOM 1429 C ASP A 97 -4.383 -4.076 8.548 1.00 0.00 C ATOM 1430 O ASP A 97 -4.224 -2.906 8.199 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.368 -5.486 7.973 1.00 0.00 C ATOM 1432 CG ASP A 97 -7.121 -4.714 6.908 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.474 -4.233 5.954 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -8.358 -4.592 7.027 1.00 0.00 O ATOM 0 H ASP A 97 -6.570 -2.680 8.646 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.604 -5.134 9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.584 -6.079 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.048 -6.185 8.460 1.00 0.00 H new ATOM 1439 N SER A 98 -3.404 -4.974 8.536 1.00 0.00 N ATOM 1440 CA SER A 98 -2.055 -4.628 8.104 1.00 0.00 C ATOM 1441 C SER A 98 -1.301 -5.868 7.630 1.00 0.00 C ATOM 1442 O SER A 98 -1.507 -6.967 8.145 1.00 0.00 O ATOM 1443 CB SER A 98 -1.288 -3.957 9.246 1.00 0.00 C ATOM 1444 OG SER A 98 -1.090 -4.855 10.324 1.00 0.00 O ATOM 0 H SER A 98 -3.519 -5.947 8.820 1.00 0.00 H new ATOM 0 HA SER A 98 -2.135 -3.931 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.324 -3.603 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.838 -3.083 9.593 1.00 0.00 H new ATOM 0 HG SER A 98 -0.596 -4.403 11.040 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.429 -5.681 6.646 1.00 0.00 N ATOM 1451 CA ALA A 99 0.357 -6.782 6.103 1.00 0.00 C ATOM 1452 C ALA A 99 1.851 -6.490 6.197 1.00 0.00 C ATOM 1453 O ALA A 99 2.277 -5.341 6.081 1.00 0.00 O ATOM 1454 CB ALA A 99 -0.039 -7.052 4.659 1.00 0.00 C ATOM 0 H ALA A 99 -0.249 -4.778 6.208 1.00 0.00 H new ATOM 0 HA ALA A 99 0.149 -7.671 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.556 -7.877 4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.096 -7.314 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.139 -6.159 4.060 1.00 0.00 H new ATOM 1460 N ALA A 100 2.642 -7.536 6.411 1.00 0.00 N ATOM 1461 CA ALA A 100 4.088 -7.392 6.520 1.00 0.00 C ATOM 1462 C ALA A 100 4.748 -7.427 5.146 1.00 0.00 C ATOM 1463 O ALA A 100 4.488 -8.325 4.343 1.00 0.00 O ATOM 1464 CB ALA A 100 4.662 -8.483 7.412 1.00 0.00 C ATOM 0 H ALA A 100 2.305 -8.493 6.512 1.00 0.00 H new ATOM 0 HA ALA A 100 4.299 -6.422 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.743 -8.363 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.222 -8.409 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.433 -9.460 6.985 1.00 0.00 H new ATOM 1470 N LEU A 101 5.603 -6.445 4.880 1.00 0.00 N ATOM 1471 CA LEU A 101 6.301 -6.364 3.602 1.00 0.00 C ATOM 1472 C LEU A 101 7.784 -6.677 3.770 1.00 0.00 C ATOM 1473 O LEU A 101 8.567 -5.823 4.190 1.00 0.00 O ATOM 1474 CB LEU A 101 6.128 -4.972 2.992 1.00 0.00 C ATOM 1475 CG LEU A 101 7.036 -4.641 1.807 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.782 -5.601 0.655 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.826 -3.201 1.360 1.00 0.00 C ATOM 0 H LEU A 101 5.829 -5.694 5.532 1.00 0.00 H new ATOM 0 HA LEU A 101 5.866 -7.105 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.092 -4.864 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.299 -4.231 3.773 1.00 0.00 H new ATOM 0 HG LEU A 101 8.072 -4.754 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.437 -5.350 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.984 -6.621 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.743 -5.521 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.480 -2.983 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.788 -3.061 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.060 -2.527 2.184 1.00 0.00 H new ATOM 1489 N THR A 102 8.166 -7.906 3.438 1.00 0.00 N ATOM 1490 CA THR A 102 9.556 -8.332 3.551 1.00 0.00 C ATOM 1491 C THR A 102 10.326 -8.040 2.269 1.00 0.00 C ATOM 1492 O THR A 102 9.812 -8.233 1.167 1.00 0.00 O ATOM 1493 CB THR A 102 9.658 -9.836 3.868 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.000 -10.122 5.107 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.113 -10.274 3.948 1.00 0.00 C ATOM 0 H THR A 102 7.532 -8.625 3.088 1.00 0.00 H new ATOM 0 HA THR A 102 9.995 -7.765 4.372 1.00 0.00 H new ATOM 0 HB THR A 102 9.172 -10.388 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.068 -11.080 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.160 -11.340 4.173 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.604 -10.082 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.619 -9.714 4.735 1.00 0.00 H new ATOM 1503 N ILE A 103 11.562 -7.575 2.420 1.00 0.00 N ATOM 1504 CA ILE A 103 12.404 -7.259 1.273 1.00 0.00 C ATOM 1505 C ILE A 103 13.846 -7.693 1.513 1.00 0.00 C ATOM 1506 O ILE A 103 14.566 -7.080 2.300 1.00 0.00 O ATOM 1507 CB ILE A 103 12.380 -5.752 0.955 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.939 -5.273 0.764 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.210 -5.459 -0.286 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.812 -3.769 0.657 1.00 0.00 C ATOM 0 H ILE A 103 12.002 -7.409 3.325 1.00 0.00 H new ATOM 0 HA ILE A 103 11.998 -7.808 0.423 1.00 0.00 H new ATOM 0 HB ILE A 103 12.815 -5.211 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.529 -5.729 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.334 -5.622 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.183 -4.390 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.241 -5.769 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.801 -6.007 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.764 -3.501 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.191 -3.306 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.389 -3.415 -0.197 1.00 0.00 H new ATOM 1522 N GLN A 104 14.261 -8.754 0.828 1.00 0.00 N ATOM 1523 CA GLN A 104 15.618 -9.269 0.966 1.00 0.00 C ATOM 1524 C GLN A 104 16.559 -8.597 -0.027 1.00 0.00 C ATOM 1525 O GLN A 104 16.139 -8.166 -1.101 1.00 0.00 O ATOM 1526 CB GLN A 104 15.634 -10.785 0.756 1.00 0.00 C ATOM 1527 CG GLN A 104 14.744 -11.543 1.727 1.00 0.00 C ATOM 1528 CD GLN A 104 15.164 -12.989 1.897 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.279 -13.277 2.334 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.272 -13.910 1.552 1.00 0.00 N ATOM 0 H GLN A 104 13.677 -9.273 0.172 1.00 0.00 H new ATOM 0 HA GLN A 104 15.964 -9.045 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.316 -11.006 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.657 -11.147 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.765 -11.046 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.714 -11.507 1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.360 -13.627 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.499 -14.900 1.645 1.00 0.00 H new ATOM 1539 N GLU A 105 17.834 -8.509 0.339 1.00 0.00 N ATOM 1540 CA GLU A 105 18.835 -7.887 -0.520 1.00 0.00 C ATOM 1541 C GLU A 105 19.066 -8.721 -1.778 1.00 0.00 C ATOM 1542 O GLU A 105 18.719 -9.901 -1.825 1.00 0.00 O ATOM 1543 CB GLU A 105 20.152 -7.711 0.238 1.00 0.00 C ATOM 1544 CG GLU A 105 20.138 -6.554 1.221 1.00 0.00 C ATOM 1545 CD GLU A 105 21.235 -6.660 2.263 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.369 -6.220 1.978 1.00 0.00 O ATOM 1547 OE2 GLU A 105 20.960 -7.183 3.363 1.00 0.00 O ATOM 0 H GLU A 105 18.198 -8.861 1.225 1.00 0.00 H new ATOM 0 HA GLU A 105 18.463 -6.907 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.377 -8.632 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.957 -7.557 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.250 -5.617 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.170 -6.518 1.721 1.00 0.00 H new