USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 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+ -114:sc= 0.881 (180deg=-0.428) USER MOD Single : A 2 SER OG : rot 180:sc= -0.858! USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -133:sc= 1.23 USER MOD Single : A 50 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.21) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 67:sc= -1.14! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= -2.55! (180deg=-4.95!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.71 K(o=-0.71,f=-3.3!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -36.380 8.519 7.452 1.00 0.00 N ATOM 2 CA MET A 1 -35.366 9.272 6.660 1.00 0.00 C ATOM 3 C MET A 1 -35.193 10.674 7.251 1.00 0.00 C ATOM 4 O MET A 1 -35.964 11.573 6.976 1.00 0.00 O ATOM 5 CB MET A 1 -35.833 9.387 5.208 1.00 0.00 C ATOM 6 CG MET A 1 -36.132 7.993 4.654 1.00 0.00 C ATOM 7 SD MET A 1 -37.909 7.670 4.759 1.00 0.00 S ATOM 8 CE MET A 1 -38.335 8.193 3.080 1.00 0.00 C ATOM 0 H1 MET A 1 -35.920 7.721 7.936 1.00 0.00 H new ATOM 0 H2 MET A 1 -36.809 9.151 8.158 1.00 0.00 H new ATOM 0 H3 MET A 1 -37.120 8.158 6.816 1.00 0.00 H new ATOM 0 HA MET A 1 -34.414 8.742 6.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 -36.725 10.011 5.150 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.065 9.872 4.606 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.799 7.923 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 1 -35.581 7.240 5.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 -39.407 8.076 2.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -38.061 9.239 2.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 -37.794 7.580 2.360 1.00 0.00 H new ATOM 20 N SER A 2 -34.188 10.869 8.060 1.00 0.00 N ATOM 21 CA SER A 2 -33.969 12.213 8.665 1.00 0.00 C ATOM 22 C SER A 2 -32.579 12.264 9.306 1.00 0.00 C ATOM 23 O SER A 2 -32.152 11.333 9.959 1.00 0.00 O ATOM 24 CB SER A 2 -35.033 12.471 9.733 1.00 0.00 C ATOM 25 OG SER A 2 -36.017 11.446 9.671 1.00 0.00 O ATOM 0 H SER A 2 -33.509 10.156 8.328 1.00 0.00 H new ATOM 0 HA SER A 2 -34.040 12.976 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.575 12.492 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.495 13.445 9.575 1.00 0.00 H new ATOM 0 HG SER A 2 -36.700 11.607 10.355 1.00 0.00 H new ATOM 31 N ARG A 3 -31.871 13.346 9.124 1.00 0.00 N ATOM 32 CA ARG A 3 -30.511 13.456 9.724 1.00 0.00 C ATOM 33 C ARG A 3 -29.522 12.611 8.917 1.00 0.00 C ATOM 34 O ARG A 3 -29.900 11.685 8.228 1.00 0.00 O ATOM 35 CB ARG A 3 -30.547 12.951 11.169 1.00 0.00 C ATOM 36 CG ARG A 3 -29.885 13.980 12.089 1.00 0.00 C ATOM 37 CD ARG A 3 -29.232 13.261 13.270 1.00 0.00 C ATOM 38 NE ARG A 3 -28.364 14.216 14.015 1.00 0.00 N ATOM 39 CZ ARG A 3 -28.621 14.493 15.264 1.00 0.00 C ATOM 40 NH1 ARG A 3 -29.857 14.597 15.667 1.00 0.00 N ATOM 41 NH2 ARG A 3 -27.641 14.664 16.108 1.00 0.00 N ATOM 0 H ARG A 3 -32.175 14.158 8.586 1.00 0.00 H new ATOM 0 HA ARG A 3 -30.195 14.499 9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -31.578 12.780 11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -30.029 11.995 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -29.137 14.549 11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -30.627 14.693 12.448 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -29.998 12.857 13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -28.641 12.417 12.914 1.00 0.00 H new ATOM 0 HE ARG A 3 -27.569 14.653 13.549 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -30.622 14.462 15.006 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -30.059 14.813 16.643 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -26.675 14.581 15.791 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -27.841 14.881 17.084 1.00 0.00 H new ATOM 55 N SER A 4 -28.257 12.922 8.999 1.00 0.00 N ATOM 56 CA SER A 4 -27.245 12.136 8.238 1.00 0.00 C ATOM 57 C SER A 4 -27.741 11.914 6.807 1.00 0.00 C ATOM 58 O SER A 4 -28.384 10.922 6.523 1.00 0.00 O ATOM 59 CB SER A 4 -27.034 10.782 8.918 1.00 0.00 C ATOM 60 OG SER A 4 -26.275 10.966 10.105 1.00 0.00 O ATOM 0 H SER A 4 -27.881 13.686 9.560 1.00 0.00 H new ATOM 0 HA SER A 4 -26.303 12.684 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 4 -27.996 10.327 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 4 -26.516 10.100 8.244 1.00 0.00 H new ATOM 0 HG SER A 4 -26.139 10.100 10.544 1.00 0.00 H new ATOM 66 N PRO A 5 -27.427 12.848 5.947 1.00 0.00 N ATOM 67 CA PRO A 5 -27.828 12.788 4.531 1.00 0.00 C ATOM 68 C PRO A 5 -26.923 11.821 3.759 1.00 0.00 C ATOM 69 O PRO A 5 -26.193 11.043 4.339 1.00 0.00 O ATOM 70 CB PRO A 5 -27.640 14.226 4.043 1.00 0.00 C ATOM 71 CG PRO A 5 -26.631 14.889 5.014 1.00 0.00 C ATOM 72 CD PRO A 5 -26.647 14.050 6.305 1.00 0.00 C ATOM 0 HA PRO A 5 -28.846 12.427 4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -27.263 14.243 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -28.589 14.763 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.632 14.911 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.912 15.922 5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -25.638 13.789 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -27.110 14.595 7.128 1.00 0.00 H new ATOM 80 N ASP A 6 -26.972 11.861 2.455 1.00 0.00 N ATOM 81 CA ASP A 6 -26.119 10.942 1.649 1.00 0.00 C ATOM 82 C ASP A 6 -25.035 11.748 0.930 1.00 0.00 C ATOM 83 O ASP A 6 -25.279 12.827 0.428 1.00 0.00 O ATOM 84 CB ASP A 6 -26.989 10.219 0.619 1.00 0.00 C ATOM 85 CG ASP A 6 -27.824 9.145 1.320 1.00 0.00 C ATOM 86 OD1 ASP A 6 -28.814 9.502 1.937 1.00 0.00 O ATOM 87 OD2 ASP A 6 -27.458 7.985 1.228 1.00 0.00 O ATOM 0 H ASP A 6 -27.565 12.490 1.914 1.00 0.00 H new ATOM 0 HA ASP A 6 -25.647 10.211 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -27.642 10.931 0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -26.362 9.764 -0.148 1.00 0.00 H new ATOM 92 N ALA A 7 -23.837 11.232 0.876 1.00 0.00 N ATOM 93 CA ALA A 7 -22.738 11.969 0.191 1.00 0.00 C ATOM 94 C ALA A 7 -22.111 11.074 -0.881 1.00 0.00 C ATOM 95 O ALA A 7 -22.113 9.864 -0.770 1.00 0.00 O ATOM 96 CB ALA A 7 -21.673 12.361 1.217 1.00 0.00 C ATOM 0 H ALA A 7 -23.572 10.332 1.277 1.00 0.00 H new ATOM 0 HA ALA A 7 -23.140 12.867 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -20.868 12.900 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -22.120 13.000 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -21.272 11.463 1.686 1.00 0.00 H new ATOM 102 N LYS A 8 -21.578 11.658 -1.920 1.00 0.00 N ATOM 103 CA LYS A 8 -20.953 10.839 -2.999 1.00 0.00 C ATOM 104 C LYS A 8 -19.765 10.059 -2.428 1.00 0.00 C ATOM 105 O LYS A 8 -18.713 10.610 -2.174 1.00 0.00 O ATOM 106 CB LYS A 8 -20.468 11.754 -4.126 1.00 0.00 C ATOM 107 CG LYS A 8 -20.211 10.922 -5.384 1.00 0.00 C ATOM 108 CD LYS A 8 -19.842 11.847 -6.546 1.00 0.00 C ATOM 109 CE LYS A 8 -18.330 12.081 -6.554 1.00 0.00 C ATOM 110 NZ LYS A 8 -17.781 11.740 -7.896 1.00 0.00 N ATOM 0 H LYS A 8 -21.548 12.667 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 8 -21.691 10.140 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.213 12.522 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.555 12.268 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.406 10.210 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.099 10.342 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.157 11.404 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.367 12.797 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.111 13.121 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.853 11.470 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.753 11.899 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.978 10.741 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.228 12.341 -8.617 1.00 0.00 H new ATOM 124 N GLU A 9 -19.926 8.781 -2.230 1.00 0.00 N ATOM 125 CA GLU A 9 -18.811 7.960 -1.681 1.00 0.00 C ATOM 126 C GLU A 9 -18.999 6.506 -2.118 1.00 0.00 C ATOM 127 O GLU A 9 -20.024 5.902 -1.868 1.00 0.00 O ATOM 128 CB GLU A 9 -18.820 8.043 -0.153 1.00 0.00 C ATOM 129 CG GLU A 9 -20.256 7.902 0.357 1.00 0.00 C ATOM 130 CD GLU A 9 -20.256 7.128 1.676 1.00 0.00 C ATOM 131 OE1 GLU A 9 -19.229 7.119 2.335 1.00 0.00 O ATOM 132 OE2 GLU A 9 -21.282 6.555 2.004 1.00 0.00 O ATOM 0 H GLU A 9 -20.785 8.267 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.858 8.335 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.194 7.256 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.399 8.994 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -20.700 8.887 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.866 7.382 -0.382 1.00 0.00 H new ATOM 139 N ASP A 10 -18.025 5.939 -2.776 1.00 0.00 N ATOM 140 CA ASP A 10 -18.162 4.529 -3.232 1.00 0.00 C ATOM 141 C ASP A 10 -17.489 3.587 -2.227 1.00 0.00 C ATOM 142 O ASP A 10 -16.501 3.940 -1.613 1.00 0.00 O ATOM 143 CB ASP A 10 -17.506 4.371 -4.604 1.00 0.00 C ATOM 144 CG ASP A 10 -18.587 4.124 -5.659 1.00 0.00 C ATOM 145 OD1 ASP A 10 -19.198 5.089 -6.089 1.00 0.00 O ATOM 146 OD2 ASP A 10 -18.787 2.975 -6.016 1.00 0.00 O ATOM 0 H ASP A 10 -17.143 6.391 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.220 4.276 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.937 5.267 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.801 3.540 -4.589 1.00 0.00 H new ATOM 151 N PRO A 11 -18.052 2.412 -2.091 1.00 0.00 N ATOM 152 CA PRO A 11 -17.543 1.383 -1.167 1.00 0.00 C ATOM 153 C PRO A 11 -16.350 0.643 -1.786 1.00 0.00 C ATOM 154 O PRO A 11 -16.488 -0.059 -2.768 1.00 0.00 O ATOM 155 CB PRO A 11 -18.734 0.434 -1.001 1.00 0.00 C ATOM 156 CG PRO A 11 -19.631 0.635 -2.248 1.00 0.00 C ATOM 157 CD PRO A 11 -19.257 2.004 -2.845 1.00 0.00 C ATOM 0 HA PRO A 11 -17.189 1.796 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -18.399 -0.600 -0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -19.284 0.657 -0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.469 -0.161 -2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.686 0.607 -1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -19.052 1.930 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -20.065 2.725 -2.724 1.00 0.00 H new ATOM 165 N VAL A 12 -15.183 0.788 -1.216 1.00 0.00 N ATOM 166 CA VAL A 12 -13.991 0.083 -1.774 1.00 0.00 C ATOM 167 C VAL A 12 -13.857 -1.288 -1.107 1.00 0.00 C ATOM 168 O VAL A 12 -14.412 -1.532 -0.055 1.00 0.00 O ATOM 169 CB VAL A 12 -12.731 0.907 -1.500 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.681 0.603 -2.571 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.074 2.398 -1.535 1.00 0.00 C ATOM 0 H VAL A 12 -15.004 1.361 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.114 -0.042 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.337 0.648 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.783 1.189 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.434 -0.458 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.078 0.861 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.175 2.983 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.469 2.657 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.822 2.617 -0.773 1.00 0.00 H new ATOM 181 N GLU A 13 -13.123 -2.187 -1.707 1.00 0.00 N ATOM 182 CA GLU A 13 -12.961 -3.537 -1.096 1.00 0.00 C ATOM 183 C GLU A 13 -11.654 -4.171 -1.578 1.00 0.00 C ATOM 184 O GLU A 13 -11.362 -4.202 -2.758 1.00 0.00 O ATOM 185 CB GLU A 13 -14.143 -4.430 -1.490 1.00 0.00 C ATOM 186 CG GLU A 13 -14.508 -4.194 -2.957 1.00 0.00 C ATOM 187 CD GLU A 13 -15.989 -3.829 -3.059 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.323 -2.697 -2.748 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.766 -4.687 -3.444 1.00 0.00 O ATOM 0 H GLU A 13 -12.631 -2.046 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.932 -3.436 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.886 -5.478 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.001 -4.214 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.895 -3.393 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.302 -5.089 -3.543 1.00 0.00 H new ATOM 196 N CYS A 14 -10.868 -4.680 -0.668 1.00 0.00 N ATOM 197 CA CYS A 14 -9.577 -5.315 -1.057 1.00 0.00 C ATOM 198 C CYS A 14 -9.840 -6.440 -2.066 1.00 0.00 C ATOM 199 O CYS A 14 -10.434 -7.439 -1.723 1.00 0.00 O ATOM 200 CB CYS A 14 -8.910 -5.907 0.188 1.00 0.00 C ATOM 201 SG CYS A 14 -7.267 -6.534 -0.247 1.00 0.00 S ATOM 0 H CYS A 14 -11.066 -4.683 0.333 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.926 -4.565 -1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.827 -5.147 0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.523 -6.712 0.594 1.00 0.00 H new ATOM 206 N PRO A 15 -9.385 -6.247 -3.280 1.00 0.00 N ATOM 207 CA PRO A 15 -9.553 -7.242 -4.353 1.00 0.00 C ATOM 208 C PRO A 15 -8.481 -8.333 -4.237 1.00 0.00 C ATOM 209 O PRO A 15 -8.576 -9.377 -4.850 1.00 0.00 O ATOM 210 CB PRO A 15 -9.346 -6.425 -5.630 1.00 0.00 C ATOM 211 CG PRO A 15 -8.516 -5.182 -5.225 1.00 0.00 C ATOM 212 CD PRO A 15 -8.676 -5.022 -3.701 1.00 0.00 C ATOM 0 HA PRO A 15 -10.518 -7.749 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.823 -7.011 -6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.302 -6.130 -6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.467 -5.312 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.870 -4.293 -5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.709 -4.932 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.246 -4.127 -3.452 1.00 0.00 H new ATOM 220 N LEU A 16 -7.454 -8.088 -3.468 1.00 0.00 N ATOM 221 CA LEU A 16 -6.365 -9.098 -3.326 1.00 0.00 C ATOM 222 C LEU A 16 -6.834 -10.267 -2.450 1.00 0.00 C ATOM 223 O LEU A 16 -6.408 -11.390 -2.628 1.00 0.00 O ATOM 224 CB LEU A 16 -5.143 -8.435 -2.686 1.00 0.00 C ATOM 225 CG LEU A 16 -4.749 -7.200 -3.500 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.688 -5.978 -2.582 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.375 -7.420 -4.138 1.00 0.00 C ATOM 0 H LEU A 16 -7.322 -7.231 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.103 -9.482 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.367 -8.150 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.312 -9.139 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.491 -7.034 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.407 -5.100 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.665 -5.815 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.948 -6.147 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.097 -6.539 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.634 -7.589 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.414 -8.289 -4.795 1.00 0.00 H new ATOM 239 N CYS A 17 -7.704 -10.018 -1.509 1.00 0.00 N ATOM 240 CA CYS A 17 -8.186 -11.130 -0.634 1.00 0.00 C ATOM 241 C CYS A 17 -9.715 -11.118 -0.583 1.00 0.00 C ATOM 242 O CYS A 17 -10.337 -12.020 -0.057 1.00 0.00 O ATOM 243 CB CYS A 17 -7.626 -10.951 0.782 1.00 0.00 C ATOM 244 SG CYS A 17 -8.451 -9.558 1.596 1.00 0.00 S ATOM 0 H CYS A 17 -8.101 -9.100 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.844 -12.082 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.776 -11.863 1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.551 -10.774 0.738 1.00 0.00 H new ATOM 249 N MET A 18 -10.322 -10.103 -1.128 1.00 0.00 N ATOM 250 CA MET A 18 -11.804 -10.021 -1.119 1.00 0.00 C ATOM 251 C MET A 18 -12.292 -9.599 0.270 1.00 0.00 C ATOM 252 O MET A 18 -12.499 -10.420 1.141 1.00 0.00 O ATOM 253 CB MET A 18 -12.397 -11.386 -1.475 1.00 0.00 C ATOM 254 CG MET A 18 -13.508 -11.209 -2.513 1.00 0.00 C ATOM 255 SD MET A 18 -12.918 -11.770 -4.129 1.00 0.00 S ATOM 256 CE MET A 18 -13.802 -10.549 -5.130 1.00 0.00 C ATOM 0 H MET A 18 -9.850 -9.321 -1.582 1.00 0.00 H new ATOM 0 HA MET A 18 -12.125 -9.283 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.619 -12.040 -1.868 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.794 -11.865 -0.580 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.390 -11.778 -2.218 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.807 -10.162 -2.566 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.579 -10.712 -6.184 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.875 -10.652 -4.966 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.486 -9.546 -4.843 1.00 0.00 H new ATOM 266 N GLU A 19 -12.483 -8.325 0.481 1.00 0.00 N ATOM 267 CA GLU A 19 -12.965 -7.851 1.809 1.00 0.00 C ATOM 268 C GLU A 19 -13.377 -6.380 1.705 1.00 0.00 C ATOM 269 O GLU A 19 -12.873 -5.656 0.870 1.00 0.00 O ATOM 270 CB GLU A 19 -11.852 -7.998 2.848 1.00 0.00 C ATOM 271 CG GLU A 19 -12.285 -9.001 3.920 1.00 0.00 C ATOM 272 CD GLU A 19 -11.262 -10.136 3.999 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.087 -9.838 4.131 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.672 -11.282 3.926 1.00 0.00 O ATOM 0 H GLU A 19 -12.326 -7.591 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.822 -8.450 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.934 -8.336 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.636 -7.032 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.368 -8.504 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.271 -9.401 3.682 1.00 0.00 H new ATOM 281 N PRO A 20 -14.287 -5.987 2.557 1.00 0.00 N ATOM 282 CA PRO A 20 -14.802 -4.606 2.592 1.00 0.00 C ATOM 283 C PRO A 20 -13.815 -3.672 3.297 1.00 0.00 C ATOM 284 O PRO A 20 -13.356 -3.944 4.389 1.00 0.00 O ATOM 285 CB PRO A 20 -16.101 -4.730 3.393 1.00 0.00 C ATOM 286 CG PRO A 20 -15.972 -6.019 4.241 1.00 0.00 C ATOM 287 CD PRO A 20 -14.892 -6.883 3.565 1.00 0.00 C ATOM 0 HA PRO A 20 -14.953 -4.184 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.248 -3.859 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.963 -4.787 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.692 -5.781 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.922 -6.551 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.151 -7.229 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.324 -7.770 3.101 1.00 0.00 H new ATOM 295 N LEU A 21 -13.492 -2.565 2.682 1.00 0.00 N ATOM 296 CA LEU A 21 -12.545 -1.606 3.316 1.00 0.00 C ATOM 297 C LEU A 21 -13.287 -0.804 4.387 1.00 0.00 C ATOM 298 O LEU A 21 -14.394 -1.136 4.763 1.00 0.00 O ATOM 299 CB LEU A 21 -12.000 -0.649 2.251 1.00 0.00 C ATOM 300 CG LEU A 21 -10.748 -1.253 1.614 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.383 -0.462 0.356 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.590 -1.187 2.610 1.00 0.00 C ATOM 0 H LEU A 21 -13.844 -2.285 1.767 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.718 -2.152 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.757 -0.468 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.763 0.315 2.701 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.941 -2.292 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.491 -0.892 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.209 -0.506 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.189 0.577 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.696 -1.617 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.398 -0.148 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.849 -1.749 3.507 1.00 0.00 H new ATOM 314 N GLU A 22 -12.694 0.248 4.881 1.00 0.00 N ATOM 315 CA GLU A 22 -13.380 1.062 5.923 1.00 0.00 C ATOM 316 C GLU A 22 -12.837 2.493 5.904 1.00 0.00 C ATOM 317 O GLU A 22 -12.048 2.859 5.056 1.00 0.00 O ATOM 318 CB GLU A 22 -13.140 0.439 7.299 1.00 0.00 C ATOM 319 CG GLU A 22 -14.461 -0.108 7.844 1.00 0.00 C ATOM 320 CD GLU A 22 -14.997 0.828 8.928 1.00 0.00 C ATOM 321 OE1 GLU A 22 -15.709 1.757 8.580 1.00 0.00 O ATOM 322 OE2 GLU A 22 -14.687 0.603 10.085 1.00 0.00 O ATOM 0 H GLU A 22 -11.768 0.578 4.609 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.450 1.083 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.404 -0.362 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.732 1.184 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.188 -0.200 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.311 -1.107 8.254 1.00 0.00 H new ATOM 329 N ILE A 23 -13.262 3.307 6.832 1.00 0.00 N ATOM 330 CA ILE A 23 -12.782 4.719 6.870 1.00 0.00 C ATOM 331 C ILE A 23 -11.282 4.751 7.172 1.00 0.00 C ATOM 332 O ILE A 23 -10.489 5.223 6.382 1.00 0.00 O ATOM 333 CB ILE A 23 -13.536 5.481 7.962 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.031 5.488 7.637 1.00 0.00 C ATOM 335 CG2 ILE A 23 -13.024 6.920 8.029 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.272 6.289 6.356 1.00 0.00 C ATOM 0 H ILE A 23 -13.922 3.055 7.567 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.963 5.186 5.902 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.373 4.993 8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.392 4.467 7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.591 5.926 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.562 7.462 8.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.959 6.917 8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.186 7.409 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.337 6.294 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.927 7.313 6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.724 5.832 5.532 1.00 0.00 H new ATOM 348 N ASP A 24 -10.887 4.257 8.313 1.00 0.00 N ATOM 349 CA ASP A 24 -9.440 4.264 8.671 1.00 0.00 C ATOM 350 C ASP A 24 -8.683 3.264 7.793 1.00 0.00 C ATOM 351 O ASP A 24 -7.474 3.156 7.861 1.00 0.00 O ATOM 352 CB ASP A 24 -9.277 3.873 10.143 1.00 0.00 C ATOM 353 CG ASP A 24 -7.942 4.404 10.668 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.509 5.440 10.190 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.373 3.766 11.539 1.00 0.00 O ATOM 0 H ASP A 24 -11.505 3.848 9.014 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.035 5.263 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.099 4.280 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.316 2.789 10.249 1.00 0.00 H new ATOM 360 N ASP A 25 -9.379 2.528 6.970 1.00 0.00 N ATOM 361 CA ASP A 25 -8.691 1.536 6.097 1.00 0.00 C ATOM 362 C ASP A 25 -8.626 2.066 4.661 1.00 0.00 C ATOM 363 O ASP A 25 -7.900 1.554 3.834 1.00 0.00 O ATOM 364 CB ASP A 25 -9.464 0.216 6.116 1.00 0.00 C ATOM 365 CG ASP A 25 -9.319 -0.442 7.489 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.635 0.123 8.326 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.897 -1.500 7.681 1.00 0.00 O ATOM 0 H ASP A 25 -10.393 2.571 6.865 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.679 1.373 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.516 0.396 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.086 -0.450 5.340 1.00 0.00 H new ATOM 372 N ILE A 26 -9.384 3.083 4.356 1.00 0.00 N ATOM 373 CA ILE A 26 -9.367 3.636 2.971 1.00 0.00 C ATOM 374 C ILE A 26 -8.304 4.735 2.864 1.00 0.00 C ATOM 375 O ILE A 26 -8.618 5.896 2.689 1.00 0.00 O ATOM 376 CB ILE A 26 -10.742 4.220 2.640 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.740 3.082 2.410 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.643 5.074 1.375 1.00 0.00 C ATOM 379 CD1 ILE A 26 -13.141 3.536 2.827 1.00 0.00 C ATOM 0 H ILE A 26 -10.014 3.555 5.005 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.130 2.838 2.267 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.082 4.838 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.739 2.790 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.445 2.204 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.623 5.490 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.934 5.886 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.302 4.456 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.850 2.725 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.137 3.806 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.435 4.401 2.233 1.00 0.00 H new ATOM 391 N ASN A 27 -7.052 4.381 2.959 1.00 0.00 N ATOM 392 CA ASN A 27 -5.979 5.413 2.856 1.00 0.00 C ATOM 393 C ASN A 27 -4.617 4.765 3.110 1.00 0.00 C ATOM 394 O ASN A 27 -3.609 5.195 2.583 1.00 0.00 O ATOM 395 CB ASN A 27 -6.223 6.508 3.898 1.00 0.00 C ATOM 396 CG ASN A 27 -5.667 7.837 3.383 1.00 0.00 C ATOM 397 OD1 ASN A 27 -4.970 7.872 2.388 1.00 0.00 O ATOM 398 ND2 ASN A 27 -5.949 8.939 4.022 1.00 0.00 N ATOM 0 H ASN A 27 -6.725 3.426 3.103 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.992 5.849 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.290 6.602 4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.743 6.242 4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.584 9.831 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.534 8.909 4.857 1.00 0.00 H new ATOM 405 N PHE A 28 -4.573 3.738 3.913 1.00 0.00 N ATOM 406 CA PHE A 28 -3.270 3.072 4.193 1.00 0.00 C ATOM 407 C PHE A 28 -2.912 2.136 3.036 1.00 0.00 C ATOM 408 O PHE A 28 -3.390 1.022 2.957 1.00 0.00 O ATOM 409 CB PHE A 28 -3.370 2.264 5.490 1.00 0.00 C ATOM 410 CG PHE A 28 -2.147 1.388 5.624 1.00 0.00 C ATOM 411 CD1 PHE A 28 -0.931 1.944 6.041 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.226 0.023 5.325 1.00 0.00 C ATOM 413 CE1 PHE A 28 0.205 1.134 6.159 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.090 -0.787 5.444 1.00 0.00 C ATOM 415 CZ PHE A 28 0.126 -0.232 5.860 1.00 0.00 C ATOM 0 H PHE A 28 -5.380 3.332 4.386 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.495 3.831 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.447 2.935 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.272 1.652 5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.870 2.997 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.163 -0.406 5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.143 1.563 6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.152 -1.841 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.002 -0.857 5.950 1.00 0.00 H new ATOM 425 N PHE A 29 -2.064 2.575 2.146 1.00 0.00 N ATOM 426 CA PHE A 29 -1.669 1.704 1.001 1.00 0.00 C ATOM 427 C PHE A 29 -0.229 1.234 1.205 1.00 0.00 C ATOM 428 O PHE A 29 0.576 1.940 1.780 1.00 0.00 O ATOM 429 CB PHE A 29 -1.761 2.484 -0.318 1.00 0.00 C ATOM 430 CG PHE A 29 -1.607 3.961 -0.049 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.334 4.515 0.140 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.744 4.772 0.022 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.202 5.884 0.398 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.613 6.140 0.282 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.341 6.698 0.470 1.00 0.00 C ATOM 0 H PHE A 29 -1.628 3.497 2.161 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.343 0.848 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.985 2.147 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.719 2.291 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.543 3.887 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.724 4.342 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.778 6.314 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.491 6.766 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.239 7.754 0.670 1.00 0.00 H new ATOM 445 N PRO A 30 0.054 0.057 0.718 1.00 0.00 N ATOM 446 CA PRO A 30 1.394 -0.536 0.823 1.00 0.00 C ATOM 447 C PRO A 30 2.319 0.093 -0.220 1.00 0.00 C ATOM 448 O PRO A 30 3.525 0.044 -0.103 1.00 0.00 O ATOM 449 CB PRO A 30 1.154 -2.019 0.529 1.00 0.00 C ATOM 450 CG PRO A 30 -0.169 -2.097 -0.270 1.00 0.00 C ATOM 451 CD PRO A 30 -0.933 -0.792 0.019 1.00 0.00 C ATOM 0 HA PRO A 30 1.869 -0.378 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.980 -2.440 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.084 -2.592 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.028 -2.203 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.755 -2.965 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.282 -0.323 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.812 -0.973 0.638 1.00 0.00 H new ATOM 459 N CYS A 31 1.758 0.690 -1.238 1.00 0.00 N ATOM 460 CA CYS A 31 2.601 1.325 -2.291 1.00 0.00 C ATOM 461 C CYS A 31 2.106 2.751 -2.552 1.00 0.00 C ATOM 462 O CYS A 31 0.999 3.108 -2.205 1.00 0.00 O ATOM 463 CB CYS A 31 2.501 0.505 -3.577 1.00 0.00 C ATOM 464 SG CYS A 31 3.552 1.245 -4.850 1.00 0.00 S ATOM 0 H CYS A 31 0.751 0.765 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 31 3.639 1.359 -1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.809 -0.524 -3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.467 0.471 -3.919 1.00 0.00 H new ATOM 469 N THR A 32 2.924 3.573 -3.154 1.00 0.00 N ATOM 470 CA THR A 32 2.507 4.978 -3.427 1.00 0.00 C ATOM 471 C THR A 32 1.655 5.046 -4.701 1.00 0.00 C ATOM 472 O THR A 32 0.761 5.861 -4.810 1.00 0.00 O ATOM 473 CB THR A 32 3.752 5.851 -3.604 1.00 0.00 C ATOM 474 OG1 THR A 32 3.355 7.193 -3.844 1.00 0.00 O ATOM 475 CG2 THR A 32 4.573 5.338 -4.789 1.00 0.00 C ATOM 0 H THR A 32 3.864 3.331 -3.468 1.00 0.00 H new ATOM 0 HA THR A 32 1.915 5.339 -2.586 1.00 0.00 H new ATOM 0 HB THR A 32 4.360 5.808 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.150 7.754 -3.956 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.459 5.960 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.876 4.308 -4.603 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.969 5.380 -5.695 1.00 0.00 H new ATOM 483 N CYS A 33 1.926 4.214 -5.673 1.00 0.00 N ATOM 484 CA CYS A 33 1.123 4.264 -6.932 1.00 0.00 C ATOM 485 C CYS A 33 -0.365 4.376 -6.589 1.00 0.00 C ATOM 486 O CYS A 33 -1.088 5.151 -7.186 1.00 0.00 O ATOM 487 CB CYS A 33 1.379 3.010 -7.774 1.00 0.00 C ATOM 488 SG CYS A 33 0.567 1.578 -7.025 1.00 0.00 S ATOM 0 H CYS A 33 2.662 3.508 -5.651 1.00 0.00 H new ATOM 0 HA CYS A 33 1.423 5.137 -7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.005 3.161 -8.787 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.451 2.829 -7.853 1.00 0.00 H new ATOM 493 N GLY A 34 -0.832 3.630 -5.625 1.00 0.00 N ATOM 494 CA GLY A 34 -2.272 3.728 -5.254 1.00 0.00 C ATOM 495 C GLY A 34 -2.918 2.342 -5.221 1.00 0.00 C ATOM 496 O GLY A 34 -4.120 2.212 -5.346 1.00 0.00 O ATOM 0 H GLY A 34 -0.284 2.962 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.370 4.203 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.795 4.361 -5.971 1.00 0.00 H new ATOM 500 N TYR A 35 -2.149 1.302 -5.042 1.00 0.00 N ATOM 501 CA TYR A 35 -2.763 -0.055 -4.990 1.00 0.00 C ATOM 502 C TYR A 35 -3.181 -0.345 -3.548 1.00 0.00 C ATOM 503 O TYR A 35 -2.891 -1.390 -3.002 1.00 0.00 O ATOM 504 CB TYR A 35 -1.764 -1.115 -5.471 1.00 0.00 C ATOM 505 CG TYR A 35 -2.527 -2.310 -5.998 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.545 -2.124 -6.939 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.220 -3.602 -5.544 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.257 -3.225 -7.429 1.00 0.00 C ATOM 509 CE2 TYR A 35 -2.934 -4.703 -6.035 1.00 0.00 C ATOM 510 CZ TYR A 35 -3.953 -4.514 -6.977 1.00 0.00 C ATOM 511 OH TYR A 35 -4.656 -5.599 -7.460 1.00 0.00 O ATOM 0 H TYR A 35 -1.136 1.332 -4.931 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.633 -0.088 -5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.125 -0.703 -6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.112 -1.417 -4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.782 -1.130 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.434 -3.747 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.042 -3.080 -8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.698 -5.698 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.318 -6.419 -7.044 1.00 0.00 H new ATOM 521 N GLN A 36 -3.860 0.587 -2.931 1.00 0.00 N ATOM 522 CA GLN A 36 -4.306 0.398 -1.520 1.00 0.00 C ATOM 523 C GLN A 36 -4.789 -1.037 -1.312 1.00 0.00 C ATOM 524 O GLN A 36 -5.302 -1.669 -2.214 1.00 0.00 O ATOM 525 CB GLN A 36 -5.453 1.367 -1.221 1.00 0.00 C ATOM 526 CG GLN A 36 -5.578 1.570 0.290 1.00 0.00 C ATOM 527 CD GLN A 36 -6.213 2.934 0.569 1.00 0.00 C ATOM 528 OE1 GLN A 36 -5.522 3.894 0.842 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.510 3.061 0.509 1.00 0.00 N ATOM 0 H GLN A 36 -4.126 1.479 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.469 0.594 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.271 2.323 -1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.387 0.975 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.187 0.777 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.596 1.511 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.091 2.255 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.943 3.966 0.691 1.00 0.00 H new ATOM 538 N ILE A 37 -4.633 -1.552 -0.125 1.00 0.00 N ATOM 539 CA ILE A 37 -5.083 -2.943 0.152 1.00 0.00 C ATOM 540 C ILE A 37 -5.515 -3.046 1.617 1.00 0.00 C ATOM 541 O ILE A 37 -5.195 -2.200 2.427 1.00 0.00 O ATOM 542 CB ILE A 37 -3.931 -3.916 -0.116 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.895 -3.808 1.007 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.269 -3.564 -1.449 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.830 -4.890 0.823 1.00 0.00 C ATOM 0 H ILE A 37 -4.212 -1.067 0.668 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.923 -3.195 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.319 -4.934 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.432 -2.821 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.380 -3.921 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.449 -4.255 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.003 -3.640 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.883 -2.546 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.092 -4.814 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.300 -5.873 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.337 -4.756 -0.140 1.00 0.00 H new ATOM 557 N CYS A 38 -6.238 -4.074 1.965 1.00 0.00 N ATOM 558 CA CYS A 38 -6.678 -4.219 3.378 1.00 0.00 C ATOM 559 C CYS A 38 -5.440 -4.329 4.276 1.00 0.00 C ATOM 560 O CYS A 38 -4.355 -4.623 3.816 1.00 0.00 O ATOM 561 CB CYS A 38 -7.567 -5.465 3.513 1.00 0.00 C ATOM 562 SG CYS A 38 -6.551 -6.962 3.535 1.00 0.00 S ATOM 0 H CYS A 38 -6.541 -4.816 1.334 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.259 -3.349 3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.155 -5.403 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.273 -5.508 2.683 1.00 0.00 H new ATOM 567 N ARG A 39 -5.585 -4.075 5.549 1.00 0.00 N ATOM 568 CA ARG A 39 -4.405 -4.146 6.460 1.00 0.00 C ATOM 569 C ARG A 39 -4.015 -5.605 6.719 1.00 0.00 C ATOM 570 O ARG A 39 -3.015 -5.884 7.350 1.00 0.00 O ATOM 571 CB ARG A 39 -4.744 -3.457 7.783 1.00 0.00 C ATOM 572 CG ARG A 39 -4.889 -1.952 7.544 1.00 0.00 C ATOM 573 CD ARG A 39 -5.199 -1.248 8.866 1.00 0.00 C ATOM 574 NE ARG A 39 -4.110 -1.524 9.844 1.00 0.00 N ATOM 575 CZ ARG A 39 -2.909 -1.062 9.633 1.00 0.00 C ATOM 576 NH1 ARG A 39 -2.716 0.223 9.511 1.00 0.00 N ATOM 577 NH2 ARG A 39 -1.902 -1.885 9.541 1.00 0.00 N ATOM 0 H ARG A 39 -6.466 -3.822 5.997 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.562 -3.641 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.669 -3.863 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.961 -3.647 8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.971 -1.552 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.686 -1.763 6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.294 -0.174 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.153 -1.596 9.261 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.304 -2.075 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.505 0.866 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.776 0.584 9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.054 -2.889 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.962 -1.525 9.376 1.00 0.00 H new ATOM 591 N PHE A 40 -4.789 -6.537 6.237 1.00 0.00 N ATOM 592 CA PHE A 40 -4.452 -7.973 6.459 1.00 0.00 C ATOM 593 C PHE A 40 -3.658 -8.511 5.261 1.00 0.00 C ATOM 594 O PHE A 40 -3.050 -9.559 5.331 1.00 0.00 O ATOM 595 CB PHE A 40 -5.741 -8.782 6.620 1.00 0.00 C ATOM 596 CG PHE A 40 -5.471 -9.986 7.490 1.00 0.00 C ATOM 597 CD1 PHE A 40 -4.837 -9.827 8.729 1.00 0.00 C ATOM 598 CD2 PHE A 40 -5.851 -11.261 7.057 1.00 0.00 C ATOM 599 CE1 PHE A 40 -4.586 -10.944 9.535 1.00 0.00 C ATOM 600 CE2 PHE A 40 -5.600 -12.378 7.862 1.00 0.00 C ATOM 601 CZ PHE A 40 -4.968 -12.220 9.102 1.00 0.00 C ATOM 0 H PHE A 40 -5.639 -6.368 5.700 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.849 -8.064 7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.519 -8.163 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.109 -9.100 5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.542 -8.843 9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.338 -11.383 6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.098 -10.822 10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.894 -13.362 7.527 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.775 -13.082 9.724 1.00 0.00 H new ATOM 611 N CYS A 41 -3.656 -7.800 4.165 1.00 0.00 N ATOM 612 CA CYS A 41 -2.896 -8.271 2.970 1.00 0.00 C ATOM 613 C CYS A 41 -1.475 -7.707 3.011 1.00 0.00 C ATOM 614 O CYS A 41 -0.542 -8.308 2.519 1.00 0.00 O ATOM 615 CB CYS A 41 -3.597 -7.795 1.693 1.00 0.00 C ATOM 616 SG CYS A 41 -4.779 -9.049 1.136 1.00 0.00 S ATOM 0 H CYS A 41 -4.147 -6.914 4.045 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.855 -9.360 2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.113 -6.854 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.860 -7.605 0.912 1.00 0.00 H new ATOM 621 N TRP A 42 -1.306 -6.551 3.591 1.00 0.00 N ATOM 622 CA TRP A 42 0.051 -5.939 3.660 1.00 0.00 C ATOM 623 C TRP A 42 0.855 -6.601 4.782 1.00 0.00 C ATOM 624 O TRP A 42 2.059 -6.739 4.698 1.00 0.00 O ATOM 625 CB TRP A 42 -0.084 -4.442 3.943 1.00 0.00 C ATOM 626 CG TRP A 42 1.258 -3.871 4.279 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.305 -3.790 3.427 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.711 -3.303 5.541 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.373 -3.208 4.085 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.056 -2.888 5.391 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.091 -3.107 6.787 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.761 -2.302 6.443 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.798 -2.517 7.847 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.130 -2.116 7.676 1.00 0.00 C ATOM 0 H TRP A 42 -2.051 -6.003 4.021 1.00 0.00 H new ATOM 0 HA TRP A 42 0.567 -6.087 2.711 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.499 -3.933 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.777 -4.279 4.769 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.307 -4.125 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.283 -3.036 3.658 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.065 -3.412 6.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.787 -1.994 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.312 -2.371 8.800 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.668 -1.664 8.496 1.00 0.00 H new ATOM 645 N HIS A 43 0.199 -7.008 5.832 1.00 0.00 N ATOM 646 CA HIS A 43 0.924 -7.655 6.962 1.00 0.00 C ATOM 647 C HIS A 43 1.457 -9.021 6.522 1.00 0.00 C ATOM 648 O HIS A 43 2.308 -9.601 7.166 1.00 0.00 O ATOM 649 CB HIS A 43 -0.038 -7.843 8.137 1.00 0.00 C ATOM 650 CG HIS A 43 0.372 -6.949 9.274 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.347 -7.317 10.190 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.054 -5.704 9.661 1.00 0.00 C ATOM 653 CE1 HIS A 43 1.474 -6.309 11.073 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.643 -5.301 10.796 1.00 0.00 N ATOM 0 H HIS A 43 -0.810 -6.921 5.957 1.00 0.00 H new ATOM 0 HA HIS A 43 1.759 -7.023 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.057 -7.609 7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.034 -8.884 8.460 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.815 -5.124 9.160 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.164 -6.315 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.541 -4.424 11.307 1.00 0.00 H new ATOM 662 N ARG A 44 0.960 -9.545 5.435 1.00 0.00 N ATOM 663 CA ARG A 44 1.436 -10.877 4.965 1.00 0.00 C ATOM 664 C ARG A 44 2.479 -10.693 3.858 1.00 0.00 C ATOM 665 O ARG A 44 3.379 -11.495 3.702 1.00 0.00 O ATOM 666 CB ARG A 44 0.248 -11.675 4.421 1.00 0.00 C ATOM 667 CG ARG A 44 0.567 -13.171 4.474 1.00 0.00 C ATOM 668 CD ARG A 44 -0.242 -13.903 3.401 1.00 0.00 C ATOM 669 NE ARG A 44 -1.275 -14.756 4.052 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.281 -16.044 3.841 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.031 -16.548 2.899 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.537 -16.828 4.571 1.00 0.00 N ATOM 0 H ARG A 44 0.245 -9.109 4.852 1.00 0.00 H new ATOM 0 HA ARG A 44 1.889 -11.415 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.645 -11.462 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.034 -11.375 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.633 -13.332 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.329 -13.570 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.717 -13.183 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.418 -14.517 2.788 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.976 -14.335 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.613 -15.935 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.035 -17.555 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.050 -16.435 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.542 -17.835 4.406 1.00 0.00 H new ATOM 686 N ILE A 45 2.363 -9.647 3.088 1.00 0.00 N ATOM 687 CA ILE A 45 3.343 -9.416 1.989 1.00 0.00 C ATOM 688 C ILE A 45 4.689 -8.986 2.578 1.00 0.00 C ATOM 689 O ILE A 45 5.737 -9.363 2.092 1.00 0.00 O ATOM 690 CB ILE A 45 2.812 -8.318 1.065 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.559 -8.825 0.347 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.876 -7.949 0.029 1.00 0.00 C ATOM 693 CD1 ILE A 45 1.014 -7.727 -0.567 1.00 0.00 C ATOM 0 H ILE A 45 1.631 -8.941 3.172 1.00 0.00 H new ATOM 0 HA ILE A 45 3.480 -10.337 1.423 1.00 0.00 H new ATOM 0 HB ILE A 45 2.568 -7.436 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.797 -9.714 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.802 -9.115 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.491 -7.167 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.770 -7.589 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.126 -8.828 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.122 -8.089 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.761 -6.850 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.771 -7.458 -1.304 1.00 0.00 H new ATOM 705 N ARG A 46 4.673 -8.200 3.619 1.00 0.00 N ATOM 706 CA ARG A 46 5.957 -7.750 4.229 1.00 0.00 C ATOM 707 C ARG A 46 6.480 -8.827 5.182 1.00 0.00 C ATOM 708 O ARG A 46 7.407 -8.605 5.934 1.00 0.00 O ATOM 709 CB ARG A 46 5.727 -6.452 5.005 1.00 0.00 C ATOM 710 CG ARG A 46 6.525 -5.321 4.351 1.00 0.00 C ATOM 711 CD ARG A 46 7.164 -4.454 5.437 1.00 0.00 C ATOM 712 NE ARG A 46 8.642 -4.647 5.423 1.00 0.00 N ATOM 713 CZ ARG A 46 9.257 -5.071 6.494 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.009 -4.519 7.651 1.00 0.00 N ATOM 715 NH2 ARG A 46 10.119 -6.047 6.409 1.00 0.00 N ATOM 0 H ARG A 46 3.829 -7.850 4.073 1.00 0.00 H new ATOM 0 HA ARG A 46 6.690 -7.578 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.666 -6.204 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.035 -6.576 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.296 -5.734 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.871 -4.715 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.922 -3.405 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.761 -4.721 6.414 1.00 0.00 H new ATOM 0 HE ARG A 46 9.174 -4.448 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.335 -3.757 7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.489 -4.850 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.313 -6.479 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.599 -6.378 7.246 1.00 0.00 H new ATOM 729 N THR A 47 5.895 -9.993 5.157 1.00 0.00 N ATOM 730 CA THR A 47 6.365 -11.077 6.063 1.00 0.00 C ATOM 731 C THR A 47 6.174 -12.431 5.377 1.00 0.00 C ATOM 732 O THR A 47 6.240 -13.470 6.003 1.00 0.00 O ATOM 733 CB THR A 47 5.556 -11.042 7.362 1.00 0.00 C ATOM 734 OG1 THR A 47 4.184 -11.268 7.069 1.00 0.00 O ATOM 735 CG2 THR A 47 5.721 -9.676 8.027 1.00 0.00 C ATOM 0 H THR A 47 5.114 -10.241 4.550 1.00 0.00 H new ATOM 0 HA THR A 47 7.421 -10.931 6.290 1.00 0.00 H new ATOM 0 HB THR A 47 5.915 -11.818 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.636 -10.603 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.145 -9.650 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.774 -9.505 8.250 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.361 -8.898 7.354 1.00 0.00 H new ATOM 743 N ASP A 48 5.939 -12.427 4.094 1.00 0.00 N ATOM 744 CA ASP A 48 5.745 -13.714 3.370 1.00 0.00 C ATOM 745 C ASP A 48 5.798 -13.466 1.861 1.00 0.00 C ATOM 746 O ASP A 48 6.665 -13.964 1.171 1.00 0.00 O ATOM 747 CB ASP A 48 4.385 -14.305 3.742 1.00 0.00 C ATOM 748 CG ASP A 48 4.430 -15.826 3.591 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.311 -16.307 2.899 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.584 -16.485 4.173 1.00 0.00 O ATOM 0 H ASP A 48 5.873 -11.589 3.516 1.00 0.00 H new ATOM 0 HA ASP A 48 6.535 -14.411 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.129 -14.038 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.608 -13.888 3.101 1.00 0.00 H new ATOM 755 N GLU A 49 4.879 -12.698 1.344 1.00 0.00 N ATOM 756 CA GLU A 49 4.876 -12.421 -0.120 1.00 0.00 C ATOM 757 C GLU A 49 6.008 -11.448 -0.460 1.00 0.00 C ATOM 758 O GLU A 49 7.047 -11.446 0.171 1.00 0.00 O ATOM 759 CB GLU A 49 3.534 -11.805 -0.520 1.00 0.00 C ATOM 760 CG GLU A 49 3.136 -12.305 -1.911 1.00 0.00 C ATOM 761 CD GLU A 49 2.453 -13.669 -1.790 1.00 0.00 C ATOM 762 OE1 GLU A 49 1.875 -13.930 -0.747 1.00 0.00 O ATOM 763 OE2 GLU A 49 2.520 -14.430 -2.742 1.00 0.00 O ATOM 0 H GLU A 49 4.130 -12.250 1.872 1.00 0.00 H new ATOM 0 HA GLU A 49 5.024 -13.353 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.768 -12.073 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.607 -10.717 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.463 -11.591 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.018 -12.384 -2.546 1.00 0.00 H new ATOM 770 N ASN A 50 5.820 -10.625 -1.455 1.00 0.00 N ATOM 771 CA ASN A 50 6.887 -9.658 -1.837 1.00 0.00 C ATOM 772 C ASN A 50 6.476 -8.245 -1.418 1.00 0.00 C ATOM 773 O ASN A 50 5.513 -7.696 -1.914 1.00 0.00 O ATOM 774 CB ASN A 50 7.089 -9.699 -3.352 1.00 0.00 C ATOM 775 CG ASN A 50 8.585 -9.751 -3.668 1.00 0.00 C ATOM 776 OD1 ASN A 50 9.289 -10.616 -3.189 1.00 0.00 O ATOM 777 ND2 ASN A 50 9.102 -8.854 -4.462 1.00 0.00 N ATOM 0 H ASN A 50 4.972 -10.581 -2.020 1.00 0.00 H new ATOM 0 HA ASN A 50 7.816 -9.928 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.587 -10.571 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.640 -8.819 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.098 -8.880 -4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.510 -8.127 -4.864 1.00 0.00 H new ATOM 784 N GLY A 51 7.205 -7.651 -0.512 1.00 0.00 N ATOM 785 CA GLY A 51 6.866 -6.271 -0.058 1.00 0.00 C ATOM 786 C GLY A 51 6.702 -5.342 -1.267 1.00 0.00 C ATOM 787 O GLY A 51 6.135 -4.271 -1.164 1.00 0.00 O ATOM 0 H GLY A 51 8.024 -8.064 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.945 -6.288 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.651 -5.893 0.597 1.00 0.00 H new ATOM 791 N LEU A 52 7.198 -5.734 -2.411 1.00 0.00 N ATOM 792 CA LEU A 52 7.061 -4.861 -3.608 1.00 0.00 C ATOM 793 C LEU A 52 5.578 -4.681 -3.941 1.00 0.00 C ATOM 794 O LEU A 52 4.710 -5.217 -3.281 1.00 0.00 O ATOM 795 CB LEU A 52 7.777 -5.497 -4.805 1.00 0.00 C ATOM 796 CG LEU A 52 9.297 -5.498 -4.590 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.993 -5.580 -5.950 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.737 -4.210 -3.883 1.00 0.00 C ATOM 0 H LEU A 52 7.688 -6.615 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 52 7.511 -3.891 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.424 -6.519 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.534 -4.948 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 52 9.567 -6.354 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.073 -5.581 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.693 -6.497 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.709 -4.720 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.817 -4.226 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.465 -3.349 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.242 -4.139 -2.915 1.00 0.00 H new ATOM 810 N CYS A 53 5.288 -3.921 -4.959 1.00 0.00 N ATOM 811 CA CYS A 53 3.866 -3.686 -5.346 1.00 0.00 C ATOM 812 C CYS A 53 3.421 -4.734 -6.372 1.00 0.00 C ATOM 813 O CYS A 53 4.060 -4.903 -7.393 1.00 0.00 O ATOM 814 CB CYS A 53 3.739 -2.300 -5.978 1.00 0.00 C ATOM 815 SG CYS A 53 1.995 -1.828 -6.070 1.00 0.00 S ATOM 0 H CYS A 53 5.977 -3.449 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 53 3.240 -3.757 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.293 -1.569 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.178 -2.303 -6.976 1.00 0.00 H new ATOM 820 N PRO A 54 2.329 -5.396 -6.085 1.00 0.00 N ATOM 821 CA PRO A 54 1.767 -6.414 -6.984 1.00 0.00 C ATOM 822 C PRO A 54 0.960 -5.736 -8.095 1.00 0.00 C ATOM 823 O PRO A 54 0.273 -6.383 -8.861 1.00 0.00 O ATOM 824 CB PRO A 54 0.847 -7.229 -6.071 1.00 0.00 C ATOM 825 CG PRO A 54 0.488 -6.308 -4.880 1.00 0.00 C ATOM 826 CD PRO A 54 1.557 -5.199 -4.840 1.00 0.00 C ATOM 0 HA PRO A 54 2.524 -7.026 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.051 -7.543 -6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.345 -8.135 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.507 -5.882 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.478 -6.870 -3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.103 -4.209 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.192 -5.289 -3.959 1.00 0.00 H new ATOM 834 N ALA A 55 1.024 -4.430 -8.178 1.00 0.00 N ATOM 835 CA ALA A 55 0.245 -3.713 -9.228 1.00 0.00 C ATOM 836 C ALA A 55 1.175 -2.861 -10.101 1.00 0.00 C ATOM 837 O ALA A 55 0.965 -2.730 -11.290 1.00 0.00 O ATOM 838 CB ALA A 55 -0.787 -2.803 -8.556 1.00 0.00 C ATOM 0 H ALA A 55 1.580 -3.834 -7.566 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.255 -4.448 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.359 -2.276 -9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.462 -3.405 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.275 -2.079 -7.922 1.00 0.00 H new ATOM 844 N CYS A 56 2.189 -2.265 -9.529 1.00 0.00 N ATOM 845 CA CYS A 56 3.098 -1.413 -10.354 1.00 0.00 C ATOM 846 C CYS A 56 4.555 -1.874 -10.201 1.00 0.00 C ATOM 847 O CYS A 56 5.428 -1.440 -10.927 1.00 0.00 O ATOM 848 CB CYS A 56 2.951 0.055 -9.915 1.00 0.00 C ATOM 849 SG CYS A 56 3.943 0.380 -8.431 1.00 0.00 S ATOM 0 H CYS A 56 2.426 -2.329 -8.539 1.00 0.00 H new ATOM 0 HA CYS A 56 2.823 -1.506 -11.405 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.268 0.715 -10.722 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.903 0.277 -9.714 1.00 0.00 H new ATOM 854 N ARG A 57 4.827 -2.745 -9.270 1.00 0.00 N ATOM 855 CA ARG A 57 6.229 -3.224 -9.082 1.00 0.00 C ATOM 856 C ARG A 57 7.058 -2.137 -8.389 1.00 0.00 C ATOM 857 O ARG A 57 8.005 -1.615 -8.941 1.00 0.00 O ATOM 858 CB ARG A 57 6.851 -3.548 -10.442 1.00 0.00 C ATOM 859 CG ARG A 57 7.591 -4.885 -10.360 1.00 0.00 C ATOM 860 CD ARG A 57 7.388 -5.665 -11.660 1.00 0.00 C ATOM 861 NE ARG A 57 7.742 -7.095 -11.439 1.00 0.00 N ATOM 862 CZ ARG A 57 6.813 -8.011 -11.491 1.00 0.00 C ATOM 863 NH1 ARG A 57 6.108 -8.163 -12.577 1.00 0.00 N ATOM 864 NH2 ARG A 57 6.593 -8.775 -10.455 1.00 0.00 N ATOM 0 H ARG A 57 4.141 -3.147 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 57 6.220 -4.122 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.075 -3.596 -11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.540 -2.756 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.654 -4.714 -10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.222 -5.465 -9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.352 -5.582 -11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.008 -5.243 -12.451 1.00 0.00 H new ATOM 0 HE ARG A 57 8.709 -7.358 -11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.282 -7.566 -13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.382 -8.879 -12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.147 -8.656 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.868 -9.491 -10.494 1.00 0.00 H new ATOM 878 N LYS A 58 6.707 -1.802 -7.180 1.00 0.00 N ATOM 879 CA LYS A 58 7.462 -0.760 -6.431 1.00 0.00 C ATOM 880 C LYS A 58 7.566 -1.190 -4.965 1.00 0.00 C ATOM 881 O LYS A 58 6.674 -1.829 -4.447 1.00 0.00 O ATOM 882 CB LYS A 58 6.716 0.574 -6.515 1.00 0.00 C ATOM 883 CG LYS A 58 7.195 1.359 -7.738 1.00 0.00 C ATOM 884 CD LYS A 58 7.925 2.623 -7.278 1.00 0.00 C ATOM 885 CE LYS A 58 9.143 2.864 -8.172 1.00 0.00 C ATOM 886 NZ LYS A 58 9.713 4.210 -7.882 1.00 0.00 N ATOM 0 H LYS A 58 5.921 -2.210 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 58 8.457 -0.643 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.643 0.397 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.887 1.155 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.860 0.742 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.346 1.625 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.253 3.480 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.238 2.517 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.894 2.094 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.856 2.797 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.541 4.375 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.995 4.939 -8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.001 4.257 -6.884 1.00 0.00 H new ATOM 900 N PRO A 59 8.648 -0.827 -4.335 1.00 0.00 N ATOM 901 CA PRO A 59 8.884 -1.169 -2.924 1.00 0.00 C ATOM 902 C PRO A 59 8.013 -0.298 -2.016 1.00 0.00 C ATOM 903 O PRO A 59 8.122 0.912 -2.015 1.00 0.00 O ATOM 904 CB PRO A 59 10.373 -0.874 -2.725 1.00 0.00 C ATOM 905 CG PRO A 59 10.772 0.124 -3.838 1.00 0.00 C ATOM 906 CD PRO A 59 9.728 -0.036 -4.960 1.00 0.00 C ATOM 0 HA PRO A 59 8.632 -2.201 -2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.556 -0.449 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.963 -1.788 -2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.781 1.146 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.775 -0.087 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.364 0.931 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.148 -0.548 -5.826 1.00 0.00 H new ATOM 914 N TYR A 60 7.141 -0.906 -1.253 1.00 0.00 N ATOM 915 CA TYR A 60 6.252 -0.119 -0.349 1.00 0.00 C ATOM 916 C TYR A 60 7.043 1.033 0.285 1.00 0.00 C ATOM 917 O TYR A 60 8.100 0.814 0.844 1.00 0.00 O ATOM 918 CB TYR A 60 5.721 -1.036 0.758 1.00 0.00 C ATOM 919 CG TYR A 60 4.940 -2.181 0.151 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.456 -2.092 -1.162 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.696 -3.334 0.907 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.732 -3.154 -1.714 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.972 -4.396 0.354 1.00 0.00 C ATOM 924 CZ TYR A 60 3.490 -4.306 -0.958 1.00 0.00 C ATOM 925 OH TYR A 60 2.776 -5.351 -1.505 1.00 0.00 O ATOM 0 H TYR A 60 7.007 -1.917 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 60 5.421 0.289 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.550 -1.424 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.083 -0.469 1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.642 -1.204 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.067 -3.404 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.359 -3.085 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.785 -5.285 0.939 1.00 0.00 H new ATOM 0 HH TYR A 60 3.291 -5.751 -2.237 1.00 0.00 H new ATOM 935 N PRO A 61 6.514 2.229 0.180 1.00 0.00 N ATOM 936 CA PRO A 61 7.165 3.426 0.736 1.00 0.00 C ATOM 937 C PRO A 61 6.928 3.502 2.247 1.00 0.00 C ATOM 938 O PRO A 61 7.696 4.097 2.976 1.00 0.00 O ATOM 939 CB PRO A 61 6.472 4.583 0.012 1.00 0.00 C ATOM 940 CG PRO A 61 5.108 4.039 -0.477 1.00 0.00 C ATOM 941 CD PRO A 61 5.227 2.503 -0.496 1.00 0.00 C ATOM 0 HA PRO A 61 8.246 3.434 0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.334 5.432 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.074 4.932 -0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.304 4.357 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.872 4.422 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.394 2.033 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.222 2.116 -1.515 1.00 0.00 H new ATOM 949 N GLU A 62 5.871 2.900 2.720 1.00 0.00 N ATOM 950 CA GLU A 62 5.587 2.936 4.182 1.00 0.00 C ATOM 951 C GLU A 62 5.591 4.387 4.667 1.00 0.00 C ATOM 952 O GLU A 62 5.491 5.312 3.887 1.00 0.00 O ATOM 953 CB GLU A 62 6.663 2.144 4.929 1.00 0.00 C ATOM 954 CG GLU A 62 7.049 0.910 4.113 1.00 0.00 C ATOM 955 CD GLU A 62 8.445 1.106 3.519 1.00 0.00 C ATOM 956 OE1 GLU A 62 8.969 2.201 3.637 1.00 0.00 O ATOM 957 OE2 GLU A 62 8.967 0.157 2.958 1.00 0.00 O ATOM 0 H GLU A 62 5.193 2.386 2.158 1.00 0.00 H new ATOM 0 HA GLU A 62 4.610 2.492 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.539 2.770 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.293 1.843 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.033 0.023 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.323 0.746 3.316 1.00 0.00 H new ATOM 964 N ASP A 63 5.707 4.592 5.950 1.00 0.00 N ATOM 965 CA ASP A 63 5.717 5.982 6.486 1.00 0.00 C ATOM 966 C ASP A 63 6.630 6.859 5.620 1.00 0.00 C ATOM 967 O ASP A 63 7.838 6.748 5.696 1.00 0.00 O ATOM 968 CB ASP A 63 6.249 5.966 7.921 1.00 0.00 C ATOM 969 CG ASP A 63 5.935 7.303 8.595 1.00 0.00 C ATOM 970 OD1 ASP A 63 5.124 8.039 8.058 1.00 0.00 O ATOM 971 OD2 ASP A 63 6.513 7.568 9.638 1.00 0.00 O ATOM 0 H ASP A 63 5.795 3.856 6.651 1.00 0.00 H new ATOM 0 HA ASP A 63 4.704 6.384 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.794 5.149 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.325 5.791 7.920 1.00 0.00 H new ATOM 976 N PRO A 64 6.029 7.709 4.825 1.00 0.00 N ATOM 977 CA PRO A 64 6.772 8.621 3.937 1.00 0.00 C ATOM 978 C PRO A 64 7.329 9.804 4.736 1.00 0.00 C ATOM 979 O PRO A 64 8.507 10.094 4.694 1.00 0.00 O ATOM 980 CB PRO A 64 5.713 9.089 2.934 1.00 0.00 C ATOM 981 CG PRO A 64 4.342 8.885 3.621 1.00 0.00 C ATOM 982 CD PRO A 64 4.560 7.843 4.736 1.00 0.00 C ATOM 0 HA PRO A 64 7.628 8.149 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.863 10.136 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.773 8.515 2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.972 9.823 4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.598 8.537 2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.133 8.176 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.088 6.892 4.490 1.00 0.00 H new ATOM 990 N ALA A 65 6.487 10.485 5.464 1.00 0.00 N ATOM 991 CA ALA A 65 6.965 11.646 6.267 1.00 0.00 C ATOM 992 C ALA A 65 5.767 12.336 6.922 1.00 0.00 C ATOM 993 O ALA A 65 5.740 13.541 7.076 1.00 0.00 O ATOM 994 CB ALA A 65 7.689 12.637 5.353 1.00 0.00 C ATOM 0 H ALA A 65 5.489 10.288 5.537 1.00 0.00 H new ATOM 0 HA ALA A 65 7.652 11.298 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.038 13.486 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.541 12.144 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.004 12.988 4.581 1.00 0.00 H new ATOM 1000 N VAL A 66 4.775 11.580 7.308 1.00 0.00 N ATOM 1001 CA VAL A 66 3.578 12.191 7.952 1.00 0.00 C ATOM 1002 C VAL A 66 3.627 11.944 9.461 1.00 0.00 C ATOM 1003 O VAL A 66 3.150 12.741 10.246 1.00 0.00 O ATOM 1004 CB VAL A 66 2.312 11.557 7.375 1.00 0.00 C ATOM 1005 CG1 VAL A 66 2.128 12.009 5.926 1.00 0.00 C ATOM 1006 CG2 VAL A 66 2.444 10.033 7.420 1.00 0.00 C ATOM 0 H VAL A 66 4.742 10.566 7.205 1.00 0.00 H new ATOM 0 HA VAL A 66 3.570 13.264 7.760 1.00 0.00 H new ATOM 0 HB VAL A 66 1.449 11.868 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.225 11.557 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.037 13.095 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.990 11.698 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.543 9.577 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.307 9.725 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.576 9.710 8.453 1.00 0.00 H new ATOM 1016 N TYR A 67 4.195 10.846 9.874 1.00 0.00 N ATOM 1017 CA TYR A 67 4.269 10.548 11.330 1.00 0.00 C ATOM 1018 C TYR A 67 5.589 11.075 11.898 1.00 0.00 C ATOM 1019 O TYR A 67 6.544 11.290 11.179 1.00 0.00 O ATOM 1020 CB TYR A 67 4.189 9.036 11.546 1.00 0.00 C ATOM 1021 CG TYR A 67 3.978 8.748 13.014 1.00 0.00 C ATOM 1022 CD1 TYR A 67 2.717 8.936 13.591 1.00 0.00 C ATOM 1023 CD2 TYR A 67 5.046 8.293 13.797 1.00 0.00 C ATOM 1024 CE1 TYR A 67 2.523 8.671 14.953 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.852 8.026 15.157 1.00 0.00 C ATOM 1026 CZ TYR A 67 3.592 8.216 15.736 1.00 0.00 C ATOM 1027 OH TYR A 67 3.402 7.952 17.077 1.00 0.00 O ATOM 0 H TYR A 67 4.611 10.142 9.265 1.00 0.00 H new ATOM 0 HA TYR A 67 3.437 11.034 11.840 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.370 8.617 10.961 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.106 8.559 11.199 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.893 9.285 12.986 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.019 8.148 13.352 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.550 8.817 15.399 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.675 7.673 15.760 1.00 0.00 H new ATOM 0 HH TYR A 67 4.244 7.644 17.472 1.00 0.00 H new ATOM 1037 N LYS A 68 5.645 11.284 13.184 1.00 0.00 N ATOM 1038 CA LYS A 68 6.898 11.796 13.808 1.00 0.00 C ATOM 1039 C LYS A 68 7.078 11.140 15.181 1.00 0.00 C ATOM 1040 O LYS A 68 6.517 11.594 16.159 1.00 0.00 O ATOM 1041 CB LYS A 68 6.800 13.313 13.976 1.00 0.00 C ATOM 1042 CG LYS A 68 6.179 13.925 12.719 1.00 0.00 C ATOM 1043 CD LYS A 68 6.703 15.350 12.534 1.00 0.00 C ATOM 1044 CE LYS A 68 6.222 16.224 13.694 1.00 0.00 C ATOM 1045 NZ LYS A 68 7.076 15.975 14.889 1.00 0.00 N ATOM 0 H LYS A 68 4.874 11.122 13.832 1.00 0.00 H new ATOM 0 HA LYS A 68 7.751 11.557 13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.194 13.555 14.849 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.790 13.735 14.148 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.425 13.319 11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.092 13.934 12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.792 15.346 12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.351 15.758 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.267 17.276 13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.180 16.000 13.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.166 16.852 15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.640 15.238 15.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.019 15.661 14.583 1.00 0.00 H new ATOM 1059 N PRO A 69 7.850 10.082 15.210 1.00 0.00 N ATOM 1060 CA PRO A 69 8.116 9.328 16.448 1.00 0.00 C ATOM 1061 C PRO A 69 9.134 10.059 17.328 1.00 0.00 C ATOM 1062 O PRO A 69 8.853 10.403 18.459 1.00 0.00 O ATOM 1063 CB PRO A 69 8.684 7.999 15.942 1.00 0.00 C ATOM 1064 CG PRO A 69 9.233 8.269 14.522 1.00 0.00 C ATOM 1065 CD PRO A 69 8.528 9.542 14.014 1.00 0.00 C ATOM 0 HA PRO A 69 7.228 9.202 17.067 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.474 7.638 16.601 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.912 7.230 15.920 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.314 8.407 14.544 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.033 7.425 13.862 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.242 10.256 13.604 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.816 9.313 13.221 1.00 0.00 H new ATOM 1073 N LEU A 70 10.317 10.289 16.827 1.00 0.00 N ATOM 1074 CA LEU A 70 11.345 10.985 17.651 1.00 0.00 C ATOM 1075 C LEU A 70 11.886 12.201 16.897 1.00 0.00 C ATOM 1076 O LEU A 70 11.464 12.506 15.798 1.00 0.00 O ATOM 1077 CB LEU A 70 12.489 10.017 17.954 1.00 0.00 C ATOM 1078 CG LEU A 70 11.973 8.892 18.851 1.00 0.00 C ATOM 1079 CD1 LEU A 70 12.519 7.551 18.360 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.434 9.136 20.290 1.00 0.00 C ATOM 0 H LEU A 70 10.615 10.027 15.887 1.00 0.00 H new ATOM 0 HA LEU A 70 10.892 11.321 18.584 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.888 9.605 17.027 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.306 10.544 18.446 1.00 0.00 H new ATOM 0 HG LEU A 70 10.884 8.872 18.816 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.149 6.751 19.001 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.189 7.377 17.336 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.608 7.568 18.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.067 8.334 20.931 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.523 9.158 20.324 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.041 10.090 20.641 1.00 0.00 H new ATOM 1092 N SER A 71 12.817 12.904 17.485 1.00 0.00 N ATOM 1093 CA SER A 71 13.386 14.107 16.816 1.00 0.00 C ATOM 1094 C SER A 71 14.370 13.673 15.726 1.00 0.00 C ATOM 1095 O SER A 71 14.490 12.507 15.411 1.00 0.00 O ATOM 1096 CB SER A 71 14.117 14.962 17.851 1.00 0.00 C ATOM 1097 OG SER A 71 13.194 15.856 18.459 1.00 0.00 O ATOM 0 H SER A 71 13.208 12.695 18.403 1.00 0.00 H new ATOM 0 HA SER A 71 12.581 14.687 16.364 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.576 14.325 18.607 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.922 15.521 17.374 1.00 0.00 H new ATOM 0 HG SER A 71 13.660 16.404 19.124 1.00 0.00 H new ATOM 1103 N GLN A 72 15.075 14.608 15.150 1.00 0.00 N ATOM 1104 CA GLN A 72 16.050 14.256 14.080 1.00 0.00 C ATOM 1105 C GLN A 72 17.292 13.621 14.712 1.00 0.00 C ATOM 1106 O GLN A 72 17.965 14.226 15.523 1.00 0.00 O ATOM 1107 CB GLN A 72 16.453 15.523 13.322 1.00 0.00 C ATOM 1108 CG GLN A 72 17.646 15.220 12.412 1.00 0.00 C ATOM 1109 CD GLN A 72 18.812 16.144 12.773 1.00 0.00 C ATOM 1110 OE1 GLN A 72 18.841 16.712 13.846 1.00 0.00 O ATOM 1111 NE2 GLN A 72 19.780 16.320 11.914 1.00 0.00 N ATOM 0 H GLN A 72 15.018 15.601 15.375 1.00 0.00 H new ATOM 0 HA GLN A 72 15.593 13.549 13.388 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.614 15.887 12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 72 16.712 16.313 14.026 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.946 14.178 12.523 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.366 15.361 11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.755 15.843 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.561 16.935 12.144 1.00 0.00 H new ATOM 1120 N GLU A 73 17.601 12.408 14.346 1.00 0.00 N ATOM 1121 CA GLU A 73 18.799 11.739 14.925 1.00 0.00 C ATOM 1122 C GLU A 73 20.063 12.454 14.443 1.00 0.00 C ATOM 1123 O GLU A 73 20.234 12.707 13.267 1.00 0.00 O ATOM 1124 CB GLU A 73 18.835 10.278 14.474 1.00 0.00 C ATOM 1125 CG GLU A 73 18.460 10.189 12.993 1.00 0.00 C ATOM 1126 CD GLU A 73 19.536 9.407 12.238 1.00 0.00 C ATOM 1127 OE1 GLU A 73 20.699 9.562 12.574 1.00 0.00 O ATOM 1128 OE2 GLU A 73 19.180 8.666 11.337 1.00 0.00 O ATOM 0 H GLU A 73 17.076 11.852 13.671 1.00 0.00 H new ATOM 0 HA GLU A 73 18.750 11.781 16.013 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.830 9.862 14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.142 9.685 15.071 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.493 9.698 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.360 11.189 12.572 1.00 0.00 H new ATOM 1135 N GLU A 74 20.951 12.781 15.342 1.00 0.00 N ATOM 1136 CA GLU A 74 22.203 13.479 14.935 1.00 0.00 C ATOM 1137 C GLU A 74 22.864 14.102 16.166 1.00 0.00 C ATOM 1138 O GLU A 74 23.246 15.255 16.162 1.00 0.00 O ATOM 1139 CB GLU A 74 21.869 14.580 13.925 1.00 0.00 C ATOM 1140 CG GLU A 74 22.255 14.114 12.519 1.00 0.00 C ATOM 1141 CD GLU A 74 23.119 15.182 11.846 1.00 0.00 C ATOM 1142 OE1 GLU A 74 22.734 16.339 11.885 1.00 0.00 O ATOM 1143 OE2 GLU A 74 24.152 14.825 11.303 1.00 0.00 O ATOM 0 H GLU A 74 20.863 12.595 16.341 1.00 0.00 H new ATOM 0 HA GLU A 74 22.886 12.762 14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 74 20.805 14.813 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.405 15.495 14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.800 13.172 12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.359 13.930 11.927 1.00 0.00 H new ATOM 1150 N LEU A 75 23.005 13.348 17.221 1.00 0.00 N ATOM 1151 CA LEU A 75 23.644 13.898 18.450 1.00 0.00 C ATOM 1152 C LEU A 75 23.974 12.752 19.409 1.00 0.00 C ATOM 1153 O LEU A 75 23.123 11.960 19.759 1.00 0.00 O ATOM 1154 CB LEU A 75 22.686 14.877 19.133 1.00 0.00 C ATOM 1155 CG LEU A 75 21.310 14.226 19.284 1.00 0.00 C ATOM 1156 CD1 LEU A 75 21.001 14.030 20.769 1.00 0.00 C ATOM 1157 CD2 LEU A 75 20.247 15.132 18.657 1.00 0.00 C ATOM 0 H LEU A 75 22.706 12.375 17.285 1.00 0.00 H new ATOM 0 HA LEU A 75 24.561 14.421 18.179 1.00 0.00 H new ATOM 0 HB2 LEU A 75 23.075 15.160 20.111 1.00 0.00 H new ATOM 0 HB3 LEU A 75 22.605 15.792 18.546 1.00 0.00 H new ATOM 0 HG LEU A 75 21.307 13.259 18.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 20.021 13.566 20.879 1.00 0.00 H new ATOM 0 HD12 LEU A 75 21.759 13.387 21.217 1.00 0.00 H new ATOM 0 HD13 LEU A 75 21.003 14.997 21.272 1.00 0.00 H new ATOM 0 HD21 LEU A 75 19.266 14.669 18.764 1.00 0.00 H new ATOM 0 HD22 LEU A 75 20.249 16.098 19.161 1.00 0.00 H new ATOM 0 HD23 LEU A 75 20.468 15.274 17.599 1.00 0.00 H new ATOM 1169 N GLN A 76 25.204 12.657 19.835 1.00 0.00 N ATOM 1170 CA GLN A 76 25.584 11.560 20.771 1.00 0.00 C ATOM 1171 C GLN A 76 26.987 11.826 21.327 1.00 0.00 C ATOM 1172 O GLN A 76 27.969 11.312 20.829 1.00 0.00 O ATOM 1173 CB GLN A 76 25.577 10.226 20.022 1.00 0.00 C ATOM 1174 CG GLN A 76 24.841 9.176 20.854 1.00 0.00 C ATOM 1175 CD GLN A 76 24.629 7.915 20.013 1.00 0.00 C ATOM 1176 OE1 GLN A 76 25.495 7.526 19.254 1.00 0.00 O ATOM 1177 NE2 GLN A 76 23.507 7.258 20.115 1.00 0.00 N ATOM 0 H GLN A 76 25.961 13.290 19.576 1.00 0.00 H new ATOM 0 HA GLN A 76 24.869 11.519 21.593 1.00 0.00 H new ATOM 0 HB2 GLN A 76 25.091 10.344 19.053 1.00 0.00 H new ATOM 0 HB3 GLN A 76 26.599 9.901 19.828 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.416 8.937 21.749 1.00 0.00 H new ATOM 0 HG3 GLN A 76 23.881 9.569 21.188 1.00 0.00 H new ATOM 0 HE21 GLN A 76 22.781 7.585 20.752 1.00 0.00 H new ATOM 0 HE22 GLN A 76 23.356 6.417 19.558 1.00 0.00 H new ATOM 1186 N ARG A 77 27.087 12.623 22.356 1.00 0.00 N ATOM 1187 CA ARG A 77 28.425 12.920 22.942 1.00 0.00 C ATOM 1188 C ARG A 77 28.670 12.004 24.143 1.00 0.00 C ATOM 1189 O ARG A 77 29.770 11.910 24.650 1.00 0.00 O ATOM 1190 CB ARG A 77 28.469 14.379 23.399 1.00 0.00 C ATOM 1191 CG ARG A 77 29.168 15.228 22.337 1.00 0.00 C ATOM 1192 CD ARG A 77 30.630 14.797 22.220 1.00 0.00 C ATOM 1193 NE ARG A 77 30.882 14.264 20.852 1.00 0.00 N ATOM 1194 CZ ARG A 77 31.838 13.397 20.655 1.00 0.00 C ATOM 1195 NH1 ARG A 77 32.985 13.790 20.174 1.00 0.00 N ATOM 1196 NH2 ARG A 77 31.645 12.137 20.936 1.00 0.00 N ATOM 0 H ARG A 77 26.300 13.081 22.816 1.00 0.00 H new ATOM 0 HA ARG A 77 29.196 12.750 22.191 1.00 0.00 H new ATOM 0 HB2 ARG A 77 27.457 14.749 23.567 1.00 0.00 H new ATOM 0 HB3 ARG A 77 28.999 14.457 24.348 1.00 0.00 H new ATOM 0 HG2 ARG A 77 28.666 15.113 21.376 1.00 0.00 H new ATOM 0 HG3 ARG A 77 29.109 16.283 22.603 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.287 15.644 22.419 1.00 0.00 H new ATOM 0 HD3 ARG A 77 30.857 14.035 22.966 1.00 0.00 H new ATOM 0 HE ARG A 77 30.308 14.576 20.069 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.135 14.774 19.952 1.00 0.00 H new ATOM 0 HH12 ARG A 77 33.732 13.113 20.020 1.00 0.00 H new ATOM 0 HH21 ARG A 77 30.747 11.830 21.310 1.00 0.00 H new ATOM 0 HH22 ARG A 77 32.392 11.460 20.782 1.00 0.00 H new ATOM 1210 N ILE A 78 27.651 11.330 24.606 1.00 0.00 N ATOM 1211 CA ILE A 78 27.827 10.425 25.775 1.00 0.00 C ATOM 1212 C ILE A 78 27.553 8.983 25.348 1.00 0.00 C ATOM 1213 O ILE A 78 27.275 8.774 24.178 1.00 0.00 O ATOM 1214 CB ILE A 78 26.847 10.825 26.879 1.00 0.00 C ATOM 1215 CG1 ILE A 78 25.413 10.676 26.365 1.00 0.00 C ATOM 1216 CG2 ILE A 78 27.095 12.279 27.282 1.00 0.00 C ATOM 1217 CD1 ILE A 78 24.432 10.946 27.507 1.00 0.00 C ATOM 1218 OXT ILE A 78 27.624 8.110 26.197 1.00 0.00 O ATOM 0 H ILE A 78 26.706 11.368 24.224 1.00 0.00 H new ATOM 0 HA ILE A 78 28.848 10.505 26.148 1.00 0.00 H new ATOM 0 HB ILE A 78 26.993 10.179 27.745 1.00 0.00 H new ATOM 0 HG12 ILE A 78 25.235 11.372 25.546 1.00 0.00 H new ATOM 0 HG13 ILE A 78 25.260 9.672 25.969 1.00 0.00 H new ATOM 0 HG21 ILE A 78 26.396 12.563 28.069 1.00 0.00 H new ATOM 0 HG22 ILE A 78 28.116 12.386 27.648 1.00 0.00 H new ATOM 0 HG23 ILE A 78 26.950 12.926 26.417 1.00 0.00 H new ATOM 0 HD11 ILE A 78 23.410 10.840 27.142 1.00 0.00 H new ATOM 0 HD12 ILE A 78 24.605 10.232 28.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 24.580 11.959 27.882 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -6.786 -7.978 1.485 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.470 0.341 -6.660 1.00 0.00 ZN