USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 297 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 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 0.538 (180deg=0.408) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -60:sc= 0.981 USER MOD Single : A 26 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.880 18.148 -3.641 1.00 0.00 N ATOM 2 CA LEU A 1 -8.391 18.214 -5.026 1.00 0.00 C ATOM 3 C LEU A 1 -7.339 17.134 -5.189 1.00 0.00 C ATOM 4 O LEU A 1 -6.191 17.388 -4.861 1.00 0.00 O ATOM 5 CB LEU A 1 -7.825 19.633 -5.356 1.00 0.00 C ATOM 6 CG LEU A 1 -7.491 19.922 -6.855 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.373 19.013 -7.436 1.00 0.00 C ATOM 8 CD2 LEU A 1 -8.744 19.883 -7.775 1.00 0.00 C ATOM 0 H1 LEU A 1 -9.606 18.878 -3.494 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.292 17.210 -3.463 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.089 18.309 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 1 -9.207 18.044 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.549 20.375 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.918 19.783 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 1 -7.106 20.942 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.198 19.274 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.455 19.157 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -6.681 17.970 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.447 20.091 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.203 18.896 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.461 20.635 -7.445 1.00 0.00 H new ATOM 22 N VAL A 2 -7.707 15.924 -5.679 1.00 0.00 N ATOM 23 CA VAL A 2 -6.720 14.851 -5.813 1.00 0.00 C ATOM 24 C VAL A 2 -7.161 13.738 -6.745 1.00 0.00 C ATOM 25 O VAL A 2 -6.358 13.355 -7.581 1.00 0.00 O ATOM 26 CB VAL A 2 -6.297 14.282 -4.423 1.00 0.00 C ATOM 27 CG1 VAL A 2 -7.470 13.615 -3.657 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.113 13.284 -4.568 1.00 0.00 C ATOM 0 H VAL A 2 -8.652 15.682 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.847 15.311 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.975 15.138 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.112 13.239 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.258 14.349 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.865 12.788 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.837 12.902 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.412 12.455 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.259 13.795 -5.011 1.00 0.00 H new ATOM 38 N GLN A 3 -8.393 13.180 -6.648 1.00 0.00 N ATOM 39 CA GLN A 3 -8.732 12.043 -7.500 1.00 0.00 C ATOM 40 C GLN A 3 -8.600 12.473 -8.945 1.00 0.00 C ATOM 41 O GLN A 3 -9.204 13.471 -9.307 1.00 0.00 O ATOM 42 CB GLN A 3 -10.158 11.469 -7.261 1.00 0.00 C ATOM 43 CG GLN A 3 -10.326 10.833 -5.853 1.00 0.00 C ATOM 44 CD GLN A 3 -9.341 9.711 -5.620 1.00 0.00 C ATOM 45 OE1 GLN A 3 -8.422 9.881 -4.833 1.00 0.00 O ATOM 46 NE2 GLN A 3 -9.499 8.552 -6.297 1.00 0.00 N ATOM 0 H GLN A 3 -9.130 13.490 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.040 11.240 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.890 12.267 -7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.374 10.718 -8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -10.190 11.599 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.342 10.452 -5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.278 8.443 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.840 7.786 -6.158 1.00 0.00 H new ATOM 55 N ARG A 4 -7.809 11.746 -9.769 1.00 0.00 N ATOM 56 CA ARG A 4 -7.544 12.175 -11.144 1.00 0.00 C ATOM 57 C ARG A 4 -6.844 11.034 -11.851 1.00 0.00 C ATOM 58 O ARG A 4 -6.244 10.239 -11.146 1.00 0.00 O ATOM 59 CB ARG A 4 -6.611 13.420 -11.109 1.00 0.00 C ATOM 60 CG ARG A 4 -6.347 14.056 -12.503 1.00 0.00 C ATOM 61 CD ARG A 4 -5.331 15.228 -12.411 1.00 0.00 C ATOM 62 NE ARG A 4 -4.997 15.764 -13.734 1.00 0.00 N ATOM 63 CZ ARG A 4 -4.092 16.698 -13.934 1.00 0.00 C ATOM 64 NH1 ARG A 4 -3.425 17.263 -12.952 1.00 0.00 N ATOM 65 NH2 ARG A 4 -3.842 17.084 -15.165 1.00 0.00 N ATOM 0 H ARG A 4 -7.353 10.873 -9.502 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.467 12.433 -11.662 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.052 14.173 -10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.657 13.133 -10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.966 13.296 -13.185 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.285 14.419 -12.922 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.747 16.022 -11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.422 14.883 -11.918 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.493 15.393 -14.544 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.600 16.981 -11.988 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.732 17.984 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.346 16.661 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.144 17.807 -15.341 1.00 0.00 H new ATOM 79 N GLY A 5 -6.884 10.912 -13.196 1.00 0.00 N ATOM 80 CA GLY A 5 -6.172 9.815 -13.853 1.00 0.00 C ATOM 81 C GLY A 5 -4.788 9.555 -13.297 1.00 0.00 C ATOM 82 O GLY A 5 -4.386 8.402 -13.269 1.00 0.00 O ATOM 0 H GLY A 5 -7.386 11.541 -13.823 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.765 8.905 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.089 10.036 -14.917 1.00 0.00 H new ATOM 86 N ARG A 6 -4.037 10.594 -12.861 1.00 0.00 N ATOM 87 CA ARG A 6 -2.688 10.372 -12.342 1.00 0.00 C ATOM 88 C ARG A 6 -2.783 9.714 -10.983 1.00 0.00 C ATOM 89 O ARG A 6 -2.168 8.679 -10.784 1.00 0.00 O ATOM 90 CB ARG A 6 -1.864 11.684 -12.184 1.00 0.00 C ATOM 91 CG ARG A 6 -1.339 12.284 -13.523 1.00 0.00 C ATOM 92 CD ARG A 6 -2.458 12.737 -14.500 1.00 0.00 C ATOM 93 NE ARG A 6 -1.918 13.448 -15.662 1.00 0.00 N ATOM 94 CZ ARG A 6 -2.670 13.950 -16.620 1.00 0.00 C ATOM 95 NH1 ARG A 6 -3.980 13.847 -16.625 1.00 0.00 N ATOM 96 NH2 ARG A 6 -2.089 14.581 -17.616 1.00 0.00 N ATOM 0 H ARG A 6 -4.342 11.567 -12.862 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.174 9.742 -13.068 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.484 12.429 -11.685 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.014 11.487 -11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.700 13.138 -13.299 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.716 11.541 -14.021 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.020 11.866 -14.837 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.159 13.384 -13.973 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.907 13.560 -15.733 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.456 13.362 -15.865 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.521 14.252 -17.389 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.074 14.675 -17.637 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.654 14.977 -18.368 1.00 0.00 H new ATOM 110 N PHE A 7 -3.535 10.303 -10.024 1.00 0.00 N ATOM 111 CA PHE A 7 -3.579 9.732 -8.678 1.00 0.00 C ATOM 112 C PHE A 7 -4.224 8.365 -8.727 1.00 0.00 C ATOM 113 O PHE A 7 -3.751 7.481 -8.031 1.00 0.00 O ATOM 114 CB PHE A 7 -4.309 10.644 -7.654 1.00 0.00 C ATOM 115 CG PHE A 7 -3.406 11.829 -7.262 1.00 0.00 C ATOM 116 CD1 PHE A 7 -3.381 13.002 -8.025 1.00 0.00 C ATOM 117 CD2 PHE A 7 -2.591 11.747 -6.126 1.00 0.00 C ATOM 118 CE1 PHE A 7 -2.518 14.050 -7.692 1.00 0.00 C ATOM 119 CE2 PHE A 7 -1.718 12.787 -5.795 1.00 0.00 C ATOM 120 CZ PHE A 7 -1.678 13.941 -6.582 1.00 0.00 C ATOM 0 H PHE A 7 -4.097 11.143 -10.159 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.550 9.645 -8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.240 11.013 -8.083 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.573 10.069 -6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.035 13.098 -8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.638 10.869 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.501 14.946 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.075 12.699 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.001 14.745 -6.333 1.00 0.00 H new ATOM 130 N GLY A 8 -5.281 8.146 -9.540 1.00 0.00 N ATOM 131 CA GLY A 8 -5.844 6.803 -9.670 1.00 0.00 C ATOM 132 C GLY A 8 -5.034 6.021 -10.678 1.00 0.00 C ATOM 133 O GLY A 8 -5.595 5.609 -11.680 1.00 0.00 O ATOM 0 H GLY A 8 -5.743 8.865 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.833 6.296 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.885 6.861 -9.988 1.00 0.00 H new ATOM 137 N ARG A 9 -3.720 5.810 -10.419 1.00 0.00 N ATOM 138 CA ARG A 9 -2.858 5.096 -11.365 1.00 0.00 C ATOM 139 C ARG A 9 -1.445 5.037 -10.821 1.00 0.00 C ATOM 140 O ARG A 9 -0.912 3.948 -10.666 1.00 0.00 O ATOM 141 CB ARG A 9 -2.792 5.735 -12.784 1.00 0.00 C ATOM 142 CG ARG A 9 -1.812 4.978 -13.725 1.00 0.00 C ATOM 143 CD ARG A 9 -1.764 5.623 -15.137 1.00 0.00 C ATOM 144 NE ARG A 9 -0.819 4.895 -15.987 1.00 0.00 N ATOM 145 CZ ARG A 9 0.490 5.053 -15.951 1.00 0.00 C ATOM 146 NH1 ARG A 9 1.104 5.882 -15.137 1.00 0.00 N ATOM 147 NH2 ARG A 9 1.229 4.341 -16.774 1.00 0.00 N ATOM 0 H ARG A 9 -3.248 6.124 -9.571 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.303 4.107 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.788 5.737 -13.226 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.479 6.776 -12.698 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.813 4.980 -13.289 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.120 3.936 -13.810 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.757 5.608 -15.587 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.465 6.668 -15.059 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.199 4.221 -16.651 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.564 6.449 -14.484 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.121 5.958 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.787 3.686 -17.419 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.244 4.444 -16.767 1.00 0.00 H new ATOM 161 N PHE A 10 -0.824 6.210 -10.547 1.00 0.00 N ATOM 162 CA PHE A 10 0.575 6.251 -10.124 1.00 0.00 C ATOM 163 C PHE A 10 0.639 6.053 -8.627 1.00 0.00 C ATOM 164 O PHE A 10 1.058 6.965 -7.934 1.00 0.00 O ATOM 165 CB PHE A 10 1.224 7.583 -10.598 1.00 0.00 C ATOM 166 CG PHE A 10 2.735 7.610 -10.319 1.00 0.00 C ATOM 167 CD1 PHE A 10 3.582 6.729 -11.001 1.00 0.00 C ATOM 168 CD2 PHE A 10 3.290 8.507 -9.398 1.00 0.00 C ATOM 169 CE1 PHE A 10 4.947 6.678 -10.706 1.00 0.00 C ATOM 170 CE2 PHE A 10 4.669 8.520 -9.168 1.00 0.00 C ATOM 171 CZ PHE A 10 5.493 7.575 -9.787 1.00 0.00 C ATOM 0 H PHE A 10 -1.273 7.123 -10.614 1.00 0.00 H new ATOM 0 HA PHE A 10 1.149 5.446 -10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.049 7.713 -11.666 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.745 8.421 -10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.176 6.081 -11.764 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.650 9.192 -8.863 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.578 5.946 -11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.099 9.262 -8.511 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.547 7.539 -9.555 1.00 0.00 H new ATOM 181 N LEU A 11 0.213 4.855 -8.154 1.00 0.00 N ATOM 182 CA LEU A 11 0.125 4.526 -6.725 1.00 0.00 C ATOM 183 C LEU A 11 -0.884 3.405 -6.564 1.00 0.00 C ATOM 184 O LEU A 11 -0.624 2.494 -5.792 1.00 0.00 O ATOM 185 CB LEU A 11 -0.145 5.682 -5.713 1.00 0.00 C ATOM 186 CG LEU A 11 -1.441 6.493 -6.014 1.00 0.00 C ATOM 187 CD1 LEU A 11 -2.633 5.974 -5.162 1.00 0.00 C ATOM 188 CD2 LEU A 11 -1.249 8.011 -5.741 1.00 0.00 C ATOM 0 H LEU A 11 -0.079 4.091 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 11 1.136 4.233 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.214 5.264 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.707 6.362 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.659 6.352 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.525 6.557 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.816 4.925 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.395 6.076 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.175 8.541 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.987 8.162 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.450 8.396 -6.374 1.00 0.00 H new ATOM 200 N ARG A 12 -2.033 3.427 -7.286 1.00 0.00 N ATOM 201 CA ARG A 12 -2.953 2.293 -7.237 1.00 0.00 C ATOM 202 C ARG A 12 -2.488 1.207 -8.184 1.00 0.00 C ATOM 203 O ARG A 12 -2.361 0.069 -7.760 1.00 0.00 O ATOM 204 CB ARG A 12 -4.412 2.660 -7.637 1.00 0.00 C ATOM 205 CG ARG A 12 -5.034 3.743 -6.714 1.00 0.00 C ATOM 206 CD ARG A 12 -6.579 3.830 -6.876 1.00 0.00 C ATOM 207 NE ARG A 12 -7.264 2.668 -6.300 1.00 0.00 N ATOM 208 CZ ARG A 12 -8.570 2.502 -6.330 1.00 0.00 C ATOM 209 NH1 ARG A 12 -9.384 3.372 -6.883 1.00 0.00 N ATOM 210 NH2 ARG A 12 -9.083 1.423 -5.784 1.00 0.00 N ATOM 0 H ARG A 12 -2.327 4.197 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.953 1.959 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.423 3.017 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.030 1.763 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.791 3.518 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.590 4.712 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.942 4.738 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.828 3.908 -7.934 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.697 1.948 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.010 4.218 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.390 3.201 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.472 0.733 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.092 1.276 -5.797 1.00 0.00 H new ATOM 224 N LYS A 13 -2.268 1.538 -9.479 1.00 0.00 N ATOM 225 CA LYS A 13 -2.092 0.503 -10.499 1.00 0.00 C ATOM 226 C LYS A 13 -0.635 0.183 -10.741 1.00 0.00 C ATOM 227 O LYS A 13 -0.277 -0.975 -10.601 1.00 0.00 O ATOM 228 CB LYS A 13 -2.750 0.921 -11.845 1.00 0.00 C ATOM 229 CG LYS A 13 -4.278 1.164 -11.690 1.00 0.00 C ATOM 230 CD LYS A 13 -4.912 1.653 -13.020 1.00 0.00 C ATOM 231 CE LYS A 13 -6.451 1.859 -12.918 1.00 0.00 C ATOM 232 NZ LYS A 13 -6.843 2.942 -11.983 1.00 0.00 N ATOM 0 H LYS A 13 -2.211 2.495 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.584 -0.390 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.274 1.828 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.579 0.144 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.764 0.242 -11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.453 1.903 -10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.444 2.592 -13.316 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.699 0.929 -13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.846 2.085 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.914 0.926 -12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.832 3.210 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.743 2.608 -11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.229 3.768 -12.131 1.00 0.00 H new ATOM 246 N ILE A 14 0.208 1.170 -11.126 1.00 0.00 N ATOM 247 CA ILE A 14 1.592 0.863 -11.513 1.00 0.00 C ATOM 248 C ILE A 14 2.479 0.787 -10.286 1.00 0.00 C ATOM 249 O ILE A 14 3.503 0.126 -10.354 1.00 0.00 O ATOM 250 CB ILE A 14 2.125 1.901 -12.561 1.00 0.00 C ATOM 251 CG1 ILE A 14 2.884 1.271 -13.774 1.00 0.00 C ATOM 252 CG2 ILE A 14 2.948 3.039 -11.897 1.00 0.00 C ATOM 253 CD1 ILE A 14 4.185 0.501 -13.425 1.00 0.00 C ATOM 0 H ILE A 14 -0.043 2.158 -11.174 1.00 0.00 H new ATOM 0 HA ILE A 14 1.612 -0.114 -11.995 1.00 0.00 H new ATOM 0 HB ILE A 14 1.225 2.344 -12.987 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.207 0.589 -14.289 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.131 2.066 -14.477 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.295 3.732 -12.663 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.321 3.572 -11.183 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.806 2.612 -11.378 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.630 0.106 -14.338 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.890 1.178 -12.941 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.951 -0.322 -12.750 1.00 0.00 H new ATOM 265 N ARG A 15 2.129 1.461 -9.164 1.00 0.00 N ATOM 266 CA ARG A 15 3.011 1.512 -7.998 1.00 0.00 C ATOM 267 C ARG A 15 2.213 1.030 -6.807 1.00 0.00 C ATOM 268 O ARG A 15 1.915 1.800 -5.909 1.00 0.00 O ATOM 269 CB ARG A 15 3.586 2.959 -7.928 1.00 0.00 C ATOM 270 CG ARG A 15 4.408 3.241 -6.638 1.00 0.00 C ATOM 271 CD ARG A 15 5.171 4.596 -6.695 1.00 0.00 C ATOM 272 NE ARG A 15 4.276 5.752 -6.591 1.00 0.00 N ATOM 273 CZ ARG A 15 4.700 6.991 -6.465 1.00 0.00 C ATOM 274 NH1 ARG A 15 5.974 7.312 -6.474 1.00 0.00 N ATOM 275 NH2 ARG A 15 3.813 7.951 -6.321 1.00 0.00 N ATOM 0 H ARG A 15 1.251 1.968 -9.053 1.00 0.00 H new ATOM 0 HA ARG A 15 3.880 0.856 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.220 3.131 -8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.763 3.671 -7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.738 3.242 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.123 2.433 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.901 4.632 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.728 4.656 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 15 3.270 5.587 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.682 6.586 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.255 8.287 -6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.818 7.728 -6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.120 8.919 -6.222 1.00 0.00 H new ATOM 289 N ARG A 16 1.860 -0.276 -6.791 1.00 0.00 N ATOM 290 CA ARG A 16 1.122 -0.837 -5.659 1.00 0.00 C ATOM 291 C ARG A 16 1.670 -0.355 -4.332 1.00 0.00 C ATOM 292 O ARG A 16 0.875 0.097 -3.521 1.00 0.00 O ATOM 293 CB ARG A 16 1.194 -2.393 -5.635 1.00 0.00 C ATOM 294 CG ARG A 16 0.157 -3.091 -6.561 1.00 0.00 C ATOM 295 CD ARG A 16 -1.281 -3.098 -5.964 1.00 0.00 C ATOM 296 NE ARG A 16 -2.221 -3.875 -6.774 1.00 0.00 N ATOM 297 CZ ARG A 16 -3.465 -4.117 -6.414 1.00 0.00 C ATOM 298 NH1 ARG A 16 -3.990 -3.653 -5.303 1.00 0.00 N ATOM 299 NH2 ARG A 16 -4.217 -4.855 -7.200 1.00 0.00 N ATOM 0 H ARG A 16 2.073 -0.940 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 16 0.093 -0.502 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.196 -2.704 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.042 -2.737 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.142 -2.585 -7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.474 -4.118 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.250 -3.509 -4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.641 -2.073 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.895 -4.249 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.429 -3.077 -4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.959 -3.868 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.834 -5.228 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.183 -5.055 -6.941 1.00 0.00 H new ATOM 313 N PHE A 17 3.000 -0.468 -4.093 1.00 0.00 N ATOM 314 CA PHE A 17 3.553 -0.179 -2.766 1.00 0.00 C ATOM 315 C PHE A 17 4.674 0.834 -2.856 1.00 0.00 C ATOM 316 O PHE A 17 5.228 0.994 -3.931 1.00 0.00 O ATOM 317 CB PHE A 17 4.015 -1.525 -2.147 1.00 0.00 C ATOM 318 CG PHE A 17 4.548 -1.419 -0.708 1.00 0.00 C ATOM 319 CD1 PHE A 17 3.726 -0.938 0.318 1.00 0.00 C ATOM 320 CD2 PHE A 17 5.855 -1.814 -0.400 1.00 0.00 C ATOM 321 CE1 PHE A 17 4.228 -0.777 1.613 1.00 0.00 C ATOM 322 CE2 PHE A 17 6.360 -1.658 0.894 1.00 0.00 C ATOM 323 CZ PHE A 17 5.548 -1.132 1.902 1.00 0.00 C ATOM 0 H PHE A 17 3.688 -0.751 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 17 2.799 0.272 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.177 -2.222 -2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.794 -1.952 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.696 -0.689 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.479 -2.243 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.594 -0.378 2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.378 -1.944 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.939 -1.000 2.900 1.00 0.00 H new ATOM 333 N ARG A 18 4.977 1.530 -1.731 1.00 0.00 N ATOM 334 CA ARG A 18 5.896 2.672 -1.737 1.00 0.00 C ATOM 335 C ARG A 18 7.020 2.571 -2.764 1.00 0.00 C ATOM 336 O ARG A 18 6.940 3.315 -3.731 1.00 0.00 O ATOM 337 CB ARG A 18 6.378 3.177 -0.328 1.00 0.00 C ATOM 338 CG ARG A 18 6.154 2.185 0.857 1.00 0.00 C ATOM 339 CD ARG A 18 6.984 2.532 2.126 1.00 0.00 C ATOM 340 NE ARG A 18 6.550 3.766 2.785 1.00 0.00 N ATOM 341 CZ ARG A 18 7.096 4.230 3.891 1.00 0.00 C ATOM 342 NH1 ARG A 18 8.095 3.630 4.501 1.00 0.00 N ATOM 343 NH2 ARG A 18 6.626 5.339 4.414 1.00 0.00 N ATOM 0 H ARG A 18 4.592 1.311 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 18 5.254 3.480 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.442 3.408 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.862 4.110 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.095 2.176 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.411 1.177 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.914 1.706 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.034 2.626 1.850 1.00 0.00 H new ATOM 0 HE ARG A 18 5.785 4.294 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.481 2.766 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.484 4.029 5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.851 5.826 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.036 5.713 5.270 1.00 0.00 H new ATOM 357 N PRO A 19 8.078 1.723 -2.672 1.00 0.00 N ATOM 358 CA PRO A 19 9.133 1.747 -3.680 1.00 0.00 C ATOM 359 C PRO A 19 8.820 0.866 -4.874 1.00 0.00 C ATOM 360 O PRO A 19 9.674 0.078 -5.250 1.00 0.00 O ATOM 361 CB PRO A 19 10.283 1.180 -2.810 1.00 0.00 C ATOM 362 CG PRO A 19 9.565 0.091 -1.981 1.00 0.00 C ATOM 363 CD PRO A 19 8.254 0.799 -1.564 1.00 0.00 C ATOM 0 HA PRO A 19 9.321 2.714 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.086 0.764 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.728 1.946 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.372 -0.806 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.154 -0.215 -1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.420 0.103 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.349 1.314 -0.608 1.00 0.00 H new ATOM 371 N LYS A 20 7.624 1.002 -5.497 1.00 0.00 N ATOM 372 CA LYS A 20 7.317 0.290 -6.743 1.00 0.00 C ATOM 373 C LYS A 20 7.945 -1.088 -6.810 1.00 0.00 C ATOM 374 O LYS A 20 8.803 -1.312 -7.649 1.00 0.00 O ATOM 375 CB LYS A 20 7.653 1.201 -7.963 1.00 0.00 C ATOM 376 CG LYS A 20 9.034 1.905 -7.848 1.00 0.00 C ATOM 377 CD LYS A 20 9.292 2.846 -9.058 1.00 0.00 C ATOM 378 CE LYS A 20 10.627 3.624 -8.900 1.00 0.00 C ATOM 379 NZ LYS A 20 10.854 4.549 -10.034 1.00 0.00 N ATOM 0 H LYS A 20 6.868 1.595 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 20 6.247 0.085 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.635 0.599 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.875 1.958 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.075 2.480 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.823 1.155 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.318 2.260 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.467 3.552 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.613 4.187 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.455 2.918 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.754 5.052 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.892 4.008 -10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.076 5.237 -10.081 1.00 0.00 H new ATOM 393 N VAL A 21 7.510 -2.015 -5.918 1.00 0.00 N ATOM 394 CA VAL A 21 8.052 -3.383 -5.902 1.00 0.00 C ATOM 395 C VAL A 21 6.974 -4.446 -5.788 1.00 0.00 C ATOM 396 O VAL A 21 7.041 -5.413 -6.532 1.00 0.00 O ATOM 397 CB VAL A 21 9.149 -3.534 -4.807 1.00 0.00 C ATOM 398 CG1 VAL A 21 8.570 -3.500 -3.365 1.00 0.00 C ATOM 399 CG2 VAL A 21 9.969 -4.839 -5.013 1.00 0.00 C ATOM 0 H VAL A 21 6.795 -1.836 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 21 8.524 -3.550 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 21 9.807 -2.672 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.381 -3.610 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.063 -2.550 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.860 -4.317 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.728 -4.919 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.302 -5.700 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.452 -4.815 -5.990 1.00 0.00 H new ATOM 409 N THR A 22 5.960 -4.317 -4.896 1.00 0.00 N ATOM 410 CA THR A 22 4.861 -5.286 -4.874 1.00 0.00 C ATOM 411 C THR A 22 4.300 -5.412 -6.272 1.00 0.00 C ATOM 412 O THR A 22 3.896 -6.500 -6.651 1.00 0.00 O ATOM 413 CB THR A 22 3.741 -4.867 -3.876 1.00 0.00 C ATOM 414 OG1 THR A 22 4.182 -5.027 -2.514 1.00 0.00 O ATOM 415 CG2 THR A 22 2.452 -5.719 -4.032 1.00 0.00 C ATOM 0 H THR A 22 5.889 -3.570 -4.205 1.00 0.00 H new ATOM 0 HA THR A 22 5.247 -6.247 -4.535 1.00 0.00 H new ATOM 0 HB THR A 22 3.522 -3.824 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.464 -4.757 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.705 -5.384 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.060 -5.604 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.685 -6.768 -3.851 1.00 0.00 H new ATOM 423 N ILE A 23 4.277 -4.310 -7.058 1.00 0.00 N ATOM 424 CA ILE A 23 3.797 -4.391 -8.436 1.00 0.00 C ATOM 425 C ILE A 23 4.307 -5.618 -9.164 1.00 0.00 C ATOM 426 O ILE A 23 3.582 -6.157 -9.985 1.00 0.00 O ATOM 427 CB ILE A 23 4.183 -3.123 -9.259 1.00 0.00 C ATOM 428 CG1 ILE A 23 3.537 -3.117 -10.679 1.00 0.00 C ATOM 429 CG2 ILE A 23 5.725 -2.956 -9.388 1.00 0.00 C ATOM 430 CD1 ILE A 23 1.986 -3.101 -10.643 1.00 0.00 C ATOM 0 H ILE A 23 4.579 -3.382 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 23 2.712 -4.460 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 23 3.786 -2.277 -8.698 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.891 -2.245 -11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.873 -3.997 -11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.947 -2.061 -9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.165 -2.863 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.145 -3.827 -9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.598 -3.097 -11.662 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.625 -3.987 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.643 -2.207 -10.121 1.00 0.00 H new ATOM 442 N THR A 24 5.549 -6.087 -8.904 1.00 0.00 N ATOM 443 CA THR A 24 6.048 -7.250 -9.633 1.00 0.00 C ATOM 444 C THR A 24 5.329 -8.505 -9.183 1.00 0.00 C ATOM 445 O THR A 24 4.992 -9.312 -10.035 1.00 0.00 O ATOM 446 CB THR A 24 7.593 -7.407 -9.506 1.00 0.00 C ATOM 447 OG1 THR A 24 8.014 -7.506 -8.135 1.00 0.00 O ATOM 448 CG2 THR A 24 8.339 -6.197 -10.129 1.00 0.00 C ATOM 0 H THR A 24 6.194 -5.689 -8.221 1.00 0.00 H new ATOM 0 HA THR A 24 5.837 -7.090 -10.690 1.00 0.00 H new ATOM 0 HB THR A 24 7.840 -8.325 -10.039 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.744 -6.698 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.415 -6.339 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.086 -6.118 -11.186 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.041 -5.283 -9.616 1.00 0.00 H new ATOM 456 N ILE A 25 5.085 -8.706 -7.864 1.00 0.00 N ATOM 457 CA ILE A 25 4.481 -9.964 -7.412 1.00 0.00 C ATOM 458 C ILE A 25 2.988 -9.981 -7.648 1.00 0.00 C ATOM 459 O ILE A 25 2.473 -11.043 -7.959 1.00 0.00 O ATOM 460 CB ILE A 25 4.800 -10.345 -5.928 1.00 0.00 C ATOM 461 CG1 ILE A 25 4.002 -9.487 -4.900 1.00 0.00 C ATOM 462 CG2 ILE A 25 6.334 -10.291 -5.673 1.00 0.00 C ATOM 463 CD1 ILE A 25 4.296 -9.852 -3.421 1.00 0.00 C ATOM 0 H ILE A 25 5.292 -8.034 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 25 4.954 -10.730 -8.027 1.00 0.00 H new ATOM 0 HB ILE A 25 4.466 -11.371 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.237 -8.434 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.935 -9.608 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.540 -10.558 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.838 -10.994 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.700 -9.283 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.705 -9.214 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.034 -10.895 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.356 -9.704 -3.213 1.00 0.00 H new ATOM 475 N GLN A 26 2.264 -8.845 -7.498 1.00 0.00 N ATOM 476 CA GLN A 26 0.803 -8.894 -7.603 1.00 0.00 C ATOM 477 C GLN A 26 0.365 -9.591 -8.871 1.00 0.00 C ATOM 478 O GLN A 26 -0.667 -10.243 -8.852 1.00 0.00 O ATOM 479 CB GLN A 26 0.119 -7.497 -7.509 1.00 0.00 C ATOM 480 CG GLN A 26 0.351 -6.625 -8.773 1.00 0.00 C ATOM 481 CD GLN A 26 -0.443 -7.057 -9.986 1.00 0.00 C ATOM 482 OE1 GLN A 26 -1.515 -7.617 -9.832 1.00 0.00 O ATOM 483 NE2 GLN A 26 0.055 -6.797 -11.217 1.00 0.00 N ATOM 0 H GLN A 26 2.657 -7.922 -7.311 1.00 0.00 H new ATOM 0 HA GLN A 26 0.474 -9.469 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.952 -7.632 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.500 -6.969 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.098 -5.591 -8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.412 -6.644 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.955 -6.327 -11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.470 -7.071 -12.048 1.00 0.00 H new ATOM 492 N GLY A 27 1.125 -9.468 -9.986 1.00 0.00 N ATOM 493 CA GLY A 27 0.711 -10.126 -11.221 1.00 0.00 C ATOM 494 C GLY A 27 0.479 -11.596 -10.975 1.00 0.00 C ATOM 495 O GLY A 27 -0.612 -12.076 -11.238 1.00 0.00 O ATOM 0 H GLY A 27 1.994 -8.937 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.201 -9.665 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.476 -9.994 -11.986 1.00 0.00 H new ATOM 499 N SER A 28 1.499 -12.326 -10.466 1.00 0.00 N ATOM 500 CA SER A 28 1.309 -13.750 -10.200 1.00 0.00 C ATOM 501 C SER A 28 0.538 -13.903 -8.907 1.00 0.00 C ATOM 502 O SER A 28 -0.523 -14.508 -8.937 1.00 0.00 O ATOM 503 CB SER A 28 2.646 -14.536 -10.140 1.00 0.00 C ATOM 504 OG SER A 28 3.319 -14.521 -11.410 1.00 0.00 O ATOM 0 H SER A 28 2.424 -11.960 -10.242 1.00 0.00 H new ATOM 0 HA SER A 28 0.747 -14.178 -11.030 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.293 -14.100 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.451 -15.566 -9.841 1.00 0.00 H new ATOM 0 HG SER A 28 4.158 -15.022 -11.341 1.00 0.00 H new ATOM 510 N ALA A 29 1.054 -13.361 -7.778 1.00 0.00 N ATOM 511 CA ALA A 29 0.370 -13.455 -6.485 1.00 0.00 C ATOM 512 C ALA A 29 0.275 -14.881 -5.980 1.00 0.00 C ATOM 513 O ALA A 29 0.923 -15.186 -4.991 1.00 0.00 O ATOM 514 CB ALA A 29 -1.017 -12.757 -6.471 1.00 0.00 C ATOM 0 H ALA A 29 1.940 -12.857 -7.746 1.00 0.00 H new ATOM 0 HA ALA A 29 1.001 -12.904 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.468 -12.864 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.894 -11.699 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.664 -13.217 -7.218 1.00 0.00 H new ATOM 520 N ARG A 30 -0.532 -15.766 -6.613 1.00 0.00 N ATOM 521 CA ARG A 30 -0.732 -17.110 -6.072 1.00 0.00 C ATOM 522 C ARG A 30 -1.197 -16.960 -4.641 1.00 0.00 C ATOM 523 O ARG A 30 -0.574 -17.504 -3.743 1.00 0.00 O ATOM 524 CB ARG A 30 0.537 -17.993 -6.220 1.00 0.00 C ATOM 525 CG ARG A 30 1.060 -17.992 -7.682 1.00 0.00 C ATOM 526 CD ARG A 30 2.186 -19.044 -7.878 1.00 0.00 C ATOM 527 NE ARG A 30 2.720 -18.967 -9.241 1.00 0.00 N ATOM 528 CZ ARG A 30 3.644 -18.110 -9.633 1.00 0.00 C ATOM 529 NH1 ARG A 30 4.173 -17.202 -8.845 1.00 0.00 N ATOM 530 NH2 ARG A 30 4.058 -18.163 -10.879 1.00 0.00 N ATOM 0 H ARG A 30 -1.039 -15.571 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.496 -17.641 -6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.317 -17.627 -5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.309 -19.014 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.238 -18.205 -8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.437 -17.001 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.985 -18.871 -7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.796 -20.044 -7.688 1.00 0.00 H new ATOM 0 HE ARG A 30 2.353 -19.620 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.872 -17.133 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.885 -16.566 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.666 -18.855 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.771 -17.512 -11.208 1.00 0.00 H new ATOM 544 N PHE A 31 -2.295 -16.193 -4.434 1.00 0.00 N ATOM 545 CA PHE A 31 -2.774 -15.919 -3.081 1.00 0.00 C ATOM 546 C PHE A 31 -1.651 -15.292 -2.289 1.00 0.00 C ATOM 547 O PHE A 31 -1.308 -14.146 -2.531 1.00 0.00 O ATOM 548 CB PHE A 31 -3.362 -17.198 -2.425 1.00 0.00 C ATOM 549 CG PHE A 31 -4.046 -16.848 -1.094 1.00 0.00 C ATOM 550 CD1 PHE A 31 -5.324 -16.280 -1.100 1.00 0.00 C ATOM 551 CD2 PHE A 31 -3.410 -17.091 0.130 1.00 0.00 C ATOM 552 CE1 PHE A 31 -5.956 -15.941 0.100 1.00 0.00 C ATOM 553 CE2 PHE A 31 -4.035 -16.743 1.332 1.00 0.00 C ATOM 554 CZ PHE A 31 -5.310 -16.168 1.318 1.00 0.00 C ATOM 555 OXT PHE A 31 -1.076 -15.911 -1.408 1.00 0.00 O ATOM 0 H PHE A 31 -2.848 -15.766 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.600 -15.208 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.080 -17.664 -3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.568 -17.925 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.827 -16.102 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.432 -17.549 0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.943 -15.504 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.533 -16.918 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.794 -15.900 2.246 1.00 0.00 H new TER 565 PHE A 31