USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 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 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 37 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.72) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.01! C(o=-4!,f=-4.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 72 HIS : no HE2:sc= -2.1 X(o=-2.1,f=-2.2) USER MOD Single : A 77 HIS :FLIP no HE2:sc= -0.52 F(o=-2,f=-0.52) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -2.45! C(o=-2.4!,f=-6.6!) USER MOD Single : A 82 GLN : amide:sc= 0.392 K(o=0.39,f=-0.12) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -104:sc= 0.458! USER MOD Single : A 92 CYS SG : rot 180:sc= -3.57! USER MOD Single : A 96 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.9!) USER MOD Single : A 98 SER OG : rot -170:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.936 -0.314 6.560 1.00 0.00 N ATOM 81 CA ALA A 9 -17.950 -1.632 5.939 1.00 0.00 C ATOM 82 C ALA A 9 -17.229 -2.657 6.808 1.00 0.00 C ATOM 83 O ALA A 9 -16.748 -2.335 7.894 1.00 0.00 O ATOM 84 CB ALA A 9 -17.316 -1.571 4.557 1.00 0.00 C ATOM 0 HA ALA A 9 -18.989 -1.947 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.333 -2.563 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.876 -0.877 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.284 -1.230 4.645 1.00 0.00 H new ATOM 90 N ARG A 10 -17.159 -3.893 6.323 1.00 0.00 N ATOM 91 CA ARG A 10 -16.498 -4.965 7.058 1.00 0.00 C ATOM 92 C ARG A 10 -15.356 -5.561 6.240 1.00 0.00 C ATOM 93 O ARG A 10 -15.181 -5.231 5.066 1.00 0.00 O ATOM 94 CB ARG A 10 -17.505 -6.058 7.420 1.00 0.00 C ATOM 95 CG ARG A 10 -17.179 -6.779 8.718 1.00 0.00 C ATOM 96 CD ARG A 10 -18.425 -7.382 9.349 1.00 0.00 C ATOM 97 NE ARG A 10 -19.068 -8.354 8.468 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.652 -9.608 8.331 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.601 -10.040 9.013 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.290 -10.434 7.510 1.00 0.00 N ATOM 0 H ARG A 10 -17.552 -4.176 5.425 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.084 -4.543 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.497 -5.614 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.546 -6.786 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.450 -7.566 8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.717 -6.082 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.158 -7.865 10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.131 -6.587 9.589 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.880 -8.053 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.109 -9.409 9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.284 -11.004 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.100 -10.106 6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.970 -11.397 7.405 1.00 0.00 H new ATOM 114 N LEU A 11 -14.582 -6.440 6.867 1.00 0.00 N ATOM 115 CA LEU A 11 -13.456 -7.082 6.198 1.00 0.00 C ATOM 116 C LEU A 11 -13.782 -8.532 5.855 1.00 0.00 C ATOM 117 O LEU A 11 -14.387 -9.249 6.653 1.00 0.00 O ATOM 118 CB LEU A 11 -12.210 -7.022 7.083 1.00 0.00 C ATOM 119 CG LEU A 11 -10.913 -7.529 6.451 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.554 -6.697 5.229 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.780 -7.504 7.466 1.00 0.00 C ATOM 0 H LEU A 11 -14.714 -6.724 7.838 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.261 -6.544 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.059 -5.988 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.402 -7.602 7.986 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.066 -8.560 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.628 -7.072 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.356 -6.766 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.420 -5.656 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.865 -7.868 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.627 -6.483 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.035 -8.143 8.311 1.00 0.00 H new ATOM 133 N VAL A 12 -13.374 -8.960 4.664 1.00 0.00 N ATOM 134 CA VAL A 12 -13.619 -10.326 4.217 1.00 0.00 C ATOM 135 C VAL A 12 -12.316 -11.024 3.845 1.00 0.00 C ATOM 136 O VAL A 12 -12.143 -12.215 4.102 1.00 0.00 O ATOM 137 CB VAL A 12 -14.570 -10.358 3.006 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.011 -10.528 3.463 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.412 -9.096 2.172 1.00 0.00 C ATOM 0 H VAL A 12 -12.872 -8.380 3.992 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.085 -10.853 5.049 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.309 -11.213 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.668 -10.548 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.110 -11.463 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.289 -9.695 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.091 -9.135 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.646 -8.224 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.385 -9.023 1.814 1.00 0.00 H new ATOM 149 N ALA A 13 -11.401 -10.274 3.239 1.00 0.00 N ATOM 150 CA ALA A 13 -10.112 -10.821 2.833 1.00 0.00 C ATOM 151 C ALA A 13 -8.971 -9.893 3.238 1.00 0.00 C ATOM 152 O ALA A 13 -8.436 -9.154 2.412 1.00 0.00 O ATOM 153 CB ALA A 13 -10.090 -11.063 1.332 1.00 0.00 C ATOM 0 H ALA A 13 -11.529 -9.286 3.019 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.971 -11.773 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.121 -11.471 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.876 -11.770 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.257 -10.121 0.809 1.00 0.00 H new ATOM 159 N GLY A 14 -8.603 -9.937 4.515 1.00 0.00 N ATOM 160 CA GLY A 14 -7.528 -9.095 5.006 1.00 0.00 C ATOM 161 C GLY A 14 -6.318 -9.108 4.094 1.00 0.00 C ATOM 162 O GLY A 14 -6.243 -9.909 3.161 1.00 0.00 O ATOM 0 H GLY A 14 -9.030 -10.540 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.890 -8.072 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.233 -9.431 6.000 1.00 0.00 H new ATOM 166 N LEU A 15 -5.367 -8.219 4.361 1.00 0.00 N ATOM 167 CA LEU A 15 -4.154 -8.131 3.556 1.00 0.00 C ATOM 168 C LEU A 15 -3.309 -9.392 3.704 1.00 0.00 C ATOM 169 O LEU A 15 -3.402 -10.099 4.707 1.00 0.00 O ATOM 170 CB LEU A 15 -3.336 -6.905 3.964 1.00 0.00 C ATOM 171 CG LEU A 15 -3.948 -5.545 3.624 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.524 -4.499 4.642 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.548 -5.118 2.219 1.00 0.00 C ATOM 0 H LEU A 15 -5.413 -7.549 5.129 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.448 -8.033 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.169 -6.947 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.358 -6.970 3.487 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.034 -5.637 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.969 -3.538 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.860 -4.800 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.438 -4.408 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.992 -4.148 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.462 -5.043 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.903 -5.856 1.500 1.00 0.00 H new ATOM 185 N GLU A 16 -2.484 -9.667 2.698 1.00 0.00 N ATOM 186 CA GLU A 16 -1.622 -10.843 2.718 1.00 0.00 C ATOM 187 C GLU A 16 -0.154 -10.443 2.602 1.00 0.00 C ATOM 188 O GLU A 16 0.227 -9.693 1.703 1.00 0.00 O ATOM 189 CB GLU A 16 -1.994 -11.794 1.579 1.00 0.00 C ATOM 190 CG GLU A 16 -3.437 -12.268 1.628 1.00 0.00 C ATOM 191 CD GLU A 16 -3.806 -13.139 0.443 1.00 0.00 C ATOM 192 OE1 GLU A 16 -2.971 -13.975 0.039 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.929 -12.985 -0.080 1.00 0.00 O ATOM 0 H GLU A 16 -2.395 -9.092 1.860 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.768 -11.353 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.817 -11.294 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.334 -12.661 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.601 -12.827 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.099 -11.402 1.658 1.00 0.00 H new ATOM 200 N ASP A 17 0.665 -10.948 3.518 1.00 0.00 N ATOM 201 CA ASP A 17 2.091 -10.645 3.519 1.00 0.00 C ATOM 202 C ASP A 17 2.692 -10.853 2.132 1.00 0.00 C ATOM 203 O ASP A 17 2.365 -11.817 1.441 1.00 0.00 O ATOM 204 CB ASP A 17 2.819 -11.519 4.541 1.00 0.00 C ATOM 205 CG ASP A 17 4.322 -11.319 4.509 1.00 0.00 C ATOM 206 OD1 ASP A 17 4.920 -11.486 3.425 1.00 0.00 O ATOM 207 OD2 ASP A 17 4.899 -10.993 5.567 1.00 0.00 O ATOM 0 H ASP A 17 0.365 -11.569 4.270 1.00 0.00 H new ATOM 0 HA ASP A 17 2.215 -9.598 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.446 -11.292 5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.591 -12.567 4.347 1.00 0.00 H new ATOM 212 N VAL A 18 3.573 -9.941 1.732 1.00 0.00 N ATOM 213 CA VAL A 18 4.220 -10.024 0.428 1.00 0.00 C ATOM 214 C VAL A 18 5.734 -9.896 0.556 1.00 0.00 C ATOM 215 O VAL A 18 6.239 -8.917 1.103 1.00 0.00 O ATOM 216 CB VAL A 18 3.703 -8.931 -0.526 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.510 -8.921 -1.815 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.223 -9.133 -0.816 1.00 0.00 C ATOM 0 H VAL A 18 3.855 -9.137 2.292 1.00 0.00 H new ATOM 0 HA VAL A 18 3.974 -11.002 0.015 1.00 0.00 H new ATOM 0 HB VAL A 18 3.826 -7.963 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.130 -8.142 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.558 -8.724 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.422 -9.890 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.875 -8.352 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.073 -10.108 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.660 -9.084 0.116 1.00 0.00 H new ATOM 228 N GLN A 19 6.451 -10.893 0.048 1.00 0.00 N ATOM 229 CA GLN A 19 7.908 -10.892 0.107 1.00 0.00 C ATOM 230 C GLN A 19 8.509 -10.958 -1.293 1.00 0.00 C ATOM 231 O GLN A 19 8.205 -11.865 -2.069 1.00 0.00 O ATOM 232 CB GLN A 19 8.407 -12.071 0.945 1.00 0.00 C ATOM 233 CG GLN A 19 8.580 -13.354 0.148 1.00 0.00 C ATOM 234 CD GLN A 19 8.796 -14.566 1.033 1.00 0.00 C ATOM 235 OE1 GLN A 19 7.841 -15.211 1.466 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.056 -14.882 1.306 1.00 0.00 N ATOM 0 H GLN A 19 6.047 -11.711 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 19 8.227 -9.961 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.361 -11.804 1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.705 -12.251 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.698 -13.514 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.429 -13.246 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.817 -14.319 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.263 -15.688 1.896 1.00 0.00 H new ATOM 245 N VAL A 20 9.364 -9.991 -1.611 1.00 0.00 N ATOM 246 CA VAL A 20 10.009 -9.940 -2.918 1.00 0.00 C ATOM 247 C VAL A 20 11.422 -9.379 -2.811 1.00 0.00 C ATOM 248 O VAL A 20 11.758 -8.694 -1.846 1.00 0.00 O ATOM 249 CB VAL A 20 9.201 -9.081 -3.909 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.800 -9.646 -4.086 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.146 -7.636 -3.439 1.00 0.00 C ATOM 0 H VAL A 20 9.626 -9.232 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 20 10.055 -10.964 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 20 9.702 -9.106 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.244 -9.026 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.864 -10.664 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.287 -9.653 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.571 -7.043 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.669 -7.590 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.158 -7.237 -3.369 1.00 0.00 H new ATOM 261 N TYR A 21 12.247 -9.675 -3.810 1.00 0.00 N ATOM 262 CA TYR A 21 13.626 -9.202 -3.829 1.00 0.00 C ATOM 263 C TYR A 21 13.690 -7.726 -4.208 1.00 0.00 C ATOM 264 O TYR A 21 12.758 -7.185 -4.803 1.00 0.00 O ATOM 265 CB TYR A 21 14.457 -10.029 -4.811 1.00 0.00 C ATOM 266 CG TYR A 21 14.883 -11.372 -4.262 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.940 -12.327 -3.901 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.227 -11.686 -4.105 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.324 -13.555 -3.399 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.620 -12.913 -3.605 1.00 0.00 C ATOM 271 CZ TYR A 21 15.665 -13.844 -3.253 1.00 0.00 C ATOM 272 OH TYR A 21 16.052 -15.066 -2.754 1.00 0.00 O ATOM 0 H TYR A 21 11.984 -10.240 -4.617 1.00 0.00 H new ATOM 0 HA TYR A 21 14.038 -9.319 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.879 -10.185 -5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.345 -9.462 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.889 -12.105 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.977 -10.959 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.578 -14.285 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.669 -13.142 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 21 17.030 -15.109 -2.716 1.00 0.00 H new ATOM 282 N ASP A 22 14.797 -7.080 -3.858 1.00 0.00 N ATOM 283 CA ASP A 22 14.986 -5.666 -4.162 1.00 0.00 C ATOM 284 C ASP A 22 14.777 -5.397 -5.649 1.00 0.00 C ATOM 285 O ASP A 22 15.057 -6.251 -6.490 1.00 0.00 O ATOM 286 CB ASP A 22 16.386 -5.215 -3.742 1.00 0.00 C ATOM 287 CG ASP A 22 16.764 -3.872 -4.336 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.469 -2.838 -3.700 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.355 -3.856 -5.435 1.00 0.00 O ATOM 0 H ASP A 22 15.577 -7.513 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 22 14.245 -5.097 -3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.434 -5.155 -2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.114 -5.964 -4.052 1.00 0.00 H new ATOM 294 N GLY A 23 14.281 -4.205 -5.966 1.00 0.00 N ATOM 295 CA GLY A 23 14.042 -3.846 -7.351 1.00 0.00 C ATOM 296 C GLY A 23 12.718 -4.374 -7.867 1.00 0.00 C ATOM 297 O GLY A 23 12.061 -3.729 -8.683 1.00 0.00 O ATOM 0 H GLY A 23 14.041 -3.482 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.060 -2.761 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.851 -4.236 -7.969 1.00 0.00 H new ATOM 301 N GLU A 24 12.326 -5.552 -7.390 1.00 0.00 N ATOM 302 CA GLU A 24 11.073 -6.167 -7.811 1.00 0.00 C ATOM 303 C GLU A 24 9.887 -5.265 -7.482 1.00 0.00 C ATOM 304 O GLU A 24 10.060 -4.137 -7.020 1.00 0.00 O ATOM 305 CB GLU A 24 10.895 -7.528 -7.135 1.00 0.00 C ATOM 306 CG GLU A 24 12.041 -8.491 -7.395 1.00 0.00 C ATOM 307 CD GLU A 24 12.403 -8.583 -8.865 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.544 -9.013 -9.662 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.547 -8.225 -9.216 1.00 0.00 O ATOM 0 H GLU A 24 12.858 -6.098 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 24 11.112 -6.308 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.793 -7.380 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.966 -7.979 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.915 -8.171 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.769 -9.481 -7.029 1.00 0.00 H new ATOM 316 N ASP A 25 8.682 -5.769 -7.724 1.00 0.00 N ATOM 317 CA ASP A 25 7.467 -5.010 -7.454 1.00 0.00 C ATOM 318 C ASP A 25 6.592 -5.731 -6.433 1.00 0.00 C ATOM 319 O ASP A 25 6.221 -6.889 -6.626 1.00 0.00 O ATOM 320 CB ASP A 25 6.682 -4.785 -8.747 1.00 0.00 C ATOM 321 CG ASP A 25 6.839 -5.931 -9.727 1.00 0.00 C ATOM 322 OD1 ASP A 25 7.884 -5.990 -10.408 1.00 0.00 O ATOM 323 OD2 ASP A 25 5.917 -6.769 -9.813 1.00 0.00 O ATOM 0 H ASP A 25 8.521 -6.701 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 25 7.756 -4.044 -7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.626 -4.656 -8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.018 -3.861 -9.217 1.00 0.00 H new ATOM 328 N ALA A 26 6.266 -5.039 -5.346 1.00 0.00 N ATOM 329 CA ALA A 26 5.435 -5.612 -4.295 1.00 0.00 C ATOM 330 C ALA A 26 4.026 -5.030 -4.331 1.00 0.00 C ATOM 331 O ALA A 26 3.837 -3.825 -4.163 1.00 0.00 O ATOM 332 CB ALA A 26 6.070 -5.379 -2.933 1.00 0.00 C ATOM 0 H ALA A 26 6.565 -4.080 -5.171 1.00 0.00 H new ATOM 0 HA ALA A 26 5.361 -6.685 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.438 -5.812 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.053 -5.849 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.175 -4.308 -2.759 1.00 0.00 H new ATOM 338 N VAL A 27 3.039 -5.892 -4.551 1.00 0.00 N ATOM 339 CA VAL A 27 1.647 -5.463 -4.609 1.00 0.00 C ATOM 340 C VAL A 27 0.797 -6.216 -3.591 1.00 0.00 C ATOM 341 O VAL A 27 1.035 -7.393 -3.317 1.00 0.00 O ATOM 342 CB VAL A 27 1.052 -5.673 -6.014 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.694 -6.874 -6.692 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.458 -5.841 -5.933 1.00 0.00 C ATOM 0 H VAL A 27 3.178 -6.893 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 27 1.634 -4.399 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 27 1.265 -4.789 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.261 -7.007 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.768 -6.709 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.514 -7.768 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.862 -5.988 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.695 -6.707 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.900 -4.948 -5.491 1.00 0.00 H new ATOM 354 N PHE A 28 -0.195 -5.531 -3.034 1.00 0.00 N ATOM 355 CA PHE A 28 -1.081 -6.134 -2.046 1.00 0.00 C ATOM 356 C PHE A 28 -2.531 -6.098 -2.521 1.00 0.00 C ATOM 357 O PHE A 28 -2.876 -5.354 -3.438 1.00 0.00 O ATOM 358 CB PHE A 28 -0.954 -5.409 -0.704 1.00 0.00 C ATOM 359 CG PHE A 28 0.357 -5.652 -0.014 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.474 -4.895 -0.331 1.00 0.00 C ATOM 361 CD2 PHE A 28 0.474 -6.637 0.954 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.681 -5.117 0.302 1.00 0.00 C ATOM 363 CE2 PHE A 28 1.679 -6.864 1.592 1.00 0.00 C ATOM 364 CZ PHE A 28 2.784 -6.102 1.266 1.00 0.00 C ATOM 0 H PHE A 28 -0.406 -4.557 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.785 -7.175 -1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.078 -4.338 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.765 -5.728 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.399 -4.122 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.387 -7.235 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.544 -4.521 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.756 -7.636 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.727 -6.276 1.763 1.00 0.00 H new ATOM 374 N SER A 29 -3.375 -6.909 -1.889 1.00 0.00 N ATOM 375 CA SER A 29 -4.786 -6.973 -2.249 1.00 0.00 C ATOM 376 C SER A 29 -5.638 -7.353 -1.042 1.00 0.00 C ATOM 377 O SER A 29 -5.196 -8.096 -0.164 1.00 0.00 O ATOM 378 CB SER A 29 -5.001 -7.984 -3.377 1.00 0.00 C ATOM 379 OG SER A 29 -4.831 -9.312 -2.912 1.00 0.00 O ATOM 0 H SER A 29 -3.106 -7.530 -1.126 1.00 0.00 H new ATOM 0 HA SER A 29 -5.093 -5.985 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.003 -7.865 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.298 -7.786 -4.186 1.00 0.00 H new ATOM 0 HG SER A 29 -4.975 -9.939 -3.652 1.00 0.00 H new ATOM 385 N LEU A 30 -6.862 -6.839 -1.004 1.00 0.00 N ATOM 386 CA LEU A 30 -7.778 -7.123 0.095 1.00 0.00 C ATOM 387 C LEU A 30 -9.228 -6.951 -0.346 1.00 0.00 C ATOM 388 O LEU A 30 -9.521 -6.184 -1.263 1.00 0.00 O ATOM 389 CB LEU A 30 -7.481 -6.206 1.282 1.00 0.00 C ATOM 390 CG LEU A 30 -7.844 -4.731 1.099 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.279 -4.476 1.534 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.883 -3.845 1.877 1.00 0.00 C ATOM 0 H LEU A 30 -7.243 -6.223 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.631 -8.159 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.017 -6.586 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.417 -6.272 1.509 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.758 -4.484 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.519 -3.422 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.955 -5.083 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.393 -4.740 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.156 -2.799 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.936 -4.093 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.867 -4.006 1.517 1.00 0.00 H new ATOM 404 N ASP A 31 -10.131 -7.667 0.315 1.00 0.00 N ATOM 405 CA ASP A 31 -11.551 -7.591 -0.006 1.00 0.00 C ATOM 406 C ASP A 31 -12.338 -6.980 1.149 1.00 0.00 C ATOM 407 O ASP A 31 -11.899 -7.014 2.300 1.00 0.00 O ATOM 408 CB ASP A 31 -12.098 -8.982 -0.332 1.00 0.00 C ATOM 409 CG ASP A 31 -11.332 -9.656 -1.454 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.101 -9.815 -1.319 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.964 -10.024 -2.466 1.00 0.00 O ATOM 0 H ASP A 31 -9.905 -8.307 1.077 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.666 -6.950 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.053 -9.606 0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.149 -8.900 -0.611 1.00 0.00 H new ATOM 416 N LEU A 32 -13.501 -6.420 0.836 1.00 0.00 N ATOM 417 CA LEU A 32 -14.349 -5.800 1.848 1.00 0.00 C ATOM 418 C LEU A 32 -15.799 -6.249 1.693 1.00 0.00 C ATOM 419 O LEU A 32 -16.143 -6.953 0.744 1.00 0.00 O ATOM 420 CB LEU A 32 -14.262 -4.276 1.750 1.00 0.00 C ATOM 421 CG LEU A 32 -12.852 -3.685 1.714 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.900 -2.213 1.336 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.162 -3.871 3.057 1.00 0.00 C ATOM 0 H LEU A 32 -13.879 -6.382 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.993 -6.116 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.790 -3.959 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.793 -3.846 2.600 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.275 -4.215 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.888 -1.809 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.354 -2.105 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.493 -1.668 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.160 -3.445 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.737 -3.368 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.094 -4.934 3.287 1.00 0.00 H new ATOM 435 N SER A 33 -16.644 -5.836 2.632 1.00 0.00 N ATOM 436 CA SER A 33 -18.057 -6.197 2.601 1.00 0.00 C ATOM 437 C SER A 33 -18.820 -5.320 1.612 1.00 0.00 C ATOM 438 O SER A 33 -19.763 -5.772 0.962 1.00 0.00 O ATOM 439 CB SER A 33 -18.670 -6.064 3.996 1.00 0.00 C ATOM 440 OG SER A 33 -19.984 -6.593 4.028 1.00 0.00 O ATOM 0 H SER A 33 -16.375 -5.251 3.423 1.00 0.00 H new ATOM 0 HA SER A 33 -18.135 -7.234 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.047 -6.586 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.690 -5.014 4.289 1.00 0.00 H new ATOM 0 HG SER A 33 -20.353 -6.497 4.931 1.00 0.00 H new ATOM 446 N THR A 34 -18.405 -4.061 1.505 1.00 0.00 N ATOM 447 CA THR A 34 -19.049 -3.120 0.598 1.00 0.00 C ATOM 448 C THR A 34 -18.137 -1.936 0.296 1.00 0.00 C ATOM 449 O THR A 34 -17.046 -1.822 0.857 1.00 0.00 O ATOM 450 CB THR A 34 -20.375 -2.596 1.180 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.093 -1.861 0.182 1.00 0.00 O ATOM 452 CG2 THR A 34 -20.122 -1.706 2.388 1.00 0.00 C ATOM 0 H THR A 34 -17.626 -3.670 2.035 1.00 0.00 H new ATOM 0 HA THR A 34 -19.255 -3.662 -0.325 1.00 0.00 H new ATOM 0 HB THR A 34 -20.970 -3.453 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.936 -1.533 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.073 -1.348 2.782 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.602 -2.276 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.509 -0.855 2.091 1.00 0.00 H new ATOM 460 N ILE A 35 -18.590 -1.057 -0.591 1.00 0.00 N ATOM 461 CA ILE A 35 -17.815 0.120 -0.965 1.00 0.00 C ATOM 462 C ILE A 35 -17.458 0.955 0.260 1.00 0.00 C ATOM 463 O ILE A 35 -18.231 1.035 1.216 1.00 0.00 O ATOM 464 CB ILE A 35 -18.580 1.002 -1.969 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.013 0.175 -3.181 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.718 2.178 -2.404 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.375 -0.463 -3.021 1.00 0.00 C ATOM 0 H ILE A 35 -19.490 -1.137 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.900 -0.241 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.473 1.392 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -19.022 0.815 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.274 -0.606 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.272 2.792 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.455 2.778 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.809 1.807 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.617 -1.034 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.366 -1.129 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -21.125 0.313 -2.872 1.00 0.00 H new ATOM 479 N ILE A 36 -16.285 1.577 0.224 1.00 0.00 N ATOM 480 CA ILE A 36 -15.827 2.409 1.330 1.00 0.00 C ATOM 481 C ILE A 36 -14.525 3.121 0.980 1.00 0.00 C ATOM 482 O ILE A 36 -13.689 2.584 0.253 1.00 0.00 O ATOM 483 CB ILE A 36 -15.617 1.578 2.610 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.281 2.494 3.789 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.515 0.551 2.400 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.278 1.783 5.124 1.00 0.00 C ATOM 0 H ILE A 36 -15.634 1.521 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.606 3.150 1.511 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.542 1.048 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.301 2.942 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.003 3.310 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.379 -0.028 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.791 -0.117 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.584 1.061 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.032 2.493 5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.264 1.358 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.536 0.985 5.110 1.00 0.00 H new ATOM 498 N GLN A 37 -14.359 4.331 1.504 1.00 0.00 N ATOM 499 CA GLN A 37 -13.158 5.116 1.247 1.00 0.00 C ATOM 500 C GLN A 37 -12.178 5.007 2.411 1.00 0.00 C ATOM 501 O GLN A 37 -12.439 5.506 3.504 1.00 0.00 O ATOM 502 CB GLN A 37 -13.522 6.582 1.008 1.00 0.00 C ATOM 503 CG GLN A 37 -12.322 7.467 0.714 1.00 0.00 C ATOM 504 CD GLN A 37 -11.717 8.065 1.969 1.00 0.00 C ATOM 505 OE1 GLN A 37 -12.393 8.760 2.728 1.00 0.00 O ATOM 506 NE2 GLN A 37 -10.436 7.798 2.194 1.00 0.00 N ATOM 0 H GLN A 37 -15.041 4.789 2.109 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.679 4.718 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.221 6.643 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.040 6.967 1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.564 6.883 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.624 8.271 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.913 7.217 1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.975 8.174 3.022 1.00 0.00 H new ATOM 515 N GLY A 38 -11.048 4.350 2.167 1.00 0.00 N ATOM 516 CA GLY A 38 -10.046 4.187 3.204 1.00 0.00 C ATOM 517 C GLY A 38 -8.714 4.803 2.826 1.00 0.00 C ATOM 518 O GLY A 38 -8.617 5.534 1.840 1.00 0.00 O ATOM 0 H GLY A 38 -10.809 3.928 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.405 4.643 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.907 3.125 3.407 1.00 0.00 H new ATOM 522 N THR A 39 -7.683 4.511 3.613 1.00 0.00 N ATOM 523 CA THR A 39 -6.351 5.044 3.357 1.00 0.00 C ATOM 524 C THR A 39 -5.280 3.985 3.596 1.00 0.00 C ATOM 525 O THR A 39 -5.405 3.155 4.497 1.00 0.00 O ATOM 526 CB THR A 39 -6.055 6.267 4.245 1.00 0.00 C ATOM 527 OG1 THR A 39 -6.849 7.382 3.824 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.581 6.636 4.185 1.00 0.00 C ATOM 0 H THR A 39 -7.745 3.908 4.433 1.00 0.00 H new ATOM 0 HA THR A 39 -6.329 5.350 2.311 1.00 0.00 H new ATOM 0 HB THR A 39 -6.307 6.010 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.656 8.155 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.397 7.502 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.981 5.796 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.307 6.875 3.157 1.00 0.00 H new ATOM 536 N TRP A 40 -4.228 4.021 2.786 1.00 0.00 N ATOM 537 CA TRP A 40 -3.135 3.064 2.911 1.00 0.00 C ATOM 538 C TRP A 40 -2.055 3.591 3.850 1.00 0.00 C ATOM 539 O TRP A 40 -2.008 4.785 4.149 1.00 0.00 O ATOM 540 CB TRP A 40 -2.532 2.765 1.537 1.00 0.00 C ATOM 541 CG TRP A 40 -3.370 1.837 0.710 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.317 2.188 -0.208 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.336 0.406 0.729 1.00 0.00 C ATOM 544 NE1 TRP A 40 -4.875 1.060 -0.762 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.289 -0.045 -0.204 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.591 -0.538 1.442 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.516 -1.399 -0.441 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.818 -1.881 1.206 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.773 -2.301 0.271 1.00 0.00 C ATOM 0 H TRP A 40 -4.109 4.702 2.036 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.538 2.143 3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.397 3.701 0.996 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.542 2.328 1.670 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.588 3.202 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.606 1.048 -1.473 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.852 -0.224 2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.252 -1.725 -1.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.249 -2.619 1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.926 -3.358 0.109 1.00 0.00 H new ATOM 560 N PHE A 41 -1.189 2.695 4.311 1.00 0.00 N ATOM 561 CA PHE A 41 -0.110 3.071 5.217 1.00 0.00 C ATOM 562 C PHE A 41 1.153 2.266 4.922 1.00 0.00 C ATOM 563 O PHE A 41 1.083 1.121 4.473 1.00 0.00 O ATOM 564 CB PHE A 41 -0.537 2.855 6.670 1.00 0.00 C ATOM 565 CG PHE A 41 -1.364 3.980 7.225 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.671 4.168 6.806 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.834 4.848 8.166 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.433 5.203 7.315 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.591 5.884 8.678 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.893 6.061 8.253 1.00 0.00 C ATOM 0 H PHE A 41 -1.213 1.704 4.072 1.00 0.00 H new ATOM 0 HA PHE A 41 0.109 4.128 5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.106 1.928 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.353 2.730 7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.099 3.499 6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.183 4.713 8.503 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.450 5.341 6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.165 6.555 9.410 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.488 6.869 8.653 1.00 0.00 H new ATOM 580 N LEU A 42 2.307 2.874 5.175 1.00 0.00 N ATOM 581 CA LEU A 42 3.587 2.216 4.937 1.00 0.00 C ATOM 582 C LEU A 42 4.594 2.573 6.024 1.00 0.00 C ATOM 583 O LEU A 42 5.120 3.685 6.056 1.00 0.00 O ATOM 584 CB LEU A 42 4.138 2.611 3.565 1.00 0.00 C ATOM 585 CG LEU A 42 5.214 1.693 2.985 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.598 0.389 2.499 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.955 2.389 1.852 1.00 0.00 C ATOM 0 H LEU A 42 2.382 3.822 5.545 1.00 0.00 H new ATOM 0 HA LEU A 42 3.423 1.139 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.307 2.654 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.548 3.618 3.637 1.00 0.00 H new ATOM 0 HG LEU A 42 5.930 1.462 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.379 -0.252 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.113 -0.118 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.860 0.601 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.717 1.721 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.250 2.650 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.429 3.295 2.230 1.00 0.00 H new ATOM 599 N ASN A 43 4.860 1.622 6.914 1.00 0.00 N ATOM 600 CA ASN A 43 5.806 1.836 8.003 1.00 0.00 C ATOM 601 C ASN A 43 5.198 2.724 9.085 1.00 0.00 C ATOM 602 O ASN A 43 5.894 3.523 9.710 1.00 0.00 O ATOM 603 CB ASN A 43 7.093 2.470 7.471 1.00 0.00 C ATOM 604 CG ASN A 43 7.394 2.055 6.044 1.00 0.00 C ATOM 605 OD1 ASN A 43 7.192 2.826 5.105 1.00 0.00 O ATOM 606 ND2 ASN A 43 7.881 0.831 5.874 1.00 0.00 N ATOM 0 H ASN A 43 4.433 0.696 6.902 1.00 0.00 H new ATOM 0 HA ASN A 43 6.041 0.867 8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.008 3.556 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.927 2.186 8.113 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.103 0.496 4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.033 0.226 6.681 1.00 0.00 H new ATOM 613 N GLY A 44 3.894 2.577 9.300 1.00 0.00 N ATOM 614 CA GLY A 44 3.214 3.371 10.306 1.00 0.00 C ATOM 615 C GLY A 44 2.888 4.769 9.819 1.00 0.00 C ATOM 616 O GLY A 44 2.344 5.582 10.566 1.00 0.00 O ATOM 0 H GLY A 44 3.297 1.922 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.293 2.868 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.839 3.436 11.196 1.00 0.00 H new ATOM 620 N GLU A 45 3.224 5.050 8.564 1.00 0.00 N ATOM 621 CA GLU A 45 2.965 6.361 7.980 1.00 0.00 C ATOM 622 C GLU A 45 1.832 6.289 6.961 1.00 0.00 C ATOM 623 O GLU A 45 1.599 5.247 6.350 1.00 0.00 O ATOM 624 CB GLU A 45 4.230 6.906 7.314 1.00 0.00 C ATOM 625 CG GLU A 45 3.954 7.751 6.081 1.00 0.00 C ATOM 626 CD GLU A 45 5.119 8.649 5.717 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.227 8.122 5.488 1.00 0.00 O ATOM 628 OE2 GLU A 45 4.922 9.882 5.660 1.00 0.00 O ATOM 0 H GLU A 45 3.676 4.388 7.933 1.00 0.00 H new ATOM 0 HA GLU A 45 2.666 7.035 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.782 7.505 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.872 6.071 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.728 7.096 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.069 8.363 6.255 1.00 0.00 H new ATOM 635 N GLU A 46 1.129 7.404 6.786 1.00 0.00 N ATOM 636 CA GLU A 46 0.019 7.466 5.842 1.00 0.00 C ATOM 637 C GLU A 46 0.504 7.893 4.460 1.00 0.00 C ATOM 638 O GLU A 46 1.251 8.863 4.323 1.00 0.00 O ATOM 639 CB GLU A 46 -1.050 8.439 6.343 1.00 0.00 C ATOM 640 CG GLU A 46 -2.148 8.711 5.328 1.00 0.00 C ATOM 641 CD GLU A 46 -2.753 10.094 5.480 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.432 10.335 6.500 1.00 0.00 O ATOM 643 OE2 GLU A 46 -2.548 10.934 4.579 1.00 0.00 O ATOM 0 H GLU A 46 1.308 8.275 7.285 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.415 6.469 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.498 8.037 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.574 9.382 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.742 8.604 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.932 7.962 5.437 1.00 0.00 H new ATOM 650 N LEU A 47 0.074 7.161 3.437 1.00 0.00 N ATOM 651 CA LEU A 47 0.464 7.462 2.064 1.00 0.00 C ATOM 652 C LEU A 47 -0.446 8.528 1.461 1.00 0.00 C ATOM 653 O LEU A 47 -1.668 8.470 1.604 1.00 0.00 O ATOM 654 CB LEU A 47 0.418 6.194 1.210 1.00 0.00 C ATOM 655 CG LEU A 47 1.585 5.222 1.389 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.318 3.924 0.643 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.884 5.856 0.912 1.00 0.00 C ATOM 0 H LEU A 47 -0.544 6.355 3.533 1.00 0.00 H new ATOM 0 HA LEU A 47 1.484 7.846 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.508 5.664 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.373 6.488 0.161 1.00 0.00 H new ATOM 0 HG LEU A 47 1.683 4.993 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.159 3.245 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.410 3.462 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.193 4.134 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.704 5.151 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.797 6.114 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.083 6.758 1.491 1.00 0.00 H new ATOM 910 N ARG A 64 1.001 2.579 -7.476 1.00 0.00 N ATOM 911 CA ARG A 64 -0.397 2.681 -7.877 1.00 0.00 C ATOM 912 C ARG A 64 -1.323 2.303 -6.724 1.00 0.00 C ATOM 913 O ARG A 64 -1.070 1.337 -6.004 1.00 0.00 O ATOM 914 CB ARG A 64 -0.671 1.778 -9.082 1.00 0.00 C ATOM 915 CG ARG A 64 -2.013 2.039 -9.745 1.00 0.00 C ATOM 916 CD ARG A 64 -2.232 1.122 -10.939 1.00 0.00 C ATOM 917 NE ARG A 64 -1.316 1.424 -12.036 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.007 0.559 -12.995 1.00 0.00 C ATOM 919 NH1 ARG A 64 -1.537 -0.657 -12.992 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.166 0.908 -13.960 1.00 0.00 N ATOM 0 HA ARG A 64 -0.595 3.716 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.121 1.917 -9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.630 0.737 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.813 1.891 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.064 3.079 -10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.098 0.086 -10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.260 1.220 -11.288 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.890 2.350 -12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.184 -0.930 -12.252 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.298 -1.319 -13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.244 1.842 -13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.070 0.242 -14.696 1.00 0.00 H new ATOM 934 N ILE A 65 -2.394 3.071 -6.556 1.00 0.00 N ATOM 935 CA ILE A 65 -3.357 2.816 -5.492 1.00 0.00 C ATOM 936 C ILE A 65 -4.760 2.621 -6.055 1.00 0.00 C ATOM 937 O ILE A 65 -5.460 3.588 -6.351 1.00 0.00 O ATOM 938 CB ILE A 65 -3.382 3.966 -4.468 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.023 4.093 -3.777 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.484 3.740 -3.445 1.00 0.00 C ATOM 941 CD1 ILE A 65 -1.911 5.307 -2.882 1.00 0.00 C ATOM 0 H ILE A 65 -2.617 3.875 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.039 1.901 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.588 4.898 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.841 3.197 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.242 4.138 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.489 4.561 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.448 3.695 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.306 2.801 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.922 5.332 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.061 6.210 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.670 5.255 -2.101 1.00 0.00 H new ATOM 953 N GLU A 66 -5.165 1.363 -6.199 1.00 0.00 N ATOM 954 CA GLU A 66 -6.486 1.041 -6.726 1.00 0.00 C ATOM 955 C GLU A 66 -7.507 0.920 -5.598 1.00 0.00 C ATOM 956 O GLU A 66 -7.325 0.140 -4.664 1.00 0.00 O ATOM 957 CB GLU A 66 -6.437 -0.262 -7.526 1.00 0.00 C ATOM 958 CG GLU A 66 -6.126 -0.060 -9.000 1.00 0.00 C ATOM 959 CD GLU A 66 -7.124 0.851 -9.687 1.00 0.00 C ATOM 960 OE1 GLU A 66 -8.169 0.345 -10.148 1.00 0.00 O ATOM 961 OE2 GLU A 66 -6.862 2.069 -9.763 1.00 0.00 O ATOM 0 H GLU A 66 -4.597 0.550 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.793 1.852 -7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.683 -0.918 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.396 -0.772 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.126 0.361 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.118 -1.028 -9.502 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.400 -2.742 -2.701 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.798 -3.625 -1.708 1.00 0.00 C ATOM 1016 C LEU A 70 -13.588 -4.351 -2.286 1.00 0.00 C ATOM 1017 O LEU A 70 -13.373 -5.532 -2.015 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.827 -4.641 -1.209 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.822 -5.154 -2.250 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.283 -6.561 -1.900 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.013 -4.213 -2.358 1.00 0.00 C ATOM 0 HA LEU A 70 -14.464 -3.014 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.293 -5.496 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.388 -4.188 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.321 -5.188 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.991 -6.910 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.423 -7.230 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.766 -6.553 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.711 -4.594 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.514 -4.148 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.668 -3.223 -2.656 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.800 -3.636 -3.083 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.611 -4.213 -3.698 1.00 0.00 C ATOM 1035 C GLN A 71 -10.477 -3.194 -3.752 1.00 0.00 C ATOM 1036 O GLN A 71 -10.518 -2.245 -4.535 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.931 -4.712 -5.109 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.939 -5.739 -5.630 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.389 -6.375 -6.931 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.157 -5.785 -7.691 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.911 -7.586 -7.194 1.00 0.00 N ATOM 0 H GLN A 71 -12.964 -2.657 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.289 -5.056 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.930 -5.149 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.952 -3.861 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.971 -5.261 -5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.798 -6.516 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.277 -8.038 -6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.178 -8.064 -8.055 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.465 -3.397 -2.913 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.320 -2.496 -2.866 1.00 0.00 C ATOM 1052 C HIS A 72 -7.025 -3.247 -3.162 1.00 0.00 C ATOM 1053 O HIS A 72 -6.836 -4.378 -2.715 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.230 -1.823 -1.495 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.460 -1.052 -1.126 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.435 0.283 -0.778 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.756 -1.434 -1.052 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.663 0.687 -0.505 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.483 -0.336 -0.664 1.00 0.00 N ATOM 0 H HIS A 72 -9.416 -4.177 -2.258 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.459 -1.731 -3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.047 -2.584 -0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.372 -1.150 -1.485 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.599 0.867 -0.738 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.146 -2.420 -1.260 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.948 1.684 -0.203 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.138 -2.610 -3.920 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.862 -3.219 -4.277 1.00 0.00 C ATOM 1069 C ARG A 73 -3.792 -2.153 -4.491 1.00 0.00 C ATOM 1070 O ARG A 73 -3.935 -1.276 -5.344 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.014 -4.065 -5.543 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.699 -4.619 -6.067 1.00 0.00 C ATOM 1073 CD ARG A 73 -3.770 -4.906 -7.558 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.989 -3.692 -8.340 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.866 -3.636 -9.661 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -3.527 -4.720 -10.345 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -4.082 -2.494 -10.301 1.00 0.00 N ATOM 0 H ARG A 73 -6.279 -1.673 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.551 -3.861 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.691 -4.894 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.479 -3.459 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.898 -3.906 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.449 -5.534 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.844 -5.382 -7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.576 -5.613 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.251 -2.840 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.360 -5.600 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.433 -4.674 -11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.343 -1.658 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.987 -2.452 -11.316 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.720 -2.234 -3.711 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.625 -1.276 -3.814 1.00 0.00 C ATOM 1093 C LEU A 74 -0.371 -1.939 -4.376 1.00 0.00 C ATOM 1094 O LEU A 74 0.166 -2.875 -3.783 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.322 -0.667 -2.443 1.00 0.00 C ATOM 1096 CG LEU A 74 0.081 -0.089 -2.261 1.00 0.00 C ATOM 1097 CD1 LEU A 74 0.292 1.102 -3.182 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.309 0.311 -0.810 1.00 0.00 C ATOM 0 H LEU A 74 -2.586 -2.953 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.932 -0.484 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.047 0.124 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.479 -1.434 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 74 0.806 -0.859 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.297 1.500 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.172 0.786 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.441 1.875 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.313 0.720 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.424 1.064 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.201 -0.565 -0.170 1.00 0.00 H new ATOM 1110 N ILE A 75 0.090 -1.447 -5.521 1.00 0.00 N ATOM 1111 CA ILE A 75 1.282 -1.991 -6.160 1.00 0.00 C ATOM 1112 C ILE A 75 2.493 -1.096 -5.916 1.00 0.00 C ATOM 1113 O ILE A 75 2.402 0.129 -6.007 1.00 0.00 O ATOM 1114 CB ILE A 75 1.079 -2.159 -7.678 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.180 -2.982 -7.958 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.299 -2.817 -8.305 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.428 -2.142 -8.117 1.00 0.00 C ATOM 0 H ILE A 75 -0.343 -0.673 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 75 1.461 -2.970 -5.715 1.00 0.00 H new ATOM 0 HB ILE A 75 0.952 -1.173 -8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.028 -3.567 -8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.330 -3.690 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.141 -2.929 -9.378 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.177 -2.196 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.454 -3.798 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.281 -2.791 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.605 -1.577 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.298 -1.452 -8.950 1.00 0.00 H new ATOM 1129 N LEU A 76 3.626 -1.717 -5.608 1.00 0.00 N ATOM 1130 CA LEU A 76 4.858 -0.977 -5.353 1.00 0.00 C ATOM 1131 C LEU A 76 5.975 -1.443 -6.281 1.00 0.00 C ATOM 1132 O LEU A 76 6.614 -2.467 -6.036 1.00 0.00 O ATOM 1133 CB LEU A 76 5.286 -1.150 -3.894 1.00 0.00 C ATOM 1134 CG LEU A 76 4.259 -0.736 -2.840 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.621 -1.323 -1.484 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.159 0.780 -2.757 1.00 0.00 C ATOM 0 H LEU A 76 3.718 -2.730 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 76 4.666 0.078 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.540 -2.198 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.196 -0.572 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 76 3.286 -1.128 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.879 -1.018 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.640 -2.411 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.604 -0.961 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.423 1.055 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.130 1.194 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.852 1.178 -3.724 1.00 0.00 H new ATOM 1148 N HIS A 77 6.206 -0.683 -7.347 1.00 0.00 N ATOM 1149 CA HIS A 77 7.249 -1.016 -8.311 1.00 0.00 C ATOM 1150 C HIS A 77 8.605 -0.494 -7.847 1.00 0.00 C ATOM 1151 O HIS A 77 8.744 0.678 -7.499 1.00 0.00 O ATOM 1152 CB HIS A 77 6.908 -0.435 -9.684 1.00 0.00 C ATOM 1153 CG HIS A 77 5.436 -0.337 -9.945 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.577 0.698 -9.795 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.684 -1.392 -10.417 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.335 0.255 -10.176 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.427 -1.010 -10.548 1.00 0.00 N flip ATOM 0 H HIS A 77 5.686 0.167 -7.565 1.00 0.00 H new ATOM 0 HA HIS A 77 7.305 -2.102 -8.388 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.351 0.557 -9.769 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.365 -1.055 -10.455 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.809 1.633 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.064 -2.377 -10.644 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.430 0.844 -10.172 1.00 0.00 H new ATOM 1166 N ALA A 78 9.602 -1.373 -7.844 1.00 0.00 N ATOM 1167 CA ALA A 78 10.947 -1.001 -7.424 1.00 0.00 C ATOM 1168 C ALA A 78 11.030 -0.862 -5.908 1.00 0.00 C ATOM 1169 O ALA A 78 11.440 0.177 -5.390 1.00 0.00 O ATOM 1170 CB ALA A 78 11.371 0.296 -8.098 1.00 0.00 C ATOM 0 H ALA A 78 9.503 -2.348 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 78 11.628 -1.796 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.378 0.562 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.360 0.164 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.679 1.092 -7.822 1.00 0.00 H new ATOM 1176 N VAL A 79 10.638 -1.917 -5.200 1.00 0.00 N ATOM 1177 CA VAL A 79 10.668 -1.913 -3.742 1.00 0.00 C ATOM 1178 C VAL A 79 12.095 -2.047 -3.222 1.00 0.00 C ATOM 1179 O VAL A 79 12.779 -3.034 -3.498 1.00 0.00 O ATOM 1180 CB VAL A 79 9.812 -3.053 -3.160 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.403 -3.008 -3.731 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.463 -4.400 -3.431 1.00 0.00 C ATOM 0 H VAL A 79 10.296 -2.785 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 79 10.255 -0.957 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 79 9.745 -2.919 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.813 -3.821 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.939 -2.054 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.446 -3.116 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.844 -5.194 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.563 -4.546 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.450 -4.427 -2.968 1.00 0.00 H new ATOM 1192 N LYS A 80 12.540 -1.049 -2.466 1.00 0.00 N ATOM 1193 CA LYS A 80 13.885 -1.055 -1.904 1.00 0.00 C ATOM 1194 C LYS A 80 13.949 -1.928 -0.654 1.00 0.00 C ATOM 1195 O LYS A 80 13.008 -1.963 0.139 1.00 0.00 O ATOM 1196 CB LYS A 80 14.325 0.371 -1.566 1.00 0.00 C ATOM 1197 CG LYS A 80 14.447 1.274 -2.781 1.00 0.00 C ATOM 1198 CD LYS A 80 13.089 1.783 -3.236 1.00 0.00 C ATOM 1199 CE LYS A 80 13.226 2.847 -4.315 1.00 0.00 C ATOM 1200 NZ LYS A 80 11.943 3.565 -4.550 1.00 0.00 N ATOM 0 H LYS A 80 11.988 -0.225 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 80 14.562 -1.470 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.609 0.808 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.286 0.334 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.093 2.120 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.923 0.728 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.496 0.951 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.549 2.195 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.995 3.563 -4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.558 2.382 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.077 4.282 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.215 2.886 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.639 4.030 -3.671 1.00 0.00 H new ATOM 1214 N HIS A 81 15.066 -2.629 -0.484 1.00 0.00 N ATOM 1215 CA HIS A 81 15.253 -3.500 0.671 1.00 0.00 C ATOM 1216 C HIS A 81 15.317 -2.686 1.960 1.00 0.00 C ATOM 1217 O HIS A 81 14.787 -3.098 2.992 1.00 0.00 O ATOM 1218 CB HIS A 81 16.529 -4.326 0.512 1.00 0.00 C ATOM 1219 CG HIS A 81 17.057 -4.869 1.805 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.623 -6.056 2.355 1.00 0.00 N ATOM 1221 CD2 HIS A 81 17.988 -4.379 2.656 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.265 -6.273 3.489 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.099 -5.270 3.695 1.00 0.00 N ATOM 0 H HIS A 81 15.854 -2.611 -1.131 1.00 0.00 H new ATOM 0 HA HIS A 81 14.398 -4.174 0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.333 -5.155 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.297 -3.708 0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.917 -6.671 1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.541 -3.459 2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.131 -7.126 4.138 1.00 0.00 H new ATOM 1232 N GLN A 82 15.970 -1.530 1.893 1.00 0.00 N ATOM 1233 CA GLN A 82 16.104 -0.660 3.056 1.00 0.00 C ATOM 1234 C GLN A 82 14.790 -0.573 3.825 1.00 0.00 C ATOM 1235 O GLN A 82 14.782 -0.346 5.035 1.00 0.00 O ATOM 1236 CB GLN A 82 16.551 0.737 2.624 1.00 0.00 C ATOM 1237 CG GLN A 82 15.530 1.464 1.764 1.00 0.00 C ATOM 1238 CD GLN A 82 15.775 2.959 1.704 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.919 3.413 1.723 1.00 0.00 O ATOM 1240 NE2 GLN A 82 14.699 3.733 1.632 1.00 0.00 N ATOM 0 H GLN A 82 16.414 -1.174 1.046 1.00 0.00 H new ATOM 0 HA GLN A 82 16.860 -1.088 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.757 1.334 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.487 0.655 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.555 1.055 0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.531 1.279 2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.769 3.314 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.802 4.747 1.590 1.00 0.00 H new ATOM 1249 N ASP A 83 13.682 -0.753 3.115 1.00 0.00 N ATOM 1250 CA ASP A 83 12.362 -0.695 3.730 1.00 0.00 C ATOM 1251 C ASP A 83 11.847 -2.096 4.045 1.00 0.00 C ATOM 1252 O ASP A 83 10.644 -2.353 3.990 1.00 0.00 O ATOM 1253 CB ASP A 83 11.377 0.029 2.810 1.00 0.00 C ATOM 1254 CG ASP A 83 11.700 1.503 2.662 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.362 2.279 3.581 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.289 1.881 1.628 1.00 0.00 O ATOM 0 H ASP A 83 13.672 -0.940 2.112 1.00 0.00 H new ATOM 0 HA ASP A 83 12.449 -0.140 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.388 -0.443 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.367 -0.081 3.205 1.00 0.00 H new ATOM 1261 N SER A 84 12.765 -2.998 4.375 1.00 0.00 N ATOM 1262 CA SER A 84 12.404 -4.374 4.694 1.00 0.00 C ATOM 1263 C SER A 84 11.378 -4.420 5.822 1.00 0.00 C ATOM 1264 O SER A 84 11.200 -3.447 6.554 1.00 0.00 O ATOM 1265 CB SER A 84 13.649 -5.172 5.089 1.00 0.00 C ATOM 1266 OG SER A 84 14.101 -4.804 6.381 1.00 0.00 O ATOM 0 H SER A 84 13.764 -2.801 4.429 1.00 0.00 H new ATOM 0 HA SER A 84 11.960 -4.822 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.423 -6.238 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.441 -5.000 4.360 1.00 0.00 H new ATOM 0 HG SER A 84 14.896 -5.329 6.611 1.00 0.00 H new ATOM 1272 N GLY A 85 10.704 -5.558 5.955 1.00 0.00 N ATOM 1273 CA GLY A 85 9.704 -5.711 6.995 1.00 0.00 C ATOM 1274 C GLY A 85 8.805 -4.497 7.117 1.00 0.00 C ATOM 1275 O GLY A 85 8.513 -4.040 8.222 1.00 0.00 O ATOM 0 H GLY A 85 10.833 -6.377 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.095 -6.590 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.200 -5.889 7.949 1.00 0.00 H new ATOM 1279 N ALA A 86 8.365 -3.971 5.978 1.00 0.00 N ATOM 1280 CA ALA A 86 7.494 -2.802 5.962 1.00 0.00 C ATOM 1281 C ALA A 86 6.119 -3.135 6.532 1.00 0.00 C ATOM 1282 O ALA A 86 5.794 -4.302 6.754 1.00 0.00 O ATOM 1283 CB ALA A 86 7.364 -2.260 4.547 1.00 0.00 C ATOM 0 H ALA A 86 8.598 -4.336 5.054 1.00 0.00 H new ATOM 0 HA ALA A 86 7.944 -2.035 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.711 -1.387 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.348 -1.975 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.940 -3.028 3.901 1.00 0.00 H new ATOM 1289 N LEU A 87 5.316 -2.103 6.767 1.00 0.00 N ATOM 1290 CA LEU A 87 3.975 -2.286 7.311 1.00 0.00 C ATOM 1291 C LEU A 87 2.918 -1.777 6.337 1.00 0.00 C ATOM 1292 O LEU A 87 2.597 -0.589 6.318 1.00 0.00 O ATOM 1293 CB LEU A 87 3.844 -1.559 8.651 1.00 0.00 C ATOM 1294 CG LEU A 87 2.875 -2.178 9.659 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.523 -2.433 9.012 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.449 -3.468 10.226 1.00 0.00 C ATOM 0 H LEU A 87 5.570 -1.131 6.589 1.00 0.00 H new ATOM 0 HA LEU A 87 3.815 -3.353 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.831 -1.507 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.528 -0.534 8.456 1.00 0.00 H new ATOM 0 HG LEU A 87 2.735 -1.474 10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.847 -2.874 9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.107 -1.491 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.645 -3.118 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.747 -3.895 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.619 -4.178 9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.394 -3.257 10.727 1.00 0.00 H new ATOM 1308 N VAL A 88 2.377 -2.685 5.531 1.00 0.00 N ATOM 1309 CA VAL A 88 1.352 -2.329 4.557 1.00 0.00 C ATOM 1310 C VAL A 88 -0.044 -2.622 5.095 1.00 0.00 C ATOM 1311 O VAL A 88 -0.484 -3.770 5.117 1.00 0.00 O ATOM 1312 CB VAL A 88 1.549 -3.090 3.232 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.540 -2.625 2.194 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.971 -2.911 2.722 1.00 0.00 C ATOM 0 H VAL A 88 2.632 -3.673 5.533 1.00 0.00 H new ATOM 0 HA VAL A 88 1.450 -1.259 4.372 1.00 0.00 H new ATOM 0 HB VAL A 88 1.383 -4.152 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.695 -3.174 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.470 -2.809 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.671 -1.558 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.093 -3.455 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.167 -1.852 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.674 -3.298 3.460 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.737 -1.573 5.529 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.076 -1.738 6.062 1.00 0.00 C ATOM 1326 C GLY A 89 -3.056 -0.733 5.488 1.00 0.00 C ATOM 1327 O GLY A 89 -2.674 0.380 5.125 1.00 0.00 O ATOM 0 H GLY A 89 -0.394 -0.612 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.428 -2.747 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.047 -1.634 7.147 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.323 -1.126 5.404 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.360 -0.252 4.867 1.00 0.00 C ATOM 1333 C PHE A 90 -6.374 0.113 5.946 1.00 0.00 C ATOM 1334 O PHE A 90 -7.200 -0.710 6.342 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.069 -0.929 3.693 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.398 -0.314 3.360 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.468 0.864 2.634 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.577 -0.914 3.772 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.690 1.433 2.327 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.802 -0.350 3.468 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.858 0.825 2.743 1.00 0.00 C ATOM 0 H PHE A 90 -4.656 -2.043 5.701 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.884 0.663 4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.426 -0.882 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.214 -1.984 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.558 1.343 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.539 -1.833 4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.731 2.353 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.714 -0.827 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.813 1.267 2.502 1.00 0.00 H new ATOM 1351 N SER A 91 -6.306 1.354 6.419 1.00 0.00 N ATOM 1352 CA SER A 91 -7.215 1.829 7.455 1.00 0.00 C ATOM 1353 C SER A 91 -8.484 2.410 6.840 1.00 0.00 C ATOM 1354 O SER A 91 -8.423 3.239 5.932 1.00 0.00 O ATOM 1355 CB SER A 91 -6.526 2.883 8.324 1.00 0.00 C ATOM 1356 OG SER A 91 -6.206 4.038 7.566 1.00 0.00 O ATOM 0 H SER A 91 -5.630 2.049 6.101 1.00 0.00 H new ATOM 0 HA SER A 91 -7.491 0.979 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.177 3.157 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.617 2.465 8.757 1.00 0.00 H new ATOM 0 HG SER A 91 -5.245 4.048 7.376 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.632 1.969 7.342 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.918 2.444 6.842 1.00 0.00 C ATOM 1364 C CYS A 92 -11.945 2.519 7.967 1.00 0.00 C ATOM 1365 O CYS A 92 -11.833 1.842 8.989 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.427 1.525 5.731 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.498 0.189 6.311 1.00 0.00 S ATOM 0 H CYS A 92 -9.699 1.284 8.094 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.775 3.446 6.438 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.973 2.123 5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.572 1.092 5.212 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.879 -0.532 5.299 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.969 3.364 7.778 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.035 3.549 8.767 1.00 0.00 C ATOM 1375 C PRO A 93 -14.938 2.325 8.882 1.00 0.00 C ATOM 1376 O PRO A 93 -16.038 2.299 8.332 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.822 4.744 8.221 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.565 4.728 6.754 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.166 4.203 6.584 1.00 0.00 C ATOM 0 HA PRO A 93 -13.638 3.705 9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.886 4.650 8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.487 5.678 8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.285 4.093 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.661 5.728 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.062 3.625 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.436 5.011 6.536 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.465 1.312 9.602 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.242 0.100 9.777 1.00 0.00 C ATOM 1389 C GLY A 94 -14.373 -1.141 9.848 1.00 0.00 C ATOM 1390 O GLY A 94 -14.824 -2.199 10.288 1.00 0.00 O ATOM 0 H GLY A 94 -13.557 1.310 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.832 0.179 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.945 0.000 8.950 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.124 -1.012 9.414 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.190 -2.131 9.430 1.00 0.00 C ATOM 1396 C VAL A 95 -10.776 -1.662 9.753 1.00 0.00 C ATOM 1397 O VAL A 95 -10.392 -0.541 9.420 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.178 -2.872 8.080 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.049 -3.891 8.040 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.520 -3.541 7.827 1.00 0.00 C ATOM 0 H VAL A 95 -12.735 -0.143 9.047 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.529 -2.815 10.208 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.006 -2.144 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.056 -4.405 7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.094 -3.382 8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.186 -4.618 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.493 -4.060 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.725 -4.258 8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.305 -2.785 7.809 1.00 0.00 H new ATOM 1410 N GLN A 96 -10.005 -2.528 10.403 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.632 -2.202 10.771 1.00 0.00 C ATOM 1412 C GLN A 96 -7.734 -3.431 10.669 1.00 0.00 C ATOM 1413 O GLN A 96 -7.799 -4.330 11.507 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.583 -1.637 12.192 1.00 0.00 C ATOM 1415 CG GLN A 96 -7.185 -1.606 12.787 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.846 -2.873 13.547 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -7.735 -3.589 14.010 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -5.556 -3.157 13.680 1.00 0.00 N ATOM 0 H GLN A 96 -10.308 -3.460 10.686 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.265 -1.448 10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.989 -0.625 12.186 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.229 -2.235 12.834 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.458 -1.460 11.988 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.098 -0.751 13.457 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.853 -2.535 13.280 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.268 -3.997 14.182 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.898 -3.462 9.637 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.986 -4.580 9.426 1.00 0.00 C ATOM 1429 C ASP A 97 -4.723 -4.122 8.704 1.00 0.00 C ATOM 1430 O ASP A 97 -4.715 -3.083 8.044 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.676 -5.684 8.622 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.150 -7.064 8.964 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.142 -7.481 8.358 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.748 -7.727 9.838 1.00 0.00 O ATOM 0 H ASP A 97 -6.833 -2.726 8.934 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.702 -4.975 10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.749 -5.650 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.533 -5.497 7.558 1.00 0.00 H new ATOM 1439 N SER A 98 -3.656 -4.905 8.834 1.00 0.00 N ATOM 1440 CA SER A 98 -2.386 -4.577 8.198 1.00 0.00 C ATOM 1441 C SER A 98 -1.541 -5.831 7.993 1.00 0.00 C ATOM 1442 O SER A 98 -1.669 -6.806 8.733 1.00 0.00 O ATOM 1443 CB SER A 98 -1.615 -3.561 9.043 1.00 0.00 C ATOM 1444 OG SER A 98 -1.405 -4.047 10.358 1.00 0.00 O ATOM 0 H SER A 98 -3.646 -5.770 9.374 1.00 0.00 H new ATOM 0 HA SER A 98 -2.599 -4.140 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.655 -3.346 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.167 -2.622 9.083 1.00 0.00 H new ATOM 0 HG SER A 98 -1.054 -3.326 10.921 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.678 -5.797 6.984 1.00 0.00 N ATOM 1451 CA ALA A 99 0.190 -6.929 6.682 1.00 0.00 C ATOM 1452 C ALA A 99 1.660 -6.541 6.802 1.00 0.00 C ATOM 1453 O ALA A 99 1.986 -5.395 7.109 1.00 0.00 O ATOM 1454 CB ALA A 99 -0.105 -7.463 5.288 1.00 0.00 C ATOM 0 H ALA A 99 -0.561 -4.998 6.361 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.012 -7.714 7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.550 -8.308 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.144 -7.788 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.067 -6.677 4.553 1.00 0.00 H new ATOM 1460 N ALA A 100 2.543 -7.504 6.559 1.00 0.00 N ATOM 1461 CA ALA A 100 3.978 -7.263 6.638 1.00 0.00 C ATOM 1462 C ALA A 100 4.633 -7.389 5.267 1.00 0.00 C ATOM 1463 O ALA A 100 4.351 -8.325 4.517 1.00 0.00 O ATOM 1464 CB ALA A 100 4.621 -8.227 7.624 1.00 0.00 C ATOM 0 H ALA A 100 2.289 -8.459 6.306 1.00 0.00 H new ATOM 0 HA ALA A 100 4.131 -6.243 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.693 -8.036 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.181 -8.085 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.450 -9.252 7.295 1.00 0.00 H new ATOM 1470 N LEU A 101 5.507 -6.443 4.945 1.00 0.00 N ATOM 1471 CA LEU A 101 6.203 -6.448 3.663 1.00 0.00 C ATOM 1472 C LEU A 101 7.677 -6.796 3.844 1.00 0.00 C ATOM 1473 O LEU A 101 8.447 -6.014 4.401 1.00 0.00 O ATOM 1474 CB LEU A 101 6.069 -5.085 2.982 1.00 0.00 C ATOM 1475 CG LEU A 101 6.884 -4.890 1.703 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.383 -5.816 0.605 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.823 -3.439 1.248 1.00 0.00 C ATOM 0 H LEU A 101 5.751 -5.662 5.554 1.00 0.00 H new ATOM 0 HA LEU A 101 5.744 -7.209 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.017 -4.920 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.361 -4.315 3.696 1.00 0.00 H new ATOM 0 HG LEU A 101 7.923 -5.140 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.975 -5.663 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.479 -6.852 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.336 -5.597 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.409 -3.319 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.787 -3.162 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.230 -2.796 2.028 1.00 0.00 H new ATOM 1489 N THR A 102 8.064 -7.976 3.367 1.00 0.00 N ATOM 1490 CA THR A 102 9.445 -8.428 3.475 1.00 0.00 C ATOM 1491 C THR A 102 10.203 -8.194 2.174 1.00 0.00 C ATOM 1492 O THR A 102 9.638 -8.308 1.086 1.00 0.00 O ATOM 1493 CB THR A 102 9.520 -9.923 3.839 1.00 0.00 C ATOM 1494 OG1 THR A 102 8.833 -10.162 5.072 1.00 0.00 O ATOM 1495 CG2 THR A 102 10.967 -10.377 3.962 1.00 0.00 C ATOM 0 H THR A 102 7.440 -8.635 2.902 1.00 0.00 H new ATOM 0 HA THR A 102 9.907 -7.845 4.271 1.00 0.00 H new ATOM 0 HB THR A 102 9.043 -10.493 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.884 -11.115 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 102 10.996 -11.436 4.220 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.479 -10.221 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.464 -9.800 4.742 1.00 0.00 H new ATOM 1503 N ILE A 103 11.486 -7.867 2.292 1.00 0.00 N ATOM 1504 CA ILE A 103 12.321 -7.619 1.124 1.00 0.00 C ATOM 1505 C ILE A 103 13.738 -8.139 1.341 1.00 0.00 C ATOM 1506 O ILE A 103 14.445 -7.683 2.239 1.00 0.00 O ATOM 1507 CB ILE A 103 12.384 -6.118 0.784 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.973 -5.556 0.598 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.219 -5.893 -0.468 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.916 -4.045 0.623 1.00 0.00 C ATOM 0 H ILE A 103 11.969 -7.768 3.185 1.00 0.00 H new ATOM 0 HA ILE A 103 11.864 -8.153 0.291 1.00 0.00 H new ATOM 0 HB ILE A 103 12.858 -5.592 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.572 -5.911 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.328 -5.949 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.254 -4.828 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.231 -6.262 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.771 -6.428 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.886 -3.717 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.287 -3.683 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.534 -3.644 -0.180 1.00 0.00 H new ATOM 1522 N GLN A 104 14.146 -9.094 0.511 1.00 0.00 N ATOM 1523 CA GLN A 104 15.480 -9.674 0.613 1.00 0.00 C ATOM 1524 C GLN A 104 16.438 -9.014 -0.374 1.00 0.00 C ATOM 1525 O GLN A 104 16.138 -8.900 -1.562 1.00 0.00 O ATOM 1526 CB GLN A 104 15.424 -11.181 0.356 1.00 0.00 C ATOM 1527 CG GLN A 104 14.908 -11.981 1.541 1.00 0.00 C ATOM 1528 CD GLN A 104 15.809 -11.874 2.755 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.743 -12.659 2.921 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.534 -10.898 3.613 1.00 0.00 N ATOM 0 H GLN A 104 13.573 -9.482 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 104 15.849 -9.497 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.784 -11.371 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.422 -11.534 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.909 -11.632 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.814 -13.028 1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.750 -10.270 3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.107 -10.777 4.448 1.00 0.00 H new ATOM 1539 N GLU A 105 17.590 -8.581 0.128 1.00 0.00 N ATOM 1540 CA GLU A 105 18.591 -7.931 -0.711 1.00 0.00 C ATOM 1541 C GLU A 105 18.954 -8.809 -1.904 1.00 0.00 C ATOM 1542 O GLU A 105 18.627 -9.995 -1.938 1.00 0.00 O ATOM 1543 CB GLU A 105 19.846 -7.616 0.106 1.00 0.00 C ATOM 1544 CG GLU A 105 19.789 -6.275 0.818 1.00 0.00 C ATOM 1545 CD GLU A 105 21.114 -5.892 1.448 1.00 0.00 C ATOM 1546 OE1 GLU A 105 21.543 -6.587 2.393 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.721 -4.899 0.997 1.00 0.00 O ATOM 0 H GLU A 105 17.853 -8.668 1.110 1.00 0.00 H new ATOM 0 HA GLU A 105 18.166 -6.999 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 105 19.996 -8.404 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.713 -7.630 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.492 -5.503 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.021 -6.310 1.590 1.00 0.00 H new