USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 442 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 11 THR OG1 : rot 23:sc= 0.0592 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 24 ASN : amide:sc=-0.00727 K(o=-0.0073,f=-0.52) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.697) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -45:sc= -0.608 USER MOD Single : A 51 THR OG1 : rot -108:sc= -1.68! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 3.055 2.844 1.357 1.00 0.00 N ATOM 109 CA THR A 11 2.989 2.352 -0.013 1.00 0.00 C ATOM 110 C THR A 11 3.217 0.846 -0.069 1.00 0.00 C ATOM 111 O THR A 11 2.419 0.108 -0.648 1.00 0.00 O ATOM 112 CB THR A 11 4.027 3.050 -0.912 1.00 0.00 C ATOM 113 OG1 THR A 11 3.819 4.467 -0.891 1.00 0.00 O ATOM 114 CG2 THR A 11 3.935 2.540 -2.342 1.00 0.00 C ATOM 0 HA THR A 11 1.989 2.579 -0.381 1.00 0.00 H new ATOM 0 HB THR A 11 5.021 2.823 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.334 4.714 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.678 3.047 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.123 1.466 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.939 2.740 -2.736 1.00 0.00 H new ATOM 122 N ASP A 12 4.310 0.395 0.538 1.00 0.00 N ATOM 123 CA ASP A 12 4.642 -1.025 0.559 1.00 0.00 C ATOM 124 C ASP A 12 3.777 -1.770 1.570 1.00 0.00 C ATOM 125 O ASP A 12 3.146 -2.775 1.243 1.00 0.00 O ATOM 126 CB ASP A 12 6.122 -1.219 0.894 1.00 0.00 C ATOM 127 CG ASP A 12 7.005 -0.170 0.246 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.953 0.999 0.680 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.747 -0.519 -0.697 1.00 0.00 O ATOM 0 H ASP A 12 4.981 0.992 1.022 1.00 0.00 H new ATOM 0 HA ASP A 12 4.445 -1.434 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.254 -1.183 1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.439 -2.209 0.566 1.00 0.00 H new ATOM 134 N LYS A 13 3.753 -1.272 2.802 1.00 0.00 N ATOM 135 CA LYS A 13 2.965 -1.889 3.862 1.00 0.00 C ATOM 136 C LYS A 13 1.568 -2.244 3.366 1.00 0.00 C ATOM 137 O LYS A 13 1.077 -3.348 3.601 1.00 0.00 O ATOM 138 CB LYS A 13 2.867 -0.949 5.066 1.00 0.00 C ATOM 139 CG LYS A 13 2.244 -1.594 6.292 1.00 0.00 C ATOM 140 CD LYS A 13 2.355 -0.695 7.512 1.00 0.00 C ATOM 141 CE LYS A 13 3.740 -0.770 8.136 1.00 0.00 C ATOM 142 NZ LYS A 13 3.893 0.189 9.265 1.00 0.00 N ATOM 0 H LYS A 13 4.271 -0.442 3.091 1.00 0.00 H new ATOM 0 HA LYS A 13 3.467 -2.807 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.865 -0.593 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.279 -0.075 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.195 -1.814 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.736 -2.545 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.138 0.335 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.607 -0.986 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.923 -1.783 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.492 -0.559 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.850 0.107 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.744 1.159 8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.192 -0.028 10.002 1.00 0.00 H new ATOM 156 N ALA A 14 0.932 -1.302 2.677 1.00 0.00 N ATOM 157 CA ALA A 14 -0.408 -1.517 2.145 1.00 0.00 C ATOM 158 C ALA A 14 -0.501 -2.855 1.419 1.00 0.00 C ATOM 159 O ALA A 14 -1.427 -3.635 1.649 1.00 0.00 O ATOM 160 CB ALA A 14 -0.794 -0.380 1.211 1.00 0.00 C ATOM 0 H ALA A 14 1.324 -0.382 2.474 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.106 -1.537 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.797 -0.554 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.776 0.563 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.086 -0.333 0.383 1.00 0.00 H new ATOM 166 N LEU A 15 0.461 -3.115 0.541 1.00 0.00 N ATOM 167 CA LEU A 15 0.487 -4.360 -0.219 1.00 0.00 C ATOM 168 C LEU A 15 0.831 -5.542 0.681 1.00 0.00 C ATOM 169 O LEU A 15 0.071 -6.506 0.775 1.00 0.00 O ATOM 170 CB LEU A 15 1.501 -4.262 -1.361 1.00 0.00 C ATOM 171 CG LEU A 15 0.995 -3.625 -2.655 1.00 0.00 C ATOM 172 CD1 LEU A 15 1.003 -2.108 -2.543 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.838 -4.078 -3.838 1.00 0.00 C ATOM 0 H LEU A 15 1.233 -2.481 0.338 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.507 -4.523 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.360 -3.690 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.859 -5.266 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.032 -3.951 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.640 -1.673 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.356 -1.800 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.019 -1.763 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.463 -3.615 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.875 -3.782 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.780 -5.162 -3.932 1.00 0.00 H new ATOM 185 N TYR A 16 1.980 -5.460 1.343 1.00 0.00 N ATOM 186 CA TYR A 16 2.425 -6.523 2.237 1.00 0.00 C ATOM 187 C TYR A 16 1.244 -7.137 2.983 1.00 0.00 C ATOM 188 O TYR A 16 1.161 -8.354 3.140 1.00 0.00 O ATOM 189 CB TYR A 16 3.448 -5.982 3.237 1.00 0.00 C ATOM 190 CG TYR A 16 4.416 -7.029 3.740 1.00 0.00 C ATOM 191 CD1 TYR A 16 5.135 -7.821 2.853 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.609 -7.229 5.101 1.00 0.00 C ATOM 193 CE1 TYR A 16 6.020 -8.780 3.307 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.493 -8.184 5.564 1.00 0.00 C ATOM 195 CZ TYR A 16 6.195 -8.957 4.664 1.00 0.00 C ATOM 196 OH TYR A 16 7.075 -9.911 5.122 1.00 0.00 O ATOM 0 H TYR A 16 2.620 -4.669 1.277 1.00 0.00 H new ATOM 0 HA TYR A 16 2.893 -7.300 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.011 -5.175 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.919 -5.550 4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.000 -7.685 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.058 -6.628 5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.571 -9.387 2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.633 -8.324 6.626 1.00 0.00 H new ATOM 0 HH TYR A 16 7.081 -9.907 6.102 1.00 0.00 H new ATOM 206 N ASN A 17 0.333 -6.285 3.439 1.00 0.00 N ATOM 207 CA ASN A 17 -0.844 -6.742 4.169 1.00 0.00 C ATOM 208 C ASN A 17 -1.759 -7.564 3.265 1.00 0.00 C ATOM 209 O ASN A 17 -2.042 -8.729 3.546 1.00 0.00 O ATOM 210 CB ASN A 17 -1.612 -5.549 4.740 1.00 0.00 C ATOM 211 CG ASN A 17 -2.914 -5.961 5.400 1.00 0.00 C ATOM 212 OD1 ASN A 17 -2.979 -6.980 6.088 1.00 0.00 O ATOM 213 ND2 ASN A 17 -3.959 -5.168 5.193 1.00 0.00 N ATOM 0 H ASN A 17 0.387 -5.274 3.316 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.508 -7.375 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.986 -5.033 5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.822 -4.839 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.861 -5.394 5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.859 -4.333 4.615 1.00 0.00 H new ATOM 220 N ARG A 18 -2.216 -6.950 2.179 1.00 0.00 N ATOM 221 CA ARG A 18 -3.099 -7.624 1.235 1.00 0.00 C ATOM 222 C ARG A 18 -2.504 -8.957 0.791 1.00 0.00 C ATOM 223 O ARG A 18 -3.187 -9.981 0.781 1.00 0.00 O ATOM 224 CB ARG A 18 -3.351 -6.734 0.016 1.00 0.00 C ATOM 225 CG ARG A 18 -4.280 -7.359 -1.012 1.00 0.00 C ATOM 226 CD ARG A 18 -3.959 -6.877 -2.418 1.00 0.00 C ATOM 227 NE ARG A 18 -4.665 -7.651 -3.436 1.00 0.00 N ATOM 228 CZ ARG A 18 -5.979 -7.589 -3.626 1.00 0.00 C ATOM 229 NH1 ARG A 18 -6.725 -6.794 -2.872 1.00 0.00 N ATOM 230 NH2 ARG A 18 -6.548 -8.324 -4.573 1.00 0.00 N ATOM 0 H ARG A 18 -1.989 -5.987 1.931 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.047 -7.818 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.776 -5.787 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.397 -6.505 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.194 -8.445 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.313 -7.112 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.228 -5.825 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.885 -6.947 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.120 -8.273 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.291 -6.227 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.733 -6.749 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.977 -8.937 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.556 -8.276 -4.719 1.00 0.00 H new ATOM 244 N LEU A 19 -1.227 -8.936 0.424 1.00 0.00 N ATOM 245 CA LEU A 19 -0.539 -10.142 -0.022 1.00 0.00 C ATOM 246 C LEU A 19 -0.570 -11.218 1.060 1.00 0.00 C ATOM 247 O LEU A 19 -0.935 -12.364 0.800 1.00 0.00 O ATOM 248 CB LEU A 19 0.909 -9.819 -0.395 1.00 0.00 C ATOM 249 CG LEU A 19 1.110 -9.058 -1.706 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.506 -8.458 -1.765 1.00 0.00 C ATOM 251 CD2 LEU A 19 0.871 -9.975 -2.897 1.00 0.00 C ATOM 0 H LEU A 19 -0.647 -8.097 0.427 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.058 -10.522 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.349 -9.234 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.466 -10.754 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 19 0.385 -8.245 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.631 -7.920 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.641 -7.769 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.247 -9.254 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.018 -9.417 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.572 -10.809 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.149 -10.357 -2.863 1.00 0.00 H new ATOM 263 N VAL A 20 -0.185 -10.839 2.274 1.00 0.00 N ATOM 264 CA VAL A 20 -0.172 -11.770 3.397 1.00 0.00 C ATOM 265 C VAL A 20 -1.160 -11.343 4.477 1.00 0.00 C ATOM 266 O VAL A 20 -0.794 -10.728 5.479 1.00 0.00 O ATOM 267 CB VAL A 20 1.234 -11.881 4.017 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.215 -12.812 5.219 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.237 -12.359 2.978 1.00 0.00 C ATOM 0 H VAL A 20 0.122 -9.894 2.506 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.466 -12.744 3.005 1.00 0.00 H new ATOM 0 HB VAL A 20 1.541 -10.892 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.217 -12.878 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.527 -12.423 5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.887 -13.803 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.225 -12.432 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.936 -13.338 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.270 -11.650 2.151 1.00 0.00 H new ATOM 279 N PRO A 21 -2.442 -11.675 4.270 1.00 0.00 N ATOM 280 CA PRO A 21 -3.510 -11.337 5.216 1.00 0.00 C ATOM 281 C PRO A 21 -3.410 -12.134 6.512 1.00 0.00 C ATOM 282 O PRO A 21 -2.680 -13.123 6.590 1.00 0.00 O ATOM 283 CB PRO A 21 -4.787 -11.708 4.458 1.00 0.00 C ATOM 284 CG PRO A 21 -4.360 -12.754 3.487 1.00 0.00 C ATOM 285 CD PRO A 21 -2.950 -12.408 3.098 1.00 0.00 C ATOM 0 HA PRO A 21 -3.468 -10.291 5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.554 -12.085 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.210 -10.843 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.409 -13.746 3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.013 -12.767 2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.359 -13.301 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.921 -11.795 2.197 1.00 0.00 H new ATOM 293 N LEU A 22 -4.147 -11.697 7.528 1.00 0.00 N ATOM 294 CA LEU A 22 -4.142 -12.371 8.822 1.00 0.00 C ATOM 295 C LEU A 22 -5.564 -12.660 9.291 1.00 0.00 C ATOM 296 O LEU A 22 -6.268 -11.766 9.760 1.00 0.00 O ATOM 297 CB LEU A 22 -3.414 -11.516 9.861 1.00 0.00 C ATOM 298 CG LEU A 22 -2.706 -12.280 10.981 1.00 0.00 C ATOM 299 CD1 LEU A 22 -2.113 -11.313 11.994 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.668 -13.243 11.660 1.00 0.00 C ATOM 0 H LEU A 22 -4.755 -10.880 7.481 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.617 -13.319 8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.676 -10.902 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.136 -10.835 10.312 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.893 -12.859 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.613 -11.874 12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.392 -10.664 11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.909 -10.707 12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.147 -13.778 12.454 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.502 -12.685 12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.045 -13.957 10.928 1.00 0.00 H new ATOM 312 N VAL A 23 -5.980 -13.916 9.164 1.00 0.00 N ATOM 313 CA VAL A 23 -7.317 -14.325 9.578 1.00 0.00 C ATOM 314 C VAL A 23 -7.257 -15.498 10.550 1.00 0.00 C ATOM 315 O VAL A 23 -7.995 -15.540 11.533 1.00 0.00 O ATOM 316 CB VAL A 23 -8.183 -14.719 8.367 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.463 -13.507 7.492 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.507 -15.821 7.565 1.00 0.00 C ATOM 0 H VAL A 23 -5.410 -14.668 8.777 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.770 -13.468 10.076 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.136 -15.100 8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.076 -13.806 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.993 -12.753 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.521 -13.093 7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.133 -16.087 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.539 -15.470 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.365 -16.697 8.198 1.00 0.00 H new ATOM 328 N ASN A 24 -6.372 -16.448 10.268 1.00 0.00 N ATOM 329 CA ASN A 24 -6.215 -17.623 11.117 1.00 0.00 C ATOM 330 C ASN A 24 -5.332 -17.310 12.322 1.00 0.00 C ATOM 331 O ASN A 24 -4.845 -18.213 12.999 1.00 0.00 O ATOM 332 CB ASN A 24 -5.614 -18.780 10.317 1.00 0.00 C ATOM 333 CG ASN A 24 -6.674 -19.635 9.650 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.781 -19.169 9.378 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.340 -20.892 9.383 1.00 0.00 N ATOM 0 H ASN A 24 -5.752 -16.427 9.458 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.202 -17.914 11.478 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.941 -18.382 9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.013 -19.403 10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.013 -21.514 8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.411 -21.235 9.626 1.00 0.00 H new ATOM 342 N GLY A 25 -5.131 -16.021 12.582 1.00 0.00 N ATOM 343 CA GLY A 25 -4.308 -15.611 13.704 1.00 0.00 C ATOM 344 C GLY A 25 -2.832 -15.861 13.463 1.00 0.00 C ATOM 345 O GLY A 25 -1.999 -15.589 14.328 1.00 0.00 O ATOM 0 H GLY A 25 -5.524 -15.254 12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.467 -14.550 13.898 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.623 -16.149 14.598 1.00 0.00 H new ATOM 349 N VAL A 26 -2.507 -16.381 12.284 1.00 0.00 N ATOM 350 CA VAL A 26 -1.122 -16.668 11.931 1.00 0.00 C ATOM 351 C VAL A 26 -0.838 -16.305 10.477 1.00 0.00 C ATOM 352 O VAL A 26 -1.545 -16.742 9.569 1.00 0.00 O ATOM 353 CB VAL A 26 -0.782 -18.154 12.153 1.00 0.00 C ATOM 354 CG1 VAL A 26 -1.679 -19.040 11.301 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.685 -18.416 11.848 1.00 0.00 C ATOM 0 H VAL A 26 -3.184 -16.612 11.557 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.497 -16.058 12.583 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.961 -18.397 13.200 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.424 -20.086 11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.721 -18.871 11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.535 -18.798 10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.908 -19.471 12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.893 -18.157 10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.307 -17.809 12.505 1.00 0.00 H new ATOM 365 N ARG A 27 0.200 -15.503 10.265 1.00 0.00 N ATOM 366 CA ARG A 27 0.577 -15.080 8.922 1.00 0.00 C ATOM 367 C ARG A 27 1.554 -16.070 8.294 1.00 0.00 C ATOM 368 O ARG A 27 2.645 -16.295 8.817 1.00 0.00 O ATOM 369 CB ARG A 27 1.202 -13.684 8.960 1.00 0.00 C ATOM 370 CG ARG A 27 0.285 -12.622 9.545 1.00 0.00 C ATOM 371 CD ARG A 27 0.900 -11.236 9.438 1.00 0.00 C ATOM 372 NE ARG A 27 -0.009 -10.196 9.913 1.00 0.00 N ATOM 373 CZ ARG A 27 0.383 -8.969 10.236 1.00 0.00 C ATOM 374 NH1 ARG A 27 1.661 -8.629 10.134 1.00 0.00 N ATOM 375 NH2 ARG A 27 -0.504 -8.078 10.661 1.00 0.00 N ATOM 0 H ARG A 27 0.795 -15.133 11.006 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.325 -15.050 8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.120 -13.722 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.482 -13.393 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.672 -12.638 9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.081 -12.851 10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.823 -11.203 10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.168 -11.037 8.400 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.999 -10.425 10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.346 -9.311 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.959 -7.686 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.488 -8.335 10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.202 -7.136 10.909 1.00 0.00 H new ATOM 389 N GLU A 28 1.154 -16.658 7.172 1.00 0.00 N ATOM 390 CA GLU A 28 1.994 -17.625 6.475 1.00 0.00 C ATOM 391 C GLU A 28 1.945 -17.400 4.966 1.00 0.00 C ATOM 392 O GLU A 28 0.882 -17.148 4.399 1.00 0.00 O ATOM 393 CB GLU A 28 1.550 -19.052 6.804 1.00 0.00 C ATOM 394 CG GLU A 28 1.997 -19.527 8.176 1.00 0.00 C ATOM 395 CD GLU A 28 1.403 -20.871 8.550 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.337 -21.221 8.001 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.002 -21.572 9.391 1.00 0.00 O ATOM 0 H GLU A 28 0.254 -16.482 6.726 1.00 0.00 H new ATOM 0 HA GLU A 28 3.021 -17.486 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.463 -19.108 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.945 -19.730 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.085 -19.596 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.711 -18.787 8.924 1.00 0.00 H new ATOM 404 N PHE A 29 3.104 -17.493 4.322 1.00 0.00 N ATOM 405 CA PHE A 29 3.194 -17.299 2.880 1.00 0.00 C ATOM 406 C PHE A 29 2.515 -18.443 2.133 1.00 0.00 C ATOM 407 O PHE A 29 1.947 -19.348 2.745 1.00 0.00 O ATOM 408 CB PHE A 29 4.659 -17.193 2.449 1.00 0.00 C ATOM 409 CG PHE A 29 5.350 -15.966 2.972 1.00 0.00 C ATOM 410 CD1 PHE A 29 5.104 -14.724 2.410 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.246 -16.055 4.025 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.738 -13.592 2.889 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.883 -14.927 4.508 1.00 0.00 C ATOM 414 CZ PHE A 29 6.629 -13.695 3.938 1.00 0.00 C ATOM 0 H PHE A 29 3.993 -17.701 4.776 1.00 0.00 H new ATOM 0 HA PHE A 29 2.680 -16.370 2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.196 -18.077 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.710 -17.193 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.409 -14.639 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.449 -17.016 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.536 -12.629 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.578 -15.009 5.330 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.127 -12.813 4.313 1.00 0.00 H new ATOM 424 N SER A 30 2.576 -18.395 0.806 1.00 0.00 N ATOM 425 CA SER A 30 1.964 -19.424 -0.025 1.00 0.00 C ATOM 426 C SER A 30 2.907 -19.851 -1.146 1.00 0.00 C ATOM 427 O SER A 30 3.806 -19.104 -1.532 1.00 0.00 O ATOM 428 CB SER A 30 0.648 -18.915 -0.617 1.00 0.00 C ATOM 429 OG SER A 30 -0.279 -18.590 0.404 1.00 0.00 O ATOM 0 H SER A 30 3.043 -17.654 0.284 1.00 0.00 H new ATOM 0 HA SER A 30 1.761 -20.290 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.839 -18.036 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.222 -19.676 -1.271 1.00 0.00 H new ATOM 0 HG SER A 30 -1.111 -18.266 -0.000 1.00 0.00 H new ATOM 435 N GLU A 31 2.695 -21.057 -1.662 1.00 0.00 N ATOM 436 CA GLU A 31 3.527 -21.584 -2.738 1.00 0.00 C ATOM 437 C GLU A 31 3.832 -20.502 -3.770 1.00 0.00 C ATOM 438 O GLU A 31 4.959 -20.392 -4.255 1.00 0.00 O ATOM 439 CB GLU A 31 2.835 -22.769 -3.415 1.00 0.00 C ATOM 440 CG GLU A 31 1.443 -22.446 -3.931 1.00 0.00 C ATOM 441 CD GLU A 31 0.628 -23.690 -4.226 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.103 -24.539 -5.010 1.00 0.00 O ATOM 443 OE2 GLU A 31 -0.485 -23.816 -3.673 1.00 0.00 O ATOM 0 H GLU A 31 1.955 -21.687 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 31 4.467 -21.922 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.451 -23.112 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.768 -23.594 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.918 -21.838 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.525 -21.847 -4.838 1.00 0.00 H new ATOM 450 N ILE A 32 2.821 -19.705 -4.099 1.00 0.00 N ATOM 451 CA ILE A 32 2.981 -18.632 -5.072 1.00 0.00 C ATOM 452 C ILE A 32 3.965 -17.579 -4.573 1.00 0.00 C ATOM 453 O ILE A 32 5.026 -17.378 -5.164 1.00 0.00 O ATOM 454 CB ILE A 32 1.635 -17.952 -5.387 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.612 -18.989 -5.855 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.821 -16.870 -6.440 1.00 0.00 C ATOM 457 CD1 ILE A 32 1.044 -19.750 -7.088 1.00 0.00 C ATOM 0 H ILE A 32 1.883 -19.782 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 32 3.371 -19.088 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 32 1.260 -17.484 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.429 -19.697 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.334 -18.488 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.861 -16.399 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.520 -16.119 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.216 -17.315 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.271 -20.467 -7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.200 -19.052 -7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.974 -20.280 -6.881 1.00 0.00 H new ATOM 469 N GLN A 33 3.606 -16.912 -3.481 1.00 0.00 N ATOM 470 CA GLN A 33 4.459 -15.881 -2.902 1.00 0.00 C ATOM 471 C GLN A 33 5.895 -16.375 -2.766 1.00 0.00 C ATOM 472 O GLN A 33 6.838 -15.693 -3.170 1.00 0.00 O ATOM 473 CB GLN A 33 3.922 -15.454 -1.535 1.00 0.00 C ATOM 474 CG GLN A 33 2.522 -14.863 -1.588 1.00 0.00 C ATOM 475 CD GLN A 33 1.786 -14.987 -0.269 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.400 -15.161 0.784 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.462 -14.898 -0.318 1.00 0.00 N ATOM 0 H GLN A 33 2.731 -17.067 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 33 4.452 -15.021 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.918 -16.318 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.601 -14.720 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.586 -13.811 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.949 -15.365 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.007 -14.753 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.086 -14.974 0.539 1.00 0.00 H new ATOM 486 N LEU A 34 6.055 -17.564 -2.195 1.00 0.00 N ATOM 487 CA LEU A 34 7.377 -18.150 -2.005 1.00 0.00 C ATOM 488 C LEU A 34 8.099 -18.308 -3.339 1.00 0.00 C ATOM 489 O LEU A 34 9.171 -17.739 -3.548 1.00 0.00 O ATOM 490 CB LEU A 34 7.259 -19.508 -1.311 1.00 0.00 C ATOM 491 CG LEU A 34 6.367 -19.553 -0.071 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.741 -20.930 0.087 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.163 -19.181 1.172 1.00 0.00 C ATOM 0 H LEU A 34 5.285 -18.141 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 34 7.959 -17.477 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.879 -20.231 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.259 -19.836 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 34 5.566 -18.825 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.109 -20.943 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.137 -21.158 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.528 -21.678 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.512 -19.218 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.985 -19.885 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.563 -18.173 1.060 1.00 0.00 H new ATOM 505 N SER A 35 7.504 -19.083 -4.240 1.00 0.00 N ATOM 506 CA SER A 35 8.091 -19.317 -5.554 1.00 0.00 C ATOM 507 C SER A 35 8.581 -18.010 -6.171 1.00 0.00 C ATOM 508 O SER A 35 9.438 -18.012 -7.056 1.00 0.00 O ATOM 509 CB SER A 35 7.070 -19.981 -6.481 1.00 0.00 C ATOM 510 OG SER A 35 7.714 -20.661 -7.545 1.00 0.00 O ATOM 0 H SER A 35 6.616 -19.560 -4.084 1.00 0.00 H new ATOM 0 HA SER A 35 8.945 -19.982 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.461 -20.683 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.395 -19.226 -6.884 1.00 0.00 H new ATOM 0 HG SER A 35 7.040 -21.078 -8.122 1.00 0.00 H new ATOM 516 N ARG A 36 8.031 -16.897 -5.698 1.00 0.00 N ATOM 517 CA ARG A 36 8.410 -15.583 -6.203 1.00 0.00 C ATOM 518 C ARG A 36 9.482 -14.950 -5.320 1.00 0.00 C ATOM 519 O ARG A 36 10.346 -14.217 -5.803 1.00 0.00 O ATOM 520 CB ARG A 36 7.187 -14.668 -6.274 1.00 0.00 C ATOM 521 CG ARG A 36 6.113 -15.160 -7.231 1.00 0.00 C ATOM 522 CD ARG A 36 5.191 -14.031 -7.663 1.00 0.00 C ATOM 523 NE ARG A 36 3.887 -14.524 -8.098 1.00 0.00 N ATOM 524 CZ ARG A 36 2.944 -13.747 -8.618 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.159 -12.448 -8.769 1.00 0.00 N ATOM 526 NH2 ARG A 36 1.782 -14.270 -8.990 1.00 0.00 N ATOM 0 H ARG A 36 7.321 -16.879 -4.966 1.00 0.00 H new ATOM 0 HA ARG A 36 8.818 -15.711 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.757 -14.572 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.506 -13.672 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.582 -15.604 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.528 -15.945 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.057 -13.335 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.657 -13.473 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 36 3.690 -15.520 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.051 -12.042 -8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.433 -11.854 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.613 -15.269 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.058 -13.672 -9.389 1.00 0.00 H new ATOM 540 N LEU A 37 9.418 -15.236 -4.024 1.00 0.00 N ATOM 541 CA LEU A 37 10.382 -14.694 -3.073 1.00 0.00 C ATOM 542 C LEU A 37 11.754 -15.333 -3.264 1.00 0.00 C ATOM 543 O LEU A 37 12.784 -14.678 -3.105 1.00 0.00 O ATOM 544 CB LEU A 37 9.897 -14.921 -1.640 1.00 0.00 C ATOM 545 CG LEU A 37 8.753 -14.022 -1.168 1.00 0.00 C ATOM 546 CD1 LEU A 37 7.949 -14.710 -0.076 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.292 -12.687 -0.676 1.00 0.00 C ATOM 0 H LEU A 37 8.709 -15.840 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 37 10.472 -13.623 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.579 -15.959 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.742 -14.784 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 37 8.091 -13.834 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.140 -14.055 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.531 -15.640 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.599 -14.929 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.464 -12.060 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.976 -12.855 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.823 -12.188 -1.487 1.00 0.00 H new ATOM 559 N LYS A 38 11.760 -16.616 -3.610 1.00 0.00 N ATOM 560 CA LYS A 38 13.005 -17.344 -3.827 1.00 0.00 C ATOM 561 C LYS A 38 13.936 -16.566 -4.751 1.00 0.00 C ATOM 562 O LYS A 38 15.090 -16.305 -4.410 1.00 0.00 O ATOM 563 CB LYS A 38 12.715 -18.724 -4.422 1.00 0.00 C ATOM 564 CG LYS A 38 11.911 -18.674 -5.710 1.00 0.00 C ATOM 565 CD LYS A 38 11.397 -20.050 -6.099 1.00 0.00 C ATOM 566 CE LYS A 38 12.423 -20.818 -6.917 1.00 0.00 C ATOM 567 NZ LYS A 38 12.122 -22.276 -6.958 1.00 0.00 N ATOM 0 H LYS A 38 10.917 -17.173 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 38 13.498 -17.467 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.659 -19.234 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.173 -19.320 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.070 -17.991 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.532 -18.276 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.150 -20.615 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.476 -19.947 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.446 -20.423 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.415 -20.664 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.844 -22.764 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.125 -22.658 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.186 -22.425 -7.387 1.00 0.00 H new ATOM 581 N LYS A 39 13.427 -16.195 -5.921 1.00 0.00 N ATOM 582 CA LYS A 39 14.212 -15.444 -6.894 1.00 0.00 C ATOM 583 C LYS A 39 14.961 -14.298 -6.220 1.00 0.00 C ATOM 584 O LYS A 39 16.167 -14.135 -6.410 1.00 0.00 O ATOM 585 CB LYS A 39 13.305 -14.895 -7.997 1.00 0.00 C ATOM 586 CG LYS A 39 13.125 -15.848 -9.166 1.00 0.00 C ATOM 587 CD LYS A 39 12.299 -17.062 -8.774 1.00 0.00 C ATOM 588 CE LYS A 39 11.516 -17.610 -9.958 1.00 0.00 C ATOM 589 NZ LYS A 39 10.584 -18.697 -9.551 1.00 0.00 N ATOM 0 H LYS A 39 12.474 -16.402 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 39 14.942 -16.122 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.328 -14.666 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.721 -13.957 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.638 -15.326 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.101 -16.172 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.955 -17.838 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.609 -16.791 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.951 -16.803 -10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.210 -17.989 -10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.791 -18.743 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.090 -19.606 -9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.219 -18.502 -8.597 1.00 0.00 H new ATOM 603 N LEU A 40 14.239 -13.508 -5.432 1.00 0.00 N ATOM 604 CA LEU A 40 14.836 -12.378 -4.729 1.00 0.00 C ATOM 605 C LEU A 40 15.974 -12.839 -3.824 1.00 0.00 C ATOM 606 O LEU A 40 16.902 -12.082 -3.541 1.00 0.00 O ATOM 607 CB LEU A 40 13.775 -11.649 -3.902 1.00 0.00 C ATOM 608 CG LEU A 40 12.543 -11.166 -4.667 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.360 -11.003 -3.726 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.841 -9.857 -5.384 1.00 0.00 C ATOM 0 H LEU A 40 13.240 -13.629 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 40 15.243 -11.693 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.445 -12.314 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.243 -10.788 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 40 12.285 -11.917 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.492 -10.659 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.132 -11.961 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.606 -10.272 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.953 -9.527 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.124 -9.099 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.659 -10.006 -6.089 1.00 0.00 H new ATOM 622 N GLY A 41 15.897 -14.088 -3.375 1.00 0.00 N ATOM 623 CA GLY A 41 16.928 -14.630 -2.509 1.00 0.00 C ATOM 624 C GLY A 41 16.606 -14.447 -1.039 1.00 0.00 C ATOM 625 O GLY A 41 17.502 -14.459 -0.194 1.00 0.00 O ATOM 0 H GLY A 41 15.139 -14.734 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.055 -15.692 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.878 -14.145 -2.733 1.00 0.00 H new ATOM 629 N ILE A 42 15.324 -14.275 -0.733 1.00 0.00 N ATOM 630 CA ILE A 42 14.887 -14.087 0.645 1.00 0.00 C ATOM 631 C ILE A 42 14.803 -15.420 1.381 1.00 0.00 C ATOM 632 O ILE A 42 15.255 -15.542 2.520 1.00 0.00 O ATOM 633 CB ILE A 42 13.515 -13.391 0.710 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.608 -11.979 0.128 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.012 -13.346 2.145 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.260 -11.350 -0.150 1.00 0.00 C ATOM 0 H ILE A 42 14.570 -14.262 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 42 15.630 -13.453 1.129 1.00 0.00 H new ATOM 0 HB ILE A 42 12.804 -13.964 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.160 -11.345 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.182 -12.013 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.041 -12.851 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.913 -14.362 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.720 -12.793 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.403 -10.351 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.714 -11.963 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.691 -11.283 0.778 1.00 0.00 H new ATOM 648 N HIS A 43 14.224 -16.419 0.722 1.00 0.00 N ATOM 649 CA HIS A 43 14.083 -17.745 1.313 1.00 0.00 C ATOM 650 C HIS A 43 13.717 -17.645 2.791 1.00 0.00 C ATOM 651 O HIS A 43 14.381 -18.229 3.647 1.00 0.00 O ATOM 652 CB HIS A 43 15.379 -18.540 1.149 1.00 0.00 C ATOM 653 CG HIS A 43 15.805 -18.703 -0.277 1.00 0.00 C ATOM 654 ND1 HIS A 43 15.108 -19.468 -1.188 1.00 0.00 N ATOM 655 CD2 HIS A 43 16.864 -18.192 -0.949 1.00 0.00 C ATOM 656 CE1 HIS A 43 15.721 -19.423 -2.358 1.00 0.00 C ATOM 657 NE2 HIS A 43 16.789 -18.654 -2.239 1.00 0.00 N ATOM 0 H HIS A 43 13.845 -16.335 -0.221 1.00 0.00 H new ATOM 0 HA HIS A 43 13.279 -18.264 0.792 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.174 -18.041 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 43 15.250 -19.526 1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.626 -17.542 -0.545 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.403 -19.929 -3.258 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.450 -18.439 -2.985 1.00 0.00 H new ATOM 666 N LYS A 44 12.656 -16.900 3.084 1.00 0.00 N ATOM 667 CA LYS A 44 12.200 -16.723 4.457 1.00 0.00 C ATOM 668 C LYS A 44 10.736 -17.124 4.601 1.00 0.00 C ATOM 669 O LYS A 44 9.837 -16.399 4.172 1.00 0.00 O ATOM 670 CB LYS A 44 12.387 -15.269 4.895 1.00 0.00 C ATOM 671 CG LYS A 44 13.750 -14.986 5.502 1.00 0.00 C ATOM 672 CD LYS A 44 14.075 -13.502 5.478 1.00 0.00 C ATOM 673 CE LYS A 44 15.575 -13.261 5.393 1.00 0.00 C ATOM 674 NZ LYS A 44 16.270 -13.645 6.652 1.00 0.00 N ATOM 0 H LYS A 44 12.096 -16.409 2.388 1.00 0.00 H new ATOM 0 HA LYS A 44 12.800 -17.369 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.240 -14.617 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.615 -15.015 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.773 -15.348 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.515 -15.536 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.581 -13.034 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.679 -13.027 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.988 -13.832 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.762 -12.208 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.290 -13.466 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.894 -13.082 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.113 -14.655 6.841 1.00 0.00 H new ATOM 688 N THR A 45 10.501 -18.283 5.207 1.00 0.00 N ATOM 689 CA THR A 45 9.146 -18.781 5.408 1.00 0.00 C ATOM 690 C THR A 45 8.510 -18.160 6.646 1.00 0.00 C ATOM 691 O THR A 45 7.879 -18.853 7.445 1.00 0.00 O ATOM 692 CB THR A 45 9.125 -20.314 5.547 1.00 0.00 C ATOM 693 OG1 THR A 45 9.996 -20.722 6.608 1.00 0.00 O ATOM 694 CG2 THR A 45 9.551 -20.982 4.249 1.00 0.00 C ATOM 0 H THR A 45 11.233 -18.895 5.568 1.00 0.00 H new ATOM 0 HA THR A 45 8.571 -18.497 4.527 1.00 0.00 H new ATOM 0 HB THR A 45 8.105 -20.621 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.976 -21.698 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.528 -22.065 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.868 -20.693 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.563 -20.667 3.993 1.00 0.00 H new ATOM 702 N ASP A 46 8.679 -16.851 6.800 1.00 0.00 N ATOM 703 CA ASP A 46 8.119 -16.137 7.941 1.00 0.00 C ATOM 704 C ASP A 46 7.963 -14.652 7.629 1.00 0.00 C ATOM 705 O ASP A 46 8.917 -13.967 7.258 1.00 0.00 O ATOM 706 CB ASP A 46 9.009 -16.322 9.172 1.00 0.00 C ATOM 707 CG ASP A 46 8.662 -15.355 10.287 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.504 -14.890 10.331 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.549 -15.064 11.116 1.00 0.00 O ATOM 0 H ASP A 46 9.199 -16.263 6.149 1.00 0.00 H new ATOM 0 HA ASP A 46 7.133 -16.551 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.911 -17.344 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.052 -16.184 8.887 1.00 0.00 H new ATOM 714 N PRO A 47 6.732 -14.141 7.781 1.00 0.00 N ATOM 715 CA PRO A 47 6.422 -12.732 7.521 1.00 0.00 C ATOM 716 C PRO A 47 7.043 -11.801 8.556 1.00 0.00 C ATOM 717 O PRO A 47 6.855 -10.585 8.504 1.00 0.00 O ATOM 718 CB PRO A 47 4.895 -12.684 7.606 1.00 0.00 C ATOM 719 CG PRO A 47 4.528 -13.828 8.486 1.00 0.00 C ATOM 720 CD PRO A 47 5.549 -14.899 8.220 1.00 0.00 C ATOM 0 HA PRO A 47 6.820 -12.397 6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.551 -11.738 8.023 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.440 -12.781 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.537 -13.532 9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.522 -14.184 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.757 -15.487 9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.210 -15.595 7.453 1.00 0.00 H new ATOM 728 N SER A 48 7.784 -12.378 9.496 1.00 0.00 N ATOM 729 CA SER A 48 8.431 -11.599 10.546 1.00 0.00 C ATOM 730 C SER A 48 9.903 -11.367 10.222 1.00 0.00 C ATOM 731 O SER A 48 10.452 -10.300 10.499 1.00 0.00 O ATOM 732 CB SER A 48 8.300 -12.313 11.893 1.00 0.00 C ATOM 733 OG SER A 48 7.116 -11.919 12.565 1.00 0.00 O ATOM 0 H SER A 48 7.952 -13.383 9.552 1.00 0.00 H new ATOM 0 HA SER A 48 7.933 -10.631 10.605 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.292 -13.392 11.737 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.167 -12.087 12.514 1.00 0.00 H new ATOM 0 HG SER A 48 7.054 -12.390 13.422 1.00 0.00 H new ATOM 739 N THR A 49 10.539 -12.374 9.631 1.00 0.00 N ATOM 740 CA THR A 49 11.948 -12.282 9.270 1.00 0.00 C ATOM 741 C THR A 49 12.171 -11.224 8.196 1.00 0.00 C ATOM 742 O THR A 49 13.016 -10.340 8.346 1.00 0.00 O ATOM 743 CB THR A 49 12.487 -13.633 8.763 1.00 0.00 C ATOM 744 OG1 THR A 49 11.679 -14.109 7.682 1.00 0.00 O ATOM 745 CG2 THR A 49 12.504 -14.663 9.883 1.00 0.00 C ATOM 0 H THR A 49 10.100 -13.263 9.392 1.00 0.00 H new ATOM 0 HA THR A 49 12.489 -11.999 10.173 1.00 0.00 H new ATOM 0 HB THR A 49 13.508 -13.483 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.732 -14.006 7.912 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.888 -15.609 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 49 13.144 -14.311 10.692 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.491 -14.808 10.259 1.00 0.00 H new ATOM 753 N LEU A 50 11.409 -11.317 7.111 1.00 0.00 N ATOM 754 CA LEU A 50 11.524 -10.366 6.011 1.00 0.00 C ATOM 755 C LEU A 50 11.685 -8.943 6.536 1.00 0.00 C ATOM 756 O LEU A 50 10.894 -8.480 7.359 1.00 0.00 O ATOM 757 CB LEU A 50 10.293 -10.453 5.106 1.00 0.00 C ATOM 758 CG LEU A 50 10.340 -11.516 4.009 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.845 -12.852 4.538 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.516 -11.078 2.806 1.00 0.00 C ATOM 0 H LEU A 50 10.705 -12.041 6.970 1.00 0.00 H new ATOM 0 HA LEU A 50 12.412 -10.622 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.420 -10.643 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.143 -9.481 4.636 1.00 0.00 H new ATOM 0 HG LEU A 50 11.376 -11.636 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.886 -13.596 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.477 -13.172 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.817 -12.748 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.561 -11.847 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.480 -10.929 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.917 -10.144 2.411 1.00 0.00 H new ATOM 772 N THR A 51 12.713 -8.252 6.053 1.00 0.00 N ATOM 773 CA THR A 51 12.977 -6.882 6.472 1.00 0.00 C ATOM 774 C THR A 51 12.381 -5.882 5.488 1.00 0.00 C ATOM 775 O THR A 51 12.091 -6.223 4.342 1.00 0.00 O ATOM 776 CB THR A 51 14.489 -6.616 6.604 1.00 0.00 C ATOM 777 OG1 THR A 51 15.092 -6.567 5.306 1.00 0.00 O ATOM 778 CG2 THR A 51 15.157 -7.698 7.438 1.00 0.00 C ATOM 0 H THR A 51 13.376 -8.620 5.371 1.00 0.00 H new ATOM 0 HA THR A 51 12.507 -6.753 7.447 1.00 0.00 H new ATOM 0 HB THR A 51 14.625 -5.657 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.631 -7.373 5.165 1.00 0.00 H new ATOM 0 HG21 THR A 51 16.224 -7.489 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.715 -7.714 8.434 1.00 0.00 H new ATOM 0 HG23 THR A 51 15.011 -8.667 6.961 1.00 0.00 H new ATOM 786 N GLU A 52 12.201 -4.646 5.944 1.00 0.00 N ATOM 787 CA GLU A 52 11.639 -3.596 5.102 1.00 0.00 C ATOM 788 C GLU A 52 12.081 -3.767 3.651 1.00 0.00 C ATOM 789 O GLU A 52 11.257 -3.762 2.737 1.00 0.00 O ATOM 790 CB GLU A 52 12.062 -2.218 5.616 1.00 0.00 C ATOM 791 CG GLU A 52 11.241 -1.732 6.799 1.00 0.00 C ATOM 792 CD GLU A 52 11.470 -0.264 7.104 1.00 0.00 C ATOM 793 OE1 GLU A 52 11.175 0.576 6.229 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.945 0.043 8.217 1.00 0.00 O ATOM 0 H GLU A 52 12.436 -4.348 6.891 1.00 0.00 H new ATOM 0 HA GLU A 52 10.553 -3.674 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.113 -2.254 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.978 -1.495 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.183 -1.896 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.491 -2.325 7.678 1.00 0.00 H new ATOM 801 N GLU A 53 13.386 -3.918 3.450 1.00 0.00 N ATOM 802 CA GLU A 53 13.937 -4.089 2.111 1.00 0.00 C ATOM 803 C GLU A 53 13.272 -5.261 1.394 1.00 0.00 C ATOM 804 O GLU A 53 12.857 -5.142 0.242 1.00 0.00 O ATOM 805 CB GLU A 53 15.449 -4.312 2.182 1.00 0.00 C ATOM 806 CG GLU A 53 16.195 -3.823 0.951 1.00 0.00 C ATOM 807 CD GLU A 53 17.700 -3.839 1.137 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.252 -4.923 1.416 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.324 -2.766 1.003 1.00 0.00 O ATOM 0 H GLU A 53 14.081 -3.925 4.197 1.00 0.00 H new ATOM 0 HA GLU A 53 13.737 -3.179 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.842 -3.802 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.645 -5.376 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.931 -4.449 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.873 -2.809 0.714 1.00 0.00 H new ATOM 816 N GLU A 54 13.174 -6.392 2.087 1.00 0.00 N ATOM 817 CA GLU A 54 12.561 -7.585 1.516 1.00 0.00 C ATOM 818 C GLU A 54 11.056 -7.398 1.351 1.00 0.00 C ATOM 819 O GLU A 54 10.439 -7.988 0.464 1.00 0.00 O ATOM 820 CB GLU A 54 12.841 -8.802 2.401 1.00 0.00 C ATOM 821 CG GLU A 54 14.296 -9.239 2.393 1.00 0.00 C ATOM 822 CD GLU A 54 15.120 -8.542 3.459 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.061 -8.971 4.630 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.824 -7.568 3.121 1.00 0.00 O ATOM 0 H GLU A 54 13.511 -6.506 3.043 1.00 0.00 H new ATOM 0 HA GLU A 54 12.999 -7.752 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.545 -8.572 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.219 -9.633 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.349 -10.317 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.728 -9.034 1.413 1.00 0.00 H new ATOM 831 N VAL A 55 10.470 -6.572 2.213 1.00 0.00 N ATOM 832 CA VAL A 55 9.038 -6.306 2.163 1.00 0.00 C ATOM 833 C VAL A 55 8.677 -5.465 0.944 1.00 0.00 C ATOM 834 O VAL A 55 7.786 -5.821 0.173 1.00 0.00 O ATOM 835 CB VAL A 55 8.557 -5.580 3.434 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.076 -5.249 3.333 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.841 -6.424 4.668 1.00 0.00 C ATOM 0 H VAL A 55 10.966 -6.076 2.954 1.00 0.00 H new ATOM 0 HA VAL A 55 8.539 -7.273 2.095 1.00 0.00 H new ATOM 0 HB VAL A 55 9.107 -4.644 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.755 -4.737 4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.905 -4.603 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.505 -6.170 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.495 -5.897 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.318 -7.377 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.913 -6.604 4.747 1.00 0.00 H new ATOM 847 N ARG A 56 9.376 -4.347 0.776 1.00 0.00 N ATOM 848 CA ARG A 56 9.129 -3.454 -0.350 1.00 0.00 C ATOM 849 C ARG A 56 9.433 -4.150 -1.673 1.00 0.00 C ATOM 850 O ARG A 56 8.707 -3.988 -2.654 1.00 0.00 O ATOM 851 CB ARG A 56 9.978 -2.188 -0.220 1.00 0.00 C ATOM 852 CG ARG A 56 11.473 -2.459 -0.182 1.00 0.00 C ATOM 853 CD ARG A 56 12.270 -1.170 -0.062 1.00 0.00 C ATOM 854 NE ARG A 56 12.418 -0.495 -1.349 1.00 0.00 N ATOM 855 CZ ARG A 56 12.977 0.701 -1.491 1.00 0.00 C ATOM 856 NH1 ARG A 56 13.438 1.352 -0.432 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.075 1.250 -2.696 1.00 0.00 N ATOM 0 H ARG A 56 10.117 -4.038 1.405 1.00 0.00 H new ATOM 0 HA ARG A 56 8.074 -3.179 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.758 -1.526 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.690 -1.659 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.704 -3.111 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.771 -2.989 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.775 -0.502 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.256 -1.390 0.347 1.00 0.00 H new ATOM 0 HE ARG A 56 12.073 -0.968 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.364 0.934 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.867 2.271 -0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.721 0.753 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.504 2.169 -2.804 1.00 0.00 H new ATOM 871 N LYS A 57 10.512 -4.925 -1.694 1.00 0.00 N ATOM 872 CA LYS A 57 10.913 -5.647 -2.895 1.00 0.00 C ATOM 873 C LYS A 57 9.852 -6.665 -3.298 1.00 0.00 C ATOM 874 O LYS A 57 9.483 -6.762 -4.469 1.00 0.00 O ATOM 875 CB LYS A 57 12.252 -6.353 -2.667 1.00 0.00 C ATOM 876 CG LYS A 57 13.458 -5.467 -2.922 1.00 0.00 C ATOM 877 CD LYS A 57 14.717 -6.288 -3.143 1.00 0.00 C ATOM 878 CE LYS A 57 15.316 -6.757 -1.826 1.00 0.00 C ATOM 879 NZ LYS A 57 16.708 -7.257 -1.996 1.00 0.00 N ATOM 0 H LYS A 57 11.125 -5.069 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 57 11.023 -4.924 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.290 -6.718 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.309 -7.225 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.273 -4.841 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.604 -4.797 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.485 -7.152 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.451 -5.692 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.311 -5.934 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.695 -7.548 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.080 -7.567 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.710 -8.059 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.307 -6.495 -2.373 1.00 0.00 H new ATOM 893 N PHE A 58 9.362 -7.422 -2.321 1.00 0.00 N ATOM 894 CA PHE A 58 8.342 -8.432 -2.575 1.00 0.00 C ATOM 895 C PHE A 58 7.084 -7.799 -3.162 1.00 0.00 C ATOM 896 O PHE A 58 6.390 -8.410 -3.974 1.00 0.00 O ATOM 897 CB PHE A 58 7.997 -9.175 -1.282 1.00 0.00 C ATOM 898 CG PHE A 58 6.728 -9.973 -1.370 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.569 -10.941 -2.348 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.694 -9.755 -0.474 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.402 -11.677 -2.431 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.525 -10.489 -0.552 1.00 0.00 C ATOM 903 CZ PHE A 58 4.379 -11.450 -1.532 1.00 0.00 C ATOM 0 H PHE A 58 9.655 -7.355 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 58 8.742 -9.142 -3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.820 -9.843 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.907 -8.453 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.366 -11.123 -3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.802 -9.003 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.290 -12.429 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.727 -10.311 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.466 -12.023 -1.595 1.00 0.00 H new ATOM 913 N ALA A 59 6.796 -6.571 -2.744 1.00 0.00 N ATOM 914 CA ALA A 59 5.623 -5.854 -3.229 1.00 0.00 C ATOM 915 C ALA A 59 5.794 -5.444 -4.688 1.00 0.00 C ATOM 916 O ALA A 59 4.872 -5.577 -5.492 1.00 0.00 O ATOM 917 CB ALA A 59 5.356 -4.632 -2.363 1.00 0.00 C ATOM 0 H ALA A 59 7.359 -6.052 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 59 4.766 -6.525 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.477 -4.106 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.180 -4.946 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.219 -3.967 -2.397 1.00 0.00 H new ATOM 923 N ARG A 60 6.980 -4.946 -5.022 1.00 0.00 N ATOM 924 CA ARG A 60 7.271 -4.515 -6.384 1.00 0.00 C ATOM 925 C ARG A 60 6.576 -5.417 -7.400 1.00 0.00 C ATOM 926 O ARG A 60 5.853 -4.941 -8.277 1.00 0.00 O ATOM 927 CB ARG A 60 8.781 -4.519 -6.632 1.00 0.00 C ATOM 928 CG ARG A 60 9.520 -3.406 -5.906 1.00 0.00 C ATOM 929 CD ARG A 60 8.897 -2.048 -6.187 1.00 0.00 C ATOM 930 NE ARG A 60 9.877 -0.968 -6.103 1.00 0.00 N ATOM 931 CZ ARG A 60 9.590 0.305 -6.349 1.00 0.00 C ATOM 932 NH1 ARG A 60 8.359 0.657 -6.693 1.00 0.00 N ATOM 933 NH2 ARG A 60 10.537 1.230 -6.251 1.00 0.00 N ATOM 0 H ARG A 60 7.755 -4.831 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 60 6.892 -3.500 -6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.190 -5.480 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.965 -4.428 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.507 -3.599 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.565 -3.399 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.448 -2.054 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.093 -1.864 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 60 10.834 -1.205 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.629 -0.051 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.142 1.636 -6.881 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.485 0.963 -5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.316 2.208 -6.440 1.00 0.00 H new ATOM 947 N LEU A 61 6.800 -6.721 -7.277 1.00 0.00 N ATOM 948 CA LEU A 61 6.197 -7.690 -8.184 1.00 0.00 C ATOM 949 C LEU A 61 4.739 -7.338 -8.466 1.00 0.00 C ATOM 950 O LEU A 61 4.344 -7.168 -9.618 1.00 0.00 O ATOM 951 CB LEU A 61 6.288 -9.098 -7.592 1.00 0.00 C ATOM 952 CG LEU A 61 7.689 -9.576 -7.212 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.609 -10.776 -6.281 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.492 -9.919 -8.458 1.00 0.00 C ATOM 0 H LEU A 61 7.395 -7.131 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 61 6.747 -7.662 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.658 -9.138 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.869 -9.801 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 61 8.198 -8.767 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.616 -11.103 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.072 -10.498 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.081 -11.589 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.487 -10.257 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.986 -10.711 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.579 -9.035 -9.089 1.00 0.00 H new