USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 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 5 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 21 ASN : amide:sc= 0.968 K(o=2.2,f=-4.7) USER MOD Set 1.3: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.496 (180deg=-2.35!) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.023) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.9!) USER MOD Single : A 24 GLN : amide:sc=-0.00108 K(o=-0.0011,f=-0.58) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.4!) USER MOD Single : A 35 SER OG : rot -93:sc= 0.168 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 102:sc= -4.26! USER MOD Single : A 55 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.03) USER MOD Single : A 59 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 61 TYR OH : rot 130:sc= 0.0631 USER MOD Single : A 62 THR OG1 : rot -170:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.96! C(o=-2!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.693 -13.231 -9.922 1.00 0.00 N ATOM 2 CA MET A 1 19.368 -11.907 -10.082 1.00 0.00 C ATOM 3 C MET A 1 18.424 -10.910 -10.758 1.00 0.00 C ATOM 4 O MET A 1 18.723 -10.369 -11.804 1.00 0.00 O ATOM 5 CB MET A 1 20.581 -12.183 -10.972 1.00 0.00 C ATOM 6 CG MET A 1 21.696 -12.811 -10.132 1.00 0.00 C ATOM 7 SD MET A 1 23.234 -12.824 -11.086 1.00 0.00 S ATOM 8 CE MET A 1 23.382 -11.033 -11.305 1.00 0.00 C ATOM 0 H1 MET A 1 19.304 -13.868 -9.372 1.00 0.00 H new ATOM 0 H2 MET A 1 17.790 -13.102 -9.423 1.00 0.00 H new ATOM 0 H3 MET A 1 18.515 -13.645 -10.859 1.00 0.00 H new ATOM 0 HA MET A 1 19.656 -11.474 -9.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.303 -12.852 -11.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.931 -11.256 -11.426 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.832 -12.247 -9.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.423 -13.827 -9.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.430 -10.743 -11.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.997 -10.753 -12.286 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.808 -10.523 -10.531 1.00 0.00 H new ATOM 20 N VAL A 2 17.287 -10.663 -10.169 1.00 0.00 N ATOM 21 CA VAL A 2 16.326 -9.700 -10.779 1.00 0.00 C ATOM 22 C VAL A 2 15.884 -8.662 -9.743 1.00 0.00 C ATOM 23 O VAL A 2 16.510 -8.494 -8.714 1.00 0.00 O ATOM 24 CB VAL A 2 15.139 -10.555 -11.220 1.00 0.00 C ATOM 25 CG1 VAL A 2 15.643 -11.745 -12.041 1.00 0.00 C ATOM 26 CG2 VAL A 2 14.393 -11.067 -9.986 1.00 0.00 C ATOM 0 H VAL A 2 16.981 -11.086 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 2 16.765 -9.149 -11.611 1.00 0.00 H new ATOM 0 HB VAL A 2 14.465 -9.953 -11.829 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.796 -12.355 -12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.175 -11.381 -12.920 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.318 -12.347 -11.432 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.546 -11.677 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.067 -11.669 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.033 -10.220 -9.401 1.00 0.00 H new ATOM 36 N ASP A 3 14.813 -7.964 -10.006 1.00 0.00 N ATOM 37 CA ASP A 3 14.337 -6.936 -9.034 1.00 0.00 C ATOM 38 C ASP A 3 12.883 -7.211 -8.640 1.00 0.00 C ATOM 39 O ASP A 3 12.360 -6.622 -7.714 1.00 0.00 O ATOM 40 CB ASP A 3 14.444 -5.607 -9.781 1.00 0.00 C ATOM 41 CG ASP A 3 15.575 -4.773 -9.178 1.00 0.00 C ATOM 42 OD1 ASP A 3 16.661 -5.306 -9.023 1.00 0.00 O ATOM 43 OD2 ASP A 3 15.335 -3.614 -8.881 1.00 0.00 O ATOM 0 H ASP A 3 14.247 -8.060 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 3 14.921 -6.937 -8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.635 -5.787 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.502 -5.063 -9.715 1.00 0.00 H new ATOM 48 N SER A 4 12.227 -8.098 -9.335 1.00 0.00 N ATOM 49 CA SER A 4 10.806 -8.407 -8.999 1.00 0.00 C ATOM 50 C SER A 4 10.698 -8.903 -7.554 1.00 0.00 C ATOM 51 O SER A 4 11.473 -9.727 -7.111 1.00 0.00 O ATOM 52 CB SER A 4 10.400 -9.509 -9.977 1.00 0.00 C ATOM 53 OG SER A 4 9.838 -10.598 -9.254 1.00 0.00 O ATOM 0 H SER A 4 12.612 -8.623 -10.121 1.00 0.00 H new ATOM 0 HA SER A 4 10.162 -7.531 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.677 -9.124 -10.696 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.268 -9.844 -10.545 1.00 0.00 H new ATOM 0 HG SER A 4 9.576 -11.305 -9.880 1.00 0.00 H new ATOM 59 N LYS A 5 9.741 -8.408 -6.817 1.00 0.00 N ATOM 60 CA LYS A 5 9.584 -8.851 -5.401 1.00 0.00 C ATOM 61 C LYS A 5 8.549 -9.976 -5.309 1.00 0.00 C ATOM 62 O LYS A 5 8.177 -10.405 -4.235 1.00 0.00 O ATOM 63 CB LYS A 5 9.093 -7.610 -4.654 1.00 0.00 C ATOM 64 CG LYS A 5 10.035 -7.310 -3.485 1.00 0.00 C ATOM 65 CD LYS A 5 10.695 -5.947 -3.700 1.00 0.00 C ATOM 66 CE LYS A 5 11.854 -6.091 -4.688 1.00 0.00 C ATOM 67 NZ LYS A 5 12.383 -4.711 -4.864 1.00 0.00 N ATOM 0 H LYS A 5 9.061 -7.716 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 5 10.513 -9.240 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.054 -6.757 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.080 -7.771 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.480 -7.314 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.796 -8.087 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.965 -5.234 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.059 -5.554 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.621 -6.762 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.515 -6.508 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.401 -4.753 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.887 -4.247 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.231 -4.167 -3.991 1.00 0.00 H new ATOM 81 N LYS A 6 8.081 -10.456 -6.429 1.00 0.00 N ATOM 82 CA LYS A 6 7.071 -11.552 -6.406 1.00 0.00 C ATOM 83 C LYS A 6 5.808 -11.090 -5.674 1.00 0.00 C ATOM 84 O LYS A 6 5.171 -10.135 -6.068 1.00 0.00 O ATOM 85 CB LYS A 6 7.750 -12.697 -5.655 1.00 0.00 C ATOM 86 CG LYS A 6 9.160 -12.905 -6.211 1.00 0.00 C ATOM 87 CD LYS A 6 9.569 -14.369 -6.036 1.00 0.00 C ATOM 88 CE LYS A 6 9.484 -15.089 -7.384 1.00 0.00 C ATOM 89 NZ LYS A 6 9.630 -16.534 -7.056 1.00 0.00 N ATOM 0 H LYS A 6 8.354 -10.137 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 6 6.760 -11.854 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.797 -12.470 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.167 -13.612 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.190 -12.632 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.866 -12.255 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.584 -14.429 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.917 -14.855 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.533 -14.890 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.271 -14.756 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.582 -17.095 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.547 -16.694 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.863 -16.824 -6.416 1.00 0.00 H new ATOM 103 N ARG A 7 5.426 -11.763 -4.620 1.00 0.00 N ATOM 104 CA ARG A 7 4.193 -11.347 -3.897 1.00 0.00 C ATOM 105 C ARG A 7 3.004 -11.402 -4.864 1.00 0.00 C ATOM 106 O ARG A 7 3.143 -11.882 -5.971 1.00 0.00 O ATOM 107 CB ARG A 7 4.479 -9.910 -3.457 1.00 0.00 C ATOM 108 CG ARG A 7 4.404 -9.817 -1.931 1.00 0.00 C ATOM 109 CD ARG A 7 5.597 -10.553 -1.316 1.00 0.00 C ATOM 110 NE ARG A 7 6.686 -9.540 -1.263 1.00 0.00 N ATOM 111 CZ ARG A 7 7.882 -9.887 -0.872 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.045 -10.473 0.283 1.00 0.00 N ATOM 113 NH2 ARG A 7 8.912 -9.647 -1.636 1.00 0.00 N ATOM 0 H ARG A 7 5.910 -12.574 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 7 3.947 -11.986 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.466 -9.603 -3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.757 -9.230 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.407 -8.773 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.471 -10.253 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.359 -10.929 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.886 -11.412 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 7 6.498 -8.574 -1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.238 -10.659 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.979 -10.745 0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.782 -9.189 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.847 -9.918 -1.331 1.00 0.00 H new ATOM 127 N PRO A 8 1.872 -10.897 -4.434 1.00 0.00 N ATOM 128 CA PRO A 8 0.685 -10.896 -5.312 1.00 0.00 C ATOM 129 C PRO A 8 0.910 -9.945 -6.491 1.00 0.00 C ATOM 130 O PRO A 8 0.161 -9.012 -6.705 1.00 0.00 O ATOM 131 CB PRO A 8 -0.441 -10.405 -4.406 1.00 0.00 C ATOM 132 CG PRO A 8 0.245 -9.640 -3.319 1.00 0.00 C ATOM 133 CD PRO A 8 1.594 -10.287 -3.125 1.00 0.00 C ATOM 0 HA PRO A 8 0.464 -11.872 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.141 -9.773 -4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.014 -11.239 -4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.354 -8.591 -3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.336 -9.670 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.355 -9.555 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.571 -11.033 -2.331 1.00 0.00 H new ATOM 141 N GLY A 9 1.949 -10.177 -7.253 1.00 0.00 N ATOM 142 CA GLY A 9 2.242 -9.292 -8.413 1.00 0.00 C ATOM 143 C GLY A 9 0.964 -9.069 -9.223 1.00 0.00 C ATOM 144 O GLY A 9 0.467 -7.965 -9.322 1.00 0.00 O ATOM 0 H GLY A 9 2.607 -10.945 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.635 -8.337 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.010 -9.742 -9.042 1.00 0.00 H new ATOM 148 N LYS A 10 0.426 -10.108 -9.803 1.00 0.00 N ATOM 149 CA LYS A 10 -0.823 -9.950 -10.604 1.00 0.00 C ATOM 150 C LYS A 10 -1.800 -9.020 -9.881 1.00 0.00 C ATOM 151 O LYS A 10 -1.852 -8.984 -8.668 1.00 0.00 O ATOM 152 CB LYS A 10 -1.406 -11.359 -10.711 1.00 0.00 C ATOM 153 CG LYS A 10 -2.586 -11.351 -11.686 1.00 0.00 C ATOM 154 CD LYS A 10 -2.074 -11.580 -13.110 1.00 0.00 C ATOM 155 CE LYS A 10 -2.994 -10.868 -14.104 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.079 -10.082 -14.977 1.00 0.00 N ATOM 0 H LYS A 10 0.796 -11.057 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.632 -9.512 -11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.641 -12.055 -11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.733 -11.704 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.300 -12.129 -11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.114 -10.399 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.056 -11.203 -13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.041 -12.647 -13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.577 -11.583 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.704 -10.220 -13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.636 -9.564 -15.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.542 -9.406 -14.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.419 -10.726 -15.458 1.00 0.00 H new ATOM 170 N ASP A 11 -2.567 -8.262 -10.613 1.00 0.00 N ATOM 171 CA ASP A 11 -3.531 -7.332 -9.960 1.00 0.00 C ATOM 172 C ASP A 11 -2.844 -6.593 -8.807 1.00 0.00 C ATOM 173 O ASP A 11 -1.794 -6.006 -8.976 1.00 0.00 O ATOM 174 CB ASP A 11 -4.650 -8.231 -9.436 1.00 0.00 C ATOM 175 CG ASP A 11 -5.262 -9.015 -10.597 1.00 0.00 C ATOM 176 OD1 ASP A 11 -5.429 -8.433 -11.657 1.00 0.00 O ATOM 177 OD2 ASP A 11 -5.556 -10.184 -10.408 1.00 0.00 O ATOM 0 H ASP A 11 -2.569 -8.246 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.909 -6.572 -10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.258 -8.918 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.415 -7.629 -8.947 1.00 0.00 H new ATOM 182 N LEU A 12 -3.420 -6.621 -7.635 1.00 0.00 N ATOM 183 CA LEU A 12 -2.786 -5.924 -6.479 1.00 0.00 C ATOM 184 C LEU A 12 -2.803 -4.410 -6.695 1.00 0.00 C ATOM 185 O LEU A 12 -2.482 -3.921 -7.761 1.00 0.00 O ATOM 186 CB LEU A 12 -1.352 -6.443 -6.450 1.00 0.00 C ATOM 187 CG LEU A 12 -0.973 -6.811 -5.016 1.00 0.00 C ATOM 188 CD1 LEU A 12 -0.791 -5.536 -4.194 1.00 0.00 C ATOM 189 CD2 LEU A 12 -2.080 -7.668 -4.392 1.00 0.00 C ATOM 0 H LEU A 12 -4.299 -7.095 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.312 -6.114 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.256 -7.314 -7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.671 -5.683 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.041 -7.376 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.521 -5.798 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.000 -4.929 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.723 -4.970 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.806 -7.928 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.014 -7.107 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.208 -8.579 -4.976 1.00 0.00 H new ATOM 201 N ASP A 13 -3.173 -3.662 -5.692 1.00 0.00 N ATOM 202 CA ASP A 13 -3.206 -2.179 -5.841 1.00 0.00 C ATOM 203 C ASP A 13 -1.799 -1.644 -6.091 1.00 0.00 C ATOM 204 O ASP A 13 -0.844 -2.059 -5.465 1.00 0.00 O ATOM 205 CB ASP A 13 -3.750 -1.660 -4.509 1.00 0.00 C ATOM 206 CG ASP A 13 -5.279 -1.697 -4.532 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.827 -2.776 -4.379 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.875 -0.647 -4.702 1.00 0.00 O ATOM 0 H ASP A 13 -3.454 -4.013 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.820 -1.861 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.373 -2.270 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.403 -0.642 -4.335 1.00 0.00 H new ATOM 213 N ARG A 14 -1.662 -0.730 -7.009 1.00 0.00 N ATOM 214 CA ARG A 14 -0.317 -0.174 -7.305 1.00 0.00 C ATOM 215 C ARG A 14 0.327 0.370 -6.028 1.00 0.00 C ATOM 216 O ARG A 14 1.533 0.368 -5.879 1.00 0.00 O ATOM 217 CB ARG A 14 -0.567 0.955 -8.304 1.00 0.00 C ATOM 218 CG ARG A 14 0.676 1.152 -9.172 1.00 0.00 C ATOM 219 CD ARG A 14 1.054 -0.176 -9.832 1.00 0.00 C ATOM 220 NE ARG A 14 1.844 0.206 -11.035 1.00 0.00 N ATOM 221 CZ ARG A 14 3.144 0.090 -11.027 1.00 0.00 C ATOM 222 NH1 ARG A 14 3.830 0.489 -9.990 1.00 0.00 N ATOM 223 NH2 ARG A 14 3.760 -0.427 -12.056 1.00 0.00 N ATOM 0 H ARG A 14 -2.424 -0.345 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 14 0.362 -0.928 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.427 0.717 -8.930 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.804 1.878 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.484 1.907 -9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.504 1.516 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.639 -0.800 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.167 -0.747 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 14 1.369 0.559 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.350 0.892 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.846 0.398 -9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.225 -0.740 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.776 -0.518 -12.050 1.00 0.00 H new ATOM 237 N ILE A 15 -0.469 0.830 -5.102 1.00 0.00 N ATOM 238 CA ILE A 15 0.099 1.367 -3.832 1.00 0.00 C ATOM 239 C ILE A 15 0.744 0.238 -3.027 1.00 0.00 C ATOM 240 O ILE A 15 1.621 0.462 -2.219 1.00 0.00 O ATOM 241 CB ILE A 15 -1.096 1.949 -3.080 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.860 2.904 -4.000 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.598 2.715 -1.854 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.877 3.870 -4.664 1.00 0.00 C ATOM 0 H ILE A 15 -1.486 0.857 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 15 0.872 2.115 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.757 1.142 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.400 2.339 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.603 3.460 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.449 3.132 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.050 2.037 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.061 3.523 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.422 4.550 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.357 4.444 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.151 3.305 -5.249 1.00 0.00 H new ATOM 256 N ASP A 16 0.321 -0.975 -3.247 1.00 0.00 N ATOM 257 CA ASP A 16 0.914 -2.116 -2.497 1.00 0.00 C ATOM 258 C ASP A 16 2.214 -2.571 -3.165 1.00 0.00 C ATOM 259 O ASP A 16 3.249 -2.655 -2.534 1.00 0.00 O ATOM 260 CB ASP A 16 -0.141 -3.221 -2.567 1.00 0.00 C ATOM 261 CG ASP A 16 -1.202 -2.979 -1.494 1.00 0.00 C ATOM 262 OD1 ASP A 16 -0.940 -2.194 -0.598 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.259 -3.581 -1.586 1.00 0.00 O ATOM 0 H ASP A 16 -0.409 -1.225 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 16 1.163 -1.852 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.603 -3.236 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.326 -4.195 -2.419 1.00 0.00 H new ATOM 268 N ARG A 17 2.171 -2.863 -4.436 1.00 0.00 N ATOM 269 CA ARG A 17 3.410 -3.309 -5.137 1.00 0.00 C ATOM 270 C ARG A 17 4.530 -2.304 -4.909 1.00 0.00 C ATOM 271 O ARG A 17 5.624 -2.657 -4.512 1.00 0.00 O ATOM 272 CB ARG A 17 3.033 -3.368 -6.618 1.00 0.00 C ATOM 273 CG ARG A 17 1.754 -4.190 -6.788 1.00 0.00 C ATOM 274 CD ARG A 17 1.702 -4.766 -8.205 1.00 0.00 C ATOM 275 NE ARG A 17 1.643 -3.577 -9.100 1.00 0.00 N ATOM 276 CZ ARG A 17 2.180 -3.629 -10.288 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.462 -3.438 -10.433 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.433 -3.870 -11.331 1.00 0.00 N ATOM 0 H ARG A 17 1.335 -2.813 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 17 3.767 -4.272 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.884 -2.360 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.844 -3.815 -7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.727 -4.996 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.880 -3.564 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.580 -5.376 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.830 -5.406 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 17 1.183 -2.723 -8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.045 -3.248 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.882 -3.479 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.430 -4.017 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.852 -3.911 -12.260 1.00 0.00 H new ATOM 292 N ASN A 18 4.265 -1.056 -5.134 1.00 0.00 N ATOM 293 CA ASN A 18 5.312 -0.027 -4.905 1.00 0.00 C ATOM 294 C ASN A 18 5.680 -0.005 -3.429 1.00 0.00 C ATOM 295 O ASN A 18 6.836 0.096 -3.067 1.00 0.00 O ATOM 296 CB ASN A 18 4.673 1.297 -5.323 1.00 0.00 C ATOM 297 CG ASN A 18 5.747 2.221 -5.903 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.680 2.592 -5.217 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.655 2.609 -7.144 1.00 0.00 N ATOM 0 H ASN A 18 3.369 -0.700 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 18 6.225 -0.222 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.893 1.119 -6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.196 1.770 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.366 3.224 -7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.872 2.298 -7.719 1.00 0.00 H new ATOM 306 N ILE A 19 4.708 -0.132 -2.570 1.00 0.00 N ATOM 307 CA ILE A 19 5.006 -0.154 -1.120 1.00 0.00 C ATOM 308 C ILE A 19 5.841 -1.392 -0.794 1.00 0.00 C ATOM 309 O ILE A 19 6.715 -1.359 0.048 1.00 0.00 O ATOM 310 CB ILE A 19 3.641 -0.216 -0.431 1.00 0.00 C ATOM 311 CG1 ILE A 19 3.085 1.201 -0.277 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.790 -0.855 0.949 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.684 1.136 0.336 1.00 0.00 C ATOM 0 H ILE A 19 3.722 -0.221 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 19 5.575 0.716 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 19 2.958 -0.814 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.744 1.795 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.046 1.695 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.816 -0.898 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.187 -1.865 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.473 -0.259 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.288 2.145 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.028 0.558 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.737 0.659 1.314 1.00 0.00 H new ATOM 325 N LEU A 20 5.595 -2.482 -1.476 1.00 0.00 N ATOM 326 CA LEU A 20 6.397 -3.708 -1.220 1.00 0.00 C ATOM 327 C LEU A 20 7.829 -3.490 -1.705 1.00 0.00 C ATOM 328 O LEU A 20 8.782 -3.842 -1.038 1.00 0.00 O ATOM 329 CB LEU A 20 5.717 -4.808 -2.034 1.00 0.00 C ATOM 330 CG LEU A 20 4.708 -5.546 -1.156 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.850 -6.463 -2.028 1.00 0.00 C ATOM 332 CD2 LEU A 20 5.454 -6.384 -0.116 1.00 0.00 C ATOM 0 H LEU A 20 4.877 -2.572 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 20 6.445 -3.964 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.214 -4.376 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.462 -5.506 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 20 4.069 -4.823 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.130 -6.990 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.319 -5.867 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.489 -7.187 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.735 -6.911 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.093 -7.108 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.067 -5.731 0.505 1.00 0.00 H new ATOM 344 N ASN A 21 7.989 -2.886 -2.855 1.00 0.00 N ATOM 345 CA ASN A 21 9.361 -2.620 -3.367 1.00 0.00 C ATOM 346 C ASN A 21 10.050 -1.599 -2.465 1.00 0.00 C ATOM 347 O ASN A 21 11.242 -1.658 -2.236 1.00 0.00 O ATOM 348 CB ASN A 21 9.158 -2.048 -4.770 1.00 0.00 C ATOM 349 CG ASN A 21 9.484 -3.121 -5.810 1.00 0.00 C ATOM 350 OD1 ASN A 21 10.598 -3.203 -6.288 1.00 0.00 O ATOM 351 ND2 ASN A 21 8.552 -3.956 -6.184 1.00 0.00 N ATOM 0 H ASN A 21 7.230 -2.568 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 21 9.985 -3.514 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.129 -1.710 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.799 -1.178 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.760 -4.676 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.616 -3.889 -5.784 1.00 0.00 H new ATOM 358 N GLU A 22 9.299 -0.672 -1.931 1.00 0.00 N ATOM 359 CA GLU A 22 9.899 0.341 -1.022 1.00 0.00 C ATOM 360 C GLU A 22 10.246 -0.311 0.313 1.00 0.00 C ATOM 361 O GLU A 22 11.205 0.055 0.962 1.00 0.00 O ATOM 362 CB GLU A 22 8.815 1.404 -0.842 1.00 0.00 C ATOM 363 CG GLU A 22 8.871 2.391 -2.011 1.00 0.00 C ATOM 364 CD GLU A 22 7.457 2.865 -2.348 1.00 0.00 C ATOM 365 OE1 GLU A 22 6.518 2.216 -1.917 1.00 0.00 O ATOM 366 OE2 GLU A 22 7.337 3.868 -3.032 1.00 0.00 O ATOM 0 H GLU A 22 8.296 -0.575 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 22 10.819 0.770 -1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.833 0.933 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.960 1.931 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.499 3.243 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.323 1.915 -2.881 1.00 0.00 H new ATOM 373 N LEU A 23 9.486 -1.291 0.720 1.00 0.00 N ATOM 374 CA LEU A 23 9.794 -1.982 2.000 1.00 0.00 C ATOM 375 C LEU A 23 11.093 -2.773 1.852 1.00 0.00 C ATOM 376 O LEU A 23 11.851 -2.926 2.788 1.00 0.00 O ATOM 377 CB LEU A 23 8.613 -2.921 2.235 1.00 0.00 C ATOM 378 CG LEU A 23 7.658 -2.299 3.256 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.397 -2.076 4.576 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.143 -0.961 2.729 1.00 0.00 C ATOM 0 H LEU A 23 8.668 -1.641 0.222 1.00 0.00 H new ATOM 0 HA LEU A 23 9.929 -1.291 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.089 -3.105 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.969 -3.886 2.596 1.00 0.00 H new ATOM 0 HG LEU A 23 6.816 -2.972 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.717 -1.633 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.762 -3.031 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.240 -1.405 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.463 -0.520 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.984 -0.287 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.614 -1.119 1.789 1.00 0.00 H new ATOM 392 N GLN A 24 11.360 -3.261 0.670 1.00 0.00 N ATOM 393 CA GLN A 24 12.618 -4.026 0.443 1.00 0.00 C ATOM 394 C GLN A 24 13.793 -3.060 0.285 1.00 0.00 C ATOM 395 O GLN A 24 14.855 -3.261 0.840 1.00 0.00 O ATOM 396 CB GLN A 24 12.381 -4.800 -0.855 1.00 0.00 C ATOM 397 CG GLN A 24 12.303 -6.296 -0.552 1.00 0.00 C ATOM 398 CD GLN A 24 13.644 -6.956 -0.882 1.00 0.00 C ATOM 399 OE1 GLN A 24 14.687 -6.367 -0.688 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.659 -8.164 -1.376 1.00 0.00 N ATOM 0 H GLN A 24 10.760 -3.162 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 24 12.858 -4.690 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.457 -4.465 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.188 -4.603 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.058 -6.452 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.506 -6.755 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.782 -8.659 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.547 -8.613 -1.599 1.00 0.00 H new ATOM 409 N LYS A 25 13.606 -2.002 -0.461 1.00 0.00 N ATOM 410 CA LYS A 25 14.710 -1.016 -0.643 1.00 0.00 C ATOM 411 C LYS A 25 14.915 -0.224 0.638 1.00 0.00 C ATOM 412 O LYS A 25 16.020 -0.091 1.129 1.00 0.00 O ATOM 413 CB LYS A 25 14.242 -0.097 -1.773 1.00 0.00 C ATOM 414 CG LYS A 25 14.141 -0.894 -3.074 1.00 0.00 C ATOM 415 CD LYS A 25 14.070 0.071 -4.259 1.00 0.00 C ATOM 416 CE LYS A 25 12.632 0.567 -4.429 1.00 0.00 C ATOM 417 NZ LYS A 25 12.214 0.077 -5.772 1.00 0.00 N ATOM 0 H LYS A 25 12.739 -1.780 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 25 15.660 -1.496 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.274 0.337 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.941 0.731 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.004 -1.552 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.256 -1.530 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.740 0.915 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.404 -0.428 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.983 0.174 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.580 1.654 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.237 0.377 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.845 0.472 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.268 -0.961 -5.795 1.00 0.00 H new ATOM 431 N ASP A 26 13.864 0.295 1.195 1.00 0.00 N ATOM 432 CA ASP A 26 14.005 1.066 2.453 1.00 0.00 C ATOM 433 C ASP A 26 13.141 0.442 3.551 1.00 0.00 C ATOM 434 O ASP A 26 12.134 0.992 3.950 1.00 0.00 O ATOM 435 CB ASP A 26 13.510 2.473 2.115 1.00 0.00 C ATOM 436 CG ASP A 26 14.682 3.320 1.620 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.772 3.153 2.141 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.470 4.124 0.725 1.00 0.00 O ATOM 0 H ASP A 26 12.913 0.219 0.834 1.00 0.00 H new ATOM 0 HA ASP A 26 15.031 1.074 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.735 2.423 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.061 2.933 2.995 1.00 0.00 H new ATOM 443 N GLY A 27 13.525 -0.706 4.038 1.00 0.00 N ATOM 444 CA GLY A 27 12.724 -1.368 5.105 1.00 0.00 C ATOM 445 C GLY A 27 12.624 -0.443 6.317 1.00 0.00 C ATOM 446 O GLY A 27 12.665 0.764 6.190 1.00 0.00 O ATOM 0 H GLY A 27 14.359 -1.214 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.728 -1.605 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.190 -2.311 5.392 1.00 0.00 H new ATOM 450 N ARG A 28 12.493 -1.007 7.494 1.00 0.00 N ATOM 451 CA ARG A 28 12.388 -0.173 8.735 1.00 0.00 C ATOM 452 C ARG A 28 11.777 1.198 8.424 1.00 0.00 C ATOM 453 O ARG A 28 12.195 2.208 8.954 1.00 0.00 O ATOM 454 CB ARG A 28 13.829 -0.020 9.241 1.00 0.00 C ATOM 455 CG ARG A 28 14.774 0.216 8.059 1.00 0.00 C ATOM 456 CD ARG A 28 15.129 -1.124 7.412 1.00 0.00 C ATOM 457 NE ARG A 28 16.603 -1.252 7.578 1.00 0.00 N ATOM 458 CZ ARG A 28 17.210 -2.343 7.198 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.270 -2.649 5.930 1.00 0.00 N ATOM 460 NH2 ARG A 28 17.754 -3.131 8.086 1.00 0.00 N ATOM 0 H ARG A 28 12.454 -2.014 7.650 1.00 0.00 H new ATOM 0 HA ARG A 28 11.741 -0.637 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.892 0.814 9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.130 -0.915 9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.301 0.871 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.679 0.719 8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.604 -1.948 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.847 -1.141 6.359 1.00 0.00 H new ATOM 0 HE ARG A 28 17.138 -0.487 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.842 -2.035 5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.744 -3.502 5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.704 -2.894 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.228 -3.984 7.789 1.00 0.00 H new ATOM 474 N ILE A 29 10.785 1.240 7.575 1.00 0.00 N ATOM 475 CA ILE A 29 10.147 2.546 7.242 1.00 0.00 C ATOM 476 C ILE A 29 8.704 2.566 7.732 1.00 0.00 C ATOM 477 O ILE A 29 7.928 1.672 7.455 1.00 0.00 O ATOM 478 CB ILE A 29 10.204 2.645 5.716 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.428 3.882 5.256 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.582 1.392 5.092 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.607 4.064 3.748 1.00 0.00 C ATOM 0 H ILE A 29 10.390 0.429 7.099 1.00 0.00 H new ATOM 0 HA ILE A 29 10.654 3.386 7.718 1.00 0.00 H new ATOM 0 HB ILE A 29 11.244 2.727 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.371 3.772 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.785 4.766 5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.625 1.467 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.135 0.511 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.543 1.305 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.055 4.945 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.665 4.193 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.229 3.184 3.228 1.00 0.00 H new ATOM 493 N SER A 30 8.338 3.576 8.468 1.00 0.00 N ATOM 494 CA SER A 30 6.948 3.649 8.988 1.00 0.00 C ATOM 495 C SER A 30 5.984 4.064 7.871 1.00 0.00 C ATOM 496 O SER A 30 6.371 4.689 6.903 1.00 0.00 O ATOM 497 CB SER A 30 6.991 4.715 10.082 1.00 0.00 C ATOM 498 OG SER A 30 7.293 4.099 11.328 1.00 0.00 O ATOM 0 H SER A 30 8.942 4.354 8.732 1.00 0.00 H new ATOM 0 HA SER A 30 6.598 2.689 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.743 5.467 9.843 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.032 5.231 10.141 1.00 0.00 H new ATOM 0 HG SER A 30 7.323 4.781 12.031 1.00 0.00 H new ATOM 504 N ASN A 31 4.732 3.720 7.997 1.00 0.00 N ATOM 505 CA ASN A 31 3.743 4.092 6.943 1.00 0.00 C ATOM 506 C ASN A 31 3.914 5.555 6.546 1.00 0.00 C ATOM 507 O ASN A 31 3.905 5.889 5.383 1.00 0.00 O ATOM 508 CB ASN A 31 2.376 3.870 7.590 1.00 0.00 C ATOM 509 CG ASN A 31 2.251 4.749 8.837 1.00 0.00 C ATOM 510 OD1 ASN A 31 1.768 5.862 8.764 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.671 4.294 9.986 1.00 0.00 N ATOM 0 H ASN A 31 4.350 3.197 8.785 1.00 0.00 H new ATOM 0 HA ASN A 31 3.868 3.502 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.583 4.111 6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.255 2.821 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.594 4.872 10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.076 3.360 10.047 1.00 0.00 H new ATOM 518 N VAL A 32 4.071 6.432 7.498 1.00 0.00 N ATOM 519 CA VAL A 32 4.245 7.873 7.154 1.00 0.00 C ATOM 520 C VAL A 32 5.149 8.008 5.929 1.00 0.00 C ATOM 521 O VAL A 32 4.693 8.302 4.840 1.00 0.00 O ATOM 522 CB VAL A 32 4.905 8.498 8.384 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.338 9.929 8.062 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.906 8.515 9.542 1.00 0.00 C ATOM 0 H VAL A 32 4.087 6.216 8.495 1.00 0.00 H new ATOM 0 HA VAL A 32 3.301 8.361 6.911 1.00 0.00 H new ATOM 0 HB VAL A 32 5.779 7.911 8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.808 10.373 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.049 9.917 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.465 10.519 7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.374 8.960 10.420 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.032 9.102 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.599 7.495 9.773 1.00 0.00 H new ATOM 534 N GLU A 33 6.419 7.758 6.082 1.00 0.00 N ATOM 535 CA GLU A 33 7.329 7.834 4.910 1.00 0.00 C ATOM 536 C GLU A 33 6.831 6.873 3.836 1.00 0.00 C ATOM 537 O GLU A 33 7.072 7.053 2.659 1.00 0.00 O ATOM 538 CB GLU A 33 8.697 7.398 5.436 1.00 0.00 C ATOM 539 CG GLU A 33 9.792 8.221 4.754 1.00 0.00 C ATOM 540 CD GLU A 33 10.017 9.518 5.532 1.00 0.00 C ATOM 541 OE1 GLU A 33 9.282 10.462 5.297 1.00 0.00 O ATOM 542 OE2 GLU A 33 10.922 9.545 6.351 1.00 0.00 O ATOM 0 H GLU A 33 6.863 7.505 6.965 1.00 0.00 H new ATOM 0 HA GLU A 33 7.375 8.830 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.744 7.535 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.851 6.336 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.717 7.647 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.506 8.446 3.727 1.00 0.00 H new ATOM 549 N LEU A 34 6.115 5.859 4.240 1.00 0.00 N ATOM 550 CA LEU A 34 5.570 4.885 3.260 1.00 0.00 C ATOM 551 C LEU A 34 4.349 5.481 2.557 1.00 0.00 C ATOM 552 O LEU A 34 3.890 4.978 1.554 1.00 0.00 O ATOM 553 CB LEU A 34 5.167 3.670 4.093 1.00 0.00 C ATOM 554 CG LEU A 34 5.886 2.428 3.565 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.503 1.216 4.418 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.473 2.181 2.113 1.00 0.00 C ATOM 0 H LEU A 34 5.884 5.665 5.214 1.00 0.00 H new ATOM 0 HA LEU A 34 6.292 4.626 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.422 3.833 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.088 3.526 4.046 1.00 0.00 H new ATOM 0 HG LEU A 34 6.964 2.581 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.015 0.330 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.795 1.393 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.425 1.061 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.985 1.296 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.395 2.026 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.745 3.044 1.506 1.00 0.00 H new ATOM 568 N SER A 35 3.806 6.537 3.102 1.00 0.00 N ATOM 569 CA SER A 35 2.599 7.166 2.494 1.00 0.00 C ATOM 570 C SER A 35 2.995 8.209 1.441 1.00 0.00 C ATOM 571 O SER A 35 2.406 8.290 0.383 1.00 0.00 O ATOM 572 CB SER A 35 1.891 7.841 3.659 1.00 0.00 C ATOM 573 OG SER A 35 2.531 9.077 3.948 1.00 0.00 O ATOM 0 H SER A 35 4.149 6.993 3.947 1.00 0.00 H new ATOM 0 HA SER A 35 1.971 6.434 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.843 8.010 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.912 7.194 4.536 1.00 0.00 H new ATOM 0 HG SER A 35 3.212 8.939 4.639 1.00 0.00 H new ATOM 579 N LYS A 36 3.964 9.032 1.739 1.00 0.00 N ATOM 580 CA LYS A 36 4.365 10.100 0.772 1.00 0.00 C ATOM 581 C LYS A 36 5.285 9.546 -0.326 1.00 0.00 C ATOM 582 O LYS A 36 5.157 9.893 -1.484 1.00 0.00 O ATOM 583 CB LYS A 36 5.113 11.131 1.619 1.00 0.00 C ATOM 584 CG LYS A 36 4.234 11.564 2.794 1.00 0.00 C ATOM 585 CD LYS A 36 5.046 11.503 4.090 1.00 0.00 C ATOM 586 CE LYS A 36 6.006 12.694 4.149 1.00 0.00 C ATOM 587 NZ LYS A 36 5.526 13.516 5.295 1.00 0.00 N ATOM 0 H LYS A 36 4.496 9.013 2.609 1.00 0.00 H new ATOM 0 HA LYS A 36 3.500 10.523 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.047 10.706 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.375 11.996 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.864 12.576 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.362 10.914 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.378 11.518 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.606 10.569 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.034 12.366 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.988 13.263 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.134 14.353 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.547 13.819 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.561 12.950 6.167 1.00 0.00 H new ATOM 601 N ARG A 37 6.222 8.712 0.026 1.00 0.00 N ATOM 602 CA ARG A 37 7.158 8.170 -1.002 1.00 0.00 C ATOM 603 C ARG A 37 6.391 7.378 -2.060 1.00 0.00 C ATOM 604 O ARG A 37 6.896 7.095 -3.129 1.00 0.00 O ATOM 605 CB ARG A 37 8.128 7.270 -0.222 1.00 0.00 C ATOM 606 CG ARG A 37 7.926 5.804 -0.614 1.00 0.00 C ATOM 607 CD ARG A 37 9.031 4.959 0.015 1.00 0.00 C ATOM 608 NE ARG A 37 10.251 5.268 -0.782 1.00 0.00 N ATOM 609 CZ ARG A 37 11.295 5.791 -0.199 1.00 0.00 C ATOM 610 NH1 ARG A 37 12.067 5.048 0.547 1.00 0.00 N ATOM 611 NH2 ARG A 37 11.566 7.057 -0.360 1.00 0.00 N ATOM 0 H ARG A 37 6.382 8.382 0.978 1.00 0.00 H new ATOM 0 HA ARG A 37 7.687 8.958 -1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.156 7.569 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.967 7.392 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.949 5.456 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.945 5.699 -1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.171 5.211 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.789 3.897 -0.028 1.00 0.00 H new ATOM 0 HE ARG A 37 10.270 5.071 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.854 4.059 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.883 5.457 1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.962 7.638 -0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.382 7.466 0.096 1.00 0.00 H new ATOM 625 N VAL A 38 5.181 7.024 -1.775 1.00 0.00 N ATOM 626 CA VAL A 38 4.377 6.254 -2.765 1.00 0.00 C ATOM 627 C VAL A 38 3.413 7.185 -3.495 1.00 0.00 C ATOM 628 O VAL A 38 2.986 6.916 -4.601 1.00 0.00 O ATOM 629 CB VAL A 38 3.609 5.230 -1.938 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.576 4.172 -1.404 1.00 0.00 C ATOM 631 CG2 VAL A 38 2.934 5.939 -0.769 1.00 0.00 C ATOM 0 H VAL A 38 4.705 7.232 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 38 4.998 5.780 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 38 2.856 4.747 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.025 3.441 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.064 3.670 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.330 4.650 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.382 5.213 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.691 6.418 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.246 6.694 -1.150 1.00 0.00 H new ATOM 641 N GLY A 39 3.082 8.290 -2.893 1.00 0.00 N ATOM 642 CA GLY A 39 2.162 9.258 -3.557 1.00 0.00 C ATOM 643 C GLY A 39 0.752 9.154 -2.956 1.00 0.00 C ATOM 644 O GLY A 39 -0.233 9.376 -3.631 1.00 0.00 O ATOM 0 H GLY A 39 3.408 8.568 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.542 10.272 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.124 9.057 -4.628 1.00 0.00 H new ATOM 648 N LEU A 40 0.645 8.839 -1.691 1.00 0.00 N ATOM 649 CA LEU A 40 -0.712 8.749 -1.060 1.00 0.00 C ATOM 650 C LEU A 40 -0.650 9.152 0.404 1.00 0.00 C ATOM 651 O LEU A 40 0.409 9.254 0.989 1.00 0.00 O ATOM 652 CB LEU A 40 -1.123 7.278 -1.163 1.00 0.00 C ATOM 653 CG LEU A 40 0.091 6.387 -0.946 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.298 5.204 -0.052 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.588 5.866 -2.296 1.00 0.00 C ATOM 0 H LEU A 40 1.429 8.641 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.420 9.413 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.889 7.052 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.560 7.081 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 40 0.883 6.961 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.571 4.565 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.653 5.576 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.089 4.629 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.458 5.227 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.203 5.291 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.864 6.707 -2.932 1.00 0.00 H new ATOM 667 N SER A 41 -1.782 9.333 1.018 1.00 0.00 N ATOM 668 CA SER A 41 -1.790 9.669 2.461 1.00 0.00 C ATOM 669 C SER A 41 -1.414 8.439 3.254 1.00 0.00 C ATOM 670 O SER A 41 -1.522 7.331 2.768 1.00 0.00 O ATOM 671 CB SER A 41 -3.221 10.084 2.771 1.00 0.00 C ATOM 672 OG SER A 41 -3.284 11.497 2.915 1.00 0.00 O ATOM 0 H SER A 41 -2.701 9.262 0.581 1.00 0.00 H new ATOM 0 HA SER A 41 -1.084 10.460 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.887 9.759 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.562 9.599 3.686 1.00 0.00 H new ATOM 0 HG SER A 41 -4.206 11.765 3.113 1.00 0.00 H new ATOM 678 N PRO A 42 -0.963 8.663 4.438 1.00 0.00 N ATOM 679 CA PRO A 42 -0.541 7.549 5.283 1.00 0.00 C ATOM 680 C PRO A 42 -1.752 6.782 5.812 1.00 0.00 C ATOM 681 O PRO A 42 -1.795 5.570 5.755 1.00 0.00 O ATOM 682 CB PRO A 42 0.228 8.220 6.409 1.00 0.00 C ATOM 683 CG PRO A 42 -0.316 9.615 6.476 1.00 0.00 C ATOM 684 CD PRO A 42 -0.802 9.964 5.091 1.00 0.00 C ATOM 0 HA PRO A 42 0.062 6.813 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.083 7.695 7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.299 8.224 6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.130 9.677 7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.454 10.314 6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.743 10.514 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.085 10.591 4.562 1.00 0.00 H new ATOM 692 N THR A 43 -2.746 7.469 6.310 1.00 0.00 N ATOM 693 CA THR A 43 -3.951 6.753 6.820 1.00 0.00 C ATOM 694 C THR A 43 -4.296 5.592 5.877 1.00 0.00 C ATOM 695 O THR A 43 -4.377 4.455 6.298 1.00 0.00 O ATOM 696 CB THR A 43 -5.067 7.810 6.834 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.137 8.399 8.125 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.411 7.156 6.500 1.00 0.00 C ATOM 0 H THR A 43 -2.776 8.486 6.385 1.00 0.00 H new ATOM 0 HA THR A 43 -3.802 6.323 7.810 1.00 0.00 H new ATOM 0 HB THR A 43 -4.848 8.575 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.846 9.075 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.196 7.912 6.512 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.359 6.702 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.636 6.388 7.240 1.00 0.00 H new ATOM 706 N PRO A 44 -4.460 5.918 4.621 1.00 0.00 N ATOM 707 CA PRO A 44 -4.762 4.889 3.607 1.00 0.00 C ATOM 708 C PRO A 44 -3.494 4.117 3.242 1.00 0.00 C ATOM 709 O PRO A 44 -3.521 2.914 3.080 1.00 0.00 O ATOM 710 CB PRO A 44 -5.265 5.690 2.414 1.00 0.00 C ATOM 711 CG PRO A 44 -4.653 7.053 2.570 1.00 0.00 C ATOM 712 CD PRO A 44 -4.392 7.264 4.045 1.00 0.00 C ATOM 0 HA PRO A 44 -5.486 4.150 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.964 5.228 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.354 5.745 2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.726 7.125 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.323 7.821 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.417 7.721 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.136 7.925 4.490 1.00 0.00 H new ATOM 720 N CYS A 45 -2.374 4.791 3.125 1.00 0.00 N ATOM 721 CA CYS A 45 -1.113 4.064 2.793 1.00 0.00 C ATOM 722 C CYS A 45 -1.102 2.742 3.533 1.00 0.00 C ATOM 723 O CYS A 45 -0.851 1.698 2.966 1.00 0.00 O ATOM 724 CB CYS A 45 0.019 4.960 3.286 1.00 0.00 C ATOM 725 SG CYS A 45 1.606 4.144 2.985 1.00 0.00 S ATOM 0 H CYS A 45 -2.281 5.800 3.244 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.015 3.856 1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.012 5.920 2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.101 5.165 4.350 1.00 0.00 H new ATOM 0 HG CYS A 45 2.164 4.656 1.928 1.00 0.00 H new ATOM 731 N LEU A 46 -1.438 2.772 4.786 1.00 0.00 N ATOM 732 CA LEU A 46 -1.519 1.517 5.553 1.00 0.00 C ATOM 733 C LEU A 46 -2.642 0.673 4.981 1.00 0.00 C ATOM 734 O LEU A 46 -2.453 -0.471 4.637 1.00 0.00 O ATOM 735 CB LEU A 46 -1.831 1.949 6.977 1.00 0.00 C ATOM 736 CG LEU A 46 -0.702 2.845 7.478 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.257 4.225 7.835 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.059 2.216 8.715 1.00 0.00 C ATOM 0 H LEU A 46 -1.660 3.618 5.310 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.606 0.923 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.780 2.484 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.935 1.076 7.622 1.00 0.00 H new ATOM 0 HG LEU A 46 0.048 2.951 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.447 4.861 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.709 4.675 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.010 4.123 8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.747 2.857 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.809 2.106 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.343 1.236 8.458 1.00 0.00 H new ATOM 750 N GLU A 47 -3.805 1.250 4.820 1.00 0.00 N ATOM 751 CA GLU A 47 -4.923 0.484 4.207 1.00 0.00 C ATOM 752 C GLU A 47 -4.379 -0.303 3.017 1.00 0.00 C ATOM 753 O GLU A 47 -4.717 -1.453 2.803 1.00 0.00 O ATOM 754 CB GLU A 47 -5.936 1.536 3.747 1.00 0.00 C ATOM 755 CG GLU A 47 -6.723 2.049 4.954 1.00 0.00 C ATOM 756 CD GLU A 47 -7.838 1.059 5.295 1.00 0.00 C ATOM 757 OE1 GLU A 47 -7.577 -0.133 5.255 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.933 1.508 5.589 1.00 0.00 O ATOM 0 H GLU A 47 -4.025 2.210 5.085 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.383 -0.224 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.421 2.363 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.616 1.105 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.058 2.173 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.147 3.029 4.735 1.00 0.00 H new ATOM 765 N ARG A 48 -3.491 0.301 2.269 1.00 0.00 N ATOM 766 CA ARG A 48 -2.869 -0.409 1.122 1.00 0.00 C ATOM 767 C ARG A 48 -1.946 -1.508 1.655 1.00 0.00 C ATOM 768 O ARG A 48 -2.099 -2.679 1.346 1.00 0.00 O ATOM 769 CB ARG A 48 -2.064 0.665 0.379 1.00 0.00 C ATOM 770 CG ARG A 48 -2.952 1.891 0.133 1.00 0.00 C ATOM 771 CD ARG A 48 -3.546 1.818 -1.274 1.00 0.00 C ATOM 772 NE ARG A 48 -5.014 1.976 -1.078 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.612 3.065 -1.477 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.317 3.585 -2.637 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.506 3.636 -0.714 1.00 0.00 N ATOM 0 H ARG A 48 -3.172 1.260 2.408 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.600 -0.883 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.189 0.948 0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.700 0.270 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.750 1.930 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.368 2.804 0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.146 2.605 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.311 0.868 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.552 1.233 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.619 3.140 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.785 4.436 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.736 3.230 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.974 4.487 -1.026 1.00 0.00 H new ATOM 789 N VAL A 49 -1.011 -1.143 2.490 1.00 0.00 N ATOM 790 CA VAL A 49 -0.102 -2.160 3.078 1.00 0.00 C ATOM 791 C VAL A 49 -0.931 -3.245 3.774 1.00 0.00 C ATOM 792 O VAL A 49 -0.668 -4.424 3.640 1.00 0.00 O ATOM 793 CB VAL A 49 0.760 -1.379 4.088 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.474 -1.863 5.514 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.237 -1.604 3.766 1.00 0.00 C ATOM 0 H VAL A 49 -0.840 -0.183 2.789 1.00 0.00 H new ATOM 0 HA VAL A 49 0.516 -2.664 2.335 1.00 0.00 H new ATOM 0 HB VAL A 49 0.519 -0.318 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.089 -1.303 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.579 -1.706 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.708 -2.925 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.852 -1.054 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.466 -2.667 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.447 -1.252 2.756 1.00 0.00 H new ATOM 805 N ARG A 50 -1.943 -2.853 4.502 1.00 0.00 N ATOM 806 CA ARG A 50 -2.799 -3.856 5.186 1.00 0.00 C ATOM 807 C ARG A 50 -3.141 -4.975 4.216 1.00 0.00 C ATOM 808 O ARG A 50 -2.853 -6.131 4.458 1.00 0.00 O ATOM 809 CB ARG A 50 -4.057 -3.091 5.596 1.00 0.00 C ATOM 810 CG ARG A 50 -3.685 -1.991 6.591 1.00 0.00 C ATOM 811 CD ARG A 50 -3.581 -2.586 7.994 1.00 0.00 C ATOM 812 NE ARG A 50 -3.842 -1.445 8.913 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.032 -0.910 8.969 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.350 0.059 8.155 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.902 -1.347 9.838 1.00 0.00 N ATOM 0 H ARG A 50 -2.211 -1.880 4.650 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.310 -4.312 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.533 -2.655 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.780 -3.773 6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.737 -1.535 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.436 -1.202 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.308 -3.385 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.595 -3.017 8.169 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.091 -1.081 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.669 0.398 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.279 0.477 8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.652 -2.106 10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.832 -0.930 9.883 1.00 0.00 H new ATOM 829 N ARG A 51 -3.717 -4.642 3.101 1.00 0.00 N ATOM 830 CA ARG A 51 -4.033 -5.689 2.095 1.00 0.00 C ATOM 831 C ARG A 51 -2.810 -6.585 1.912 1.00 0.00 C ATOM 832 O ARG A 51 -2.915 -7.792 1.814 1.00 0.00 O ATOM 833 CB ARG A 51 -4.358 -4.922 0.803 1.00 0.00 C ATOM 834 CG ARG A 51 -3.624 -5.557 -0.384 1.00 0.00 C ATOM 835 CD ARG A 51 -4.105 -6.998 -0.575 1.00 0.00 C ATOM 836 NE ARG A 51 -4.964 -6.959 -1.793 1.00 0.00 N ATOM 837 CZ ARG A 51 -5.899 -7.854 -1.962 1.00 0.00 C ATOM 838 NH1 ARG A 51 -7.001 -7.788 -1.265 1.00 0.00 N ATOM 839 NH2 ARG A 51 -5.734 -8.815 -2.830 1.00 0.00 N ATOM 0 H ARG A 51 -3.983 -3.692 2.841 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.865 -6.329 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.433 -4.934 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.063 -3.878 0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.808 -4.979 -1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.548 -5.542 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.265 -7.680 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.666 -7.345 0.293 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.821 -6.233 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.132 -7.037 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.731 -8.488 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.874 -8.867 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.465 -9.514 -2.962 1.00 0.00 H new ATOM 853 N LEU A 52 -1.642 -5.999 1.890 1.00 0.00 N ATOM 854 CA LEU A 52 -0.404 -6.813 1.742 1.00 0.00 C ATOM 855 C LEU A 52 -0.057 -7.481 3.076 1.00 0.00 C ATOM 856 O LEU A 52 0.686 -8.440 3.128 1.00 0.00 O ATOM 857 CB LEU A 52 0.682 -5.814 1.350 1.00 0.00 C ATOM 858 CG LEU A 52 0.580 -5.513 -0.143 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.676 -4.525 -0.537 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.754 -6.811 -0.936 1.00 0.00 C ATOM 0 H LEU A 52 -1.494 -4.993 1.968 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.514 -7.606 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.571 -4.895 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.666 -6.220 1.584 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.396 -5.080 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.605 -4.309 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.554 -3.602 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.652 -4.958 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.681 -6.598 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.731 -7.243 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.026 -7.518 -0.653 1.00 0.00 H new ATOM 872 N GLU A 53 -0.591 -6.975 4.154 1.00 0.00 N ATOM 873 CA GLU A 53 -0.298 -7.571 5.489 1.00 0.00 C ATOM 874 C GLU A 53 -1.009 -8.919 5.639 1.00 0.00 C ATOM 875 O GLU A 53 -0.388 -9.941 5.852 1.00 0.00 O ATOM 876 CB GLU A 53 -0.854 -6.562 6.495 1.00 0.00 C ATOM 877 CG GLU A 53 0.112 -6.428 7.674 1.00 0.00 C ATOM 878 CD GLU A 53 -0.442 -7.193 8.879 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.724 -8.370 8.729 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.572 -6.589 9.930 1.00 0.00 O ATOM 0 H GLU A 53 -1.220 -6.172 4.168 1.00 0.00 H new ATOM 0 HA GLU A 53 0.766 -7.757 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.994 -5.594 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.833 -6.887 6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.092 -6.819 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.248 -5.377 7.929 1.00 0.00 H new ATOM 887 N ARG A 54 -2.309 -8.927 5.536 1.00 0.00 N ATOM 888 CA ARG A 54 -3.063 -10.206 5.679 1.00 0.00 C ATOM 889 C ARG A 54 -2.576 -11.232 4.652 1.00 0.00 C ATOM 890 O ARG A 54 -2.759 -12.422 4.815 1.00 0.00 O ATOM 891 CB ARG A 54 -4.521 -9.834 5.412 1.00 0.00 C ATOM 892 CG ARG A 54 -5.039 -8.951 6.550 1.00 0.00 C ATOM 893 CD ARG A 54 -6.493 -9.317 6.859 1.00 0.00 C ATOM 894 NE ARG A 54 -7.300 -8.221 6.254 1.00 0.00 N ATOM 895 CZ ARG A 54 -8.200 -8.497 5.350 1.00 0.00 C ATOM 896 NH1 ARG A 54 -9.103 -9.408 5.586 1.00 0.00 N ATOM 897 NH2 ARG A 54 -8.198 -7.859 4.211 1.00 0.00 N ATOM 0 H ARG A 54 -2.883 -8.103 5.359 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.927 -10.656 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.605 -9.307 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.129 -10.735 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.422 -9.086 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.969 -7.900 6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.757 -10.284 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.663 -9.387 7.933 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.149 -7.255 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.106 -9.905 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.806 -9.624 4.880 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.493 -7.145 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.901 -8.075 3.504 1.00 0.00 H new ATOM 911 N GLN A 55 -1.958 -10.781 3.594 1.00 0.00 N ATOM 912 CA GLN A 55 -1.462 -11.734 2.558 1.00 0.00 C ATOM 913 C GLN A 55 -0.147 -12.374 3.011 1.00 0.00 C ATOM 914 O GLN A 55 0.502 -13.079 2.264 1.00 0.00 O ATOM 915 CB GLN A 55 -1.240 -10.880 1.310 1.00 0.00 C ATOM 916 CG GLN A 55 -2.586 -10.369 0.793 1.00 0.00 C ATOM 917 CD GLN A 55 -3.331 -11.508 0.094 1.00 0.00 C ATOM 918 OE1 GLN A 55 -2.912 -11.972 -0.949 1.00 0.00 O ATOM 919 NE2 GLN A 55 -4.425 -11.980 0.625 1.00 0.00 N ATOM 0 H GLN A 55 -1.775 -9.796 3.402 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.164 -12.548 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.586 -10.040 1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.742 -11.467 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.183 -9.984 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.431 -9.542 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.776 -11.591 1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.929 -12.738 0.165 1.00 0.00 H new ATOM 928 N GLY A 56 0.250 -12.136 4.231 1.00 0.00 N ATOM 929 CA GLY A 56 1.521 -12.733 4.732 1.00 0.00 C ATOM 930 C GLY A 56 2.700 -12.169 3.936 1.00 0.00 C ATOM 931 O GLY A 56 3.539 -12.900 3.449 1.00 0.00 O ATOM 0 H GLY A 56 -0.251 -11.554 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.646 -12.512 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.489 -13.818 4.634 1.00 0.00 H new ATOM 935 N PHE A 57 2.772 -10.873 3.801 1.00 0.00 N ATOM 936 CA PHE A 57 3.899 -10.264 3.036 1.00 0.00 C ATOM 937 C PHE A 57 4.403 -9.005 3.746 1.00 0.00 C ATOM 938 O PHE A 57 5.078 -8.181 3.161 1.00 0.00 O ATOM 939 CB PHE A 57 3.305 -9.909 1.672 1.00 0.00 C ATOM 940 CG PHE A 57 2.941 -11.176 0.936 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.821 -12.265 0.940 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.722 -11.263 0.254 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.483 -13.440 0.259 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.383 -12.439 -0.425 1.00 0.00 C ATOM 945 CZ PHE A 57 2.263 -13.528 -0.423 1.00 0.00 C ATOM 0 H PHE A 57 2.100 -10.209 4.187 1.00 0.00 H new ATOM 0 HA PHE A 57 4.750 -10.939 2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.422 -9.284 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.023 -9.331 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.760 -12.198 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.043 -10.423 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.163 -14.279 0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.442 -12.506 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.001 -14.435 -0.947 1.00 0.00 H new ATOM 955 N ILE A 58 4.078 -8.849 5.001 1.00 0.00 N ATOM 956 CA ILE A 58 4.539 -7.640 5.747 1.00 0.00 C ATOM 957 C ILE A 58 4.891 -8.009 7.188 1.00 0.00 C ATOM 958 O ILE A 58 4.889 -7.175 8.071 1.00 0.00 O ATOM 959 CB ILE A 58 3.355 -6.674 5.712 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.714 -6.690 4.321 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.849 -5.264 6.015 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.670 -6.051 3.313 1.00 0.00 C ATOM 0 H ILE A 58 3.514 -9.505 5.542 1.00 0.00 H new ATOM 0 HA ILE A 58 5.434 -7.201 5.306 1.00 0.00 H new ATOM 0 HB ILE A 58 2.619 -6.980 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.487 -7.714 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.769 -6.147 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.008 -4.571 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.308 -5.244 7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.585 -4.968 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.215 -6.062 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.874 -5.022 3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.603 -6.614 3.290 1.00 0.00 H new ATOM 974 N GLN A 59 5.211 -9.250 7.431 1.00 0.00 N ATOM 975 CA GLN A 59 5.582 -9.668 8.812 1.00 0.00 C ATOM 976 C GLN A 59 6.988 -9.168 9.147 1.00 0.00 C ATOM 977 O GLN A 59 7.475 -9.336 10.247 1.00 0.00 O ATOM 978 CB GLN A 59 5.547 -11.196 8.787 1.00 0.00 C ATOM 979 CG GLN A 59 6.416 -11.710 7.637 1.00 0.00 C ATOM 980 CD GLN A 59 7.417 -12.735 8.173 1.00 0.00 C ATOM 981 OE1 GLN A 59 7.293 -13.916 7.913 1.00 0.00 O ATOM 982 NE2 GLN A 59 8.412 -12.333 8.917 1.00 0.00 N ATOM 0 H GLN A 59 5.232 -9.993 6.732 1.00 0.00 H new ATOM 0 HA GLN A 59 4.908 -9.260 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.908 -11.594 9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.521 -11.545 8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.790 -12.164 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.945 -10.880 7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.517 -11.342 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.084 -13.010 9.279 1.00 0.00 H new ATOM 991 N GLY A 60 7.637 -8.547 8.204 1.00 0.00 N ATOM 992 CA GLY A 60 9.008 -8.021 8.455 1.00 0.00 C ATOM 993 C GLY A 60 9.131 -6.627 7.840 1.00 0.00 C ATOM 994 O GLY A 60 9.654 -5.713 8.446 1.00 0.00 O ATOM 0 H GLY A 60 7.276 -8.380 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.203 -7.978 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.752 -8.690 8.022 1.00 0.00 H new ATOM 998 N TYR A 61 8.637 -6.453 6.642 1.00 0.00 N ATOM 999 CA TYR A 61 8.707 -5.113 5.991 1.00 0.00 C ATOM 1000 C TYR A 61 8.060 -4.064 6.891 1.00 0.00 C ATOM 1001 O TYR A 61 8.591 -3.717 7.927 1.00 0.00 O ATOM 1002 CB TYR A 61 7.925 -5.274 4.689 1.00 0.00 C ATOM 1003 CG TYR A 61 8.582 -6.334 3.841 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.868 -6.123 3.329 1.00 0.00 C ATOM 1005 CD2 TYR A 61 7.908 -7.530 3.569 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.479 -7.108 2.545 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.519 -8.515 2.784 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.804 -8.304 2.272 1.00 0.00 C ATOM 1009 OH TYR A 61 10.406 -9.275 1.498 1.00 0.00 O ATOM 0 H TYR A 61 8.188 -7.182 6.087 1.00 0.00 H new ATOM 0 HA TYR A 61 9.730 -4.784 5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.893 -5.551 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.895 -4.327 4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.388 -5.200 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.916 -7.693 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.471 -6.946 2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.999 -9.438 2.574 1.00 0.00 H new ATOM 0 HH TYR A 61 10.349 -10.140 1.955 1.00 0.00 H new ATOM 1019 N THR A 62 6.912 -3.565 6.527 1.00 0.00 N ATOM 1020 CA THR A 62 6.250 -2.562 7.397 1.00 0.00 C ATOM 1021 C THR A 62 5.423 -3.270 8.455 1.00 0.00 C ATOM 1022 O THR A 62 4.486 -2.720 8.993 1.00 0.00 O ATOM 1023 CB THR A 62 5.355 -1.733 6.471 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.063 -0.488 7.090 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.046 -2.479 6.187 1.00 0.00 C ATOM 0 H THR A 62 6.410 -3.807 5.673 1.00 0.00 H new ATOM 0 HA THR A 62 6.969 -1.929 7.917 1.00 0.00 H new ATOM 0 HB THR A 62 5.878 -1.566 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.369 -0.023 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.420 -1.878 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.267 -3.432 5.707 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.519 -2.658 7.124 1.00 0.00 H new ATOM 1033 N ALA A 63 5.759 -4.493 8.751 1.00 0.00 N ATOM 1034 CA ALA A 63 4.994 -5.244 9.776 1.00 0.00 C ATOM 1035 C ALA A 63 4.600 -4.300 10.913 1.00 0.00 C ATOM 1036 O ALA A 63 3.569 -4.453 11.537 1.00 0.00 O ATOM 1037 CB ALA A 63 5.955 -6.317 10.278 1.00 0.00 C ATOM 0 H ALA A 63 6.532 -5.004 8.325 1.00 0.00 H new ATOM 0 HA ALA A 63 4.075 -5.679 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.462 -6.918 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.251 -6.958 9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.839 -5.843 10.704 1.00 0.00 H new ATOM 1043 N LEU A 64 5.408 -3.300 11.165 1.00 0.00 N ATOM 1044 CA LEU A 64 5.075 -2.321 12.234 1.00 0.00 C ATOM 1045 C LEU A 64 3.663 -1.801 12.027 1.00 0.00 C ATOM 1046 O LEU A 64 2.946 -1.506 12.962 1.00 0.00 O ATOM 1047 CB LEU A 64 6.091 -1.188 12.067 1.00 0.00 C ATOM 1048 CG LEU A 64 6.156 -0.758 10.596 1.00 0.00 C ATOM 1049 CD1 LEU A 64 5.402 0.561 10.416 1.00 0.00 C ATOM 1050 CD2 LEU A 64 7.618 -0.566 10.186 1.00 0.00 C ATOM 0 H LEU A 64 6.284 -3.123 10.673 1.00 0.00 H new ATOM 0 HA LEU A 64 5.119 -2.760 13.231 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.809 -0.340 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.074 -1.517 12.403 1.00 0.00 H new ATOM 0 HG LEU A 64 5.699 -1.527 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.448 0.867 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.361 0.428 10.710 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.859 1.329 11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.666 -0.260 9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.073 0.203 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.158 -1.504 10.315 1.00 0.00 H new ATOM 1062 N LEU A 65 3.260 -1.696 10.803 1.00 0.00 N ATOM 1063 CA LEU A 65 1.890 -1.206 10.501 1.00 0.00 C ATOM 1064 C LEU A 65 0.840 -2.117 11.157 1.00 0.00 C ATOM 1065 O LEU A 65 1.067 -3.291 11.371 1.00 0.00 O ATOM 1066 CB LEU A 65 1.790 -1.235 8.960 1.00 0.00 C ATOM 1067 CG LEU A 65 1.348 -2.625 8.450 1.00 0.00 C ATOM 1068 CD1 LEU A 65 2.165 -3.731 9.123 1.00 0.00 C ATOM 1069 CD2 LEU A 65 -0.140 -2.835 8.739 1.00 0.00 C ATOM 0 H LEU A 65 3.824 -1.930 9.986 1.00 0.00 H new ATOM 0 HA LEU A 65 1.705 -0.205 10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.078 -0.480 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.756 -0.977 8.526 1.00 0.00 H new ATOM 0 HG LEU A 65 1.519 -2.670 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.839 -4.702 8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.222 -3.592 8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.017 -3.688 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.446 -3.817 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.314 -2.774 9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.721 -2.064 8.233 1.00 0.00 H new ATOM 1081 N ASN A 66 -0.300 -1.575 11.495 1.00 0.00 N ATOM 1082 CA ASN A 66 -1.356 -2.403 12.152 1.00 0.00 C ATOM 1083 C ASN A 66 -0.823 -3.002 13.458 1.00 0.00 C ATOM 1084 O ASN A 66 0.357 -2.843 13.721 1.00 0.00 O ATOM 1085 CB ASN A 66 -1.677 -3.509 11.148 1.00 0.00 C ATOM 1086 CG ASN A 66 -2.865 -4.329 11.655 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -2.753 -5.043 12.631 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -4.006 -4.258 11.026 1.00 0.00 N ATOM 1089 OXT ASN A 66 -1.606 -3.610 14.170 1.00 0.00 O ATOM 0 H ASN A 66 -0.546 -0.597 11.345 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.239 -1.817 12.408 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.909 -3.076 10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.809 -4.153 11.011 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.804 -4.802 11.354 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.100 -3.658 10.206 1.00 0.00 H new TER 1096 ASN A 66