USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ 156:sc= 2.3 (180deg=0.446) USER MOD Set 1.2: A 23 TYR OH : rot 15:sc= 1.06 USER MOD Set 2.1: A 14 LYS NZ :NH3+ -166:sc= 1.32 (180deg=0.0135) USER MOD Set 2.2: A 15 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.1: A 13 TYR OH : rot -21:sc= 1.54 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 169:sc= 2.01 (180deg=1.03) USER MOD Set 4.1: A 1 MET N :NH3+ -175:sc= 2.04 (180deg=0.812) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.977 K(o=3,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 2.36 (180deg=1.93) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.12) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 2.42 (180deg=2.18) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 112:sc= 1.29 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= 1.15 (180deg=0.968) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 2.2 (180deg=1.46) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.942) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.693 K(o=0.69,f=-4.4!) USER MOD Single : A 65 GLN : amide:sc= 1.22 K(o=1.2,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.960 -42.463 -5.197 1.00 0.00 N ATOM 2 CA MET A 1 19.004 -43.756 -4.509 1.00 0.00 C ATOM 3 C MET A 1 17.699 -44.585 -4.566 1.00 0.00 C ATOM 4 O MET A 1 17.779 -45.807 -4.711 1.00 0.00 O ATOM 5 CB MET A 1 19.412 -43.522 -3.027 1.00 0.00 C ATOM 6 CG MET A 1 20.884 -43.094 -2.788 1.00 0.00 C ATOM 7 SD MET A 1 22.103 -44.398 -3.120 1.00 0.00 S ATOM 8 CE MET A 1 22.981 -43.756 -4.569 1.00 0.00 C ATOM 0 H1 MET A 1 19.903 -42.025 -5.174 1.00 0.00 H new ATOM 0 H2 MET A 1 18.669 -42.605 -6.185 1.00 0.00 H new ATOM 0 H3 MET A 1 18.277 -41.840 -4.721 1.00 0.00 H new ATOM 0 HA MET A 1 19.740 -44.354 -5.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.759 -42.757 -2.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.226 -44.440 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.107 -42.234 -3.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.992 -42.766 -1.754 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.753 -44.464 -4.870 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.277 -43.617 -5.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.442 -42.800 -4.321 1.00 0.00 H new ATOM 20 N LEU A 2 16.495 -43.990 -4.490 1.00 0.00 N ATOM 21 CA LEU A 2 15.201 -44.701 -4.394 1.00 0.00 C ATOM 22 C LEU A 2 14.711 -45.445 -5.674 1.00 0.00 C ATOM 23 O LEU A 2 13.530 -45.408 -6.058 1.00 0.00 O ATOM 24 CB LEU A 2 14.131 -43.689 -3.868 1.00 0.00 C ATOM 25 CG LEU A 2 14.037 -43.502 -2.327 1.00 0.00 C ATOM 26 CD1 LEU A 2 15.301 -42.939 -1.654 1.00 0.00 C ATOM 27 CD2 LEU A 2 12.864 -42.567 -1.998 1.00 0.00 C ATOM 0 H LEU A 2 16.389 -42.976 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 2 15.358 -45.525 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.335 -42.716 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.154 -44.009 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 2 13.898 -44.507 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.132 -42.847 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 2 16.139 -43.613 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.529 -41.958 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.796 -42.434 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 2 13.026 -41.599 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.936 -43.003 -2.369 1.00 0.00 H new ATOM 39 N GLN A 3 15.631 -46.225 -6.270 1.00 0.00 N ATOM 40 CA GLN A 3 15.442 -46.928 -7.543 1.00 0.00 C ATOM 41 C GLN A 3 14.239 -47.884 -7.531 1.00 0.00 C ATOM 42 O GLN A 3 13.370 -47.738 -8.388 1.00 0.00 O ATOM 43 CB GLN A 3 16.732 -47.714 -7.908 1.00 0.00 C ATOM 44 CG GLN A 3 16.701 -48.301 -9.358 1.00 0.00 C ATOM 45 CD GLN A 3 17.782 -49.363 -9.573 1.00 0.00 C ATOM 46 OE1 GLN A 3 18.971 -49.132 -9.391 1.00 0.00 O ATOM 47 NE2 GLN A 3 17.430 -50.571 -9.977 1.00 0.00 N ATOM 0 H GLN A 3 16.553 -46.385 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 3 15.235 -46.167 -8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.594 -47.054 -7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 3 16.869 -48.527 -7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 3 15.721 -48.738 -9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 3 16.838 -47.494 -10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 3 16.446 -50.789 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 3 18.142 -51.285 -10.130 1.00 0.00 H new ATOM 56 N LYS A 4 14.160 -48.801 -6.550 1.00 0.00 N ATOM 57 CA LYS A 4 13.102 -49.815 -6.445 1.00 0.00 C ATOM 58 C LYS A 4 11.683 -49.218 -6.382 1.00 0.00 C ATOM 59 O LYS A 4 10.758 -49.743 -7.004 1.00 0.00 O ATOM 60 CB LYS A 4 13.346 -50.740 -5.221 1.00 0.00 C ATOM 61 CG LYS A 4 14.707 -51.486 -5.202 1.00 0.00 C ATOM 62 CD LYS A 4 14.972 -52.510 -6.338 1.00 0.00 C ATOM 63 CE LYS A 4 14.170 -53.823 -6.274 1.00 0.00 C ATOM 64 NZ LYS A 4 13.064 -53.798 -7.230 1.00 0.00 N ATOM 0 H LYS A 4 14.844 -48.857 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 4 13.155 -50.400 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.269 -50.140 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.546 -51.480 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.501 -50.740 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.792 -52.009 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.760 -52.026 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.034 -52.757 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.825 -54.667 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.783 -53.970 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.795 -54.772 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.249 -53.310 -6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.360 -53.293 -8.090 1.00 0.00 H new ATOM 78 N LYS A 5 11.519 -48.088 -5.683 1.00 0.00 N ATOM 79 CA LYS A 5 10.251 -47.362 -5.620 1.00 0.00 C ATOM 80 C LYS A 5 9.842 -46.759 -6.980 1.00 0.00 C ATOM 81 O LYS A 5 8.707 -46.996 -7.412 1.00 0.00 O ATOM 82 CB LYS A 5 10.319 -46.293 -4.510 1.00 0.00 C ATOM 83 CG LYS A 5 10.480 -46.899 -3.094 1.00 0.00 C ATOM 84 CD LYS A 5 10.362 -45.836 -1.975 1.00 0.00 C ATOM 85 CE LYS A 5 8.997 -45.755 -1.272 1.00 0.00 C ATOM 86 NZ LYS A 5 7.957 -45.350 -2.209 1.00 0.00 N ATOM 0 H LYS A 5 12.267 -47.652 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 5 9.466 -48.076 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.155 -45.623 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.412 -45.689 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.721 -47.666 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.450 -47.391 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.125 -46.040 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.588 -44.859 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.747 -46.724 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.048 -45.043 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.128 -45.008 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.317 -44.589 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.683 -46.164 -2.796 1.00 0.00 H new ATOM 100 N ILE A 6 10.731 -46.027 -7.686 1.00 0.00 N ATOM 101 CA ILE A 6 10.420 -45.564 -9.058 1.00 0.00 C ATOM 102 C ILE A 6 10.270 -46.757 -10.021 1.00 0.00 C ATOM 103 O ILE A 6 9.351 -46.752 -10.836 1.00 0.00 O ATOM 104 CB ILE A 6 11.396 -44.471 -9.632 1.00 0.00 C ATOM 105 CG1 ILE A 6 11.268 -43.137 -8.867 1.00 0.00 C ATOM 106 CG2 ILE A 6 11.189 -44.117 -11.151 1.00 0.00 C ATOM 107 CD1 ILE A 6 11.992 -43.068 -7.513 1.00 0.00 C ATOM 0 H ILE A 6 11.649 -45.749 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 6 9.462 -45.051 -8.975 1.00 0.00 H new ATOM 0 HB ILE A 6 12.375 -44.934 -9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.650 -42.338 -9.502 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.210 -42.935 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.910 -43.355 -11.449 1.00 0.00 H new ATOM 0 HG22 ILE A 6 11.336 -45.011 -11.756 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.178 -43.739 -11.302 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.834 -42.087 -7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.597 -43.837 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.059 -43.231 -7.662 1.00 0.00 H new ATOM 119 N GLU A 7 11.117 -47.791 -9.904 1.00 0.00 N ATOM 120 CA GLU A 7 11.009 -49.044 -10.659 1.00 0.00 C ATOM 121 C GLU A 7 9.654 -49.743 -10.446 1.00 0.00 C ATOM 122 O GLU A 7 8.991 -50.008 -11.438 1.00 0.00 O ATOM 123 CB GLU A 7 12.184 -49.932 -10.209 1.00 0.00 C ATOM 124 CG GLU A 7 12.502 -51.228 -10.996 1.00 0.00 C ATOM 125 CD GLU A 7 13.723 -51.913 -10.373 1.00 0.00 C ATOM 126 OE1 GLU A 7 14.846 -51.462 -10.607 1.00 0.00 O ATOM 127 OE2 GLU A 7 13.542 -52.864 -9.610 1.00 0.00 O ATOM 0 H GLU A 7 11.913 -47.777 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 7 11.058 -48.844 -11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.083 -49.315 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.002 -50.215 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.644 -51.900 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.697 -50.993 -12.042 1.00 0.00 H new ATOM 134 N GLU A 8 9.158 -50.017 -9.230 1.00 0.00 N ATOM 135 CA GLU A 8 7.832 -50.631 -9.045 1.00 0.00 C ATOM 136 C GLU A 8 6.627 -49.720 -9.392 1.00 0.00 C ATOM 137 O GLU A 8 5.505 -50.214 -9.535 1.00 0.00 O ATOM 138 CB GLU A 8 7.736 -51.235 -7.614 1.00 0.00 C ATOM 139 CG GLU A 8 8.315 -52.689 -7.479 1.00 0.00 C ATOM 140 CD GLU A 8 9.810 -52.845 -7.787 1.00 0.00 C ATOM 141 OE1 GLU A 8 10.158 -53.103 -8.937 1.00 0.00 O ATOM 142 OE2 GLU A 8 10.629 -52.773 -6.868 1.00 0.00 O ATOM 0 H GLU A 8 9.654 -49.824 -8.360 1.00 0.00 H new ATOM 0 HA GLU A 8 7.753 -51.429 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.266 -50.581 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.690 -51.244 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.135 -53.038 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.756 -53.346 -8.146 1.00 0.00 H new ATOM 149 N GLU A 9 6.807 -48.396 -9.511 1.00 0.00 N ATOM 150 CA GLU A 9 5.805 -47.502 -10.111 1.00 0.00 C ATOM 151 C GLU A 9 5.923 -47.285 -11.628 1.00 0.00 C ATOM 152 O GLU A 9 4.900 -47.052 -12.274 1.00 0.00 O ATOM 153 CB GLU A 9 5.863 -46.154 -9.361 1.00 0.00 C ATOM 154 CG GLU A 9 5.466 -46.266 -7.849 1.00 0.00 C ATOM 155 CD GLU A 9 3.971 -46.438 -7.541 1.00 0.00 C ATOM 156 OE1 GLU A 9 3.200 -46.966 -8.347 1.00 0.00 O ATOM 157 OE2 GLU A 9 3.591 -46.035 -6.443 1.00 0.00 O ATOM 0 H GLU A 9 7.649 -47.916 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 9 4.840 -47.995 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.872 -45.748 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.197 -45.444 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.002 -47.111 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.818 -45.371 -7.337 1.00 0.00 H new ATOM 164 N ALA A 10 7.126 -47.187 -12.193 1.00 0.00 N ATOM 165 CA ALA A 10 7.379 -47.204 -13.641 1.00 0.00 C ATOM 166 C ALA A 10 7.992 -48.440 -14.353 1.00 0.00 C ATOM 167 O ALA A 10 8.545 -48.255 -15.446 1.00 0.00 O ATOM 168 CB ALA A 10 8.214 -45.915 -13.868 1.00 0.00 C ATOM 0 H ALA A 10 7.980 -47.091 -11.643 1.00 0.00 H new ATOM 0 HA ALA A 10 6.405 -47.263 -14.128 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.462 -45.824 -14.925 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.635 -45.046 -13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.132 -45.968 -13.283 1.00 0.00 H new ATOM 174 N ALA A 11 7.872 -49.692 -13.885 1.00 0.00 N ATOM 175 CA ALA A 11 8.468 -50.919 -14.462 1.00 0.00 C ATOM 176 C ALA A 11 8.161 -51.332 -15.930 1.00 0.00 C ATOM 177 O ALA A 11 8.276 -52.513 -16.271 1.00 0.00 O ATOM 178 CB ALA A 11 8.056 -52.067 -13.496 1.00 0.00 C ATOM 0 H ALA A 11 7.327 -49.893 -13.047 1.00 0.00 H new ATOM 0 HA ALA A 11 9.533 -50.703 -14.544 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.462 -53.011 -13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.448 -51.862 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.969 -52.133 -13.452 1.00 0.00 H new ATOM 184 N LYS A 12 7.843 -50.377 -16.821 1.00 0.00 N ATOM 185 CA LYS A 12 7.419 -50.583 -18.220 1.00 0.00 C ATOM 186 C LYS A 12 6.256 -51.595 -18.356 1.00 0.00 C ATOM 187 O LYS A 12 6.232 -52.483 -19.212 1.00 0.00 O ATOM 188 CB LYS A 12 8.647 -50.957 -19.108 1.00 0.00 C ATOM 189 CG LYS A 12 9.704 -49.838 -19.197 1.00 0.00 C ATOM 190 CD LYS A 12 10.909 -50.272 -20.047 1.00 0.00 C ATOM 191 CE LYS A 12 11.958 -49.166 -20.118 1.00 0.00 C ATOM 192 NZ LYS A 12 13.060 -49.663 -20.927 1.00 0.00 N ATOM 0 H LYS A 12 7.876 -49.388 -16.573 1.00 0.00 H new ATOM 0 HA LYS A 12 7.015 -49.638 -18.584 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.114 -51.857 -18.708 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.299 -51.198 -20.112 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.254 -48.944 -19.630 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.040 -49.572 -18.195 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.353 -51.172 -19.621 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.576 -50.526 -21.053 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.535 -48.263 -20.559 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.304 -48.901 -19.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.796 -48.932 -20.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.459 -50.515 -20.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.713 -49.898 -21.879 1.00 0.00 H new ATOM 206 N TYR A 13 5.236 -51.402 -17.512 1.00 0.00 N ATOM 207 CA TYR A 13 4.326 -52.459 -17.128 1.00 0.00 C ATOM 208 C TYR A 13 2.872 -52.161 -17.571 1.00 0.00 C ATOM 209 O TYR A 13 2.628 -51.541 -18.608 1.00 0.00 O ATOM 210 CB TYR A 13 4.578 -52.663 -15.585 1.00 0.00 C ATOM 211 CG TYR A 13 4.049 -51.549 -14.646 1.00 0.00 C ATOM 212 CD1 TYR A 13 4.508 -50.229 -14.627 1.00 0.00 C ATOM 213 CD2 TYR A 13 3.048 -51.867 -13.734 1.00 0.00 C ATOM 214 CE1 TYR A 13 3.962 -49.318 -13.759 1.00 0.00 C ATOM 215 CE2 TYR A 13 2.517 -50.943 -12.854 1.00 0.00 C ATOM 216 CZ TYR A 13 2.981 -49.657 -12.870 1.00 0.00 C ATOM 217 OH TYR A 13 2.508 -48.713 -12.008 1.00 0.00 O ATOM 0 H TYR A 13 5.028 -50.501 -17.081 1.00 0.00 H new ATOM 0 HA TYR A 13 4.505 -53.406 -17.638 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.121 -53.607 -15.286 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.651 -52.763 -15.425 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.297 -49.925 -15.299 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.670 -52.878 -13.713 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.319 -48.299 -13.779 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.742 -51.234 -12.160 1.00 0.00 H new ATOM 0 HH TYR A 13 3.168 -47.995 -11.915 1.00 0.00 H new ATOM 227 N LYS A 14 1.897 -52.599 -16.776 1.00 0.00 N ATOM 228 CA LYS A 14 0.465 -52.519 -17.072 1.00 0.00 C ATOM 229 C LYS A 14 -0.069 -51.075 -16.973 1.00 0.00 C ATOM 230 O LYS A 14 -0.800 -50.604 -17.849 1.00 0.00 O ATOM 231 CB LYS A 14 -0.258 -53.482 -16.090 1.00 0.00 C ATOM 232 CG LYS A 14 -1.749 -53.738 -16.408 1.00 0.00 C ATOM 233 CD LYS A 14 -2.347 -54.751 -15.401 1.00 0.00 C ATOM 234 CE LYS A 14 -3.822 -55.107 -15.634 1.00 0.00 C ATOM 235 NZ LYS A 14 -4.668 -53.947 -15.371 1.00 0.00 N ATOM 0 H LYS A 14 2.088 -53.036 -15.874 1.00 0.00 H new ATOM 0 HA LYS A 14 0.274 -52.819 -18.102 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.267 -54.437 -16.088 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.181 -53.074 -15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.303 -52.801 -16.364 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.851 -54.121 -17.423 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.758 -55.667 -15.438 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.242 -54.345 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.964 -55.445 -16.660 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.112 -55.932 -14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.660 -54.250 -15.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.376 -53.500 -14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.571 -53.263 -16.149 1.00 0.00 H new ATOM 249 N TYR A 15 0.324 -50.342 -15.923 1.00 0.00 N ATOM 250 CA TYR A 15 -0.148 -48.977 -15.697 1.00 0.00 C ATOM 251 C TYR A 15 0.851 -47.912 -16.194 1.00 0.00 C ATOM 252 O TYR A 15 1.493 -47.161 -15.448 1.00 0.00 O ATOM 253 CB TYR A 15 -0.552 -48.802 -14.213 1.00 0.00 C ATOM 254 CG TYR A 15 -1.638 -49.812 -13.811 1.00 0.00 C ATOM 255 CD1 TYR A 15 -2.847 -49.876 -14.483 1.00 0.00 C ATOM 256 CD2 TYR A 15 -1.409 -50.754 -12.822 1.00 0.00 C ATOM 257 CE1 TYR A 15 -3.776 -50.853 -14.200 1.00 0.00 C ATOM 258 CE2 TYR A 15 -2.332 -51.738 -12.532 1.00 0.00 C ATOM 259 CZ TYR A 15 -3.511 -51.791 -13.236 1.00 0.00 C ATOM 260 OH TYR A 15 -4.395 -52.810 -13.047 1.00 0.00 O ATOM 0 H TYR A 15 0.974 -50.679 -15.213 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.039 -48.813 -16.302 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.324 -48.933 -13.577 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.916 -47.788 -14.049 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.066 -49.144 -15.246 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.485 -50.718 -12.264 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.713 -50.880 -14.737 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.129 -52.462 -11.757 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.071 -53.395 -12.331 1.00 0.00 H new ATOM 270 N ALA A 16 0.904 -47.879 -17.532 1.00 0.00 N ATOM 271 CA ALA A 16 1.693 -46.927 -18.317 1.00 0.00 C ATOM 272 C ALA A 16 1.302 -45.449 -18.091 1.00 0.00 C ATOM 273 O ALA A 16 2.158 -44.563 -18.080 1.00 0.00 O ATOM 274 CB ALA A 16 1.550 -47.317 -19.802 1.00 0.00 C ATOM 0 H ALA A 16 0.382 -48.535 -18.113 1.00 0.00 H new ATOM 0 HA ALA A 16 2.730 -46.990 -17.988 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.127 -46.626 -20.417 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.922 -48.331 -19.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.500 -47.270 -20.091 1.00 0.00 H new ATOM 280 N MET A 17 0.005 -45.196 -17.876 1.00 0.00 N ATOM 281 CA MET A 17 -0.533 -43.880 -17.516 1.00 0.00 C ATOM 282 C MET A 17 -0.081 -43.401 -16.119 1.00 0.00 C ATOM 283 O MET A 17 0.125 -42.206 -15.897 1.00 0.00 O ATOM 284 CB MET A 17 -2.080 -43.937 -17.580 1.00 0.00 C ATOM 285 CG MET A 17 -2.624 -44.198 -19.004 1.00 0.00 C ATOM 286 SD MET A 17 -4.426 -44.377 -19.036 1.00 0.00 S ATOM 287 CE MET A 17 -4.594 -46.173 -18.871 1.00 0.00 C ATOM 0 H MET A 17 -0.714 -45.916 -17.949 1.00 0.00 H new ATOM 0 HA MET A 17 -0.140 -43.157 -18.231 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.436 -44.722 -16.913 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.487 -42.996 -17.210 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.332 -43.376 -19.657 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.165 -45.102 -19.405 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.650 -46.441 -18.874 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.092 -46.664 -19.705 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.140 -46.496 -17.934 1.00 0.00 H new ATOM 297 N LEU A 18 0.115 -44.334 -15.180 1.00 0.00 N ATOM 298 CA LEU A 18 0.500 -44.015 -13.805 1.00 0.00 C ATOM 299 C LEU A 18 2.032 -43.921 -13.660 1.00 0.00 C ATOM 300 O LEU A 18 2.542 -43.090 -12.908 1.00 0.00 O ATOM 301 CB LEU A 18 -0.186 -45.009 -12.825 1.00 0.00 C ATOM 302 CG LEU A 18 -1.730 -45.135 -13.048 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.363 -46.133 -12.079 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.476 -43.805 -12.875 1.00 0.00 C ATOM 0 H LEU A 18 0.010 -45.333 -15.355 1.00 0.00 H new ATOM 0 HA LEU A 18 0.139 -43.022 -13.536 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.271 -45.992 -12.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.001 -44.685 -11.801 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.830 -45.476 -14.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.435 -46.192 -12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.915 -47.116 -12.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.191 -45.804 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.542 -43.961 -13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.319 -43.429 -11.864 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.098 -43.079 -13.595 1.00 0.00 H new ATOM 316 N LYS A 19 2.802 -44.750 -14.370 1.00 0.00 N ATOM 317 CA LYS A 19 4.153 -44.382 -14.812 1.00 0.00 C ATOM 318 C LYS A 19 4.266 -42.993 -15.498 1.00 0.00 C ATOM 319 O LYS A 19 5.221 -42.267 -15.219 1.00 0.00 O ATOM 320 CB LYS A 19 4.578 -45.513 -15.793 1.00 0.00 C ATOM 321 CG LYS A 19 5.837 -45.300 -16.673 1.00 0.00 C ATOM 322 CD LYS A 19 6.138 -46.576 -17.485 1.00 0.00 C ATOM 323 CE LYS A 19 7.425 -46.535 -18.319 1.00 0.00 C ATOM 324 NZ LYS A 19 8.607 -46.619 -17.460 1.00 0.00 N ATOM 0 H LYS A 19 2.512 -45.686 -14.653 1.00 0.00 H new ATOM 0 HA LYS A 19 4.802 -44.288 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.734 -46.418 -15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.737 -45.706 -16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.680 -44.459 -17.348 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.692 -45.050 -16.044 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.198 -47.419 -16.797 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.298 -46.768 -18.153 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.428 -47.361 -19.031 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.457 -45.613 -18.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.409 -46.991 -18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.843 -45.672 -17.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.410 -47.254 -16.660 1.00 0.00 H new ATOM 338 N LYS A 20 3.370 -42.565 -16.402 1.00 0.00 N ATOM 339 CA LYS A 20 3.353 -41.179 -16.900 1.00 0.00 C ATOM 340 C LYS A 20 2.973 -40.143 -15.801 1.00 0.00 C ATOM 341 O LYS A 20 3.327 -38.963 -15.929 1.00 0.00 O ATOM 342 CB LYS A 20 2.410 -41.104 -18.132 1.00 0.00 C ATOM 343 CG LYS A 20 2.501 -39.776 -18.932 1.00 0.00 C ATOM 344 CD LYS A 20 1.148 -39.022 -19.031 1.00 0.00 C ATOM 345 CE LYS A 20 1.253 -37.543 -18.638 1.00 0.00 C ATOM 346 NZ LYS A 20 1.391 -37.457 -17.188 1.00 0.00 N ATOM 0 H LYS A 20 2.646 -43.160 -16.804 1.00 0.00 H new ATOM 0 HA LYS A 20 4.364 -40.905 -17.202 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.640 -41.933 -18.801 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.382 -41.241 -17.796 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.237 -39.126 -18.460 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.863 -39.990 -19.937 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.772 -39.095 -20.052 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.418 -39.512 -18.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.110 -37.081 -19.128 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.367 -37.000 -18.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.344 -36.461 -16.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.621 -37.989 -16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.306 -37.860 -16.902 1.00 0.00 H new ATOM 360 N CYS A 21 2.224 -40.501 -14.739 1.00 0.00 N ATOM 361 CA CYS A 21 2.164 -39.717 -13.488 1.00 0.00 C ATOM 362 C CYS A 21 3.518 -39.596 -12.749 1.00 0.00 C ATOM 363 O CYS A 21 3.828 -38.517 -12.231 1.00 0.00 O ATOM 364 CB CYS A 21 1.117 -40.288 -12.519 1.00 0.00 C ATOM 365 SG CYS A 21 -0.617 -40.078 -12.999 1.00 0.00 S ATOM 0 H CYS A 21 1.644 -41.340 -14.724 1.00 0.00 H new ATOM 0 HA CYS A 21 1.879 -38.714 -13.806 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.311 -41.353 -12.394 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.262 -39.821 -11.545 1.00 0.00 H new ATOM 370 N CYS A 22 4.327 -40.675 -12.688 1.00 0.00 N ATOM 371 CA CYS A 22 5.763 -40.589 -12.354 1.00 0.00 C ATOM 372 C CYS A 22 6.450 -39.522 -13.193 1.00 0.00 C ATOM 373 O CYS A 22 7.039 -38.586 -12.660 1.00 0.00 O ATOM 374 CB CYS A 22 6.458 -41.979 -12.365 1.00 0.00 C ATOM 375 SG CYS A 22 7.773 -42.206 -11.130 1.00 0.00 S ATOM 0 H CYS A 22 4.004 -41.626 -12.868 1.00 0.00 H new ATOM 0 HA CYS A 22 5.860 -40.258 -11.320 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.700 -42.746 -12.208 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.881 -42.147 -13.356 1.00 0.00 H new ATOM 380 N TYR A 23 6.302 -39.587 -14.501 1.00 0.00 N ATOM 381 CA TYR A 23 7.022 -38.670 -15.370 1.00 0.00 C ATOM 382 C TYR A 23 6.478 -37.220 -15.343 1.00 0.00 C ATOM 383 O TYR A 23 7.231 -36.265 -15.553 1.00 0.00 O ATOM 384 CB TYR A 23 7.141 -39.372 -16.707 1.00 0.00 C ATOM 385 CG TYR A 23 7.818 -40.768 -16.597 1.00 0.00 C ATOM 386 CD1 TYR A 23 8.357 -41.397 -15.444 1.00 0.00 C ATOM 387 CD2 TYR A 23 7.960 -41.432 -17.799 1.00 0.00 C ATOM 388 CE1 TYR A 23 9.028 -42.601 -15.567 1.00 0.00 C ATOM 389 CE2 TYR A 23 8.628 -42.627 -17.910 1.00 0.00 C ATOM 390 CZ TYR A 23 9.165 -43.206 -16.791 1.00 0.00 C ATOM 391 OH TYR A 23 9.862 -44.365 -16.918 1.00 0.00 O ATOM 0 H TYR A 23 5.699 -40.254 -14.983 1.00 0.00 H new ATOM 0 HA TYR A 23 8.032 -38.462 -15.018 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.148 -39.488 -17.141 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.716 -38.747 -17.390 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.244 -40.937 -14.473 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.529 -40.994 -18.687 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.449 -43.070 -14.690 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.729 -43.106 -18.872 1.00 0.00 H new ATOM 0 HH TYR A 23 9.999 -44.763 -16.033 1.00 0.00 H new ATOM 401 N ASP A 24 5.184 -37.060 -15.016 1.00 0.00 N ATOM 402 CA ASP A 24 4.591 -35.795 -14.558 1.00 0.00 C ATOM 403 C ASP A 24 5.247 -35.237 -13.276 1.00 0.00 C ATOM 404 O ASP A 24 5.328 -34.018 -13.126 1.00 0.00 O ATOM 405 CB ASP A 24 3.076 -36.038 -14.295 1.00 0.00 C ATOM 406 CG ASP A 24 2.204 -34.927 -14.859 1.00 0.00 C ATOM 407 OD1 ASP A 24 2.057 -33.895 -14.212 1.00 0.00 O ATOM 408 OD2 ASP A 24 1.661 -35.149 -15.943 1.00 0.00 O ATOM 0 H ASP A 24 4.509 -37.823 -15.064 1.00 0.00 H new ATOM 0 HA ASP A 24 4.756 -35.052 -15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.781 -36.989 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.905 -36.121 -13.222 1.00 0.00 H new ATOM 413 N GLY A 25 5.648 -36.100 -12.328 1.00 0.00 N ATOM 414 CA GLY A 25 6.501 -35.714 -11.192 1.00 0.00 C ATOM 415 C GLY A 25 7.980 -35.478 -11.521 1.00 0.00 C ATOM 416 O GLY A 25 8.582 -34.568 -10.952 1.00 0.00 O ATOM 0 H GLY A 25 5.389 -37.087 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.096 -34.803 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.437 -36.493 -10.432 1.00 0.00 H new ATOM 420 N ALA A 26 8.581 -36.297 -12.397 1.00 0.00 N ATOM 421 CA ALA A 26 9.978 -36.148 -12.826 1.00 0.00 C ATOM 422 C ALA A 26 10.274 -34.848 -13.597 1.00 0.00 C ATOM 423 O ALA A 26 11.315 -34.230 -13.352 1.00 0.00 O ATOM 424 CB ALA A 26 10.395 -37.368 -13.671 1.00 0.00 C ATOM 0 H ALA A 26 8.106 -37.088 -12.831 1.00 0.00 H new ATOM 0 HA ALA A 26 10.568 -36.089 -11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.432 -37.254 -13.988 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.295 -38.275 -13.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.753 -37.439 -14.549 1.00 0.00 H new ATOM 430 N TYR A 27 9.408 -34.402 -14.523 1.00 0.00 N ATOM 431 CA TYR A 27 9.575 -33.104 -15.192 1.00 0.00 C ATOM 432 C TYR A 27 9.236 -31.904 -14.272 1.00 0.00 C ATOM 433 O TYR A 27 8.224 -31.204 -14.420 1.00 0.00 O ATOM 434 CB TYR A 27 8.773 -33.084 -16.525 1.00 0.00 C ATOM 435 CG TYR A 27 9.446 -33.965 -17.589 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.457 -33.473 -18.399 1.00 0.00 C ATOM 437 CD2 TYR A 27 9.069 -35.283 -17.779 1.00 0.00 C ATOM 438 CE1 TYR A 27 11.068 -34.263 -19.354 1.00 0.00 C ATOM 439 CE2 TYR A 27 9.672 -36.080 -18.731 1.00 0.00 C ATOM 440 CZ TYR A 27 10.671 -35.569 -19.517 1.00 0.00 C ATOM 441 OH TYR A 27 11.256 -36.363 -20.449 1.00 0.00 O ATOM 0 H TYR A 27 8.585 -34.923 -14.824 1.00 0.00 H new ATOM 0 HA TYR A 27 10.632 -32.985 -15.431 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.757 -33.436 -16.347 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.696 -32.060 -16.892 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.775 -32.448 -18.281 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.283 -35.699 -17.166 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.855 -33.855 -19.971 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.357 -37.105 -18.856 1.00 0.00 H new ATOM 0 HH TYR A 27 10.849 -37.254 -20.422 1.00 0.00 H new ATOM 451 N ARG A 28 10.111 -31.680 -13.281 1.00 0.00 N ATOM 452 CA ARG A 28 9.962 -30.600 -12.304 1.00 0.00 C ATOM 453 C ARG A 28 11.184 -29.649 -12.269 1.00 0.00 C ATOM 454 O ARG A 28 12.324 -30.070 -12.486 1.00 0.00 O ATOM 455 CB ARG A 28 9.767 -31.268 -10.926 1.00 0.00 C ATOM 456 CG ARG A 28 8.934 -30.413 -9.947 1.00 0.00 C ATOM 457 CD ARG A 28 9.404 -30.577 -8.508 1.00 0.00 C ATOM 458 NE ARG A 28 10.682 -29.877 -8.399 1.00 0.00 N ATOM 459 CZ ARG A 28 11.537 -29.976 -7.430 1.00 0.00 C ATOM 460 NH1 ARG A 28 11.393 -30.731 -6.407 1.00 0.00 N ATOM 461 NH2 ARG A 28 12.564 -29.237 -7.523 1.00 0.00 N ATOM 0 H ARG A 28 10.946 -32.248 -13.137 1.00 0.00 H new ATOM 0 HA ARG A 28 9.110 -29.979 -12.580 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.277 -32.232 -11.063 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.744 -31.466 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.002 -29.364 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.884 -30.696 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.675 -30.161 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.518 -31.631 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 28 10.926 -29.247 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.559 -31.310 -6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.113 -30.754 -5.685 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.675 -28.617 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.279 -29.263 -6.796 1.00 0.00 H new ATOM 475 N ASN A 29 10.972 -28.353 -11.985 1.00 0.00 N ATOM 476 CA ASN A 29 12.051 -27.355 -11.953 1.00 0.00 C ATOM 477 C ASN A 29 12.267 -26.815 -10.513 1.00 0.00 C ATOM 478 O ASN A 29 12.356 -27.613 -9.575 1.00 0.00 O ATOM 479 CB ASN A 29 11.700 -26.230 -12.980 1.00 0.00 C ATOM 480 CG ASN A 29 11.560 -26.773 -14.402 1.00 0.00 C ATOM 481 OD1 ASN A 29 12.497 -26.756 -15.188 1.00 0.00 O ATOM 482 ND2 ASN A 29 10.403 -27.258 -14.807 1.00 0.00 N ATOM 0 H ASN A 29 10.051 -27.970 -11.772 1.00 0.00 H new ATOM 0 HA ASN A 29 13.001 -27.805 -12.241 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.769 -25.747 -12.684 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.477 -25.465 -12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.303 -27.609 -15.759 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.608 -27.282 -14.168 1.00 0.00 H new ATOM 489 N ASP A 30 12.402 -25.496 -10.274 1.00 0.00 N ATOM 490 CA ASP A 30 12.323 -24.884 -8.938 1.00 0.00 C ATOM 491 C ASP A 30 10.917 -24.860 -8.290 1.00 0.00 C ATOM 492 O ASP A 30 10.737 -24.281 -7.214 1.00 0.00 O ATOM 493 CB ASP A 30 12.907 -23.446 -9.006 1.00 0.00 C ATOM 494 CG ASP A 30 14.395 -23.475 -9.330 1.00 0.00 C ATOM 495 OD1 ASP A 30 15.196 -23.563 -8.399 1.00 0.00 O ATOM 496 OD2 ASP A 30 14.731 -23.431 -10.510 1.00 0.00 O ATOM 0 H ASP A 30 12.571 -24.818 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 30 12.910 -25.529 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.377 -22.870 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.748 -22.940 -8.054 1.00 0.00 H new ATOM 501 N ASP A 31 9.886 -25.465 -8.893 1.00 0.00 N ATOM 502 CA ASP A 31 8.562 -25.588 -8.283 1.00 0.00 C ATOM 503 C ASP A 31 8.497 -26.761 -7.271 1.00 0.00 C ATOM 504 O ASP A 31 7.783 -27.750 -7.446 1.00 0.00 O ATOM 505 CB ASP A 31 7.469 -25.612 -9.408 1.00 0.00 C ATOM 506 CG ASP A 31 7.619 -26.727 -10.449 1.00 0.00 C ATOM 507 OD1 ASP A 31 8.711 -26.933 -10.991 1.00 0.00 O ATOM 508 OD2 ASP A 31 6.616 -27.371 -10.750 1.00 0.00 O ATOM 0 H ASP A 31 9.950 -25.884 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 31 8.350 -24.712 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.490 -25.707 -8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.483 -24.652 -9.924 1.00 0.00 H new ATOM 513 N GLU A 32 9.256 -26.583 -6.175 1.00 0.00 N ATOM 514 CA GLU A 32 9.427 -27.550 -5.080 1.00 0.00 C ATOM 515 C GLU A 32 8.134 -28.018 -4.370 1.00 0.00 C ATOM 516 O GLU A 32 8.154 -29.041 -3.680 1.00 0.00 O ATOM 517 CB GLU A 32 10.398 -26.925 -4.017 1.00 0.00 C ATOM 518 CG GLU A 32 11.833 -27.561 -3.927 1.00 0.00 C ATOM 519 CD GLU A 32 12.827 -27.171 -5.033 1.00 0.00 C ATOM 520 OE1 GLU A 32 12.764 -26.067 -5.570 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.707 -27.982 -5.338 1.00 0.00 O ATOM 0 H GLU A 32 9.788 -25.726 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 32 9.825 -28.450 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.507 -25.863 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.928 -27.002 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.268 -27.287 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.726 -28.646 -3.931 1.00 0.00 H new ATOM 528 N THR A 33 6.992 -27.327 -4.505 1.00 0.00 N ATOM 529 CA THR A 33 5.732 -27.669 -3.845 1.00 0.00 C ATOM 530 C THR A 33 4.952 -28.768 -4.596 1.00 0.00 C ATOM 531 O THR A 33 3.877 -28.565 -5.171 1.00 0.00 O ATOM 532 CB THR A 33 4.909 -26.367 -3.638 1.00 0.00 C ATOM 533 OG1 THR A 33 4.864 -25.577 -4.823 1.00 0.00 O ATOM 534 CG2 THR A 33 5.529 -25.476 -2.573 1.00 0.00 C ATOM 0 H THR A 33 6.922 -26.495 -5.091 1.00 0.00 H new ATOM 0 HA THR A 33 5.943 -28.105 -2.868 1.00 0.00 H new ATOM 0 HB THR A 33 3.913 -26.700 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.949 -25.567 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.926 -24.575 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.566 -26.013 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.540 -25.200 -2.873 1.00 0.00 H new ATOM 542 N CYS A 34 5.531 -29.976 -4.511 1.00 0.00 N ATOM 543 CA CYS A 34 5.044 -31.189 -5.180 1.00 0.00 C ATOM 544 C CYS A 34 3.602 -31.574 -4.821 1.00 0.00 C ATOM 545 O CYS A 34 2.831 -31.919 -5.711 1.00 0.00 O ATOM 546 CB CYS A 34 5.967 -32.393 -4.866 1.00 0.00 C ATOM 547 SG CYS A 34 7.555 -32.398 -5.734 1.00 0.00 S ATOM 0 H CYS A 34 6.374 -30.139 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 34 5.058 -30.948 -6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.158 -32.413 -3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.434 -33.312 -5.112 1.00 0.00 H new ATOM 552 N GLU A 35 3.228 -31.518 -3.537 1.00 0.00 N ATOM 553 CA GLU A 35 1.866 -31.812 -3.076 1.00 0.00 C ATOM 554 C GLU A 35 0.832 -30.744 -3.488 1.00 0.00 C ATOM 555 O GLU A 35 -0.355 -31.046 -3.547 1.00 0.00 O ATOM 556 CB GLU A 35 1.843 -31.968 -1.526 1.00 0.00 C ATOM 557 CG GLU A 35 2.706 -33.129 -0.920 1.00 0.00 C ATOM 558 CD GLU A 35 4.231 -32.924 -0.947 1.00 0.00 C ATOM 559 OE1 GLU A 35 4.720 -31.814 -1.172 1.00 0.00 O ATOM 560 OE2 GLU A 35 4.939 -33.910 -0.746 1.00 0.00 O ATOM 0 H GLU A 35 3.867 -31.265 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 35 1.580 -32.744 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.178 -31.029 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.809 -32.115 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.399 -33.281 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.474 -34.047 -1.460 1.00 0.00 H new ATOM 567 N GLU A 36 1.245 -29.497 -3.753 1.00 0.00 N ATOM 568 CA GLU A 36 0.392 -28.455 -4.335 1.00 0.00 C ATOM 569 C GLU A 36 0.101 -28.750 -5.823 1.00 0.00 C ATOM 570 O GLU A 36 -1.057 -28.818 -6.256 1.00 0.00 O ATOM 571 CB GLU A 36 1.114 -27.096 -4.086 1.00 0.00 C ATOM 572 CG GLU A 36 0.582 -25.827 -4.835 1.00 0.00 C ATOM 573 CD GLU A 36 1.276 -25.611 -6.187 1.00 0.00 C ATOM 574 OE1 GLU A 36 2.508 -25.533 -6.210 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.580 -25.546 -7.200 1.00 0.00 O ATOM 0 H GLU A 36 2.196 -29.180 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.592 -28.421 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.078 -26.891 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.164 -27.223 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.492 -25.925 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.733 -24.948 -4.208 1.00 0.00 H new ATOM 582 N ARG A 37 1.195 -28.960 -6.574 1.00 0.00 N ATOM 583 CA ARG A 37 1.157 -29.424 -7.960 1.00 0.00 C ATOM 584 C ARG A 37 0.357 -30.738 -8.090 1.00 0.00 C ATOM 585 O ARG A 37 -0.543 -30.818 -8.923 1.00 0.00 O ATOM 586 CB ARG A 37 2.631 -29.531 -8.443 1.00 0.00 C ATOM 587 CG ARG A 37 2.853 -30.055 -9.882 1.00 0.00 C ATOM 588 CD ARG A 37 4.327 -29.919 -10.289 1.00 0.00 C ATOM 589 NE ARG A 37 4.611 -30.735 -11.472 1.00 0.00 N ATOM 590 CZ ARG A 37 5.639 -30.581 -12.261 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.376 -29.538 -12.333 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.961 -31.511 -13.068 1.00 0.00 N ATOM 0 H ARG A 37 2.141 -28.808 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 37 0.626 -28.723 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.087 -28.544 -8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.168 -30.185 -7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.548 -31.100 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.226 -29.498 -10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.558 -28.874 -10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.968 -30.229 -9.464 1.00 0.00 H new ATOM 0 HE ARG A 37 3.954 -31.482 -11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.179 -28.732 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.161 -29.512 -12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.416 -32.373 -13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.764 -31.394 -13.686 1.00 0.00 H new ATOM 606 N ALA A 38 0.609 -31.756 -7.259 1.00 0.00 N ATOM 607 CA ALA A 38 -0.180 -32.986 -7.238 1.00 0.00 C ATOM 608 C ALA A 38 -1.414 -33.018 -6.297 1.00 0.00 C ATOM 609 O ALA A 38 -1.974 -34.082 -6.034 1.00 0.00 O ATOM 610 CB ALA A 38 0.793 -34.148 -7.086 1.00 0.00 C ATOM 0 H ALA A 38 1.370 -31.746 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.707 -33.066 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.239 -35.086 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.487 -34.154 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.351 -34.036 -6.156 1.00 0.00 H new ATOM 616 N ALA A 39 -1.852 -31.890 -5.721 1.00 0.00 N ATOM 617 CA ALA A 39 -3.275 -31.644 -5.468 1.00 0.00 C ATOM 618 C ALA A 39 -4.039 -31.317 -6.766 1.00 0.00 C ATOM 619 O ALA A 39 -5.186 -31.733 -6.934 1.00 0.00 O ATOM 620 CB ALA A 39 -3.439 -30.508 -4.439 1.00 0.00 C ATOM 0 H ALA A 39 -1.238 -31.133 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.706 -32.559 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.499 -30.332 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.953 -30.790 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.981 -29.598 -4.826 1.00 0.00 H new ATOM 626 N ARG A 40 -3.415 -30.545 -7.673 1.00 0.00 N ATOM 627 CA ARG A 40 -3.933 -30.342 -9.036 1.00 0.00 C ATOM 628 C ARG A 40 -3.900 -31.632 -9.897 1.00 0.00 C ATOM 629 O ARG A 40 -4.848 -31.904 -10.636 1.00 0.00 O ATOM 630 CB ARG A 40 -3.141 -29.188 -9.703 1.00 0.00 C ATOM 631 CG ARG A 40 -3.378 -27.801 -9.041 1.00 0.00 C ATOM 632 CD ARG A 40 -2.124 -26.906 -9.026 1.00 0.00 C ATOM 633 NE ARG A 40 -1.652 -26.682 -10.391 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.523 -26.120 -10.724 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.356 -25.662 -9.908 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.269 -26.015 -11.969 1.00 0.00 N ATOM 0 H ARG A 40 -2.545 -30.048 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.987 -30.074 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.077 -29.421 -9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.418 -29.130 -10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.177 -27.285 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.721 -27.950 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.354 -25.952 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.339 -27.376 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.259 -26.992 -11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.198 -25.722 -8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.212 -25.238 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.937 -26.364 -12.657 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.602 -25.582 -12.277 1.00 0.00 H new ATOM 650 N ILE A 41 -2.816 -32.425 -9.871 1.00 0.00 N ATOM 651 CA ILE A 41 -2.791 -33.811 -10.363 1.00 0.00 C ATOM 652 C ILE A 41 -3.488 -34.796 -9.395 1.00 0.00 C ATOM 653 O ILE A 41 -2.947 -35.543 -8.578 1.00 0.00 O ATOM 654 CB ILE A 41 -1.386 -34.290 -10.813 1.00 0.00 C ATOM 655 CG1 ILE A 41 -0.791 -33.394 -11.917 1.00 0.00 C ATOM 656 CG2 ILE A 41 -1.402 -35.692 -11.353 1.00 0.00 C ATOM 657 CD1 ILE A 41 0.274 -32.547 -11.280 1.00 0.00 C ATOM 0 H ILE A 41 -1.918 -32.115 -9.501 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.388 -33.807 -11.275 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.777 -34.241 -9.911 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.371 -34.001 -12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.564 -32.768 -12.362 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.394 -35.978 -11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.758 -36.375 -10.582 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.066 -35.742 -12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.720 -31.897 -12.032 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.168 -31.939 -10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.044 -33.190 -10.854 1.00 0.00 H new ATOM 669 N LYS A 42 -4.786 -34.738 -9.630 1.00 0.00 N ATOM 670 CA LYS A 42 -5.825 -35.423 -8.859 1.00 0.00 C ATOM 671 C LYS A 42 -6.363 -36.724 -9.503 1.00 0.00 C ATOM 672 O LYS A 42 -7.484 -37.152 -9.196 1.00 0.00 O ATOM 673 CB LYS A 42 -6.975 -34.415 -8.569 1.00 0.00 C ATOM 674 CG LYS A 42 -7.685 -33.844 -9.831 1.00 0.00 C ATOM 675 CD LYS A 42 -9.220 -33.711 -9.672 1.00 0.00 C ATOM 676 CE LYS A 42 -10.036 -34.943 -10.118 1.00 0.00 C ATOM 677 NZ LYS A 42 -9.828 -36.082 -9.225 1.00 0.00 N ATOM 0 H LYS A 42 -5.170 -34.188 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.363 -35.761 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.720 -34.907 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.572 -33.584 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.266 -32.865 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.471 -34.491 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.444 -33.506 -8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.555 -32.846 -10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.096 -34.688 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.751 -35.220 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.637 -36.732 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.958 -36.582 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.741 -35.744 -8.245 1.00 0.00 H new ATOM 691 N ILE A 43 -5.594 -37.369 -10.391 1.00 0.00 N ATOM 692 CA ILE A 43 -6.078 -38.476 -11.231 1.00 0.00 C ATOM 693 C ILE A 43 -6.329 -39.781 -10.444 1.00 0.00 C ATOM 694 O ILE A 43 -7.371 -40.412 -10.643 1.00 0.00 O ATOM 695 CB ILE A 43 -5.111 -38.673 -12.451 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.886 -37.386 -13.308 1.00 0.00 C ATOM 697 CG2 ILE A 43 -5.490 -39.856 -13.379 1.00 0.00 C ATOM 698 CD1 ILE A 43 -6.142 -36.746 -13.953 1.00 0.00 C ATOM 0 H ILE A 43 -4.613 -37.137 -10.548 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.062 -38.202 -11.612 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.167 -38.918 -11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.410 -36.636 -12.676 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.181 -37.627 -14.104 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.772 -39.922 -14.196 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.477 -40.785 -12.808 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.488 -39.694 -13.786 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.850 -35.862 -14.520 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.614 -37.466 -14.622 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.846 -36.460 -13.172 1.00 0.00 H new ATOM 710 N GLY A 44 -5.433 -40.201 -9.537 1.00 0.00 N ATOM 711 CA GLY A 44 -5.661 -41.402 -8.716 1.00 0.00 C ATOM 712 C GLY A 44 -4.624 -41.669 -7.602 1.00 0.00 C ATOM 713 O GLY A 44 -3.538 -41.084 -7.667 1.00 0.00 O ATOM 0 H GLY A 44 -4.547 -39.729 -9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.646 -41.322 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.687 -42.269 -9.376 1.00 0.00 H new ATOM 717 N PRO A 45 -4.880 -42.538 -6.586 1.00 0.00 N ATOM 718 CA PRO A 45 -3.936 -42.882 -5.497 1.00 0.00 C ATOM 719 C PRO A 45 -2.532 -43.356 -5.930 1.00 0.00 C ATOM 720 O PRO A 45 -1.523 -42.830 -5.449 1.00 0.00 O ATOM 721 CB PRO A 45 -4.668 -43.994 -4.725 1.00 0.00 C ATOM 722 CG PRO A 45 -6.117 -43.601 -4.893 1.00 0.00 C ATOM 723 CD PRO A 45 -6.176 -43.195 -6.362 1.00 0.00 C ATOM 0 HA PRO A 45 -3.708 -41.986 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.463 -44.981 -5.141 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.373 -44.023 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.791 -44.429 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.395 -42.779 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.306 -44.060 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.008 -42.519 -6.559 1.00 0.00 H new ATOM 731 N LYS A 46 -2.458 -44.337 -6.844 1.00 0.00 N ATOM 732 CA LYS A 46 -1.192 -44.820 -7.405 1.00 0.00 C ATOM 733 C LYS A 46 -0.524 -43.760 -8.316 1.00 0.00 C ATOM 734 O LYS A 46 0.701 -43.757 -8.449 1.00 0.00 O ATOM 735 CB LYS A 46 -1.436 -46.169 -8.139 1.00 0.00 C ATOM 736 CG LYS A 46 -0.156 -47.032 -8.307 1.00 0.00 C ATOM 737 CD LYS A 46 -0.365 -48.265 -9.223 1.00 0.00 C ATOM 738 CE LYS A 46 0.691 -49.375 -9.057 1.00 0.00 C ATOM 739 NZ LYS A 46 2.009 -48.964 -9.542 1.00 0.00 N ATOM 0 H LYS A 46 -3.279 -44.817 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.486 -44.995 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.180 -46.743 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.857 -45.965 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.640 -46.412 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.178 -47.369 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.350 -48.686 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.364 -47.934 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.763 -49.651 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.368 -50.264 -9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.721 -49.661 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.994 -48.906 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.249 -48.033 -9.147 1.00 0.00 H new ATOM 753 N CYS A 47 -1.310 -42.831 -8.899 1.00 0.00 N ATOM 754 CA CYS A 47 -0.800 -41.666 -9.627 1.00 0.00 C ATOM 755 C CYS A 47 -0.052 -40.707 -8.684 1.00 0.00 C ATOM 756 O CYS A 47 1.132 -40.469 -8.930 1.00 0.00 O ATOM 757 CB CYS A 47 -1.944 -40.923 -10.370 1.00 0.00 C ATOM 758 SG CYS A 47 -1.467 -39.431 -11.285 1.00 0.00 S ATOM 0 H CYS A 47 -2.329 -42.876 -8.873 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.093 -42.028 -10.373 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.408 -41.619 -11.068 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.705 -40.649 -9.640 1.00 0.00 H new ATOM 763 N VAL A 48 -0.697 -40.149 -7.635 1.00 0.00 N ATOM 764 CA VAL A 48 -0.003 -39.394 -6.579 1.00 0.00 C ATOM 765 C VAL A 48 1.208 -40.117 -5.962 1.00 0.00 C ATOM 766 O VAL A 48 2.232 -39.485 -5.703 1.00 0.00 O ATOM 767 CB VAL A 48 -0.927 -38.902 -5.408 1.00 0.00 C ATOM 768 CG1 VAL A 48 -0.780 -37.400 -5.275 1.00 0.00 C ATOM 769 CG2 VAL A 48 -2.422 -39.167 -5.538 1.00 0.00 C ATOM 0 H VAL A 48 -1.706 -40.211 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 48 0.351 -38.526 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.586 -39.483 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.416 -37.042 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.259 -37.154 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.077 -36.921 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.938 -38.776 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.802 -38.675 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.596 -40.240 -5.613 1.00 0.00 H new ATOM 779 N LYS A 49 1.098 -41.429 -5.716 1.00 0.00 N ATOM 780 CA LYS A 49 2.226 -42.244 -5.244 1.00 0.00 C ATOM 781 C LYS A 49 3.406 -42.387 -6.245 1.00 0.00 C ATOM 782 O LYS A 49 4.559 -42.223 -5.817 1.00 0.00 O ATOM 783 CB LYS A 49 1.697 -43.621 -4.755 1.00 0.00 C ATOM 784 CG LYS A 49 1.966 -43.892 -3.244 1.00 0.00 C ATOM 785 CD LYS A 49 2.637 -45.265 -2.963 1.00 0.00 C ATOM 786 CE LYS A 49 4.179 -45.286 -3.028 1.00 0.00 C ATOM 787 NZ LYS A 49 4.617 -44.883 -4.358 1.00 0.00 N ATOM 0 H LYS A 49 0.231 -41.953 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 49 2.673 -41.702 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.624 -43.675 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.162 -44.410 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.602 -43.100 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.022 -43.842 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.329 -45.602 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.252 -45.990 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.594 -44.613 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.549 -46.285 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.637 -45.058 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.101 -45.433 -5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.425 -43.870 -4.494 1.00 0.00 H new ATOM 801 N ALA A 50 3.175 -42.710 -7.536 1.00 0.00 N ATOM 802 CA ALA A 50 4.185 -42.627 -8.610 1.00 0.00 C ATOM 803 C ALA A 50 4.774 -41.201 -8.710 1.00 0.00 C ATOM 804 O ALA A 50 5.996 -41.038 -8.715 1.00 0.00 O ATOM 805 CB ALA A 50 3.516 -43.073 -9.937 1.00 0.00 C ATOM 0 H ALA A 50 2.268 -43.040 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 50 5.023 -43.288 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.244 -43.020 -10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.158 -44.098 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.676 -42.415 -10.160 1.00 0.00 H new ATOM 811 N PHE A 51 3.898 -40.179 -8.693 1.00 0.00 N ATOM 812 CA PHE A 51 4.265 -38.758 -8.669 1.00 0.00 C ATOM 813 C PHE A 51 5.210 -38.413 -7.502 1.00 0.00 C ATOM 814 O PHE A 51 6.256 -37.806 -7.730 1.00 0.00 O ATOM 815 CB PHE A 51 2.945 -37.941 -8.527 1.00 0.00 C ATOM 816 CG PHE A 51 3.057 -36.482 -8.977 1.00 0.00 C ATOM 817 CD1 PHE A 51 3.845 -35.549 -8.319 1.00 0.00 C ATOM 818 CD2 PHE A 51 2.470 -36.094 -10.164 1.00 0.00 C ATOM 819 CE1 PHE A 51 4.071 -34.296 -8.850 1.00 0.00 C ATOM 820 CE2 PHE A 51 2.690 -34.859 -10.700 1.00 0.00 C ATOM 821 CZ PHE A 51 3.500 -33.953 -10.053 1.00 0.00 C ATOM 0 H PHE A 51 2.889 -40.327 -8.696 1.00 0.00 H new ATOM 0 HA PHE A 51 4.799 -38.515 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.164 -38.430 -9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.627 -37.964 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.291 -35.809 -7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.821 -36.785 -10.681 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.693 -33.588 -8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.226 -34.590 -11.638 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.685 -32.981 -10.487 1.00 0.00 H new ATOM 831 N LYS A 52 4.843 -38.781 -6.263 1.00 0.00 N ATOM 832 CA LYS A 52 5.657 -38.537 -5.073 1.00 0.00 C ATOM 833 C LYS A 52 7.032 -39.242 -5.118 1.00 0.00 C ATOM 834 O LYS A 52 8.036 -38.625 -4.747 1.00 0.00 O ATOM 835 CB LYS A 52 4.831 -38.943 -3.818 1.00 0.00 C ATOM 836 CG LYS A 52 5.476 -38.697 -2.431 1.00 0.00 C ATOM 837 CD LYS A 52 5.784 -37.215 -2.135 1.00 0.00 C ATOM 838 CE LYS A 52 6.342 -37.048 -0.728 1.00 0.00 C ATOM 839 NZ LYS A 52 6.783 -35.668 -0.587 1.00 0.00 N ATOM 0 H LYS A 52 3.965 -39.260 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 52 5.895 -37.474 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.884 -38.405 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.597 -40.005 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.809 -39.080 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.401 -39.270 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.501 -36.836 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.876 -36.622 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.581 -37.284 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.173 -37.734 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.432 -35.592 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.274 -35.370 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.958 -35.055 -0.428 1.00 0.00 H new ATOM 853 N ASP A 53 7.114 -40.504 -5.585 1.00 0.00 N ATOM 854 CA ASP A 53 8.412 -41.158 -5.810 1.00 0.00 C ATOM 855 C ASP A 53 9.306 -40.449 -6.853 1.00 0.00 C ATOM 856 O ASP A 53 10.502 -40.228 -6.619 1.00 0.00 O ATOM 857 CB ASP A 53 8.204 -42.650 -6.174 1.00 0.00 C ATOM 858 CG ASP A 53 7.794 -43.498 -4.973 1.00 0.00 C ATOM 859 OD1 ASP A 53 8.252 -43.274 -3.848 1.00 0.00 O ATOM 860 OD2 ASP A 53 7.041 -44.453 -5.154 1.00 0.00 O ATOM 0 H ASP A 53 6.305 -41.083 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 53 8.957 -41.084 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.439 -42.728 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.126 -43.048 -6.597 1.00 0.00 H new ATOM 865 N CYS A 54 8.752 -40.097 -8.016 1.00 0.00 N ATOM 866 CA CYS A 54 9.463 -39.255 -8.978 1.00 0.00 C ATOM 867 C CYS A 54 9.738 -37.796 -8.527 1.00 0.00 C ATOM 868 O CYS A 54 10.740 -37.227 -8.968 1.00 0.00 O ATOM 869 CB CYS A 54 8.788 -39.352 -10.342 1.00 0.00 C ATOM 870 SG CYS A 54 9.216 -40.805 -11.353 1.00 0.00 S ATOM 0 H CYS A 54 7.818 -40.381 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 54 10.473 -39.660 -9.050 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.709 -39.347 -10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.035 -38.455 -10.910 1.00 0.00 H new ATOM 875 N CYS A 55 8.915 -37.155 -7.676 1.00 0.00 N ATOM 876 CA CYS A 55 9.298 -35.936 -6.937 1.00 0.00 C ATOM 877 C CYS A 55 10.552 -36.159 -6.062 1.00 0.00 C ATOM 878 O CYS A 55 11.446 -35.300 -6.029 1.00 0.00 O ATOM 879 CB CYS A 55 8.102 -35.434 -6.076 1.00 0.00 C ATOM 880 SG CYS A 55 8.453 -34.036 -4.969 1.00 0.00 S ATOM 0 H CYS A 55 7.964 -37.468 -7.481 1.00 0.00 H new ATOM 0 HA CYS A 55 9.554 -35.170 -7.669 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.292 -35.147 -6.746 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.738 -36.267 -5.474 1.00 0.00 H new ATOM 885 N TYR A 56 10.630 -37.302 -5.358 1.00 0.00 N ATOM 886 CA TYR A 56 11.863 -37.721 -4.691 1.00 0.00 C ATOM 887 C TYR A 56 13.053 -37.873 -5.654 1.00 0.00 C ATOM 888 O TYR A 56 14.122 -37.394 -5.261 1.00 0.00 O ATOM 889 CB TYR A 56 11.680 -39.022 -3.861 1.00 0.00 C ATOM 890 CG TYR A 56 11.020 -38.805 -2.489 1.00 0.00 C ATOM 891 CD1 TYR A 56 11.525 -37.906 -1.561 1.00 0.00 C ATOM 892 CD2 TYR A 56 9.937 -39.573 -2.094 1.00 0.00 C ATOM 893 CE1 TYR A 56 10.978 -37.783 -0.300 1.00 0.00 C ATOM 894 CE2 TYR A 56 9.387 -39.460 -0.833 1.00 0.00 C ATOM 895 CZ TYR A 56 9.911 -38.561 0.063 1.00 0.00 C ATOM 896 OH TYR A 56 9.383 -38.428 1.306 1.00 0.00 O ATOM 0 H TYR A 56 9.850 -37.949 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 56 12.097 -36.907 -4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.076 -39.725 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.655 -39.486 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.367 -37.287 -1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.511 -40.279 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 56 11.392 -37.073 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.547 -40.077 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 56 8.631 -39.048 1.410 1.00 0.00 H new ATOM 906 N ILE A 57 12.993 -38.503 -6.850 1.00 0.00 N ATOM 907 CA ILE A 57 14.145 -38.418 -7.770 1.00 0.00 C ATOM 908 C ILE A 57 14.376 -37.044 -8.426 1.00 0.00 C ATOM 909 O ILE A 57 15.529 -36.776 -8.760 1.00 0.00 O ATOM 910 CB ILE A 57 14.454 -39.620 -8.722 1.00 0.00 C ATOM 911 CG1 ILE A 57 13.342 -40.115 -9.657 1.00 0.00 C ATOM 912 CG2 ILE A 57 15.047 -40.808 -7.931 1.00 0.00 C ATOM 913 CD1 ILE A 57 12.885 -39.105 -10.714 1.00 0.00 C ATOM 0 H ILE A 57 12.200 -39.049 -7.187 1.00 0.00 H new ATOM 0 HA ILE A 57 14.930 -38.538 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 57 15.179 -39.185 -9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.689 -41.016 -10.163 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.481 -40.400 -9.053 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.254 -41.632 -8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.973 -40.497 -7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.333 -41.134 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.098 -39.548 -11.324 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.502 -38.211 -10.222 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.729 -38.836 -11.349 1.00 0.00 H new ATOM 925 N ALA A 58 13.374 -36.168 -8.628 1.00 0.00 N ATOM 926 CA ALA A 58 13.604 -34.761 -8.993 1.00 0.00 C ATOM 927 C ALA A 58 14.515 -34.035 -7.974 1.00 0.00 C ATOM 928 O ALA A 58 15.531 -33.435 -8.346 1.00 0.00 O ATOM 929 CB ALA A 58 12.248 -34.042 -9.135 1.00 0.00 C ATOM 0 H ALA A 58 12.388 -36.415 -8.543 1.00 0.00 H new ATOM 0 HA ALA A 58 14.129 -34.737 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.416 -32.999 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.658 -34.528 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.710 -34.089 -8.188 1.00 0.00 H new ATOM 935 N ASN A 59 14.174 -34.146 -6.678 1.00 0.00 N ATOM 936 CA ASN A 59 15.011 -33.631 -5.588 1.00 0.00 C ATOM 937 C ASN A 59 16.360 -34.370 -5.433 1.00 0.00 C ATOM 938 O ASN A 59 17.366 -33.719 -5.142 1.00 0.00 O ATOM 939 CB ASN A 59 14.224 -33.628 -4.254 1.00 0.00 C ATOM 940 CG ASN A 59 13.002 -32.712 -4.345 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.097 -31.493 -4.460 1.00 0.00 O ATOM 942 ND2 ASN A 59 11.802 -33.256 -4.317 1.00 0.00 N ATOM 0 H ASN A 59 13.314 -34.594 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 59 15.266 -32.607 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.906 -34.642 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.874 -33.296 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.973 -32.666 -4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.702 -34.267 -4.222 1.00 0.00 H new ATOM 949 N GLN A 60 16.421 -35.703 -5.605 1.00 0.00 N ATOM 950 CA GLN A 60 17.693 -36.435 -5.659 1.00 0.00 C ATOM 951 C GLN A 60 18.547 -36.129 -6.902 1.00 0.00 C ATOM 952 O GLN A 60 19.745 -35.939 -6.703 1.00 0.00 O ATOM 953 CB GLN A 60 17.479 -37.956 -5.516 1.00 0.00 C ATOM 954 CG GLN A 60 17.180 -38.416 -4.068 1.00 0.00 C ATOM 955 CD GLN A 60 16.542 -39.805 -4.069 1.00 0.00 C ATOM 956 OE1 GLN A 60 17.187 -40.847 -4.018 1.00 0.00 O ATOM 957 NE2 GLN A 60 15.230 -39.862 -4.134 1.00 0.00 N ATOM 0 H GLN A 60 15.597 -36.295 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 60 18.261 -36.071 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.654 -38.259 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.369 -38.473 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.103 -38.433 -3.488 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.513 -37.703 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.684 -39.002 -4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.759 -40.766 -4.142 1.00 0.00 H new ATOM 966 N VAL A 61 18.051 -36.052 -8.153 1.00 0.00 N ATOM 967 CA VAL A 61 18.884 -35.689 -9.316 1.00 0.00 C ATOM 968 C VAL A 61 19.393 -34.230 -9.255 1.00 0.00 C ATOM 969 O VAL A 61 20.439 -33.911 -9.829 1.00 0.00 O ATOM 970 CB VAL A 61 18.174 -36.034 -10.670 1.00 0.00 C ATOM 971 CG1 VAL A 61 17.125 -35.011 -11.154 1.00 0.00 C ATOM 972 CG2 VAL A 61 19.185 -36.306 -11.802 1.00 0.00 C ATOM 0 H VAL A 61 17.075 -36.237 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 61 19.779 -36.310 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 61 17.622 -36.944 -10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.697 -35.348 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.335 -34.920 -10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.602 -34.041 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.648 -36.541 -12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.803 -35.422 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.820 -37.148 -11.528 1.00 0.00 H new ATOM 982 N ARG A 62 18.676 -33.330 -8.555 1.00 0.00 N ATOM 983 CA ARG A 62 19.204 -32.015 -8.177 1.00 0.00 C ATOM 984 C ARG A 62 20.442 -32.097 -7.244 1.00 0.00 C ATOM 985 O ARG A 62 21.330 -31.246 -7.322 1.00 0.00 O ATOM 986 CB ARG A 62 18.053 -31.193 -7.537 1.00 0.00 C ATOM 987 CG ARG A 62 18.339 -29.678 -7.565 1.00 0.00 C ATOM 988 CD ARG A 62 17.181 -28.825 -7.044 1.00 0.00 C ATOM 989 NE ARG A 62 17.522 -27.450 -7.395 1.00 0.00 N ATOM 990 CZ ARG A 62 16.700 -26.443 -7.429 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.524 -26.426 -6.929 1.00 0.00 N ATOM 992 NH2 ARG A 62 17.109 -25.366 -7.970 1.00 0.00 N ATOM 0 H ARG A 62 17.721 -33.497 -8.240 1.00 0.00 H new ATOM 0 HA ARG A 62 19.566 -31.515 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.123 -31.396 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.907 -31.515 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.227 -29.474 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.568 -29.379 -8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.237 -29.124 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.064 -28.938 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 62 18.495 -27.262 -7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.160 -27.252 -6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.950 -25.587 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.051 -25.316 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.494 -24.553 -8.017 1.00 0.00 H new ATOM 1006 N ALA A 63 20.534 -33.116 -6.375 1.00 0.00 N ATOM 1007 CA ALA A 63 21.693 -33.348 -5.508 1.00 0.00 C ATOM 1008 C ALA A 63 22.724 -34.351 -6.079 1.00 0.00 C ATOM 1009 O ALA A 63 23.923 -34.066 -6.049 1.00 0.00 O ATOM 1010 CB ALA A 63 21.169 -33.816 -4.135 1.00 0.00 C ATOM 0 H ALA A 63 19.795 -33.809 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 63 22.242 -32.410 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.011 -33.997 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.527 -33.045 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.599 -34.737 -4.258 1.00 0.00 H new ATOM 1016 N GLU A 64 22.315 -35.515 -6.616 1.00 0.00 N ATOM 1017 CA GLU A 64 23.216 -36.557 -7.139 1.00 0.00 C ATOM 1018 C GLU A 64 23.865 -36.187 -8.501 1.00 0.00 C ATOM 1019 O GLU A 64 23.709 -36.869 -9.518 1.00 0.00 O ATOM 1020 CB GLU A 64 22.439 -37.910 -7.241 1.00 0.00 C ATOM 1021 CG GLU A 64 21.924 -38.502 -5.888 1.00 0.00 C ATOM 1022 CD GLU A 64 21.025 -39.733 -6.073 1.00 0.00 C ATOM 1023 OE1 GLU A 64 20.056 -39.675 -6.828 1.00 0.00 O ATOM 1024 OE2 GLU A 64 21.269 -40.747 -5.419 1.00 0.00 O ATOM 0 H GLU A 64 21.329 -35.762 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 64 24.043 -36.653 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.584 -37.768 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.089 -38.646 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.779 -38.773 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.371 -37.733 -5.349 1.00 0.00 H new ATOM 1031 N GLN A 65 24.628 -35.090 -8.527 1.00 0.00 N ATOM 1032 CA GLN A 65 25.324 -34.622 -9.731 1.00 0.00 C ATOM 1033 C GLN A 65 26.729 -34.028 -9.470 1.00 0.00 C ATOM 1034 O GLN A 65 26.954 -33.396 -8.435 1.00 0.00 O ATOM 1035 CB GLN A 65 24.411 -33.639 -10.535 1.00 0.00 C ATOM 1036 CG GLN A 65 23.910 -32.385 -9.759 1.00 0.00 C ATOM 1037 CD GLN A 65 23.035 -31.502 -10.650 1.00 0.00 C ATOM 1038 OE1 GLN A 65 23.473 -30.486 -11.171 1.00 0.00 O ATOM 1039 NE2 GLN A 65 21.777 -31.827 -10.879 1.00 0.00 N ATOM 0 H GLN A 65 24.781 -34.499 -7.710 1.00 0.00 H new ATOM 0 HA GLN A 65 25.516 -35.507 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 65 24.959 -33.302 -11.415 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.542 -34.192 -10.893 1.00 0.00 H new ATOM 0 HG2 GLN A 65 23.343 -32.698 -8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.764 -31.811 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 65 21.383 -32.669 -10.458 1.00 0.00 H new ATOM 0 HE22 GLN A 65 21.198 -31.237 -11.477 1.00 0.00 H new ATOM 1048 N SER A 66 27.600 -34.224 -10.317 1.00 0.00 N TER 1049 SER A 66