USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 264 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 10 GLN : amide:sc= 0 X(o=-0.36,f=-0.82) USER MOD Set 1.2: A 13 GLN : amide:sc= -0.363 K(o=-0.36,f=-3.5!) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.043 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 46.150 3.584 30.906 1.00 0.00 N ATOM 2 CA ALA A 1 47.254 2.587 30.810 1.00 0.00 C ATOM 3 C ALA A 1 47.245 1.691 32.051 1.00 0.00 C ATOM 4 O ALA A 1 46.884 2.132 33.128 1.00 0.00 O ATOM 5 CB ALA A 1 48.548 3.408 30.754 1.00 0.00 C ATOM 0 H1 ALA A 1 45.424 3.368 30.193 1.00 0.00 H new ATOM 0 H2 ALA A 1 45.726 3.543 31.855 1.00 0.00 H new ATOM 0 H3 ALA A 1 46.528 4.538 30.737 1.00 0.00 H new ATOM 0 HA ALA A 1 47.153 1.943 29.937 1.00 0.00 H new ATOM 0 HB1 ALA A 1 49.403 2.735 30.683 1.00 0.00 H new ATOM 0 HB2 ALA A 1 48.527 4.062 29.882 1.00 0.00 H new ATOM 0 HB3 ALA A 1 48.636 4.011 31.658 1.00 0.00 H new ATOM 13 N LEU A 2 47.638 0.444 31.906 1.00 0.00 N ATOM 14 CA LEU A 2 47.657 -0.507 33.071 1.00 0.00 C ATOM 15 C LEU A 2 46.243 -0.650 33.661 1.00 0.00 C ATOM 16 O LEU A 2 45.274 -0.177 33.093 1.00 0.00 O ATOM 17 CB LEU A 2 48.619 0.111 34.103 1.00 0.00 C ATOM 18 CG LEU A 2 50.050 -0.410 33.886 1.00 0.00 C ATOM 19 CD1 LEU A 2 50.071 -1.937 33.979 1.00 0.00 C ATOM 20 CD2 LEU A 2 50.557 0.020 32.506 1.00 0.00 C ATOM 0 H LEU A 2 47.949 0.040 31.023 1.00 0.00 H new ATOM 0 HA LEU A 2 47.982 -1.504 32.775 1.00 0.00 H new ATOM 0 HB2 LEU A 2 48.604 1.198 34.017 1.00 0.00 H new ATOM 0 HB3 LEU A 2 48.286 -0.134 35.112 1.00 0.00 H new ATOM 0 HG LEU A 2 50.696 0.008 34.658 1.00 0.00 H new ATOM 0 HD11 LEU A 2 51.088 -2.297 33.824 1.00 0.00 H new ATOM 0 HD12 LEU A 2 49.723 -2.246 34.964 1.00 0.00 H new ATOM 0 HD13 LEU A 2 49.417 -2.357 33.215 1.00 0.00 H new ATOM 0 HD21 LEU A 2 51.571 -0.352 32.359 1.00 0.00 H new ATOM 0 HD22 LEU A 2 49.905 -0.389 31.735 1.00 0.00 H new ATOM 0 HD23 LEU A 2 50.557 1.108 32.441 1.00 0.00 H new ATOM 32 N ALA A 3 46.116 -1.296 34.795 1.00 0.00 N ATOM 33 CA ALA A 3 44.776 -1.465 35.421 1.00 0.00 C ATOM 34 C ALA A 3 44.908 -1.593 36.946 1.00 0.00 C ATOM 35 O ALA A 3 44.777 -0.623 37.662 1.00 0.00 O ATOM 36 CB ALA A 3 44.204 -2.746 34.808 1.00 0.00 C ATOM 0 H ALA A 3 46.889 -1.714 35.313 1.00 0.00 H new ATOM 0 HA ALA A 3 44.126 -0.609 35.239 1.00 0.00 H new ATOM 0 HB1 ALA A 3 43.214 -2.937 35.222 1.00 0.00 H new ATOM 0 HB2 ALA A 3 44.129 -2.630 33.727 1.00 0.00 H new ATOM 0 HB3 ALA A 3 44.861 -3.584 35.038 1.00 0.00 H new ATOM 42 N ARG A 4 45.164 -2.783 37.445 1.00 0.00 N ATOM 43 CA ARG A 4 45.302 -2.991 38.927 1.00 0.00 C ATOM 44 C ARG A 4 44.156 -2.310 39.696 1.00 0.00 C ATOM 45 O ARG A 4 44.346 -1.785 40.779 1.00 0.00 O ATOM 46 CB ARG A 4 46.662 -2.385 39.305 1.00 0.00 C ATOM 47 CG ARG A 4 47.690 -3.512 39.475 1.00 0.00 C ATOM 48 CD ARG A 4 48.865 -3.019 40.330 1.00 0.00 C ATOM 49 NE ARG A 4 49.848 -2.446 39.355 1.00 0.00 N ATOM 50 CZ ARG A 4 50.621 -3.230 38.634 1.00 0.00 C ATOM 51 NH1 ARG A 4 50.534 -4.533 38.728 1.00 0.00 N ATOM 52 NH2 ARG A 4 51.484 -2.698 37.809 1.00 0.00 N ATOM 0 H ARG A 4 45.284 -3.626 36.884 1.00 0.00 H new ATOM 0 HA ARG A 4 45.249 -4.048 39.187 1.00 0.00 H new ATOM 0 HB2 ARG A 4 46.991 -1.691 38.532 1.00 0.00 H new ATOM 0 HB3 ARG A 4 46.574 -1.815 40.230 1.00 0.00 H new ATOM 0 HG2 ARG A 4 47.222 -4.376 39.947 1.00 0.00 H new ATOM 0 HG3 ARG A 4 48.050 -3.839 38.499 1.00 0.00 H new ATOM 0 HD2 ARG A 4 48.540 -2.267 41.049 1.00 0.00 H new ATOM 0 HD3 ARG A 4 49.307 -3.836 40.900 1.00 0.00 H new ATOM 0 HE ARG A 4 49.919 -1.434 39.249 1.00 0.00 H new ATOM 0 HH11 ARG A 4 49.860 -4.954 39.367 1.00 0.00 H new ATOM 0 HH12 ARG A 4 51.140 -5.127 38.162 1.00 0.00 H new ATOM 0 HH21 ARG A 4 51.554 -1.684 37.728 1.00 0.00 H new ATOM 0 HH22 ARG A 4 52.088 -3.297 37.246 1.00 0.00 H new ATOM 66 N CYS A 5 42.966 -2.333 39.158 1.00 0.00 N ATOM 67 CA CYS A 5 41.810 -1.710 39.871 1.00 0.00 C ATOM 68 C CYS A 5 40.960 -2.811 40.523 1.00 0.00 C ATOM 69 O CYS A 5 40.447 -3.678 39.841 1.00 0.00 O ATOM 70 CB CYS A 5 41.018 -0.955 38.796 1.00 0.00 C ATOM 71 SG CYS A 5 40.544 -2.076 37.449 1.00 0.00 S ATOM 0 H CYS A 5 42.743 -2.755 38.257 1.00 0.00 H new ATOM 0 HA CYS A 5 42.122 -1.033 40.666 1.00 0.00 H new ATOM 0 HB2 CYS A 5 40.126 -0.511 39.238 1.00 0.00 H new ATOM 0 HB3 CYS A 5 41.619 -0.136 38.401 1.00 0.00 H new ATOM 76 N PRO A 6 40.857 -2.757 41.829 1.00 0.00 N ATOM 77 CA PRO A 6 40.077 -3.785 42.569 1.00 0.00 C ATOM 78 C PRO A 6 38.565 -3.634 42.332 1.00 0.00 C ATOM 79 O PRO A 6 37.899 -4.576 41.964 1.00 0.00 O ATOM 80 CB PRO A 6 40.445 -3.527 44.033 1.00 0.00 C ATOM 81 CG PRO A 6 40.875 -2.096 44.087 1.00 0.00 C ATOM 82 CD PRO A 6 41.447 -1.756 42.732 1.00 0.00 C ATOM 0 HA PRO A 6 40.309 -4.800 42.246 1.00 0.00 H new ATOM 0 HB2 PRO A 6 39.594 -3.707 44.690 1.00 0.00 H new ATOM 0 HB3 PRO A 6 41.246 -4.191 44.360 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.031 -1.448 44.323 1.00 0.00 H new ATOM 0 HG3 PRO A 6 41.620 -1.946 44.869 1.00 0.00 H new ATOM 0 HD2 PRO A 6 41.182 -0.743 42.431 1.00 0.00 H new ATOM 0 HD3 PRO A 6 42.535 -1.814 42.733 1.00 0.00 H new ATOM 90 N GLY A 7 38.016 -2.468 42.551 1.00 0.00 N ATOM 91 CA GLY A 7 36.549 -2.284 42.354 1.00 0.00 C ATOM 92 C GLY A 7 36.269 -1.430 41.119 1.00 0.00 C ATOM 93 O GLY A 7 35.646 -0.392 41.211 1.00 0.00 O ATOM 0 H GLY A 7 38.520 -1.636 42.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 36.068 -3.256 42.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 36.116 -1.810 43.235 1.00 0.00 H new ATOM 97 N CYS A 8 36.706 -1.860 39.962 1.00 0.00 N ATOM 98 CA CYS A 8 36.442 -1.062 38.720 1.00 0.00 C ATOM 99 C CYS A 8 35.428 -1.784 37.815 1.00 0.00 C ATOM 100 O CYS A 8 34.609 -1.157 37.176 1.00 0.00 O ATOM 101 CB CYS A 8 37.799 -0.901 38.014 1.00 0.00 C ATOM 102 SG CYS A 8 38.602 -2.514 37.808 1.00 0.00 S ATOM 0 H CYS A 8 37.231 -2.723 39.821 1.00 0.00 H new ATOM 0 HA CYS A 8 36.009 -0.090 38.957 1.00 0.00 H new ATOM 0 HB2 CYS A 8 37.656 -0.432 37.040 1.00 0.00 H new ATOM 0 HB3 CYS A 8 38.442 -0.240 38.595 1.00 0.00 H new ATOM 107 N GLY A 9 35.474 -3.092 37.766 1.00 0.00 N ATOM 108 CA GLY A 9 34.510 -3.869 36.916 1.00 0.00 C ATOM 109 C GLY A 9 34.443 -3.309 35.485 1.00 0.00 C ATOM 110 O GLY A 9 33.412 -3.371 34.842 1.00 0.00 O ATOM 0 H GLY A 9 36.143 -3.663 38.282 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.813 -4.916 36.885 1.00 0.00 H new ATOM 0 HA3 GLY A 9 33.518 -3.837 37.367 1.00 0.00 H new ATOM 114 N GLN A 10 35.531 -2.779 34.979 1.00 0.00 N ATOM 115 CA GLN A 10 35.535 -2.221 33.586 1.00 0.00 C ATOM 116 C GLN A 10 34.343 -1.268 33.372 1.00 0.00 C ATOM 117 O GLN A 10 33.680 -1.319 32.353 1.00 0.00 O ATOM 118 CB GLN A 10 35.424 -3.441 32.659 1.00 0.00 C ATOM 119 CG GLN A 10 36.658 -4.331 32.815 1.00 0.00 C ATOM 120 CD GLN A 10 36.540 -5.532 31.876 1.00 0.00 C ATOM 121 OE1 GLN A 10 36.561 -5.376 30.672 1.00 0.00 O ATOM 122 NE2 GLN A 10 36.412 -6.726 32.373 1.00 0.00 N ATOM 0 H GLN A 10 36.421 -2.708 35.472 1.00 0.00 H new ATOM 0 HA GLN A 10 36.436 -1.640 33.389 1.00 0.00 H new ATOM 0 HB2 GLN A 10 34.524 -4.008 32.897 1.00 0.00 H new ATOM 0 HB3 GLN A 10 35.330 -3.114 31.624 1.00 0.00 H new ATOM 0 HG2 GLN A 10 37.560 -3.764 32.586 1.00 0.00 H new ATOM 0 HG3 GLN A 10 36.748 -4.670 33.847 1.00 0.00 H new ATOM 0 HE21 GLN A 10 36.394 -6.858 33.384 1.00 0.00 H new ATOM 0 HE22 GLN A 10 36.329 -7.531 31.752 1.00 0.00 H new ATOM 131 N GLY A 11 34.070 -0.408 34.328 1.00 0.00 N ATOM 132 CA GLY A 11 32.919 0.550 34.196 1.00 0.00 C ATOM 133 C GLY A 11 32.950 1.247 32.829 1.00 0.00 C ATOM 134 O GLY A 11 31.958 1.290 32.123 1.00 0.00 O ATOM 0 H GLY A 11 34.596 -0.327 35.198 1.00 0.00 H new ATOM 0 HA2 GLY A 11 31.977 0.014 34.316 1.00 0.00 H new ATOM 0 HA3 GLY A 11 32.965 1.294 34.991 1.00 0.00 H new ATOM 138 N VAL A 12 34.075 1.791 32.452 1.00 0.00 N ATOM 139 CA VAL A 12 34.173 2.481 31.131 1.00 0.00 C ATOM 140 C VAL A 12 35.372 1.925 30.341 1.00 0.00 C ATOM 141 O VAL A 12 36.233 2.658 29.893 1.00 0.00 O ATOM 142 CB VAL A 12 34.341 3.974 31.470 1.00 0.00 C ATOM 143 CG1 VAL A 12 35.688 4.230 32.157 1.00 0.00 C ATOM 144 CG2 VAL A 12 34.263 4.806 30.185 1.00 0.00 C ATOM 0 H VAL A 12 34.934 1.788 33.003 1.00 0.00 H new ATOM 0 HA VAL A 12 33.297 2.325 30.501 1.00 0.00 H new ATOM 0 HB VAL A 12 33.540 4.263 32.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 35.783 5.291 32.387 1.00 0.00 H new ATOM 0 HG12 VAL A 12 35.741 3.653 33.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 36.498 3.928 31.493 1.00 0.00 H new ATOM 0 HG21 VAL A 12 34.382 5.862 30.427 1.00 0.00 H new ATOM 0 HG22 VAL A 12 35.056 4.498 29.504 1.00 0.00 H new ATOM 0 HG23 VAL A 12 33.295 4.650 29.709 1.00 0.00 H new ATOM 154 N GLN A 13 35.433 0.627 30.168 1.00 0.00 N ATOM 155 CA GLN A 13 36.573 0.024 29.412 1.00 0.00 C ATOM 156 C GLN A 13 36.457 0.357 27.916 1.00 0.00 C ATOM 157 O GLN A 13 35.371 0.391 27.358 1.00 0.00 O ATOM 158 CB GLN A 13 36.480 -1.495 29.651 1.00 0.00 C ATOM 159 CG GLN A 13 35.136 -2.042 29.143 1.00 0.00 C ATOM 160 CD GLN A 13 35.362 -3.359 28.393 1.00 0.00 C ATOM 161 OE1 GLN A 13 36.484 -3.708 28.067 1.00 0.00 O ATOM 162 NE2 GLN A 13 34.342 -4.114 28.101 1.00 0.00 N ATOM 0 H GLN A 13 34.744 -0.039 30.517 1.00 0.00 H new ATOM 0 HA GLN A 13 37.534 0.415 29.746 1.00 0.00 H new ATOM 0 HB2 GLN A 13 37.300 -2.000 29.141 1.00 0.00 H new ATOM 0 HB3 GLN A 13 36.587 -1.708 30.715 1.00 0.00 H new ATOM 0 HG2 GLN A 13 34.458 -2.202 29.981 1.00 0.00 H new ATOM 0 HG3 GLN A 13 34.662 -1.314 28.484 1.00 0.00 H new ATOM 0 HE21 GLN A 13 33.401 -3.827 28.371 1.00 0.00 H new ATOM 0 HE22 GLN A 13 34.484 -4.992 27.602 1.00 0.00 H new ATOM 171 N ALA A 14 37.566 0.601 27.263 1.00 0.00 N ATOM 172 CA ALA A 14 37.531 0.927 25.808 1.00 0.00 C ATOM 173 C ALA A 14 38.396 -0.067 25.032 1.00 0.00 C ATOM 174 O ALA A 14 39.523 -0.336 25.402 1.00 0.00 O ATOM 175 CB ALA A 14 38.107 2.341 25.703 1.00 0.00 C ATOM 0 H ALA A 14 38.497 0.588 27.679 1.00 0.00 H new ATOM 0 HA ALA A 14 36.525 0.869 25.392 1.00 0.00 H new ATOM 0 HB1 ALA A 14 38.115 2.654 24.659 1.00 0.00 H new ATOM 0 HB2 ALA A 14 37.492 3.029 26.283 1.00 0.00 H new ATOM 0 HB3 ALA A 14 39.125 2.349 26.092 1.00 0.00 H new ATOM 181 N GLY A 15 37.880 -0.617 23.965 1.00 0.00 N ATOM 182 CA GLY A 15 38.668 -1.595 23.162 1.00 0.00 C ATOM 183 C GLY A 15 39.753 -0.858 22.373 1.00 0.00 C ATOM 184 O GLY A 15 40.924 -1.181 22.460 1.00 0.00 O ATOM 0 H GLY A 15 36.941 -0.429 23.614 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.123 -2.337 23.818 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.011 -2.133 22.479 1.00 0.00 H new ATOM 188 N CYS A 16 39.376 0.134 21.605 1.00 0.00 N ATOM 189 CA CYS A 16 40.385 0.899 20.803 1.00 0.00 C ATOM 190 C CYS A 16 40.467 2.346 21.306 1.00 0.00 C ATOM 191 O CYS A 16 39.480 3.049 21.326 1.00 0.00 O ATOM 192 CB CYS A 16 39.858 0.868 19.367 1.00 0.00 C ATOM 193 SG CYS A 16 39.325 -0.816 18.952 1.00 0.00 S ATOM 0 H CYS A 16 38.412 0.449 21.498 1.00 0.00 H new ATOM 0 HA CYS A 16 41.385 0.471 20.881 1.00 0.00 H new ATOM 0 HB2 CYS A 16 39.024 1.561 19.260 1.00 0.00 H new ATOM 0 HB3 CYS A 16 40.635 1.195 18.676 1.00 0.00 H new ATOM 198 N PRO A 17 41.648 2.743 21.709 1.00 0.00 N ATOM 199 CA PRO A 17 41.852 4.132 22.228 1.00 0.00 C ATOM 200 C PRO A 17 41.786 5.159 21.082 1.00 0.00 C ATOM 201 O PRO A 17 42.791 5.684 20.642 1.00 0.00 O ATOM 202 CB PRO A 17 43.253 4.076 22.842 1.00 0.00 C ATOM 203 CG PRO A 17 43.949 2.958 22.134 1.00 0.00 C ATOM 204 CD PRO A 17 42.897 1.959 21.731 1.00 0.00 C ATOM 0 HA PRO A 17 41.089 4.441 22.943 1.00 0.00 H new ATOM 0 HB2 PRO A 17 43.781 5.019 22.703 1.00 0.00 H new ATOM 0 HB3 PRO A 17 43.205 3.893 23.915 1.00 0.00 H new ATOM 0 HG2 PRO A 17 44.481 3.330 21.258 1.00 0.00 H new ATOM 0 HG3 PRO A 17 44.690 2.494 22.784 1.00 0.00 H new ATOM 0 HD2 PRO A 17 43.113 1.525 20.755 1.00 0.00 H new ATOM 0 HD3 PRO A 17 42.838 1.134 22.441 1.00 0.00 H new ATOM 212 N GLY A 18 40.608 5.446 20.602 1.00 0.00 N ATOM 213 CA GLY A 18 40.469 6.436 19.491 1.00 0.00 C ATOM 214 C GLY A 18 39.666 5.816 18.347 1.00 0.00 C ATOM 215 O GLY A 18 38.781 6.440 17.796 1.00 0.00 O ATOM 0 H GLY A 18 39.732 5.038 20.930 1.00 0.00 H new ATOM 0 HA2 GLY A 18 39.971 7.335 19.852 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.454 6.739 19.135 1.00 0.00 H new ATOM 219 N GLY A 19 39.979 4.605 17.970 1.00 0.00 N ATOM 220 CA GLY A 19 39.246 3.955 16.855 1.00 0.00 C ATOM 221 C GLY A 19 40.071 2.788 16.321 1.00 0.00 C ATOM 222 O GLY A 19 41.285 2.818 16.336 1.00 0.00 O ATOM 0 H GLY A 19 40.715 4.039 18.391 1.00 0.00 H new ATOM 0 HA2 GLY A 19 38.275 3.601 17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.057 4.676 16.060 1.00 0.00 H new ATOM 226 N CYS A 20 39.424 1.762 15.865 1.00 0.00 N ATOM 227 CA CYS A 20 40.156 0.576 15.328 1.00 0.00 C ATOM 228 C CYS A 20 40.049 0.553 13.805 1.00 0.00 C ATOM 229 O CYS A 20 39.314 1.326 13.215 1.00 0.00 O ATOM 230 CB CYS A 20 39.449 -0.646 15.925 1.00 0.00 C ATOM 231 SG CYS A 20 40.420 -1.277 17.319 1.00 0.00 S ATOM 0 H CYS A 20 38.407 1.687 15.838 1.00 0.00 H new ATOM 0 HA CYS A 20 41.215 0.595 15.586 1.00 0.00 H new ATOM 0 HB2 CYS A 20 38.447 -0.374 16.258 1.00 0.00 H new ATOM 0 HB3 CYS A 20 39.334 -1.421 15.167 1.00 0.00 H new ATOM 236 N VAL A 21 40.760 -0.327 13.164 1.00 0.00 N ATOM 237 CA VAL A 21 40.689 -0.405 11.670 1.00 0.00 C ATOM 238 C VAL A 21 39.416 -1.150 11.249 1.00 0.00 C ATOM 239 O VAL A 21 39.473 -2.191 10.627 1.00 0.00 O ATOM 240 CB VAL A 21 41.949 -1.169 11.233 1.00 0.00 C ATOM 241 CG1 VAL A 21 42.130 -1.034 9.722 1.00 0.00 C ATOM 242 CG2 VAL A 21 43.180 -0.576 11.913 1.00 0.00 C ATOM 0 H VAL A 21 41.389 -0.999 13.604 1.00 0.00 H new ATOM 0 HA VAL A 21 40.650 0.580 11.206 1.00 0.00 H new ATOM 0 HB VAL A 21 41.836 -2.217 11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 21 43.024 -1.576 9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 21 41.260 -1.448 9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 21 42.236 0.019 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 44.069 -1.123 11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 21 43.281 0.472 11.633 1.00 0.00 H new ATOM 0 HG23 VAL A 21 43.071 -0.653 12.995 1.00 0.00 H new ATOM 252 N GLU A 22 38.273 -0.624 11.599 1.00 0.00 N ATOM 253 CA GLU A 22 36.992 -1.278 11.241 1.00 0.00 C ATOM 254 C GLU A 22 36.041 -0.246 10.622 1.00 0.00 C ATOM 255 O GLU A 22 34.846 -0.263 10.862 1.00 0.00 O ATOM 256 CB GLU A 22 36.446 -1.779 12.581 1.00 0.00 C ATOM 257 CG GLU A 22 37.094 -3.126 12.941 1.00 0.00 C ATOM 258 CD GLU A 22 36.158 -4.280 12.577 1.00 0.00 C ATOM 259 OE1 GLU A 22 35.194 -4.484 13.291 1.00 0.00 O ATOM 260 OE2 GLU A 22 36.429 -4.948 11.597 1.00 0.00 O ATOM 0 H GLU A 22 38.177 0.244 12.126 1.00 0.00 H new ATOM 0 HA GLU A 22 37.107 -2.081 10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 22 36.650 -1.047 13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 22 35.363 -1.891 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 22 38.040 -3.235 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 22 37.321 -3.155 14.007 1.00 0.00 H new ATOM 267 N GLU A 23 36.565 0.664 9.840 1.00 0.00 N ATOM 268 CA GLU A 23 35.704 1.708 9.218 1.00 0.00 C ATOM 269 C GLU A 23 34.767 1.091 8.169 1.00 0.00 C ATOM 270 O GLU A 23 34.927 -0.058 7.777 1.00 0.00 O ATOM 271 CB GLU A 23 36.684 2.704 8.585 1.00 0.00 C ATOM 272 CG GLU A 23 37.499 3.382 9.693 1.00 0.00 C ATOM 273 CD GLU A 23 38.601 4.235 9.073 1.00 0.00 C ATOM 274 OE1 GLU A 23 39.529 3.663 8.525 1.00 0.00 O ATOM 275 OE2 GLU A 23 38.510 5.446 9.162 1.00 0.00 O ATOM 0 H GLU A 23 37.556 0.727 9.607 1.00 0.00 H new ATOM 0 HA GLU A 23 35.053 2.194 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 23 37.349 2.188 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 23 36.140 3.452 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 23 36.848 4.003 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 23 37.935 2.629 10.350 1.00 0.00 H new ATOM 282 N GLU A 24 33.784 1.837 7.732 1.00 0.00 N ATOM 283 CA GLU A 24 32.812 1.308 6.727 1.00 0.00 C ATOM 284 C GLU A 24 33.467 1.156 5.350 1.00 0.00 C ATOM 285 O GLU A 24 34.460 1.787 5.051 1.00 0.00 O ATOM 286 CB GLU A 24 31.675 2.338 6.668 1.00 0.00 C ATOM 287 CG GLU A 24 32.226 3.718 6.271 1.00 0.00 C ATOM 288 CD GLU A 24 32.148 4.669 7.465 1.00 0.00 C ATOM 289 OE1 GLU A 24 32.843 4.426 8.436 1.00 0.00 O ATOM 290 OE2 GLU A 24 31.396 5.622 7.390 1.00 0.00 O ATOM 0 H GLU A 24 33.612 2.797 8.031 1.00 0.00 H new ATOM 0 HA GLU A 24 32.452 0.319 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 24 30.922 2.018 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 24 31.181 2.401 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 24 33.259 3.625 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 24 31.654 4.121 5.435 1.00 0.00 H new ATOM 297 N ASP A 25 32.896 0.337 4.514 1.00 0.00 N ATOM 298 CA ASP A 25 33.452 0.138 3.145 1.00 0.00 C ATOM 299 C ASP A 25 33.004 1.295 2.240 1.00 0.00 C ATOM 300 O ASP A 25 33.804 2.088 1.793 1.00 0.00 O ATOM 301 CB ASP A 25 32.873 -1.209 2.678 1.00 0.00 C ATOM 302 CG ASP A 25 32.780 -1.258 1.153 1.00 0.00 C ATOM 303 OD1 ASP A 25 33.814 -1.288 0.519 1.00 0.00 O ATOM 304 OD2 ASP A 25 31.673 -1.279 0.645 1.00 0.00 O ATOM 0 H ASP A 25 32.060 -0.209 4.721 1.00 0.00 H new ATOM 0 HA ASP A 25 34.542 0.126 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 25 33.502 -2.024 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 25 31.884 -1.356 3.112 1.00 0.00 H new ATOM 309 N GLY A 26 31.731 1.402 1.982 1.00 0.00 N ATOM 310 CA GLY A 26 31.232 2.508 1.111 1.00 0.00 C ATOM 311 C GLY A 26 29.731 2.328 0.864 1.00 0.00 C ATOM 312 O GLY A 26 29.322 1.769 -0.136 1.00 0.00 O ATOM 0 H GLY A 26 31.012 0.772 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 26 31.420 3.471 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.770 2.509 0.163 1.00 0.00 H new ATOM 316 N GLY A 27 28.904 2.800 1.765 1.00 0.00 N ATOM 317 CA GLY A 27 27.429 2.658 1.583 1.00 0.00 C ATOM 318 C GLY A 27 26.760 2.548 2.953 1.00 0.00 C ATOM 319 O GLY A 27 27.153 1.740 3.773 1.00 0.00 O ATOM 0 H GLY A 27 29.189 3.278 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 27 27.034 3.516 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.208 1.774 0.985 1.00 0.00 H new ATOM 323 N SER A 28 25.760 3.355 3.210 1.00 0.00 N ATOM 324 CA SER A 28 25.077 3.297 4.539 1.00 0.00 C ATOM 325 C SER A 28 23.856 2.360 4.476 1.00 0.00 C ATOM 326 O SER A 28 23.235 2.214 3.437 1.00 0.00 O ATOM 327 CB SER A 28 24.642 4.734 4.830 1.00 0.00 C ATOM 328 OG SER A 28 25.082 5.114 6.128 1.00 0.00 O ATOM 0 H SER A 28 25.389 4.048 2.560 1.00 0.00 H new ATOM 0 HA SER A 28 25.731 2.907 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 25.058 5.409 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 28 23.557 4.816 4.765 1.00 0.00 H new ATOM 0 HG SER A 28 24.803 6.036 6.311 1.00 0.00 H new ATOM 334 N PRO A 29 23.545 1.759 5.608 1.00 0.00 N ATOM 335 CA PRO A 29 22.388 0.830 5.696 1.00 0.00 C ATOM 336 C PRO A 29 21.052 1.590 5.820 1.00 0.00 C ATOM 337 O PRO A 29 20.036 1.010 6.156 1.00 0.00 O ATOM 338 CB PRO A 29 22.672 0.035 6.968 1.00 0.00 C ATOM 339 CG PRO A 29 23.539 0.920 7.812 1.00 0.00 C ATOM 340 CD PRO A 29 24.245 1.890 6.894 1.00 0.00 C ATOM 0 HA PRO A 29 22.286 0.208 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 29 21.747 -0.218 7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 29 23.176 -0.904 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 29 22.937 1.457 8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 29 24.263 0.326 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.187 2.910 7.275 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.303 1.645 6.796 1.00 0.00 H new ATOM 348 N ALA A 30 21.041 2.871 5.553 1.00 0.00 N ATOM 349 CA ALA A 30 19.776 3.651 5.648 1.00 0.00 C ATOM 350 C ALA A 30 19.527 4.427 4.347 1.00 0.00 C ATOM 351 O ALA A 30 18.713 5.332 4.306 1.00 0.00 O ATOM 352 CB ALA A 30 19.992 4.622 6.814 1.00 0.00 C ATOM 0 H ALA A 30 21.860 3.411 5.272 1.00 0.00 H new ATOM 0 HA ALA A 30 18.910 3.008 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 30 19.100 5.234 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 30 20.185 4.058 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 30 20.845 5.266 6.598 1.00 0.00 H new ATOM 358 N GLU A 31 20.221 4.083 3.290 1.00 0.00 N ATOM 359 CA GLU A 31 20.037 4.798 1.996 1.00 0.00 C ATOM 360 C GLU A 31 20.551 3.923 0.847 1.00 0.00 C ATOM 361 O GLU A 31 19.778 3.334 0.116 1.00 0.00 O ATOM 362 CB GLU A 31 20.846 6.111 2.099 1.00 0.00 C ATOM 363 CG GLU A 31 22.030 5.964 3.076 1.00 0.00 C ATOM 364 CD GLU A 31 23.321 6.362 2.366 1.00 0.00 C ATOM 365 OE1 GLU A 31 23.619 7.544 2.331 1.00 0.00 O ATOM 366 OE2 GLU A 31 23.992 5.475 1.869 1.00 0.00 O ATOM 0 H GLU A 31 20.911 3.332 3.271 1.00 0.00 H new ATOM 0 HA GLU A 31 18.987 5.013 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 31 21.218 6.390 1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.194 6.917 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.874 6.594 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.098 4.936 3.431 1.00 0.00 H new ATOM 373 N GLY A 32 21.849 3.826 0.686 1.00 0.00 N ATOM 374 CA GLY A 32 22.412 2.982 -0.413 1.00 0.00 C ATOM 375 C GLY A 32 22.102 1.512 -0.130 1.00 0.00 C ATOM 376 O GLY A 32 21.496 0.832 -0.936 1.00 0.00 O ATOM 0 H GLY A 32 22.542 4.295 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.984 3.278 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.489 3.131 -0.486 1.00 0.00 H new ATOM 380 N CYS A 33 22.510 1.015 1.011 1.00 0.00 N ATOM 381 CA CYS A 33 22.231 -0.417 1.346 1.00 0.00 C ATOM 382 C CYS A 33 20.857 -0.538 2.015 1.00 0.00 C ATOM 383 O CYS A 33 20.748 -0.749 3.211 1.00 0.00 O ATOM 384 CB CYS A 33 23.348 -0.840 2.304 1.00 0.00 C ATOM 385 SG CYS A 33 23.504 -2.646 2.288 1.00 0.00 S ATOM 0 H CYS A 33 23.022 1.536 1.723 1.00 0.00 H new ATOM 0 HA CYS A 33 22.210 -1.052 0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 33 24.290 -0.380 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 33 23.128 -0.492 3.313 1.00 0.00 H new ATOM 390 N ALA A 34 19.806 -0.406 1.245 1.00 0.00 N ATOM 391 CA ALA A 34 18.427 -0.513 1.812 1.00 0.00 C ATOM 392 C ALA A 34 17.475 -1.110 0.770 1.00 0.00 C ATOM 393 O ALA A 34 16.404 -0.583 0.518 1.00 0.00 O ATOM 394 CB ALA A 34 18.027 0.921 2.161 1.00 0.00 C ATOM 0 H ALA A 34 19.845 -0.228 0.241 1.00 0.00 H new ATOM 0 HA ALA A 34 18.385 -1.164 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.023 0.926 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.729 1.328 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.044 1.533 1.259 1.00 0.00 H new ATOM 400 N GLU A 35 17.858 -2.202 0.162 1.00 0.00 N ATOM 401 CA GLU A 35 16.982 -2.838 -0.868 1.00 0.00 C ATOM 402 C GLU A 35 16.378 -4.147 -0.334 1.00 0.00 C ATOM 403 O GLU A 35 16.548 -4.498 0.826 1.00 0.00 O ATOM 404 CB GLU A 35 17.910 -3.121 -2.053 1.00 0.00 C ATOM 405 CG GLU A 35 18.603 -1.820 -2.490 1.00 0.00 C ATOM 406 CD GLU A 35 18.917 -1.879 -3.982 1.00 0.00 C ATOM 407 OE1 GLU A 35 19.719 -2.708 -4.371 1.00 0.00 O ATOM 408 OE2 GLU A 35 18.342 -1.098 -4.720 1.00 0.00 O ATOM 0 H GLU A 35 18.741 -2.682 0.334 1.00 0.00 H new ATOM 0 HA GLU A 35 16.144 -2.198 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.656 -3.866 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 35 17.339 -3.537 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.960 -0.966 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 35 19.522 -1.677 -1.921 1.00 0.00 H new ATOM 415 N ALA A 36 15.674 -4.877 -1.173 1.00 0.00 N ATOM 416 CA ALA A 36 15.060 -6.166 -0.716 1.00 0.00 C ATOM 417 C ALA A 36 16.014 -7.350 -0.928 1.00 0.00 C ATOM 418 O ALA A 36 15.698 -8.473 -0.576 1.00 0.00 O ATOM 419 CB ALA A 36 13.806 -6.331 -1.584 1.00 0.00 C ATOM 0 H ALA A 36 15.500 -4.636 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 36 14.834 -6.146 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.295 -7.255 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.138 -5.485 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.093 -6.370 -2.635 1.00 0.00 H new ATOM 425 N GLU A 37 17.174 -7.114 -1.491 1.00 0.00 N ATOM 426 CA GLU A 37 18.140 -8.229 -1.719 1.00 0.00 C ATOM 427 C GLU A 37 19.441 -7.996 -0.932 1.00 0.00 C ATOM 428 O GLU A 37 20.514 -8.392 -1.345 1.00 0.00 O ATOM 429 CB GLU A 37 18.394 -8.224 -3.228 1.00 0.00 C ATOM 430 CG GLU A 37 17.604 -9.363 -3.885 1.00 0.00 C ATOM 431 CD GLU A 37 16.430 -8.787 -4.681 1.00 0.00 C ATOM 432 OE1 GLU A 37 15.405 -8.518 -4.082 1.00 0.00 O ATOM 433 OE2 GLU A 37 16.576 -8.638 -5.880 1.00 0.00 O ATOM 0 H GLU A 37 17.492 -6.196 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 37 17.752 -9.188 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.095 -7.267 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 37 19.459 -8.343 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.255 -9.937 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.236 -10.050 -3.123 1.00 0.00 H new ATOM 440 N GLY A 38 19.348 -7.362 0.208 1.00 0.00 N ATOM 441 CA GLY A 38 20.560 -7.104 1.035 1.00 0.00 C ATOM 442 C GLY A 38 21.474 -6.116 0.313 1.00 0.00 C ATOM 443 O GLY A 38 21.100 -4.990 0.052 1.00 0.00 O ATOM 0 H GLY A 38 18.476 -7.010 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.271 -6.704 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.091 -8.038 1.220 1.00 0.00 H new ATOM 447 N CYS A 39 22.669 -6.533 -0.016 1.00 0.00 N ATOM 448 CA CYS A 39 23.617 -5.614 -0.726 1.00 0.00 C ATOM 449 C CYS A 39 24.634 -6.404 -1.572 1.00 0.00 C ATOM 450 O CYS A 39 25.710 -5.918 -1.867 1.00 0.00 O ATOM 451 CB CYS A 39 24.341 -4.856 0.390 1.00 0.00 C ATOM 452 SG CYS A 39 23.870 -3.106 0.351 1.00 0.00 S ATOM 0 H CYS A 39 23.032 -7.467 0.174 1.00 0.00 H new ATOM 0 HA CYS A 39 23.091 -4.951 -1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 39 24.089 -5.288 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 39 25.420 -4.954 0.268 1.00 0.00 H new ATOM 457 N LEU A 40 24.304 -7.606 -1.979 1.00 0.00 N ATOM 458 CA LEU A 40 25.257 -8.392 -2.818 1.00 0.00 C ATOM 459 C LEU A 40 24.500 -9.165 -3.913 1.00 0.00 C ATOM 460 O LEU A 40 23.289 -9.201 -3.940 1.00 0.00 O ATOM 461 CB LEU A 40 26.050 -9.357 -1.890 1.00 0.00 C ATOM 462 CG LEU A 40 25.236 -9.893 -0.688 1.00 0.00 C ATOM 463 CD1 LEU A 40 25.164 -8.836 0.418 1.00 0.00 C ATOM 464 CD2 LEU A 40 23.820 -10.302 -1.101 1.00 0.00 C ATOM 0 H LEU A 40 23.422 -8.073 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 40 25.955 -7.722 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.404 -10.202 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.932 -8.839 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 40 25.750 -10.779 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 40 24.589 -9.226 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 40 26.172 -8.590 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 40 24.680 -7.938 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 40 23.280 -10.673 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 40 23.297 -9.438 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 40 23.873 -11.086 -1.856 1.00 0.00 H new ATOM 476 N ARG A 41 25.227 -9.787 -4.821 1.00 0.00 N ATOM 477 CA ARG A 41 24.584 -10.569 -5.932 1.00 0.00 C ATOM 478 C ARG A 41 23.446 -9.764 -6.585 1.00 0.00 C ATOM 479 O ARG A 41 22.428 -10.313 -6.970 1.00 0.00 O ATOM 480 CB ARG A 41 24.040 -11.840 -5.271 1.00 0.00 C ATOM 481 CG ARG A 41 24.546 -13.074 -6.027 1.00 0.00 C ATOM 482 CD ARG A 41 23.534 -13.459 -7.111 1.00 0.00 C ATOM 483 NE ARG A 41 24.267 -13.339 -8.413 1.00 0.00 N ATOM 484 CZ ARG A 41 23.805 -13.911 -9.502 1.00 0.00 C ATOM 485 NH1 ARG A 41 22.681 -14.584 -9.476 1.00 0.00 N ATOM 486 NH2 ARG A 41 24.462 -13.796 -10.620 1.00 0.00 N ATOM 0 H ARG A 41 26.247 -9.785 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 41 25.294 -10.797 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.358 -11.884 -4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.950 -11.823 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 41 25.516 -12.865 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.688 -13.905 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.167 -14.474 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.666 -12.800 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 41 25.136 -12.806 -8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.157 -14.667 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.331 -15.024 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.332 -13.264 -10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.107 -14.238 -11.468 1.00 0.00 H new ATOM 500 N ARG A 42 23.606 -8.475 -6.718 1.00 0.00 N ATOM 501 CA ARG A 42 22.545 -7.643 -7.349 1.00 0.00 C ATOM 502 C ARG A 42 22.845 -7.449 -8.844 1.00 0.00 C ATOM 503 O ARG A 42 22.821 -6.337 -9.348 1.00 0.00 O ATOM 504 CB ARG A 42 22.587 -6.294 -6.598 1.00 0.00 C ATOM 505 CG ARG A 42 21.187 -5.943 -6.086 1.00 0.00 C ATOM 506 CD ARG A 42 20.379 -5.279 -7.216 1.00 0.00 C ATOM 507 NE ARG A 42 20.109 -3.885 -6.745 1.00 0.00 N ATOM 508 CZ ARG A 42 19.941 -2.907 -7.610 1.00 0.00 C ATOM 509 NH1 ARG A 42 20.002 -3.108 -8.902 1.00 0.00 N ATOM 510 NH2 ARG A 42 19.725 -1.708 -7.180 1.00 0.00 N ATOM 0 H ARG A 42 24.433 -7.960 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 42 21.561 -8.107 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.285 -6.353 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 42 22.949 -5.509 -7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 42 20.678 -6.843 -5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 42 21.259 -5.270 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 42 20.940 -5.276 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.450 -5.817 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 42 20.055 -3.691 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 42 20.184 -4.044 -9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.867 -2.329 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.686 -1.525 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.594 -0.944 -7.843 1.00 0.00 H new ATOM 524 N GLU A 43 23.114 -8.517 -9.544 1.00 0.00 N ATOM 525 CA GLU A 43 23.413 -8.423 -10.992 1.00 0.00 C ATOM 526 C GLU A 43 22.733 -9.571 -11.738 1.00 0.00 C ATOM 527 O GLU A 43 22.452 -10.607 -11.165 1.00 0.00 O ATOM 528 CB GLU A 43 24.947 -8.536 -11.106 1.00 0.00 C ATOM 529 CG GLU A 43 25.459 -9.772 -10.336 1.00 0.00 C ATOM 530 CD GLU A 43 25.810 -10.913 -11.299 1.00 0.00 C ATOM 531 OE1 GLU A 43 25.550 -10.786 -12.480 1.00 0.00 O ATOM 532 OE2 GLU A 43 26.322 -11.918 -10.824 1.00 0.00 O ATOM 0 H GLU A 43 23.138 -9.463 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 43 23.048 -7.493 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 43 25.235 -8.609 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 43 25.414 -7.634 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 43 26.338 -9.502 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 43 24.698 -10.107 -9.632 1.00 0.00 H new ATOM 539 N GLY A 44 22.475 -9.392 -13.002 1.00 0.00 N ATOM 540 CA GLY A 44 21.821 -10.473 -13.810 1.00 0.00 C ATOM 541 C GLY A 44 22.199 -10.302 -15.289 1.00 0.00 C ATOM 542 O GLY A 44 21.375 -10.446 -16.171 1.00 0.00 O ATOM 0 H GLY A 44 22.688 -8.539 -13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.139 -11.452 -13.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 20.738 -10.426 -13.692 1.00 0.00 H new ATOM 546 N GLN A 45 23.442 -9.998 -15.559 1.00 0.00 N ATOM 547 CA GLN A 45 23.892 -9.816 -16.973 1.00 0.00 C ATOM 548 C GLN A 45 25.420 -9.961 -17.060 1.00 0.00 C ATOM 549 O GLN A 45 25.872 -10.869 -17.732 1.00 0.00 O ATOM 550 CB GLN A 45 23.446 -8.396 -17.371 1.00 0.00 C ATOM 551 CG GLN A 45 23.712 -7.397 -16.226 1.00 0.00 C ATOM 552 CD GLN A 45 24.553 -6.229 -16.745 1.00 0.00 C ATOM 553 OE1 GLN A 45 24.030 -5.167 -17.042 1.00 0.00 O ATOM 554 NE2 GLN A 45 25.841 -6.378 -16.870 1.00 0.00 N ATOM 555 OXT GLN A 45 26.116 -9.163 -16.451 1.00 0.00 O ATOM 0 H GLN A 45 24.170 -9.867 -14.857 1.00 0.00 H new ATOM 0 HA GLN A 45 23.465 -10.563 -17.641 1.00 0.00 H new ATOM 0 HB2 GLN A 45 23.980 -8.080 -18.267 1.00 0.00 H new ATOM 0 HB3 GLN A 45 22.384 -8.399 -17.618 1.00 0.00 H new ATOM 0 HG2 GLN A 45 22.768 -7.028 -15.826 1.00 0.00 H new ATOM 0 HG3 GLN A 45 24.231 -7.896 -15.408 1.00 0.00 H new ATOM 0 HE21 GLN A 45 26.278 -7.265 -16.622 1.00 0.00 H new ATOM 0 HE22 GLN A 45 26.412 -5.607 -17.216 1.00 0.00 H new TER 564 GLN A 45