USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=3 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 K(o=0,f=-1.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.15) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.070 9.042 -7.126 1.00 0.00 N ATOM 2 CA LEU A 1 -9.726 10.048 -7.975 1.00 0.00 C ATOM 3 C LEU A 1 -8.703 11.100 -8.363 1.00 0.00 C ATOM 4 O LEU A 1 -8.710 12.177 -7.787 1.00 0.00 O ATOM 5 CB LEU A 1 -10.959 10.668 -7.246 1.00 0.00 C ATOM 6 CG LEU A 1 -11.765 11.723 -8.067 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.415 11.119 -9.344 1.00 0.00 C ATOM 8 CD2 LEU A 1 -12.868 12.349 -7.169 1.00 0.00 C ATOM 0 H1 LEU A 1 -9.761 8.314 -6.853 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.290 8.599 -7.652 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.694 9.501 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.106 9.580 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.635 9.861 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.616 11.136 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.059 12.487 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.963 11.897 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -11.637 10.715 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.101 10.321 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -13.430 13.085 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -13.543 11.566 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -12.405 12.835 -6.310 1.00 0.00 H new ATOM 22 N VAL A 2 -7.807 10.789 -9.331 1.00 0.00 N ATOM 23 CA VAL A 2 -6.782 11.744 -9.762 1.00 0.00 C ATOM 24 C VAL A 2 -7.127 12.268 -11.139 1.00 0.00 C ATOM 25 O VAL A 2 -7.269 13.472 -11.288 1.00 0.00 O ATOM 26 CB VAL A 2 -5.375 11.075 -9.747 1.00 0.00 C ATOM 27 CG1 VAL A 2 -4.269 12.042 -10.253 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.033 10.573 -8.316 1.00 0.00 C ATOM 0 H VAL A 2 -7.781 9.893 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.754 12.584 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.408 10.225 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.304 11.536 -10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.492 12.346 -11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.235 12.923 -9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.047 10.108 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.034 11.416 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.778 9.843 -7.999 1.00 0.00 H new ATOM 38 N GLN A 3 -7.252 11.388 -12.162 1.00 0.00 N ATOM 39 CA GLN A 3 -7.422 11.860 -13.538 1.00 0.00 C ATOM 40 C GLN A 3 -7.808 10.711 -14.452 1.00 0.00 C ATOM 41 O GLN A 3 -8.837 10.797 -15.102 1.00 0.00 O ATOM 42 CB GLN A 3 -6.095 12.521 -14.010 1.00 0.00 C ATOM 43 CG GLN A 3 -6.098 12.873 -15.523 1.00 0.00 C ATOM 44 CD GLN A 3 -4.819 13.551 -15.959 1.00 0.00 C ATOM 45 OE1 GLN A 3 -3.909 13.707 -15.160 1.00 0.00 O ATOM 46 NE2 GLN A 3 -4.725 13.964 -17.241 1.00 0.00 N ATOM 0 H GLN A 3 -7.238 10.374 -12.055 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.225 12.596 -13.576 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.922 13.428 -13.432 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.265 11.846 -13.801 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.240 11.962 -16.105 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.944 13.525 -15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.505 13.818 -17.882 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.874 14.422 -17.568 1.00 0.00 H new ATOM 55 N ARG A 4 -6.987 9.635 -14.506 1.00 0.00 N ATOM 56 CA ARG A 4 -7.279 8.476 -15.350 1.00 0.00 C ATOM 57 C ARG A 4 -7.085 7.233 -14.511 1.00 0.00 C ATOM 58 O ARG A 4 -6.500 7.333 -13.445 1.00 0.00 O ATOM 59 CB ARG A 4 -6.309 8.467 -16.571 1.00 0.00 C ATOM 60 CG ARG A 4 -6.954 8.957 -17.898 1.00 0.00 C ATOM 61 CD ARG A 4 -7.874 7.880 -18.543 1.00 0.00 C ATOM 62 NE ARG A 4 -8.386 8.297 -19.851 1.00 0.00 N ATOM 63 CZ ARG A 4 -9.126 7.525 -20.620 1.00 0.00 C ATOM 64 NH1 ARG A 4 -9.490 6.310 -20.275 1.00 0.00 N ATOM 65 NH2 ARG A 4 -9.521 7.984 -21.787 1.00 0.00 N ATOM 0 H ARG A 4 -6.121 9.556 -13.972 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.302 8.514 -15.725 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.449 9.097 -16.343 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.933 7.454 -16.715 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.535 9.859 -17.705 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.168 9.229 -18.602 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.318 6.949 -18.653 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.711 7.674 -17.876 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.157 9.234 -20.183 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.198 5.926 -19.376 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.064 5.751 -20.906 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.254 8.923 -22.083 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.095 7.401 -22.397 1.00 0.00 H new ATOM 79 N GLY A 5 -7.559 6.052 -14.975 1.00 0.00 N ATOM 80 CA GLY A 5 -7.321 4.828 -14.215 1.00 0.00 C ATOM 81 C GLY A 5 -5.834 4.628 -14.046 1.00 0.00 C ATOM 82 O GLY A 5 -5.401 4.243 -12.972 1.00 0.00 O ATOM 0 H GLY A 5 -8.087 5.933 -15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.804 4.892 -13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.758 3.974 -14.732 1.00 0.00 H new ATOM 86 N ARG A 6 -5.046 4.900 -15.111 1.00 0.00 N ATOM 87 CA ARG A 6 -3.593 4.807 -14.999 1.00 0.00 C ATOM 88 C ARG A 6 -3.110 5.652 -13.840 1.00 0.00 C ATOM 89 O ARG A 6 -2.373 5.145 -13.009 1.00 0.00 O ATOM 90 CB ARG A 6 -2.863 5.318 -16.276 1.00 0.00 C ATOM 91 CG ARG A 6 -3.068 4.392 -17.508 1.00 0.00 C ATOM 92 CD ARG A 6 -2.355 4.971 -18.761 1.00 0.00 C ATOM 93 NE ARG A 6 -2.572 4.100 -19.920 1.00 0.00 N ATOM 94 CZ ARG A 6 -3.664 4.101 -20.659 1.00 0.00 C ATOM 95 NH1 ARG A 6 -4.700 4.878 -20.428 1.00 0.00 N ATOM 96 NH2 ARG A 6 -3.727 3.279 -21.684 1.00 0.00 N ATOM 0 H ARG A 6 -5.390 5.178 -16.030 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.363 3.752 -14.853 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.223 6.318 -16.517 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.797 5.404 -16.068 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.678 3.398 -17.290 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.133 4.279 -17.710 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.734 5.971 -18.973 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.287 5.069 -18.567 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.828 3.449 -20.172 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.686 5.526 -19.640 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.517 4.833 -21.037 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.943 2.661 -21.891 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.560 3.260 -22.272 1.00 0.00 H new ATOM 110 N PHE A 7 -3.503 6.948 -13.786 1.00 0.00 N ATOM 111 CA PHE A 7 -2.935 7.851 -12.784 1.00 0.00 C ATOM 112 C PHE A 7 -3.694 7.843 -11.475 1.00 0.00 C ATOM 113 O PHE A 7 -3.260 8.540 -10.571 1.00 0.00 O ATOM 114 CB PHE A 7 -2.803 9.289 -13.360 1.00 0.00 C ATOM 115 CG PHE A 7 -2.339 9.269 -14.829 1.00 0.00 C ATOM 116 CD1 PHE A 7 -1.304 8.426 -15.253 1.00 0.00 C ATOM 117 CD2 PHE A 7 -2.962 10.095 -15.771 1.00 0.00 C ATOM 118 CE1 PHE A 7 -0.992 8.312 -16.610 1.00 0.00 C ATOM 119 CE2 PHE A 7 -2.651 9.989 -17.129 1.00 0.00 C ATOM 120 CZ PHE A 7 -1.678 9.082 -17.554 1.00 0.00 C ATOM 0 H PHE A 7 -4.191 7.372 -14.409 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.939 7.476 -12.549 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.763 9.800 -13.288 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.092 9.858 -12.761 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.742 7.859 -14.525 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.691 10.822 -15.445 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.220 7.628 -16.930 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.163 10.609 -17.850 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.457 8.976 -18.606 1.00 0.00 H new ATOM 130 N GLY A 8 -4.803 7.080 -11.324 1.00 0.00 N ATOM 131 CA GLY A 8 -5.451 6.993 -10.019 1.00 0.00 C ATOM 132 C GLY A 8 -4.571 6.135 -9.145 1.00 0.00 C ATOM 133 O GLY A 8 -3.836 6.672 -8.330 1.00 0.00 O ATOM 0 H GLY A 8 -5.245 6.539 -12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.577 7.985 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.446 6.557 -10.111 1.00 0.00 H new ATOM 137 N ARG A 9 -4.637 4.797 -9.334 1.00 0.00 N ATOM 138 CA ARG A 9 -3.804 3.872 -8.561 1.00 0.00 C ATOM 139 C ARG A 9 -2.388 4.393 -8.360 1.00 0.00 C ATOM 140 O ARG A 9 -2.056 4.735 -7.236 1.00 0.00 O ATOM 141 CB ARG A 9 -3.919 2.430 -9.147 1.00 0.00 C ATOM 142 CG ARG A 9 -3.595 2.282 -10.668 1.00 0.00 C ATOM 143 CD ARG A 9 -4.506 1.245 -11.384 1.00 0.00 C ATOM 144 NE ARG A 9 -4.225 1.179 -12.822 1.00 0.00 N ATOM 145 CZ ARG A 9 -4.958 0.499 -13.677 1.00 0.00 C ATOM 146 NH1 ARG A 9 -5.990 -0.229 -13.311 1.00 0.00 N ATOM 147 NH2 ARG A 9 -4.649 0.544 -14.955 1.00 0.00 N ATOM 0 H ARG A 9 -5.254 4.346 -10.009 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.185 3.806 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.249 1.777 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.933 2.069 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.706 3.252 -11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.553 1.984 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.358 0.261 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.552 1.511 -11.229 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.417 1.688 -13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.252 -0.284 -12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.528 -0.739 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.853 1.099 -15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.206 0.023 -15.633 1.00 0.00 H new ATOM 161 N PHE A 10 -1.549 4.494 -9.416 1.00 0.00 N ATOM 162 CA PHE A 10 -0.260 5.187 -9.328 1.00 0.00 C ATOM 163 C PHE A 10 0.538 5.023 -8.050 1.00 0.00 C ATOM 164 O PHE A 10 1.201 5.979 -7.684 1.00 0.00 O ATOM 165 CB PHE A 10 -0.574 6.682 -9.613 1.00 0.00 C ATOM 166 CG PHE A 10 0.648 7.442 -10.150 1.00 0.00 C ATOM 167 CD1 PHE A 10 1.071 7.219 -11.467 1.00 0.00 C ATOM 168 CD2 PHE A 10 1.340 8.359 -9.352 1.00 0.00 C ATOM 169 CE1 PHE A 10 2.175 7.904 -11.982 1.00 0.00 C ATOM 170 CE2 PHE A 10 2.451 9.037 -9.862 1.00 0.00 C ATOM 171 CZ PHE A 10 2.869 8.812 -11.177 1.00 0.00 C ATOM 0 H PHE A 10 -1.749 4.101 -10.336 1.00 0.00 H new ATOM 0 HA PHE A 10 0.411 4.726 -10.053 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.387 6.749 -10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.922 7.159 -8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.540 6.513 -12.088 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.015 8.544 -8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.491 7.732 -13.000 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.988 9.737 -9.238 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.726 9.339 -11.570 1.00 0.00 H new ATOM 181 N LEU A 11 0.495 3.843 -7.386 1.00 0.00 N ATOM 182 CA LEU A 11 1.262 3.573 -6.161 1.00 0.00 C ATOM 183 C LEU A 11 0.490 2.582 -5.316 1.00 0.00 C ATOM 184 O LEU A 11 1.096 1.676 -4.767 1.00 0.00 O ATOM 185 CB LEU A 11 1.783 4.754 -5.281 1.00 0.00 C ATOM 186 CG LEU A 11 0.677 5.714 -4.737 1.00 0.00 C ATOM 187 CD1 LEU A 11 0.174 5.280 -3.329 1.00 0.00 C ATOM 188 CD2 LEU A 11 1.209 7.173 -4.644 1.00 0.00 C ATOM 0 H LEU A 11 -0.076 3.055 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 11 2.205 3.188 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.332 4.341 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.493 5.338 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.154 5.663 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.594 5.974 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.244 4.275 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.008 5.287 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.422 7.824 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.065 7.206 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.513 7.513 -5.634 1.00 0.00 H new ATOM 200 N ARG A 12 -0.850 2.730 -5.209 1.00 0.00 N ATOM 201 CA ARG A 12 -1.625 1.768 -4.432 1.00 0.00 C ATOM 202 C ARG A 12 -1.632 0.420 -5.119 1.00 0.00 C ATOM 203 O ARG A 12 -1.642 -0.574 -4.410 1.00 0.00 O ATOM 204 CB ARG A 12 -3.088 2.239 -4.201 1.00 0.00 C ATOM 205 CG ARG A 12 -3.158 3.509 -3.306 1.00 0.00 C ATOM 206 CD ARG A 12 -4.624 3.902 -2.981 1.00 0.00 C ATOM 207 NE ARG A 12 -4.641 5.062 -2.083 1.00 0.00 N ATOM 208 CZ ARG A 12 -4.448 4.996 -0.780 1.00 0.00 C ATOM 209 NH1 ARG A 12 -4.209 3.878 -0.133 1.00 0.00 N ATOM 210 NH2 ARG A 12 -4.497 6.111 -0.084 1.00 0.00 N ATOM 0 H ARG A 12 -1.391 3.481 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.143 1.685 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.558 2.447 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.658 1.435 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.615 3.331 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.662 4.338 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.160 4.135 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.140 3.063 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.813 5.980 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.164 2.994 -0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.068 3.893 0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.681 6.998 -0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.351 6.089 0.925 1.00 0.00 H new ATOM 224 N LYS A 13 -1.640 0.357 -6.474 1.00 0.00 N ATOM 225 CA LYS A 13 -1.761 -0.928 -7.168 1.00 0.00 C ATOM 226 C LYS A 13 -0.826 -1.055 -8.354 1.00 0.00 C ATOM 227 O LYS A 13 -1.139 -1.842 -9.234 1.00 0.00 O ATOM 228 CB LYS A 13 -3.232 -1.152 -7.633 1.00 0.00 C ATOM 229 CG LYS A 13 -4.276 -0.625 -6.610 1.00 0.00 C ATOM 230 CD LYS A 13 -5.731 -0.868 -7.094 1.00 0.00 C ATOM 231 CE LYS A 13 -6.782 -0.105 -6.238 1.00 0.00 C ATOM 232 NZ LYS A 13 -6.749 -0.470 -4.803 1.00 0.00 N ATOM 0 H LYS A 13 -1.565 1.168 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.472 -1.696 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.385 -0.654 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.398 -2.217 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.125 -1.118 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.120 0.442 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.820 -0.557 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.947 -1.936 -7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.611 0.967 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.777 -0.307 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.473 0.073 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.941 -1.487 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.810 -0.253 -4.411 1.00 0.00 H new ATOM 246 N ILE A 14 0.316 -0.326 -8.415 1.00 0.00 N ATOM 247 CA ILE A 14 1.244 -0.496 -9.541 1.00 0.00 C ATOM 248 C ILE A 14 2.652 -0.062 -9.167 1.00 0.00 C ATOM 249 O ILE A 14 3.550 -0.879 -9.294 1.00 0.00 O ATOM 250 CB ILE A 14 0.703 0.122 -10.871 1.00 0.00 C ATOM 251 CG1 ILE A 14 1.612 -0.298 -12.063 1.00 0.00 C ATOM 252 CG2 ILE A 14 0.510 1.661 -10.805 1.00 0.00 C ATOM 253 CD1 ILE A 14 1.108 0.195 -13.445 1.00 0.00 C ATOM 0 H ILE A 14 0.603 0.362 -7.718 1.00 0.00 H new ATOM 0 HA ILE A 14 1.313 -1.562 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.297 -0.283 -11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.617 0.090 -11.895 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.689 -1.385 -12.082 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.133 2.022 -11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.204 1.905 -10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.466 2.139 -10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.795 -0.138 -14.223 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.116 -0.214 -13.638 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.058 1.284 -13.447 1.00 0.00 H new ATOM 265 N ARG A 15 2.871 1.184 -8.682 1.00 0.00 N ATOM 266 CA ARG A 15 4.170 1.584 -8.128 1.00 0.00 C ATOM 267 C ARG A 15 5.305 1.498 -9.126 1.00 0.00 C ATOM 268 O ARG A 15 5.744 2.544 -9.582 1.00 0.00 O ATOM 269 CB ARG A 15 4.400 0.812 -6.797 1.00 0.00 C ATOM 270 CG ARG A 15 5.609 1.284 -5.942 1.00 0.00 C ATOM 271 CD ARG A 15 5.551 2.797 -5.581 1.00 0.00 C ATOM 272 NE ARG A 15 6.231 3.645 -6.567 1.00 0.00 N ATOM 273 CZ ARG A 15 6.353 4.950 -6.444 1.00 0.00 C ATOM 274 NH1 ARG A 15 5.856 5.621 -5.429 1.00 0.00 N ATOM 275 NH2 ARG A 15 7.004 5.614 -7.373 1.00 0.00 N ATOM 0 H ARG A 15 2.164 1.919 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 15 4.154 2.649 -7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.497 0.893 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.534 -0.244 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.646 0.699 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.532 1.082 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.509 3.106 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.006 2.950 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 15 6.631 3.199 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.350 5.130 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.977 6.633 -5.378 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.403 5.118 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.110 6.626 -7.297 1.00 0.00 H new ATOM 289 N ARG A 16 5.805 0.295 -9.491 1.00 0.00 N ATOM 290 CA ARG A 16 6.860 0.205 -10.497 1.00 0.00 C ATOM 291 C ARG A 16 8.012 1.099 -10.101 1.00 0.00 C ATOM 292 O ARG A 16 8.429 1.940 -10.882 1.00 0.00 O ATOM 293 CB ARG A 16 6.219 0.491 -11.883 1.00 0.00 C ATOM 294 CG ARG A 16 7.126 0.092 -13.080 1.00 0.00 C ATOM 295 CD ARG A 16 6.399 0.354 -14.427 1.00 0.00 C ATOM 296 NE ARG A 16 7.258 0.001 -15.560 1.00 0.00 N ATOM 297 CZ ARG A 16 8.208 0.777 -16.045 1.00 0.00 C ATOM 298 NH1 ARG A 16 8.512 1.953 -15.545 1.00 0.00 N ATOM 299 NH2 ARG A 16 8.892 0.355 -17.087 1.00 0.00 N ATOM 0 H ARG A 16 5.497 -0.599 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 16 7.302 -0.789 -10.567 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.275 -0.050 -11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.984 1.553 -11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.055 0.661 -13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.395 -0.962 -13.004 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.478 -0.228 -14.468 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.115 1.404 -14.494 1.00 0.00 H new ATOM 0 HE ARG A 16 7.112 -0.906 -16.004 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.002 2.311 -14.737 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.258 2.508 -15.964 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.682 -0.553 -17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.632 0.936 -17.481 1.00 0.00 H new ATOM 313 N PHE A 17 8.536 0.911 -8.865 1.00 0.00 N ATOM 314 CA PHE A 17 9.708 1.677 -8.432 1.00 0.00 C ATOM 315 C PHE A 17 10.914 1.169 -9.196 1.00 0.00 C ATOM 316 O PHE A 17 10.801 0.154 -9.866 1.00 0.00 O ATOM 317 CB PHE A 17 9.986 1.566 -6.896 1.00 0.00 C ATOM 318 CG PHE A 17 9.530 2.756 -6.033 1.00 0.00 C ATOM 319 CD1 PHE A 17 9.873 4.070 -6.379 1.00 0.00 C ATOM 320 CD2 PHE A 17 8.798 2.538 -4.859 1.00 0.00 C ATOM 321 CE1 PHE A 17 9.469 5.147 -5.587 1.00 0.00 C ATOM 322 CE2 PHE A 17 8.473 3.607 -4.018 1.00 0.00 C ATOM 323 CZ PHE A 17 8.779 4.917 -4.394 1.00 0.00 C ATOM 0 H PHE A 17 8.172 0.254 -8.175 1.00 0.00 H new ATOM 0 HA PHE A 17 9.511 2.729 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.497 0.666 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 17 11.058 1.429 -6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.457 4.252 -7.269 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.482 1.538 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.690 6.158 -5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.983 3.419 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.484 5.746 -3.767 1.00 0.00 H new ATOM 333 N ARG A 18 12.080 1.854 -9.101 1.00 0.00 N ATOM 334 CA ARG A 18 13.284 1.364 -9.775 1.00 0.00 C ATOM 335 C ARG A 18 13.534 -0.092 -9.412 1.00 0.00 C ATOM 336 O ARG A 18 13.430 -0.902 -10.319 1.00 0.00 O ATOM 337 CB ARG A 18 14.512 2.304 -9.573 1.00 0.00 C ATOM 338 CG ARG A 18 15.870 1.732 -10.078 1.00 0.00 C ATOM 339 CD ARG A 18 16.065 1.823 -11.620 1.00 0.00 C ATOM 340 NE ARG A 18 15.014 1.160 -12.398 1.00 0.00 N ATOM 341 CZ ARG A 18 14.914 -0.143 -12.559 1.00 0.00 C ATOM 342 NH1 ARG A 18 15.758 -1.006 -12.039 1.00 0.00 N ATOM 343 NH2 ARG A 18 13.913 -0.613 -13.272 1.00 0.00 N ATOM 0 H ARG A 18 12.201 2.721 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 18 13.116 1.390 -10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.318 3.245 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.604 2.533 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.682 2.268 -9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.948 0.688 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.107 2.873 -11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.027 1.382 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 18 14.312 1.749 -12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.542 -0.677 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.629 -2.005 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.236 0.028 -13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.814 -1.619 -13.411 1.00 0.00 H new ATOM 357 N PRO A 19 13.841 -0.532 -8.162 1.00 0.00 N ATOM 358 CA PRO A 19 13.991 -1.963 -7.917 1.00 0.00 C ATOM 359 C PRO A 19 12.713 -2.739 -8.150 1.00 0.00 C ATOM 360 O PRO A 19 12.832 -3.944 -8.295 1.00 0.00 O ATOM 361 CB PRO A 19 14.375 -1.962 -6.416 1.00 0.00 C ATOM 362 CG PRO A 19 13.752 -0.654 -5.880 1.00 0.00 C ATOM 363 CD PRO A 19 14.026 0.352 -7.022 1.00 0.00 C ATOM 0 HA PRO A 19 14.709 -2.444 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.977 -2.836 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 19 15.456 -1.976 -6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.685 -0.764 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.215 -0.340 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.327 1.188 -7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 19 15.030 0.775 -6.977 1.00 0.00 H new ATOM 371 N LYS A 20 11.523 -2.088 -8.189 1.00 0.00 N ATOM 372 CA LYS A 20 10.252 -2.774 -8.445 1.00 0.00 C ATOM 373 C LYS A 20 9.738 -3.277 -7.115 1.00 0.00 C ATOM 374 O LYS A 20 10.518 -3.910 -6.421 1.00 0.00 O ATOM 375 CB LYS A 20 10.257 -3.900 -9.519 1.00 0.00 C ATOM 376 CG LYS A 20 10.805 -3.380 -10.877 1.00 0.00 C ATOM 377 CD LYS A 20 11.050 -4.480 -11.952 1.00 0.00 C ATOM 378 CE LYS A 20 9.774 -5.220 -12.452 1.00 0.00 C ATOM 379 NZ LYS A 20 9.480 -6.470 -11.713 1.00 0.00 N ATOM 0 H LYS A 20 11.428 -1.083 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 20 9.589 -2.038 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.868 -4.734 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.245 -4.281 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.103 -2.650 -11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.743 -2.855 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.544 -4.023 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.740 -5.217 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.919 -4.549 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.892 -5.454 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.619 -6.907 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.278 -7.129 -11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.336 -6.252 -10.706 1.00 0.00 H new ATOM 393 N VAL A 21 8.465 -2.993 -6.733 1.00 0.00 N ATOM 394 CA VAL A 21 7.982 -3.331 -5.393 1.00 0.00 C ATOM 395 C VAL A 21 6.601 -3.951 -5.471 1.00 0.00 C ATOM 396 O VAL A 21 6.483 -5.119 -5.136 1.00 0.00 O ATOM 397 CB VAL A 21 8.032 -2.062 -4.488 1.00 0.00 C ATOM 398 CG1 VAL A 21 7.324 -2.310 -3.127 1.00 0.00 C ATOM 399 CG2 VAL A 21 9.503 -1.624 -4.246 1.00 0.00 C ATOM 0 H VAL A 21 7.775 -2.539 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 21 8.629 -4.080 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 21 7.502 -1.264 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.376 -1.406 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.280 -2.570 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.818 -3.128 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.519 -0.737 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.047 -2.431 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.977 -1.396 -5.201 1.00 0.00 H new ATOM 409 N THR A 22 5.537 -3.219 -5.888 1.00 0.00 N ATOM 410 CA THR A 22 4.211 -3.837 -5.974 1.00 0.00 C ATOM 411 C THR A 22 4.050 -4.475 -7.334 1.00 0.00 C ATOM 412 O THR A 22 3.579 -5.598 -7.388 1.00 0.00 O ATOM 413 CB THR A 22 3.014 -2.880 -5.726 1.00 0.00 C ATOM 414 OG1 THR A 22 2.857 -2.010 -6.857 1.00 0.00 O ATOM 415 CG2 THR A 22 3.197 -2.069 -4.415 1.00 0.00 C ATOM 0 H THR A 22 5.577 -2.236 -6.159 1.00 0.00 H new ATOM 0 HA THR A 22 4.179 -4.567 -5.166 1.00 0.00 H new ATOM 0 HB THR A 22 2.108 -3.475 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.101 -1.406 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.341 -1.409 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.271 -2.754 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.107 -1.473 -4.480 1.00 0.00 H new ATOM 423 N ILE A 23 4.426 -3.795 -8.444 1.00 0.00 N ATOM 424 CA ILE A 23 4.276 -4.387 -9.777 1.00 0.00 C ATOM 425 C ILE A 23 4.574 -5.874 -9.780 1.00 0.00 C ATOM 426 O ILE A 23 3.868 -6.607 -10.453 1.00 0.00 O ATOM 427 CB ILE A 23 5.152 -3.668 -10.856 1.00 0.00 C ATOM 428 CG1 ILE A 23 4.958 -4.229 -12.301 1.00 0.00 C ATOM 429 CG2 ILE A 23 6.659 -3.755 -10.494 1.00 0.00 C ATOM 430 CD1 ILE A 23 3.539 -4.005 -12.885 1.00 0.00 C ATOM 0 H ILE A 23 4.826 -2.857 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 23 3.229 -4.244 -10.042 1.00 0.00 H new ATOM 0 HB ILE A 23 4.812 -2.632 -10.853 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.688 -3.761 -12.961 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.172 -5.298 -12.295 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.247 -3.248 -11.259 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.830 -3.277 -9.529 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.960 -4.801 -10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.489 -4.424 -13.890 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.802 -4.497 -12.250 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.327 -2.937 -12.926 1.00 0.00 H new ATOM 442 N THR A 24 5.601 -6.359 -9.039 1.00 0.00 N ATOM 443 CA THR A 24 5.885 -7.794 -9.052 1.00 0.00 C ATOM 444 C THR A 24 4.773 -8.557 -8.370 1.00 0.00 C ATOM 445 O THR A 24 4.362 -9.574 -8.909 1.00 0.00 O ATOM 446 CB THR A 24 7.277 -8.175 -8.467 1.00 0.00 C ATOM 447 OG1 THR A 24 7.625 -9.520 -8.842 1.00 0.00 O ATOM 448 CG2 THR A 24 7.390 -8.023 -6.927 1.00 0.00 C ATOM 0 H THR A 24 6.217 -5.796 -8.452 1.00 0.00 H new ATOM 0 HA THR A 24 5.930 -8.085 -10.102 1.00 0.00 H new ATOM 0 HB THR A 24 7.977 -7.459 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.503 -9.747 -8.469 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.391 -8.309 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.202 -6.986 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.656 -8.667 -6.443 1.00 0.00 H new ATOM 456 N ILE A 25 4.262 -8.105 -7.198 1.00 0.00 N ATOM 457 CA ILE A 25 3.178 -8.845 -6.544 1.00 0.00 C ATOM 458 C ILE A 25 1.928 -8.721 -7.381 1.00 0.00 C ATOM 459 O ILE A 25 1.133 -9.646 -7.371 1.00 0.00 O ATOM 460 CB ILE A 25 2.933 -8.533 -5.031 1.00 0.00 C ATOM 461 CG1 ILE A 25 2.156 -7.212 -4.730 1.00 0.00 C ATOM 462 CG2 ILE A 25 4.287 -8.560 -4.259 1.00 0.00 C ATOM 463 CD1 ILE A 25 0.610 -7.316 -4.852 1.00 0.00 C ATOM 0 H ILE A 25 4.574 -7.265 -6.710 1.00 0.00 H new ATOM 0 HA ILE A 25 3.503 -9.885 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 25 2.270 -9.324 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.404 -6.884 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.508 -6.438 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.110 -8.342 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.740 -9.547 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.959 -7.810 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.161 -6.349 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.344 -7.609 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.239 -8.063 -4.150 1.00 0.00 H new ATOM 475 N GLN A 26 1.727 -7.603 -8.120 1.00 0.00 N ATOM 476 CA GLN A 26 0.570 -7.512 -9.007 1.00 0.00 C ATOM 477 C GLN A 26 0.677 -8.658 -9.989 1.00 0.00 C ATOM 478 O GLN A 26 -0.299 -9.363 -10.194 1.00 0.00 O ATOM 479 CB GLN A 26 0.482 -6.177 -9.804 1.00 0.00 C ATOM 480 CG GLN A 26 0.338 -4.915 -8.908 1.00 0.00 C ATOM 481 CD GLN A 26 -0.922 -4.950 -8.075 1.00 0.00 C ATOM 482 OE1 GLN A 26 -0.833 -5.138 -6.873 1.00 0.00 O ATOM 483 NE2 GLN A 26 -2.114 -4.776 -8.690 1.00 0.00 N ATOM 0 H GLN A 26 2.335 -6.784 -8.114 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.328 -7.554 -8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.376 -6.073 -10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.369 -6.227 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.204 -4.837 -8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.332 -4.024 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.150 -4.621 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.977 -4.800 -8.146 1.00 0.00 H new ATOM 492 N GLY A 27 1.868 -8.865 -10.596 1.00 0.00 N ATOM 493 CA GLY A 27 2.032 -9.978 -11.527 1.00 0.00 C ATOM 494 C GLY A 27 1.748 -11.289 -10.834 1.00 0.00 C ATOM 495 O GLY A 27 0.982 -12.085 -11.355 1.00 0.00 O ATOM 0 H GLY A 27 2.699 -8.290 -10.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.358 -9.854 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.047 -9.982 -11.924 1.00 0.00 H new ATOM 499 N SER A 28 2.361 -11.529 -9.652 1.00 0.00 N ATOM 500 CA SER A 28 2.115 -12.779 -8.936 1.00 0.00 C ATOM 501 C SER A 28 0.635 -12.984 -8.703 1.00 0.00 C ATOM 502 O SER A 28 0.194 -14.120 -8.751 1.00 0.00 O ATOM 503 CB SER A 28 2.820 -12.788 -7.554 1.00 0.00 C ATOM 504 OG SER A 28 4.198 -12.398 -7.681 1.00 0.00 O ATOM 0 H SER A 28 3.009 -10.888 -9.194 1.00 0.00 H new ATOM 0 HA SER A 28 2.514 -13.580 -9.558 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.306 -12.108 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.758 -13.784 -7.116 1.00 0.00 H new ATOM 0 HG SER A 28 4.624 -12.409 -6.798 1.00 0.00 H new ATOM 510 N ALA A 29 -0.121 -11.891 -8.438 1.00 0.00 N ATOM 511 CA ALA A 29 -1.552 -11.987 -8.152 1.00 0.00 C ATOM 512 C ALA A 29 -1.736 -12.540 -6.754 1.00 0.00 C ATOM 513 O ALA A 29 -2.147 -11.781 -5.890 1.00 0.00 O ATOM 514 CB ALA A 29 -2.383 -12.731 -9.232 1.00 0.00 C ATOM 0 H ALA A 29 0.246 -10.940 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.968 -10.980 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.431 -12.752 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.288 -12.212 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.014 -13.752 -9.336 1.00 0.00 H new ATOM 520 N ARG A 30 -1.436 -13.837 -6.500 1.00 0.00 N ATOM 521 CA ARG A 30 -1.600 -14.394 -5.157 1.00 0.00 C ATOM 522 C ARG A 30 -0.522 -15.419 -4.861 1.00 0.00 C ATOM 523 O ARG A 30 0.299 -15.162 -3.994 1.00 0.00 O ATOM 524 CB ARG A 30 -3.010 -15.022 -4.963 1.00 0.00 C ATOM 525 CG ARG A 30 -4.152 -13.969 -5.035 1.00 0.00 C ATOM 526 CD ARG A 30 -5.536 -14.595 -4.700 1.00 0.00 C ATOM 527 NE ARG A 30 -5.656 -14.992 -3.293 1.00 0.00 N ATOM 528 CZ ARG A 30 -6.700 -15.627 -2.800 1.00 0.00 C ATOM 529 NH1 ARG A 30 -7.748 -15.945 -3.526 1.00 0.00 N ATOM 530 NH2 ARG A 30 -6.698 -15.957 -1.528 1.00 0.00 N ATOM 0 H ARG A 30 -1.088 -14.495 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.501 -13.569 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.173 -15.781 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.048 -15.528 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.942 -13.157 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.182 -13.533 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.321 -13.878 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.698 -15.467 -5.334 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.889 -14.764 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.776 -15.700 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.533 -16.437 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.898 -15.721 -0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.497 -16.449 -1.127 1.00 0.00 H new ATOM 544 N PHE A 31 -0.507 -16.587 -5.547 1.00 0.00 N ATOM 545 CA PHE A 31 0.456 -17.637 -5.209 1.00 0.00 C ATOM 546 C PHE A 31 1.690 -17.477 -6.059 1.00 0.00 C ATOM 547 O PHE A 31 2.761 -17.926 -5.683 1.00 0.00 O ATOM 548 CB PHE A 31 -0.177 -19.036 -5.433 1.00 0.00 C ATOM 549 CG PHE A 31 0.718 -20.133 -4.840 1.00 0.00 C ATOM 550 CD1 PHE A 31 0.614 -20.462 -3.484 1.00 0.00 C ATOM 551 CD2 PHE A 31 1.642 -20.813 -5.643 1.00 0.00 C ATOM 552 CE1 PHE A 31 1.413 -21.471 -2.938 1.00 0.00 C ATOM 553 CE2 PHE A 31 2.442 -21.821 -5.097 1.00 0.00 C ATOM 554 CZ PHE A 31 2.326 -22.153 -3.745 1.00 0.00 C ATOM 555 OXT PHE A 31 1.628 -16.891 -7.128 1.00 0.00 O ATOM 0 H PHE A 31 -1.137 -16.813 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 31 0.732 -17.549 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.163 -19.074 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.318 -19.211 -6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.088 -19.933 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.737 -20.558 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.324 -21.723 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.151 -22.344 -5.722 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.941 -22.935 -3.325 1.00 0.00 H new TER 565 PHE A 31