USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.4!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 129:sc= 0.952 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 49:sc= 0.461 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00915 X(o=-0.0091,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.1!) USER MOD Single : A 61 TYR OH : rot -66:sc= 1.95 USER MOD Single : A 64 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.072) USER MOD Single : A 65 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.0086) USER MOD Single : A 66 TYR OH : rot 105:sc= 0.672 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.494 3.819 -6.006 1.00 0.00 N ATOM 2 CA MET A 1 15.826 2.418 -5.774 1.00 0.00 C ATOM 3 C MET A 1 15.290 1.538 -6.899 1.00 0.00 C ATOM 4 O MET A 1 14.111 1.607 -7.246 1.00 0.00 O ATOM 5 CB MET A 1 15.259 1.953 -4.432 1.00 0.00 C ATOM 6 CG MET A 1 15.883 0.664 -3.922 1.00 0.00 C ATOM 7 SD MET A 1 17.542 0.911 -3.260 1.00 0.00 S ATOM 8 CE MET A 1 17.340 0.279 -1.596 1.00 0.00 C ATOM 0 H1 MET A 1 15.869 4.398 -5.228 1.00 0.00 H new ATOM 0 H2 MET A 1 15.915 4.131 -6.904 1.00 0.00 H new ATOM 0 H3 MET A 1 14.461 3.928 -6.052 1.00 0.00 H new ATOM 0 HA MET A 1 16.912 2.327 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.411 2.738 -3.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.183 1.812 -4.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.246 0.238 -3.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.924 -0.062 -4.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.284 0.364 -1.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.574 0.856 -1.078 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.039 -0.768 -1.638 1.00 0.00 H new ATOM 18 N VAL A 2 16.164 0.711 -7.465 1.00 0.00 N ATOM 19 CA VAL A 2 15.778 -0.183 -8.550 1.00 0.00 C ATOM 20 C VAL A 2 14.824 -1.265 -8.057 1.00 0.00 C ATOM 21 O VAL A 2 14.974 -1.782 -6.949 1.00 0.00 O ATOM 22 CB VAL A 2 17.008 -0.851 -9.191 1.00 0.00 C ATOM 23 CG1 VAL A 2 17.915 0.194 -9.823 1.00 0.00 C ATOM 24 CG2 VAL A 2 17.766 -1.673 -8.160 1.00 0.00 C ATOM 0 H VAL A 2 17.144 0.642 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 2 15.274 0.427 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 2 16.665 -1.523 -9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.779 -0.297 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 2 17.365 0.735 -10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.252 0.894 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.632 -2.138 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.098 -1.024 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.112 -2.447 -7.759 1.00 0.00 H new ATOM 34 N SER A 3 13.843 -1.605 -8.887 1.00 0.00 N ATOM 35 CA SER A 3 12.862 -2.625 -8.534 1.00 0.00 C ATOM 36 C SER A 3 13.232 -3.971 -9.150 1.00 0.00 C ATOM 37 O SER A 3 12.367 -4.810 -9.401 1.00 0.00 O ATOM 38 CB SER A 3 11.468 -2.204 -9.001 1.00 0.00 C ATOM 39 OG SER A 3 11.429 -2.039 -10.408 1.00 0.00 O ATOM 0 H SER A 3 13.706 -1.189 -9.808 1.00 0.00 H new ATOM 0 HA SER A 3 12.858 -2.730 -7.449 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.738 -2.955 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.185 -1.271 -8.514 1.00 0.00 H new ATOM 0 HG SER A 3 10.527 -1.772 -10.681 1.00 0.00 H new ATOM 45 N ARG A 4 14.524 -4.169 -9.390 1.00 0.00 N ATOM 46 CA ARG A 4 15.010 -5.412 -9.977 1.00 0.00 C ATOM 47 C ARG A 4 15.077 -6.519 -8.929 1.00 0.00 C ATOM 48 O ARG A 4 14.669 -7.653 -9.182 1.00 0.00 O ATOM 49 CB ARG A 4 16.391 -5.201 -10.600 1.00 0.00 C ATOM 50 CG ARG A 4 16.342 -4.702 -12.035 1.00 0.00 C ATOM 51 CD ARG A 4 15.875 -5.790 -12.988 1.00 0.00 C ATOM 52 NE ARG A 4 16.985 -6.602 -13.479 1.00 0.00 N ATOM 53 CZ ARG A 4 16.836 -7.619 -14.320 1.00 0.00 C ATOM 54 NH1 ARG A 4 15.630 -7.948 -14.762 1.00 0.00 N ATOM 55 NH2 ARG A 4 17.896 -8.310 -14.721 1.00 0.00 N ATOM 0 H ARG A 4 15.253 -3.485 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 4 14.310 -5.714 -10.756 1.00 0.00 H new ATOM 0 HB2 ARG A 4 16.948 -4.486 -9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 4 16.941 -6.141 -10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 4 15.670 -3.846 -12.101 1.00 0.00 H new ATOM 0 HG3 ARG A 4 17.331 -4.355 -12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 4 15.154 -6.431 -12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 4 15.358 -5.334 -13.833 1.00 0.00 H new ATOM 0 HE ARG A 4 17.926 -6.376 -13.158 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.813 -7.419 -14.456 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.519 -8.730 -15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 4 18.825 -8.060 -14.383 1.00 0.00 H new ATOM 0 HH22 ARG A 4 17.781 -9.091 -15.367 1.00 0.00 H new ATOM 69 N ASP A 5 15.595 -6.182 -7.753 1.00 0.00 N ATOM 70 CA ASP A 5 15.716 -7.147 -6.666 1.00 0.00 C ATOM 71 C ASP A 5 14.365 -7.784 -6.353 1.00 0.00 C ATOM 72 O ASP A 5 14.293 -8.956 -5.985 1.00 0.00 O ATOM 73 CB ASP A 5 16.277 -6.470 -5.415 1.00 0.00 C ATOM 74 CG ASP A 5 16.809 -7.469 -4.406 1.00 0.00 C ATOM 75 OD1 ASP A 5 17.618 -8.335 -4.798 1.00 0.00 O ATOM 76 OD2 ASP A 5 16.416 -7.383 -3.223 1.00 0.00 O ATOM 0 H ASP A 5 15.938 -5.248 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 5 16.403 -7.932 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 5 17.077 -5.787 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.496 -5.869 -4.950 1.00 0.00 H new ATOM 81 N GLN A 6 13.300 -7.004 -6.501 1.00 0.00 N ATOM 82 CA GLN A 6 11.953 -7.492 -6.232 1.00 0.00 C ATOM 83 C GLN A 6 11.168 -7.666 -7.528 1.00 0.00 C ATOM 84 O GLN A 6 10.600 -6.710 -8.054 1.00 0.00 O ATOM 85 CB GLN A 6 11.215 -6.528 -5.301 1.00 0.00 C ATOM 86 CG GLN A 6 10.058 -7.171 -4.553 1.00 0.00 C ATOM 87 CD GLN A 6 9.568 -6.323 -3.396 1.00 0.00 C ATOM 88 OE1 GLN A 6 10.319 -6.027 -2.466 1.00 0.00 O ATOM 89 NE2 GLN A 6 8.302 -5.926 -3.447 1.00 0.00 N ATOM 0 H GLN A 6 13.344 -6.032 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 6 12.036 -8.464 -5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.922 -6.121 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.838 -5.689 -5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.234 -7.345 -5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.370 -8.146 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.715 -6.194 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.917 -5.353 -2.697 1.00 0.00 H new ATOM 98 N ALA A 7 11.142 -8.893 -8.037 1.00 0.00 N ATOM 99 CA ALA A 7 10.426 -9.193 -9.271 1.00 0.00 C ATOM 100 C ALA A 7 8.922 -9.271 -9.028 1.00 0.00 C ATOM 101 O ALA A 7 8.128 -8.759 -9.818 1.00 0.00 O ATOM 102 CB ALA A 7 10.932 -10.496 -9.872 1.00 0.00 C ATOM 0 H ALA A 7 11.608 -9.696 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 7 10.613 -8.383 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.388 -10.707 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.996 -10.407 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.775 -11.309 -9.163 1.00 0.00 H new ATOM 108 N HIS A 8 8.537 -9.914 -7.930 1.00 0.00 N ATOM 109 CA HIS A 8 7.128 -10.058 -7.583 1.00 0.00 C ATOM 110 C HIS A 8 6.969 -10.528 -6.140 1.00 0.00 C ATOM 111 O HIS A 8 7.815 -11.252 -5.616 1.00 0.00 O ATOM 112 CB HIS A 8 6.445 -11.044 -8.531 1.00 0.00 C ATOM 113 CG HIS A 8 7.049 -12.415 -8.506 1.00 0.00 C ATOM 114 ND1 HIS A 8 6.608 -13.416 -7.666 1.00 0.00 N ATOM 115 CD2 HIS A 8 8.064 -12.949 -9.224 1.00 0.00 C ATOM 116 CE1 HIS A 8 7.327 -14.505 -7.868 1.00 0.00 C ATOM 117 NE2 HIS A 8 8.217 -14.249 -8.809 1.00 0.00 N ATOM 0 H HIS A 8 9.181 -10.343 -7.266 1.00 0.00 H new ATOM 0 HA HIS A 8 6.653 -9.082 -7.683 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.390 -11.116 -8.268 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.495 -10.652 -9.547 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.646 -12.446 -9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.207 -15.446 -7.351 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.906 -14.909 -9.169 1.00 0.00 H new ATOM 125 N LEU A 9 5.879 -10.111 -5.504 1.00 0.00 N ATOM 126 CA LEU A 9 5.609 -10.489 -4.121 1.00 0.00 C ATOM 127 C LEU A 9 4.116 -10.419 -3.819 1.00 0.00 C ATOM 128 O LEU A 9 3.325 -9.967 -4.647 1.00 0.00 O ATOM 129 CB LEU A 9 6.378 -9.577 -3.163 1.00 0.00 C ATOM 130 CG LEU A 9 7.783 -10.040 -2.777 1.00 0.00 C ATOM 131 CD1 LEU A 9 8.459 -9.009 -1.887 1.00 0.00 C ATOM 132 CD2 LEU A 9 7.726 -11.393 -2.082 1.00 0.00 C ATOM 0 H LEU A 9 5.169 -9.512 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 9 5.942 -11.517 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.455 -8.589 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.791 -9.464 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 9 8.373 -10.146 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.458 -9.356 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.533 -8.061 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.871 -8.870 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.735 -11.707 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.119 -11.313 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.283 -12.129 -2.753 1.00 0.00 H new ATOM 144 N GLY A 10 3.737 -10.869 -2.627 1.00 0.00 N ATOM 145 CA GLY A 10 2.339 -10.847 -2.236 1.00 0.00 C ATOM 146 C GLY A 10 2.038 -9.764 -1.219 1.00 0.00 C ATOM 147 O GLY A 10 2.836 -8.853 -0.997 1.00 0.00 O ATOM 0 H GLY A 10 4.372 -11.248 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.720 -10.693 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.066 -11.817 -1.821 1.00 0.00 H new ATOM 151 N PRO A 11 0.862 -9.856 -0.582 1.00 0.00 N ATOM 152 CA PRO A 11 0.430 -8.883 0.427 1.00 0.00 C ATOM 153 C PRO A 11 1.245 -8.981 1.712 1.00 0.00 C ATOM 154 O PRO A 11 2.227 -9.720 1.782 1.00 0.00 O ATOM 155 CB PRO A 11 -1.029 -9.267 0.688 1.00 0.00 C ATOM 156 CG PRO A 11 -1.110 -10.711 0.332 1.00 0.00 C ATOM 157 CD PRO A 11 -0.138 -10.915 -0.797 1.00 0.00 C ATOM 0 HA PRO A 11 0.560 -7.856 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.302 -9.100 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.710 -8.671 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.853 -11.338 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.122 -10.982 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.313 -11.907 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.624 -10.818 -1.768 1.00 0.00 H new ATOM 165 N LYS A 12 0.830 -8.232 2.728 1.00 0.00 N ATOM 166 CA LYS A 12 1.520 -8.235 4.013 1.00 0.00 C ATOM 167 C LYS A 12 0.734 -9.030 5.050 1.00 0.00 C ATOM 168 O LYS A 12 -0.439 -9.345 4.847 1.00 0.00 O ATOM 169 CB LYS A 12 1.730 -6.801 4.505 1.00 0.00 C ATOM 170 CG LYS A 12 3.155 -6.302 4.335 1.00 0.00 C ATOM 171 CD LYS A 12 3.566 -6.276 2.873 1.00 0.00 C ATOM 172 CE LYS A 12 2.687 -5.334 2.064 1.00 0.00 C ATOM 173 NZ LYS A 12 3.152 -5.214 0.655 1.00 0.00 N ATOM 0 H LYS A 12 0.019 -7.615 2.687 1.00 0.00 H new ATOM 0 HA LYS A 12 2.491 -8.711 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.055 -6.138 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.457 -6.744 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.244 -5.301 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.836 -6.944 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.607 -5.963 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.502 -7.282 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.659 -5.696 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.685 -4.349 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.527 -4.564 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.124 -4.845 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.130 -6.150 0.201 1.00 0.00 H new ATOM 187 N TYR A 13 1.387 -9.349 6.162 1.00 0.00 N ATOM 188 CA TYR A 13 0.749 -10.108 7.231 1.00 0.00 C ATOM 189 C TYR A 13 0.742 -9.315 8.534 1.00 0.00 C ATOM 190 O TYR A 13 1.741 -8.696 8.903 1.00 0.00 O ATOM 191 CB TYR A 13 1.468 -11.443 7.438 1.00 0.00 C ATOM 192 CG TYR A 13 1.174 -12.462 6.360 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.499 -12.212 5.033 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.569 -13.674 6.670 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.232 -13.140 4.045 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.300 -14.609 5.689 1.00 0.00 C ATOM 197 CZ TYR A 13 0.632 -14.337 4.378 1.00 0.00 C ATOM 198 OH TYR A 13 0.364 -15.265 3.398 1.00 0.00 O ATOM 0 H TYR A 13 2.357 -9.094 6.347 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.283 -10.300 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.543 -11.265 7.475 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.179 -11.856 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.969 -11.276 4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.305 -13.889 7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.491 -12.930 3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.168 -15.548 5.947 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.059 -16.053 3.800 1.00 0.00 H new ATOM 208 N VAL A 14 -0.391 -9.338 9.228 1.00 0.00 N ATOM 209 CA VAL A 14 -0.529 -8.623 10.491 1.00 0.00 C ATOM 210 C VAL A 14 -1.303 -9.451 11.511 1.00 0.00 C ATOM 211 O VAL A 14 -2.176 -10.240 11.151 1.00 0.00 O ATOM 212 CB VAL A 14 -1.243 -7.272 10.296 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.751 -7.467 10.244 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.861 -6.303 11.404 1.00 0.00 C ATOM 0 H VAL A 14 -1.227 -9.844 8.937 1.00 0.00 H new ATOM 0 HA VAL A 14 0.479 -8.443 10.864 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.923 -6.846 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.238 -6.502 10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.004 -8.124 9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.092 -7.915 11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.374 -5.354 11.250 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.151 -6.720 12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.217 -6.139 11.389 1.00 0.00 H new ATOM 224 N GLY A 15 -0.976 -9.266 12.786 1.00 0.00 N ATOM 225 CA GLY A 15 -1.650 -10.004 13.839 1.00 0.00 C ATOM 226 C GLY A 15 -0.767 -10.220 15.052 1.00 0.00 C ATOM 227 O GLY A 15 -0.792 -11.288 15.665 1.00 0.00 O ATOM 0 H GLY A 15 -0.257 -8.619 13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.548 -9.464 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.973 -10.970 13.452 1.00 0.00 H new ATOM 231 N LEU A 16 0.018 -9.206 15.399 1.00 0.00 N ATOM 232 CA LEU A 16 0.915 -9.291 16.546 1.00 0.00 C ATOM 233 C LEU A 16 0.467 -8.348 17.658 1.00 0.00 C ATOM 234 O LEU A 16 1.138 -7.359 17.954 1.00 0.00 O ATOM 235 CB LEU A 16 2.347 -8.957 16.124 1.00 0.00 C ATOM 236 CG LEU A 16 3.452 -9.769 16.800 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.272 -11.253 16.519 1.00 0.00 C ATOM 238 CD2 LEU A 16 4.822 -9.299 16.333 1.00 0.00 C ATOM 0 H LEU A 16 0.051 -8.316 14.903 1.00 0.00 H new ATOM 0 HA LEU A 16 0.884 -10.312 16.926 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.429 -9.096 15.046 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.526 -7.900 16.323 1.00 0.00 H new ATOM 0 HG LEU A 16 3.384 -9.613 17.877 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.068 -11.815 17.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.306 -11.582 16.903 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.313 -11.427 15.444 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.596 -9.888 16.825 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.901 -9.425 15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.951 -8.247 16.586 1.00 0.00 H new ATOM 250 N TRP A 17 -0.668 -8.661 18.271 1.00 0.00 N ATOM 251 CA TRP A 17 -1.204 -7.842 19.353 1.00 0.00 C ATOM 252 C TRP A 17 -0.105 -7.446 20.332 1.00 0.00 C ATOM 253 O TRP A 17 0.945 -8.087 20.393 1.00 0.00 O ATOM 254 CB TRP A 17 -2.313 -8.596 20.089 1.00 0.00 C ATOM 255 CG TRP A 17 -3.682 -8.320 19.545 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.031 -8.190 18.231 1.00 0.00 C ATOM 257 CD2 TRP A 17 -4.884 -8.137 20.301 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.377 -7.938 18.124 1.00 0.00 N ATOM 259 CE2 TRP A 17 -5.924 -7.901 19.380 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.184 -8.151 21.665 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.238 -7.681 19.782 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.489 -7.932 22.063 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.503 -7.701 21.124 1.00 0.00 C ATOM 0 H TRP A 17 -1.236 -9.476 18.038 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.620 -6.934 18.916 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.116 -9.666 20.030 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.288 -8.325 21.144 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.349 -8.273 17.398 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.887 -7.801 17.251 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.409 -8.330 22.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.021 -7.501 19.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.731 -7.939 23.115 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.514 -7.535 21.466 1.00 0.00 H new ATOM 274 N ASP A 18 -0.352 -6.388 21.096 1.00 0.00 N ATOM 275 CA ASP A 18 0.617 -5.908 22.074 1.00 0.00 C ATOM 276 C ASP A 18 1.146 -7.058 22.924 1.00 0.00 C ATOM 277 O ASP A 18 0.479 -7.516 23.852 1.00 0.00 O ATOM 278 CB ASP A 18 -0.016 -4.843 22.970 1.00 0.00 C ATOM 279 CG ASP A 18 -1.448 -5.173 23.339 1.00 0.00 C ATOM 280 OD1 ASP A 18 -2.359 -4.812 22.565 1.00 0.00 O ATOM 281 OD2 ASP A 18 -1.660 -5.793 24.403 1.00 0.00 O ATOM 0 H ASP A 18 -1.215 -5.846 21.057 1.00 0.00 H new ATOM 0 HA ASP A 18 1.454 -5.466 21.533 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.576 -4.739 23.880 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.012 -3.880 22.460 1.00 0.00 H new ATOM 286 N PHE A 19 2.349 -7.521 22.602 1.00 0.00 N ATOM 287 CA PHE A 19 2.967 -8.620 23.335 1.00 0.00 C ATOM 288 C PHE A 19 4.487 -8.485 23.337 1.00 0.00 C ATOM 289 O PHE A 19 5.123 -8.476 22.283 1.00 0.00 O ATOM 290 CB PHE A 19 2.564 -9.962 22.721 1.00 0.00 C ATOM 291 CG PHE A 19 2.775 -11.130 23.641 1.00 0.00 C ATOM 292 CD1 PHE A 19 4.055 -11.550 23.967 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.695 -11.808 24.182 1.00 0.00 C ATOM 294 CE1 PHE A 19 4.252 -12.625 24.812 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.886 -12.883 25.029 1.00 0.00 C ATOM 296 CZ PHE A 19 3.166 -13.291 25.345 1.00 0.00 C ATOM 0 H PHE A 19 2.916 -7.152 21.838 1.00 0.00 H new ATOM 0 HA PHE A 19 2.614 -8.580 24.366 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.513 -9.920 22.435 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.137 -10.121 21.808 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.908 -11.031 23.556 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.691 -11.493 23.939 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.255 -12.944 25.056 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.035 -13.403 25.443 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.318 -14.130 26.008 1.00 0.00 H new ATOM 306 N LYS A 20 5.064 -8.380 24.529 1.00 0.00 N ATOM 307 CA LYS A 20 6.509 -8.246 24.672 1.00 0.00 C ATOM 308 C LYS A 20 7.081 -9.383 25.512 1.00 0.00 C ATOM 309 O LYS A 20 6.909 -9.414 26.731 1.00 0.00 O ATOM 310 CB LYS A 20 6.857 -6.900 25.311 1.00 0.00 C ATOM 311 CG LYS A 20 6.630 -5.713 24.392 1.00 0.00 C ATOM 312 CD LYS A 20 5.216 -5.172 24.518 1.00 0.00 C ATOM 313 CE LYS A 20 4.881 -4.216 23.383 1.00 0.00 C ATOM 314 NZ LYS A 20 5.304 -2.822 23.689 1.00 0.00 N ATOM 0 H LYS A 20 4.552 -8.385 25.411 1.00 0.00 H new ATOM 0 HA LYS A 20 6.953 -8.294 23.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.259 -6.770 26.213 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.902 -6.914 25.621 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.344 -4.925 24.631 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.816 -6.010 23.360 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.507 -6.000 24.519 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.106 -4.658 25.473 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.371 -4.552 22.469 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.807 -4.237 23.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.058 -2.202 22.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.818 -2.492 24.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.332 -2.797 23.843 1.00 0.00 H new ATOM 328 N SER A 21 7.763 -10.315 24.854 1.00 0.00 N ATOM 329 CA SER A 21 8.358 -11.455 25.541 1.00 0.00 C ATOM 330 C SER A 21 9.837 -11.208 25.823 1.00 0.00 C ATOM 331 O SER A 21 10.335 -10.096 25.651 1.00 0.00 O ATOM 332 CB SER A 21 8.192 -12.725 24.704 1.00 0.00 C ATOM 333 OG SER A 21 7.869 -13.836 25.522 1.00 0.00 O ATOM 0 H SER A 21 7.917 -10.303 23.846 1.00 0.00 H new ATOM 0 HA SER A 21 7.841 -11.585 26.492 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.408 -12.575 23.962 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.113 -12.927 24.158 1.00 0.00 H new ATOM 0 HG SER A 21 7.077 -14.287 25.163 1.00 0.00 H new ATOM 339 N ARG A 22 10.532 -12.254 26.257 1.00 0.00 N ATOM 340 CA ARG A 22 11.954 -12.151 26.564 1.00 0.00 C ATOM 341 C ARG A 22 12.725 -13.326 25.969 1.00 0.00 C ATOM 342 O ARG A 22 13.778 -13.713 26.476 1.00 0.00 O ATOM 343 CB ARG A 22 12.168 -12.102 28.078 1.00 0.00 C ATOM 344 CG ARG A 22 11.935 -13.436 28.770 1.00 0.00 C ATOM 345 CD ARG A 22 10.890 -13.319 29.869 1.00 0.00 C ATOM 346 NE ARG A 22 11.449 -12.764 31.099 1.00 0.00 N ATOM 347 CZ ARG A 22 10.709 -12.358 32.124 1.00 0.00 C ATOM 348 NH1 ARG A 22 9.387 -12.444 32.067 1.00 0.00 N ATOM 349 NH2 ARG A 22 11.290 -11.865 33.210 1.00 0.00 N ATOM 0 H ARG A 22 10.134 -13.182 26.404 1.00 0.00 H new ATOM 0 HA ARG A 22 12.330 -11.229 26.120 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.186 -11.769 28.282 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.497 -11.358 28.507 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.613 -14.176 28.037 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.872 -13.795 29.195 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.072 -12.687 29.525 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.468 -14.303 30.074 1.00 0.00 H new ATOM 0 HE ARG A 22 12.463 -12.684 31.175 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.936 -12.823 31.234 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.821 -12.131 32.856 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.307 -11.797 33.258 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.720 -11.554 33.997 1.00 0.00 H new ATOM 363 N THR A 23 12.193 -13.891 24.890 1.00 0.00 N ATOM 364 CA THR A 23 12.829 -15.022 24.226 1.00 0.00 C ATOM 365 C THR A 23 12.592 -14.980 22.721 1.00 0.00 C ATOM 366 O THR A 23 11.601 -14.419 22.254 1.00 0.00 O ATOM 367 CB THR A 23 12.310 -16.362 24.779 1.00 0.00 C ATOM 368 OG1 THR A 23 11.036 -16.173 25.406 1.00 0.00 O ATOM 369 CG2 THR A 23 13.291 -16.951 25.781 1.00 0.00 C ATOM 0 H THR A 23 11.322 -13.583 24.457 1.00 0.00 H new ATOM 0 HA THR A 23 13.898 -14.945 24.425 1.00 0.00 H new ATOM 0 HB THR A 23 12.205 -17.057 23.946 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.712 -17.030 25.754 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.902 -17.897 26.158 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.251 -17.121 25.293 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.424 -16.257 26.611 1.00 0.00 H new ATOM 377 N ASP A 24 13.508 -15.577 21.966 1.00 0.00 N ATOM 378 CA ASP A 24 13.398 -15.610 20.512 1.00 0.00 C ATOM 379 C ASP A 24 12.113 -16.310 20.080 1.00 0.00 C ATOM 380 O ASP A 24 11.561 -16.015 19.021 1.00 0.00 O ATOM 381 CB ASP A 24 14.609 -16.319 19.904 1.00 0.00 C ATOM 382 CG ASP A 24 15.842 -15.437 19.877 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.915 -14.544 19.006 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.734 -15.640 20.727 1.00 0.00 O ATOM 0 H ASP A 24 14.335 -16.045 22.337 1.00 0.00 H new ATOM 0 HA ASP A 24 13.369 -14.582 20.151 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.824 -17.221 20.477 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.370 -16.635 18.889 1.00 0.00 H new ATOM 389 N GLU A 25 11.645 -17.240 20.908 1.00 0.00 N ATOM 390 CA GLU A 25 10.426 -17.983 20.609 1.00 0.00 C ATOM 391 C GLU A 25 9.245 -17.036 20.415 1.00 0.00 C ATOM 392 O GLU A 25 8.262 -17.381 19.761 1.00 0.00 O ATOM 393 CB GLU A 25 10.120 -18.976 21.732 1.00 0.00 C ATOM 394 CG GLU A 25 9.506 -18.331 22.964 1.00 0.00 C ATOM 395 CD GLU A 25 9.350 -19.304 24.116 1.00 0.00 C ATOM 396 OE1 GLU A 25 10.053 -20.336 24.121 1.00 0.00 O ATOM 397 OE2 GLU A 25 8.523 -19.034 25.012 1.00 0.00 O ATOM 0 H GLU A 25 12.091 -17.496 21.789 1.00 0.00 H new ATOM 0 HA GLU A 25 10.584 -18.533 19.681 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.440 -19.740 21.355 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.041 -19.483 22.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.130 -17.495 23.281 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.530 -17.920 22.706 1.00 0.00 H new ATOM 404 N GLU A 26 9.351 -15.842 20.990 1.00 0.00 N ATOM 405 CA GLU A 26 8.291 -14.847 20.882 1.00 0.00 C ATOM 406 C GLU A 26 8.847 -13.512 20.394 1.00 0.00 C ATOM 407 O GLU A 26 10.038 -13.232 20.537 1.00 0.00 O ATOM 408 CB GLU A 26 7.596 -14.660 22.233 1.00 0.00 C ATOM 409 CG GLU A 26 6.547 -15.718 22.529 1.00 0.00 C ATOM 410 CD GLU A 26 5.422 -15.195 23.401 1.00 0.00 C ATOM 411 OE1 GLU A 26 5.563 -15.236 24.640 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.399 -14.745 22.842 1.00 0.00 O ATOM 0 H GLU A 26 10.159 -15.541 21.535 1.00 0.00 H new ATOM 0 HA GLU A 26 7.563 -15.206 20.155 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.347 -14.674 23.023 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.125 -13.677 22.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.133 -16.087 21.590 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.021 -16.566 23.023 1.00 0.00 H new ATOM 419 N LEU A 27 7.976 -12.691 19.818 1.00 0.00 N ATOM 420 CA LEU A 27 8.378 -11.384 19.308 1.00 0.00 C ATOM 421 C LEU A 27 7.970 -10.275 20.272 1.00 0.00 C ATOM 422 O LEU A 27 6.972 -10.391 20.982 1.00 0.00 O ATOM 423 CB LEU A 27 7.753 -11.137 17.934 1.00 0.00 C ATOM 424 CG LEU A 27 8.446 -11.812 16.750 1.00 0.00 C ATOM 425 CD1 LEU A 27 7.655 -13.027 16.291 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.627 -10.827 15.605 1.00 0.00 C ATOM 0 H LEU A 27 6.987 -12.907 19.692 1.00 0.00 H new ATOM 0 HA LEU A 27 9.464 -11.376 19.213 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.717 -11.474 17.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.734 -10.062 17.754 1.00 0.00 H new ATOM 0 HG LEU A 27 9.432 -12.147 17.073 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.163 -13.495 15.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.578 -13.742 17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.656 -12.717 15.986 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.122 -11.325 14.771 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.652 -10.461 15.282 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.237 -9.988 15.940 1.00 0.00 H new ATOM 438 N SER A 28 8.749 -9.198 20.289 1.00 0.00 N ATOM 439 CA SER A 28 8.470 -8.067 21.167 1.00 0.00 C ATOM 440 C SER A 28 8.047 -6.844 20.359 1.00 0.00 C ATOM 441 O SER A 28 8.861 -5.967 20.066 1.00 0.00 O ATOM 442 CB SER A 28 9.701 -7.734 22.012 1.00 0.00 C ATOM 443 OG SER A 28 10.837 -7.512 21.193 1.00 0.00 O ATOM 0 H SER A 28 9.578 -9.085 19.705 1.00 0.00 H new ATOM 0 HA SER A 28 7.649 -8.346 21.828 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.504 -6.847 22.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.902 -8.551 22.705 1.00 0.00 H new ATOM 0 HG SER A 28 10.605 -6.888 20.474 1.00 0.00 H new ATOM 449 N PHE A 29 6.768 -6.791 20.003 1.00 0.00 N ATOM 450 CA PHE A 29 6.235 -5.677 19.228 1.00 0.00 C ATOM 451 C PHE A 29 4.718 -5.592 19.369 1.00 0.00 C ATOM 452 O PHE A 29 4.071 -6.542 19.809 1.00 0.00 O ATOM 453 CB PHE A 29 6.614 -5.826 17.753 1.00 0.00 C ATOM 454 CG PHE A 29 7.172 -4.571 17.147 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.456 -4.150 17.453 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.413 -3.812 16.271 1.00 0.00 C ATOM 457 CE1 PHE A 29 8.972 -2.994 16.897 1.00 0.00 C ATOM 458 CE2 PHE A 29 6.924 -2.655 15.712 1.00 0.00 C ATOM 459 CZ PHE A 29 8.206 -2.247 16.025 1.00 0.00 C ATOM 0 H PHE A 29 6.081 -7.507 20.239 1.00 0.00 H new ATOM 0 HA PHE A 29 6.670 -4.756 19.616 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.349 -6.625 17.654 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.733 -6.131 17.189 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.061 -4.731 18.133 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.411 -4.128 16.022 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.974 -2.676 17.145 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.322 -2.071 15.032 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.608 -1.345 15.588 1.00 0.00 H new ATOM 469 N ARG A 30 4.158 -4.446 18.994 1.00 0.00 N ATOM 470 CA ARG A 30 2.718 -4.236 19.080 1.00 0.00 C ATOM 471 C ARG A 30 2.039 -4.576 17.757 1.00 0.00 C ATOM 472 O ARG A 30 2.702 -4.763 16.738 1.00 0.00 O ATOM 473 CB ARG A 30 2.416 -2.786 19.463 1.00 0.00 C ATOM 474 CG ARG A 30 2.674 -1.793 18.342 1.00 0.00 C ATOM 475 CD ARG A 30 2.396 -0.365 18.787 1.00 0.00 C ATOM 476 NE ARG A 30 3.513 0.200 19.540 1.00 0.00 N ATOM 477 CZ ARG A 30 3.585 1.477 19.899 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.610 2.316 19.576 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.633 1.916 20.584 1.00 0.00 N ATOM 0 H ARG A 30 4.680 -3.649 18.628 1.00 0.00 H new ATOM 0 HA ARG A 30 2.324 -4.898 19.851 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.373 -2.710 19.771 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.024 -2.513 20.326 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.709 -1.877 18.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.045 -2.037 17.486 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.197 0.255 17.913 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.497 -0.346 19.403 1.00 0.00 H new ATOM 0 HE ARG A 30 4.279 -0.419 19.804 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.802 1.981 19.051 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.668 3.296 19.853 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.384 1.273 20.835 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.688 2.897 20.859 1.00 0.00 H new ATOM 493 N ALA A 31 0.712 -4.655 17.783 1.00 0.00 N ATOM 494 CA ALA A 31 -0.057 -4.971 16.586 1.00 0.00 C ATOM 495 C ALA A 31 0.013 -3.834 15.572 1.00 0.00 C ATOM 496 O ALA A 31 0.505 -2.748 15.876 1.00 0.00 O ATOM 497 CB ALA A 31 -1.504 -5.267 16.951 1.00 0.00 C ATOM 0 H ALA A 31 0.148 -4.505 18.620 1.00 0.00 H new ATOM 0 HA ALA A 31 0.379 -5.859 16.128 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.067 -5.501 16.047 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.541 -6.117 17.632 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.943 -4.395 17.436 1.00 0.00 H new ATOM 503 N GLY A 32 -0.483 -4.091 14.366 1.00 0.00 N ATOM 504 CA GLY A 32 -0.467 -3.079 13.325 1.00 0.00 C ATOM 505 C GLY A 32 0.763 -3.173 12.445 1.00 0.00 C ATOM 506 O GLY A 32 0.745 -2.738 11.293 1.00 0.00 O ATOM 0 H GLY A 32 -0.896 -4.982 14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.360 -3.182 12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.508 -2.091 13.783 1.00 0.00 H new ATOM 510 N ASP A 33 1.835 -3.741 12.986 1.00 0.00 N ATOM 511 CA ASP A 33 3.080 -3.891 12.242 1.00 0.00 C ATOM 512 C ASP A 33 2.965 -5.009 11.210 1.00 0.00 C ATOM 513 O ASP A 33 2.290 -6.012 11.439 1.00 0.00 O ATOM 514 CB ASP A 33 4.239 -4.179 13.198 1.00 0.00 C ATOM 515 CG ASP A 33 5.592 -3.963 12.548 1.00 0.00 C ATOM 516 OD1 ASP A 33 5.972 -4.780 11.684 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.271 -2.977 12.905 1.00 0.00 O ATOM 0 H ASP A 33 1.867 -4.105 13.938 1.00 0.00 H new ATOM 0 HA ASP A 33 3.276 -2.956 11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.153 -3.535 14.073 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.168 -5.208 13.551 1.00 0.00 H new ATOM 522 N VAL A 34 3.629 -4.827 10.073 1.00 0.00 N ATOM 523 CA VAL A 34 3.602 -5.820 9.005 1.00 0.00 C ATOM 524 C VAL A 34 4.751 -6.812 9.148 1.00 0.00 C ATOM 525 O VAL A 34 5.781 -6.503 9.747 1.00 0.00 O ATOM 526 CB VAL A 34 3.681 -5.155 7.618 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.522 -4.189 7.422 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.014 -4.444 7.444 1.00 0.00 C ATOM 0 H VAL A 34 4.192 -4.002 9.868 1.00 0.00 H new ATOM 0 HA VAL A 34 2.654 -6.352 9.091 1.00 0.00 H new ATOM 0 HB VAL A 34 3.607 -5.932 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.595 -3.729 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.579 -4.731 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.560 -3.414 8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.053 -3.980 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.120 -3.677 8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.826 -5.165 7.538 1.00 0.00 H new ATOM 538 N PHE A 35 4.568 -8.005 8.592 1.00 0.00 N ATOM 539 CA PHE A 35 5.590 -9.043 8.657 1.00 0.00 C ATOM 540 C PHE A 35 5.598 -9.879 7.380 1.00 0.00 C ATOM 541 O PHE A 35 4.657 -9.831 6.587 1.00 0.00 O ATOM 542 CB PHE A 35 5.352 -9.947 9.869 1.00 0.00 C ATOM 543 CG PHE A 35 4.966 -9.195 11.110 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.921 -8.521 11.854 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.647 -9.161 11.534 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.569 -7.828 12.997 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.289 -8.469 12.675 1.00 0.00 C ATOM 548 CZ PHE A 35 4.251 -7.803 13.408 1.00 0.00 C ATOM 0 H PHE A 35 3.722 -8.277 8.092 1.00 0.00 H new ATOM 0 HA PHE A 35 6.560 -8.557 8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.567 -10.664 9.629 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.257 -10.521 10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.953 -8.537 11.537 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.890 -9.681 10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.324 -7.307 13.568 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.257 -8.449 12.993 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.973 -7.263 14.301 1.00 0.00 H new ATOM 558 N HIS A 36 6.668 -10.643 7.187 1.00 0.00 N ATOM 559 CA HIS A 36 6.800 -11.490 6.007 1.00 0.00 C ATOM 560 C HIS A 36 7.191 -12.912 6.399 1.00 0.00 C ATOM 561 O HIS A 36 8.103 -13.118 7.199 1.00 0.00 O ATOM 562 CB HIS A 36 7.841 -10.908 5.050 1.00 0.00 C ATOM 563 CG HIS A 36 7.957 -11.662 3.761 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.931 -12.610 3.528 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.214 -11.603 2.631 1.00 0.00 C ATOM 566 CE1 HIS A 36 8.782 -13.102 2.311 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.746 -12.508 1.746 1.00 0.00 N ATOM 0 H HIS A 36 7.456 -10.693 7.832 1.00 0.00 H new ATOM 0 HA HIS A 36 5.833 -11.524 5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.584 -9.871 4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.812 -10.899 5.545 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.361 -10.963 2.458 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.401 -13.860 1.856 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.398 -12.692 0.805 1.00 0.00 H new ATOM 575 N VAL A 37 6.493 -13.890 5.830 1.00 0.00 N ATOM 576 CA VAL A 37 6.767 -15.293 6.120 1.00 0.00 C ATOM 577 C VAL A 37 8.023 -15.768 5.398 1.00 0.00 C ATOM 578 O VAL A 37 8.219 -15.482 4.218 1.00 0.00 O ATOM 579 CB VAL A 37 5.584 -16.191 5.714 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.371 -15.905 6.586 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.250 -15.998 4.242 1.00 0.00 C ATOM 0 H VAL A 37 5.734 -13.737 5.166 1.00 0.00 H new ATOM 0 HA VAL A 37 6.919 -15.370 7.197 1.00 0.00 H new ATOM 0 HB VAL A 37 5.872 -17.231 5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.545 -16.549 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.619 -16.099 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.078 -14.862 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.412 -16.640 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.982 -14.957 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.117 -16.259 3.635 1.00 0.00 H new ATOM 591 N ALA A 38 8.872 -16.496 6.117 1.00 0.00 N ATOM 592 CA ALA A 38 10.108 -17.014 5.544 1.00 0.00 C ATOM 593 C ALA A 38 10.103 -18.538 5.514 1.00 0.00 C ATOM 594 O ALA A 38 10.788 -19.155 4.698 1.00 0.00 O ATOM 595 CB ALA A 38 11.308 -16.503 6.329 1.00 0.00 C ATOM 0 H ALA A 38 8.726 -16.740 7.097 1.00 0.00 H new ATOM 0 HA ALA A 38 10.181 -16.657 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.225 -16.898 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.329 -15.414 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.231 -16.831 7.366 1.00 0.00 H new ATOM 601 N ARG A 39 9.328 -19.140 6.410 1.00 0.00 N ATOM 602 CA ARG A 39 9.236 -20.593 6.487 1.00 0.00 C ATOM 603 C ARG A 39 7.928 -21.021 7.147 1.00 0.00 C ATOM 604 O ARG A 39 7.610 -20.593 8.256 1.00 0.00 O ATOM 605 CB ARG A 39 10.422 -21.160 7.269 1.00 0.00 C ATOM 606 CG ARG A 39 10.653 -22.644 7.035 1.00 0.00 C ATOM 607 CD ARG A 39 11.275 -22.903 5.671 1.00 0.00 C ATOM 608 NE ARG A 39 11.369 -24.330 5.374 1.00 0.00 N ATOM 609 CZ ARG A 39 11.530 -24.816 4.149 1.00 0.00 C ATOM 610 NH1 ARG A 39 11.615 -23.995 3.112 1.00 0.00 N ATOM 611 NH2 ARG A 39 11.606 -26.128 3.959 1.00 0.00 N ATOM 0 H ARG A 39 8.755 -18.644 7.093 1.00 0.00 H new ATOM 0 HA ARG A 39 9.257 -20.987 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.323 -20.613 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.259 -20.990 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.305 -23.039 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.705 -23.177 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.680 -22.411 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.270 -22.459 5.636 1.00 0.00 H new ATOM 0 HE ARG A 39 11.308 -24.989 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.557 -22.987 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.739 -24.372 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.541 -26.763 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.730 -26.501 3.018 1.00 0.00 H new ATOM 625 N LYS A 40 7.172 -21.868 6.456 1.00 0.00 N ATOM 626 CA LYS A 40 5.899 -22.355 6.973 1.00 0.00 C ATOM 627 C LYS A 40 6.005 -23.819 7.389 1.00 0.00 C ATOM 628 O LYS A 40 6.256 -24.692 6.560 1.00 0.00 O ATOM 629 CB LYS A 40 4.801 -22.192 5.920 1.00 0.00 C ATOM 630 CG LYS A 40 5.207 -22.676 4.538 1.00 0.00 C ATOM 631 CD LYS A 40 4.016 -23.220 3.766 1.00 0.00 C ATOM 632 CE LYS A 40 4.457 -24.139 2.637 1.00 0.00 C ATOM 633 NZ LYS A 40 4.864 -23.374 1.426 1.00 0.00 N ATOM 0 H LYS A 40 7.420 -22.231 5.536 1.00 0.00 H new ATOM 0 HA LYS A 40 5.642 -21.763 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.916 -22.740 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.520 -21.141 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.658 -21.854 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.966 -23.452 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.359 -23.764 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.437 -22.392 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.291 -24.755 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.643 -24.817 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.158 -24.036 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.061 -22.806 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.658 -22.745 1.663 1.00 0.00 H new ATOM 647 N GLU A 41 5.811 -24.078 8.679 1.00 0.00 N ATOM 648 CA GLU A 41 5.885 -25.437 9.203 1.00 0.00 C ATOM 649 C GLU A 41 4.498 -25.952 9.576 1.00 0.00 C ATOM 650 O GLU A 41 3.535 -25.188 9.630 1.00 0.00 O ATOM 651 CB GLU A 41 6.805 -25.487 10.425 1.00 0.00 C ATOM 652 CG GLU A 41 7.535 -26.810 10.584 1.00 0.00 C ATOM 653 CD GLU A 41 8.760 -26.697 11.470 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.007 -25.595 12.003 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.472 -27.710 11.632 1.00 0.00 O ATOM 0 H GLU A 41 5.602 -23.366 9.379 1.00 0.00 H new ATOM 0 HA GLU A 41 6.294 -26.078 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.538 -24.684 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.215 -25.297 11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.853 -27.549 11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.834 -27.176 9.602 1.00 0.00 H new ATOM 662 N GLU A 42 4.405 -27.254 9.831 1.00 0.00 N ATOM 663 CA GLU A 42 3.136 -27.871 10.197 1.00 0.00 C ATOM 664 C GLU A 42 2.734 -27.486 11.618 1.00 0.00 C ATOM 665 O GLU A 42 1.552 -27.485 11.960 1.00 0.00 O ATOM 666 CB GLU A 42 3.231 -29.394 10.077 1.00 0.00 C ATOM 667 CG GLU A 42 4.072 -30.039 11.165 1.00 0.00 C ATOM 668 CD GLU A 42 4.070 -31.553 11.083 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.021 -32.162 11.379 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.118 -32.129 10.723 1.00 0.00 O ATOM 0 H GLU A 42 5.193 -27.901 9.791 1.00 0.00 H new ATOM 0 HA GLU A 42 2.372 -27.506 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.226 -29.816 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.653 -29.648 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.097 -29.676 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.696 -29.731 12.141 1.00 0.00 H new ATOM 677 N GLN A 43 3.726 -27.161 12.440 1.00 0.00 N ATOM 678 CA GLN A 43 3.476 -26.776 13.824 1.00 0.00 C ATOM 679 C GLN A 43 3.374 -25.260 13.958 1.00 0.00 C ATOM 680 O GLN A 43 2.283 -24.714 14.120 1.00 0.00 O ATOM 681 CB GLN A 43 4.587 -27.307 14.732 1.00 0.00 C ATOM 682 CG GLN A 43 4.659 -28.824 14.783 1.00 0.00 C ATOM 683 CD GLN A 43 5.327 -29.335 16.044 1.00 0.00 C ATOM 684 OE1 GLN A 43 4.794 -30.204 16.734 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.502 -28.797 16.351 1.00 0.00 N ATOM 0 H GLN A 43 4.710 -27.157 12.172 1.00 0.00 H new ATOM 0 HA GLN A 43 2.526 -27.214 14.130 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.545 -26.918 14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.434 -26.925 15.741 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.651 -29.234 14.719 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.207 -29.187 13.914 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.907 -28.079 15.750 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.999 -29.102 17.188 1.00 0.00 H new ATOM 694 N TRP A 44 4.517 -24.588 13.888 1.00 0.00 N ATOM 695 CA TRP A 44 4.556 -23.134 14.002 1.00 0.00 C ATOM 696 C TRP A 44 5.071 -22.501 12.714 1.00 0.00 C ATOM 697 O TRP A 44 5.767 -23.146 11.929 1.00 0.00 O ATOM 698 CB TRP A 44 5.441 -22.717 15.178 1.00 0.00 C ATOM 699 CG TRP A 44 4.713 -22.691 16.488 1.00 0.00 C ATOM 700 CD1 TRP A 44 3.618 -23.431 16.832 1.00 0.00 C ATOM 701 CD2 TRP A 44 5.028 -21.882 17.627 1.00 0.00 C ATOM 702 NE1 TRP A 44 3.233 -23.131 18.117 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.082 -22.184 18.626 1.00 0.00 C ATOM 704 CE3 TRP A 44 6.017 -20.935 17.901 1.00 0.00 C ATOM 705 CZ2 TRP A 44 4.098 -21.571 19.876 1.00 0.00 C ATOM 706 CZ3 TRP A 44 6.032 -20.326 19.141 1.00 0.00 C ATOM 707 CH2 TRP A 44 5.078 -20.646 20.117 1.00 0.00 C ATOM 0 H TRP A 44 5.428 -25.026 13.753 1.00 0.00 H new ATOM 0 HA TRP A 44 3.540 -22.781 14.178 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.283 -23.405 15.252 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.854 -21.728 14.980 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.127 -24.147 16.189 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.443 -23.546 18.611 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.757 -20.683 17.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.363 -21.817 20.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.792 -19.591 19.362 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.117 -20.153 21.077 1.00 0.00 H new ATOM 718 N TRP A 45 4.725 -21.236 12.502 1.00 0.00 N ATOM 719 CA TRP A 45 5.154 -20.517 11.308 1.00 0.00 C ATOM 720 C TRP A 45 6.227 -19.489 11.647 1.00 0.00 C ATOM 721 O TRP A 45 6.197 -18.877 12.715 1.00 0.00 O ATOM 722 CB TRP A 45 3.959 -19.826 10.648 1.00 0.00 C ATOM 723 CG TRP A 45 3.100 -20.760 9.850 1.00 0.00 C ATOM 724 CD1 TRP A 45 2.943 -22.102 10.049 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.281 -20.421 8.725 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.076 -22.617 9.116 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.656 -21.607 8.293 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.015 -19.231 8.042 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.782 -21.635 7.209 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.148 -19.261 6.966 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.539 -20.455 6.559 1.00 0.00 C ATOM 0 H TRP A 45 4.149 -20.688 13.141 1.00 0.00 H new ATOM 0 HA TRP A 45 5.578 -21.240 10.611 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.351 -19.353 11.419 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.322 -19.031 9.996 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.429 -22.674 10.826 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.791 -23.594 9.048 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.478 -18.305 8.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.313 -22.555 6.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.936 -18.348 6.430 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.136 -20.444 5.716 1.00 0.00 H new ATOM 742 N TRP A 46 7.173 -19.304 10.734 1.00 0.00 N ATOM 743 CA TRP A 46 8.256 -18.348 10.938 1.00 0.00 C ATOM 744 C TRP A 46 7.834 -16.947 10.509 1.00 0.00 C ATOM 745 O TRP A 46 7.296 -16.758 9.419 1.00 0.00 O ATOM 746 CB TRP A 46 9.499 -18.781 10.158 1.00 0.00 C ATOM 747 CG TRP A 46 10.258 -19.891 10.820 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.736 -20.917 11.554 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.677 -20.084 10.808 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.744 -21.737 12.000 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.944 -21.248 11.555 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.746 -19.389 10.238 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.237 -21.729 11.746 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.029 -19.867 10.429 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.265 -21.028 11.177 1.00 0.00 C ATOM 0 H TRP A 46 7.213 -19.803 9.845 1.00 0.00 H new ATOM 0 HA TRP A 46 8.492 -18.326 12.002 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.200 -19.100 9.159 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.159 -17.922 10.034 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.685 -21.063 11.755 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.619 -22.574 12.570 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.573 -18.494 9.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.422 -22.623 12.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.863 -19.337 9.994 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.279 -21.377 11.307 1.00 0.00 H new ATOM 766 N ALA A 47 8.081 -15.969 11.373 1.00 0.00 N ATOM 767 CA ALA A 47 7.729 -14.585 11.082 1.00 0.00 C ATOM 768 C ALA A 47 8.853 -13.636 11.482 1.00 0.00 C ATOM 769 O ALA A 47 9.339 -13.672 12.613 1.00 0.00 O ATOM 770 CB ALA A 47 6.439 -14.207 11.796 1.00 0.00 C ATOM 0 H ALA A 47 8.524 -16.109 12.281 1.00 0.00 H new ATOM 0 HA ALA A 47 7.577 -14.494 10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.188 -13.171 11.570 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.632 -14.858 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.572 -14.322 12.872 1.00 0.00 H new ATOM 776 N THR A 48 9.265 -12.786 10.545 1.00 0.00 N ATOM 777 CA THR A 48 10.334 -11.829 10.799 1.00 0.00 C ATOM 778 C THR A 48 9.804 -10.400 10.798 1.00 0.00 C ATOM 779 O THR A 48 9.005 -10.024 9.939 1.00 0.00 O ATOM 780 CB THR A 48 11.457 -11.949 9.751 1.00 0.00 C ATOM 781 OG1 THR A 48 11.667 -13.325 9.415 1.00 0.00 O ATOM 782 CG2 THR A 48 12.752 -11.346 10.274 1.00 0.00 C ATOM 0 H THR A 48 8.874 -12.742 9.604 1.00 0.00 H new ATOM 0 HA THR A 48 10.740 -12.063 11.783 1.00 0.00 H new ATOM 0 HB THR A 48 11.153 -11.400 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.381 -13.393 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.530 -11.442 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.596 -10.292 10.502 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.059 -11.871 11.178 1.00 0.00 H new ATOM 790 N LEU A 49 10.255 -9.606 11.763 1.00 0.00 N ATOM 791 CA LEU A 49 9.826 -8.216 11.872 1.00 0.00 C ATOM 792 C LEU A 49 10.855 -7.278 11.249 1.00 0.00 C ATOM 793 O LEU A 49 12.013 -7.243 11.667 1.00 0.00 O ATOM 794 CB LEU A 49 9.603 -7.844 13.339 1.00 0.00 C ATOM 795 CG LEU A 49 9.585 -6.349 13.658 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.436 -5.663 12.936 1.00 0.00 C ATOM 797 CD2 LEU A 49 9.484 -6.125 15.160 1.00 0.00 C ATOM 0 H LEU A 49 10.917 -9.901 12.481 1.00 0.00 H new ATOM 0 HA LEU A 49 8.887 -8.108 11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.656 -8.275 13.662 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.386 -8.313 13.935 1.00 0.00 H new ATOM 0 HG LEU A 49 10.520 -5.911 13.308 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.439 -4.600 13.175 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.553 -5.793 11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.491 -6.104 13.254 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.472 -5.055 15.368 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.566 -6.578 15.534 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.341 -6.582 15.654 1.00 0.00 H new ATOM 809 N LEU A 50 10.424 -6.516 10.249 1.00 0.00 N ATOM 810 CA LEU A 50 11.307 -5.575 9.569 1.00 0.00 C ATOM 811 C LEU A 50 10.924 -4.135 9.897 1.00 0.00 C ATOM 812 O LEU A 50 9.817 -3.868 10.364 1.00 0.00 O ATOM 813 CB LEU A 50 11.254 -5.797 8.057 1.00 0.00 C ATOM 814 CG LEU A 50 10.832 -7.193 7.598 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.763 -7.258 6.080 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.791 -8.244 8.136 1.00 0.00 C ATOM 0 H LEU A 50 9.469 -6.532 9.892 1.00 0.00 H new ATOM 0 HA LEU A 50 12.324 -5.750 9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.564 -5.071 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.240 -5.583 7.644 1.00 0.00 H new ATOM 0 HG LEU A 50 9.838 -7.400 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.461 -8.259 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.035 -6.532 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.743 -7.030 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.475 -9.231 7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.797 -8.040 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.789 -8.215 9.226 1.00 0.00 H new ATOM 828 N ASP A 51 11.846 -3.212 9.648 1.00 0.00 N ATOM 829 CA ASP A 51 11.604 -1.798 9.913 1.00 0.00 C ATOM 830 C ASP A 51 10.701 -1.192 8.844 1.00 0.00 C ATOM 831 O ASP A 51 10.278 -1.877 7.914 1.00 0.00 O ATOM 832 CB ASP A 51 12.928 -1.035 9.973 1.00 0.00 C ATOM 833 CG ASP A 51 12.882 0.129 10.943 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.396 -0.063 12.078 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.334 1.231 10.569 1.00 0.00 O ATOM 0 H ASP A 51 12.768 -3.417 9.263 1.00 0.00 H new ATOM 0 HA ASP A 51 11.102 -1.715 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.725 -1.718 10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.176 -0.665 8.978 1.00 0.00 H new ATOM 840 N GLU A 52 10.408 0.097 8.986 1.00 0.00 N ATOM 841 CA GLU A 52 9.553 0.795 8.033 1.00 0.00 C ATOM 842 C GLU A 52 10.154 0.755 6.631 1.00 0.00 C ATOM 843 O GLU A 52 9.434 0.780 5.634 1.00 0.00 O ATOM 844 CB GLU A 52 9.344 2.247 8.469 1.00 0.00 C ATOM 845 CG GLU A 52 10.632 3.049 8.549 1.00 0.00 C ATOM 846 CD GLU A 52 10.529 4.223 9.504 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.704 5.125 9.250 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.275 4.238 10.506 1.00 0.00 O ATOM 0 H GLU A 52 10.750 0.679 9.751 1.00 0.00 H new ATOM 0 HA GLU A 52 8.589 0.288 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.665 2.734 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.857 2.258 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.444 2.395 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.890 3.415 7.555 1.00 0.00 H new ATOM 855 N ALA A 53 11.480 0.693 6.564 1.00 0.00 N ATOM 856 CA ALA A 53 12.179 0.648 5.286 1.00 0.00 C ATOM 857 C ALA A 53 12.190 -0.766 4.715 1.00 0.00 C ATOM 858 O ALA A 53 12.424 -0.964 3.523 1.00 0.00 O ATOM 859 CB ALA A 53 13.601 1.166 5.443 1.00 0.00 C ATOM 0 H ALA A 53 12.091 0.673 7.380 1.00 0.00 H new ATOM 0 HA ALA A 53 11.645 1.290 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.111 1.126 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.576 2.196 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.136 0.547 6.163 1.00 0.00 H new ATOM 865 N GLY A 54 11.935 -1.748 5.574 1.00 0.00 N ATOM 866 CA GLY A 54 11.920 -3.132 5.137 1.00 0.00 C ATOM 867 C GLY A 54 13.087 -3.927 5.688 1.00 0.00 C ATOM 868 O GLY A 54 13.117 -5.152 5.585 1.00 0.00 O ATOM 0 H GLY A 54 11.738 -1.610 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.986 -3.599 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.943 -3.166 4.048 1.00 0.00 H new ATOM 872 N GLY A 55 14.053 -3.227 6.276 1.00 0.00 N ATOM 873 CA GLY A 55 15.215 -3.891 6.836 1.00 0.00 C ATOM 874 C GLY A 55 14.873 -4.736 8.047 1.00 0.00 C ATOM 875 O GLY A 55 14.327 -4.234 9.028 1.00 0.00 O ATOM 0 H GLY A 55 14.051 -2.212 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.671 -4.522 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.957 -3.143 7.116 1.00 0.00 H new ATOM 879 N ALA A 56 15.193 -6.024 7.978 1.00 0.00 N ATOM 880 CA ALA A 56 14.916 -6.940 9.077 1.00 0.00 C ATOM 881 C ALA A 56 15.452 -6.394 10.396 1.00 0.00 C ATOM 882 O ALA A 56 16.407 -5.617 10.415 1.00 0.00 O ATOM 883 CB ALA A 56 15.517 -8.308 8.787 1.00 0.00 C ATOM 0 H ALA A 56 15.644 -6.457 7.172 1.00 0.00 H new ATOM 0 HA ALA A 56 13.835 -7.041 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.303 -8.983 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.083 -8.709 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.596 -8.213 8.666 1.00 0.00 H new ATOM 889 N VAL A 57 14.831 -6.803 11.497 1.00 0.00 N ATOM 890 CA VAL A 57 15.246 -6.355 12.821 1.00 0.00 C ATOM 891 C VAL A 57 15.350 -7.526 13.791 1.00 0.00 C ATOM 892 O VAL A 57 16.444 -7.899 14.215 1.00 0.00 O ATOM 893 CB VAL A 57 14.266 -5.314 13.393 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.827 -4.694 14.664 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.962 -4.242 12.357 1.00 0.00 C ATOM 0 H VAL A 57 14.038 -7.444 11.499 1.00 0.00 H new ATOM 0 HA VAL A 57 16.228 -5.895 12.706 1.00 0.00 H new ATOM 0 HB VAL A 57 13.333 -5.819 13.644 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.121 -3.961 15.054 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.989 -5.474 15.408 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.774 -4.203 14.442 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.268 -3.515 12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.886 -3.739 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.514 -4.703 11.477 1.00 0.00 H new ATOM 905 N ALA A 58 14.205 -8.104 14.137 1.00 0.00 N ATOM 906 CA ALA A 58 14.167 -9.235 15.055 1.00 0.00 C ATOM 907 C ALA A 58 13.531 -10.455 14.397 1.00 0.00 C ATOM 908 O ALA A 58 12.908 -10.348 13.341 1.00 0.00 O ATOM 909 CB ALA A 58 13.410 -8.862 16.322 1.00 0.00 C ATOM 0 H ALA A 58 13.291 -7.807 13.795 1.00 0.00 H new ATOM 0 HA ALA A 58 15.193 -9.491 15.320 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.390 -9.716 16.999 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.908 -8.024 16.810 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.389 -8.578 16.066 1.00 0.00 H new ATOM 915 N GLN A 59 13.695 -11.614 15.027 1.00 0.00 N ATOM 916 CA GLN A 59 13.137 -12.855 14.501 1.00 0.00 C ATOM 917 C GLN A 59 12.420 -13.637 15.596 1.00 0.00 C ATOM 918 O GLN A 59 12.974 -13.872 16.669 1.00 0.00 O ATOM 919 CB GLN A 59 14.243 -13.713 13.884 1.00 0.00 C ATOM 920 CG GLN A 59 15.107 -12.965 12.882 1.00 0.00 C ATOM 921 CD GLN A 59 15.776 -13.889 11.883 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.400 -15.054 11.749 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.773 -13.373 11.174 1.00 0.00 N ATOM 0 H GLN A 59 14.209 -11.720 15.902 1.00 0.00 H new ATOM 0 HA GLN A 59 12.411 -12.600 13.729 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.878 -14.100 14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.791 -14.573 13.390 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.492 -12.242 12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.871 -12.400 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.052 -12.402 11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.260 -13.947 10.486 1.00 0.00 H new ATOM 932 N GLY A 60 11.184 -14.039 15.316 1.00 0.00 N ATOM 933 CA GLY A 60 10.411 -14.790 16.288 1.00 0.00 C ATOM 934 C GLY A 60 9.338 -15.644 15.640 1.00 0.00 C ATOM 935 O GLY A 60 9.065 -15.510 14.447 1.00 0.00 O ATOM 0 H GLY A 60 10.705 -13.858 14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.080 -15.428 16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.946 -14.098 16.990 1.00 0.00 H new ATOM 939 N TYR A 61 8.730 -16.524 16.427 1.00 0.00 N ATOM 940 CA TYR A 61 7.684 -17.406 15.923 1.00 0.00 C ATOM 941 C TYR A 61 6.410 -17.269 16.750 1.00 0.00 C ATOM 942 O TYR A 61 6.459 -16.957 17.940 1.00 0.00 O ATOM 943 CB TYR A 61 8.162 -18.859 15.937 1.00 0.00 C ATOM 944 CG TYR A 61 9.557 -19.043 15.384 1.00 0.00 C ATOM 945 CD1 TYR A 61 9.962 -18.380 14.232 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.470 -19.881 16.013 1.00 0.00 C ATOM 947 CE1 TYR A 61 11.236 -18.546 13.723 1.00 0.00 C ATOM 948 CE2 TYR A 61 11.746 -20.052 15.512 1.00 0.00 C ATOM 949 CZ TYR A 61 12.124 -19.383 14.366 1.00 0.00 C ATOM 950 OH TYR A 61 13.394 -19.550 13.863 1.00 0.00 O ATOM 0 H TYR A 61 8.943 -16.646 17.417 1.00 0.00 H new ATOM 0 HA TYR A 61 7.462 -17.114 14.897 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.134 -19.232 16.961 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.467 -19.467 15.357 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.269 -17.724 13.726 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.177 -20.408 16.909 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.535 -18.023 12.826 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.444 -20.706 16.014 1.00 0.00 H new ATOM 0 HH TYR A 61 13.345 -20.004 12.996 1.00 0.00 H new ATOM 960 N VAL A 62 5.269 -17.507 16.112 1.00 0.00 N ATOM 961 CA VAL A 62 3.981 -17.412 16.788 1.00 0.00 C ATOM 962 C VAL A 62 2.949 -18.324 16.133 1.00 0.00 C ATOM 963 O VAL A 62 3.052 -18.677 14.958 1.00 0.00 O ATOM 964 CB VAL A 62 3.449 -15.967 16.783 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.182 -15.125 17.816 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.579 -15.356 15.396 1.00 0.00 C ATOM 0 H VAL A 62 5.210 -17.767 15.127 1.00 0.00 H new ATOM 0 HA VAL A 62 4.140 -17.728 17.819 1.00 0.00 H new ATOM 0 HB VAL A 62 2.392 -15.986 17.049 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.793 -14.107 17.798 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.032 -15.553 18.807 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.247 -15.110 17.584 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.198 -14.335 15.411 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.628 -15.348 15.099 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.004 -15.947 14.683 1.00 0.00 H new ATOM 976 N PRO A 63 1.927 -18.715 16.910 1.00 0.00 N ATOM 977 CA PRO A 63 0.855 -19.590 16.427 1.00 0.00 C ATOM 978 C PRO A 63 -0.051 -18.894 15.418 1.00 0.00 C ATOM 979 O PRO A 63 -0.224 -17.675 15.461 1.00 0.00 O ATOM 980 CB PRO A 63 0.076 -19.932 17.699 1.00 0.00 C ATOM 981 CG PRO A 63 0.342 -18.795 18.624 1.00 0.00 C ATOM 982 CD PRO A 63 1.741 -18.333 18.320 1.00 0.00 C ATOM 0 HA PRO A 63 1.246 -20.462 15.903 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.990 -20.035 17.495 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.411 -20.877 18.127 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.377 -17.990 18.470 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.252 -19.109 19.664 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.849 -17.258 18.463 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.473 -18.816 18.967 1.00 0.00 H new ATOM 990 N HIS A 64 -0.629 -19.675 14.510 1.00 0.00 N ATOM 991 CA HIS A 64 -1.520 -19.132 13.491 1.00 0.00 C ATOM 992 C HIS A 64 -2.722 -18.443 14.130 1.00 0.00 C ATOM 993 O HIS A 64 -3.385 -17.621 13.500 1.00 0.00 O ATOM 994 CB HIS A 64 -1.993 -20.243 12.553 1.00 0.00 C ATOM 995 CG HIS A 64 -2.763 -21.325 13.246 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.190 -22.508 13.661 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.067 -21.396 13.599 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.109 -23.262 14.237 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.258 -22.609 14.213 1.00 0.00 N ATOM 0 H HIS A 64 -0.496 -20.685 14.459 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.964 -18.392 12.915 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.617 -19.807 11.773 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.127 -20.684 12.060 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.818 -20.639 13.429 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.949 -24.244 14.656 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.142 -22.951 14.589 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.996 -18.786 15.384 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.119 -18.201 16.108 1.00 0.00 C ATOM 1009 C ASN A 65 -3.819 -16.758 16.503 1.00 0.00 C ATOM 1010 O ASN A 65 -4.730 -15.979 16.785 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.434 -19.029 17.356 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.794 -18.697 17.941 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.918 -18.418 19.133 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.822 -18.727 17.101 1.00 0.00 N ATOM 0 H ASN A 65 -2.456 -19.466 15.920 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.987 -18.205 15.449 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.399 -20.089 17.104 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.665 -18.854 18.109 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.761 -18.513 17.437 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.672 -18.964 16.120 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.538 -16.410 16.521 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.118 -15.061 16.884 1.00 0.00 C ATOM 1023 C TYR A 66 -2.011 -14.173 15.648 1.00 0.00 C ATOM 1024 O TYR A 66 -2.638 -13.116 15.572 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.774 -15.102 17.614 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.803 -14.442 18.974 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -1.463 -15.036 20.042 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.171 -13.224 19.190 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -1.493 -14.436 21.286 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -0.194 -12.617 20.431 1.00 0.00 C ATOM 1031 CZ TYR A 66 -0.857 -13.227 21.475 1.00 0.00 C ATOM 1032 OH TYR A 66 -0.883 -12.626 22.713 1.00 0.00 O ATOM 0 H TYR A 66 -1.772 -17.042 16.289 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.872 -14.639 17.548 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.465 -16.141 17.730 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.020 -14.612 16.998 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.961 -15.983 19.897 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.347 -12.743 18.374 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.011 -14.911 22.106 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.304 -11.671 20.582 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.011 -12.732 23.147 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.213 -14.611 14.680 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.023 -13.857 13.446 1.00 0.00 C ATOM 1044 C LEU A 67 -2.001 -14.319 12.370 1.00 0.00 C ATOM 1045 O LEU A 67 -2.478 -15.453 12.397 1.00 0.00 O ATOM 1046 CB LEU A 67 0.414 -14.014 12.946 1.00 0.00 C ATOM 1047 CG LEU A 67 1.014 -12.799 12.237 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.445 -11.749 13.249 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.190 -13.217 11.366 1.00 0.00 C ATOM 0 H LEU A 67 -0.687 -15.484 14.726 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.215 -12.805 13.658 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.048 -14.263 13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.449 -14.862 12.263 1.00 0.00 H new ATOM 0 HG LEU A 67 0.249 -12.363 11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.869 -10.892 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.581 -11.428 13.830 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.194 -12.174 13.917 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.605 -12.340 10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.957 -13.678 11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.852 -13.932 10.617 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.293 -13.434 11.423 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.210 -13.752 10.336 1.00 0.00 C ATOM 1063 C ALA A 68 -2.845 -12.987 9.068 1.00 0.00 C ATOM 1064 O ALA A 68 -2.353 -11.861 9.132 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.642 -13.443 10.747 1.00 0.00 C ATOM 0 H ALA A 68 -1.907 -12.490 11.387 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.126 -14.818 10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.317 -13.685 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.906 -14.038 11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.731 -12.384 10.989 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.087 -13.608 7.918 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.782 -12.985 6.635 1.00 0.00 C ATOM 1073 C GLU A 69 -3.753 -11.846 6.339 1.00 0.00 C ATOM 1074 O GLU A 69 -4.853 -11.794 6.891 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.838 -14.023 5.513 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.250 -14.447 5.146 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.315 -15.871 4.627 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.419 -16.261 3.850 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.264 -16.594 4.998 1.00 0.00 O ATOM 0 H GLU A 69 -3.493 -14.541 7.848 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.774 -12.574 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.348 -13.616 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.270 -14.903 5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.893 -14.354 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.643 -13.770 4.388 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.339 -10.935 5.464 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.170 -9.796 5.095 1.00 0.00 C ATOM 1088 C ARG A 70 -4.189 -9.604 3.581 1.00 0.00 C ATOM 1089 O ARG A 70 -3.890 -8.521 3.080 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.661 -8.524 5.775 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.692 -8.590 7.293 1.00 0.00 C ATOM 1092 CD ARG A 70 -5.117 -8.570 7.822 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.612 -7.208 8.009 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.811 -6.924 8.504 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.634 -7.901 8.860 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.190 -5.660 8.644 1.00 0.00 N ATOM 0 H ARG A 70 -2.432 -10.964 4.997 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.187 -9.997 5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.639 -8.332 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.265 -7.679 5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.191 -9.498 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.137 -7.748 7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.769 -9.101 7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.159 -9.105 8.771 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.003 -6.433 7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.347 -8.874 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.554 -7.680 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.560 -4.906 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.111 -5.443 9.024 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.542 -10.664 2.860 1.00 0.00 N ATOM 1111 CA GLU A 71 -4.598 -10.611 1.404 1.00 0.00 C ATOM 1112 C GLU A 71 -5.862 -9.897 0.933 1.00 0.00 C ATOM 1113 O GLU A 71 -6.787 -9.667 1.714 1.00 0.00 O ATOM 1114 CB GLU A 71 -4.549 -12.024 0.818 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.636 -12.942 1.352 1.00 0.00 C ATOM 1116 CD GLU A 71 -5.704 -14.261 0.606 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -4.644 -14.737 0.147 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -6.815 -14.816 0.482 1.00 0.00 O ATOM 0 H GLU A 71 -4.793 -11.568 3.260 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.732 -10.049 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.638 -11.962 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.575 -12.464 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.456 -13.136 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.600 -12.438 1.280 1.00 0.00 H new ATOM 1125 N THR A 72 -5.895 -9.548 -0.349 1.00 0.00 N ATOM 1126 CA THR A 72 -7.043 -8.858 -0.924 1.00 0.00 C ATOM 1127 C THR A 72 -7.537 -9.567 -2.181 1.00 0.00 C ATOM 1128 O THR A 72 -6.824 -10.381 -2.768 1.00 0.00 O ATOM 1129 CB THR A 72 -6.704 -7.397 -1.273 1.00 0.00 C ATOM 1130 OG1 THR A 72 -7.770 -6.814 -2.031 1.00 0.00 O ATOM 1131 CG2 THR A 72 -5.408 -7.316 -2.065 1.00 0.00 C ATOM 0 H THR A 72 -5.140 -9.732 -1.009 1.00 0.00 H new ATOM 0 HA THR A 72 -7.829 -8.870 -0.169 1.00 0.00 H new ATOM 0 HB THR A 72 -6.577 -6.845 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.547 -5.884 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.190 -6.274 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.593 -7.733 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.511 -7.883 -2.990 1.00 0.00 H new TER 1139 THR A 72