USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 67 ASN : amide:sc= -6.64! C(o=-7.5!,f=-17!) USER MOD Set 1.2: A 70 ASN : amide:sc= -0.827 K(o=-7.5,f=-9.3!) USER MOD Single : A 1 GLY N :NH3+ 167:sc= 0.148 (180deg=0.0631) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= -0.211 (180deg=-0.951) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.3!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.005) USER MOD Single : A 35 GLN : amide:sc= -3.41! C(o=-3.4!,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.138) USER MOD Single : A 39 SER OG : rot -150:sc= -2.73 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 58 THR OG1 : rot -152:sc= -0.791 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.583 -7.504 6.522 1.00 0.00 N ATOM 2 CA GLY A 1 -14.101 -7.356 6.464 1.00 0.00 C ATOM 3 C GLY A 1 -13.672 -7.073 5.023 1.00 0.00 C ATOM 4 O GLY A 1 -13.361 -5.954 4.667 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.856 -7.909 7.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.030 -6.572 6.408 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.899 -8.135 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.780 -6.544 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.620 -8.265 6.826 1.00 0.00 H new ATOM 8 N LYS A 2 -13.647 -8.079 4.191 1.00 0.00 N ATOM 9 CA LYS A 2 -13.234 -7.865 2.775 1.00 0.00 C ATOM 10 C LYS A 2 -14.376 -7.206 1.999 1.00 0.00 C ATOM 11 O LYS A 2 -15.099 -7.856 1.270 1.00 0.00 O ATOM 12 CB LYS A 2 -12.894 -9.212 2.134 1.00 0.00 C ATOM 13 CG LYS A 2 -11.828 -9.922 2.971 1.00 0.00 C ATOM 14 CD LYS A 2 -10.467 -9.786 2.286 1.00 0.00 C ATOM 15 CE LYS A 2 -9.403 -10.492 3.125 1.00 0.00 C ATOM 16 NZ LYS A 2 -9.486 -10.016 4.535 1.00 0.00 N ATOM 0 H LYS A 2 -13.895 -9.039 4.431 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.358 -7.217 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.789 -9.830 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.532 -9.062 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.788 -9.490 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.084 -10.975 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.505 -10.221 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.212 -8.733 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.550 -11.571 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.412 -10.290 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.578 -10.185 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.699 -8.998 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.239 -10.533 5.032 1.00 0.00 H new ATOM 30 N GLU A 3 -14.545 -5.920 2.146 1.00 0.00 N ATOM 31 CA GLU A 3 -15.639 -5.224 1.412 1.00 0.00 C ATOM 32 C GLU A 3 -15.260 -3.760 1.199 1.00 0.00 C ATOM 33 O GLU A 3 -16.106 -2.891 1.138 1.00 0.00 O ATOM 34 CB GLU A 3 -16.934 -5.306 2.223 1.00 0.00 C ATOM 35 CG GLU A 3 -16.644 -4.976 3.689 1.00 0.00 C ATOM 36 CD GLU A 3 -17.727 -5.595 4.574 1.00 0.00 C ATOM 37 OE1 GLU A 3 -18.548 -6.327 4.046 1.00 0.00 O ATOM 38 OE2 GLU A 3 -17.716 -5.327 5.764 1.00 0.00 O ATOM 0 H GLU A 3 -13.973 -5.322 2.742 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.788 -5.704 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.671 -4.610 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.363 -6.305 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.664 -5.360 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.616 -3.896 3.831 1.00 0.00 H new ATOM 45 N CYS A 4 -13.993 -3.483 1.077 1.00 0.00 N ATOM 46 CA CYS A 4 -13.554 -2.078 0.857 1.00 0.00 C ATOM 47 C CYS A 4 -12.039 -2.052 0.646 1.00 0.00 C ATOM 48 O CYS A 4 -11.285 -2.612 1.417 1.00 0.00 O ATOM 49 CB CYS A 4 -13.922 -1.220 2.069 1.00 0.00 C ATOM 50 SG CYS A 4 -13.337 0.473 1.802 1.00 0.00 S ATOM 0 H CYS A 4 -13.241 -4.170 1.120 1.00 0.00 H new ATOM 0 HA CYS A 4 -14.054 -1.676 -0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.002 -1.225 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.473 -1.634 2.972 1.00 0.00 H new ATOM 55 N ASP A 5 -11.588 -1.412 -0.396 1.00 0.00 N ATOM 56 CA ASP A 5 -10.123 -1.355 -0.661 1.00 0.00 C ATOM 57 C ASP A 5 -9.610 0.062 -0.396 1.00 0.00 C ATOM 58 O ASP A 5 -8.421 0.295 -0.311 1.00 0.00 O ATOM 59 CB ASP A 5 -9.856 -1.728 -2.122 1.00 0.00 C ATOM 60 CG ASP A 5 -8.348 -1.825 -2.358 1.00 0.00 C ATOM 61 OD1 ASP A 5 -7.740 -0.796 -2.605 1.00 0.00 O ATOM 62 OD2 ASP A 5 -7.827 -2.926 -2.288 1.00 0.00 O ATOM 0 H ASP A 5 -12.171 -0.925 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.607 -2.056 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.333 -2.679 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.291 -0.980 -2.785 1.00 0.00 H new ATOM 67 N CYS A 6 -10.497 1.008 -0.268 1.00 0.00 N ATOM 68 CA CYS A 6 -10.059 2.408 -0.011 1.00 0.00 C ATOM 69 C CYS A 6 -10.834 2.977 1.179 1.00 0.00 C ATOM 70 O CYS A 6 -12.040 2.847 1.266 1.00 0.00 O ATOM 71 CB CYS A 6 -10.330 3.262 -1.251 1.00 0.00 C ATOM 72 SG CYS A 6 -12.115 3.344 -1.543 1.00 0.00 S ATOM 0 H CYS A 6 -11.506 0.873 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.992 2.419 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.926 4.265 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.827 2.834 -2.118 1.00 0.00 H new ATOM 77 N SER A 7 -10.154 3.609 2.095 1.00 0.00 N ATOM 78 CA SER A 7 -10.853 4.187 3.277 1.00 0.00 C ATOM 79 C SER A 7 -11.515 5.508 2.880 1.00 0.00 C ATOM 80 O SER A 7 -12.115 6.181 3.695 1.00 0.00 O ATOM 81 CB SER A 7 -9.842 4.439 4.395 1.00 0.00 C ATOM 82 OG SER A 7 -9.252 3.205 4.780 1.00 0.00 O ATOM 0 H SER A 7 -9.144 3.750 2.076 1.00 0.00 H new ATOM 0 HA SER A 7 -11.614 3.489 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.073 5.133 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.335 4.902 5.250 1.00 0.00 H new ATOM 0 HG SER A 7 -8.602 3.363 5.496 1.00 0.00 H new ATOM 88 N SER A 8 -11.411 5.887 1.636 1.00 0.00 N ATOM 89 CA SER A 8 -12.035 7.163 1.193 1.00 0.00 C ATOM 90 C SER A 8 -13.270 6.853 0.335 1.00 0.00 C ATOM 91 O SER A 8 -13.147 6.277 -0.727 1.00 0.00 O ATOM 92 CB SER A 8 -11.028 7.957 0.361 1.00 0.00 C ATOM 93 OG SER A 8 -10.476 8.997 1.159 1.00 0.00 O ATOM 0 H SER A 8 -10.921 5.367 0.908 1.00 0.00 H new ATOM 0 HA SER A 8 -12.331 7.747 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.236 7.299 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.516 8.378 -0.518 1.00 0.00 H new ATOM 0 HG SER A 8 -9.828 9.507 0.629 1.00 0.00 H new ATOM 99 N PRO A 9 -14.424 7.244 0.816 1.00 0.00 N ATOM 100 CA PRO A 9 -15.694 7.019 0.102 1.00 0.00 C ATOM 101 C PRO A 9 -15.849 8.031 -1.037 1.00 0.00 C ATOM 102 O PRO A 9 -16.859 8.073 -1.711 1.00 0.00 O ATOM 103 CB PRO A 9 -16.758 7.232 1.182 1.00 0.00 C ATOM 104 CG PRO A 9 -16.099 8.104 2.278 1.00 0.00 C ATOM 105 CD PRO A 9 -14.576 7.947 2.108 1.00 0.00 C ATOM 0 HA PRO A 9 -15.762 6.034 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.637 7.726 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.091 6.279 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.395 9.148 2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.413 7.782 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.075 8.915 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.141 7.374 2.927 1.00 0.00 H new ATOM 113 N GLU A 10 -14.851 8.843 -1.258 1.00 0.00 N ATOM 114 CA GLU A 10 -14.929 9.849 -2.354 1.00 0.00 C ATOM 115 C GLU A 10 -13.836 9.552 -3.383 1.00 0.00 C ATOM 116 O GLU A 10 -13.573 10.338 -4.272 1.00 0.00 O ATOM 117 CB GLU A 10 -14.721 11.250 -1.775 1.00 0.00 C ATOM 118 CG GLU A 10 -16.079 11.878 -1.455 1.00 0.00 C ATOM 119 CD GLU A 10 -15.930 13.397 -1.355 1.00 0.00 C ATOM 120 OE1 GLU A 10 -15.147 13.948 -2.112 1.00 0.00 O ATOM 121 OE2 GLU A 10 -16.601 13.985 -0.521 1.00 0.00 O ATOM 0 H GLU A 10 -13.982 8.852 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.907 9.799 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.112 11.195 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.180 11.873 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.801 11.623 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.464 11.478 -0.517 1.00 0.00 H new ATOM 128 N ASN A 11 -13.195 8.419 -3.266 1.00 0.00 N ATOM 129 CA ASN A 11 -12.118 8.061 -4.231 1.00 0.00 C ATOM 130 C ASN A 11 -12.749 7.418 -5.475 1.00 0.00 C ATOM 131 O ASN A 11 -13.593 6.552 -5.357 1.00 0.00 O ATOM 132 CB ASN A 11 -11.160 7.071 -3.566 1.00 0.00 C ATOM 133 CG ASN A 11 -9.714 7.481 -3.851 1.00 0.00 C ATOM 134 OD1 ASN A 11 -9.464 8.561 -4.351 1.00 0.00 O ATOM 135 ND2 ASN A 11 -8.746 6.659 -3.554 1.00 0.00 N ATOM 0 H ASN A 11 -13.373 7.725 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.568 8.955 -4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.336 7.047 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.343 6.064 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.778 6.922 -3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.957 5.753 -3.135 1.00 0.00 H new ATOM 142 N PRO A 12 -12.331 7.870 -6.633 1.00 0.00 N ATOM 143 CA PRO A 12 -12.850 7.366 -7.918 1.00 0.00 C ATOM 144 C PRO A 12 -12.195 6.031 -8.298 1.00 0.00 C ATOM 145 O PRO A 12 -12.691 5.307 -9.139 1.00 0.00 O ATOM 146 CB PRO A 12 -12.454 8.459 -8.916 1.00 0.00 C ATOM 147 CG PRO A 12 -11.266 9.221 -8.281 1.00 0.00 C ATOM 148 CD PRO A 12 -11.308 8.926 -6.771 1.00 0.00 C ATOM 0 HA PRO A 12 -13.923 7.174 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.169 8.025 -9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.290 9.132 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.321 8.893 -8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.348 10.292 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.338 8.590 -6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.575 9.815 -6.199 1.00 0.00 H new ATOM 156 N CYS A 13 -11.082 5.704 -7.702 1.00 0.00 N ATOM 157 CA CYS A 13 -10.401 4.427 -8.051 1.00 0.00 C ATOM 158 C CYS A 13 -11.100 3.245 -7.378 1.00 0.00 C ATOM 159 O CYS A 13 -10.830 2.101 -7.688 1.00 0.00 O ATOM 160 CB CYS A 13 -8.946 4.482 -7.590 1.00 0.00 C ATOM 161 SG CYS A 13 -7.901 3.695 -8.838 1.00 0.00 S ATOM 0 H CYS A 13 -10.616 6.265 -6.989 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.443 4.293 -9.132 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.638 5.517 -7.440 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.835 3.974 -6.632 1.00 0.00 H new ATOM 166 N CYS A 14 -11.988 3.496 -6.458 1.00 0.00 N ATOM 167 CA CYS A 14 -12.677 2.362 -5.780 1.00 0.00 C ATOM 168 C CYS A 14 -14.185 2.607 -5.738 1.00 0.00 C ATOM 169 O CYS A 14 -14.649 3.613 -5.240 1.00 0.00 O ATOM 170 CB CYS A 14 -12.146 2.220 -4.353 1.00 0.00 C ATOM 171 SG CYS A 14 -12.278 3.812 -3.501 1.00 0.00 S ATOM 0 H CYS A 14 -12.265 4.427 -6.148 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.481 1.447 -6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.713 1.460 -3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.107 1.890 -4.371 1.00 0.00 H new ATOM 176 N ASP A 15 -14.955 1.683 -6.247 1.00 0.00 N ATOM 177 CA ASP A 15 -16.432 1.850 -6.224 1.00 0.00 C ATOM 178 C ASP A 15 -16.872 2.143 -4.791 1.00 0.00 C ATOM 179 O ASP A 15 -16.611 1.372 -3.885 1.00 0.00 O ATOM 180 CB ASP A 15 -17.099 0.560 -6.706 1.00 0.00 C ATOM 181 CG ASP A 15 -18.591 0.811 -6.930 1.00 0.00 C ATOM 182 OD1 ASP A 15 -18.939 1.276 -8.003 1.00 0.00 O ATOM 183 OD2 ASP A 15 -19.360 0.532 -6.025 1.00 0.00 O ATOM 0 H ASP A 15 -14.622 0.820 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.722 2.672 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.633 0.221 -7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.959 -0.232 -5.970 1.00 0.00 H new ATOM 188 N ALA A 16 -17.532 3.249 -4.578 1.00 0.00 N ATOM 189 CA ALA A 16 -17.988 3.595 -3.203 1.00 0.00 C ATOM 190 C ALA A 16 -19.071 2.611 -2.762 1.00 0.00 C ATOM 191 O ALA A 16 -19.144 2.230 -1.611 1.00 0.00 O ATOM 192 CB ALA A 16 -18.555 5.017 -3.197 1.00 0.00 C ATOM 0 H ALA A 16 -17.775 3.929 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.145 3.537 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.889 5.271 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.782 5.718 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.398 5.075 -3.885 1.00 0.00 H new ATOM 198 N ALA A 17 -19.913 2.195 -3.667 1.00 0.00 N ATOM 199 CA ALA A 17 -20.988 1.233 -3.295 1.00 0.00 C ATOM 200 C ALA A 17 -20.370 0.057 -2.539 1.00 0.00 C ATOM 201 O ALA A 17 -20.807 -0.300 -1.462 1.00 0.00 O ATOM 202 CB ALA A 17 -21.678 0.721 -4.562 1.00 0.00 C ATOM 0 H ALA A 17 -19.903 2.479 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 17 -21.722 1.731 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.464 0.017 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -22.114 1.561 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -20.947 0.220 -5.197 1.00 0.00 H new ATOM 208 N THR A 18 -19.353 -0.546 -3.091 1.00 0.00 N ATOM 209 CA THR A 18 -18.706 -1.695 -2.401 1.00 0.00 C ATOM 210 C THR A 18 -17.475 -1.197 -1.640 1.00 0.00 C ATOM 211 O THR A 18 -16.954 -1.871 -0.774 1.00 0.00 O ATOM 212 CB THR A 18 -18.280 -2.740 -3.434 1.00 0.00 C ATOM 213 OG1 THR A 18 -17.711 -3.858 -2.766 1.00 0.00 O ATOM 214 CG2 THR A 18 -17.249 -2.132 -4.384 1.00 0.00 C ATOM 0 H THR A 18 -18.943 -0.292 -3.990 1.00 0.00 H new ATOM 0 HA THR A 18 -19.411 -2.146 -1.703 1.00 0.00 H new ATOM 0 HB THR A 18 -19.150 -3.062 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.439 -4.530 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.947 -2.878 -5.119 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.687 -1.275 -4.896 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.377 -1.809 -3.816 1.00 0.00 H new ATOM 222 N CYS A 19 -17.004 -0.020 -1.955 1.00 0.00 N ATOM 223 CA CYS A 19 -15.806 0.520 -1.251 1.00 0.00 C ATOM 224 C CYS A 19 -14.552 -0.184 -1.773 1.00 0.00 C ATOM 225 O CYS A 19 -13.491 -0.095 -1.188 1.00 0.00 O ATOM 226 CB CYS A 19 -15.941 0.264 0.253 1.00 0.00 C ATOM 227 SG CYS A 19 -14.970 1.486 1.171 1.00 0.00 S ATOM 0 H CYS A 19 -17.398 0.591 -2.670 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.728 1.592 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.989 0.322 0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.597 -0.742 0.493 1.00 0.00 H new ATOM 232 N LYS A 20 -14.665 -0.886 -2.867 1.00 0.00 N ATOM 233 CA LYS A 20 -13.474 -1.602 -3.411 1.00 0.00 C ATOM 234 C LYS A 20 -13.047 -0.982 -4.743 1.00 0.00 C ATOM 235 O LYS A 20 -13.568 0.030 -5.164 1.00 0.00 O ATOM 236 CB LYS A 20 -13.811 -3.081 -3.621 1.00 0.00 C ATOM 237 CG LYS A 20 -14.364 -3.680 -2.322 1.00 0.00 C ATOM 238 CD LYS A 20 -13.708 -5.038 -2.069 1.00 0.00 C ATOM 239 CE LYS A 20 -14.511 -6.134 -2.773 1.00 0.00 C ATOM 240 NZ LYS A 20 -13.819 -6.524 -4.033 1.00 0.00 N ATOM 0 H LYS A 20 -15.524 -0.995 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.655 -1.512 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.544 -3.186 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.919 -3.625 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.168 -3.008 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.446 -3.794 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.682 -5.032 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.662 -5.237 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.615 -7.000 -2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.517 -5.778 -2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.364 -7.269 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.742 -5.696 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.867 -6.880 -3.811 1.00 0.00 H new ATOM 254 N LEU A 21 -12.093 -1.583 -5.402 1.00 0.00 N ATOM 255 CA LEU A 21 -11.614 -1.034 -6.703 1.00 0.00 C ATOM 256 C LEU A 21 -12.711 -1.161 -7.761 1.00 0.00 C ATOM 257 O LEU A 21 -13.204 -2.239 -8.031 1.00 0.00 O ATOM 258 CB LEU A 21 -10.380 -1.817 -7.155 1.00 0.00 C ATOM 259 CG LEU A 21 -9.127 -1.193 -6.539 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.220 -2.298 -5.995 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.375 -0.398 -7.609 1.00 0.00 C ATOM 0 H LEU A 21 -11.623 -2.434 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.361 0.019 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.467 -2.860 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.308 -1.806 -8.243 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.416 -0.527 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.327 -1.853 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.755 -2.865 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.931 -2.965 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.482 0.047 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.087 -1.064 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.020 0.390 -7.997 1.00 0.00 H new ATOM 273 N ARG A 22 -13.096 -0.069 -8.365 1.00 0.00 N ATOM 274 CA ARG A 22 -14.160 -0.131 -9.406 1.00 0.00 C ATOM 275 C ARG A 22 -13.544 -0.562 -10.751 1.00 0.00 C ATOM 276 O ARG A 22 -14.035 -1.476 -11.382 1.00 0.00 O ATOM 277 CB ARG A 22 -14.843 1.248 -9.522 1.00 0.00 C ATOM 278 CG ARG A 22 -15.345 1.494 -10.951 1.00 0.00 C ATOM 279 CD ARG A 22 -16.495 0.534 -11.263 1.00 0.00 C ATOM 280 NE ARG A 22 -17.775 1.294 -11.313 1.00 0.00 N ATOM 281 CZ ARG A 22 -18.385 1.469 -12.453 1.00 0.00 C ATOM 282 NH1 ARG A 22 -18.418 0.503 -13.329 1.00 0.00 N ATOM 283 NH2 ARG A 22 -18.961 2.609 -12.717 1.00 0.00 N ATOM 0 H ARG A 22 -12.720 0.861 -8.182 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.914 -0.867 -9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.679 1.304 -8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.139 2.031 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.680 2.526 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.533 1.348 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.318 0.035 -12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.551 -0.244 -10.501 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.174 1.677 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.967 -0.388 -13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.895 0.639 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.935 3.364 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.438 2.745 -13.608 1.00 0.00 H new ATOM 297 N PRO A 23 -12.492 0.109 -11.154 1.00 0.00 N ATOM 298 CA PRO A 23 -11.804 -0.192 -12.422 1.00 0.00 C ATOM 299 C PRO A 23 -10.873 -1.396 -12.254 1.00 0.00 C ATOM 300 O PRO A 23 -11.009 -2.175 -11.332 1.00 0.00 O ATOM 301 CB PRO A 23 -10.994 1.077 -12.700 1.00 0.00 C ATOM 302 CG PRO A 23 -10.803 1.780 -11.334 1.00 0.00 C ATOM 303 CD PRO A 23 -11.889 1.224 -10.394 1.00 0.00 C ATOM 0 HA PRO A 23 -12.491 -0.445 -13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.031 0.833 -13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.518 1.726 -13.401 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.808 1.585 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.898 2.861 -11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.462 0.879 -9.452 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.630 1.985 -10.148 1.00 0.00 H new ATOM 311 N GLY A 24 -9.924 -1.549 -13.136 1.00 0.00 N ATOM 312 CA GLY A 24 -8.979 -2.695 -13.026 1.00 0.00 C ATOM 313 C GLY A 24 -7.730 -2.241 -12.271 1.00 0.00 C ATOM 314 O GLY A 24 -6.648 -2.757 -12.469 1.00 0.00 O ATOM 0 H GLY A 24 -9.762 -0.929 -13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.454 -3.525 -12.503 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.708 -3.056 -14.018 1.00 0.00 H new ATOM 318 N ALA A 25 -7.872 -1.273 -11.408 1.00 0.00 N ATOM 319 CA ALA A 25 -6.699 -0.773 -10.637 1.00 0.00 C ATOM 320 C ALA A 25 -6.360 -1.768 -9.523 1.00 0.00 C ATOM 321 O ALA A 25 -7.234 -2.341 -8.904 1.00 0.00 O ATOM 322 CB ALA A 25 -7.043 0.589 -10.026 1.00 0.00 C ATOM 0 H ALA A 25 -8.755 -0.805 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.839 -0.669 -11.299 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.188 0.960 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.286 1.294 -10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.900 0.483 -9.361 1.00 0.00 H new ATOM 328 N GLN A 26 -5.096 -1.979 -9.261 1.00 0.00 N ATOM 329 CA GLN A 26 -4.708 -2.937 -8.188 1.00 0.00 C ATOM 330 C GLN A 26 -5.061 -2.344 -6.823 1.00 0.00 C ATOM 331 O GLN A 26 -5.458 -3.045 -5.913 1.00 0.00 O ATOM 332 CB GLN A 26 -3.201 -3.196 -8.254 1.00 0.00 C ATOM 333 CG GLN A 26 -2.943 -4.557 -8.903 1.00 0.00 C ATOM 334 CD GLN A 26 -3.460 -4.543 -10.343 1.00 0.00 C ATOM 335 OE1 GLN A 26 -4.094 -5.481 -10.782 1.00 0.00 O ATOM 336 NE2 GLN A 26 -3.210 -3.510 -11.101 1.00 0.00 N ATOM 0 H GLN A 26 -4.318 -1.529 -9.744 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.245 -3.875 -8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.711 -2.409 -8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.773 -3.173 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.876 -4.781 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.440 -5.343 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.677 -2.723 -10.731 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.547 -3.490 -12.063 1.00 0.00 H new ATOM 345 N CYS A 27 -4.917 -1.056 -6.672 1.00 0.00 N ATOM 346 CA CYS A 27 -5.240 -0.417 -5.365 1.00 0.00 C ATOM 347 C CYS A 27 -5.672 1.034 -5.605 1.00 0.00 C ATOM 348 O CYS A 27 -5.317 1.645 -6.594 1.00 0.00 O ATOM 349 CB CYS A 27 -3.991 -0.484 -4.456 1.00 0.00 C ATOM 350 SG CYS A 27 -3.860 0.982 -3.386 1.00 0.00 S ATOM 0 H CYS A 27 -4.589 -0.418 -7.398 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.060 -0.941 -4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.037 -1.382 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.096 -0.566 -5.073 1.00 0.00 H new ATOM 355 N GLY A 28 -6.430 1.589 -4.698 1.00 0.00 N ATOM 356 CA GLY A 28 -6.880 2.998 -4.858 1.00 0.00 C ATOM 357 C GLY A 28 -5.978 3.897 -4.024 1.00 0.00 C ATOM 358 O GLY A 28 -5.675 5.013 -4.398 1.00 0.00 O ATOM 0 H GLY A 28 -6.757 1.124 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.839 3.291 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.917 3.102 -4.538 1.00 0.00 H new ATOM 362 N GLU A 29 -5.543 3.417 -2.897 1.00 0.00 N ATOM 363 CA GLU A 29 -4.658 4.241 -2.040 1.00 0.00 C ATOM 364 C GLU A 29 -3.683 3.330 -1.288 1.00 0.00 C ATOM 365 O GLU A 29 -4.015 2.223 -0.912 1.00 0.00 O ATOM 366 CB GLU A 29 -5.517 5.035 -1.059 1.00 0.00 C ATOM 367 CG GLU A 29 -6.041 4.112 0.040 1.00 0.00 C ATOM 368 CD GLU A 29 -5.424 4.512 1.381 1.00 0.00 C ATOM 369 OE1 GLU A 29 -4.340 5.072 1.368 1.00 0.00 O ATOM 370 OE2 GLU A 29 -6.045 4.254 2.398 1.00 0.00 O ATOM 0 H GLU A 29 -5.763 2.490 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.082 4.935 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.931 5.842 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.352 5.498 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.128 4.175 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.793 3.076 -0.192 1.00 0.00 H new ATOM 377 N GLY A 30 -2.477 3.783 -1.073 1.00 0.00 N ATOM 378 CA GLY A 30 -1.480 2.939 -0.353 1.00 0.00 C ATOM 379 C GLY A 30 -0.066 3.423 -0.693 1.00 0.00 C ATOM 380 O GLY A 30 0.138 4.137 -1.655 1.00 0.00 O ATOM 0 H GLY A 30 -2.139 4.700 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.647 2.996 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.597 1.894 -0.639 1.00 0.00 H new ATOM 384 N LEU A 31 0.912 3.039 0.084 1.00 0.00 N ATOM 385 CA LEU A 31 2.308 3.479 -0.203 1.00 0.00 C ATOM 386 C LEU A 31 2.779 2.843 -1.512 1.00 0.00 C ATOM 387 O LEU A 31 3.513 3.438 -2.276 1.00 0.00 O ATOM 388 CB LEU A 31 3.227 3.032 0.937 1.00 0.00 C ATOM 389 CG LEU A 31 3.255 4.106 2.026 1.00 0.00 C ATOM 390 CD1 LEU A 31 4.052 5.316 1.533 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.825 4.536 2.357 1.00 0.00 C ATOM 0 H LEU A 31 0.805 2.441 0.903 1.00 0.00 H new ATOM 0 HA LEU A 31 2.338 4.565 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.875 2.088 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.234 2.858 0.558 1.00 0.00 H new ATOM 0 HG LEU A 31 3.728 3.701 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.071 6.080 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.072 5.010 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.582 5.721 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.846 5.301 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.350 4.939 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.259 3.675 2.712 1.00 0.00 H new ATOM 403 N CYS A 32 2.362 1.637 -1.770 1.00 0.00 N ATOM 404 CA CYS A 32 2.780 0.946 -3.022 1.00 0.00 C ATOM 405 C CYS A 32 1.672 1.069 -4.070 1.00 0.00 C ATOM 406 O CYS A 32 1.492 0.199 -4.900 1.00 0.00 O ATOM 407 CB CYS A 32 3.033 -0.531 -2.722 1.00 0.00 C ATOM 408 SG CYS A 32 4.714 -0.967 -3.223 1.00 0.00 S ATOM 0 H CYS A 32 1.745 1.096 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 32 3.692 1.405 -3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.897 -0.726 -1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.311 -1.150 -3.254 1.00 0.00 H new ATOM 413 N CYS A 33 0.928 2.139 -4.042 1.00 0.00 N ATOM 414 CA CYS A 33 -0.165 2.309 -5.038 1.00 0.00 C ATOM 415 C CYS A 33 0.181 3.458 -5.988 1.00 0.00 C ATOM 416 O CYS A 33 -0.291 4.567 -5.836 1.00 0.00 O ATOM 417 CB CYS A 33 -1.475 2.622 -4.312 1.00 0.00 C ATOM 418 SG CYS A 33 -1.869 1.269 -3.175 1.00 0.00 S ATOM 0 H CYS A 33 1.030 2.902 -3.373 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.279 1.388 -5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.384 3.559 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.282 2.752 -5.033 1.00 0.00 H new ATOM 423 N GLU A 34 0.995 3.196 -6.975 1.00 0.00 N ATOM 424 CA GLU A 34 1.361 4.264 -7.944 1.00 0.00 C ATOM 425 C GLU A 34 0.360 4.227 -9.093 1.00 0.00 C ATOM 426 O GLU A 34 0.239 3.238 -9.789 1.00 0.00 O ATOM 427 CB GLU A 34 2.772 4.013 -8.481 1.00 0.00 C ATOM 428 CG GLU A 34 3.778 4.829 -7.669 1.00 0.00 C ATOM 429 CD GLU A 34 5.195 4.337 -7.967 1.00 0.00 C ATOM 430 OE1 GLU A 34 5.582 4.371 -9.124 1.00 0.00 O ATOM 431 OE2 GLU A 34 5.869 3.931 -7.035 1.00 0.00 O ATOM 0 H GLU A 34 1.422 2.286 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 34 1.340 5.239 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.013 2.952 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.827 4.291 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.689 5.887 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.565 4.733 -6.604 1.00 0.00 H new ATOM 438 N GLN A 35 -0.379 5.279 -9.285 1.00 0.00 N ATOM 439 CA GLN A 35 -1.388 5.273 -10.374 1.00 0.00 C ATOM 440 C GLN A 35 -2.385 4.150 -10.092 1.00 0.00 C ATOM 441 O GLN A 35 -2.836 3.462 -10.985 1.00 0.00 O ATOM 442 CB GLN A 35 -0.700 5.029 -11.720 1.00 0.00 C ATOM 443 CG GLN A 35 0.181 6.230 -12.069 1.00 0.00 C ATOM 444 CD GLN A 35 1.510 6.122 -11.321 1.00 0.00 C ATOM 445 OE1 GLN A 35 2.171 5.105 -11.376 1.00 0.00 O ATOM 446 NE2 GLN A 35 1.933 7.138 -10.618 1.00 0.00 N ATOM 0 H GLN A 35 -0.329 6.139 -8.738 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.902 6.233 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.096 4.123 -11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.446 4.874 -12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.358 6.264 -13.144 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.326 7.157 -11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.378 7.993 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.818 7.077 -10.115 1.00 0.00 H new ATOM 455 N CYS A 36 -2.715 3.957 -8.843 1.00 0.00 N ATOM 456 CA CYS A 36 -3.670 2.876 -8.472 1.00 0.00 C ATOM 457 C CYS A 36 -3.064 1.518 -8.826 1.00 0.00 C ATOM 458 O CYS A 36 -3.740 0.507 -8.827 1.00 0.00 O ATOM 459 CB CYS A 36 -4.985 3.061 -9.228 1.00 0.00 C ATOM 460 SG CYS A 36 -6.025 4.250 -8.348 1.00 0.00 S ATOM 0 H CYS A 36 -2.361 4.506 -8.060 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.865 2.922 -7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.788 3.414 -10.240 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.502 2.106 -9.318 1.00 0.00 H new ATOM 465 N LYS A 37 -1.794 1.485 -9.122 1.00 0.00 N ATOM 466 CA LYS A 37 -1.144 0.192 -9.471 1.00 0.00 C ATOM 467 C LYS A 37 -0.204 -0.223 -8.339 1.00 0.00 C ATOM 468 O LYS A 37 0.219 0.591 -7.543 1.00 0.00 O ATOM 469 CB LYS A 37 -0.341 0.355 -10.764 1.00 0.00 C ATOM 470 CG LYS A 37 -1.257 0.128 -11.968 1.00 0.00 C ATOM 471 CD LYS A 37 -0.529 0.541 -13.247 1.00 0.00 C ATOM 472 CE LYS A 37 -1.473 0.410 -14.444 1.00 0.00 C ATOM 473 NZ LYS A 37 -1.727 -1.032 -14.721 1.00 0.00 N ATOM 0 H LYS A 37 -1.179 2.298 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.908 -0.573 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.096 1.353 -10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.485 -0.356 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.548 -0.921 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.174 0.707 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.177 1.569 -13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.350 -0.086 -13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.413 0.923 -14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.035 0.888 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.196 -1.131 -15.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.824 -1.547 -14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.339 -1.426 -13.978 1.00 0.00 H new ATOM 487 N PHE A 38 0.134 -1.482 -8.265 1.00 0.00 N ATOM 488 CA PHE A 38 1.054 -1.939 -7.185 1.00 0.00 C ATOM 489 C PHE A 38 2.485 -1.562 -7.560 1.00 0.00 C ATOM 490 O PHE A 38 3.023 -2.047 -8.535 1.00 0.00 O ATOM 491 CB PHE A 38 0.970 -3.459 -7.039 1.00 0.00 C ATOM 492 CG PHE A 38 -0.223 -3.836 -6.194 1.00 0.00 C ATOM 493 CD1 PHE A 38 -0.498 -3.133 -5.016 1.00 0.00 C ATOM 494 CD2 PHE A 38 -1.047 -4.897 -6.586 1.00 0.00 C ATOM 495 CE1 PHE A 38 -1.601 -3.490 -4.231 1.00 0.00 C ATOM 496 CE2 PHE A 38 -2.148 -5.255 -5.800 1.00 0.00 C ATOM 497 CZ PHE A 38 -2.425 -4.552 -4.621 1.00 0.00 C ATOM 0 H PHE A 38 -0.186 -2.211 -8.903 1.00 0.00 H new ATOM 0 HA PHE A 38 0.769 -1.466 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.889 -3.922 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.884 -3.839 -6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.140 -2.316 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.833 -5.439 -7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.816 -2.945 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.784 -6.074 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.274 -4.829 -4.013 1.00 0.00 H new ATOM 507 N SER A 39 3.116 -0.714 -6.798 1.00 0.00 N ATOM 508 CA SER A 39 4.515 -0.340 -7.137 1.00 0.00 C ATOM 509 C SER A 39 5.367 -1.608 -7.126 1.00 0.00 C ATOM 510 O SER A 39 4.858 -2.703 -6.982 1.00 0.00 O ATOM 511 CB SER A 39 5.056 0.652 -6.107 1.00 0.00 C ATOM 512 OG SER A 39 3.976 1.394 -5.556 1.00 0.00 O ATOM 0 H SER A 39 2.729 -0.269 -5.966 1.00 0.00 H new ATOM 0 HA SER A 39 4.546 0.128 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.587 0.120 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.773 1.326 -6.576 1.00 0.00 H new ATOM 0 HG SER A 39 4.290 2.285 -5.297 1.00 0.00 H new ATOM 518 N ARG A 40 6.653 -1.482 -7.281 1.00 0.00 N ATOM 519 CA ARG A 40 7.511 -2.697 -7.282 1.00 0.00 C ATOM 520 C ARG A 40 8.041 -2.955 -5.869 1.00 0.00 C ATOM 521 O ARG A 40 8.121 -2.060 -5.051 1.00 0.00 O ATOM 522 CB ARG A 40 8.691 -2.493 -8.235 1.00 0.00 C ATOM 523 CG ARG A 40 8.189 -2.505 -9.680 1.00 0.00 C ATOM 524 CD ARG A 40 7.295 -1.290 -9.924 1.00 0.00 C ATOM 525 NE ARG A 40 7.199 -1.028 -11.388 1.00 0.00 N ATOM 526 CZ ARG A 40 6.035 -0.816 -11.938 1.00 0.00 C ATOM 527 NH1 ARG A 40 5.093 -1.714 -11.841 1.00 0.00 N ATOM 528 NH2 ARG A 40 5.812 0.293 -12.588 1.00 0.00 N ATOM 0 H ARG A 40 7.145 -0.597 -7.406 1.00 0.00 H new ATOM 0 HA ARG A 40 6.920 -3.552 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.187 -1.547 -8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.430 -3.281 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.034 -2.491 -10.369 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.634 -3.422 -9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.302 -1.467 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.703 -0.417 -9.414 1.00 0.00 H new ATOM 0 HE ARG A 40 8.043 -1.014 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.266 -2.582 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.183 -1.547 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.548 0.995 -12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.902 0.458 -13.018 1.00 0.00 H new ATOM 542 N ALA A 41 8.403 -4.175 -5.577 1.00 0.00 N ATOM 543 CA ALA A 41 8.930 -4.495 -4.222 1.00 0.00 C ATOM 544 C ALA A 41 10.331 -3.914 -4.072 1.00 0.00 C ATOM 545 O ALA A 41 10.939 -3.477 -5.027 1.00 0.00 O ATOM 546 CB ALA A 41 8.990 -6.012 -4.044 1.00 0.00 C ATOM 0 H ALA A 41 8.356 -4.965 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 41 8.273 -4.064 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.376 -6.247 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.990 -6.431 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.647 -6.441 -4.800 1.00 0.00 H new ATOM 552 N GLY A 42 10.848 -3.898 -2.876 1.00 0.00 N ATOM 553 CA GLY A 42 12.206 -3.333 -2.674 1.00 0.00 C ATOM 554 C GLY A 42 12.128 -1.826 -2.887 1.00 0.00 C ATOM 555 O GLY A 42 13.110 -1.178 -3.194 1.00 0.00 O ATOM 0 H GLY A 42 10.390 -4.250 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.566 -3.557 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.912 -3.780 -3.373 1.00 0.00 H new ATOM 559 N LYS A 43 10.959 -1.262 -2.738 1.00 0.00 N ATOM 560 CA LYS A 43 10.818 0.211 -2.948 1.00 0.00 C ATOM 561 C LYS A 43 10.733 0.918 -1.588 1.00 0.00 C ATOM 562 O LYS A 43 9.883 0.620 -0.779 1.00 0.00 O ATOM 563 CB LYS A 43 9.558 0.482 -3.802 1.00 0.00 C ATOM 564 CG LYS A 43 8.709 1.617 -3.204 1.00 0.00 C ATOM 565 CD LYS A 43 9.458 2.944 -3.343 1.00 0.00 C ATOM 566 CE LYS A 43 8.470 4.053 -3.705 1.00 0.00 C ATOM 567 NZ LYS A 43 9.218 5.240 -4.208 1.00 0.00 N ATOM 0 H LYS A 43 10.101 -1.751 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 43 11.686 0.602 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.854 0.743 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.959 -0.426 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.748 1.675 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.500 1.414 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.966 3.186 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.226 2.861 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.773 3.700 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.878 4.326 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.546 5.995 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.866 5.581 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.765 4.974 -5.052 1.00 0.00 H new ATOM 581 N ILE A 44 11.605 1.851 -1.337 1.00 0.00 N ATOM 582 CA ILE A 44 11.570 2.574 -0.034 1.00 0.00 C ATOM 583 C ILE A 44 10.171 3.160 0.196 1.00 0.00 C ATOM 584 O ILE A 44 9.904 4.303 -0.116 1.00 0.00 O ATOM 585 CB ILE A 44 12.599 3.702 -0.064 1.00 0.00 C ATOM 586 CG1 ILE A 44 12.412 4.608 1.155 1.00 0.00 C ATOM 587 CG2 ILE A 44 12.401 4.519 -1.335 1.00 0.00 C ATOM 588 CD1 ILE A 44 12.819 3.851 2.417 1.00 0.00 C ATOM 0 H ILE A 44 12.342 2.146 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 44 11.804 1.882 0.775 1.00 0.00 H new ATOM 0 HB ILE A 44 13.604 3.279 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.015 5.509 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.372 4.927 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.132 5.327 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.534 3.876 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.395 4.939 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.686 4.495 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.197 2.963 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.865 3.554 2.342 1.00 0.00 H new ATOM 600 N CYS A 45 9.278 2.379 0.740 1.00 0.00 N ATOM 601 CA CYS A 45 7.892 2.882 0.995 1.00 0.00 C ATOM 602 C CYS A 45 7.929 3.934 2.101 1.00 0.00 C ATOM 603 O CYS A 45 7.133 4.851 2.129 1.00 0.00 O ATOM 604 CB CYS A 45 6.980 1.728 1.434 1.00 0.00 C ATOM 605 SG CYS A 45 7.879 0.618 2.550 1.00 0.00 S ATOM 0 H CYS A 45 9.446 1.413 1.020 1.00 0.00 H new ATOM 0 HA CYS A 45 7.502 3.319 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.096 2.123 1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.632 1.176 0.561 1.00 0.00 H new ATOM 610 N ARG A 46 8.849 3.809 3.015 1.00 0.00 N ATOM 611 CA ARG A 46 8.939 4.800 4.124 1.00 0.00 C ATOM 612 C ARG A 46 10.345 4.767 4.722 1.00 0.00 C ATOM 613 O ARG A 46 11.079 3.813 4.554 1.00 0.00 O ATOM 614 CB ARG A 46 7.917 4.446 5.208 1.00 0.00 C ATOM 615 CG ARG A 46 7.487 5.719 5.941 1.00 0.00 C ATOM 616 CD ARG A 46 6.874 5.346 7.294 1.00 0.00 C ATOM 617 NE ARG A 46 5.539 5.994 7.428 1.00 0.00 N ATOM 618 CZ ARG A 46 4.498 5.280 7.759 1.00 0.00 C ATOM 619 NH1 ARG A 46 4.557 4.476 8.786 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.396 5.372 7.066 1.00 0.00 N ATOM 0 H ARG A 46 9.544 3.063 3.043 1.00 0.00 H new ATOM 0 HA ARG A 46 8.730 5.798 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.050 3.961 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.350 3.737 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.345 6.375 6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.763 6.270 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.775 4.264 7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.529 5.667 8.104 1.00 0.00 H new ATOM 0 HE ARG A 46 5.439 6.995 7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.417 4.406 9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.743 3.918 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.348 6.002 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.583 4.814 7.325 1.00 0.00 H new ATOM 634 N ILE A 47 10.729 5.801 5.419 1.00 0.00 N ATOM 635 CA ILE A 47 12.089 5.824 6.027 1.00 0.00 C ATOM 636 C ILE A 47 11.993 5.415 7.498 1.00 0.00 C ATOM 637 O ILE A 47 10.918 5.206 8.025 1.00 0.00 O ATOM 638 CB ILE A 47 12.673 7.236 5.913 1.00 0.00 C ATOM 639 CG1 ILE A 47 14.182 7.183 6.156 1.00 0.00 C ATOM 640 CG2 ILE A 47 12.022 8.154 6.952 1.00 0.00 C ATOM 641 CD1 ILE A 47 14.891 8.089 5.149 1.00 0.00 C ATOM 0 H ILE A 47 10.161 6.630 5.594 1.00 0.00 H new ATOM 0 HA ILE A 47 12.740 5.125 5.502 1.00 0.00 H new ATOM 0 HB ILE A 47 12.475 7.627 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.409 7.503 7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.542 6.159 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.442 9.156 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.947 8.195 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.214 7.765 7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.967 8.052 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.673 7.748 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.539 9.113 5.270 1.00 0.00 H new ATOM 653 N ALA A 48 13.107 5.296 8.168 1.00 0.00 N ATOM 654 CA ALA A 48 13.071 4.898 9.603 1.00 0.00 C ATOM 655 C ALA A 48 13.832 5.929 10.440 1.00 0.00 C ATOM 656 O ALA A 48 14.994 6.196 10.210 1.00 0.00 O ATOM 657 CB ALA A 48 13.723 3.524 9.767 1.00 0.00 C ATOM 0 H ALA A 48 14.038 5.457 7.784 1.00 0.00 H new ATOM 0 HA ALA A 48 12.036 4.852 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.697 3.232 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.179 2.790 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.758 3.570 9.429 1.00 0.00 H new ATOM 663 N ARG A 49 13.182 6.508 11.412 1.00 0.00 N ATOM 664 CA ARG A 49 13.863 7.520 12.267 1.00 0.00 C ATOM 665 C ARG A 49 14.709 6.806 13.321 1.00 0.00 C ATOM 666 O ARG A 49 14.193 6.164 14.214 1.00 0.00 O ATOM 667 CB ARG A 49 12.812 8.389 12.962 1.00 0.00 C ATOM 668 CG ARG A 49 11.945 7.514 13.867 1.00 0.00 C ATOM 669 CD ARG A 49 10.546 8.121 13.976 1.00 0.00 C ATOM 670 NE ARG A 49 10.403 8.810 15.289 1.00 0.00 N ATOM 671 CZ ARG A 49 10.627 8.155 16.397 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.672 7.453 16.944 1.00 0.00 N ATOM 673 NH2 ARG A 49 11.804 8.206 16.958 1.00 0.00 N ATOM 0 H ARG A 49 12.208 6.324 11.651 1.00 0.00 H new ATOM 0 HA ARG A 49 14.504 8.148 11.649 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.299 9.168 13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.191 8.891 12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.884 6.503 13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.397 7.435 14.856 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.381 8.828 13.163 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.791 7.341 13.879 1.00 0.00 H new ATOM 0 HE ARG A 49 10.130 9.792 15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.751 7.416 16.506 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.846 6.941 17.809 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.549 8.757 16.531 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.979 7.695 17.823 1.00 0.00 H new ATOM 687 N GLY A 50 16.005 6.910 13.226 1.00 0.00 N ATOM 688 CA GLY A 50 16.882 6.235 14.221 1.00 0.00 C ATOM 689 C GLY A 50 18.144 5.726 13.522 1.00 0.00 C ATOM 690 O GLY A 50 19.013 6.492 13.157 1.00 0.00 O ATOM 0 H GLY A 50 16.495 7.434 12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.149 6.930 15.017 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.351 5.405 14.687 1.00 0.00 H new ATOM 694 N ASP A 51 18.253 4.439 13.333 1.00 0.00 N ATOM 695 CA ASP A 51 19.462 3.888 12.658 1.00 0.00 C ATOM 696 C ASP A 51 19.303 2.378 12.466 1.00 0.00 C ATOM 697 O ASP A 51 20.133 1.599 12.890 1.00 0.00 O ATOM 698 CB ASP A 51 20.696 4.165 13.521 1.00 0.00 C ATOM 699 CG ASP A 51 21.547 5.254 12.865 1.00 0.00 C ATOM 700 OD1 ASP A 51 21.356 5.497 11.685 1.00 0.00 O ATOM 701 OD2 ASP A 51 22.373 5.827 13.555 1.00 0.00 O ATOM 0 H ASP A 51 17.559 3.747 13.616 1.00 0.00 H new ATOM 0 HA ASP A 51 19.581 4.364 11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 51 20.391 4.480 14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 51 21.282 3.253 13.639 1.00 0.00 H new ATOM 706 N TRP A 52 18.246 1.957 11.826 1.00 0.00 N ATOM 707 CA TRP A 52 18.043 0.496 11.604 1.00 0.00 C ATOM 708 C TRP A 52 17.876 0.229 10.105 1.00 0.00 C ATOM 709 O TRP A 52 18.841 0.104 9.379 1.00 0.00 O ATOM 710 CB TRP A 52 16.803 0.003 12.372 1.00 0.00 C ATOM 711 CG TRP A 52 15.932 1.160 12.766 1.00 0.00 C ATOM 712 CD1 TRP A 52 15.246 1.951 11.907 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.645 1.664 14.103 1.00 0.00 C ATOM 714 NE1 TRP A 52 14.554 2.904 12.633 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.768 2.769 13.990 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.053 1.272 15.391 1.00 0.00 C ATOM 717 CZ2 TRP A 52 14.313 3.460 15.114 1.00 0.00 C ATOM 718 CZ3 TRP A 52 15.599 1.966 16.524 1.00 0.00 C ATOM 719 CH2 TRP A 52 14.730 3.058 16.386 1.00 0.00 C ATOM 0 H TRP A 52 17.515 2.560 11.448 1.00 0.00 H new ATOM 0 HA TRP A 52 18.913 -0.046 11.974 1.00 0.00 H new ATOM 0 HB2 TRP A 52 16.236 -0.691 11.751 1.00 0.00 H new ATOM 0 HB3 TRP A 52 17.113 -0.545 13.262 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.240 1.854 10.831 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.958 3.619 12.216 1.00 0.00 H new ATOM 0 HE3 TRP A 52 16.720 0.431 15.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.643 4.300 15.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.921 1.657 17.508 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.384 3.587 17.261 1.00 0.00 H new ATOM 730 N ASN A 53 16.664 0.144 9.634 1.00 0.00 N ATOM 731 CA ASN A 53 16.443 -0.109 8.182 1.00 0.00 C ATOM 732 C ASN A 53 15.160 0.594 7.732 1.00 0.00 C ATOM 733 O ASN A 53 14.137 0.513 8.382 1.00 0.00 O ATOM 734 CB ASN A 53 16.310 -1.614 7.936 1.00 0.00 C ATOM 735 CG ASN A 53 16.895 -1.960 6.566 1.00 0.00 C ATOM 736 OD1 ASN A 53 16.328 -1.618 5.546 1.00 0.00 O ATOM 737 ND2 ASN A 53 18.013 -2.629 6.496 1.00 0.00 N ATOM 0 H ASN A 53 15.815 0.239 10.192 1.00 0.00 H new ATOM 0 HA ASN A 53 17.290 0.277 7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 53 16.831 -2.168 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.262 -1.909 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 53 18.410 -2.864 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 53 18.490 -2.916 7.351 1.00 0.00 H new ATOM 744 N ASP A 54 15.206 1.282 6.624 1.00 0.00 N ATOM 745 CA ASP A 54 13.989 1.989 6.134 1.00 0.00 C ATOM 746 C ASP A 54 12.877 0.967 5.879 1.00 0.00 C ATOM 747 O ASP A 54 12.765 -0.025 6.573 1.00 0.00 O ATOM 748 CB ASP A 54 14.318 2.723 4.832 1.00 0.00 C ATOM 749 CG ASP A 54 15.637 3.480 4.994 1.00 0.00 C ATOM 750 OD1 ASP A 54 16.158 3.495 6.098 1.00 0.00 O ATOM 751 OD2 ASP A 54 16.105 4.032 4.011 1.00 0.00 O ATOM 0 H ASP A 54 16.034 1.385 6.037 1.00 0.00 H new ATOM 0 HA ASP A 54 13.657 2.709 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.393 2.011 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.516 3.417 4.581 1.00 0.00 H new ATOM 756 N ASP A 55 12.055 1.195 4.891 1.00 0.00 N ATOM 757 CA ASP A 55 10.959 0.232 4.601 1.00 0.00 C ATOM 758 C ASP A 55 10.917 -0.055 3.099 1.00 0.00 C ATOM 759 O ASP A 55 10.765 0.839 2.289 1.00 0.00 O ATOM 760 CB ASP A 55 9.621 0.823 5.051 1.00 0.00 C ATOM 761 CG ASP A 55 9.652 1.071 6.559 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.731 0.102 7.297 1.00 0.00 O ATOM 763 OD2 ASP A 55 9.599 2.224 6.953 1.00 0.00 O ATOM 0 H ASP A 55 12.096 2.006 4.274 1.00 0.00 H new ATOM 0 HA ASP A 55 11.140 -0.697 5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.428 1.757 4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.808 0.141 4.801 1.00 0.00 H new ATOM 768 N ARG A 56 11.055 -1.295 2.723 1.00 0.00 N ATOM 769 CA ARG A 56 11.029 -1.649 1.277 1.00 0.00 C ATOM 770 C ARG A 56 9.614 -2.067 0.878 1.00 0.00 C ATOM 771 O ARG A 56 8.961 -2.829 1.562 1.00 0.00 O ATOM 772 CB ARG A 56 11.992 -2.810 1.025 1.00 0.00 C ATOM 773 CG ARG A 56 13.428 -2.347 1.278 1.00 0.00 C ATOM 774 CD ARG A 56 14.032 -1.812 -0.023 1.00 0.00 C ATOM 775 NE ARG A 56 15.484 -1.537 0.180 1.00 0.00 N ATOM 776 CZ ARG A 56 15.870 -0.752 1.148 1.00 0.00 C ATOM 777 NH1 ARG A 56 15.788 -1.156 2.387 1.00 0.00 N ATOM 778 NH2 ARG A 56 16.335 0.438 0.879 1.00 0.00 N ATOM 0 H ARG A 56 11.185 -2.082 3.358 1.00 0.00 H new ATOM 0 HA ARG A 56 11.332 -0.786 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.748 -3.647 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.889 -3.166 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.441 -1.571 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.027 -3.176 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.897 -2.538 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.517 -0.901 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 56 16.175 -1.963 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.422 -2.085 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.090 -0.543 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.397 0.755 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.636 1.051 1.636 1.00 0.00 H new ATOM 792 N CYS A 57 9.143 -1.576 -0.233 1.00 0.00 N ATOM 793 CA CYS A 57 7.780 -1.939 -0.694 1.00 0.00 C ATOM 794 C CYS A 57 7.758 -3.422 -1.025 1.00 0.00 C ATOM 795 O CYS A 57 8.744 -3.966 -1.486 1.00 0.00 O ATOM 796 CB CYS A 57 7.440 -1.142 -1.952 1.00 0.00 C ATOM 797 SG CYS A 57 5.869 -0.278 -1.718 1.00 0.00 S ATOM 0 H CYS A 57 9.649 -0.935 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 57 7.052 -1.715 0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.233 -0.425 -2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.375 -1.810 -2.811 1.00 0.00 H new ATOM 802 N THR A 58 6.644 -4.071 -0.793 1.00 0.00 N ATOM 803 CA THR A 58 6.536 -5.528 -1.088 1.00 0.00 C ATOM 804 C THR A 58 6.342 -5.739 -2.591 1.00 0.00 C ATOM 805 O THR A 58 6.719 -6.756 -3.138 1.00 0.00 O ATOM 806 CB THR A 58 5.336 -6.112 -0.339 1.00 0.00 C ATOM 807 OG1 THR A 58 4.601 -5.058 0.270 1.00 0.00 O ATOM 808 CG2 THR A 58 5.827 -7.084 0.734 1.00 0.00 C ATOM 0 H THR A 58 5.799 -3.648 -0.409 1.00 0.00 H new ATOM 0 HA THR A 58 7.450 -6.027 -0.766 1.00 0.00 H new ATOM 0 HB THR A 58 4.693 -6.644 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.143 -5.397 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.972 -7.500 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.389 -7.891 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.471 -6.555 1.437 1.00 0.00 H new ATOM 816 N GLY A 59 5.756 -4.786 -3.262 1.00 0.00 N ATOM 817 CA GLY A 59 5.540 -4.934 -4.730 1.00 0.00 C ATOM 818 C GLY A 59 4.201 -5.629 -4.991 1.00 0.00 C ATOM 819 O GLY A 59 3.592 -5.450 -6.027 1.00 0.00 O ATOM 0 H GLY A 59 5.418 -3.912 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.551 -3.955 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.352 -5.513 -5.170 1.00 0.00 H new ATOM 823 N GLN A 60 3.736 -6.422 -4.065 1.00 0.00 N ATOM 824 CA GLN A 60 2.438 -7.125 -4.272 1.00 0.00 C ATOM 825 C GLN A 60 1.398 -6.572 -3.295 1.00 0.00 C ATOM 826 O GLN A 60 0.249 -6.968 -3.309 1.00 0.00 O ATOM 827 CB GLN A 60 2.624 -8.624 -4.025 1.00 0.00 C ATOM 828 CG GLN A 60 3.493 -9.221 -5.134 1.00 0.00 C ATOM 829 CD GLN A 60 3.490 -10.747 -5.018 1.00 0.00 C ATOM 830 OE1 GLN A 60 2.578 -11.402 -5.485 1.00 0.00 O ATOM 831 NE2 GLN A 60 4.478 -11.346 -4.412 1.00 0.00 N ATOM 0 H GLN A 60 4.197 -6.613 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 60 2.097 -6.965 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.092 -8.788 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.655 -9.122 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.114 -8.919 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.512 -8.842 -5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.243 -10.798 -4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.485 -12.363 -4.330 1.00 0.00 H new ATOM 840 N SER A 61 1.789 -5.660 -2.448 1.00 0.00 N ATOM 841 CA SER A 61 0.817 -5.088 -1.472 1.00 0.00 C ATOM 842 C SER A 61 0.661 -3.587 -1.725 1.00 0.00 C ATOM 843 O SER A 61 1.599 -2.909 -2.094 1.00 0.00 O ATOM 844 CB SER A 61 1.330 -5.318 -0.050 1.00 0.00 C ATOM 845 OG SER A 61 1.203 -6.695 0.278 1.00 0.00 O ATOM 0 H SER A 61 2.736 -5.287 -2.389 1.00 0.00 H new ATOM 0 HA SER A 61 -0.150 -5.576 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.372 -5.009 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.764 -4.710 0.656 1.00 0.00 H new ATOM 0 HG SER A 61 1.533 -6.846 1.188 1.00 0.00 H new ATOM 851 N ALA A 62 -0.518 -3.062 -1.527 1.00 0.00 N ATOM 852 CA ALA A 62 -0.730 -1.605 -1.754 1.00 0.00 C ATOM 853 C ALA A 62 -0.025 -0.815 -0.654 1.00 0.00 C ATOM 854 O ALA A 62 0.700 0.119 -0.918 1.00 0.00 O ATOM 855 CB ALA A 62 -2.225 -1.289 -1.722 1.00 0.00 C ATOM 0 H ALA A 62 -1.342 -3.579 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.323 -1.329 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.375 -0.222 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.733 -1.853 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.635 -1.566 -0.751 1.00 0.00 H new ATOM 861 N ASP A 63 -0.230 -1.184 0.578 1.00 0.00 N ATOM 862 CA ASP A 63 0.437 -0.451 1.685 1.00 0.00 C ATOM 863 C ASP A 63 1.881 -0.939 1.802 1.00 0.00 C ATOM 864 O ASP A 63 2.378 -1.642 0.945 1.00 0.00 O ATOM 865 CB ASP A 63 -0.308 -0.715 2.995 1.00 0.00 C ATOM 866 CG ASP A 63 -1.811 -0.533 2.772 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.172 0.313 1.971 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.574 -1.241 3.407 1.00 0.00 O ATOM 0 H ASP A 63 -0.828 -1.959 0.865 1.00 0.00 H new ATOM 0 HA ASP A 63 0.428 0.620 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.101 -1.726 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.041 -0.031 3.769 1.00 0.00 H new ATOM 873 N CYS A 64 2.561 -0.570 2.847 1.00 0.00 N ATOM 874 CA CYS A 64 3.973 -1.013 3.004 1.00 0.00 C ATOM 875 C CYS A 64 4.133 -1.744 4.334 1.00 0.00 C ATOM 876 O CYS A 64 3.529 -1.383 5.324 1.00 0.00 O ATOM 877 CB CYS A 64 4.899 0.214 2.934 1.00 0.00 C ATOM 878 SG CYS A 64 6.465 -0.112 3.791 1.00 0.00 S ATOM 0 H CYS A 64 2.202 0.018 3.599 1.00 0.00 H new ATOM 0 HA CYS A 64 4.243 -1.699 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 64 5.095 0.468 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.405 1.075 3.385 1.00 0.00 H new ATOM 883 N PRO A 65 4.956 -2.757 4.301 1.00 0.00 N ATOM 884 CA PRO A 65 5.241 -3.578 5.478 1.00 0.00 C ATOM 885 C PRO A 65 6.222 -2.844 6.395 1.00 0.00 C ATOM 886 O PRO A 65 6.756 -1.811 6.041 1.00 0.00 O ATOM 887 CB PRO A 65 5.872 -4.837 4.883 1.00 0.00 C ATOM 888 CG PRO A 65 6.421 -4.452 3.494 1.00 0.00 C ATOM 889 CD PRO A 65 5.683 -3.176 3.079 1.00 0.00 C ATOM 0 HA PRO A 65 4.363 -3.800 6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.671 -5.208 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.135 -5.635 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.497 -4.283 3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.251 -5.252 2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.378 -2.405 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.997 -3.364 2.253 1.00 0.00 H new ATOM 897 N ARG A 66 6.460 -3.353 7.571 1.00 0.00 N ATOM 898 CA ARG A 66 7.404 -2.657 8.493 1.00 0.00 C ATOM 899 C ARG A 66 8.471 -3.630 8.987 1.00 0.00 C ATOM 900 O ARG A 66 8.375 -4.828 8.806 1.00 0.00 O ATOM 901 CB ARG A 66 6.650 -2.093 9.708 1.00 0.00 C ATOM 902 CG ARG A 66 5.138 -2.142 9.467 1.00 0.00 C ATOM 903 CD ARG A 66 4.431 -1.222 10.463 1.00 0.00 C ATOM 904 NE ARG A 66 3.437 -2.009 11.245 1.00 0.00 N ATOM 905 CZ ARG A 66 3.842 -2.937 12.067 1.00 0.00 C ATOM 906 NH1 ARG A 66 4.672 -2.639 13.029 1.00 0.00 N ATOM 907 NH2 ARG A 66 3.419 -4.163 11.928 1.00 0.00 N ATOM 0 H ARG A 66 6.047 -4.213 7.933 1.00 0.00 H new ATOM 0 HA ARG A 66 7.874 -1.841 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.902 -2.668 10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.962 -1.065 9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.912 -1.833 8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.774 -3.164 9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.159 -0.766 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.933 -0.410 9.934 1.00 0.00 H new ATOM 0 HE ARG A 66 2.440 -1.822 11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.004 -1.681 13.138 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.989 -3.364 13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.771 -4.397 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.736 -4.888 12.571 1.00 0.00 H new ATOM 921 N ASN A 67 9.484 -3.113 9.619 1.00 0.00 N ATOM 922 CA ASN A 67 10.570 -3.978 10.148 1.00 0.00 C ATOM 923 C ASN A 67 10.218 -4.381 11.585 1.00 0.00 C ATOM 924 O ASN A 67 9.336 -3.800 12.185 1.00 0.00 O ATOM 925 CB ASN A 67 11.880 -3.184 10.129 1.00 0.00 C ATOM 926 CG ASN A 67 11.768 -1.993 11.082 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.009 -1.074 10.840 1.00 0.00 O ATOM 928 ND2 ASN A 67 12.498 -1.968 12.163 1.00 0.00 N ATOM 0 H ASN A 67 9.607 -2.116 9.793 1.00 0.00 H new ATOM 0 HA ASN A 67 10.683 -4.875 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.710 -3.825 10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.092 -2.836 9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.432 -1.178 12.805 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.135 -2.739 12.366 1.00 0.00 H new ATOM 935 N PRO A 68 10.915 -5.363 12.098 1.00 0.00 N ATOM 936 CA PRO A 68 10.695 -5.864 13.469 1.00 0.00 C ATOM 937 C PRO A 68 11.372 -4.954 14.504 1.00 0.00 C ATOM 938 O PRO A 68 11.697 -5.381 15.594 1.00 0.00 O ATOM 939 CB PRO A 68 11.352 -7.249 13.447 1.00 0.00 C ATOM 940 CG PRO A 68 12.370 -7.241 12.285 1.00 0.00 C ATOM 941 CD PRO A 68 11.983 -6.072 11.363 1.00 0.00 C ATOM 0 HA PRO A 68 9.642 -5.894 13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.849 -7.456 14.395 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.605 -8.029 13.301 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.385 -7.117 12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.345 -8.186 11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.834 -5.419 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.630 -6.429 10.395 1.00 0.00 H new ATOM 949 N TRP A 69 11.596 -3.711 14.172 1.00 0.00 N ATOM 950 CA TRP A 69 12.261 -2.788 15.139 1.00 0.00 C ATOM 951 C TRP A 69 11.552 -1.428 15.162 1.00 0.00 C ATOM 952 O TRP A 69 11.857 -0.579 15.974 1.00 0.00 O ATOM 953 CB TRP A 69 13.724 -2.611 14.722 1.00 0.00 C ATOM 954 CG TRP A 69 14.240 -3.932 14.254 1.00 0.00 C ATOM 955 CD1 TRP A 69 14.174 -5.074 14.971 1.00 0.00 C ATOM 956 CD2 TRP A 69 14.872 -4.281 12.988 1.00 0.00 C ATOM 957 NE1 TRP A 69 14.729 -6.099 14.235 1.00 0.00 N ATOM 958 CE2 TRP A 69 15.174 -5.663 13.007 1.00 0.00 C ATOM 959 CE3 TRP A 69 15.214 -3.545 11.838 1.00 0.00 C ATOM 960 CZ2 TRP A 69 15.788 -6.294 11.930 1.00 0.00 C ATOM 961 CZ3 TRP A 69 15.832 -4.181 10.749 1.00 0.00 C ATOM 962 CH2 TRP A 69 16.118 -5.552 10.798 1.00 0.00 C ATOM 0 H TRP A 69 11.348 -3.294 13.275 1.00 0.00 H new ATOM 0 HA TRP A 69 12.208 -3.213 16.141 1.00 0.00 H new ATOM 0 HB2 TRP A 69 13.806 -1.868 13.928 1.00 0.00 H new ATOM 0 HB3 TRP A 69 14.317 -2.247 15.561 1.00 0.00 H new ATOM 0 HD1 TRP A 69 13.754 -5.169 15.961 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.801 -7.063 14.560 1.00 0.00 H new ATOM 0 HE3 TRP A 69 15.000 -2.487 11.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 16.007 -7.351 11.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 16.088 -3.610 9.869 1.00 0.00 H new ATOM 0 HH2 TRP A 69 16.595 -6.034 9.957 1.00 0.00 H new ATOM 973 N ASN A 70 10.612 -1.210 14.282 1.00 0.00 N ATOM 974 CA ASN A 70 9.898 0.098 14.269 1.00 0.00 C ATOM 975 C ASN A 70 8.676 0.020 15.184 1.00 0.00 C ATOM 976 O ASN A 70 7.741 -0.712 14.927 1.00 0.00 O ATOM 977 CB ASN A 70 9.446 0.421 12.843 1.00 0.00 C ATOM 978 CG ASN A 70 10.352 1.503 12.252 1.00 0.00 C ATOM 979 OD1 ASN A 70 10.988 2.240 12.978 1.00 0.00 O ATOM 980 ND2 ASN A 70 10.436 1.631 10.956 1.00 0.00 N ATOM 0 H ASN A 70 10.309 -1.879 13.574 1.00 0.00 H new ATOM 0 HA ASN A 70 10.569 0.881 14.623 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.484 -0.477 12.226 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.410 0.761 12.847 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.036 2.350 10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.902 1.012 10.347 1.00 0.00 H new ATOM 987 N GLY A 71 8.674 0.768 16.253 1.00 0.00 N ATOM 988 CA GLY A 71 7.510 0.734 17.182 1.00 0.00 C ATOM 989 C GLY A 71 7.165 2.159 17.621 1.00 0.00 C ATOM 990 O GLY A 71 8.074 2.876 18.004 1.00 0.00 O ATOM 991 OXT GLY A 71 5.997 2.508 17.566 1.00 0.00 O ATOM 0 H GLY A 71 9.427 1.401 16.523 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.652 0.276 16.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.744 0.121 18.052 1.00 0.00 H new TER 995 GLY A 71