USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 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 -22:sc= 0.414 USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0809) USER MOD Single : A 16 TYR OH : rot 168:sc= -0.377 USER MOD Single : A 17 ASN : amide:sc= -1.96! C(o=-2!,f=-4!) USER MOD Single : A 24 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.04) USER MOD Single : A 30 SER OG : rot 180:sc= -0.154 USER MOD Single : A 33 GLN : amide:sc= -2.92 K(o=-2.9,f=-9.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= -0.167 (180deg=-0.209) 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 -25:sc= -0.531 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00988 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 2.377 2.718 1.886 1.00 0.00 N ATOM 109 CA THR A 11 2.271 2.096 0.573 1.00 0.00 C ATOM 110 C THR A 11 2.701 0.634 0.621 1.00 0.00 C ATOM 111 O THR A 11 1.868 -0.271 0.562 1.00 0.00 O ATOM 112 CB THR A 11 3.126 2.837 -0.472 1.00 0.00 C ATOM 113 OG1 THR A 11 4.408 3.155 0.081 1.00 0.00 O ATOM 114 CG2 THR A 11 2.436 4.112 -0.931 1.00 0.00 C ATOM 0 HA THR A 11 1.223 2.155 0.280 1.00 0.00 H new ATOM 0 HB THR A 11 3.254 2.182 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.349 3.167 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.059 4.618 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.473 3.864 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.280 4.770 -0.076 1.00 0.00 H new ATOM 122 N ASP A 12 4.006 0.410 0.729 1.00 0.00 N ATOM 123 CA ASP A 12 4.547 -0.944 0.787 1.00 0.00 C ATOM 124 C ASP A 12 3.850 -1.761 1.871 1.00 0.00 C ATOM 125 O ASP A 12 3.658 -2.969 1.726 1.00 0.00 O ATOM 126 CB ASP A 12 6.053 -0.903 1.050 1.00 0.00 C ATOM 127 CG ASP A 12 6.455 0.264 1.931 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.350 0.137 3.168 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.874 1.305 1.382 1.00 0.00 O ATOM 0 H ASP A 12 4.709 1.148 0.778 1.00 0.00 H new ATOM 0 HA ASP A 12 4.367 -1.423 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.362 -1.835 1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.583 -0.837 0.100 1.00 0.00 H new ATOM 134 N LYS A 13 3.475 -1.095 2.957 1.00 0.00 N ATOM 135 CA LYS A 13 2.799 -1.759 4.067 1.00 0.00 C ATOM 136 C LYS A 13 1.430 -2.277 3.638 1.00 0.00 C ATOM 137 O LYS A 13 1.152 -3.472 3.729 1.00 0.00 O ATOM 138 CB LYS A 13 2.646 -0.796 5.246 1.00 0.00 C ATOM 139 CG LYS A 13 2.636 -1.488 6.598 1.00 0.00 C ATOM 140 CD LYS A 13 2.936 -0.514 7.725 1.00 0.00 C ATOM 141 CE LYS A 13 3.225 -1.242 9.029 1.00 0.00 C ATOM 142 NZ LYS A 13 4.564 -1.893 9.017 1.00 0.00 N ATOM 0 H LYS A 13 3.627 -0.096 3.093 1.00 0.00 H new ATOM 0 HA LYS A 13 3.408 -2.608 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.462 -0.074 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.719 -0.234 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.663 -1.950 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.374 -2.290 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.792 0.104 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.088 0.158 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.172 -0.536 9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.457 -1.995 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.794 -2.231 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.553 -2.698 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.282 -1.205 8.711 1.00 0.00 H new ATOM 156 N ALA A 14 0.579 -1.370 3.170 1.00 0.00 N ATOM 157 CA ALA A 14 -0.759 -1.736 2.724 1.00 0.00 C ATOM 158 C ALA A 14 -0.710 -2.895 1.734 1.00 0.00 C ATOM 159 O ALA A 14 -1.597 -3.749 1.718 1.00 0.00 O ATOM 160 CB ALA A 14 -1.456 -0.536 2.102 1.00 0.00 C ATOM 0 H ALA A 14 0.793 -0.376 3.090 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.329 -2.061 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.454 -0.825 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.534 0.262 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.880 -0.184 1.246 1.00 0.00 H new ATOM 166 N LEU A 15 0.330 -2.917 0.908 1.00 0.00 N ATOM 167 CA LEU A 15 0.495 -3.970 -0.087 1.00 0.00 C ATOM 168 C LEU A 15 0.927 -5.278 0.570 1.00 0.00 C ATOM 169 O LEU A 15 0.652 -6.362 0.056 1.00 0.00 O ATOM 170 CB LEU A 15 1.524 -3.550 -1.138 1.00 0.00 C ATOM 171 CG LEU A 15 1.309 -2.178 -1.777 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.639 -1.568 -2.191 1.00 0.00 C ATOM 173 CD2 LEU A 15 0.374 -2.286 -2.973 1.00 0.00 C ATOM 0 H LEU A 15 1.072 -2.217 0.908 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.467 -4.130 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.511 -3.563 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.532 -4.300 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 15 0.846 -1.523 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.466 -0.592 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.276 -1.453 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.130 -2.221 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.233 -1.300 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.808 -2.957 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.589 -2.679 -2.648 1.00 0.00 H new ATOM 185 N TYR A 16 1.602 -5.166 1.708 1.00 0.00 N ATOM 186 CA TYR A 16 2.072 -6.339 2.436 1.00 0.00 C ATOM 187 C TYR A 16 0.920 -7.028 3.161 1.00 0.00 C ATOM 188 O TYR A 16 0.872 -8.254 3.250 1.00 0.00 O ATOM 189 CB TYR A 16 3.156 -5.943 3.439 1.00 0.00 C ATOM 190 CG TYR A 16 4.105 -7.068 3.781 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.685 -7.842 2.783 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.423 -7.359 5.102 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.552 -8.872 3.091 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.291 -8.386 5.419 1.00 0.00 C ATOM 195 CZ TYR A 16 5.853 -9.140 4.410 1.00 0.00 C ATOM 196 OH TYR A 16 6.716 -10.165 4.722 1.00 0.00 O ATOM 0 H TYR A 16 1.836 -4.275 2.147 1.00 0.00 H new ATOM 0 HA TYR A 16 2.493 -7.038 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.727 -5.108 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.681 -5.589 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.454 -7.634 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.984 -6.772 5.895 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.992 -9.465 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.528 -8.597 6.451 1.00 0.00 H new ATOM 0 HH TYR A 16 6.970 -10.103 5.666 1.00 0.00 H new ATOM 206 N ASN A 17 -0.008 -6.229 3.677 1.00 0.00 N ATOM 207 CA ASN A 17 -1.161 -6.761 4.395 1.00 0.00 C ATOM 208 C ASN A 17 -2.081 -7.531 3.452 1.00 0.00 C ATOM 209 O ASN A 17 -2.444 -8.676 3.721 1.00 0.00 O ATOM 210 CB ASN A 17 -1.936 -5.626 5.068 1.00 0.00 C ATOM 211 CG ASN A 17 -1.081 -4.842 6.045 1.00 0.00 C ATOM 212 OD1 ASN A 17 -0.956 -5.211 7.213 1.00 0.00 O ATOM 213 ND2 ASN A 17 -0.488 -3.753 5.569 1.00 0.00 N ATOM 0 H ASN A 17 0.016 -5.211 3.612 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.797 -7.447 5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.322 -4.951 4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.797 -6.039 5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.100 -3.184 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.620 -3.485 4.594 1.00 0.00 H new ATOM 220 N ARG A 18 -2.454 -6.894 2.347 1.00 0.00 N ATOM 221 CA ARG A 18 -3.332 -7.518 1.365 1.00 0.00 C ATOM 222 C ARG A 18 -2.707 -8.795 0.811 1.00 0.00 C ATOM 223 O ARG A 18 -3.367 -9.831 0.714 1.00 0.00 O ATOM 224 CB ARG A 18 -3.627 -6.545 0.221 1.00 0.00 C ATOM 225 CG ARG A 18 -2.643 -6.646 -0.933 1.00 0.00 C ATOM 226 CD ARG A 18 -3.017 -5.703 -2.067 1.00 0.00 C ATOM 227 NE ARG A 18 -2.174 -5.901 -3.243 1.00 0.00 N ATOM 228 CZ ARG A 18 -2.228 -6.982 -4.012 1.00 0.00 C ATOM 229 NH1 ARG A 18 -3.080 -7.958 -3.732 1.00 0.00 N ATOM 230 NH2 ARG A 18 -1.428 -7.088 -5.066 1.00 0.00 N ATOM 0 H ARG A 18 -2.162 -5.946 2.109 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.266 -7.777 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.633 -6.732 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.615 -5.527 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.639 -6.411 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.618 -7.671 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.061 -5.859 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.927 -4.672 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.507 -5.169 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.697 -7.880 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.119 -8.787 -4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.771 -6.339 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.470 -7.919 -5.656 1.00 0.00 H new ATOM 244 N LEU A 19 -1.431 -8.715 0.449 1.00 0.00 N ATOM 245 CA LEU A 19 -0.716 -9.864 -0.096 1.00 0.00 C ATOM 246 C LEU A 19 -0.724 -11.027 0.891 1.00 0.00 C ATOM 247 O LEU A 19 -0.895 -12.183 0.503 1.00 0.00 O ATOM 248 CB LEU A 19 0.724 -9.478 -0.437 1.00 0.00 C ATOM 249 CG LEU A 19 0.906 -8.567 -1.651 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.234 -7.831 -1.572 1.00 0.00 C ATOM 251 CD2 LEU A 19 0.815 -9.371 -2.940 1.00 0.00 C ATOM 0 H LEU A 19 -0.870 -7.866 0.523 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.225 -10.181 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.162 -8.985 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.294 -10.392 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 19 0.104 -7.828 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.346 -7.187 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.260 -7.223 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.050 -8.554 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.947 -8.706 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.595 -10.133 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.162 -9.851 -3.001 1.00 0.00 H new ATOM 263 N VAL A 20 -0.539 -10.713 2.169 1.00 0.00 N ATOM 264 CA VAL A 20 -0.528 -11.732 3.213 1.00 0.00 C ATOM 265 C VAL A 20 -1.669 -11.520 4.200 1.00 0.00 C ATOM 266 O VAL A 20 -1.492 -10.957 5.281 1.00 0.00 O ATOM 267 CB VAL A 20 0.807 -11.733 3.981 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.788 -12.781 5.083 1.00 0.00 C ATOM 269 CG2 VAL A 20 1.969 -11.971 3.028 1.00 0.00 C ATOM 0 H VAL A 20 -0.395 -9.761 2.507 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.655 -12.695 2.717 1.00 0.00 H new ATOM 0 HB VAL A 20 0.941 -10.755 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.739 -12.767 5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.021 -12.561 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.632 -13.767 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.905 -11.969 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.844 -12.935 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.992 -11.180 2.278 1.00 0.00 H new ATOM 279 N PRO A 21 -2.871 -11.980 3.823 1.00 0.00 N ATOM 280 CA PRO A 21 -4.067 -11.853 4.662 1.00 0.00 C ATOM 281 C PRO A 21 -4.005 -12.744 5.898 1.00 0.00 C ATOM 282 O PRO A 21 -3.044 -13.491 6.090 1.00 0.00 O ATOM 283 CB PRO A 21 -5.200 -12.302 3.735 1.00 0.00 C ATOM 284 CG PRO A 21 -4.545 -13.202 2.745 1.00 0.00 C ATOM 285 CD PRO A 21 -3.156 -12.660 2.548 1.00 0.00 C ATOM 0 HA PRO A 21 -4.189 -10.841 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.981 -12.824 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.671 -11.450 3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.515 -14.228 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.096 -13.215 1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.439 -13.456 2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.110 -11.970 1.705 1.00 0.00 H new ATOM 293 N LEU A 22 -5.034 -12.661 6.733 1.00 0.00 N ATOM 294 CA LEU A 22 -5.097 -13.461 7.952 1.00 0.00 C ATOM 295 C LEU A 22 -6.412 -14.229 8.032 1.00 0.00 C ATOM 296 O LEU A 22 -7.478 -13.639 8.204 1.00 0.00 O ATOM 297 CB LEU A 22 -4.941 -12.565 9.182 1.00 0.00 C ATOM 298 CG LEU A 22 -4.504 -13.264 10.470 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.362 -14.229 10.193 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.097 -12.240 11.520 1.00 0.00 C ATOM 0 H LEU A 22 -5.837 -12.048 6.589 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.278 -14.180 7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.214 -11.787 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.893 -12.067 9.367 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.349 -13.835 10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.065 -14.717 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.688 -14.982 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.514 -13.681 9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.789 -12.755 12.430 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.267 -11.642 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.943 -11.589 11.740 1.00 0.00 H new ATOM 312 N VAL A 23 -6.328 -15.550 7.907 1.00 0.00 N ATOM 313 CA VAL A 23 -7.511 -16.400 7.969 1.00 0.00 C ATOM 314 C VAL A 23 -7.330 -17.521 8.986 1.00 0.00 C ATOM 315 O VAL A 23 -8.236 -17.822 9.761 1.00 0.00 O ATOM 316 CB VAL A 23 -7.832 -17.016 6.594 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.389 -15.959 5.652 1.00 0.00 C ATOM 318 CG2 VAL A 23 -6.593 -17.670 6.001 1.00 0.00 C ATOM 0 H VAL A 23 -5.453 -16.054 7.762 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.341 -15.765 8.277 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.592 -17.785 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.610 -16.413 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.303 -15.541 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.654 -15.165 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.838 -18.100 5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.810 -16.922 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.242 -18.457 6.668 1.00 0.00 H new ATOM 328 N ASN A 24 -6.152 -18.137 8.976 1.00 0.00 N ATOM 329 CA ASN A 24 -5.851 -19.226 9.898 1.00 0.00 C ATOM 330 C ASN A 24 -5.391 -18.684 11.248 1.00 0.00 C ATOM 331 O ASN A 24 -4.973 -19.441 12.123 1.00 0.00 O ATOM 332 CB ASN A 24 -4.774 -20.138 9.309 1.00 0.00 C ATOM 333 CG ASN A 24 -5.348 -21.175 8.363 1.00 0.00 C ATOM 334 OD1 ASN A 24 -4.912 -21.296 7.218 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.333 -21.928 8.838 1.00 0.00 N ATOM 0 H ASN A 24 -5.391 -17.900 8.340 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.763 -19.803 10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.040 -19.532 8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.246 -20.642 10.119 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.760 -22.642 8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.663 -21.793 9.794 1.00 0.00 H new ATOM 342 N GLY A 25 -5.473 -17.367 11.411 1.00 0.00 N ATOM 343 CA GLY A 25 -5.063 -16.746 12.656 1.00 0.00 C ATOM 344 C GLY A 25 -3.566 -16.517 12.725 1.00 0.00 C ATOM 345 O GLY A 25 -3.053 -16.014 13.724 1.00 0.00 O ATOM 0 H GLY A 25 -5.816 -16.719 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.579 -15.793 12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.370 -17.376 13.491 1.00 0.00 H new ATOM 349 N VAL A 26 -2.863 -16.889 11.660 1.00 0.00 N ATOM 350 CA VAL A 26 -1.416 -16.722 11.603 1.00 0.00 C ATOM 351 C VAL A 26 -0.949 -16.457 10.176 1.00 0.00 C ATOM 352 O VAL A 26 -1.109 -17.300 9.293 1.00 0.00 O ATOM 353 CB VAL A 26 -0.686 -17.964 12.148 1.00 0.00 C ATOM 354 CG1 VAL A 26 -1.159 -19.219 11.432 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.820 -17.799 12.012 1.00 0.00 C ATOM 0 H VAL A 26 -3.272 -17.308 10.825 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.172 -15.863 12.228 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.923 -18.067 13.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.632 -20.086 11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.231 -19.344 11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.954 -19.129 10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.320 -18.686 12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.078 -17.669 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.142 -16.923 12.575 1.00 0.00 H new ATOM 365 N ARG A 27 -0.370 -15.281 9.957 1.00 0.00 N ATOM 366 CA ARG A 27 0.120 -14.905 8.637 1.00 0.00 C ATOM 367 C ARG A 27 1.138 -15.920 8.125 1.00 0.00 C ATOM 368 O ARG A 27 2.111 -16.236 8.808 1.00 0.00 O ATOM 369 CB ARG A 27 0.752 -13.512 8.682 1.00 0.00 C ATOM 370 CG ARG A 27 -0.264 -12.382 8.650 1.00 0.00 C ATOM 371 CD ARG A 27 0.414 -11.029 8.495 1.00 0.00 C ATOM 372 NE ARG A 27 -0.454 -9.931 8.913 1.00 0.00 N ATOM 373 CZ ARG A 27 -0.315 -8.681 8.487 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.652 -8.371 7.634 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.145 -7.737 8.913 1.00 0.00 N ATOM 0 H ARG A 27 -0.229 -14.572 10.677 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.729 -14.890 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.353 -13.424 9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.431 -13.403 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.959 -12.539 7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.852 -12.393 9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.330 -11.012 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.704 -10.886 7.454 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.208 -10.136 9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.291 -9.094 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.756 -7.410 7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.891 -7.971 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.037 -6.777 8.585 1.00 0.00 H new ATOM 389 N GLU A 28 0.905 -16.427 6.918 1.00 0.00 N ATOM 390 CA GLU A 28 1.801 -17.407 6.316 1.00 0.00 C ATOM 391 C GLU A 28 1.773 -17.306 4.793 1.00 0.00 C ATOM 392 O GLU A 28 0.706 -17.224 4.185 1.00 0.00 O ATOM 393 CB GLU A 28 1.412 -18.821 6.751 1.00 0.00 C ATOM 394 CG GLU A 28 1.916 -19.192 8.135 1.00 0.00 C ATOM 395 CD GLU A 28 2.044 -20.691 8.328 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.999 -21.373 8.374 1.00 0.00 O ATOM 397 OE2 GLU A 28 3.187 -21.181 8.432 1.00 0.00 O ATOM 0 H GLU A 28 0.104 -16.175 6.339 1.00 0.00 H new ATOM 0 HA GLU A 28 2.814 -17.195 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.326 -18.912 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.804 -19.536 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.886 -18.724 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.235 -18.790 8.885 1.00 0.00 H new ATOM 404 N PHE A 29 2.954 -17.312 4.184 1.00 0.00 N ATOM 405 CA PHE A 29 3.067 -17.219 2.733 1.00 0.00 C ATOM 406 C PHE A 29 2.502 -18.469 2.063 1.00 0.00 C ATOM 407 O PHE A 29 2.149 -19.440 2.733 1.00 0.00 O ATOM 408 CB PHE A 29 4.528 -17.025 2.325 1.00 0.00 C ATOM 409 CG PHE A 29 5.117 -15.728 2.803 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.667 -14.520 2.296 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.120 -15.718 3.759 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.206 -13.324 2.734 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.662 -14.526 4.201 1.00 0.00 C ATOM 414 CZ PHE A 29 6.206 -13.328 3.687 1.00 0.00 C ATOM 0 H PHE A 29 3.847 -17.380 4.673 1.00 0.00 H new ATOM 0 HA PHE A 29 2.488 -16.357 2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.120 -17.851 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.603 -17.070 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.886 -14.512 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.482 -16.652 4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.846 -12.389 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.442 -14.531 4.948 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.631 -12.396 4.030 1.00 0.00 H new ATOM 424 N SER A 30 2.419 -18.435 0.737 1.00 0.00 N ATOM 425 CA SER A 30 1.893 -19.562 -0.024 1.00 0.00 C ATOM 426 C SER A 30 2.871 -19.983 -1.117 1.00 0.00 C ATOM 427 O SER A 30 3.818 -19.262 -1.427 1.00 0.00 O ATOM 428 CB SER A 30 0.542 -19.200 -0.645 1.00 0.00 C ATOM 429 OG SER A 30 -0.020 -20.308 -1.326 1.00 0.00 O ATOM 0 H SER A 30 2.709 -17.640 0.168 1.00 0.00 H new ATOM 0 HA SER A 30 1.757 -20.399 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.142 -18.864 0.135 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.668 -18.369 -1.339 1.00 0.00 H new ATOM 0 HG SER A 30 -0.883 -20.051 -1.712 1.00 0.00 H new ATOM 435 N GLU A 31 2.633 -21.156 -1.696 1.00 0.00 N ATOM 436 CA GLU A 31 3.493 -21.674 -2.753 1.00 0.00 C ATOM 437 C GLU A 31 3.755 -20.608 -3.812 1.00 0.00 C ATOM 438 O GLU A 31 4.778 -20.637 -4.498 1.00 0.00 O ATOM 439 CB GLU A 31 2.858 -22.907 -3.400 1.00 0.00 C ATOM 440 CG GLU A 31 1.566 -22.607 -4.142 1.00 0.00 C ATOM 441 CD GLU A 31 1.064 -23.793 -4.942 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.692 -24.124 -5.969 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.042 -24.389 -4.542 1.00 0.00 O ATOM 0 H GLU A 31 1.852 -21.765 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 31 4.445 -21.958 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.571 -23.351 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.660 -23.651 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.801 -22.307 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.724 -21.762 -4.812 1.00 0.00 H new ATOM 450 N ILE A 32 2.824 -19.668 -3.940 1.00 0.00 N ATOM 451 CA ILE A 32 2.954 -18.593 -4.915 1.00 0.00 C ATOM 452 C ILE A 32 3.970 -17.553 -4.455 1.00 0.00 C ATOM 453 O ILE A 32 4.982 -17.325 -5.117 1.00 0.00 O ATOM 454 CB ILE A 32 1.604 -17.897 -5.170 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.572 -18.907 -5.674 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.773 -16.761 -6.167 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.199 -19.589 -4.566 1.00 0.00 C ATOM 0 H ILE A 32 1.972 -19.630 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 32 3.299 -19.049 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 32 1.245 -17.478 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.130 -18.398 -6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.079 -19.664 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.810 -16.279 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.479 -16.031 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.151 -17.157 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.912 -20.291 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.493 -20.127 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.735 -18.841 -3.982 1.00 0.00 H new ATOM 469 N GLN A 33 3.694 -16.928 -3.315 1.00 0.00 N ATOM 470 CA GLN A 33 4.585 -15.913 -2.765 1.00 0.00 C ATOM 471 C GLN A 33 6.016 -16.434 -2.678 1.00 0.00 C ATOM 472 O GLN A 33 6.951 -15.792 -3.157 1.00 0.00 O ATOM 473 CB GLN A 33 4.103 -15.477 -1.380 1.00 0.00 C ATOM 474 CG GLN A 33 2.891 -14.561 -1.418 1.00 0.00 C ATOM 475 CD GLN A 33 2.009 -14.708 -0.194 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.853 -15.805 0.344 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.427 -13.602 0.253 1.00 0.00 N ATOM 0 H GLN A 33 2.861 -17.107 -2.754 1.00 0.00 H new ATOM 0 HA GLN A 33 4.571 -15.053 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.860 -16.363 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.917 -14.967 -0.865 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.225 -13.526 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.305 -14.777 -2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.584 -12.714 -0.224 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.822 -13.640 1.074 1.00 0.00 H new ATOM 486 N LEU A 34 6.178 -17.601 -2.064 1.00 0.00 N ATOM 487 CA LEU A 34 7.496 -18.209 -1.914 1.00 0.00 C ATOM 488 C LEU A 34 8.193 -18.339 -3.264 1.00 0.00 C ATOM 489 O LEU A 34 9.199 -17.679 -3.521 1.00 0.00 O ATOM 490 CB LEU A 34 7.372 -19.585 -1.256 1.00 0.00 C ATOM 491 CG LEU A 34 6.538 -19.644 0.024 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.881 -21.008 0.170 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.400 -19.332 1.238 1.00 0.00 C ATOM 0 H LEU A 34 5.414 -18.145 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 34 8.098 -17.561 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.938 -20.274 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.374 -19.949 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 34 5.753 -18.890 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.292 -21.032 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.230 -21.192 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.650 -21.779 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.789 -19.379 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.207 -20.061 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.822 -18.332 1.137 1.00 0.00 H new ATOM 505 N SER A 35 7.649 -19.194 -4.125 1.00 0.00 N ATOM 506 CA SER A 35 8.220 -19.411 -5.449 1.00 0.00 C ATOM 507 C SER A 35 8.755 -18.107 -6.032 1.00 0.00 C ATOM 508 O SER A 35 9.736 -18.103 -6.775 1.00 0.00 O ATOM 509 CB SER A 35 7.170 -20.009 -6.388 1.00 0.00 C ATOM 510 OG SER A 35 7.781 -20.665 -7.485 1.00 0.00 O ATOM 0 H SER A 35 6.815 -19.747 -3.929 1.00 0.00 H new ATOM 0 HA SER A 35 9.050 -20.111 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.547 -20.715 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.512 -19.220 -6.753 1.00 0.00 H new ATOM 0 HG SER A 35 7.089 -21.040 -8.069 1.00 0.00 H new ATOM 516 N ARG A 36 8.103 -17.001 -5.688 1.00 0.00 N ATOM 517 CA ARG A 36 8.511 -15.690 -6.177 1.00 0.00 C ATOM 518 C ARG A 36 9.679 -15.145 -5.360 1.00 0.00 C ATOM 519 O ARG A 36 10.650 -14.628 -5.914 1.00 0.00 O ATOM 520 CB ARG A 36 7.336 -14.712 -6.121 1.00 0.00 C ATOM 521 CG ARG A 36 6.199 -15.073 -7.064 1.00 0.00 C ATOM 522 CD ARG A 36 4.969 -14.216 -6.806 1.00 0.00 C ATOM 523 NE ARG A 36 4.177 -14.018 -8.017 1.00 0.00 N ATOM 524 CZ ARG A 36 4.482 -13.134 -8.959 1.00 0.00 C ATOM 525 NH1 ARG A 36 5.558 -12.369 -8.832 1.00 0.00 N ATOM 526 NH2 ARG A 36 3.711 -13.013 -10.033 1.00 0.00 N ATOM 0 H ARG A 36 7.290 -16.987 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 36 8.833 -15.801 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.953 -14.675 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.695 -13.712 -6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.525 -14.942 -8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.943 -16.125 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.352 -14.689 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.278 -13.248 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 36 3.343 -14.591 -8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.154 -12.459 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.790 -11.691 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.883 -13.600 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.947 -12.333 -10.756 1.00 0.00 H new ATOM 540 N LEU A 37 9.578 -15.263 -4.041 1.00 0.00 N ATOM 541 CA LEU A 37 10.625 -14.782 -3.147 1.00 0.00 C ATOM 542 C LEU A 37 11.950 -15.479 -3.436 1.00 0.00 C ATOM 543 O LEU A 37 13.014 -14.861 -3.384 1.00 0.00 O ATOM 544 CB LEU A 37 10.223 -15.010 -1.689 1.00 0.00 C ATOM 545 CG LEU A 37 9.009 -14.222 -1.196 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.366 -14.919 -0.007 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.409 -12.800 -0.830 1.00 0.00 C ATOM 0 H LEU A 37 8.781 -15.688 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 37 10.753 -13.713 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.022 -16.072 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.074 -14.761 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 37 8.278 -14.177 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.504 -14.343 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.043 -15.917 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.090 -14.997 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.533 -12.254 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.159 -12.825 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.822 -12.301 -1.707 1.00 0.00 H new ATOM 559 N LYS A 38 11.879 -16.770 -3.742 1.00 0.00 N ATOM 560 CA LYS A 38 13.072 -17.552 -4.043 1.00 0.00 C ATOM 561 C LYS A 38 13.972 -16.815 -5.030 1.00 0.00 C ATOM 562 O LYS A 38 15.184 -16.727 -4.835 1.00 0.00 O ATOM 563 CB LYS A 38 12.682 -18.917 -4.615 1.00 0.00 C ATOM 564 CG LYS A 38 12.142 -19.881 -3.573 1.00 0.00 C ATOM 565 CD LYS A 38 11.565 -21.132 -4.215 1.00 0.00 C ATOM 566 CE LYS A 38 12.662 -22.094 -4.645 1.00 0.00 C ATOM 567 NZ LYS A 38 12.169 -23.497 -4.725 1.00 0.00 N ATOM 0 H LYS A 38 11.007 -17.297 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 38 13.623 -17.698 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.930 -18.775 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.553 -19.363 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.941 -20.159 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.371 -19.386 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.899 -21.630 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.964 -20.854 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.051 -21.790 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.490 -22.040 -3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.946 -24.122 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.821 -23.796 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.396 -23.554 -5.418 1.00 0.00 H new ATOM 581 N LYS A 39 13.370 -16.285 -6.089 1.00 0.00 N ATOM 582 CA LYS A 39 14.116 -15.552 -7.106 1.00 0.00 C ATOM 583 C LYS A 39 14.958 -14.449 -6.473 1.00 0.00 C ATOM 584 O LYS A 39 16.157 -14.343 -6.734 1.00 0.00 O ATOM 585 CB LYS A 39 13.157 -14.949 -8.135 1.00 0.00 C ATOM 586 CG LYS A 39 12.810 -15.896 -9.271 1.00 0.00 C ATOM 587 CD LYS A 39 11.642 -16.798 -8.907 1.00 0.00 C ATOM 588 CE LYS A 39 11.585 -18.024 -9.805 1.00 0.00 C ATOM 589 NZ LYS A 39 11.231 -17.669 -11.207 1.00 0.00 N ATOM 0 H LYS A 39 12.367 -16.349 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 39 14.784 -16.253 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.239 -14.648 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.604 -14.045 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.562 -15.321 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.679 -16.506 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.733 -17.111 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.710 -16.240 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.551 -18.529 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.851 -18.728 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.202 -18.532 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.298 -17.210 -11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.945 -17.017 -11.591 1.00 0.00 H new ATOM 603 N LEU A 40 14.325 -13.631 -5.640 1.00 0.00 N ATOM 604 CA LEU A 40 15.017 -12.537 -4.968 1.00 0.00 C ATOM 605 C LEU A 40 16.155 -13.064 -4.099 1.00 0.00 C ATOM 606 O LEU A 40 17.153 -12.378 -3.883 1.00 0.00 O ATOM 607 CB LEU A 40 14.035 -11.735 -4.111 1.00 0.00 C ATOM 608 CG LEU A 40 12.769 -11.249 -4.819 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.709 -10.854 -3.803 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.089 -10.082 -5.741 1.00 0.00 C ATOM 0 H LEU A 40 13.333 -13.705 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 40 15.440 -11.884 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.739 -12.350 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.559 -10.867 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 40 12.376 -12.066 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.815 -10.511 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.459 -11.716 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.091 -10.052 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.177 -9.749 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.505 -9.261 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.814 -10.399 -6.491 1.00 0.00 H new ATOM 622 N GLY A 41 15.997 -14.288 -3.604 1.00 0.00 N ATOM 623 CA GLY A 41 17.019 -14.887 -2.766 1.00 0.00 C ATOM 624 C GLY A 41 16.710 -14.751 -1.288 1.00 0.00 C ATOM 625 O GLY A 41 17.612 -14.807 -0.452 1.00 0.00 O ATOM 0 H GLY A 41 15.179 -14.875 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.118 -15.943 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.980 -14.417 -2.978 1.00 0.00 H new ATOM 629 N ILE A 42 15.434 -14.570 -0.966 1.00 0.00 N ATOM 630 CA ILE A 42 15.010 -14.425 0.421 1.00 0.00 C ATOM 631 C ILE A 42 14.532 -15.756 0.992 1.00 0.00 C ATOM 632 O ILE A 42 13.415 -16.196 0.718 1.00 0.00 O ATOM 633 CB ILE A 42 13.882 -13.386 0.559 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.404 -11.987 0.222 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.303 -13.416 1.965 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.330 -11.047 -0.279 1.00 0.00 C ATOM 0 H ILE A 42 14.676 -14.520 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 42 15.879 -14.083 0.982 1.00 0.00 H new ATOM 0 HB ILE A 42 13.089 -13.637 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.867 -11.557 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.184 -12.071 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.507 -12.676 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.899 -14.407 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.087 -13.186 2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.771 -10.075 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.883 -11.455 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.561 -10.933 0.485 1.00 0.00 H new ATOM 648 N HIS A 43 15.385 -16.393 1.788 1.00 0.00 N ATOM 649 CA HIS A 43 15.049 -17.673 2.400 1.00 0.00 C ATOM 650 C HIS A 43 14.306 -17.467 3.717 1.00 0.00 C ATOM 651 O HIS A 43 14.674 -18.036 4.745 1.00 0.00 O ATOM 652 CB HIS A 43 16.316 -18.496 2.640 1.00 0.00 C ATOM 653 CG HIS A 43 16.840 -19.160 1.404 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.027 -19.785 0.482 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.105 -19.294 0.940 1.00 0.00 C ATOM 656 CE1 HIS A 43 16.768 -20.275 -0.495 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.033 -19.991 -0.242 1.00 0.00 N ATOM 0 H HIS A 43 16.314 -16.044 2.024 1.00 0.00 H new ATOM 0 HA HIS A 43 14.397 -18.215 1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.090 -17.846 3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.108 -19.257 3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.003 -18.922 1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.402 -20.816 -1.355 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.827 -20.247 -0.829 1.00 0.00 H new ATOM 666 N LYS A 44 13.259 -16.650 3.678 1.00 0.00 N ATOM 667 CA LYS A 44 12.463 -16.369 4.867 1.00 0.00 C ATOM 668 C LYS A 44 11.037 -16.885 4.702 1.00 0.00 C ATOM 669 O LYS A 44 10.242 -16.315 3.954 1.00 0.00 O ATOM 670 CB LYS A 44 12.443 -14.865 5.148 1.00 0.00 C ATOM 671 CG LYS A 44 13.677 -14.367 5.880 1.00 0.00 C ATOM 672 CD LYS A 44 13.952 -12.904 5.577 1.00 0.00 C ATOM 673 CE LYS A 44 15.300 -12.464 6.129 1.00 0.00 C ATOM 674 NZ LYS A 44 15.279 -12.345 7.613 1.00 0.00 N ATOM 0 H LYS A 44 12.942 -16.171 2.835 1.00 0.00 H new ATOM 0 HA LYS A 44 12.921 -16.884 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.350 -14.329 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.559 -14.626 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.542 -14.498 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.540 -14.968 5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.929 -12.744 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.163 -12.288 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.065 -13.181 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.576 -11.505 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.175 -11.931 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.489 -11.733 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.158 -13.288 8.035 1.00 0.00 H new ATOM 688 N THR A 45 10.718 -17.967 5.405 1.00 0.00 N ATOM 689 CA THR A 45 9.388 -18.559 5.337 1.00 0.00 C ATOM 690 C THR A 45 8.462 -17.952 6.384 1.00 0.00 C ATOM 691 O THR A 45 7.614 -18.642 6.951 1.00 0.00 O ATOM 692 CB THR A 45 9.442 -20.086 5.538 1.00 0.00 C ATOM 693 OG1 THR A 45 10.411 -20.662 4.655 1.00 0.00 O ATOM 694 CG2 THR A 45 8.080 -20.713 5.284 1.00 0.00 C ATOM 0 H THR A 45 11.363 -18.452 6.029 1.00 0.00 H new ATOM 0 HA THR A 45 8.997 -18.345 4.342 1.00 0.00 H new ATOM 0 HB THR A 45 9.729 -20.285 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.441 -21.632 4.790 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.142 -21.791 5.432 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.351 -20.293 5.977 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.769 -20.505 4.260 1.00 0.00 H new ATOM 702 N ASP A 46 8.627 -16.659 6.635 1.00 0.00 N ATOM 703 CA ASP A 46 7.803 -15.958 7.613 1.00 0.00 C ATOM 704 C ASP A 46 7.733 -14.467 7.296 1.00 0.00 C ATOM 705 O ASP A 46 8.714 -13.848 6.885 1.00 0.00 O ATOM 706 CB ASP A 46 8.360 -16.166 9.022 1.00 0.00 C ATOM 707 CG ASP A 46 7.276 -16.135 10.083 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.483 -17.097 10.150 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.222 -15.148 10.846 1.00 0.00 O ATOM 0 H ASP A 46 9.324 -16.074 6.175 1.00 0.00 H new ATOM 0 HA ASP A 46 6.795 -16.369 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.881 -17.123 9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.097 -15.392 9.236 1.00 0.00 H new ATOM 714 N PRO A 47 6.544 -13.877 7.490 1.00 0.00 N ATOM 715 CA PRO A 47 6.317 -12.452 7.230 1.00 0.00 C ATOM 716 C PRO A 47 7.035 -11.558 8.235 1.00 0.00 C ATOM 717 O PRO A 47 7.382 -10.417 7.928 1.00 0.00 O ATOM 718 CB PRO A 47 4.800 -12.304 7.372 1.00 0.00 C ATOM 719 CG PRO A 47 4.393 -13.417 8.274 1.00 0.00 C ATOM 720 CD PRO A 47 5.331 -14.554 7.978 1.00 0.00 C ATOM 0 HA PRO A 47 6.700 -12.149 6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.535 -11.335 7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.303 -12.377 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.461 -13.117 9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.358 -13.708 8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.534 -15.150 8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.919 -15.230 7.229 1.00 0.00 H new ATOM 728 N SER A 48 7.257 -12.083 9.435 1.00 0.00 N ATOM 729 CA SER A 48 7.931 -11.330 10.486 1.00 0.00 C ATOM 730 C SER A 48 9.397 -11.097 10.132 1.00 0.00 C ATOM 731 O SER A 48 9.895 -9.973 10.204 1.00 0.00 O ATOM 732 CB SER A 48 7.829 -12.072 11.820 1.00 0.00 C ATOM 733 OG SER A 48 6.476 -12.281 12.185 1.00 0.00 O ATOM 0 H SER A 48 6.980 -13.027 9.704 1.00 0.00 H new ATOM 0 HA SER A 48 7.439 -10.362 10.578 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.341 -13.031 11.746 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.335 -11.500 12.598 1.00 0.00 H new ATOM 0 HG SER A 48 6.438 -12.758 13.040 1.00 0.00 H new ATOM 739 N THR A 49 10.084 -12.169 9.749 1.00 0.00 N ATOM 740 CA THR A 49 11.493 -12.084 9.385 1.00 0.00 C ATOM 741 C THR A 49 11.718 -11.033 8.304 1.00 0.00 C ATOM 742 O THR A 49 12.548 -10.136 8.459 1.00 0.00 O ATOM 743 CB THR A 49 12.028 -13.440 8.887 1.00 0.00 C ATOM 744 OG1 THR A 49 11.174 -13.955 7.859 1.00 0.00 O ATOM 745 CG2 THR A 49 12.114 -14.440 10.029 1.00 0.00 C ATOM 0 H THR A 49 9.687 -13.106 9.683 1.00 0.00 H new ATOM 0 HA THR A 49 12.036 -11.797 10.286 1.00 0.00 H new ATOM 0 HB THR A 49 13.029 -13.285 8.484 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.272 -13.587 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.494 -15.390 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.787 -14.058 10.797 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.123 -14.590 10.457 1.00 0.00 H new ATOM 753 N LEU A 50 10.975 -11.149 7.209 1.00 0.00 N ATOM 754 CA LEU A 50 11.094 -10.207 6.101 1.00 0.00 C ATOM 755 C LEU A 50 11.181 -8.773 6.612 1.00 0.00 C ATOM 756 O LEU A 50 10.321 -8.317 7.366 1.00 0.00 O ATOM 757 CB LEU A 50 9.901 -10.352 5.154 1.00 0.00 C ATOM 758 CG LEU A 50 10.068 -11.355 4.012 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.593 -12.735 4.440 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.312 -10.888 2.777 1.00 0.00 C ATOM 0 H LEU A 50 10.284 -11.885 7.064 1.00 0.00 H new ATOM 0 HA LEU A 50 12.011 -10.435 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.030 -10.642 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.684 -9.375 4.723 1.00 0.00 H new ATOM 0 HG LEU A 50 11.127 -11.419 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.719 -13.436 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.179 -13.072 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.540 -12.687 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.442 -11.614 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.252 -10.794 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.699 -9.921 2.457 1.00 0.00 H new ATOM 772 N THR A 51 12.226 -8.064 6.195 1.00 0.00 N ATOM 773 CA THR A 51 12.426 -6.681 6.609 1.00 0.00 C ATOM 774 C THR A 51 11.949 -5.711 5.534 1.00 0.00 C ATOM 775 O THR A 51 11.773 -6.091 4.377 1.00 0.00 O ATOM 776 CB THR A 51 13.907 -6.397 6.922 1.00 0.00 C ATOM 777 OG1 THR A 51 14.668 -6.372 5.709 1.00 0.00 O ATOM 778 CG2 THR A 51 14.474 -7.451 7.861 1.00 0.00 C ATOM 0 H THR A 51 12.947 -8.426 5.571 1.00 0.00 H new ATOM 0 HA THR A 51 11.837 -6.533 7.514 1.00 0.00 H new ATOM 0 HB THR A 51 13.972 -5.425 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.608 -6.190 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.521 -7.229 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.911 -7.447 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.396 -8.433 7.395 1.00 0.00 H new ATOM 786 N GLU A 52 11.744 -4.457 5.924 1.00 0.00 N ATOM 787 CA GLU A 52 11.288 -3.433 4.992 1.00 0.00 C ATOM 788 C GLU A 52 11.871 -3.664 3.601 1.00 0.00 C ATOM 789 O GLU A 52 11.159 -3.599 2.600 1.00 0.00 O ATOM 790 CB GLU A 52 11.679 -2.042 5.497 1.00 0.00 C ATOM 791 CG GLU A 52 10.785 -1.525 6.612 1.00 0.00 C ATOM 792 CD GLU A 52 10.698 -0.012 6.636 1.00 0.00 C ATOM 793 OE1 GLU A 52 10.187 0.568 5.655 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.141 0.593 7.634 1.00 0.00 O ATOM 0 H GLU A 52 11.886 -4.126 6.878 1.00 0.00 H new ATOM 0 HA GLU A 52 10.202 -3.496 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.709 -2.070 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.648 -1.340 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.785 -1.941 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.165 -1.879 7.571 1.00 0.00 H new ATOM 801 N GLU A 53 13.172 -3.934 3.549 1.00 0.00 N ATOM 802 CA GLU A 53 13.852 -4.174 2.282 1.00 0.00 C ATOM 803 C GLU A 53 13.209 -5.337 1.531 1.00 0.00 C ATOM 804 O GLU A 53 12.849 -5.210 0.361 1.00 0.00 O ATOM 805 CB GLU A 53 15.335 -4.463 2.519 1.00 0.00 C ATOM 806 CG GLU A 53 16.162 -4.493 1.245 1.00 0.00 C ATOM 807 CD GLU A 53 17.652 -4.432 1.515 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.107 -5.069 2.488 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.365 -3.746 0.752 1.00 0.00 O ATOM 0 H GLU A 53 13.775 -3.992 4.369 1.00 0.00 H new ATOM 0 HA GLU A 53 13.758 -3.275 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.742 -3.705 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.433 -5.422 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.934 -5.403 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.877 -3.653 0.611 1.00 0.00 H new ATOM 816 N GLU A 54 13.070 -6.469 2.213 1.00 0.00 N ATOM 817 CA GLU A 54 12.472 -7.655 1.610 1.00 0.00 C ATOM 818 C GLU A 54 11.009 -7.407 1.257 1.00 0.00 C ATOM 819 O GLU A 54 10.512 -7.896 0.243 1.00 0.00 O ATOM 820 CB GLU A 54 12.584 -8.849 2.561 1.00 0.00 C ATOM 821 CG GLU A 54 13.989 -9.418 2.662 1.00 0.00 C ATOM 822 CD GLU A 54 14.844 -8.685 3.678 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.388 -7.615 3.333 1.00 0.00 O ATOM 824 OE2 GLU A 54 14.969 -9.182 4.817 1.00 0.00 O ATOM 0 H GLU A 54 13.363 -6.590 3.182 1.00 0.00 H new ATOM 0 HA GLU A 54 13.016 -7.878 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.252 -8.544 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.906 -9.634 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.931 -10.472 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.469 -9.367 1.685 1.00 0.00 H new ATOM 831 N VAL A 55 10.323 -6.643 2.102 1.00 0.00 N ATOM 832 CA VAL A 55 8.917 -6.329 1.880 1.00 0.00 C ATOM 833 C VAL A 55 8.731 -5.508 0.609 1.00 0.00 C ATOM 834 O VAL A 55 8.010 -5.912 -0.303 1.00 0.00 O ATOM 835 CB VAL A 55 8.321 -5.553 3.070 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.893 -5.125 2.767 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.376 -6.396 4.336 1.00 0.00 C ATOM 0 H VAL A 55 10.719 -6.230 2.947 1.00 0.00 H new ATOM 0 HA VAL A 55 8.393 -7.279 1.775 1.00 0.00 H new ATOM 0 HB VAL A 55 8.918 -4.655 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.489 -4.578 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.885 -4.483 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.281 -6.007 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.951 -5.833 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.804 -7.312 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.412 -6.648 4.561 1.00 0.00 H new ATOM 847 N ARG A 56 9.388 -4.354 0.555 1.00 0.00 N ATOM 848 CA ARG A 56 9.295 -3.476 -0.605 1.00 0.00 C ATOM 849 C ARG A 56 9.758 -4.194 -1.869 1.00 0.00 C ATOM 850 O ARG A 56 9.140 -4.071 -2.927 1.00 0.00 O ATOM 851 CB ARG A 56 10.134 -2.215 -0.385 1.00 0.00 C ATOM 852 CG ARG A 56 11.626 -2.486 -0.285 1.00 0.00 C ATOM 853 CD ARG A 56 12.392 -1.241 0.132 1.00 0.00 C ATOM 854 NE ARG A 56 12.633 -0.343 -0.995 1.00 0.00 N ATOM 855 CZ ARG A 56 11.753 0.558 -1.417 1.00 0.00 C ATOM 856 NH1 ARG A 56 10.582 0.683 -0.809 1.00 0.00 N ATOM 857 NH2 ARG A 56 12.046 1.339 -2.450 1.00 0.00 N ATOM 0 H ARG A 56 9.990 -4.005 1.301 1.00 0.00 H new ATOM 0 HA ARG A 56 8.250 -3.192 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.954 -1.521 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.801 -1.722 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.804 -3.283 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.998 -2.838 -1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.832 -0.712 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.345 -1.533 0.573 1.00 0.00 H new ATOM 0 HE ARG A 56 13.525 -0.412 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.354 0.086 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.909 1.376 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.947 1.247 -2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.370 2.031 -2.774 1.00 0.00 H new ATOM 871 N LYS A 57 10.849 -4.943 -1.752 1.00 0.00 N ATOM 872 CA LYS A 57 11.395 -5.682 -2.884 1.00 0.00 C ATOM 873 C LYS A 57 10.368 -6.661 -3.442 1.00 0.00 C ATOM 874 O LYS A 57 10.267 -6.846 -4.655 1.00 0.00 O ATOM 875 CB LYS A 57 12.659 -6.436 -2.465 1.00 0.00 C ATOM 876 CG LYS A 57 13.921 -5.594 -2.534 1.00 0.00 C ATOM 877 CD LYS A 57 15.165 -6.461 -2.646 1.00 0.00 C ATOM 878 CE LYS A 57 15.374 -7.300 -1.395 1.00 0.00 C ATOM 879 NZ LYS A 57 16.796 -7.708 -1.232 1.00 0.00 N ATOM 0 H LYS A 57 11.373 -5.054 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 57 11.649 -4.965 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.532 -6.803 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.780 -7.310 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.866 -4.923 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.991 -4.969 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.077 -7.115 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.037 -5.828 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.056 -6.733 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.745 -8.189 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.897 -8.278 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.092 -8.271 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.394 -6.860 -1.159 1.00 0.00 H new ATOM 893 N PHE A 58 9.606 -7.285 -2.549 1.00 0.00 N ATOM 894 CA PHE A 58 8.585 -8.244 -2.953 1.00 0.00 C ATOM 895 C PHE A 58 7.401 -7.537 -3.606 1.00 0.00 C ATOM 896 O PHE A 58 6.927 -7.946 -4.665 1.00 0.00 O ATOM 897 CB PHE A 58 8.108 -9.052 -1.744 1.00 0.00 C ATOM 898 CG PHE A 58 6.918 -9.921 -2.036 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.017 -10.978 -2.926 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.700 -9.681 -1.420 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.925 -11.780 -3.196 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.604 -10.480 -1.686 1.00 0.00 C ATOM 903 CZ PHE A 58 4.716 -11.530 -2.576 1.00 0.00 C ATOM 0 H PHE A 58 9.677 -7.143 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 58 9.027 -8.922 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.927 -9.678 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.857 -8.366 -0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.959 -11.177 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.606 -8.860 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.016 -12.602 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.661 -10.283 -1.198 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.860 -12.154 -2.787 1.00 0.00 H new ATOM 913 N ALA A 59 6.928 -6.474 -2.964 1.00 0.00 N ATOM 914 CA ALA A 59 5.801 -5.708 -3.482 1.00 0.00 C ATOM 915 C ALA A 59 6.029 -5.311 -4.937 1.00 0.00 C ATOM 916 O ALA A 59 5.088 -5.251 -5.729 1.00 0.00 O ATOM 917 CB ALA A 59 5.564 -4.473 -2.627 1.00 0.00 C ATOM 0 H ALA A 59 7.308 -6.124 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 59 4.914 -6.341 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.720 -3.911 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.347 -4.776 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.455 -3.846 -2.639 1.00 0.00 H new ATOM 923 N ARG A 60 7.283 -5.040 -5.282 1.00 0.00 N ATOM 924 CA ARG A 60 7.634 -4.646 -6.641 1.00 0.00 C ATOM 925 C ARG A 60 7.237 -5.729 -7.640 1.00 0.00 C ATOM 926 O ARG A 60 6.702 -5.436 -8.710 1.00 0.00 O ATOM 927 CB ARG A 60 9.135 -4.368 -6.743 1.00 0.00 C ATOM 928 CG ARG A 60 9.573 -3.110 -6.011 1.00 0.00 C ATOM 929 CD ARG A 60 11.088 -3.014 -5.926 1.00 0.00 C ATOM 930 NE ARG A 60 11.694 -2.766 -7.232 1.00 0.00 N ATOM 931 CZ ARG A 60 11.593 -1.613 -7.883 1.00 0.00 C ATOM 932 NH1 ARG A 60 10.912 -0.606 -7.352 1.00 0.00 N ATOM 933 NH2 ARG A 60 12.173 -1.465 -9.067 1.00 0.00 N ATOM 0 H ARG A 60 8.073 -5.086 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 60 7.086 -3.735 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.682 -5.221 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.409 -4.280 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.180 -2.233 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.150 -3.106 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.363 -2.212 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.487 -3.939 -5.511 1.00 0.00 H new ATOM 0 HE ARG A 60 12.224 -3.520 -7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.465 -0.716 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.836 0.279 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.697 -2.237 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.095 -0.579 -9.566 1.00 0.00 H new ATOM 947 N LEU A 61 7.504 -6.981 -7.285 1.00 0.00 N ATOM 948 CA LEU A 61 7.176 -8.109 -8.150 1.00 0.00 C ATOM 949 C LEU A 61 5.699 -8.090 -8.531 1.00 0.00 C ATOM 950 O LEU A 61 5.283 -8.762 -9.474 1.00 0.00 O ATOM 951 CB LEU A 61 7.518 -9.427 -7.454 1.00 0.00 C ATOM 952 CG LEU A 61 9.008 -9.737 -7.299 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.215 -10.881 -6.318 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.627 -10.070 -8.648 1.00 0.00 C ATOM 0 H LEU A 61 7.947 -7.241 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 61 7.769 -8.022 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.064 -9.420 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.054 -10.240 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 61 9.505 -8.851 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.281 -11.088 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.808 -10.604 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.705 -11.772 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.687 -10.288 -8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.127 -10.941 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.511 -9.221 -9.321 1.00 0.00 H new