USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -0.19 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.00399 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 35 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -159:sc= 1.26 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -126:sc= 0.119 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.116 8.448 -6.426 1.00 0.00 N ATOM 21 CA VAL A 2 -7.593 7.362 -5.543 1.00 0.00 C ATOM 22 C VAL A 2 -6.495 6.577 -6.263 1.00 0.00 C ATOM 23 O VAL A 2 -6.731 5.947 -7.274 1.00 0.00 O ATOM 24 CB VAL A 2 -8.796 6.458 -5.252 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.782 7.199 -4.348 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.494 6.080 -6.562 1.00 0.00 C ATOM 0 HA VAL A 2 -7.155 7.757 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.450 5.552 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.638 6.557 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.290 7.462 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.122 8.107 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.348 5.437 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.838 6.984 -7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.794 5.549 -7.207 1.00 0.00 H new ATOM 36 N LYS A 3 -5.293 6.616 -5.755 1.00 0.00 N ATOM 37 CA LYS A 3 -4.183 5.874 -6.418 1.00 0.00 C ATOM 38 C LYS A 3 -3.268 5.218 -5.379 1.00 0.00 C ATOM 39 O LYS A 3 -2.904 5.822 -4.389 1.00 0.00 O ATOM 40 CB LYS A 3 -3.417 6.941 -7.202 1.00 0.00 C ATOM 41 CG LYS A 3 -3.795 6.860 -8.682 1.00 0.00 C ATOM 42 CD LYS A 3 -2.735 7.577 -9.520 1.00 0.00 C ATOM 43 CE LYS A 3 -1.514 6.669 -9.683 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.882 7.100 -10.962 1.00 0.00 N ATOM 0 H LYS A 3 -5.032 7.128 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.553 5.072 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.649 7.931 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.344 6.795 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.874 5.818 -8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.772 7.316 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.142 7.836 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.445 8.511 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.825 6.779 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.805 5.619 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.036 6.523 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.559 6.977 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.609 8.101 -10.894 1.00 0.00 H new ATOM 58 N ILE A 4 -2.878 3.993 -5.608 1.00 0.00 N ATOM 59 CA ILE A 4 -1.970 3.307 -4.652 1.00 0.00 C ATOM 60 C ILE A 4 -0.535 3.382 -5.206 1.00 0.00 C ATOM 61 O ILE A 4 -0.252 2.889 -6.280 1.00 0.00 O ATOM 62 CB ILE A 4 -2.516 1.860 -4.550 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.221 1.689 -3.206 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.399 0.810 -4.666 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.479 2.557 -3.180 1.00 0.00 C ATOM 0 H ILE A 4 -3.151 3.438 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.937 3.756 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.208 1.705 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.484 0.643 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.553 1.973 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.829 -0.189 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.898 0.916 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.677 0.957 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.984 2.437 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.202 3.603 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.149 2.251 -3.984 1.00 0.00 H new ATOM 77 N ARG A 5 0.368 4.000 -4.490 1.00 0.00 N ATOM 78 CA ARG A 5 1.764 4.102 -4.997 1.00 0.00 C ATOM 79 C ARG A 5 2.762 4.157 -3.840 1.00 0.00 C ATOM 80 O ARG A 5 2.391 4.109 -2.688 1.00 0.00 O ATOM 81 CB ARG A 5 1.807 5.396 -5.812 1.00 0.00 C ATOM 82 CG ARG A 5 1.398 6.578 -4.931 1.00 0.00 C ATOM 83 CD ARG A 5 1.313 7.844 -5.787 1.00 0.00 C ATOM 84 NE ARG A 5 1.709 8.955 -4.873 1.00 0.00 N ATOM 85 CZ ARG A 5 2.961 9.113 -4.510 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.899 8.314 -4.955 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.276 10.084 -3.696 1.00 0.00 N ATOM 0 H ARG A 5 0.199 4.435 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 5 2.038 3.235 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.811 5.555 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.137 5.320 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.435 6.379 -4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.123 6.716 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.979 7.784 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.305 7.992 -6.174 1.00 0.00 H new ATOM 0 HE ARG A 5 0.999 9.599 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.662 7.555 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.867 8.451 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.552 10.712 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.246 10.214 -3.409 1.00 0.00 H new ATOM 101 N LEU A 6 4.030 4.252 -4.141 1.00 0.00 N ATOM 102 CA LEU A 6 5.056 4.291 -3.056 1.00 0.00 C ATOM 103 C LEU A 6 5.317 5.731 -2.597 1.00 0.00 C ATOM 104 O LEU A 6 5.630 6.601 -3.386 1.00 0.00 O ATOM 105 CB LEU A 6 6.312 3.693 -3.690 1.00 0.00 C ATOM 106 CG LEU A 6 6.147 2.177 -3.805 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.397 1.840 -5.096 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.526 1.515 -3.831 1.00 0.00 C ATOM 0 H LEU A 6 4.400 4.304 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 6 4.735 3.742 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.478 4.128 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.187 3.930 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 6 5.581 1.808 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.280 0.759 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.414 2.311 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.962 2.209 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.409 0.434 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.091 1.885 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.061 1.753 -2.912 1.00 0.00 H new ATOM 120 N ALA A 7 5.172 5.987 -1.320 1.00 0.00 N ATOM 121 CA ALA A 7 5.390 7.368 -0.794 1.00 0.00 C ATOM 122 C ALA A 7 6.765 7.513 -0.139 1.00 0.00 C ATOM 123 O ALA A 7 6.964 7.119 0.989 1.00 0.00 O ATOM 124 CB ALA A 7 4.308 7.533 0.259 1.00 0.00 C ATOM 0 H ALA A 7 4.911 5.295 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 7 5.348 8.113 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.385 8.524 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.328 7.420 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.433 6.774 1.032 1.00 0.00 H new ATOM 130 N ARG A 8 7.707 8.088 -0.832 1.00 0.00 N ATOM 131 CA ARG A 8 9.069 8.258 -0.249 1.00 0.00 C ATOM 132 C ARG A 8 9.063 9.258 0.912 1.00 0.00 C ATOM 133 O ARG A 8 8.727 10.414 0.748 1.00 0.00 O ATOM 134 CB ARG A 8 9.918 8.801 -1.396 1.00 0.00 C ATOM 135 CG ARG A 8 11.401 8.633 -1.054 1.00 0.00 C ATOM 136 CD ARG A 8 12.258 9.088 -2.237 1.00 0.00 C ATOM 137 NE ARG A 8 13.633 9.237 -1.680 1.00 0.00 N ATOM 138 CZ ARG A 8 14.680 9.252 -2.472 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.544 9.143 -3.770 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.874 9.377 -1.959 1.00 0.00 N ATOM 0 H ARG A 8 7.593 8.449 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 8 9.448 7.319 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.684 8.271 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.689 9.853 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.648 9.217 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.614 7.590 -0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.236 8.357 -3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.895 10.029 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 8 13.762 9.328 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.615 9.045 -4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.367 9.156 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.989 9.462 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.692 9.389 -2.568 1.00 0.00 H new ATOM 276 N TYR A 17 9.213 3.593 1.158 1.00 0.00 N ATOM 277 CA TYR A 17 7.991 4.297 0.728 1.00 0.00 C ATOM 278 C TYR A 17 6.788 3.529 1.224 1.00 0.00 C ATOM 279 O TYR A 17 6.850 2.332 1.414 1.00 0.00 O ATOM 280 CB TYR A 17 7.957 4.254 -0.796 1.00 0.00 C ATOM 281 CG TYR A 17 9.296 4.563 -1.408 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.329 3.626 -1.353 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.490 5.784 -2.053 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.560 3.914 -1.940 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.718 6.076 -2.641 1.00 0.00 C ATOM 286 CZ TYR A 17 11.759 5.141 -2.586 1.00 0.00 C ATOM 287 OH TYR A 17 12.977 5.427 -3.167 1.00 0.00 O ATOM 0 HA TYR A 17 7.981 5.318 1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.631 3.266 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.220 4.969 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.175 2.679 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.687 6.504 -2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.361 3.191 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.867 7.023 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 17 12.945 6.318 -3.573 1.00 0.00 H new ATOM 297 N ARG A 18 5.680 4.176 1.378 1.00 0.00 N ATOM 298 CA ARG A 18 4.481 3.426 1.792 1.00 0.00 C ATOM 299 C ARG A 18 3.650 3.173 0.558 1.00 0.00 C ATOM 300 O ARG A 18 3.695 3.926 -0.393 1.00 0.00 O ATOM 301 CB ARG A 18 3.712 4.317 2.749 1.00 0.00 C ATOM 302 CG ARG A 18 4.307 4.191 4.150 1.00 0.00 C ATOM 303 CD ARG A 18 3.424 3.272 4.997 1.00 0.00 C ATOM 304 NE ARG A 18 4.201 3.035 6.246 1.00 0.00 N ATOM 305 CZ ARG A 18 3.642 2.467 7.289 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.389 2.084 7.257 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.345 2.277 8.372 1.00 0.00 N ATOM 0 H ARG A 18 5.553 5.178 1.237 1.00 0.00 H new ATOM 0 HA ARG A 18 4.730 2.478 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.758 5.353 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.660 4.033 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.319 3.790 4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.380 5.174 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.462 3.738 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.216 2.336 4.478 1.00 0.00 H new ATOM 0 HE ARG A 18 5.180 3.318 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.834 2.226 6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.969 1.644 8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.322 2.569 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.918 1.836 9.187 1.00 0.00 H new ATOM 321 N ILE A 19 2.842 2.177 0.588 1.00 0.00 N ATOM 322 CA ILE A 19 1.958 1.936 -0.561 1.00 0.00 C ATOM 323 C ILE A 19 0.666 2.557 -0.093 1.00 0.00 C ATOM 324 O ILE A 19 -0.225 1.917 0.430 1.00 0.00 O ATOM 325 CB ILE A 19 1.875 0.417 -0.774 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.150 -0.292 -0.287 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.742 0.129 -2.264 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.979 -1.804 -0.429 1.00 0.00 C ATOM 0 H ILE A 19 2.752 1.515 1.359 1.00 0.00 H new ATOM 0 HA ILE A 19 2.269 2.351 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 19 1.017 0.052 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.010 0.043 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.347 -0.034 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.683 -0.948 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.838 0.603 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.610 0.526 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.883 -2.306 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.130 -2.132 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.802 -2.054 -1.475 1.00 0.00 H new ATOM 340 N VAL A 20 0.655 3.857 -0.161 1.00 0.00 N ATOM 341 CA VAL A 20 -0.455 4.648 0.394 1.00 0.00 C ATOM 342 C VAL A 20 -1.478 5.035 -0.670 1.00 0.00 C ATOM 343 O VAL A 20 -1.345 4.717 -1.837 1.00 0.00 O ATOM 344 CB VAL A 20 0.293 5.867 0.989 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.281 7.070 0.039 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.336 6.264 2.316 1.00 0.00 C ATOM 0 H VAL A 20 1.394 4.412 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.058 4.113 1.128 1.00 0.00 H new ATOM 0 HB VAL A 20 1.331 5.570 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.817 7.901 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.767 6.798 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.749 7.367 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.195 7.122 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.382 6.526 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.272 5.429 3.013 1.00 0.00 H new ATOM 356 N VAL A 21 -2.526 5.682 -0.249 1.00 0.00 N ATOM 357 CA VAL A 21 -3.605 6.052 -1.195 1.00 0.00 C ATOM 358 C VAL A 21 -3.783 7.569 -1.215 1.00 0.00 C ATOM 359 O VAL A 21 -4.150 8.176 -0.228 1.00 0.00 O ATOM 360 CB VAL A 21 -4.878 5.363 -0.657 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.762 4.965 -1.830 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.545 4.094 0.138 1.00 0.00 C ATOM 0 H VAL A 21 -2.680 5.971 0.717 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.382 5.740 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.383 6.068 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.663 4.478 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.038 5.855 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.219 4.277 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.467 3.639 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.020 3.388 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.911 4.352 0.986 1.00 0.00 H new ATOM 372 N THR A 22 -3.522 8.186 -2.331 1.00 0.00 N ATOM 373 CA THR A 22 -3.670 9.668 -2.413 1.00 0.00 C ATOM 374 C THR A 22 -4.299 10.068 -3.749 1.00 0.00 C ATOM 375 O THR A 22 -4.647 9.233 -4.560 1.00 0.00 O ATOM 376 CB THR A 22 -2.243 10.233 -2.311 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.248 11.592 -2.727 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.284 9.434 -3.204 1.00 0.00 C ATOM 0 H THR A 22 -3.213 7.731 -3.190 1.00 0.00 H new ATOM 0 HA THR A 22 -4.317 10.051 -1.623 1.00 0.00 H new ATOM 0 HB THR A 22 -1.906 10.158 -1.277 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.341 11.957 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.279 9.847 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.275 8.391 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.616 9.495 -4.240 1.00 0.00 H new ATOM 543 N TYR A 32 -2.009 11.779 1.353 1.00 0.00 N ATOM 544 CA TYR A 32 -2.862 10.587 1.049 1.00 0.00 C ATOM 545 C TYR A 32 -4.057 10.508 1.995 1.00 0.00 C ATOM 546 O TYR A 32 -4.241 11.334 2.867 1.00 0.00 O ATOM 547 CB TYR A 32 -1.961 9.359 1.238 1.00 0.00 C ATOM 548 CG TYR A 32 -1.192 9.467 2.537 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.805 9.118 3.746 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.133 9.920 2.529 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.093 9.222 4.947 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.845 10.024 3.729 1.00 0.00 C ATOM 553 CZ TYR A 32 0.233 9.675 4.939 1.00 0.00 C ATOM 554 OH TYR A 32 0.936 9.776 6.124 1.00 0.00 O ATOM 0 HA TYR A 32 -3.262 10.646 0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.566 8.452 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.266 9.277 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.827 8.769 3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.606 10.189 1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.566 8.953 5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.867 10.374 3.722 1.00 0.00 H new ATOM 0 HH TYR A 32 1.841 10.105 5.941 1.00 0.00 H new ATOM 564 N ILE A 33 -4.875 9.510 1.814 1.00 0.00 N ATOM 565 CA ILE A 33 -6.075 9.346 2.678 1.00 0.00 C ATOM 566 C ILE A 33 -5.770 8.372 3.822 1.00 0.00 C ATOM 567 O ILE A 33 -6.114 8.613 4.963 1.00 0.00 O ATOM 568 CB ILE A 33 -7.138 8.778 1.734 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.562 9.862 0.741 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.358 8.322 2.532 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.585 9.281 -0.674 1.00 0.00 C ATOM 0 H ILE A 33 -4.762 8.794 1.097 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.398 10.276 3.146 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.721 7.925 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.548 10.245 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.871 10.703 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.108 7.920 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.061 7.550 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.777 9.171 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.887 10.054 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.590 8.920 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.294 8.454 -0.716 1.00 0.00 H new ATOM 583 N GLU A 34 -5.128 7.275 3.528 1.00 0.00 N ATOM 584 CA GLU A 34 -4.803 6.288 4.600 1.00 0.00 C ATOM 585 C GLU A 34 -3.615 5.418 4.181 1.00 0.00 C ATOM 586 O GLU A 34 -3.226 5.392 3.030 1.00 0.00 O ATOM 587 CB GLU A 34 -6.061 5.435 4.751 1.00 0.00 C ATOM 588 CG GLU A 34 -6.749 5.764 6.078 1.00 0.00 C ATOM 589 CD GLU A 34 -6.465 4.654 7.091 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.309 4.480 7.441 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.407 3.996 7.498 1.00 0.00 O ATOM 0 H GLU A 34 -4.814 7.018 2.592 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.525 6.775 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.742 5.623 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.801 4.377 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.388 6.719 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.824 5.866 5.927 1.00 0.00 H new ATOM 598 N LYS A 35 -3.039 4.700 5.108 1.00 0.00 N ATOM 599 CA LYS A 35 -1.878 3.827 4.761 1.00 0.00 C ATOM 600 C LYS A 35 -2.334 2.371 4.630 1.00 0.00 C ATOM 601 O LYS A 35 -2.623 1.711 5.608 1.00 0.00 O ATOM 602 CB LYS A 35 -0.906 3.977 5.931 1.00 0.00 C ATOM 603 CG LYS A 35 -0.312 5.387 5.930 1.00 0.00 C ATOM 604 CD LYS A 35 -0.171 5.881 7.371 1.00 0.00 C ATOM 605 CE LYS A 35 1.251 6.397 7.597 1.00 0.00 C ATOM 606 NZ LYS A 35 1.083 7.807 8.047 1.00 0.00 N ATOM 0 H LYS A 35 -3.321 4.680 6.088 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.421 4.106 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.423 3.790 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.110 3.237 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.661 5.383 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.953 6.063 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.892 6.674 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.390 5.072 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.772 5.803 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.841 6.342 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.969 8.142 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.846 8.406 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.317 7.859 8.749 1.00 0.00 H new ATOM 620 N ILE A 36 -2.402 1.866 3.428 1.00 0.00 N ATOM 621 CA ILE A 36 -2.843 0.447 3.244 1.00 0.00 C ATOM 622 C ILE A 36 -1.651 -0.465 3.035 1.00 0.00 C ATOM 623 O ILE A 36 -1.648 -1.601 3.467 1.00 0.00 O ATOM 624 CB ILE A 36 -3.742 0.461 2.013 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.922 0.866 0.774 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.875 1.462 2.247 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.842 1.012 -0.438 1.00 0.00 C ATOM 0 H ILE A 36 -2.174 2.367 2.569 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.367 0.068 4.121 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.159 -0.532 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.403 1.806 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.158 0.115 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.528 1.484 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.450 1.162 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.455 2.455 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.253 1.299 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.340 0.062 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.590 1.779 -0.237 1.00 0.00 H new ATOM 639 N GLY A 37 -0.640 0.009 2.380 1.00 0.00 N ATOM 640 CA GLY A 37 0.535 -0.855 2.159 1.00 0.00 C ATOM 641 C GLY A 37 1.800 -0.149 2.615 1.00 0.00 C ATOM 642 O GLY A 37 1.824 1.049 2.816 1.00 0.00 O ATOM 0 H GLY A 37 -0.577 0.950 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.415 -1.791 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.614 -1.111 1.102 1.00 0.00 H new ATOM 646 N TYR A 38 2.861 -0.884 2.754 1.00 0.00 N ATOM 647 CA TYR A 38 4.152 -0.264 3.174 1.00 0.00 C ATOM 648 C TYR A 38 5.303 -0.877 2.373 1.00 0.00 C ATOM 649 O TYR A 38 5.305 -2.057 2.087 1.00 0.00 O ATOM 650 CB TYR A 38 4.296 -0.593 4.662 1.00 0.00 C ATOM 651 CG TYR A 38 5.654 -0.139 5.153 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.068 1.182 4.946 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.497 -1.041 5.813 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.324 1.603 5.399 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.753 -0.620 6.266 1.00 0.00 C ATOM 656 CZ TYR A 38 8.166 0.701 6.059 1.00 0.00 C ATOM 657 OH TYR A 38 9.405 1.114 6.506 1.00 0.00 O ATOM 0 H TYR A 38 2.895 -1.891 2.596 1.00 0.00 H new ATOM 0 HA TYR A 38 4.172 0.812 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.508 -0.100 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.180 -1.665 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.418 1.877 4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.179 -2.061 5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.643 2.622 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.404 -1.315 6.776 1.00 0.00 H new ATOM 0 HH TYR A 38 9.985 0.334 6.631 1.00 0.00 H new ATOM 667 N TYR A 39 6.292 -0.098 2.020 1.00 0.00 N ATOM 668 CA TYR A 39 7.434 -0.672 1.256 1.00 0.00 C ATOM 669 C TYR A 39 8.755 -0.227 1.899 1.00 0.00 C ATOM 670 O TYR A 39 8.942 0.936 2.195 1.00 0.00 O ATOM 671 CB TYR A 39 7.327 -0.114 -0.166 1.00 0.00 C ATOM 672 CG TYR A 39 8.417 -0.734 -1.010 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.750 -0.344 -0.827 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.102 -1.709 -1.964 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.764 -0.925 -1.596 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.118 -2.290 -2.734 1.00 0.00 C ATOM 677 CZ TYR A 39 10.448 -1.896 -2.550 1.00 0.00 C ATOM 678 OH TYR A 39 11.448 -2.467 -3.309 1.00 0.00 O ATOM 0 H TYR A 39 6.357 0.899 2.226 1.00 0.00 H new ATOM 0 HA TYR A 39 7.409 -1.762 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.348 -0.339 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.428 0.971 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.995 0.407 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.076 -2.013 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.791 -0.623 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.875 -3.042 -3.470 1.00 0.00 H new ATOM 0 HH TYR A 39 11.058 -3.124 -3.923 1.00 0.00 H new ATOM 688 N ASP A 40 9.674 -1.130 2.122 1.00 0.00 N ATOM 689 CA ASP A 40 10.970 -0.723 2.745 1.00 0.00 C ATOM 690 C ASP A 40 12.147 -1.468 2.098 1.00 0.00 C ATOM 691 O ASP A 40 12.346 -2.639 2.352 1.00 0.00 O ATOM 692 CB ASP A 40 10.838 -1.111 4.218 1.00 0.00 C ATOM 693 CG ASP A 40 11.840 -0.305 5.048 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.812 0.161 4.478 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.617 -0.170 6.240 1.00 0.00 O ATOM 0 H ASP A 40 9.586 -2.122 1.903 1.00 0.00 H new ATOM 0 HA ASP A 40 11.167 0.341 2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.823 -0.919 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.021 -2.178 4.342 1.00 0.00 H new ATOM 838 N LEU A 49 8.153 -6.190 1.957 1.00 0.00 N ATOM 839 CA LEU A 49 6.823 -5.615 1.597 1.00 0.00 C ATOM 840 C LEU A 49 5.783 -5.980 2.657 1.00 0.00 C ATOM 841 O LEU A 49 5.591 -7.133 2.988 1.00 0.00 O ATOM 842 CB LEU A 49 6.458 -6.248 0.251 1.00 0.00 C ATOM 843 CG LEU A 49 5.307 -5.470 -0.410 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.014 -5.676 0.380 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.637 -3.974 -0.465 1.00 0.00 C ATOM 0 HA LEU A 49 6.852 -4.527 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.328 -6.251 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.166 -7.288 0.398 1.00 0.00 H new ATOM 0 HG LEU A 49 5.176 -5.844 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.205 -5.122 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.764 -6.737 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.150 -5.317 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.813 -3.437 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.786 -3.597 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.547 -3.823 -1.046 1.00 0.00 H new ATOM 857 N LYS A 50 5.100 -5.001 3.179 1.00 0.00 N ATOM 858 CA LYS A 50 4.055 -5.279 4.204 1.00 0.00 C ATOM 859 C LYS A 50 2.770 -4.550 3.817 1.00 0.00 C ATOM 860 O LYS A 50 2.709 -3.336 3.847 1.00 0.00 O ATOM 861 CB LYS A 50 4.614 -4.725 5.515 1.00 0.00 C ATOM 862 CG LYS A 50 5.825 -5.551 5.948 1.00 0.00 C ATOM 863 CD LYS A 50 5.671 -5.951 7.417 1.00 0.00 C ATOM 864 CE LYS A 50 4.408 -6.799 7.588 1.00 0.00 C ATOM 865 NZ LYS A 50 4.901 -8.199 7.713 1.00 0.00 N ATOM 0 H LYS A 50 5.220 -4.017 2.940 1.00 0.00 H new ATOM 0 HA LYS A 50 3.822 -6.340 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.900 -3.681 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.847 -4.753 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.913 -6.441 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.740 -4.974 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.546 -6.513 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.611 -5.060 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.846 -6.497 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.740 -6.690 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.093 -8.842 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.426 -8.460 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.529 -8.274 8.539 1.00 0.00 H new ATOM 879 N VAL A 51 1.746 -5.267 3.438 1.00 0.00 N ATOM 880 CA VAL A 51 0.491 -4.578 3.037 1.00 0.00 C ATOM 881 C VAL A 51 -0.729 -5.200 3.710 1.00 0.00 C ATOM 882 O VAL A 51 -0.840 -6.401 3.859 1.00 0.00 O ATOM 883 CB VAL A 51 0.421 -4.728 1.497 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.022 -4.950 1.006 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.940 -3.453 0.855 1.00 0.00 C ATOM 0 H VAL A 51 1.725 -6.286 3.390 1.00 0.00 H new ATOM 0 HA VAL A 51 0.492 -3.532 3.343 1.00 0.00 H new ATOM 0 HB VAL A 51 1.022 -5.594 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.026 -5.050 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.424 -5.858 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.639 -4.099 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.895 -3.548 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.326 -2.610 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.972 -3.285 1.162 1.00 0.00 H new ATOM 895 N ASP A 52 -1.674 -4.375 4.044 1.00 0.00 N ATOM 896 CA ASP A 52 -2.931 -4.880 4.626 1.00 0.00 C ATOM 897 C ASP A 52 -3.896 -5.062 3.461 1.00 0.00 C ATOM 898 O ASP A 52 -4.815 -4.287 3.288 1.00 0.00 O ATOM 899 CB ASP A 52 -3.410 -3.774 5.567 1.00 0.00 C ATOM 900 CG ASP A 52 -4.036 -4.397 6.815 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.221 -4.684 6.778 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.320 -4.576 7.786 1.00 0.00 O ATOM 0 H ASP A 52 -1.624 -3.362 3.936 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.837 -5.822 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.573 -3.134 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.138 -3.141 5.060 1.00 0.00 H new ATOM 907 N VAL A 53 -3.640 -6.052 2.629 1.00 0.00 N ATOM 908 CA VAL A 53 -4.488 -6.299 1.408 1.00 0.00 C ATOM 909 C VAL A 53 -5.962 -5.949 1.661 1.00 0.00 C ATOM 910 O VAL A 53 -6.649 -5.509 0.765 1.00 0.00 O ATOM 911 CB VAL A 53 -4.284 -7.794 1.005 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.959 -8.673 2.216 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.540 -8.353 0.315 1.00 0.00 C ATOM 0 H VAL A 53 -2.868 -6.709 2.746 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.183 -5.651 0.586 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.440 -7.817 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.825 -9.705 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.042 -8.319 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.778 -8.622 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.373 -9.395 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.389 -8.287 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.750 -7.774 -0.584 1.00 0.00 H new ATOM 923 N GLU A 54 -6.450 -6.106 2.858 1.00 0.00 N ATOM 924 CA GLU A 54 -7.867 -5.740 3.110 1.00 0.00 C ATOM 925 C GLU A 54 -8.062 -4.258 2.805 1.00 0.00 C ATOM 926 O GLU A 54 -8.904 -3.881 2.016 1.00 0.00 O ATOM 927 CB GLU A 54 -8.113 -6.035 4.590 1.00 0.00 C ATOM 928 CG GLU A 54 -9.614 -6.206 4.833 1.00 0.00 C ATOM 929 CD GLU A 54 -10.231 -4.855 5.202 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.247 -3.981 4.350 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.678 -4.717 6.329 1.00 0.00 O ATOM 0 H GLU A 54 -5.937 -6.467 3.662 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.564 -6.297 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.581 -6.939 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.725 -5.222 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.094 -6.605 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.783 -6.926 5.634 1.00 0.00 H new ATOM 938 N ARG A 55 -7.276 -3.417 3.409 1.00 0.00 N ATOM 939 CA ARG A 55 -7.398 -1.966 3.135 1.00 0.00 C ATOM 940 C ARG A 55 -6.803 -1.665 1.758 1.00 0.00 C ATOM 941 O ARG A 55 -7.305 -0.850 1.019 1.00 0.00 O ATOM 942 CB ARG A 55 -6.595 -1.282 4.240 1.00 0.00 C ATOM 943 CG ARG A 55 -7.512 -0.984 5.429 1.00 0.00 C ATOM 944 CD ARG A 55 -7.357 0.483 5.833 1.00 0.00 C ATOM 945 NE ARG A 55 -5.894 0.663 6.060 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.350 0.408 7.229 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.062 -0.064 8.222 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.071 0.608 7.398 1.00 0.00 N ATOM 0 H ARG A 55 -6.553 -3.674 4.082 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.431 -1.619 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.771 -1.922 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.156 -0.357 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.549 -1.192 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.261 -1.633 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.721 1.149 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.928 0.708 6.734 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.305 0.990 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.059 -0.241 8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.620 -0.255 9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.503 0.959 6.627 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.639 0.413 8.301 1.00 0.00 H new ATOM 962 N ALA A 56 -5.756 -2.348 1.391 1.00 0.00 N ATOM 963 CA ALA A 56 -5.165 -2.122 0.051 1.00 0.00 C ATOM 964 C ALA A 56 -6.176 -2.599 -0.998 1.00 0.00 C ATOM 965 O ALA A 56 -6.151 -2.179 -2.139 1.00 0.00 O ATOM 966 CB ALA A 56 -3.874 -2.953 0.042 1.00 0.00 C ATOM 0 H ALA A 56 -5.287 -3.051 1.962 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.939 -1.079 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.375 -2.839 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.213 -2.607 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.116 -4.003 0.203 1.00 0.00 H new ATOM 972 N ARG A 57 -7.095 -3.454 -0.606 1.00 0.00 N ATOM 973 CA ARG A 57 -8.121 -3.923 -1.565 1.00 0.00 C ATOM 974 C ARG A 57 -9.326 -2.975 -1.530 1.00 0.00 C ATOM 975 O ARG A 57 -10.066 -2.861 -2.485 1.00 0.00 O ATOM 976 CB ARG A 57 -8.518 -5.323 -1.094 1.00 0.00 C ATOM 977 CG ARG A 57 -9.590 -5.895 -2.022 1.00 0.00 C ATOM 978 CD ARG A 57 -9.451 -7.418 -2.079 1.00 0.00 C ATOM 979 NE ARG A 57 -10.658 -7.943 -1.377 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.828 -7.963 -1.973 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.968 -7.520 -3.198 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.866 -8.431 -1.334 1.00 0.00 N ATOM 0 H ARG A 57 -7.170 -3.840 0.335 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.752 -3.944 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.645 -5.975 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.894 -5.280 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.582 -5.622 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.486 -5.471 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.408 -7.772 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.535 -7.749 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.573 -8.291 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.161 -7.153 -3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.884 -7.542 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.764 -8.777 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.779 -8.450 -1.789 1.00 0.00 H new ATOM 996 N TYR A 58 -9.499 -2.269 -0.441 1.00 0.00 N ATOM 997 CA TYR A 58 -10.619 -1.296 -0.332 1.00 0.00 C ATOM 998 C TYR A 58 -10.423 -0.268 -1.425 1.00 0.00 C ATOM 999 O TYR A 58 -11.306 0.073 -2.190 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.415 -0.667 1.060 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.936 0.761 1.127 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.136 1.104 0.497 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.209 1.739 1.825 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.614 2.418 0.562 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.688 3.053 1.889 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.889 3.393 1.259 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.358 4.690 1.323 1.00 0.00 O ATOM 0 H TYR A 58 -8.903 -2.329 0.385 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.617 -1.722 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.924 -1.273 1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.354 -0.677 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.696 0.353 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.281 1.478 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.542 2.680 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.129 3.805 2.426 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.661 5.306 1.015 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.233 0.213 -1.474 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.862 1.225 -2.473 1.00 0.00 C ATOM 1019 C TRP A 59 -8.985 0.629 -3.858 1.00 0.00 C ATOM 1020 O TRP A 59 -9.656 1.158 -4.720 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.440 1.587 -2.091 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.563 2.371 -0.838 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.139 2.004 0.388 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.228 3.635 -0.685 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.473 3.007 1.287 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.154 4.036 0.664 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.868 4.467 -1.600 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.712 5.240 1.094 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.434 5.677 -1.180 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.355 6.064 0.165 1.00 0.00 C ATOM 0 H TRP A 59 -8.478 -0.060 -0.845 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.496 2.111 -2.490 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.833 0.694 -1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.958 2.171 -2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.626 1.085 0.630 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.245 2.987 2.281 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.928 4.178 -2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.648 5.532 2.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.933 6.314 -1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.791 6.999 0.484 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.395 -0.504 -4.065 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.540 -1.172 -5.382 1.00 0.00 C ATOM 1043 C LEU A 60 -10.037 -1.362 -5.665 1.00 0.00 C ATOM 1044 O LEU A 60 -10.453 -1.519 -6.795 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.841 -2.524 -5.229 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.384 -2.399 -5.673 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.572 -3.560 -5.094 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.313 -2.442 -7.201 1.00 0.00 C ATOM 0 H LEU A 60 -7.819 -0.998 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.109 -0.601 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.889 -2.854 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.351 -3.279 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.975 -1.455 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.533 -3.471 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.623 -3.533 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.981 -4.505 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.274 -2.353 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.722 -3.387 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.892 -1.617 -7.615 1.00 0.00 H new ATOM 1060 N SER A 61 -10.853 -1.338 -4.631 1.00 0.00 N ATOM 1061 CA SER A 61 -12.317 -1.504 -4.830 1.00 0.00 C ATOM 1062 C SER A 61 -12.953 -0.176 -5.261 1.00 0.00 C ATOM 1063 O SER A 61 -14.020 -0.155 -5.843 1.00 0.00 O ATOM 1064 CB SER A 61 -12.864 -1.945 -3.472 1.00 0.00 C ATOM 1065 OG SER A 61 -14.081 -2.652 -3.664 1.00 0.00 O ATOM 0 H SER A 61 -10.560 -1.210 -3.663 1.00 0.00 H new ATOM 0 HA SER A 61 -12.541 -2.230 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.138 -2.579 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.031 -1.077 -2.835 1.00 0.00 H new ATOM 0 HG SER A 61 -14.434 -2.938 -2.796 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.315 0.936 -4.985 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.900 2.239 -5.389 1.00 0.00 C ATOM 1073 C VAL A 62 -12.250 2.718 -6.688 1.00 0.00 C ATOM 1074 O VAL A 62 -12.081 3.898 -6.920 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.609 3.217 -4.234 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.004 2.593 -2.894 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.120 3.583 -4.194 1.00 0.00 C ATOM 0 H VAL A 62 -11.420 0.991 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.972 2.165 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.197 4.119 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.792 3.296 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.069 2.359 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.433 1.678 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.937 4.274 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.527 2.680 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.836 4.055 -5.134 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.884 1.799 -7.528 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.240 2.177 -8.817 1.00 0.00 C ATOM 1089 C GLY A 63 -9.867 2.798 -8.545 1.00 0.00 C ATOM 1090 O GLY A 63 -9.403 3.644 -9.284 1.00 0.00 O ATOM 0 H GLY A 63 -12.002 0.797 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.133 1.298 -9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.870 2.885 -9.356 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.210 2.385 -7.494 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.867 2.953 -7.191 1.00 0.00 C ATOM 1096 C ALA A 64 -6.885 2.571 -8.301 1.00 0.00 C ATOM 1097 O ALA A 64 -6.952 1.492 -8.852 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.456 2.317 -5.862 1.00 0.00 C ATOM 0 H ALA A 64 -9.545 1.682 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.876 4.041 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.473 2.687 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.184 2.577 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.417 1.233 -5.974 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.980 3.446 -8.639 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.004 3.123 -9.718 1.00 0.00 C ATOM 1106 C GLN A 65 -3.618 2.850 -9.119 1.00 0.00 C ATOM 1107 O GLN A 65 -2.889 3.770 -8.806 1.00 0.00 O ATOM 1108 CB GLN A 65 -4.970 4.364 -10.609 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.660 4.051 -11.939 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.605 3.823 -13.023 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.048 4.764 -13.552 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -4.305 2.605 -13.381 1.00 0.00 N ATOM 0 H GLN A 65 -5.873 4.368 -8.217 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.288 2.230 -10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.471 5.196 -10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.939 4.672 -10.784 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.287 3.165 -11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.316 4.874 -12.223 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.772 1.814 -12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.604 2.444 -14.104 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.298 1.586 -8.974 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.986 1.197 -8.408 1.00 0.00 C ATOM 1123 C PRO A 66 -0.895 1.299 -9.478 1.00 0.00 C ATOM 1124 O PRO A 66 -0.997 0.708 -10.535 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.195 -0.255 -7.996 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.292 -0.767 -8.878 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.119 0.416 -9.314 1.00 0.00 C ATOM 0 HA PRO A 66 -1.669 1.833 -7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.282 -0.836 -8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.471 -0.329 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.877 -1.284 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.909 -1.488 -8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.333 0.378 -10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.079 0.441 -8.798 1.00 0.00 H new ATOM 1135 N THR A 67 0.148 2.036 -9.214 1.00 0.00 N ATOM 1136 CA THR A 67 1.238 2.157 -10.227 1.00 0.00 C ATOM 1137 C THR A 67 1.807 0.771 -10.546 1.00 0.00 C ATOM 1138 O THR A 67 1.493 -0.204 -9.893 1.00 0.00 O ATOM 1139 CB THR A 67 2.304 3.057 -9.589 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.465 3.062 -10.407 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.665 2.539 -8.196 1.00 0.00 C ATOM 0 H THR A 67 0.294 2.556 -8.349 1.00 0.00 H new ATOM 0 HA THR A 67 0.882 2.580 -11.166 1.00 0.00 H new ATOM 0 HB THR A 67 1.910 4.069 -9.500 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.147 3.638 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.422 3.185 -7.752 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.775 2.538 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.055 1.524 -8.275 1.00 0.00 H new ATOM 1149 N ASP A 68 2.631 0.672 -11.554 1.00 0.00 N ATOM 1150 CA ASP A 68 3.207 -0.655 -11.923 1.00 0.00 C ATOM 1151 C ASP A 68 3.989 -1.256 -10.751 1.00 0.00 C ATOM 1152 O ASP A 68 4.230 -2.446 -10.700 1.00 0.00 O ATOM 1153 CB ASP A 68 4.138 -0.367 -13.100 1.00 0.00 C ATOM 1154 CG ASP A 68 3.318 -0.259 -14.387 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.301 0.413 -14.364 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.722 -0.850 -15.375 1.00 0.00 O ATOM 0 H ASP A 68 2.931 1.452 -12.139 1.00 0.00 H new ATOM 0 HA ASP A 68 2.432 -1.378 -12.178 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.685 0.560 -12.926 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.879 -1.161 -13.194 1.00 0.00 H new ATOM 1161 N THR A 69 4.389 -0.447 -9.814 1.00 0.00 N ATOM 1162 CA THR A 69 5.159 -0.975 -8.648 1.00 0.00 C ATOM 1163 C THR A 69 4.206 -1.427 -7.541 1.00 0.00 C ATOM 1164 O THR A 69 4.269 -2.543 -7.067 1.00 0.00 O ATOM 1165 CB THR A 69 5.985 0.201 -8.159 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.346 1.028 -9.257 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.247 -0.299 -7.453 1.00 0.00 C ATOM 0 H THR A 69 4.218 0.558 -9.801 1.00 0.00 H new ATOM 0 HA THR A 69 5.772 -1.834 -8.922 1.00 0.00 H new ATOM 0 HB THR A 69 5.389 0.780 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.877 1.786 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.832 0.553 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.966 -0.917 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.843 -0.890 -8.149 1.00 0.00 H new ATOM 1175 N ALA A 70 3.320 -0.563 -7.130 1.00 0.00 N ATOM 1176 CA ALA A 70 2.361 -0.928 -6.062 1.00 0.00 C ATOM 1177 C ALA A 70 1.389 -1.954 -6.608 1.00 0.00 C ATOM 1178 O ALA A 70 0.864 -2.779 -5.886 1.00 0.00 O ATOM 1179 CB ALA A 70 1.637 0.370 -5.706 1.00 0.00 C ATOM 0 H ALA A 70 3.222 0.385 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 70 2.844 -1.360 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.909 0.176 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.361 1.107 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.124 0.754 -6.588 1.00 0.00 H new ATOM 1185 N ARG A 71 1.169 -1.935 -7.893 1.00 0.00 N ATOM 1186 CA ARG A 71 0.263 -2.930 -8.481 1.00 0.00 C ATOM 1187 C ARG A 71 0.956 -4.276 -8.378 1.00 0.00 C ATOM 1188 O ARG A 71 0.349 -5.280 -8.070 1.00 0.00 O ATOM 1189 CB ARG A 71 0.073 -2.520 -9.940 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.696 -3.613 -10.686 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.490 -2.985 -11.833 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.601 -3.101 -13.025 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.364 -4.268 -13.576 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.896 -5.362 -13.092 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.414 -4.338 -14.622 1.00 0.00 N ATOM 0 H ARG A 71 1.581 -1.272 -8.550 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.705 -2.990 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.471 -1.577 -9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.042 -2.357 -10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.003 -4.359 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.370 -4.129 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.434 -3.507 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.733 -1.944 -11.621 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.172 -2.263 -13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.505 -5.315 -12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.702 -6.261 -13.532 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.832 -3.490 -15.004 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.604 -5.241 -15.057 1.00 0.00 H new ATOM 1209 N ARG A 72 2.244 -4.292 -8.603 1.00 0.00 N ATOM 1210 CA ARG A 72 2.982 -5.567 -8.491 1.00 0.00 C ATOM 1211 C ARG A 72 2.973 -6.013 -7.033 1.00 0.00 C ATOM 1212 O ARG A 72 2.794 -7.174 -6.722 1.00 0.00 O ATOM 1213 CB ARG A 72 4.403 -5.266 -8.967 1.00 0.00 C ATOM 1214 CG ARG A 72 4.739 -6.178 -10.148 1.00 0.00 C ATOM 1215 CD ARG A 72 6.256 -6.240 -10.332 1.00 0.00 C ATOM 1216 NE ARG A 72 6.570 -7.694 -10.435 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.177 -8.397 -11.472 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.509 -7.838 -12.451 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.456 -9.670 -11.530 1.00 0.00 N ATOM 0 H ARG A 72 2.806 -3.480 -8.857 1.00 0.00 H new ATOM 0 HA ARG A 72 2.540 -6.367 -9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.487 -4.220 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.113 -5.425 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.343 -7.178 -9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.267 -5.803 -11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.568 -5.704 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.775 -5.782 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 72 7.097 -8.149 -9.690 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.287 -6.843 -12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.211 -8.398 -13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.976 -10.113 -10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.154 -10.222 -12.333 1.00 0.00 H new ATOM 1233 N LEU A 73 3.149 -5.084 -6.135 1.00 0.00 N ATOM 1234 CA LEU A 73 3.133 -5.424 -4.697 1.00 0.00 C ATOM 1235 C LEU A 73 1.715 -5.773 -4.284 1.00 0.00 C ATOM 1236 O LEU A 73 1.500 -6.520 -3.356 1.00 0.00 O ATOM 1237 CB LEU A 73 3.623 -4.168 -3.980 1.00 0.00 C ATOM 1238 CG LEU A 73 4.998 -3.780 -4.522 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.267 -2.304 -4.231 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.065 -4.635 -3.843 1.00 0.00 C ATOM 0 H LEU A 73 3.304 -4.098 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 73 3.761 -6.281 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.917 -3.351 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.680 -4.347 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 73 5.025 -3.945 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.248 -2.030 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.503 -1.693 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.242 -2.135 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.048 -4.362 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.036 -4.466 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.874 -5.688 -4.051 1.00 0.00 H new ATOM 1252 N LEU A 74 0.742 -5.269 -4.989 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.652 -5.623 -4.652 1.00 0.00 C ATOM 1254 C LEU A 74 -0.855 -7.083 -5.041 1.00 0.00 C ATOM 1255 O LEU A 74 -1.613 -7.809 -4.431 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.526 -4.698 -5.495 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.760 -3.394 -4.735 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.285 -2.332 -5.698 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.787 -3.627 -3.625 1.00 0.00 C ATOM 0 H LEU A 74 0.856 -4.632 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.895 -5.509 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.043 -4.494 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.479 -5.180 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.821 -3.056 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.452 -1.401 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.554 -2.165 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.224 -2.671 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.954 -2.696 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.726 -3.965 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.414 -4.386 -2.937 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.135 -7.526 -6.038 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.238 -8.945 -6.453 1.00 0.00 C ATOM 1273 C ARG A 75 0.577 -9.769 -5.468 1.00 0.00 C ATOM 1274 O ARG A 75 0.257 -10.897 -5.148 1.00 0.00 O ATOM 1275 CB ARG A 75 0.400 -9.058 -7.847 1.00 0.00 C ATOM 1276 CG ARG A 75 0.049 -7.853 -8.712 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.412 -8.331 -10.093 1.00 0.00 C ATOM 1278 NE ARG A 75 0.831 -8.796 -10.774 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.874 -8.924 -12.080 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.176 -8.657 -12.819 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.976 -9.325 -12.651 1.00 0.00 N ATOM 0 H ARG A 75 0.519 -6.961 -6.580 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.271 -9.292 -6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.483 -9.136 -7.749 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.057 -9.971 -8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.738 -7.268 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.916 -7.199 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.141 -9.137 -10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.890 -7.525 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 75 1.657 -9.017 -10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.042 -8.345 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.126 -8.761 -13.832 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.797 -9.537 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.017 -9.427 -13.665 1.00 0.00 H new ATOM 1295 N GLN A 76 1.654 -9.194 -5.001 1.00 0.00 N ATOM 1296 CA GLN A 76 2.538 -9.899 -4.052 1.00 0.00 C ATOM 1297 C GLN A 76 1.978 -9.825 -2.641 1.00 0.00 C ATOM 1298 O GLN A 76 2.222 -10.678 -1.811 1.00 0.00 O ATOM 1299 CB GLN A 76 3.855 -9.147 -4.162 1.00 0.00 C ATOM 1300 CG GLN A 76 5.024 -10.101 -3.918 1.00 0.00 C ATOM 1301 CD GLN A 76 5.986 -10.025 -5.103 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.555 -11.021 -5.506 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.194 -8.873 -5.681 1.00 0.00 N ATOM 0 H GLN A 76 1.955 -8.251 -5.246 1.00 0.00 H new ATOM 0 HA GLN A 76 2.643 -10.961 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.944 -8.695 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.881 -8.334 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.541 -9.834 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.658 -11.120 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.716 -8.038 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.835 -8.808 -6.472 1.00 0.00 H new ATOM 1312 N ALA A 77 1.221 -8.815 -2.374 1.00 0.00 N ATOM 1313 CA ALA A 77 0.620 -8.667 -1.025 1.00 0.00 C ATOM 1314 C ALA A 77 -0.561 -9.634 -0.863 1.00 0.00 C ATOM 1315 O ALA A 77 -1.179 -9.701 0.181 1.00 0.00 O ATOM 1316 CB ALA A 77 0.142 -7.216 -0.959 1.00 0.00 C ATOM 0 H ALA A 77 0.987 -8.075 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 77 1.329 -8.896 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.316 -7.028 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.991 -6.547 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.590 -7.038 -1.746 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.883 -10.381 -1.888 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.023 -11.330 -1.791 1.00 0.00 C ATOM 1324 C GLY A 78 -3.331 -10.552 -1.912 1.00 0.00 C ATOM 1325 O GLY A 78 -4.299 -10.841 -1.240 1.00 0.00 O ATOM 0 H GLY A 78 -0.402 -10.372 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.957 -12.079 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.989 -11.863 -0.841 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.365 -9.554 -2.757 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.607 -8.757 -2.902 1.00 0.00 C ATOM 1331 C VAL A 79 -5.419 -9.217 -4.114 1.00 0.00 C ATOM 1332 O VAL A 79 -6.632 -9.147 -4.119 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.155 -7.313 -3.087 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.379 -6.396 -3.095 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.221 -6.901 -1.944 1.00 0.00 C ATOM 0 H VAL A 79 -2.587 -9.262 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.251 -8.874 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.620 -7.226 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.059 -5.363 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.040 -6.679 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.912 -6.492 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.905 -5.868 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.747 -6.991 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.346 -7.551 -1.937 1.00 0.00 H new