USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 506 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0656) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.227) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0736 (180deg=-0.454) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.4! C(o=-1.4!,f=-3.1!) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0136 (180deg=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -0.0165 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.198 -8.198 -14.186 1.00 1.00 N ATOM 2 CA MET A 1 -34.017 -8.333 -15.085 1.00 1.00 C ATOM 3 C MET A 1 -33.311 -6.984 -15.195 1.00 1.00 C ATOM 4 O MET A 1 -32.084 -6.915 -15.138 1.00 1.00 O ATOM 5 CB MET A 1 -34.484 -8.814 -16.461 1.00 1.00 C ATOM 6 CG MET A 1 -33.277 -9.012 -17.382 1.00 1.00 C ATOM 7 SD MET A 1 -33.840 -9.629 -18.990 1.00 1.00 S ATOM 8 CE MET A 1 -34.166 -8.022 -19.756 1.00 1.00 C ATOM 0 H1 MET A 1 -35.602 -9.138 -14.000 1.00 1.00 H new ATOM 0 H2 MET A 1 -34.903 -7.764 -13.288 1.00 1.00 H new ATOM 0 H3 MET A 1 -35.914 -7.598 -14.642 1.00 1.00 H new ATOM 0 HA MET A 1 -33.316 -9.062 -14.679 1.00 1.00 H new ATOM 0 HB2 MET A 1 -35.034 -9.750 -16.361 1.00 1.00 H new ATOM 0 HB3 MET A 1 -35.169 -8.087 -16.897 1.00 1.00 H new ATOM 0 HG2 MET A 1 -32.744 -8.070 -17.508 1.00 1.00 H new ATOM 0 HG3 MET A 1 -32.576 -9.717 -16.935 1.00 1.00 H new ATOM 0 HE1 MET A 1 -34.529 -8.171 -20.773 1.00 1.00 H new ATOM 0 HE2 MET A 1 -34.919 -7.488 -19.176 1.00 1.00 H new ATOM 0 HE3 MET A 1 -33.246 -7.438 -19.781 1.00 1.00 H new ATOM 20 N ARG A 2 -34.089 -5.908 -15.332 1.00 1.00 N ATOM 21 CA ARG A 2 -33.504 -4.569 -15.426 1.00 1.00 C ATOM 22 C ARG A 2 -33.278 -4.010 -14.026 1.00 1.00 C ATOM 23 O ARG A 2 -34.148 -4.107 -13.160 1.00 1.00 O ATOM 24 CB ARG A 2 -34.425 -3.636 -16.220 1.00 1.00 C ATOM 25 CG ARG A 2 -34.574 -4.169 -17.646 1.00 1.00 C ATOM 26 CD ARG A 2 -35.522 -3.266 -18.439 1.00 1.00 C ATOM 27 NE ARG A 2 -36.866 -3.343 -17.881 1.00 1.00 N ATOM 28 CZ ARG A 2 -37.684 -4.342 -18.198 1.00 1.00 C ATOM 29 NH1 ARG A 2 -37.298 -5.268 -19.037 1.00 1.00 N ATOM 30 NH2 ARG A 2 -38.875 -4.400 -17.668 1.00 1.00 N ATOM 0 H ARG A 2 -35.108 -5.935 -15.380 1.00 1.00 H new ATOM 0 HA ARG A 2 -32.549 -4.637 -15.947 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -35.401 -3.573 -15.739 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -34.013 -2.627 -16.237 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -33.600 -4.207 -18.134 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -34.960 -5.188 -17.625 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -35.166 -2.236 -18.410 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -35.536 -3.569 -19.486 1.00 1.00 H new ATOM 0 HE ARG A 2 -37.184 -2.619 -17.237 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -36.367 -5.225 -19.451 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -37.928 -6.033 -19.278 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -39.177 -3.680 -17.012 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -39.504 -5.166 -17.910 1.00 1.00 H new ATOM 44 N ASP A 3 -32.095 -3.446 -13.808 1.00 1.00 N ATOM 45 CA ASP A 3 -31.738 -2.890 -12.504 1.00 1.00 C ATOM 46 C ASP A 3 -32.089 -1.402 -12.425 1.00 1.00 C ATOM 47 O ASP A 3 -32.370 -0.768 -13.441 1.00 1.00 O ATOM 48 CB ASP A 3 -30.242 -3.100 -12.275 1.00 1.00 C ATOM 49 CG ASP A 3 -29.878 -2.795 -10.829 1.00 1.00 C ATOM 50 OD1 ASP A 3 -29.936 -1.638 -10.454 1.00 1.00 O ATOM 51 OD2 ASP A 3 -29.538 -3.724 -10.118 1.00 1.00 O ATOM 0 H ASP A 3 -31.366 -3.361 -14.516 1.00 1.00 H new ATOM 0 HA ASP A 3 -32.307 -3.401 -11.727 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -29.972 -4.128 -12.515 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -29.671 -2.456 -12.944 1.00 1.00 H new ATOM 56 N MET A 4 -32.087 -0.854 -11.207 1.00 1.00 N ATOM 57 CA MET A 4 -32.422 0.559 -10.996 1.00 1.00 C ATOM 58 C MET A 4 -31.184 1.450 -11.130 1.00 1.00 C ATOM 59 O MET A 4 -30.773 1.785 -12.242 1.00 1.00 O ATOM 60 CB MET A 4 -33.047 0.733 -9.607 1.00 1.00 C ATOM 61 CG MET A 4 -33.525 2.178 -9.418 1.00 1.00 C ATOM 62 SD MET A 4 -34.355 2.329 -7.815 1.00 1.00 S ATOM 63 CE MET A 4 -34.683 4.108 -7.888 1.00 1.00 C ATOM 0 H MET A 4 -31.858 -1.364 -10.354 1.00 1.00 H new ATOM 0 HA MET A 4 -33.136 0.863 -11.762 1.00 1.00 H new ATOM 0 HB2 MET A 4 -33.885 0.047 -9.489 1.00 1.00 H new ATOM 0 HB3 MET A 4 -32.317 0.480 -8.838 1.00 1.00 H new ATOM 0 HG2 MET A 4 -32.678 2.863 -9.468 1.00 1.00 H new ATOM 0 HG3 MET A 4 -34.207 2.456 -10.221 1.00 1.00 H new ATOM 0 HE1 MET A 4 -35.199 4.420 -6.980 1.00 1.00 H new ATOM 0 HE2 MET A 4 -33.740 4.649 -7.973 1.00 1.00 H new ATOM 0 HE3 MET A 4 -35.307 4.328 -8.754 1.00 1.00 H new ATOM 73 N THR A 5 -30.598 1.844 -9.998 1.00 1.00 N ATOM 74 CA THR A 5 -29.418 2.704 -10.016 1.00 1.00 C ATOM 75 C THR A 5 -28.253 2.005 -10.705 1.00 1.00 C ATOM 76 O THR A 5 -27.615 2.565 -11.598 1.00 1.00 O ATOM 77 CB THR A 5 -29.006 3.061 -8.585 1.00 1.00 C ATOM 78 OG1 THR A 5 -28.443 1.913 -7.960 1.00 1.00 O ATOM 79 CG2 THR A 5 -30.222 3.531 -7.784 1.00 1.00 C ATOM 0 H THR A 5 -30.919 1.583 -9.066 1.00 1.00 H new ATOM 0 HA THR A 5 -29.669 3.611 -10.566 1.00 1.00 H new ATOM 0 HB THR A 5 -28.272 3.866 -8.616 1.00 1.00 H new ATOM 0 HG1 THR A 5 -28.176 2.137 -7.044 1.00 1.00 H new ATOM 0 HG21 THR A 5 -29.914 3.781 -6.769 1.00 1.00 H new ATOM 0 HG22 THR A 5 -30.653 4.412 -8.260 1.00 1.00 H new ATOM 0 HG23 THR A 5 -30.966 2.735 -7.752 1.00 1.00 H new ATOM 87 N GLU A 6 -27.976 0.780 -10.274 1.00 1.00 N ATOM 88 CA GLU A 6 -26.878 0.002 -10.838 1.00 1.00 C ATOM 89 C GLU A 6 -27.155 -0.336 -12.302 1.00 1.00 C ATOM 90 O GLU A 6 -28.290 -0.616 -12.678 1.00 1.00 O ATOM 91 CB GLU A 6 -26.695 -1.281 -10.020 1.00 1.00 C ATOM 92 CG GLU A 6 -26.234 -0.928 -8.601 1.00 1.00 C ATOM 93 CD GLU A 6 -24.843 -0.298 -8.636 1.00 1.00 C ATOM 94 OE1 GLU A 6 -24.160 -0.478 -9.630 1.00 1.00 O ATOM 95 OE2 GLU A 6 -24.485 0.354 -7.669 1.00 1.00 O ATOM 0 H GLU A 6 -28.496 0.304 -9.537 1.00 1.00 H new ATOM 0 HA GLU A 6 -25.963 0.592 -10.795 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -27.633 -1.836 -9.981 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -25.962 -1.929 -10.500 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -26.942 -0.237 -8.143 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -26.219 -1.825 -7.983 1.00 1.00 H new ATOM 102 N GLU A 7 -26.106 -0.299 -13.130 1.00 1.00 N ATOM 103 CA GLU A 7 -26.241 -0.597 -14.561 1.00 1.00 C ATOM 104 C GLU A 7 -25.763 -2.016 -14.857 1.00 1.00 C ATOM 105 O GLU A 7 -24.571 -2.311 -14.766 1.00 1.00 O ATOM 106 CB GLU A 7 -25.400 0.395 -15.376 1.00 1.00 C ATOM 107 CG GLU A 7 -25.941 1.818 -15.194 1.00 1.00 C ATOM 108 CD GLU A 7 -27.313 1.961 -15.847 1.00 1.00 C ATOM 109 OE1 GLU A 7 -27.724 1.039 -16.531 1.00 1.00 O ATOM 110 OE2 GLU A 7 -27.944 2.983 -15.633 1.00 1.00 O ATOM 0 H GLU A 7 -25.157 -0.067 -12.836 1.00 1.00 H new ATOM 0 HA GLU A 7 -27.292 -0.508 -14.837 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -24.359 0.350 -15.056 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -25.422 0.121 -16.431 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -26.012 2.052 -14.132 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -25.247 2.535 -15.633 1.00 1.00 H new ATOM 117 N THR A 8 -26.700 -2.893 -15.222 1.00 1.00 N ATOM 118 CA THR A 8 -26.360 -4.281 -15.540 1.00 1.00 C ATOM 119 C THR A 8 -26.054 -4.414 -17.029 1.00 1.00 C ATOM 120 O THR A 8 -26.828 -3.966 -17.875 1.00 1.00 O ATOM 121 CB THR A 8 -27.525 -5.203 -15.161 1.00 1.00 C ATOM 122 OG1 THR A 8 -27.874 -4.981 -13.804 1.00 1.00 O ATOM 123 CG2 THR A 8 -27.111 -6.667 -15.343 1.00 1.00 C ATOM 0 H THR A 8 -27.692 -2.670 -15.304 1.00 1.00 H new ATOM 0 HA THR A 8 -25.477 -4.570 -14.970 1.00 1.00 H new ATOM 0 HB THR A 8 -28.378 -4.988 -15.804 1.00 1.00 H new ATOM 0 HG1 THR A 8 -28.620 -5.567 -13.558 1.00 1.00 H new ATOM 0 HG21 THR A 8 -27.943 -7.317 -15.072 1.00 1.00 H new ATOM 0 HG22 THR A 8 -26.838 -6.841 -16.384 1.00 1.00 H new ATOM 0 HG23 THR A 8 -26.256 -6.886 -14.703 1.00 1.00 H new ATOM 131 N ARG A 9 -24.918 -5.034 -17.340 1.00 1.00 N ATOM 132 CA ARG A 9 -24.501 -5.232 -18.730 1.00 1.00 C ATOM 133 C ARG A 9 -23.934 -6.635 -18.893 1.00 1.00 C ATOM 134 O ARG A 9 -24.610 -7.534 -19.394 1.00 1.00 O ATOM 135 CB ARG A 9 -23.434 -4.199 -19.112 1.00 1.00 C ATOM 136 CG ARG A 9 -23.081 -4.344 -20.596 1.00 1.00 C ATOM 137 CD ARG A 9 -21.990 -3.336 -20.970 1.00 1.00 C ATOM 138 NE ARG A 9 -21.768 -3.353 -22.412 1.00 1.00 N ATOM 139 CZ ARG A 9 -20.664 -2.834 -22.952 1.00 1.00 C ATOM 140 NH1 ARG A 9 -19.751 -2.296 -22.189 1.00 1.00 N ATOM 141 NH2 ARG A 9 -20.497 -2.866 -24.247 1.00 1.00 N ATOM 0 H ARG A 9 -24.268 -5.409 -16.649 1.00 1.00 H new ATOM 0 HA ARG A 9 -25.365 -5.107 -19.383 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -23.801 -3.192 -18.913 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -22.542 -4.340 -18.501 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -22.738 -5.358 -20.800 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -23.968 -4.178 -21.208 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -22.283 -2.336 -20.651 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -21.064 -3.579 -20.448 1.00 1.00 H new ATOM 0 HE ARG A 9 -22.472 -3.771 -23.020 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -19.881 -2.272 -21.178 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -18.908 -1.900 -22.604 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -21.210 -3.287 -24.843 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -19.654 -2.470 -24.662 1.00 1.00 H new ATOM 155 N LYS A 10 -22.691 -6.818 -18.456 1.00 1.00 N ATOM 156 CA LYS A 10 -22.043 -8.121 -18.542 1.00 1.00 C ATOM 157 C LYS A 10 -22.377 -8.944 -17.299 1.00 1.00 C ATOM 158 O LYS A 10 -23.251 -9.809 -17.339 1.00 1.00 O ATOM 159 CB LYS A 10 -20.524 -7.945 -18.674 1.00 1.00 C ATOM 160 CG LYS A 10 -20.197 -7.308 -20.036 1.00 1.00 C ATOM 161 CD LYS A 10 -18.680 -7.120 -20.178 1.00 1.00 C ATOM 162 CE LYS A 10 -18.366 -6.414 -21.504 1.00 1.00 C ATOM 163 NZ LYS A 10 -18.721 -7.306 -22.647 1.00 1.00 N ATOM 0 H LYS A 10 -22.116 -6.085 -18.041 1.00 1.00 H new ATOM 0 HA LYS A 10 -22.409 -8.647 -19.424 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -20.149 -7.316 -17.867 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -20.026 -8.910 -18.583 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -20.570 -7.941 -20.841 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -20.701 -6.346 -20.127 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -18.297 -6.533 -19.343 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -18.179 -8.088 -20.143 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -18.925 -5.481 -21.571 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -17.308 -6.155 -21.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -18.283 -6.945 -23.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -18.374 -8.268 -22.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -19.754 -7.327 -22.763 1.00 1.00 H new ATOM 177 N ASP A 11 -21.686 -8.678 -16.194 1.00 1.00 N ATOM 178 CA ASP A 11 -21.938 -9.419 -14.962 1.00 1.00 C ATOM 179 C ASP A 11 -21.392 -8.670 -13.747 1.00 1.00 C ATOM 180 O ASP A 11 -22.089 -7.853 -13.144 1.00 1.00 O ATOM 181 CB ASP A 11 -21.287 -10.797 -15.060 1.00 1.00 C ATOM 182 CG ASP A 11 -21.402 -11.542 -13.735 1.00 1.00 C ATOM 183 OD1 ASP A 11 -22.157 -11.096 -12.887 1.00 1.00 O ATOM 184 OD2 ASP A 11 -20.730 -12.551 -13.588 1.00 1.00 O ATOM 0 H ASP A 11 -20.958 -7.966 -16.126 1.00 1.00 H new ATOM 0 HA ASP A 11 -23.015 -9.527 -14.835 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -21.765 -11.375 -15.851 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -20.237 -10.690 -15.333 1.00 1.00 H new ATOM 189 N LEU A 12 -20.145 -8.969 -13.386 1.00 1.00 N ATOM 190 CA LEU A 12 -19.515 -8.330 -12.231 1.00 1.00 C ATOM 191 C LEU A 12 -19.100 -6.895 -12.570 1.00 1.00 C ATOM 192 O LEU A 12 -18.738 -6.608 -13.711 1.00 1.00 O ATOM 193 CB LEU A 12 -18.279 -9.132 -11.807 1.00 1.00 C ATOM 194 CG LEU A 12 -18.598 -10.630 -11.817 1.00 1.00 C ATOM 195 CD1 LEU A 12 -17.337 -11.414 -11.453 1.00 1.00 C ATOM 196 CD2 LEU A 12 -19.695 -10.935 -10.791 1.00 1.00 C ATOM 0 H LEU A 12 -19.555 -9.644 -13.872 1.00 1.00 H new ATOM 0 HA LEU A 12 -20.235 -8.304 -11.413 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -17.450 -8.924 -12.484 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -17.961 -8.826 -10.810 1.00 1.00 H new ATOM 0 HG LEU A 12 -18.943 -10.919 -12.810 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -17.558 -12.481 -11.458 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -16.554 -11.202 -12.181 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -16.999 -11.119 -10.460 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -19.918 -12.002 -10.803 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -19.354 -10.646 -9.797 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -20.595 -10.374 -11.043 1.00 1.00 H new ATOM 208 N PRO A 13 -19.140 -5.988 -11.618 1.00 1.00 N ATOM 209 CA PRO A 13 -18.756 -4.570 -11.865 1.00 1.00 C ATOM 210 C PRO A 13 -17.267 -4.433 -12.241 1.00 1.00 C ATOM 211 O PRO A 13 -16.415 -5.112 -11.668 1.00 1.00 O ATOM 212 CB PRO A 13 -19.069 -3.851 -10.535 1.00 1.00 C ATOM 213 CG PRO A 13 -19.134 -4.931 -9.497 1.00 1.00 C ATOM 214 CD PRO A 13 -19.559 -6.209 -10.224 1.00 1.00 C ATOM 0 HA PRO A 13 -19.299 -4.143 -12.708 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -18.297 -3.121 -10.293 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -20.012 -3.308 -10.596 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -18.166 -5.063 -9.014 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -19.848 -4.674 -8.715 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -19.077 -7.089 -9.798 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -20.635 -6.369 -10.152 1.00 1.00 H new ATOM 222 N PRO A 14 -16.935 -3.567 -13.176 1.00 1.00 N ATOM 223 CA PRO A 14 -15.520 -3.350 -13.602 1.00 1.00 C ATOM 224 C PRO A 14 -14.742 -2.521 -12.580 1.00 1.00 C ATOM 225 O PRO A 14 -13.608 -2.109 -12.830 1.00 1.00 O ATOM 226 CB PRO A 14 -15.663 -2.606 -14.936 1.00 1.00 C ATOM 227 CG PRO A 14 -16.945 -1.846 -14.810 1.00 1.00 C ATOM 228 CD PRO A 14 -17.863 -2.702 -13.935 1.00 1.00 C ATOM 0 HA PRO A 14 -14.959 -4.280 -13.691 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -14.821 -1.936 -15.108 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -15.695 -3.300 -15.776 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -16.776 -0.869 -14.358 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -17.392 -1.671 -15.789 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -18.468 -2.086 -13.270 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -18.553 -3.291 -14.539 1.00 1.00 H new ATOM 236 N GLU A 15 -15.358 -2.287 -11.423 1.00 1.00 N ATOM 237 CA GLU A 15 -14.715 -1.513 -10.366 1.00 1.00 C ATOM 238 C GLU A 15 -13.508 -2.271 -9.829 1.00 1.00 C ATOM 239 O GLU A 15 -12.472 -1.683 -9.532 1.00 1.00 O ATOM 240 CB GLU A 15 -15.707 -1.257 -9.228 1.00 1.00 C ATOM 241 CG GLU A 15 -16.853 -0.370 -9.722 1.00 1.00 C ATOM 242 CD GLU A 15 -16.328 1.015 -10.094 1.00 1.00 C ATOM 243 OE1 GLU A 15 -15.247 1.358 -9.642 1.00 1.00 O ATOM 244 OE2 GLU A 15 -17.012 1.710 -10.827 1.00 1.00 O ATOM 0 H GLU A 15 -16.295 -2.620 -11.195 1.00 1.00 H new ATOM 0 HA GLU A 15 -14.387 -0.559 -10.778 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -16.102 -2.204 -8.859 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -15.198 -0.776 -8.392 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -17.331 -0.830 -10.587 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -17.614 -0.282 -8.947 1.00 1.00 H new ATOM 251 N ALA A 16 -13.654 -3.587 -9.709 1.00 1.00 N ATOM 252 CA ALA A 16 -12.573 -4.432 -9.220 1.00 1.00 C ATOM 253 C ALA A 16 -11.636 -4.799 -10.363 1.00 1.00 C ATOM 254 O ALA A 16 -10.462 -5.103 -10.148 1.00 1.00 O ATOM 255 CB ALA A 16 -13.151 -5.701 -8.597 1.00 1.00 C ATOM 0 H ALA A 16 -14.510 -4.090 -9.944 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.010 -3.884 -8.464 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -12.339 -6.330 -8.233 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -13.804 -5.434 -7.766 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -13.724 -6.246 -9.347 1.00 1.00 H new ATOM 261 N LEU A 17 -12.166 -4.774 -11.584 1.00 1.00 N ATOM 262 CA LEU A 17 -11.368 -5.112 -12.757 1.00 1.00 C ATOM 263 C LEU A 17 -10.221 -4.121 -12.918 1.00 1.00 C ATOM 264 O LEU A 17 -9.076 -4.510 -13.144 1.00 1.00 O ATOM 265 CB LEU A 17 -12.251 -5.095 -14.009 1.00 1.00 C ATOM 266 CG LEU A 17 -11.420 -5.442 -15.256 1.00 1.00 C ATOM 267 CD1 LEU A 17 -10.799 -6.845 -15.103 1.00 1.00 C ATOM 268 CD2 LEU A 17 -12.326 -5.406 -16.491 1.00 1.00 C ATOM 0 H LEU A 17 -13.135 -4.526 -11.785 1.00 1.00 H new ATOM 0 HA LEU A 17 -10.953 -6.111 -12.624 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -13.066 -5.810 -13.897 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -12.705 -4.111 -14.129 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.617 -4.714 -15.370 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.212 -7.082 -15.991 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -10.153 -6.863 -14.225 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.592 -7.583 -14.985 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -11.742 -5.651 -17.378 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.130 -6.132 -16.374 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.751 -4.409 -16.601 1.00 1.00 H new ATOM 280 N ARG A 18 -10.535 -2.841 -12.785 1.00 1.00 N ATOM 281 CA ARG A 18 -9.522 -1.804 -12.905 1.00 1.00 C ATOM 282 C ARG A 18 -8.665 -1.784 -11.646 1.00 1.00 C ATOM 283 O ARG A 18 -7.491 -1.419 -11.686 1.00 1.00 O ATOM 284 CB ARG A 18 -10.188 -0.438 -13.116 1.00 1.00 C ATOM 285 CG ARG A 18 -10.980 -0.027 -11.851 1.00 1.00 C ATOM 286 CD ARG A 18 -10.198 1.013 -11.043 1.00 1.00 C ATOM 287 NE ARG A 18 -10.895 1.298 -9.795 1.00 1.00 N ATOM 288 CZ ARG A 18 -11.884 2.185 -9.748 1.00 1.00 C ATOM 289 NH1 ARG A 18 -12.237 2.823 -10.832 1.00 1.00 N ATOM 290 NH2 ARG A 18 -12.502 2.415 -8.623 1.00 1.00 N ATOM 0 H ARG A 18 -11.476 -2.497 -12.595 1.00 1.00 H new ATOM 0 HA ARG A 18 -8.888 -2.017 -13.766 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -9.430 0.313 -13.339 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -10.858 -0.481 -13.975 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -11.949 0.381 -12.138 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -11.173 -0.905 -11.235 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -9.194 0.643 -10.833 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -10.086 1.928 -11.624 1.00 1.00 H new ATOM 0 HE ARG A 18 -10.619 0.809 -8.944 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -11.754 2.640 -11.712 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -12.996 3.504 -10.799 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -12.227 1.914 -7.778 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -13.261 3.096 -8.588 1.00 1.00 H new ATOM 304 N ALA A 19 -9.261 -2.193 -10.525 1.00 1.00 N ATOM 305 CA ALA A 19 -8.541 -2.228 -9.258 1.00 1.00 C ATOM 306 C ALA A 19 -7.391 -3.223 -9.358 1.00 1.00 C ATOM 307 O ALA A 19 -6.272 -2.950 -8.924 1.00 1.00 O ATOM 308 CB ALA A 19 -9.487 -2.634 -8.125 1.00 1.00 C ATOM 0 H ALA A 19 -10.232 -2.501 -10.471 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.145 -1.236 -9.042 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.938 -2.657 -7.183 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.300 -1.912 -8.054 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.897 -3.623 -8.330 1.00 1.00 H new ATOM 314 N LEU A 20 -7.677 -4.373 -9.958 1.00 1.00 N ATOM 315 CA LEU A 20 -6.668 -5.406 -10.143 1.00 1.00 C ATOM 316 C LEU A 20 -5.578 -4.893 -11.075 1.00 1.00 C ATOM 317 O LEU A 20 -4.395 -5.171 -10.879 1.00 1.00 O ATOM 318 CB LEU A 20 -7.311 -6.669 -10.730 1.00 1.00 C ATOM 319 CG LEU A 20 -8.218 -7.332 -9.676 1.00 1.00 C ATOM 320 CD1 LEU A 20 -9.115 -8.371 -10.358 1.00 1.00 C ATOM 321 CD2 LEU A 20 -7.372 -8.028 -8.586 1.00 1.00 C ATOM 0 H LEU A 20 -8.599 -4.612 -10.324 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.227 -5.654 -9.178 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.893 -6.414 -11.615 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -6.537 -7.368 -11.048 1.00 1.00 H new ATOM 0 HG LEU A 20 -8.828 -6.560 -9.207 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -9.758 -8.841 -9.614 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -9.731 -7.881 -11.112 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -8.495 -9.131 -10.834 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.033 -8.489 -7.852 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -6.747 -8.795 -9.045 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.739 -7.292 -8.092 1.00 1.00 H new ATOM 333 N ALA A 21 -5.989 -4.138 -12.089 1.00 1.00 N ATOM 334 CA ALA A 21 -5.051 -3.583 -13.054 1.00 1.00 C ATOM 335 C ALA A 21 -4.084 -2.625 -12.364 1.00 1.00 C ATOM 336 O ALA A 21 -2.901 -2.581 -12.699 1.00 1.00 O ATOM 337 CB ALA A 21 -5.815 -2.854 -14.160 1.00 1.00 C ATOM 0 H ALA A 21 -6.965 -3.898 -12.262 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.476 -4.397 -13.495 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.108 -2.441 -14.879 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.479 -3.555 -14.666 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.403 -2.046 -13.724 1.00 1.00 H new ATOM 343 N GLU A 22 -4.586 -1.867 -11.389 1.00 1.00 N ATOM 344 CA GLU A 22 -3.742 -0.932 -10.653 1.00 1.00 C ATOM 345 C GLU A 22 -2.733 -1.709 -9.812 1.00 1.00 C ATOM 346 O GLU A 22 -1.571 -1.321 -9.696 1.00 1.00 O ATOM 347 CB GLU A 22 -4.599 -0.031 -9.759 1.00 1.00 C ATOM 348 CG GLU A 22 -5.417 0.926 -10.633 1.00 1.00 C ATOM 349 CD GLU A 22 -6.362 1.759 -9.770 1.00 1.00 C ATOM 350 OE1 GLU A 22 -6.356 1.570 -8.567 1.00 1.00 O ATOM 351 OE2 GLU A 22 -7.077 2.575 -10.328 1.00 1.00 O ATOM 0 H GLU A 22 -5.562 -1.883 -11.094 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.206 -0.301 -11.361 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.264 -0.637 -9.144 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -3.963 0.535 -9.078 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -4.748 1.583 -11.189 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -5.989 0.359 -11.367 1.00 1.00 H new ATOM 358 N ALA A 23 -3.187 -2.822 -9.241 1.00 1.00 N ATOM 359 CA ALA A 23 -2.321 -3.672 -8.430 1.00 1.00 C ATOM 360 C ALA A 23 -1.208 -4.251 -9.298 1.00 1.00 C ATOM 361 O ALA A 23 -0.079 -4.437 -8.844 1.00 1.00 O ATOM 362 CB ALA A 23 -3.135 -4.805 -7.801 1.00 1.00 C ATOM 0 H ALA A 23 -4.147 -3.155 -9.325 1.00 1.00 H new ATOM 0 HA ALA A 23 -1.880 -3.072 -7.634 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.479 -5.433 -7.198 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -3.916 -4.384 -7.168 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.590 -5.406 -8.588 1.00 1.00 H new ATOM 368 N GLU A 24 -1.542 -4.527 -10.556 1.00 1.00 N ATOM 369 CA GLU A 24 -0.577 -5.071 -11.506 1.00 1.00 C ATOM 370 C GLU A 24 0.424 -3.992 -11.928 1.00 1.00 C ATOM 371 O GLU A 24 1.609 -4.270 -12.112 1.00 1.00 O ATOM 372 CB GLU A 24 -1.311 -5.621 -12.734 1.00 1.00 C ATOM 373 CG GLU A 24 -0.304 -6.247 -13.703 1.00 1.00 C ATOM 374 CD GLU A 24 -1.036 -6.860 -14.894 1.00 1.00 C ATOM 375 OE1 GLU A 24 -2.212 -6.578 -15.053 1.00 1.00 O ATOM 376 OE2 GLU A 24 -0.407 -7.602 -15.631 1.00 1.00 O ATOM 0 H GLU A 24 -2.475 -4.382 -10.941 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.029 -5.881 -11.026 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.045 -6.366 -12.427 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.858 -4.820 -13.231 1.00 1.00 H new ATOM 0 HG2 GLU A 24 0.399 -5.490 -14.049 1.00 1.00 H new ATOM 0 HG3 GLU A 24 0.278 -7.013 -13.191 1.00 1.00 H new ATOM 383 N GLU A 25 -0.067 -2.760 -12.075 1.00 1.00 N ATOM 384 CA GLU A 25 0.785 -1.637 -12.471 1.00 1.00 C ATOM 385 C GLU A 25 1.510 -1.075 -11.250 1.00 1.00 C ATOM 386 O GLU A 25 2.504 -0.359 -11.374 1.00 1.00 O ATOM 387 CB GLU A 25 -0.060 -0.526 -13.101 1.00 1.00 C ATOM 388 CG GLU A 25 -0.687 -1.012 -14.412 1.00 1.00 C ATOM 389 CD GLU A 25 0.399 -1.275 -15.449 1.00 1.00 C ATOM 390 OE1 GLU A 25 1.480 -0.734 -15.298 1.00 1.00 O ATOM 391 OE2 GLU A 25 0.128 -2.009 -16.386 1.00 1.00 O ATOM 0 H GLU A 25 -1.046 -2.515 -11.927 1.00 1.00 H new ATOM 0 HA GLU A 25 1.513 -1.997 -13.198 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -0.843 -0.218 -12.408 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.561 0.350 -13.290 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.259 -1.923 -14.234 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -1.386 -0.265 -14.788 1.00 1.00 H new ATOM 398 N ARG A 26 0.999 -1.415 -10.072 1.00 1.00 N ATOM 399 CA ARG A 26 1.582 -0.965 -8.810 1.00 1.00 C ATOM 400 C ARG A 26 1.832 0.543 -8.809 1.00 1.00 C ATOM 401 O ARG A 26 2.978 0.988 -8.774 1.00 1.00 O ATOM 402 CB ARG A 26 2.899 -1.709 -8.553 1.00 1.00 C ATOM 403 CG ARG A 26 2.666 -3.228 -8.586 1.00 1.00 C ATOM 404 CD ARG A 26 2.052 -3.705 -7.266 1.00 1.00 C ATOM 405 NE ARG A 26 1.955 -5.159 -7.270 1.00 1.00 N ATOM 406 CZ ARG A 26 1.118 -5.795 -6.459 1.00 1.00 C ATOM 407 NH1 ARG A 26 0.361 -5.119 -5.635 1.00 1.00 N ATOM 408 NH2 ARG A 26 1.049 -7.096 -6.492 1.00 1.00 N ATOM 0 H ARG A 26 0.175 -2.006 -9.963 1.00 1.00 H new ATOM 0 HA ARG A 26 0.870 -1.186 -8.015 1.00 1.00 H new ATOM 0 HB2 ARG A 26 3.636 -1.430 -9.307 1.00 1.00 H new ATOM 0 HB3 ARG A 26 3.307 -1.417 -7.585 1.00 1.00 H new ATOM 0 HG2 ARG A 26 2.005 -3.483 -9.414 1.00 1.00 H new ATOM 0 HG3 ARG A 26 3.610 -3.743 -8.762 1.00 1.00 H new ATOM 0 HD2 ARG A 26 2.664 -3.373 -6.427 1.00 1.00 H new ATOM 0 HD3 ARG A 26 1.064 -3.265 -7.133 1.00 1.00 H new ATOM 0 HE ARG A 26 2.541 -5.698 -7.908 1.00 1.00 H new ATOM 0 HH11 ARG A 26 0.413 -4.101 -5.614 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -0.281 -5.610 -5.013 1.00 1.00 H new ATOM 0 HH21 ARG A 26 1.637 -7.622 -7.139 1.00 1.00 H new ATOM 0 HH22 ARG A 26 0.407 -7.589 -5.871 1.00 1.00 H new ATOM 422 N ARG A 27 0.751 1.323 -8.827 1.00 1.00 N ATOM 423 CA ARG A 27 0.868 2.781 -8.807 1.00 1.00 C ATOM 424 C ARG A 27 1.094 3.276 -7.379 1.00 1.00 C ATOM 425 O ARG A 27 0.553 2.719 -6.424 1.00 1.00 O ATOM 426 CB ARG A 27 -0.403 3.433 -9.368 1.00 1.00 C ATOM 427 CG ARG A 27 -0.701 2.913 -10.780 1.00 1.00 C ATOM 428 CD ARG A 27 0.243 3.559 -11.800 1.00 1.00 C ATOM 429 NE ARG A 27 -0.160 3.186 -13.152 1.00 1.00 N ATOM 430 CZ ARG A 27 0.724 3.086 -14.144 1.00 1.00 C ATOM 431 NH1 ARG A 27 1.989 3.335 -13.922 1.00 1.00 N ATOM 432 NH2 ARG A 27 0.325 2.741 -15.335 1.00 1.00 N ATOM 0 H ARG A 27 -0.207 0.974 -8.855 1.00 1.00 H new ATOM 0 HA ARG A 27 1.719 3.059 -9.429 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.247 3.221 -8.711 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.282 4.516 -9.392 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -0.588 1.829 -10.806 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -1.736 3.132 -11.044 1.00 1.00 H new ATOM 0 HD2 ARG A 27 0.224 4.643 -11.691 1.00 1.00 H new ATOM 0 HD3 ARG A 27 1.268 3.238 -11.615 1.00 1.00 H new ATOM 0 HE ARG A 27 -1.144 2.997 -13.343 1.00 1.00 H new ATOM 0 HH11 ARG A 27 2.299 3.606 -12.989 1.00 1.00 H new ATOM 0 HH12 ARG A 27 2.665 3.258 -14.682 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -0.662 2.548 -15.506 1.00 1.00 H new ATOM 0 HH22 ARG A 27 0.999 2.664 -16.096 1.00 1.00 H new ATOM 446 N ARG A 28 1.901 4.323 -7.248 1.00 1.00 N ATOM 447 CA ARG A 28 2.207 4.903 -5.941 1.00 1.00 C ATOM 448 C ARG A 28 0.943 5.439 -5.269 1.00 1.00 C ATOM 449 O ARG A 28 0.834 5.439 -4.044 1.00 1.00 O ATOM 450 CB ARG A 28 3.233 6.027 -6.098 1.00 1.00 C ATOM 451 CG ARG A 28 4.592 5.427 -6.471 1.00 1.00 C ATOM 452 CD ARG A 28 5.594 6.550 -6.748 1.00 1.00 C ATOM 453 NE ARG A 28 5.784 7.362 -5.549 1.00 1.00 N ATOM 454 CZ ARG A 28 6.673 7.024 -4.616 1.00 1.00 C ATOM 455 NH1 ARG A 28 7.397 5.945 -4.762 1.00 1.00 N ATOM 456 NH2 ARG A 28 6.819 7.771 -3.556 1.00 1.00 N ATOM 0 H ARG A 28 2.357 4.790 -8.032 1.00 1.00 H new ATOM 0 HA ARG A 28 2.623 4.120 -5.308 1.00 1.00 H new ATOM 0 HB2 ARG A 28 2.908 6.726 -6.869 1.00 1.00 H new ATOM 0 HB3 ARG A 28 3.315 6.592 -5.169 1.00 1.00 H new ATOM 0 HG2 ARG A 28 4.955 4.794 -5.661 1.00 1.00 H new ATOM 0 HG3 ARG A 28 4.491 4.792 -7.351 1.00 1.00 H new ATOM 0 HD2 ARG A 28 6.547 6.127 -7.065 1.00 1.00 H new ATOM 0 HD3 ARG A 28 5.235 7.174 -7.566 1.00 1.00 H new ATOM 0 HE ARG A 28 5.224 8.205 -5.423 1.00 1.00 H new ATOM 0 HH11 ARG A 28 7.281 5.361 -5.591 1.00 1.00 H new ATOM 0 HH12 ARG A 28 8.077 5.687 -4.047 1.00 1.00 H new ATOM 0 HH21 ARG A 28 6.253 8.612 -3.443 1.00 1.00 H new ATOM 0 HH22 ARG A 28 7.499 7.514 -2.841 1.00 1.00 H new ATOM 470 N ARG A 29 -0.003 5.907 -6.076 1.00 1.00 N ATOM 471 CA ARG A 29 -1.249 6.455 -5.549 1.00 1.00 C ATOM 472 C ARG A 29 -2.007 5.393 -4.750 1.00 1.00 C ATOM 473 O ARG A 29 -2.616 5.693 -3.724 1.00 1.00 O ATOM 474 CB ARG A 29 -2.126 6.941 -6.711 1.00 1.00 C ATOM 475 CG ARG A 29 -1.432 8.085 -7.469 1.00 1.00 C ATOM 476 CD ARG A 29 -1.629 9.422 -6.739 1.00 1.00 C ATOM 477 NE ARG A 29 -1.070 10.504 -7.543 1.00 1.00 N ATOM 478 CZ ARG A 29 -0.802 11.694 -7.014 1.00 1.00 C ATOM 479 NH1 ARG A 29 -1.032 11.922 -5.748 1.00 1.00 N ATOM 480 NH2 ARG A 29 -0.304 12.636 -7.768 1.00 1.00 N ATOM 0 H ARG A 29 0.068 5.918 -7.093 1.00 1.00 H new ATOM 0 HA ARG A 29 -1.013 7.289 -4.889 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -2.327 6.115 -7.393 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -3.089 7.281 -6.330 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.367 7.871 -7.564 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.835 8.155 -8.480 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -2.690 9.598 -6.561 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -1.143 9.391 -5.764 1.00 1.00 H new ATOM 0 HE ARG A 29 -0.881 10.344 -8.532 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -1.419 11.185 -5.159 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -0.824 12.837 -5.349 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -0.123 12.457 -8.756 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -0.096 13.552 -7.370 1.00 1.00 H new ATOM 494 N ALA A 30 -1.964 4.155 -5.229 1.00 1.00 N ATOM 495 CA ALA A 30 -2.648 3.052 -4.561 1.00 1.00 C ATOM 496 C ALA A 30 -2.006 2.764 -3.207 1.00 1.00 C ATOM 497 O ALA A 30 -2.696 2.435 -2.243 1.00 1.00 O ATOM 498 CB ALA A 30 -2.596 1.802 -5.439 1.00 1.00 C ATOM 0 H ALA A 30 -1.463 3.889 -6.077 1.00 1.00 H new ATOM 0 HA ALA A 30 -3.688 3.335 -4.398 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -3.108 0.982 -4.935 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -3.086 2.006 -6.391 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -1.557 1.526 -5.618 1.00 1.00 H new ATOM 504 N LYS A 31 -0.684 2.892 -3.141 1.00 1.00 N ATOM 505 CA LYS A 31 0.038 2.644 -1.899 1.00 1.00 C ATOM 506 C LYS A 31 -0.425 3.609 -0.811 1.00 1.00 C ATOM 507 O LYS A 31 -0.617 3.218 0.341 1.00 1.00 O ATOM 508 CB LYS A 31 1.547 2.798 -2.130 1.00 1.00 C ATOM 509 CG LYS A 31 2.302 2.456 -0.845 1.00 1.00 C ATOM 510 CD LYS A 31 3.813 2.547 -1.093 1.00 1.00 C ATOM 511 CE LYS A 31 4.574 2.221 0.198 1.00 1.00 C ATOM 512 NZ LYS A 31 4.290 0.814 0.604 1.00 1.00 N ATOM 0 H LYS A 31 -0.095 3.164 -3.928 1.00 1.00 H new ATOM 0 HA LYS A 31 -0.171 1.625 -1.572 1.00 1.00 H new ATOM 0 HB2 LYS A 31 1.870 2.142 -2.939 1.00 1.00 H new ATOM 0 HB3 LYS A 31 1.776 3.819 -2.437 1.00 1.00 H new ATOM 0 HG2 LYS A 31 2.013 3.141 -0.048 1.00 1.00 H new ATOM 0 HG3 LYS A 31 2.038 1.452 -0.513 1.00 1.00 H new ATOM 0 HD2 LYS A 31 4.103 1.853 -1.882 1.00 1.00 H new ATOM 0 HD3 LYS A 31 4.074 3.548 -1.437 1.00 1.00 H new ATOM 0 HE2 LYS A 31 5.645 2.357 0.045 1.00 1.00 H new ATOM 0 HE3 LYS A 31 4.275 2.906 0.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 5.024 0.488 1.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 3.361 0.768 1.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 4.287 0.204 -0.238 1.00 1.00 H new ATOM 526 N ALA A 32 -0.606 4.868 -1.185 1.00 1.00 N ATOM 527 CA ALA A 32 -1.048 5.882 -0.238 1.00 1.00 C ATOM 528 C ALA A 32 -2.502 5.644 0.172 1.00 1.00 C ATOM 529 O ALA A 32 -3.007 6.290 1.089 1.00 1.00 O ATOM 530 CB ALA A 32 -0.919 7.273 -0.866 1.00 1.00 C ATOM 0 H ALA A 32 -0.454 5.211 -2.134 1.00 1.00 H new ATOM 0 HA ALA A 32 -0.418 5.819 0.649 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -1.251 8.027 -0.152 1.00 1.00 H new ATOM 0 HB2 ALA A 32 0.122 7.458 -1.130 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -1.536 7.326 -1.763 1.00 1.00 H new ATOM 536 N LEU A 33 -3.176 4.713 -0.513 1.00 1.00 N ATOM 537 CA LEU A 33 -4.575 4.398 -0.217 1.00 1.00 C ATOM 538 C LEU A 33 -4.697 2.968 0.298 1.00 1.00 C ATOM 539 O LEU A 33 -5.798 2.434 0.414 1.00 1.00 O ATOM 540 CB LEU A 33 -5.422 4.561 -1.486 1.00 1.00 C ATOM 541 CG LEU A 33 -5.324 6.007 -1.998 1.00 1.00 C ATOM 542 CD1 LEU A 33 -6.082 6.128 -3.324 1.00 1.00 C ATOM 543 CD2 LEU A 33 -5.932 6.981 -0.968 1.00 1.00 C ATOM 0 H LEU A 33 -2.774 4.166 -1.275 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.934 5.083 0.551 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.078 3.870 -2.255 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -6.462 4.310 -1.275 1.00 1.00 H new ATOM 0 HG LEU A 33 -4.274 6.261 -2.147 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -6.014 7.153 -3.690 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -5.643 5.451 -4.057 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -7.129 5.866 -3.170 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -5.856 8.002 -1.343 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -6.981 6.731 -0.806 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -5.390 6.900 -0.026 1.00 1.00 H new ATOM 555 N ASP A 34 -3.556 2.348 0.591 1.00 1.00 N ATOM 556 CA ASP A 34 -3.549 0.972 1.079 1.00 1.00 C ATOM 557 C ASP A 34 -3.817 0.931 2.582 1.00 1.00 C ATOM 558 O ASP A 34 -2.982 1.356 3.381 1.00 1.00 O ATOM 559 CB ASP A 34 -2.196 0.328 0.772 1.00 1.00 C ATOM 560 CG ASP A 34 -2.184 -1.129 1.226 1.00 1.00 C ATOM 561 OD1 ASP A 34 -3.136 -1.538 1.869 1.00 1.00 O ATOM 562 OD2 ASP A 34 -1.219 -1.812 0.925 1.00 1.00 O ATOM 0 H ASP A 34 -2.633 2.772 0.500 1.00 1.00 H new ATOM 0 HA ASP A 34 -4.340 0.417 0.575 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.994 0.384 -0.298 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -1.401 0.879 1.275 1.00 1.00 H new ATOM 567 N LEU A 35 -4.993 0.427 2.968 1.00 1.00 N ATOM 568 CA LEU A 35 -5.361 0.352 4.382 1.00 1.00 C ATOM 569 C LEU A 35 -4.798 -0.921 5.028 1.00 1.00 C ATOM 570 O LEU A 35 -4.602 -1.931 4.354 1.00 1.00 O ATOM 571 CB LEU A 35 -6.899 0.381 4.534 1.00 1.00 C ATOM 572 CG LEU A 35 -7.572 -0.367 3.358 1.00 1.00 C ATOM 573 CD1 LEU A 35 -8.887 -1.001 3.830 1.00 1.00 C ATOM 574 CD2 LEU A 35 -7.875 0.614 2.212 1.00 1.00 C ATOM 0 H LEU A 35 -5.700 0.068 2.326 1.00 1.00 H new ATOM 0 HA LEU A 35 -4.933 1.216 4.891 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -7.186 -0.081 5.479 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -7.248 1.413 4.564 1.00 1.00 H new ATOM 0 HG LEU A 35 -6.893 -1.143 3.004 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -9.357 -1.526 2.998 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -8.682 -1.706 4.636 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -9.557 -0.221 4.192 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -8.348 0.078 1.390 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -8.546 1.395 2.570 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -6.946 1.065 1.864 1.00 1.00 H new ATOM 586 N PRO A 36 -4.541 -0.889 6.321 1.00 1.00 N ATOM 587 CA PRO A 36 -3.988 -2.066 7.065 1.00 1.00 C ATOM 588 C PRO A 36 -4.974 -3.234 7.117 1.00 1.00 C ATOM 589 O PRO A 36 -6.188 -3.032 7.115 1.00 1.00 O ATOM 590 CB PRO A 36 -3.698 -1.506 8.473 1.00 1.00 C ATOM 591 CG PRO A 36 -4.585 -0.307 8.615 1.00 1.00 C ATOM 592 CD PRO A 36 -4.744 0.271 7.209 1.00 1.00 C ATOM 0 HA PRO A 36 -3.102 -2.479 6.582 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -3.913 -2.247 9.243 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -2.648 -1.233 8.579 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -5.552 -0.585 9.034 1.00 1.00 H new ATOM 0 HG3 PRO A 36 -4.144 0.426 9.290 1.00 1.00 H new ATOM 0 HD2 PRO A 36 -5.730 0.713 7.069 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -4.012 1.055 7.015 1.00 1.00 H new ATOM 600 N LYS A 37 -4.443 -4.462 7.167 1.00 1.00 N ATOM 601 CA LYS A 37 -5.288 -5.657 7.221 1.00 1.00 C ATOM 602 C LYS A 37 -4.726 -6.683 8.216 1.00 1.00 C ATOM 603 O LYS A 37 -5.280 -6.866 9.301 1.00 1.00 O ATOM 604 CB LYS A 37 -5.399 -6.276 5.814 1.00 1.00 C ATOM 605 CG LYS A 37 -6.753 -6.981 5.643 1.00 1.00 C ATOM 606 CD LYS A 37 -6.880 -8.108 6.668 1.00 1.00 C ATOM 607 CE LYS A 37 -8.101 -8.964 6.338 1.00 1.00 C ATOM 608 NZ LYS A 37 -8.196 -10.084 7.316 1.00 1.00 N ATOM 0 H LYS A 37 -3.441 -4.652 7.171 1.00 1.00 H new ATOM 0 HA LYS A 37 -6.281 -5.368 7.565 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -5.289 -5.498 5.058 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -4.589 -6.988 5.659 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -7.565 -6.266 5.772 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -6.840 -7.383 4.634 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -5.980 -8.723 6.662 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -6.975 -7.692 7.671 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -9.006 -8.357 6.374 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -8.021 -9.357 5.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -9.027 -10.669 7.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -7.337 -10.667 7.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -8.291 -9.698 8.277 1.00 1.00 H new ATOM 622 N GLU A 38 -3.639 -7.359 7.848 1.00 1.00 N ATOM 623 CA GLU A 38 -3.048 -8.362 8.733 1.00 1.00 C ATOM 624 C GLU A 38 -1.677 -8.798 8.212 1.00 1.00 C ATOM 625 O GLU A 38 -0.646 -8.334 8.699 1.00 1.00 O ATOM 626 CB GLU A 38 -3.988 -9.575 8.847 1.00 1.00 C ATOM 627 CG GLU A 38 -3.441 -10.590 9.865 1.00 1.00 C ATOM 628 CD GLU A 38 -3.510 -10.017 11.279 1.00 1.00 C ATOM 629 OE1 GLU A 38 -4.101 -8.962 11.445 1.00 1.00 O ATOM 630 OE2 GLU A 38 -2.973 -10.644 12.179 1.00 1.00 O ATOM 0 H GLU A 38 -3.156 -7.234 6.958 1.00 1.00 H new ATOM 0 HA GLU A 38 -2.913 -7.923 9.721 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -4.981 -9.245 9.152 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -4.096 -10.051 7.872 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -4.017 -11.514 9.812 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -2.410 -10.842 9.618 1.00 1.00 H new ATOM 637 N ILE A 39 -1.667 -9.688 7.214 1.00 1.00 N ATOM 638 CA ILE A 39 -0.409 -10.174 6.628 1.00 1.00 C ATOM 639 C ILE A 39 -0.445 -10.040 5.107 1.00 1.00 C ATOM 640 O ILE A 39 -1.437 -10.389 4.469 1.00 1.00 O ATOM 641 CB ILE A 39 -0.173 -11.640 7.009 1.00 1.00 C ATOM 642 CG1 ILE A 39 1.175 -12.101 6.450 1.00 1.00 C ATOM 643 CG2 ILE A 39 -1.285 -12.515 6.434 1.00 1.00 C ATOM 644 CD1 ILE A 39 1.518 -13.477 7.020 1.00 1.00 C ATOM 0 H ILE A 39 -2.508 -10.085 6.796 1.00 1.00 H new ATOM 0 HA ILE A 39 0.408 -9.568 7.021 1.00 1.00 H new ATOM 0 HB ILE A 39 -0.172 -11.730 8.095 1.00 1.00 H new ATOM 0 HG12 ILE A 39 1.133 -12.146 5.362 1.00 1.00 H new ATOM 0 HG13 ILE A 39 1.953 -11.383 6.710 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -1.109 -13.555 6.710 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -2.246 -12.191 6.834 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -1.295 -12.424 5.348 1.00 1.00 H new ATOM 0 HD11 ILE A 39 2.478 -13.806 6.623 1.00 1.00 H new ATOM 0 HD12 ILE A 39 1.577 -13.416 8.107 1.00 1.00 H new ATOM 0 HD13 ILE A 39 0.744 -14.191 6.738 1.00 1.00 H new ATOM 656 N GLY A 40 0.641 -9.524 4.534 1.00 1.00 N ATOM 657 CA GLY A 40 0.717 -9.339 3.087 1.00 1.00 C ATOM 658 C GLY A 40 2.168 -9.331 2.605 1.00 1.00 C ATOM 659 O GLY A 40 3.093 -9.160 3.399 1.00 1.00 O ATOM 0 H GLY A 40 1.473 -9.229 5.045 1.00 1.00 H new ATOM 0 HA2 GLY A 40 0.169 -10.138 2.587 1.00 1.00 H new ATOM 0 HA3 GLY A 40 0.235 -8.401 2.812 1.00 1.00 H new ATOM 663 N GLY A 41 2.355 -9.515 1.301 1.00 1.00 N ATOM 664 CA GLY A 41 3.694 -9.523 0.715 1.00 1.00 C ATOM 665 C GLY A 41 4.563 -10.640 1.300 1.00 1.00 C ATOM 666 O GLY A 41 5.042 -10.541 2.428 1.00 1.00 O ATOM 0 H GLY A 41 1.600 -9.660 0.631 1.00 1.00 H new ATOM 0 HA2 GLY A 41 3.618 -9.649 -0.365 1.00 1.00 H new ATOM 0 HA3 GLY A 41 4.173 -8.560 0.890 1.00 1.00 H new ATOM 670 N ARG A 42 4.769 -11.695 0.512 1.00 1.00 N ATOM 671 CA ARG A 42 5.591 -12.832 0.938 1.00 1.00 C ATOM 672 C ARG A 42 5.244 -13.278 2.358 1.00 1.00 C ATOM 673 O ARG A 42 5.904 -12.887 3.321 1.00 1.00 O ATOM 674 CB ARG A 42 7.075 -12.460 0.860 1.00 1.00 C ATOM 675 CG ARG A 42 7.467 -12.242 -0.604 1.00 1.00 C ATOM 676 CD ARG A 42 8.921 -11.771 -0.689 1.00 1.00 C ATOM 677 NE ARG A 42 9.823 -12.798 -0.182 1.00 1.00 N ATOM 678 CZ ARG A 42 11.117 -12.544 -0.004 1.00 1.00 C ATOM 679 NH1 ARG A 42 11.588 -11.357 -0.283 1.00 1.00 N ATOM 680 NH2 ARG A 42 11.914 -13.473 0.447 1.00 1.00 N ATOM 0 H ARG A 42 4.379 -11.788 -0.426 1.00 1.00 H new ATOM 0 HA ARG A 42 5.384 -13.664 0.265 1.00 1.00 H new ATOM 0 HB2 ARG A 42 7.266 -11.556 1.438 1.00 1.00 H new ATOM 0 HB3 ARG A 42 7.683 -13.252 1.297 1.00 1.00 H new ATOM 0 HG2 ARG A 42 7.342 -13.168 -1.165 1.00 1.00 H new ATOM 0 HG3 ARG A 42 6.809 -11.502 -1.060 1.00 1.00 H new ATOM 0 HD2 ARG A 42 9.173 -11.536 -1.723 1.00 1.00 H new ATOM 0 HD3 ARG A 42 9.046 -10.853 -0.114 1.00 1.00 H new ATOM 0 HE ARG A 42 9.457 -13.724 0.039 1.00 1.00 H new ATOM 0 HH11 ARG A 42 10.964 -10.631 -0.635 1.00 1.00 H new ATOM 0 HH12 ARG A 42 12.579 -11.157 -0.148 1.00 1.00 H new ATOM 0 HH21 ARG A 42 11.546 -14.399 0.665 1.00 1.00 H new ATOM 0 HH22 ARG A 42 12.905 -13.273 0.582 1.00 1.00 H new ATOM 694 N ASN A 43 4.210 -14.109 2.474 1.00 1.00 N ATOM 695 CA ASN A 43 3.780 -14.618 3.773 1.00 1.00 C ATOM 696 C ASN A 43 4.751 -15.684 4.288 1.00 1.00 C ATOM 697 O ASN A 43 4.384 -16.848 4.450 1.00 1.00 O ATOM 698 CB ASN A 43 2.373 -15.212 3.656 1.00 1.00 C ATOM 699 CG ASN A 43 2.405 -16.469 2.794 1.00 1.00 C ATOM 700 OD1 ASN A 43 2.627 -16.390 1.585 1.00 1.00 O ATOM 701 ND2 ASN A 43 2.199 -17.633 3.347 1.00 1.00 N ATOM 0 H ASN A 43 3.656 -14.443 1.685 1.00 1.00 H new ATOM 0 HA ASN A 43 3.769 -13.790 4.482 1.00 1.00 H new ATOM 0 HB2 ASN A 43 1.987 -15.451 4.647 1.00 1.00 H new ATOM 0 HB3 ASN A 43 1.695 -14.479 3.218 1.00 1.00 H new ATOM 0 HD21 ASN A 43 2.222 -18.479 2.778 1.00 1.00 H new ATOM 0 HD22 ASN A 43 2.015 -17.697 4.348 1.00 1.00 H new ATOM 708 N GLY A 44 5.992 -15.276 4.544 1.00 1.00 N ATOM 709 CA GLY A 44 7.012 -16.201 5.039 1.00 1.00 C ATOM 710 C GLY A 44 6.946 -16.331 6.561 1.00 1.00 C ATOM 711 O GLY A 44 7.018 -17.434 7.101 1.00 1.00 O ATOM 0 H GLY A 44 6.316 -14.317 4.418 1.00 1.00 H new ATOM 0 HA2 GLY A 44 6.872 -17.180 4.581 1.00 1.00 H new ATOM 0 HA3 GLY A 44 8.000 -15.849 4.744 1.00 1.00 H new ATOM 715 N PRO A 45 6.819 -15.227 7.254 1.00 1.00 N ATOM 716 CA PRO A 45 6.742 -15.202 8.748 1.00 1.00 C ATOM 717 C PRO A 45 5.559 -16.005 9.293 1.00 1.00 C ATOM 718 O PRO A 45 4.495 -16.065 8.675 1.00 1.00 O ATOM 719 CB PRO A 45 6.617 -13.699 9.074 1.00 1.00 C ATOM 720 CG PRO A 45 7.170 -13.009 7.871 1.00 1.00 C ATOM 721 CD PRO A 45 6.741 -13.871 6.693 1.00 1.00 C ATOM 0 HA PRO A 45 7.609 -15.669 9.214 1.00 1.00 H new ATOM 0 HB2 PRO A 45 5.579 -13.416 9.252 1.00 1.00 H new ATOM 0 HB3 PRO A 45 7.177 -13.440 9.973 1.00 1.00 H new ATOM 0 HG2 PRO A 45 6.779 -11.996 7.782 1.00 1.00 H new ATOM 0 HG3 PRO A 45 8.256 -12.928 7.926 1.00 1.00 H new ATOM 0 HD2 PRO A 45 5.733 -13.627 6.356 1.00 1.00 H new ATOM 0 HD3 PRO A 45 7.402 -13.747 5.836 1.00 1.00 H new ATOM 729 N GLU A 46 5.771 -16.628 10.449 1.00 1.00 N ATOM 730 CA GLU A 46 4.738 -17.442 11.086 1.00 1.00 C ATOM 731 C GLU A 46 3.354 -16.791 10.950 1.00 1.00 C ATOM 732 O GLU A 46 3.246 -15.566 10.871 1.00 1.00 O ATOM 733 CB GLU A 46 5.081 -17.630 12.572 1.00 1.00 C ATOM 734 CG GLU A 46 6.173 -18.695 12.723 1.00 1.00 C ATOM 735 CD GLU A 46 5.608 -20.075 12.406 1.00 1.00 C ATOM 736 OE1 GLU A 46 4.860 -20.590 13.219 1.00 1.00 O ATOM 737 OE2 GLU A 46 5.932 -20.600 11.352 1.00 1.00 O ATOM 0 H GLU A 46 6.650 -16.585 10.965 1.00 1.00 H new ATOM 0 HA GLU A 46 4.706 -18.410 10.587 1.00 1.00 H new ATOM 0 HB2 GLU A 46 5.420 -16.686 12.999 1.00 1.00 H new ATOM 0 HB3 GLU A 46 4.190 -17.928 13.125 1.00 1.00 H new ATOM 0 HG2 GLU A 46 7.004 -18.472 12.054 1.00 1.00 H new ATOM 0 HG3 GLU A 46 6.568 -18.680 13.739 1.00 1.00 H new ATOM 744 N PRO A 47 2.299 -17.581 10.924 1.00 1.00 N ATOM 745 CA PRO A 47 0.896 -17.061 10.800 1.00 1.00 C ATOM 746 C PRO A 47 0.461 -16.265 12.040 1.00 1.00 C ATOM 747 O PRO A 47 -0.470 -15.460 11.979 1.00 1.00 O ATOM 748 CB PRO A 47 0.050 -18.338 10.621 1.00 1.00 C ATOM 749 CG PRO A 47 0.861 -19.431 11.242 1.00 1.00 C ATOM 750 CD PRO A 47 2.322 -19.056 11.007 1.00 1.00 C ATOM 0 HA PRO A 47 0.786 -16.359 9.973 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -0.920 -18.240 11.109 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -0.142 -18.539 9.567 1.00 1.00 H new ATOM 0 HG2 PRO A 47 0.647 -19.519 12.307 1.00 1.00 H new ATOM 0 HG3 PRO A 47 0.628 -20.395 10.790 1.00 1.00 H new ATOM 0 HD2 PRO A 47 2.959 -19.401 11.821 1.00 1.00 H new ATOM 0 HD3 PRO A 47 2.707 -19.502 10.090 1.00 1.00 H new ATOM 758 N VAL A 48 1.142 -16.496 13.162 1.00 1.00 N ATOM 759 CA VAL A 48 0.827 -15.803 14.414 1.00 1.00 C ATOM 760 C VAL A 48 -0.652 -15.938 14.770 1.00 1.00 C ATOM 761 O VAL A 48 -1.518 -15.402 14.082 1.00 1.00 O ATOM 762 CB VAL A 48 1.195 -14.317 14.299 1.00 1.00 C ATOM 763 CG1 VAL A 48 0.938 -13.616 15.638 1.00 1.00 C ATOM 764 CG2 VAL A 48 2.678 -14.189 13.947 1.00 1.00 C ATOM 0 H VAL A 48 1.916 -17.157 13.231 1.00 1.00 H new ATOM 0 HA VAL A 48 1.413 -16.267 15.208 1.00 1.00 H new ATOM 0 HB VAL A 48 0.586 -13.855 13.522 1.00 1.00 H new ATOM 0 HG11 VAL A 48 1.200 -12.561 15.553 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -0.116 -13.708 15.900 1.00 1.00 H new ATOM 0 HG13 VAL A 48 1.547 -14.080 16.414 1.00 1.00 H new ATOM 0 HG21 VAL A 48 2.943 -13.135 13.865 1.00 1.00 H new ATOM 0 HG22 VAL A 48 3.279 -14.654 14.729 1.00 1.00 H new ATOM 0 HG23 VAL A 48 2.871 -14.687 12.997 1.00 1.00 H new ATOM 774 N ARG A 49 -0.934 -16.653 15.867 1.00 1.00 N ATOM 775 CA ARG A 49 -2.314 -16.850 16.328 1.00 1.00 C ATOM 776 C ARG A 49 -2.428 -16.601 17.832 1.00 1.00 C ATOM 777 O ARG A 49 -2.702 -17.521 18.605 1.00 1.00 O ATOM 778 CB ARG A 49 -2.786 -18.273 16.006 1.00 1.00 C ATOM 779 CG ARG A 49 -4.305 -18.359 16.191 1.00 1.00 C ATOM 780 CD ARG A 49 -4.790 -19.775 15.853 1.00 1.00 C ATOM 781 NE ARG A 49 -4.614 -20.034 14.428 1.00 1.00 N ATOM 782 CZ ARG A 49 -4.928 -21.213 13.886 1.00 1.00 C ATOM 783 NH1 ARG A 49 -5.407 -22.178 14.627 1.00 1.00 N ATOM 784 NH2 ARG A 49 -4.755 -21.400 12.606 1.00 1.00 N ATOM 0 H ARG A 49 -0.228 -17.103 16.450 1.00 1.00 H new ATOM 0 HA ARG A 49 -2.947 -16.133 15.806 1.00 1.00 H new ATOM 0 HB2 ARG A 49 -2.518 -18.534 14.982 1.00 1.00 H new ATOM 0 HB3 ARG A 49 -2.288 -18.990 16.659 1.00 1.00 H new ATOM 0 HG2 ARG A 49 -4.570 -18.109 17.218 1.00 1.00 H new ATOM 0 HG3 ARG A 49 -4.801 -17.632 15.548 1.00 1.00 H new ATOM 0 HD2 ARG A 49 -4.233 -20.508 16.436 1.00 1.00 H new ATOM 0 HD3 ARG A 49 -5.840 -19.883 16.124 1.00 1.00 H new ATOM 0 HE ARG A 49 -4.242 -19.296 13.831 1.00 1.00 H new ATOM 0 HH11 ARG A 49 -5.543 -22.033 15.627 1.00 1.00 H new ATOM 0 HH12 ARG A 49 -5.644 -23.076 14.205 1.00 1.00 H new ATOM 0 HH21 ARG A 49 -4.382 -20.648 12.027 1.00 1.00 H new ATOM 0 HH22 ARG A 49 -4.993 -22.298 12.185 1.00 1.00 H new ATOM 798 N PHE A 50 -2.231 -15.346 18.237 1.00 1.00 N ATOM 799 CA PHE A 50 -2.322 -14.961 19.649 1.00 1.00 C ATOM 800 C PHE A 50 -3.157 -13.690 19.787 1.00 1.00 C ATOM 801 O PHE A 50 -2.680 -12.671 20.292 1.00 1.00 O ATOM 802 CB PHE A 50 -0.922 -14.731 20.228 1.00 1.00 C ATOM 803 CG PHE A 50 -0.170 -16.042 20.269 1.00 1.00 C ATOM 804 CD1 PHE A 50 -0.317 -16.901 21.367 1.00 1.00 C ATOM 805 CD2 PHE A 50 0.673 -16.400 19.210 1.00 1.00 C ATOM 806 CE1 PHE A 50 0.381 -18.115 21.404 1.00 1.00 C ATOM 807 CE2 PHE A 50 1.368 -17.614 19.246 1.00 1.00 C ATOM 808 CZ PHE A 50 1.222 -18.472 20.343 1.00 1.00 C ATOM 0 H PHE A 50 -2.007 -14.576 17.607 1.00 1.00 H new ATOM 0 HA PHE A 50 -2.802 -15.767 20.203 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -0.380 -14.008 19.619 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -0.996 -14.311 21.231 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -0.968 -16.627 22.184 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.787 -15.738 18.364 1.00 1.00 H new ATOM 0 HE1 PHE A 50 0.270 -18.776 22.251 1.00 1.00 H new ATOM 0 HE2 PHE A 50 2.017 -17.889 18.428 1.00 1.00 H new ATOM 0 HZ PHE A 50 1.758 -19.409 20.371 1.00 1.00 H new ATOM 818 N GLY A 51 -4.404 -13.758 19.325 1.00 1.00 N ATOM 819 CA GLY A 51 -5.305 -12.612 19.388 1.00 1.00 C ATOM 820 C GLY A 51 -5.808 -12.380 20.809 1.00 1.00 C ATOM 821 O GLY A 51 -5.111 -12.667 21.780 1.00 1.00 O ATOM 0 H GLY A 51 -4.812 -14.593 18.904 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -4.788 -11.720 19.033 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -6.152 -12.776 18.722 1.00 1.00 H new ATOM 825 N ASP A 52 -7.021 -11.845 20.920 1.00 1.00 N ATOM 826 CA ASP A 52 -7.610 -11.557 22.226 1.00 1.00 C ATOM 827 C ASP A 52 -8.286 -12.794 22.814 1.00 1.00 C ATOM 828 O ASP A 52 -9.512 -12.905 22.802 1.00 1.00 O ATOM 829 CB ASP A 52 -8.639 -10.434 22.075 1.00 1.00 C ATOM 830 CG ASP A 52 -9.146 -9.992 23.444 1.00 1.00 C ATOM 831 OD1 ASP A 52 -8.349 -9.487 24.215 1.00 1.00 O ATOM 832 OD2 ASP A 52 -10.327 -10.159 23.696 1.00 1.00 O ATOM 0 H ASP A 52 -7.613 -11.603 20.126 1.00 1.00 H new ATOM 0 HA ASP A 52 -6.814 -11.251 22.905 1.00 1.00 H new ATOM 0 HB2 ASP A 52 -8.190 -9.588 21.556 1.00 1.00 H new ATOM 0 HB3 ASP A 52 -9.474 -10.777 21.464 1.00 1.00 H new ATOM 837 N TRP A 53 -7.475 -13.712 23.344 1.00 1.00 N ATOM 838 CA TRP A 53 -7.989 -14.941 23.957 1.00 1.00 C ATOM 839 C TRP A 53 -9.200 -15.474 23.195 1.00 1.00 C ATOM 840 O TRP A 53 -10.342 -15.251 23.599 1.00 1.00 O ATOM 841 CB TRP A 53 -8.390 -14.664 25.410 1.00 1.00 C ATOM 842 CG TRP A 53 -7.176 -14.335 26.222 1.00 1.00 C ATOM 843 CD1 TRP A 53 -6.833 -13.093 26.640 1.00 1.00 C ATOM 844 CD2 TRP A 53 -6.147 -15.234 26.724 1.00 1.00 C ATOM 845 NE1 TRP A 53 -5.657 -13.174 27.367 1.00 1.00 N ATOM 846 CE2 TRP A 53 -5.194 -14.474 27.444 1.00 1.00 C ATOM 847 CE3 TRP A 53 -5.947 -16.620 26.622 1.00 1.00 C ATOM 848 CZ2 TRP A 53 -4.085 -15.071 28.047 1.00 1.00 C ATOM 849 CZ3 TRP A 53 -4.832 -17.224 27.227 1.00 1.00 C ATOM 850 CH2 TRP A 53 -3.902 -16.451 27.936 1.00 1.00 C ATOM 0 H TRP A 53 -6.459 -13.628 23.362 1.00 1.00 H new ATOM 0 HA TRP A 53 -7.200 -15.692 23.922 1.00 1.00 H new ATOM 0 HB2 TRP A 53 -9.099 -13.837 25.449 1.00 1.00 H new ATOM 0 HB3 TRP A 53 -8.893 -15.535 25.830 1.00 1.00 H new ATOM 0 HD1 TRP A 53 -7.386 -12.187 26.439 1.00 1.00 H new ATOM 0 HE1 TRP A 53 -5.190 -12.373 27.793 1.00 1.00 H new ATOM 0 HE3 TRP A 53 -6.655 -17.226 26.075 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 -3.374 -14.470 28.595 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 -4.690 -18.292 27.145 1.00 1.00 H new ATOM 0 HH2 TRP A 53 -3.046 -16.922 28.396 1.00 1.00 H new ATOM 861 N GLU A 54 -8.946 -16.178 22.093 1.00 1.00 N ATOM 862 CA GLU A 54 -10.033 -16.734 21.289 1.00 1.00 C ATOM 863 C GLU A 54 -9.576 -17.964 20.503 1.00 1.00 C ATOM 864 O GLU A 54 -8.507 -17.979 19.898 1.00 1.00 O ATOM 865 CB GLU A 54 -10.570 -15.667 20.326 1.00 1.00 C ATOM 866 CG GLU A 54 -9.434 -15.133 19.448 1.00 1.00 C ATOM 867 CD GLU A 54 -9.972 -14.070 18.493 1.00 1.00 C ATOM 868 OE1 GLU A 54 -11.181 -13.915 18.431 1.00 1.00 O ATOM 869 OE2 GLU A 54 -9.167 -13.421 17.847 1.00 1.00 O ATOM 0 H GLU A 54 -8.010 -16.375 21.740 1.00 1.00 H new ATOM 0 HA GLU A 54 -10.827 -17.046 21.968 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -11.355 -16.092 19.700 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -11.020 -14.850 20.890 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -8.648 -14.709 20.073 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -8.985 -15.949 18.882 1.00 1.00 H new ATOM 876 N LYS A 55 -10.419 -18.994 20.522 1.00 1.00 N ATOM 877 CA LYS A 55 -10.137 -20.242 19.811 1.00 1.00 C ATOM 878 C LYS A 55 -8.754 -20.796 20.158 1.00 1.00 C ATOM 879 O LYS A 55 -7.822 -20.688 19.365 1.00 1.00 O ATOM 880 CB LYS A 55 -10.229 -20.014 18.298 1.00 1.00 C ATOM 881 CG LYS A 55 -11.685 -19.746 17.898 1.00 1.00 C ATOM 882 CD LYS A 55 -11.772 -19.523 16.384 1.00 1.00 C ATOM 883 CE LYS A 55 -13.233 -19.328 15.968 1.00 1.00 C ATOM 884 NZ LYS A 55 -13.763 -18.075 16.572 1.00 1.00 N ATOM 0 H LYS A 55 -11.307 -18.990 21.024 1.00 1.00 H new ATOM 0 HA LYS A 55 -10.882 -20.973 20.125 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -9.602 -19.170 18.010 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -9.852 -20.887 17.766 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -12.313 -20.589 18.188 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -12.062 -18.871 18.427 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -11.185 -18.649 16.102 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -11.346 -20.377 15.857 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -13.309 -19.280 14.882 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -13.830 -20.180 16.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -14.650 -17.809 16.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -13.944 -18.227 17.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -13.066 -17.312 16.456 1.00 1.00 H new ATOM 898 N LYS A 56 -8.629 -21.401 21.344 1.00 1.00 N ATOM 899 CA LYS A 56 -7.352 -21.986 21.780 1.00 1.00 C ATOM 900 C LYS A 56 -7.584 -23.347 22.436 1.00 1.00 C ATOM 901 O LYS A 56 -8.383 -23.472 23.363 1.00 1.00 O ATOM 902 CB LYS A 56 -6.651 -21.049 22.770 1.00 1.00 C ATOM 903 CG LYS A 56 -5.266 -21.610 23.115 1.00 1.00 C ATOM 904 CD LYS A 56 -4.512 -20.610 23.998 1.00 1.00 C ATOM 905 CE LYS A 56 -3.116 -21.154 24.313 1.00 1.00 C ATOM 906 NZ LYS A 56 -3.230 -22.375 25.156 1.00 1.00 N ATOM 0 H LYS A 56 -9.389 -21.499 22.017 1.00 1.00 H new ATOM 0 HA LYS A 56 -6.718 -22.120 20.903 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -6.554 -20.053 22.338 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -7.249 -20.947 23.675 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -5.367 -22.564 23.633 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -4.702 -21.802 22.202 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -4.433 -19.649 23.490 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -5.063 -20.438 24.922 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -2.589 -21.387 23.388 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -2.529 -20.396 24.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -2.308 -22.585 25.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -3.936 -22.216 25.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -3.526 -23.178 24.565 1.00 1.00 H new ATOM 920 N GLY A 57 -6.877 -24.363 21.943 1.00 1.00 N ATOM 921 CA GLY A 57 -7.004 -25.718 22.480 1.00 1.00 C ATOM 922 C GLY A 57 -6.021 -25.944 23.620 1.00 1.00 C ATOM 923 O GLY A 57 -5.310 -25.024 24.027 1.00 1.00 O ATOM 0 H GLY A 57 -6.212 -24.275 21.175 1.00 1.00 H new ATOM 0 HA2 GLY A 57 -8.022 -25.879 22.835 1.00 1.00 H new ATOM 0 HA3 GLY A 57 -6.823 -26.446 21.689 1.00 1.00 H new ATOM 927 N ILE A 58 -5.984 -27.172 24.137 1.00 1.00 N ATOM 928 CA ILE A 58 -5.083 -27.512 25.238 1.00 1.00 C ATOM 929 C ILE A 58 -3.889 -28.318 24.732 1.00 1.00 C ATOM 930 O ILE A 58 -4.043 -29.278 23.980 1.00 1.00 O ATOM 931 CB ILE A 58 -5.841 -28.318 26.300 1.00 1.00 C ATOM 932 CG1 ILE A 58 -4.926 -28.568 27.500 1.00 1.00 C ATOM 933 CG2 ILE A 58 -6.288 -29.660 25.714 1.00 1.00 C ATOM 934 CD1 ILE A 58 -5.756 -29.073 28.681 1.00 1.00 C ATOM 0 H ILE A 58 -6.565 -27.945 23.813 1.00 1.00 H new ATOM 0 HA ILE A 58 -4.713 -26.587 25.679 1.00 1.00 H new ATOM 0 HB ILE A 58 -6.718 -27.754 26.618 1.00 1.00 H new ATOM 0 HG12 ILE A 58 -4.161 -29.300 27.241 1.00 1.00 H new ATOM 0 HG13 ILE A 58 -4.408 -27.649 27.773 1.00 1.00 H new ATOM 0 HG21 ILE A 58 -6.826 -30.228 26.473 1.00 1.00 H new ATOM 0 HG22 ILE A 58 -6.943 -29.484 24.861 1.00 1.00 H new ATOM 0 HG23 ILE A 58 -5.414 -30.225 25.390 1.00 1.00 H new ATOM 0 HD11 ILE A 58 -5.103 -29.251 29.535 1.00 1.00 H new ATOM 0 HD12 ILE A 58 -6.504 -28.326 28.946 1.00 1.00 H new ATOM 0 HD13 ILE A 58 -6.253 -30.003 28.405 1.00 1.00 H new ATOM 946 N ALA A 59 -2.696 -27.908 25.151 1.00 1.00 N ATOM 947 CA ALA A 59 -1.466 -28.584 24.746 1.00 1.00 C ATOM 948 C ALA A 59 -1.432 -28.813 23.233 1.00 1.00 C ATOM 949 O ALA A 59 -0.696 -29.671 22.746 1.00 1.00 O ATOM 950 CB ALA A 59 -1.346 -29.924 25.475 1.00 1.00 C ATOM 0 H ALA A 59 -2.554 -27.111 25.771 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.624 -27.945 25.013 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -0.427 -30.424 25.169 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -1.325 -29.752 26.551 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.201 -30.552 25.225 1.00 1.00 H new ATOM 956 N ILE A 60 -2.226 -28.040 22.496 1.00 1.00 N ATOM 957 CA ILE A 60 -2.279 -28.163 21.038 1.00 1.00 C ATOM 958 C ILE A 60 -2.549 -29.614 20.614 1.00 1.00 C ATOM 959 O ILE A 60 -2.597 -29.927 19.425 1.00 1.00 O ATOM 960 CB ILE A 60 -0.947 -27.679 20.436 1.00 1.00 C ATOM 961 CG1 ILE A 60 -0.774 -26.182 20.730 1.00 1.00 C ATOM 962 CG2 ILE A 60 -0.933 -27.906 18.914 1.00 1.00 C ATOM 963 CD1 ILE A 60 0.665 -25.763 20.421 1.00 1.00 C ATOM 0 H ILE A 60 -2.841 -27.323 22.881 1.00 1.00 H new ATOM 0 HA ILE A 60 -3.098 -27.546 20.667 1.00 1.00 H new ATOM 0 HB ILE A 60 -0.129 -28.244 20.883 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -1.471 -25.599 20.127 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -1.007 -25.977 21.775 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.015 -27.559 18.503 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -1.052 -28.969 18.704 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -1.752 -27.351 18.456 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.787 -24.700 20.630 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.352 -26.336 21.043 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.882 -25.953 19.370 1.00 1.00 H new ATOM 975 N ASP A 61 -2.735 -30.494 21.594 1.00 1.00 N ATOM 976 CA ASP A 61 -3.002 -31.905 21.320 1.00 1.00 C ATOM 977 C ASP A 61 -4.349 -32.087 20.616 1.00 1.00 C ATOM 978 O ASP A 61 -5.339 -31.450 20.977 1.00 1.00 O ATOM 979 CB ASP A 61 -2.990 -32.681 22.638 1.00 1.00 C ATOM 980 CG ASP A 61 -3.108 -34.178 22.372 1.00 1.00 C ATOM 981 OD1 ASP A 61 -2.199 -34.727 21.771 1.00 1.00 O ATOM 982 OD2 ASP A 61 -4.103 -34.753 22.780 1.00 1.00 O ATOM 0 H ASP A 61 -2.706 -30.256 22.585 1.00 1.00 H new ATOM 0 HA ASP A 61 -2.226 -32.287 20.657 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.069 -32.473 23.182 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -3.815 -32.351 23.270 1.00 1.00 H new ATOM 987 N PHE A 62 -4.373 -32.962 19.610 1.00 1.00 N ATOM 988 CA PHE A 62 -5.598 -33.227 18.852 1.00 1.00 C ATOM 989 C PHE A 62 -6.557 -34.105 19.651 1.00 1.00 C ATOM 990 O PHE A 62 -7.690 -33.694 19.840 1.00 1.00 O ATOM 991 CB PHE A 62 -5.259 -33.930 17.532 1.00 1.00 C ATOM 992 CG PHE A 62 -4.483 -32.995 16.633 1.00 1.00 C ATOM 993 CD1 PHE A 62 -5.165 -32.077 15.823 1.00 1.00 C ATOM 994 CD2 PHE A 62 -3.084 -33.055 16.596 1.00 1.00 C ATOM 995 CE1 PHE A 62 -4.449 -31.217 14.982 1.00 1.00 C ATOM 996 CE2 PHE A 62 -2.369 -32.196 15.751 1.00 1.00 C ATOM 997 CZ PHE A 62 -3.051 -31.278 14.943 1.00 1.00 C ATOM 0 H PHE A 62 -3.562 -33.498 19.301 1.00 1.00 H new ATOM 0 HA PHE A 62 -6.079 -32.270 18.650 1.00 1.00 H new ATOM 0 HB2 PHE A 62 -4.673 -34.828 17.729 1.00 1.00 H new ATOM 0 HB3 PHE A 62 -6.175 -34.249 17.035 1.00 1.00 H new ATOM 0 HD1 PHE A 62 -6.244 -32.033 15.848 1.00 1.00 H new ATOM 0 HD2 PHE A 62 -2.557 -33.763 17.218 1.00 1.00 H new ATOM 0 HE1 PHE A 62 -4.976 -30.506 14.363 1.00 1.00 H new ATOM 0 HE2 PHE A 62 -1.290 -32.242 15.723 1.00 1.00 H new ATOM 0 HZ PHE A 62 -2.499 -30.618 14.290 1.00 1.00 H new TER 1007 PHE A 62