USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 6 LYS NZ :NH3+ 152:sc= 0.191 (180deg=0.00622) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00273) USER MOD Single : A 35 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.1) USER MOD Single : A 37 TYR OH : rot -142:sc= 1.44 USER MOD Single : A 38 LYS NZ :NH3+ -122:sc= 0.664 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0189 (180deg=-0.206) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -1.42 (180deg=-2.35!) USER MOD Single : A 51 ASN : amide:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 52 TYR OH : rot -24:sc= 1.18 USER MOD Single : A 55 MET CE :methyl 149:sc= -0.353 (180deg=-1.34!) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 6.192 -0.630 -0.595 1.00 0.00 N ATOM 34 CA ALA A 3 4.997 -1.422 -0.755 1.00 0.00 C ATOM 35 C ALA A 3 4.958 -1.943 -2.176 1.00 0.00 C ATOM 36 O ALA A 3 5.613 -1.450 -3.087 1.00 0.00 O ATOM 37 CB ALA A 3 3.843 -0.456 -0.550 1.00 0.00 C ATOM 0 HA ALA A 3 4.954 -2.263 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.899 -0.989 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.904 -0.023 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.897 0.339 -1.294 1.00 0.00 H new ATOM 43 N ILE A 4 4.127 -2.998 -2.255 1.00 0.00 N ATOM 44 CA ILE A 4 3.970 -3.712 -3.498 1.00 0.00 C ATOM 45 C ILE A 4 2.533 -4.234 -3.608 1.00 0.00 C ATOM 46 O ILE A 4 2.109 -5.096 -2.837 1.00 0.00 O ATOM 47 CB ILE A 4 4.939 -4.922 -3.367 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.429 -4.508 -3.331 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.732 -6.017 -4.433 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.401 -5.696 -3.291 1.00 0.00 C ATOM 0 H ILE A 4 3.571 -3.356 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 4 4.175 -3.091 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 4 4.674 -5.353 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.649 -3.900 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.601 -3.880 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.447 -6.823 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.718 -6.410 -4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.884 -5.592 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.426 -5.327 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.210 -6.293 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.258 -6.313 -4.178 1.00 0.00 H new ATOM 62 N ALA A 5 1.821 -3.696 -4.621 1.00 0.00 N ATOM 63 CA ALA A 5 0.476 -4.180 -4.873 1.00 0.00 C ATOM 64 C ALA A 5 0.623 -5.621 -5.395 1.00 0.00 C ATOM 65 O ALA A 5 1.273 -5.861 -6.409 1.00 0.00 O ATOM 66 CB ALA A 5 -0.137 -3.294 -5.960 1.00 0.00 C ATOM 0 H ALA A 5 2.149 -2.959 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.155 -4.156 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.151 -3.631 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.163 -2.260 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.466 -3.359 -6.865 1.00 0.00 H new ATOM 72 N LYS A 6 -0.072 -6.536 -4.708 1.00 0.00 N ATOM 73 CA LYS A 6 -0.037 -7.960 -5.058 1.00 0.00 C ATOM 74 C LYS A 6 -1.191 -8.398 -5.958 1.00 0.00 C ATOM 75 O LYS A 6 -1.089 -9.402 -6.653 1.00 0.00 O ATOM 76 CB LYS A 6 -0.092 -8.791 -3.780 1.00 0.00 C ATOM 77 CG LYS A 6 1.135 -8.543 -2.916 1.00 0.00 C ATOM 78 CD LYS A 6 1.802 -9.847 -2.469 1.00 0.00 C ATOM 79 CE LYS A 6 1.113 -10.462 -1.246 1.00 0.00 C ATOM 80 NZ LYS A 6 1.996 -11.377 -0.528 1.00 0.00 N ATOM 0 H LYS A 6 -0.665 -6.315 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 6 0.889 -8.118 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.993 -8.542 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.156 -9.849 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.854 -7.942 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.848 -7.964 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.784 -10.562 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.849 -9.656 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.789 -9.667 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.217 -10.996 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.727 -11.403 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.911 -12.331 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.979 -11.050 -0.615 1.00 0.00 H new ATOM 94 N TYR A 7 -2.285 -7.620 -5.895 1.00 0.00 N ATOM 95 CA TYR A 7 -3.458 -7.956 -6.722 1.00 0.00 C ATOM 96 C TYR A 7 -4.031 -6.642 -7.240 1.00 0.00 C ATOM 97 O TYR A 7 -3.611 -5.563 -6.842 1.00 0.00 O ATOM 98 CB TYR A 7 -4.552 -8.739 -5.933 1.00 0.00 C ATOM 99 CG TYR A 7 -4.102 -10.104 -5.494 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.254 -10.212 -4.401 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.497 -11.246 -6.188 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.727 -11.443 -4.028 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.015 -12.484 -5.816 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.119 -12.602 -4.755 1.00 0.00 C ATOM 105 OH TYR A 7 -2.734 -13.928 -4.550 1.00 0.00 O ATOM 0 H TYR A 7 -2.383 -6.791 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.144 -8.612 -7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.843 -8.160 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.440 -8.840 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.000 -9.329 -3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.182 -11.162 -7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.034 -11.518 -3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.334 -13.367 -6.350 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.173 -14.502 -5.212 1.00 0.00 H new ATOM 115 N ASP A 8 -4.970 -6.800 -8.202 1.00 0.00 N ATOM 116 CA ASP A 8 -5.609 -5.609 -8.779 1.00 0.00 C ATOM 117 C ASP A 8 -6.499 -4.960 -7.716 1.00 0.00 C ATOM 118 O ASP A 8 -6.918 -5.616 -6.778 1.00 0.00 O ATOM 119 CB ASP A 8 -6.418 -5.939 -10.043 1.00 0.00 C ATOM 120 CG ASP A 8 -7.522 -6.985 -9.795 1.00 0.00 C ATOM 121 OD1 ASP A 8 -8.567 -6.622 -9.257 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.319 -8.146 -10.146 1.00 0.00 O ATOM 0 H ASP A 8 -5.286 -7.695 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.829 -4.912 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.871 -5.025 -10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.742 -6.308 -10.814 1.00 0.00 H new ATOM 127 N PHE A 9 -6.656 -3.628 -7.825 1.00 0.00 N ATOM 128 CA PHE A 9 -7.589 -2.992 -6.880 1.00 0.00 C ATOM 129 C PHE A 9 -8.264 -1.792 -7.557 1.00 0.00 C ATOM 130 O PHE A 9 -7.635 -0.940 -8.164 1.00 0.00 O ATOM 131 CB PHE A 9 -6.937 -2.665 -5.516 1.00 0.00 C ATOM 132 CG PHE A 9 -7.971 -2.505 -4.429 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.659 -3.650 -4.032 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.310 -1.264 -3.871 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.714 -3.574 -3.143 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.372 -1.189 -2.961 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.083 -2.345 -2.615 1.00 0.00 C ATOM 0 H PHE A 9 -6.193 -3.015 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.372 -3.706 -6.624 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.243 -3.460 -5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.354 -1.748 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.363 -4.611 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.758 -0.376 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.250 -4.468 -2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.643 -0.239 -2.526 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.920 -2.280 -1.936 1.00 0.00 H new ATOM 147 N LYS A 10 -9.595 -1.782 -7.427 1.00 0.00 N ATOM 148 CA LYS A 10 -10.432 -0.710 -7.983 1.00 0.00 C ATOM 149 C LYS A 10 -11.254 -0.142 -6.790 1.00 0.00 C ATOM 150 O LYS A 10 -12.239 -0.749 -6.389 1.00 0.00 O ATOM 151 CB LYS A 10 -11.309 -1.326 -9.123 1.00 0.00 C ATOM 152 CG LYS A 10 -10.834 -0.887 -10.519 1.00 0.00 C ATOM 153 CD LYS A 10 -11.294 0.567 -10.762 1.00 0.00 C ATOM 154 CE LYS A 10 -12.718 0.705 -11.407 1.00 0.00 C ATOM 155 NZ LYS A 10 -13.328 1.929 -10.905 1.00 0.00 N ATOM 0 H LYS A 10 -10.119 -2.508 -6.939 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.871 0.109 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.279 -2.413 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.348 -1.026 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.748 -0.957 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.245 -1.547 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.288 1.099 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.568 1.060 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.642 0.736 -12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.335 -0.158 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.275 2.041 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.408 1.877 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.737 2.744 -11.166 1.00 0.00 H new ATOM 169 N ALA A 11 -10.816 1.060 -6.286 1.00 0.00 N ATOM 170 CA ALA A 11 -11.444 1.738 -5.124 1.00 0.00 C ATOM 171 C ALA A 11 -12.973 1.800 -5.197 1.00 0.00 C ATOM 172 O ALA A 11 -13.582 1.756 -6.261 1.00 0.00 O ATOM 173 CB ALA A 11 -10.923 3.176 -4.923 1.00 0.00 C ATOM 0 H ALA A 11 -10.025 1.572 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.157 1.114 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.416 3.624 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.846 3.153 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.138 3.769 -5.812 1.00 0.00 H new ATOM 179 N THR A 12 -13.533 1.890 -3.963 1.00 0.00 N ATOM 180 CA THR A 12 -14.983 1.918 -3.789 1.00 0.00 C ATOM 181 C THR A 12 -15.481 3.284 -3.289 1.00 0.00 C ATOM 182 O THR A 12 -16.669 3.576 -3.372 1.00 0.00 O ATOM 183 CB THR A 12 -15.429 0.837 -2.777 1.00 0.00 C ATOM 184 OG1 THR A 12 -15.143 1.456 -1.463 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.761 -0.510 -3.207 1.00 0.00 C ATOM 0 H THR A 12 -13.000 1.943 -3.095 1.00 0.00 H new ATOM 0 HA THR A 12 -15.417 1.724 -4.770 1.00 0.00 H new ATOM 0 HB THR A 12 -16.477 0.542 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.931 0.756 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.054 -1.299 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.086 -0.772 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.677 -0.399 -3.194 1.00 0.00 H new ATOM 193 N ALA A 13 -14.519 4.090 -2.790 1.00 0.00 N ATOM 194 CA ALA A 13 -14.911 5.388 -2.255 1.00 0.00 C ATOM 195 C ALA A 13 -13.756 6.376 -2.381 1.00 0.00 C ATOM 196 O ALA A 13 -12.598 6.030 -2.569 1.00 0.00 O ATOM 197 CB ALA A 13 -15.362 5.223 -0.788 1.00 0.00 C ATOM 0 H ALA A 13 -13.523 3.873 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.749 5.787 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.656 6.193 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.210 4.540 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.539 4.820 -0.198 1.00 0.00 H new ATOM 203 N ASP A 14 -14.193 7.638 -2.244 1.00 0.00 N ATOM 204 CA ASP A 14 -13.357 8.820 -2.375 1.00 0.00 C ATOM 205 C ASP A 14 -12.066 8.814 -1.521 1.00 0.00 C ATOM 206 O ASP A 14 -11.036 9.305 -1.973 1.00 0.00 O ATOM 207 CB ASP A 14 -14.270 10.011 -2.051 1.00 0.00 C ATOM 208 CG ASP A 14 -13.699 11.346 -2.573 1.00 0.00 C ATOM 209 OD1 ASP A 14 -12.706 11.827 -2.029 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.260 11.891 -3.522 1.00 0.00 O ATOM 0 H ASP A 14 -15.166 7.860 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.958 8.869 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.253 9.842 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.410 10.076 -0.972 1.00 0.00 H new ATOM 215 N ASP A 15 -12.138 8.204 -0.309 1.00 0.00 N ATOM 216 CA ASP A 15 -10.948 8.239 0.567 1.00 0.00 C ATOM 217 C ASP A 15 -9.963 7.069 0.356 1.00 0.00 C ATOM 218 O ASP A 15 -8.895 7.009 0.948 1.00 0.00 O ATOM 219 CB ASP A 15 -11.423 8.333 2.022 1.00 0.00 C ATOM 220 CG ASP A 15 -12.112 7.086 2.601 1.00 0.00 C ATOM 221 OD1 ASP A 15 -13.018 6.552 1.961 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.738 6.678 3.700 1.00 0.00 O ATOM 0 H ASP A 15 -12.952 7.714 0.062 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.365 9.120 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.562 8.568 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.114 9.172 2.102 1.00 0.00 H new ATOM 227 N GLU A 16 -10.359 6.218 -0.594 1.00 0.00 N ATOM 228 CA GLU A 16 -9.586 5.067 -1.044 1.00 0.00 C ATOM 229 C GLU A 16 -9.046 5.430 -2.439 1.00 0.00 C ATOM 230 O GLU A 16 -9.593 6.294 -3.127 1.00 0.00 O ATOM 231 CB GLU A 16 -10.462 3.796 -1.173 1.00 0.00 C ATOM 232 CG GLU A 16 -10.590 2.925 0.088 1.00 0.00 C ATOM 233 CD GLU A 16 -11.304 3.562 1.279 1.00 0.00 C ATOM 234 OE1 GLU A 16 -10.822 4.567 1.786 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.335 3.038 1.697 1.00 0.00 O ATOM 0 H GLU A 16 -11.250 6.317 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.797 4.850 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.462 4.100 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.055 3.180 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.120 2.011 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.589 2.632 0.405 1.00 0.00 H new ATOM 242 N LEU A 17 -7.973 4.702 -2.838 1.00 0.00 N ATOM 243 CA LEU A 17 -7.399 4.978 -4.152 1.00 0.00 C ATOM 244 C LEU A 17 -7.090 3.611 -4.842 1.00 0.00 C ATOM 245 O LEU A 17 -6.869 2.600 -4.185 1.00 0.00 O ATOM 246 CB LEU A 17 -6.148 5.883 -4.039 1.00 0.00 C ATOM 247 CG LEU A 17 -4.811 5.149 -3.836 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.079 5.154 -5.181 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.868 5.766 -2.817 1.00 0.00 C ATOM 0 H LEU A 17 -7.519 3.965 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.108 5.533 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.076 6.487 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.294 6.571 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.067 4.160 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.123 4.641 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.686 4.642 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.906 6.183 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.958 5.169 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.615 6.781 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.353 5.792 -1.841 1.00 0.00 H new ATOM 261 N SER A 18 -7.063 3.684 -6.185 1.00 0.00 N ATOM 262 CA SER A 18 -6.842 2.531 -7.068 1.00 0.00 C ATOM 263 C SER A 18 -5.324 2.194 -7.268 1.00 0.00 C ATOM 264 O SER A 18 -4.416 2.966 -6.986 1.00 0.00 O ATOM 265 CB SER A 18 -7.410 2.890 -8.452 1.00 0.00 C ATOM 266 OG SER A 18 -8.925 2.788 -8.457 1.00 0.00 O ATOM 0 H SER A 18 -7.196 4.559 -6.692 1.00 0.00 H new ATOM 0 HA SER A 18 -7.324 1.667 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.108 3.902 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.994 2.221 -9.205 1.00 0.00 H new ATOM 0 HG SER A 18 -9.266 3.022 -9.346 1.00 0.00 H new ATOM 272 N PHE A 19 -5.166 0.961 -7.773 1.00 0.00 N ATOM 273 CA PHE A 19 -3.880 0.403 -8.193 1.00 0.00 C ATOM 274 C PHE A 19 -4.173 -0.835 -9.047 1.00 0.00 C ATOM 275 O PHE A 19 -5.307 -1.249 -9.225 1.00 0.00 O ATOM 276 CB PHE A 19 -2.883 0.093 -7.053 1.00 0.00 C ATOM 277 CG PHE A 19 -3.416 -0.794 -5.957 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.083 -0.248 -4.866 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.210 -2.171 -6.012 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.522 -1.070 -3.843 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.628 -2.982 -4.975 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.281 -2.435 -3.888 1.00 0.00 C ATOM 0 H PHE A 19 -5.945 0.315 -7.902 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.359 1.171 -8.765 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.000 -0.379 -7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.558 1.035 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.258 0.817 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.721 -2.607 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.055 -0.646 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.444 -4.045 -5.014 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.603 -3.069 -3.075 1.00 0.00 H new ATOM 292 N LYS A 20 -3.077 -1.347 -9.621 1.00 0.00 N ATOM 293 CA LYS A 20 -3.162 -2.536 -10.447 1.00 0.00 C ATOM 294 C LYS A 20 -2.034 -3.427 -9.954 1.00 0.00 C ATOM 295 O LYS A 20 -1.013 -2.952 -9.473 1.00 0.00 O ATOM 296 CB LYS A 20 -2.917 -2.203 -11.928 1.00 0.00 C ATOM 297 CG LYS A 20 -4.003 -1.327 -12.583 1.00 0.00 C ATOM 298 CD LYS A 20 -3.413 -0.302 -13.566 1.00 0.00 C ATOM 299 CE LYS A 20 -3.262 1.080 -12.922 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.441 1.978 -13.725 1.00 0.00 N ATOM 0 H LYS A 20 -2.139 -0.957 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.147 -2.998 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.957 -1.694 -12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.837 -3.135 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.712 -1.965 -13.110 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.561 -0.803 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.440 -0.650 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.056 -0.227 -14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.248 1.522 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.817 0.971 -11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.368 2.900 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.491 1.571 -13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.878 2.105 -14.660 1.00 0.00 H new ATOM 314 N ARG A 21 -2.285 -4.734 -10.126 1.00 0.00 N ATOM 315 CA ARG A 21 -1.313 -5.743 -9.720 1.00 0.00 C ATOM 316 C ARG A 21 0.128 -5.403 -10.197 1.00 0.00 C ATOM 317 O ARG A 21 0.475 -5.584 -11.357 1.00 0.00 O ATOM 318 CB ARG A 21 -1.770 -7.096 -10.293 1.00 0.00 C ATOM 319 CG ARG A 21 -0.667 -8.164 -10.205 1.00 0.00 C ATOM 320 CD ARG A 21 -1.175 -9.555 -9.863 1.00 0.00 C ATOM 321 NE ARG A 21 -1.733 -10.206 -11.050 1.00 0.00 N ATOM 322 CZ ARG A 21 -1.721 -11.541 -11.257 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.256 -12.383 -10.343 1.00 0.00 N ATOM 324 NH2 ARG A 21 -2.183 -12.026 -12.402 1.00 0.00 N ATOM 0 H ARG A 21 -3.141 -5.106 -10.538 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.271 -5.778 -8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.651 -7.440 -9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.067 -6.967 -11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.140 -8.206 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.060 -7.859 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.360 -10.157 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.936 -9.489 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.157 -9.615 -11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.896 -12.027 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.259 -13.387 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.543 -11.393 -13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.178 -13.032 -12.568 1.00 0.00 H new ATOM 338 N GLY A 22 0.928 -4.945 -9.208 1.00 0.00 N ATOM 339 CA GLY A 22 2.323 -4.602 -9.433 1.00 0.00 C ATOM 340 C GLY A 22 2.767 -3.226 -8.904 1.00 0.00 C ATOM 341 O GLY A 22 3.953 -3.054 -8.651 1.00 0.00 O ATOM 0 H GLY A 22 0.616 -4.809 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.945 -5.367 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.519 -4.639 -10.505 1.00 0.00 H new ATOM 345 N ASP A 23 1.814 -2.266 -8.725 1.00 0.00 N ATOM 346 CA ASP A 23 2.213 -0.927 -8.285 1.00 0.00 C ATOM 347 C ASP A 23 3.165 -0.862 -7.074 1.00 0.00 C ATOM 348 O ASP A 23 3.145 -1.673 -6.161 1.00 0.00 O ATOM 349 CB ASP A 23 1.019 0.031 -8.087 1.00 0.00 C ATOM 350 CG ASP A 23 0.438 0.556 -9.429 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.213 0.912 -10.318 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.781 0.632 -9.564 1.00 0.00 O ATOM 0 H ASP A 23 0.814 -2.398 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 23 2.805 -0.580 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.234 -0.484 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.336 0.878 -7.478 1.00 0.00 H new ATOM 357 N ILE A 24 3.998 0.192 -7.150 1.00 0.00 N ATOM 358 CA ILE A 24 4.955 0.529 -6.097 1.00 0.00 C ATOM 359 C ILE A 24 4.300 1.676 -5.321 1.00 0.00 C ATOM 360 O ILE A 24 4.102 2.748 -5.882 1.00 0.00 O ATOM 361 CB ILE A 24 6.317 0.962 -6.669 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.905 -0.130 -7.587 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.314 1.336 -5.548 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.497 0.027 -9.058 1.00 0.00 C ATOM 0 H ILE A 24 4.021 0.830 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 24 5.168 -0.334 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 24 6.148 1.856 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.992 -0.108 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.581 -1.108 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.264 1.636 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.910 2.161 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.472 0.474 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.945 -0.773 -9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.411 -0.024 -9.142 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.845 0.990 -9.431 1.00 0.00 H new ATOM 376 N LEU A 25 4.011 1.425 -4.025 1.00 0.00 N ATOM 377 CA LEU A 25 3.360 2.482 -3.231 1.00 0.00 C ATOM 378 C LEU A 25 4.283 3.070 -2.160 1.00 0.00 C ATOM 379 O LEU A 25 5.284 2.487 -1.753 1.00 0.00 O ATOM 380 CB LEU A 25 2.099 1.952 -2.554 1.00 0.00 C ATOM 381 CG LEU A 25 1.038 1.484 -3.548 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.085 -0.038 -3.775 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.341 1.932 -3.067 1.00 0.00 C ATOM 0 H LEU A 25 4.205 0.553 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 25 3.106 3.275 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.366 1.122 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.677 2.733 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 25 1.248 1.943 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.312 -0.323 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.063 -0.317 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.913 -0.552 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.099 1.599 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.543 1.498 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.365 3.019 -2.994 1.00 0.00 H new ATOM 395 N LYS A 26 3.844 4.283 -1.763 1.00 0.00 N ATOM 396 CA LYS A 26 4.515 5.059 -0.726 1.00 0.00 C ATOM 397 C LYS A 26 3.663 4.896 0.524 1.00 0.00 C ATOM 398 O LYS A 26 2.604 5.490 0.593 1.00 0.00 O ATOM 399 CB LYS A 26 4.646 6.515 -1.197 1.00 0.00 C ATOM 400 CG LYS A 26 5.924 7.214 -0.713 1.00 0.00 C ATOM 401 CD LYS A 26 5.801 7.804 0.695 1.00 0.00 C ATOM 402 CE LYS A 26 4.693 8.864 0.786 1.00 0.00 C ATOM 403 NZ LYS A 26 4.968 9.881 1.794 1.00 0.00 N ATOM 0 H LYS A 26 3.020 4.740 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 26 5.530 4.724 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.622 6.537 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.781 7.079 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.747 6.500 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.180 8.011 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.595 7.004 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.753 8.250 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.575 9.344 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.747 8.375 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.198 10.580 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.038 9.432 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.865 10.357 1.571 1.00 0.00 H new ATOM 417 N VAL A 27 4.136 4.131 1.539 1.00 0.00 N ATOM 418 CA VAL A 27 3.138 3.972 2.619 1.00 0.00 C ATOM 419 C VAL A 27 3.249 5.138 3.620 1.00 0.00 C ATOM 420 O VAL A 27 4.064 5.145 4.532 1.00 0.00 O ATOM 421 CB VAL A 27 3.270 2.596 3.323 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.974 2.247 4.077 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.575 1.483 2.307 1.00 0.00 C ATOM 0 H VAL A 27 5.047 3.681 1.634 1.00 0.00 H new ATOM 0 HA VAL A 27 2.144 3.999 2.173 1.00 0.00 H new ATOM 0 HB VAL A 27 4.096 2.668 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.086 1.278 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.774 3.010 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.143 2.205 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.662 0.529 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.768 1.425 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.512 1.704 1.795 1.00 0.00 H new ATOM 433 N LEU A 28 2.299 6.080 3.477 1.00 0.00 N ATOM 434 CA LEU A 28 2.339 7.214 4.386 1.00 0.00 C ATOM 435 C LEU A 28 1.460 6.849 5.596 1.00 0.00 C ATOM 436 O LEU A 28 0.261 7.067 5.607 1.00 0.00 O ATOM 437 CB LEU A 28 1.801 8.449 3.642 1.00 0.00 C ATOM 438 CG LEU A 28 2.302 9.786 4.214 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.780 10.965 3.386 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.935 9.965 5.696 1.00 0.00 C ATOM 0 H LEU A 28 1.547 6.077 2.788 1.00 0.00 H new ATOM 0 HA LEU A 28 3.348 7.442 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.088 8.383 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.712 8.436 3.676 1.00 0.00 H new ATOM 0 HG LEU A 28 3.390 9.766 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.148 11.899 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.130 10.871 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.690 10.965 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.312 10.924 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.851 9.937 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.382 9.161 6.281 1.00 0.00 H new ATOM 536 N ASN A 35 -6.345 -3.663 8.629 1.00 0.00 N ATOM 537 CA ASN A 35 -6.853 -4.137 7.355 1.00 0.00 C ATOM 538 C ASN A 35 -6.636 -3.133 6.217 1.00 0.00 C ATOM 539 O ASN A 35 -6.828 -3.500 5.071 1.00 0.00 O ATOM 540 CB ASN A 35 -8.344 -4.410 7.527 1.00 0.00 C ATOM 541 CG ASN A 35 -8.627 -5.848 7.988 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.886 -6.781 7.739 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.780 -5.940 8.675 1.00 0.00 N ATOM 0 HA ASN A 35 -6.307 -5.038 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.757 -3.710 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.855 -4.227 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.091 -6.844 9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.343 -5.106 8.840 1.00 0.00 H new ATOM 550 N TRP A 36 -6.388 -1.859 6.575 1.00 0.00 N ATOM 551 CA TRP A 36 -6.150 -0.795 5.594 1.00 0.00 C ATOM 552 C TRP A 36 -4.775 -0.131 5.877 1.00 0.00 C ATOM 553 O TRP A 36 -4.263 -0.187 6.984 1.00 0.00 O ATOM 554 CB TRP A 36 -7.367 0.162 5.543 1.00 0.00 C ATOM 555 CG TRP A 36 -8.569 -0.617 5.056 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.420 -1.388 5.863 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.019 -0.781 3.695 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.328 -2.007 5.072 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.111 -1.678 3.747 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.607 -0.279 2.490 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.756 -2.046 2.608 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.271 -0.649 1.318 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.347 -1.540 1.374 1.00 0.00 C ATOM 0 H TRP A 36 -6.348 -1.545 7.545 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.073 -1.191 4.581 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.561 0.581 6.530 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.163 1.000 4.876 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.360 -1.473 6.938 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.066 -2.627 5.406 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.770 0.402 2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.588 -2.733 2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -8.953 -0.246 0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.858 -1.834 0.469 1.00 0.00 H new ATOM 574 N TYR A 37 -4.185 0.415 4.792 1.00 0.00 N ATOM 575 CA TYR A 37 -2.900 1.131 4.844 1.00 0.00 C ATOM 576 C TYR A 37 -3.124 2.417 4.011 1.00 0.00 C ATOM 577 O TYR A 37 -3.868 2.382 3.041 1.00 0.00 O ATOM 578 CB TYR A 37 -1.778 0.383 4.080 1.00 0.00 C ATOM 579 CG TYR A 37 -1.270 -0.895 4.669 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.158 -1.047 6.042 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.871 -1.911 3.809 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.631 -2.213 6.550 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.339 -3.092 4.296 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.225 -3.249 5.703 1.00 0.00 C ATOM 585 OH TYR A 37 0.220 -4.378 6.392 1.00 0.00 O ATOM 0 H TYR A 37 -4.589 0.370 3.857 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.613 1.267 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.142 0.168 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.933 1.063 3.974 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.481 -0.259 6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.978 -1.777 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.530 -2.329 7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.019 -3.874 3.624 1.00 0.00 H new ATOM 0 HH TYR A 37 0.983 -4.771 5.919 1.00 0.00 H new ATOM 595 N LYS A 38 -2.491 3.539 4.440 1.00 0.00 N ATOM 596 CA LYS A 38 -2.622 4.796 3.692 1.00 0.00 C ATOM 597 C LYS A 38 -1.336 4.966 2.858 1.00 0.00 C ATOM 598 O LYS A 38 -0.245 4.926 3.413 1.00 0.00 O ATOM 599 CB LYS A 38 -2.832 5.966 4.665 1.00 0.00 C ATOM 600 CG LYS A 38 -3.353 7.239 3.971 1.00 0.00 C ATOM 601 CD LYS A 38 -4.710 7.680 4.526 1.00 0.00 C ATOM 602 CE LYS A 38 -5.005 9.159 4.279 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.423 9.484 4.399 1.00 0.00 N ATOM 0 H LYS A 38 -1.905 3.591 5.273 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.487 4.778 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.538 5.666 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.889 6.191 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.630 8.044 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.441 7.058 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.496 7.078 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.739 7.484 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.438 9.761 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.658 9.432 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.760 9.902 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.962 8.618 4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.559 10.164 5.174 1.00 0.00 H new ATOM 617 N ALA A 39 -1.504 5.134 1.522 1.00 0.00 N ATOM 618 CA ALA A 39 -0.316 5.261 0.671 1.00 0.00 C ATOM 619 C ALA A 39 -0.482 6.229 -0.505 1.00 0.00 C ATOM 620 O ALA A 39 -1.582 6.667 -0.812 1.00 0.00 O ATOM 621 CB ALA A 39 0.044 3.879 0.151 1.00 0.00 C ATOM 0 H ALA A 39 -2.402 5.182 1.040 1.00 0.00 H new ATOM 0 HA ALA A 39 0.477 5.685 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.926 3.948 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.254 3.217 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.790 3.479 -0.426 1.00 0.00 H new ATOM 627 N GLU A 40 0.688 6.520 -1.149 1.00 0.00 N ATOM 628 CA GLU A 40 0.688 7.426 -2.291 1.00 0.00 C ATOM 629 C GLU A 40 0.968 6.670 -3.608 1.00 0.00 C ATOM 630 O GLU A 40 1.852 5.832 -3.711 1.00 0.00 O ATOM 631 CB GLU A 40 1.764 8.501 -2.089 1.00 0.00 C ATOM 632 CG GLU A 40 1.507 9.779 -2.903 1.00 0.00 C ATOM 633 CD GLU A 40 2.649 10.795 -2.701 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.876 11.210 -1.565 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.306 11.157 -3.679 1.00 0.00 O ATOM 0 H GLU A 40 1.601 6.145 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.298 7.885 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.818 8.757 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.735 8.090 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.418 9.530 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.560 10.225 -2.600 1.00 0.00 H new ATOM 642 N LEU A 41 0.130 7.090 -4.575 1.00 0.00 N ATOM 643 CA LEU A 41 0.144 6.627 -5.965 1.00 0.00 C ATOM 644 C LEU A 41 -0.598 7.539 -6.913 1.00 0.00 C ATOM 645 O LEU A 41 -1.702 7.993 -6.652 1.00 0.00 O ATOM 646 CB LEU A 41 -0.691 5.354 -6.162 1.00 0.00 C ATOM 647 CG LEU A 41 -0.006 4.014 -5.990 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.121 2.973 -5.895 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.809 3.732 -7.262 1.00 0.00 C ATOM 0 H LEU A 41 -0.597 7.784 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 41 1.212 6.534 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.527 5.393 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.114 5.385 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 41 0.643 3.994 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.684 1.982 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.758 3.199 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.717 2.994 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.314 2.771 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.142 3.706 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.550 4.519 -7.401 1.00 0.00 H new ATOM 661 N ASN A 42 0.070 7.663 -8.083 1.00 0.00 N ATOM 662 CA ASN A 42 -0.587 8.314 -9.204 1.00 0.00 C ATOM 663 C ASN A 42 -1.053 9.764 -8.950 1.00 0.00 C ATOM 664 O ASN A 42 -2.037 10.219 -9.520 1.00 0.00 O ATOM 665 CB ASN A 42 -1.714 7.311 -9.587 1.00 0.00 C ATOM 666 CG ASN A 42 -1.761 6.991 -11.071 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.944 7.841 -11.929 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.560 5.684 -11.297 1.00 0.00 N ATOM 0 H ASN A 42 1.019 7.333 -8.258 1.00 0.00 H new ATOM 0 HA ASN A 42 0.100 8.498 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.572 6.386 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.676 7.723 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.552 5.327 -12.252 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.416 5.047 -10.513 1.00 0.00 H new ATOM 675 N GLY A 43 -0.313 10.444 -8.044 1.00 0.00 N ATOM 676 CA GLY A 43 -0.650 11.829 -7.704 1.00 0.00 C ATOM 677 C GLY A 43 -1.856 11.971 -6.755 1.00 0.00 C ATOM 678 O GLY A 43 -2.466 13.027 -6.656 1.00 0.00 O ATOM 0 H GLY A 43 0.496 10.063 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.218 12.300 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.859 12.376 -8.623 1.00 0.00 H new ATOM 682 N LYS A 44 -2.170 10.842 -6.085 1.00 0.00 N ATOM 683 CA LYS A 44 -3.252 10.728 -5.123 1.00 0.00 C ATOM 684 C LYS A 44 -2.736 9.915 -3.924 1.00 0.00 C ATOM 685 O LYS A 44 -1.697 9.269 -3.973 1.00 0.00 O ATOM 686 CB LYS A 44 -4.491 10.091 -5.783 1.00 0.00 C ATOM 687 CG LYS A 44 -5.286 11.118 -6.606 1.00 0.00 C ATOM 688 CD LYS A 44 -6.611 10.561 -7.149 1.00 0.00 C ATOM 689 CE LYS A 44 -7.718 10.501 -6.085 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.139 11.833 -5.659 1.00 0.00 N ATOM 0 H LYS A 44 -1.656 9.970 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.567 11.710 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.178 9.270 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.134 9.664 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.493 11.990 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.673 11.459 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.946 11.182 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.442 9.560 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.576 9.960 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.361 9.940 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.040 11.764 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.415 12.243 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.262 12.442 -6.493 1.00 0.00 H new ATOM 704 N ASP A 45 -3.554 9.996 -2.863 1.00 0.00 N ATOM 705 CA ASP A 45 -3.273 9.311 -1.607 1.00 0.00 C ATOM 706 C ASP A 45 -4.634 8.820 -1.063 1.00 0.00 C ATOM 707 O ASP A 45 -5.635 9.528 -1.108 1.00 0.00 O ATOM 708 CB ASP A 45 -2.574 10.293 -0.646 1.00 0.00 C ATOM 709 CG ASP A 45 -2.390 9.749 0.790 1.00 0.00 C ATOM 710 OD1 ASP A 45 -1.671 8.769 0.980 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.971 10.320 1.710 1.00 0.00 O ATOM 0 H ASP A 45 -4.420 10.535 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.604 8.459 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.596 10.549 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.153 11.215 -0.602 1.00 0.00 H new ATOM 716 N GLY A 46 -4.613 7.563 -0.580 1.00 0.00 N ATOM 717 CA GLY A 46 -5.848 6.968 -0.063 1.00 0.00 C ATOM 718 C GLY A 46 -5.607 5.603 0.569 1.00 0.00 C ATOM 719 O GLY A 46 -4.505 5.067 0.548 1.00 0.00 O ATOM 0 H GLY A 46 -3.788 6.965 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.290 7.636 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.569 6.869 -0.874 1.00 0.00 H new ATOM 723 N PHE A 47 -6.705 5.071 1.143 1.00 0.00 N ATOM 724 CA PHE A 47 -6.616 3.761 1.766 1.00 0.00 C ATOM 725 C PHE A 47 -6.660 2.654 0.691 1.00 0.00 C ATOM 726 O PHE A 47 -7.286 2.767 -0.356 1.00 0.00 O ATOM 727 CB PHE A 47 -7.739 3.592 2.797 1.00 0.00 C ATOM 728 CG PHE A 47 -7.561 4.527 3.967 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.739 4.171 5.037 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.224 5.753 3.980 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.586 5.036 6.111 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.065 6.618 5.048 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.246 6.260 6.114 1.00 0.00 C ATOM 0 H PHE A 47 -7.622 5.516 1.182 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.664 3.675 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.702 3.781 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.756 2.562 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.222 3.223 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.863 6.028 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.956 4.759 6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.576 7.570 5.054 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.122 6.936 6.947 1.00 0.00 H new ATOM 743 N ILE A 48 -5.931 1.586 1.053 1.00 0.00 N ATOM 744 CA ILE A 48 -5.797 0.375 0.255 1.00 0.00 C ATOM 745 C ILE A 48 -5.788 -0.797 1.253 1.00 0.00 C ATOM 746 O ILE A 48 -5.275 -0.642 2.352 1.00 0.00 O ATOM 747 CB ILE A 48 -4.502 0.467 -0.567 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.294 0.880 0.301 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.694 1.472 -1.722 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.949 0.501 -0.308 1.00 0.00 C ATOM 0 H ILE A 48 -5.410 1.548 1.929 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.611 0.235 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.289 -0.523 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.322 1.958 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.385 0.412 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.775 1.537 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.508 1.137 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.935 2.454 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.146 0.822 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.901 -0.580 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.837 0.990 -1.276 1.00 0.00 H new ATOM 762 N PRO A 49 -6.321 -1.991 0.871 1.00 0.00 N ATOM 763 CA PRO A 49 -6.366 -3.088 1.839 1.00 0.00 C ATOM 764 C PRO A 49 -5.025 -3.766 2.088 1.00 0.00 C ATOM 765 O PRO A 49 -4.274 -3.989 1.144 1.00 0.00 O ATOM 766 CB PRO A 49 -7.362 -4.077 1.264 1.00 0.00 C ATOM 767 CG PRO A 49 -7.533 -3.727 -0.221 1.00 0.00 C ATOM 768 CD PRO A 49 -6.888 -2.361 -0.448 1.00 0.00 C ATOM 0 HA PRO A 49 -6.650 -2.700 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.002 -5.099 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.316 -4.013 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.062 -4.483 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.589 -3.702 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.113 -2.411 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.621 -1.628 -0.784 1.00 0.00 H new ATOM 776 N LYS A 50 -4.775 -4.156 3.376 1.00 0.00 N ATOM 777 CA LYS A 50 -3.474 -4.791 3.545 1.00 0.00 C ATOM 778 C LYS A 50 -3.385 -6.188 2.904 1.00 0.00 C ATOM 779 O LYS A 50 -2.311 -6.536 2.439 1.00 0.00 O ATOM 780 CB LYS A 50 -3.018 -4.876 4.989 1.00 0.00 C ATOM 781 CG LYS A 50 -4.047 -5.502 5.906 1.00 0.00 C ATOM 782 CD LYS A 50 -3.436 -6.453 6.944 1.00 0.00 C ATOM 783 CE LYS A 50 -3.282 -7.884 6.426 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.307 -8.029 5.352 1.00 0.00 N ATOM 0 H LYS A 50 -5.375 -4.054 4.194 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.797 -4.122 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.097 -5.456 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.783 -3.874 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.591 -4.712 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.774 -6.049 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.459 -6.074 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.063 -6.461 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.991 -8.529 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.251 -8.237 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.823 -8.945 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.793 -7.984 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.608 -7.261 5.412 1.00 0.00 H new ATOM 798 N ASN A 51 -4.501 -6.962 2.835 1.00 0.00 N ATOM 799 CA ASN A 51 -4.335 -8.291 2.208 1.00 0.00 C ATOM 800 C ASN A 51 -4.071 -8.259 0.678 1.00 0.00 C ATOM 801 O ASN A 51 -3.662 -9.266 0.116 1.00 0.00 O ATOM 802 CB ASN A 51 -5.428 -9.301 2.594 1.00 0.00 C ATOM 803 CG ASN A 51 -6.826 -8.718 2.737 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.224 -8.290 3.810 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.538 -8.743 1.609 1.00 0.00 N ATOM 0 H ASN A 51 -5.434 -6.720 3.169 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.409 -8.663 2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.455 -10.089 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.149 -9.771 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.493 -8.386 1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.127 -9.119 0.755 1.00 0.00 H new ATOM 812 N TYR A 52 -4.219 -7.062 0.059 1.00 0.00 N ATOM 813 CA TYR A 52 -3.972 -6.904 -1.382 1.00 0.00 C ATOM 814 C TYR A 52 -2.513 -6.458 -1.659 1.00 0.00 C ATOM 815 O TYR A 52 -2.103 -6.498 -2.810 1.00 0.00 O ATOM 816 CB TYR A 52 -4.965 -5.919 -2.011 1.00 0.00 C ATOM 817 CG TYR A 52 -6.254 -6.585 -2.427 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.070 -7.263 -1.518 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.638 -6.516 -3.760 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.257 -7.854 -1.946 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.801 -7.118 -4.209 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.646 -7.783 -3.297 1.00 0.00 C ATOM 823 OH TYR A 52 -9.842 -8.403 -3.689 1.00 0.00 O ATOM 0 H TYR A 52 -4.505 -6.206 0.534 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.121 -7.879 -1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.184 -5.124 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.505 -5.450 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.780 -7.329 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.016 -5.981 -4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.884 -8.371 -1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.061 -7.078 -5.257 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.062 -9.119 -3.057 1.00 0.00 H new ATOM 833 N ILE A 53 -1.757 -6.037 -0.606 1.00 0.00 N ATOM 834 CA ILE A 53 -0.340 -5.635 -0.823 1.00 0.00 C ATOM 835 C ILE A 53 0.551 -6.396 0.188 1.00 0.00 C ATOM 836 O ILE A 53 0.074 -7.043 1.111 1.00 0.00 O ATOM 837 CB ILE A 53 -0.090 -4.076 -0.799 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.111 -3.582 0.076 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.352 -3.245 -0.555 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.188 -2.098 0.347 1.00 0.00 C ATOM 0 H ILE A 53 -2.086 -5.969 0.357 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.068 -5.917 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 53 0.225 -3.888 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.070 -4.101 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.036 -3.887 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.095 -2.186 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.076 -3.442 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.785 -3.515 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.062 -1.885 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.269 -1.559 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.288 -1.777 0.872 1.00 0.00 H new ATOM 852 N GLU A 54 1.873 -6.228 -0.056 1.00 0.00 N ATOM 853 CA GLU A 54 2.954 -6.774 0.755 1.00 0.00 C ATOM 854 C GLU A 54 3.937 -5.612 0.998 1.00 0.00 C ATOM 855 O GLU A 54 4.273 -4.839 0.110 1.00 0.00 O ATOM 856 CB GLU A 54 3.667 -7.890 -0.024 1.00 0.00 C ATOM 857 CG GLU A 54 4.753 -8.635 0.786 1.00 0.00 C ATOM 858 CD GLU A 54 5.312 -9.889 0.074 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.910 -10.177 -1.051 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.142 -10.575 0.668 1.00 0.00 O ATOM 0 H GLU A 54 2.213 -5.689 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 54 2.582 -7.190 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.924 -8.612 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.125 -7.460 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.575 -7.949 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.336 -8.931 1.749 1.00 0.00 H new ATOM 867 N MET A 55 4.321 -5.498 2.281 1.00 0.00 N ATOM 868 CA MET A 55 5.254 -4.459 2.708 1.00 0.00 C ATOM 869 C MET A 55 6.701 -4.931 2.493 1.00 0.00 C ATOM 870 O MET A 55 6.979 -6.100 2.256 1.00 0.00 O ATOM 871 CB MET A 55 5.058 -4.100 4.188 1.00 0.00 C ATOM 872 CG MET A 55 3.597 -3.919 4.621 1.00 0.00 C ATOM 873 SD MET A 55 2.879 -5.452 5.268 1.00 0.00 S ATOM 874 CE MET A 55 3.939 -5.678 6.723 1.00 0.00 C ATOM 0 H MET A 55 3.999 -6.111 3.030 1.00 0.00 H new ATOM 0 HA MET A 55 5.056 -3.572 2.107 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.509 -4.882 4.799 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.601 -3.178 4.398 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.540 -3.143 5.384 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.008 -3.575 3.771 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.375 -6.178 7.510 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.802 -6.286 6.453 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.278 -4.706 7.081 1.00 0.00 H new ATOM 943 N PRO B 2 -8.357 -12.749 -6.443 1.00 0.00 N ATOM 944 CA PRO B 2 -7.922 -12.037 -5.280 1.00 0.00 C ATOM 945 C PRO B 2 -8.793 -12.239 -4.011 1.00 0.00 C ATOM 946 O PRO B 2 -9.986 -12.514 -4.074 1.00 0.00 O ATOM 947 CB PRO B 2 -7.827 -10.588 -5.704 1.00 0.00 C ATOM 948 CG PRO B 2 -8.233 -10.479 -7.174 1.00 0.00 C ATOM 949 CD PRO B 2 -8.645 -11.885 -7.601 1.00 0.00 C ATOM 0 HA PRO B 2 -6.961 -12.433 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.478 -9.970 -5.086 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.811 -10.219 -5.564 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -9.056 -9.776 -7.300 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.405 -10.113 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.702 -11.921 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.087 -12.208 -8.480 1.00 0.00 H new ATOM 957 N PRO B 3 -8.104 -12.038 -2.847 1.00 0.00 N ATOM 958 CA PRO B 3 -8.732 -12.155 -1.523 1.00 0.00 C ATOM 959 C PRO B 3 -9.991 -11.298 -1.265 1.00 0.00 C ATOM 960 O PRO B 3 -10.184 -10.245 -1.852 1.00 0.00 O ATOM 961 CB PRO B 3 -7.669 -11.555 -0.570 1.00 0.00 C ATOM 962 CG PRO B 3 -6.329 -11.584 -1.305 1.00 0.00 C ATOM 963 CD PRO B 3 -6.666 -11.698 -2.789 1.00 0.00 C ATOM 0 HA PRO B 3 -9.036 -13.195 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.933 -10.534 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.613 -12.131 0.354 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.754 -10.680 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.722 -12.428 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.464 -10.762 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.062 -12.467 -3.270 1.00 0.00 H new ATOM 971 N PRO B 4 -10.823 -11.754 -0.284 1.00 0.00 N ATOM 972 CA PRO B 4 -11.984 -10.967 0.150 1.00 0.00 C ATOM 973 C PRO B 4 -11.401 -9.755 0.883 1.00 0.00 C ATOM 974 O PRO B 4 -10.628 -9.891 1.824 1.00 0.00 O ATOM 975 CB PRO B 4 -12.742 -11.880 1.132 1.00 0.00 C ATOM 976 CG PRO B 4 -11.807 -13.057 1.459 1.00 0.00 C ATOM 977 CD PRO B 4 -10.638 -12.995 0.469 1.00 0.00 C ATOM 0 HA PRO B 4 -12.647 -10.638 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.009 -11.336 2.038 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.672 -12.237 0.689 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.446 -12.988 2.485 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.337 -14.005 1.370 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.682 -12.997 0.992 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.640 -13.860 -0.195 1.00 0.00 H new ATOM 985 N VAL B 5 -11.799 -8.577 0.376 1.00 0.00 N ATOM 986 CA VAL B 5 -11.289 -7.349 0.962 1.00 0.00 C ATOM 987 C VAL B 5 -11.938 -7.154 2.329 1.00 0.00 C ATOM 988 O VAL B 5 -13.043 -7.630 2.570 1.00 0.00 O ATOM 989 CB VAL B 5 -11.606 -6.144 0.102 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.754 -4.909 0.441 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.417 -6.372 -1.374 1.00 0.00 C ATOM 0 H VAL B 5 -12.445 -8.459 -0.405 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.206 -7.435 1.045 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.658 -5.973 0.329 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.034 -4.083 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.924 -4.623 1.479 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.699 -5.144 0.298 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.665 -5.460 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.379 -6.641 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.070 -7.180 -1.704 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.199 -6.491 3.241 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.775 -6.194 4.533 1.00 0.00 C ATOM 1003 C PRO B 6 -12.878 -5.133 4.448 1.00 0.00 C ATOM 1004 O PRO B 6 -12.891 -4.295 3.559 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.624 -5.582 5.327 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.336 -5.901 4.573 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.763 -6.199 3.151 1.00 0.00 C ATOM 0 HA PRO B 6 -12.213 -7.093 4.967 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.755 -4.504 5.426 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.591 -5.993 6.336 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.643 -5.060 4.607 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.823 -6.755 5.016 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.573 -5.349 2.495 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.212 -7.046 2.743 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.787 -5.160 5.450 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.820 -4.133 5.507 1.00 0.00 C ATOM 1017 C PRO B 7 -14.135 -2.817 5.946 1.00 0.00 C ATOM 1018 O PRO B 7 -13.575 -2.742 7.033 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.771 -4.618 6.613 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.997 -5.673 7.421 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.844 -6.143 6.530 1.00 0.00 C ATOM 0 HA PRO B 7 -15.341 -3.967 4.564 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -16.079 -3.790 7.251 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.678 -5.045 6.185 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.620 -5.249 8.352 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.645 -6.508 7.690 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.905 -6.179 7.083 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -14.025 -7.146 6.144 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.202 -1.807 5.051 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.608 -0.513 5.388 1.00 0.00 C ATOM 1031 C ARG B 8 -14.637 0.274 6.208 1.00 0.00 C ATOM 1032 O ARG B 8 -15.822 -0.035 6.196 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.118 0.288 4.156 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.726 -0.069 2.793 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.260 -0.045 2.771 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.776 0.700 1.631 1.00 0.00 N ATOM 1037 CZ ARG B 8 -17.032 0.498 1.176 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.730 -0.588 1.494 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.592 1.416 0.404 1.00 0.00 N ATOM 0 H ARG B 8 -14.642 -1.864 4.133 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.704 -0.687 5.971 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.309 1.345 4.344 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.037 0.168 4.084 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.351 0.629 2.045 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.384 -1.062 2.502 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.638 -1.067 2.738 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.629 0.402 3.694 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.179 1.386 1.168 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.319 -1.299 2.099 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.676 -0.710 1.133 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.076 2.261 0.160 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.540 1.278 0.053 1.00 0.00 H new