USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 100:sc= 0.136 USER MOD Set 1.2: A 73 HIS :FLIP no HD1:sc= -0.07 F(o=-0.76,f=0.066) USER MOD Set 2.1: A 33 THR OG1 : rot -160:sc= 0.199 USER MOD Set 2.2: A 37 LYS NZ :NH3+ 177:sc= 0.878 (180deg=0.161) USER MOD Single : A 14 HIS : no HD1:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.297 K(o=0.3,f=-0.95) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.191 F(o=-0.78,f=-0.19) USER MOD Single : A 26 MET CE :methyl -124:sc= 0 (180deg=-0.595) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0187) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.5!) USER MOD Single : A 39 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 134:sc= -0.854 (180deg=-2.54!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -150:sc= -0.329 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.460 5.943 -4.081 1.00 0.00 N ATOM 98 CA VAL A 10 -1.329 5.342 -3.076 1.00 0.00 C ATOM 99 C VAL A 10 -1.998 4.081 -3.612 1.00 0.00 C ATOM 100 O VAL A 10 -2.812 4.141 -4.534 1.00 0.00 O ATOM 101 CB VAL A 10 -2.416 6.329 -2.610 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.190 6.872 -3.802 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.352 5.659 -1.616 1.00 0.00 C ATOM 0 HA VAL A 10 -0.698 5.082 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.932 7.167 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.954 7.568 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.506 7.391 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.665 6.047 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.114 6.370 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.831 4.802 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.783 5.324 -0.749 1.00 0.00 H new ATOM 113 N LEU A 11 -1.650 2.940 -3.028 1.00 0.00 N ATOM 114 CA LEU A 11 -2.218 1.662 -3.446 1.00 0.00 C ATOM 115 C LEU A 11 -3.329 1.224 -2.497 1.00 0.00 C ATOM 116 O LEU A 11 -3.119 1.112 -1.289 1.00 0.00 O ATOM 117 CB LEU A 11 -1.127 0.591 -3.502 1.00 0.00 C ATOM 118 CG LEU A 11 -1.609 -0.859 -3.472 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.163 -1.266 -4.829 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.478 -1.789 -3.056 1.00 0.00 C ATOM 0 H LEU A 11 -0.978 2.873 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.645 1.789 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.545 0.741 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.450 0.746 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.409 -0.940 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.501 -2.301 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.002 -0.620 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.383 -1.169 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.840 -2.817 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.343 -1.704 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.127 -1.513 -2.062 1.00 0.00 H new ATOM 132 N ASP A 12 -4.510 0.975 -3.052 1.00 0.00 N ATOM 133 CA ASP A 12 -5.653 0.545 -2.256 1.00 0.00 C ATOM 134 C ASP A 12 -5.714 -0.977 -2.169 1.00 0.00 C ATOM 135 O ASP A 12 -5.754 -1.666 -3.189 1.00 0.00 O ATOM 136 CB ASP A 12 -6.952 1.086 -2.857 1.00 0.00 C ATOM 137 CG ASP A 12 -7.470 0.222 -3.990 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.001 -0.872 -3.706 1.00 0.00 O ATOM 139 OD2 ASP A 12 -7.344 0.639 -5.160 1.00 0.00 O ATOM 0 H ASP A 12 -4.701 1.064 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.533 0.944 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.711 1.150 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.785 2.099 -3.223 1.00 0.00 H new ATOM 144 N LEU A 13 -5.718 -1.494 -0.946 1.00 0.00 N ATOM 145 CA LEU A 13 -5.772 -2.935 -0.725 1.00 0.00 C ATOM 146 C LEU A 13 -7.163 -3.364 -0.269 1.00 0.00 C ATOM 147 O LEU A 13 -7.464 -4.556 -0.196 1.00 0.00 O ATOM 148 CB LEU A 13 -4.731 -3.351 0.315 1.00 0.00 C ATOM 149 CG LEU A 13 -3.273 -3.059 -0.041 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.354 -3.460 1.102 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.881 -3.782 -1.321 1.00 0.00 C ATOM 0 H LEU A 13 -5.685 -0.937 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.550 -3.431 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.963 -2.847 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.833 -4.421 0.494 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.167 -1.987 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.321 -3.245 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.619 -2.897 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.463 -4.526 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.840 -3.562 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.003 -4.856 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.519 -3.446 -2.139 1.00 0.00 H new ATOM 163 N HIS A 14 -8.009 -2.385 0.035 1.00 0.00 N ATOM 164 CA HIS A 14 -9.370 -2.661 0.482 1.00 0.00 C ATOM 165 C HIS A 14 -10.141 -3.442 -0.578 1.00 0.00 C ATOM 166 O HIS A 14 -10.138 -3.081 -1.754 1.00 0.00 O ATOM 167 CB HIS A 14 -10.099 -1.356 0.802 1.00 0.00 C ATOM 168 CG HIS A 14 -11.591 -1.475 0.749 1.00 0.00 C ATOM 169 ND1 HIS A 14 -12.386 -0.637 -0.004 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.432 -2.342 1.359 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.652 -0.982 0.148 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.707 -2.015 0.970 1.00 0.00 N ATOM 0 H HIS A 14 -7.776 -1.393 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.314 -3.267 1.386 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.805 -1.019 1.796 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.779 -0.588 0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.152 -3.143 2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.498 -0.501 -0.320 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.558 -2.492 1.267 1.00 0.00 H new ATOM 180 N GLY A 15 -10.800 -4.516 -0.152 1.00 0.00 N ATOM 181 CA GLY A 15 -11.566 -5.331 -1.077 1.00 0.00 C ATOM 182 C GLY A 15 -10.853 -6.617 -1.443 1.00 0.00 C ATOM 183 O GLY A 15 -11.475 -7.676 -1.536 1.00 0.00 O ATOM 0 H GLY A 15 -10.817 -4.836 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.532 -5.569 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.764 -4.758 -1.983 1.00 0.00 H new ATOM 187 N LEU A 16 -9.544 -6.527 -1.653 1.00 0.00 N ATOM 188 CA LEU A 16 -8.745 -7.694 -2.013 1.00 0.00 C ATOM 189 C LEU A 16 -8.558 -8.617 -0.813 1.00 0.00 C ATOM 190 O LEU A 16 -8.878 -8.253 0.319 1.00 0.00 O ATOM 191 CB LEU A 16 -7.382 -7.256 -2.552 1.00 0.00 C ATOM 192 CG LEU A 16 -7.344 -6.838 -4.022 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.118 -5.982 -4.302 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.359 -8.063 -4.925 1.00 0.00 C ATOM 0 H LEU A 16 -9.014 -5.659 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.277 -8.243 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.026 -6.421 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.677 -8.075 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.233 -6.244 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.108 -5.694 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.150 -5.087 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.217 -6.551 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.332 -7.747 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.489 -8.683 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.267 -8.637 -4.744 1.00 0.00 H new ATOM 206 N HIS A 17 -8.036 -9.812 -1.069 1.00 0.00 N ATOM 207 CA HIS A 17 -7.804 -10.787 -0.009 1.00 0.00 C ATOM 208 C HIS A 17 -6.414 -10.612 0.595 1.00 0.00 C ATOM 209 O HIS A 17 -5.466 -10.245 -0.100 1.00 0.00 O ATOM 210 CB HIS A 17 -7.961 -12.208 -0.551 1.00 0.00 C ATOM 211 CG HIS A 17 -8.258 -13.224 0.509 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.450 -14.315 0.753 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.280 -13.309 1.392 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.964 -15.028 1.739 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.074 -14.439 2.145 1.00 0.00 N ATOM 0 H HIS A 17 -7.766 -10.129 -2.000 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.545 -10.620 0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.763 -12.220 -1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.046 -12.493 -1.070 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.590 -14.536 0.251 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.104 -12.617 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.547 -15.938 2.144 1.00 0.00 H new ATOM 223 N VAL A 18 -6.300 -10.875 1.893 1.00 0.00 N ATOM 224 CA VAL A 18 -5.027 -10.747 2.590 1.00 0.00 C ATOM 225 C VAL A 18 -3.866 -11.176 1.699 1.00 0.00 C ATOM 226 O VAL A 18 -3.031 -10.358 1.314 1.00 0.00 O ATOM 227 CB VAL A 18 -5.006 -11.587 3.881 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.587 -11.713 4.414 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.926 -10.976 4.928 1.00 0.00 C ATOM 0 H VAL A 18 -7.075 -11.178 2.483 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.913 -9.694 2.848 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.371 -12.588 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.593 -12.310 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.959 -12.198 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.191 -10.721 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.899 -11.582 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.593 -9.964 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.945 -10.944 4.543 1.00 0.00 H new ATOM 239 N ASP A 19 -3.821 -12.464 1.376 1.00 0.00 N ATOM 240 CA ASP A 19 -2.764 -13.002 0.528 1.00 0.00 C ATOM 241 C ASP A 19 -2.539 -12.114 -0.691 1.00 0.00 C ATOM 242 O ASP A 19 -1.403 -11.786 -1.031 1.00 0.00 O ATOM 243 CB ASP A 19 -3.113 -14.423 0.082 1.00 0.00 C ATOM 244 CG ASP A 19 -4.098 -14.443 -1.070 1.00 0.00 C ATOM 245 OD1 ASP A 19 -5.111 -13.717 -0.996 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.856 -15.185 -2.045 1.00 0.00 O ATOM 0 H ASP A 19 -4.504 -13.154 1.688 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.843 -13.028 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.201 -14.942 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.533 -14.972 0.925 1.00 0.00 H new ATOM 251 N GLU A 20 -3.630 -11.729 -1.346 1.00 0.00 N ATOM 252 CA GLU A 20 -3.551 -10.880 -2.529 1.00 0.00 C ATOM 253 C GLU A 20 -2.868 -9.555 -2.202 1.00 0.00 C ATOM 254 O GLU A 20 -1.829 -9.223 -2.774 1.00 0.00 O ATOM 255 CB GLU A 20 -4.949 -10.620 -3.092 1.00 0.00 C ATOM 256 CG GLU A 20 -5.370 -11.616 -4.159 1.00 0.00 C ATOM 257 CD GLU A 20 -5.432 -13.039 -3.638 1.00 0.00 C ATOM 258 OE1 GLU A 20 -6.430 -13.383 -2.971 1.00 0.00 O ATOM 259 OE2 GLU A 20 -4.482 -13.807 -3.897 1.00 0.00 O ATOM 0 H GLU A 20 -4.578 -11.991 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.956 -11.401 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.671 -10.648 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.981 -9.615 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.348 -11.333 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.669 -11.568 -4.992 1.00 0.00 H new ATOM 266 N ALA A 21 -3.459 -8.802 -1.280 1.00 0.00 N ATOM 267 CA ALA A 21 -2.907 -7.515 -0.877 1.00 0.00 C ATOM 268 C ALA A 21 -1.395 -7.597 -0.697 1.00 0.00 C ATOM 269 O ALA A 21 -0.653 -6.755 -1.205 1.00 0.00 O ATOM 270 CB ALA A 21 -3.568 -7.037 0.408 1.00 0.00 C ATOM 0 H ALA A 21 -4.320 -9.061 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.113 -6.795 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.146 -6.075 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.641 -6.930 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.391 -7.764 1.201 1.00 0.00 H new ATOM 276 N LEU A 22 -0.945 -8.614 0.028 1.00 0.00 N ATOM 277 CA LEU A 22 0.480 -8.806 0.276 1.00 0.00 C ATOM 278 C LEU A 22 1.267 -8.788 -1.031 1.00 0.00 C ATOM 279 O LEU A 22 2.160 -7.962 -1.216 1.00 0.00 O ATOM 280 CB LEU A 22 0.717 -10.128 1.008 1.00 0.00 C ATOM 281 CG LEU A 22 0.526 -10.098 2.525 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.784 -11.473 3.123 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.442 -9.060 3.157 1.00 0.00 C ATOM 0 H LEU A 22 -1.546 -9.319 0.455 1.00 0.00 H new ATOM 0 HA LEU A 22 0.829 -7.984 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.043 -10.877 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.733 -10.461 0.796 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.507 -9.820 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.643 -11.432 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.088 -12.193 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.806 -11.780 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.293 -9.052 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.480 -9.308 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.210 -8.075 2.752 1.00 0.00 H new ATOM 295 N GLU A 23 0.927 -9.703 -1.933 1.00 0.00 N ATOM 296 CA GLU A 23 1.602 -9.790 -3.223 1.00 0.00 C ATOM 297 C GLU A 23 1.651 -8.425 -3.904 1.00 0.00 C ATOM 298 O GLU A 23 2.693 -8.009 -4.412 1.00 0.00 O ATOM 299 CB GLU A 23 0.891 -10.798 -4.128 1.00 0.00 C ATOM 300 CG GLU A 23 1.211 -12.246 -3.795 1.00 0.00 C ATOM 301 CD GLU A 23 2.700 -12.536 -3.825 1.00 0.00 C ATOM 302 OE1 GLU A 23 3.410 -11.914 -4.642 1.00 0.00 O ATOM 303 OE2 GLU A 23 3.154 -13.385 -3.030 1.00 0.00 O ATOM 0 H GLU A 23 0.189 -10.394 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 23 2.624 -10.127 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.186 -10.646 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.168 -10.602 -5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.818 -12.483 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.703 -12.899 -4.505 1.00 0.00 H new ATOM 310 N HIS A 24 0.516 -7.733 -3.912 1.00 0.00 N ATOM 311 CA HIS A 24 0.429 -6.415 -4.531 1.00 0.00 C ATOM 312 C HIS A 24 1.418 -5.447 -3.889 1.00 0.00 C ATOM 313 O HIS A 24 2.177 -4.768 -4.581 1.00 0.00 O ATOM 314 CB HIS A 24 -0.992 -5.865 -4.411 1.00 0.00 C ATOM 315 CG HIS A 24 -1.885 -6.258 -5.547 1.00 0.00 C ATOM 316 ND1 HIS A 24 -3.060 -6.931 -5.558 1.00 0.00 N flip ATOM 317 CD2 HIS A 24 -1.603 -5.962 -6.864 1.00 0.00 C flip ATOM 318 CE1 HIS A 24 -3.462 -7.026 -6.868 1.00 0.00 C flip ATOM 319 NE2 HIS A 24 -2.566 -6.433 -7.635 1.00 0.00 N flip ATOM 0 H HIS A 24 -0.356 -8.063 -3.497 1.00 0.00 H new ATOM 0 HA HIS A 24 0.682 -6.519 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.431 -6.216 -3.477 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.948 -4.777 -4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.731 -5.428 -7.211 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.365 -7.508 -7.214 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.610 -6.352 -8.651 1.00 0.00 H new ATOM 327 N LEU A 25 1.403 -5.388 -2.562 1.00 0.00 N ATOM 328 CA LEU A 25 2.298 -4.502 -1.825 1.00 0.00 C ATOM 329 C LEU A 25 3.740 -4.673 -2.293 1.00 0.00 C ATOM 330 O LEU A 25 4.350 -3.738 -2.811 1.00 0.00 O ATOM 331 CB LEU A 25 2.201 -4.779 -0.324 1.00 0.00 C ATOM 332 CG LEU A 25 2.997 -3.842 0.585 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.158 -2.635 0.974 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.477 -4.582 1.825 1.00 0.00 C ATOM 0 H LEU A 25 0.781 -5.943 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 25 1.992 -3.474 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.152 -4.730 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.535 -5.800 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 25 3.870 -3.490 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.741 -1.980 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.865 -2.091 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.266 -2.968 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.042 -3.900 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.618 -4.964 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.116 -5.414 1.528 1.00 0.00 H new ATOM 346 N MET A 26 4.278 -5.874 -2.108 1.00 0.00 N ATOM 347 CA MET A 26 5.647 -6.169 -2.514 1.00 0.00 C ATOM 348 C MET A 26 5.855 -5.856 -3.993 1.00 0.00 C ATOM 349 O MET A 26 6.845 -5.230 -4.371 1.00 0.00 O ATOM 350 CB MET A 26 5.978 -7.637 -2.240 1.00 0.00 C ATOM 351 CG MET A 26 5.144 -8.611 -3.056 1.00 0.00 C ATOM 352 SD MET A 26 5.599 -10.331 -2.763 1.00 0.00 S ATOM 353 CE MET A 26 4.852 -10.610 -1.159 1.00 0.00 C ATOM 0 H MET A 26 3.787 -6.659 -1.680 1.00 0.00 H new ATOM 0 HA MET A 26 6.317 -5.538 -1.930 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.033 -7.809 -2.452 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.829 -7.843 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.090 -8.472 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.261 -8.384 -4.116 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.613 -10.953 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.415 -9.680 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.073 -11.367 -1.247 1.00 0.00 H new ATOM 363 N ARG A 27 4.915 -6.296 -4.824 1.00 0.00 N ATOM 364 CA ARG A 27 4.996 -6.063 -6.260 1.00 0.00 C ATOM 365 C ARG A 27 5.199 -4.581 -6.561 1.00 0.00 C ATOM 366 O ARG A 27 6.186 -4.193 -7.186 1.00 0.00 O ATOM 367 CB ARG A 27 3.728 -6.566 -6.952 1.00 0.00 C ATOM 368 CG ARG A 27 3.811 -8.018 -7.397 1.00 0.00 C ATOM 369 CD ARG A 27 4.678 -8.172 -8.637 1.00 0.00 C ATOM 370 NE ARG A 27 4.024 -7.643 -9.831 1.00 0.00 N ATOM 371 CZ ARG A 27 4.683 -7.222 -10.904 1.00 0.00 C ATOM 372 NH1 ARG A 27 6.008 -7.268 -10.933 1.00 0.00 N ATOM 373 NH2 ARG A 27 4.017 -6.754 -11.952 1.00 0.00 N ATOM 0 H ARG A 27 4.089 -6.816 -4.527 1.00 0.00 H new ATOM 0 HA ARG A 27 5.855 -6.614 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.884 -6.451 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.526 -5.940 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.219 -8.625 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.809 -8.394 -7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.625 -7.655 -8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.911 -9.226 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 27 3.005 -7.594 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.524 -7.628 -10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.512 -6.944 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.998 -6.717 -11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.524 -6.431 -12.776 1.00 0.00 H new ATOM 387 N VAL A 28 4.257 -3.757 -6.112 1.00 0.00 N ATOM 388 CA VAL A 28 4.333 -2.318 -6.333 1.00 0.00 C ATOM 389 C VAL A 28 5.475 -1.699 -5.535 1.00 0.00 C ATOM 390 O VAL A 28 6.024 -0.665 -5.917 1.00 0.00 O ATOM 391 CB VAL A 28 3.014 -1.622 -5.946 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.857 -2.177 -6.762 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.748 -1.775 -4.456 1.00 0.00 C ATOM 0 H VAL A 28 3.433 -4.061 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 28 4.516 -2.169 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 28 3.106 -0.559 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.934 -1.673 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.046 -2.010 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.760 -3.246 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.812 -1.277 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.676 -2.834 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.565 -1.324 -3.892 1.00 0.00 H new ATOM 403 N LEU A 29 5.829 -2.338 -4.426 1.00 0.00 N ATOM 404 CA LEU A 29 6.907 -1.851 -3.573 1.00 0.00 C ATOM 405 C LEU A 29 8.204 -1.706 -4.364 1.00 0.00 C ATOM 406 O LEU A 29 9.083 -0.928 -3.995 1.00 0.00 O ATOM 407 CB LEU A 29 7.120 -2.801 -2.393 1.00 0.00 C ATOM 408 CG LEU A 29 6.319 -2.490 -1.128 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.390 -3.653 -0.152 1.00 0.00 C ATOM 410 CD2 LEU A 29 6.826 -1.212 -0.476 1.00 0.00 C ATOM 0 H LEU A 29 5.385 -3.195 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 29 6.622 -0.870 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.872 -3.812 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.180 -2.799 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 29 5.276 -2.342 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.814 -3.413 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.978 -4.547 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.429 -3.834 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.244 -1.006 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.876 -1.332 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.721 -0.381 -1.174 1.00 0.00 H new ATOM 422 N GLU A 30 8.313 -2.459 -5.454 1.00 0.00 N ATOM 423 CA GLU A 30 9.502 -2.413 -6.297 1.00 0.00 C ATOM 424 C GLU A 30 9.299 -1.461 -7.472 1.00 0.00 C ATOM 425 O GLU A 30 9.984 -0.445 -7.589 1.00 0.00 O ATOM 426 CB GLU A 30 9.843 -3.812 -6.813 1.00 0.00 C ATOM 427 CG GLU A 30 10.393 -3.821 -8.230 1.00 0.00 C ATOM 428 CD GLU A 30 11.389 -4.941 -8.462 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.402 -4.994 -7.733 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.156 -5.764 -9.372 1.00 0.00 O ATOM 0 H GLU A 30 7.593 -3.107 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 30 10.331 -2.045 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.574 -4.268 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.947 -4.432 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.568 -3.922 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.873 -2.864 -8.435 1.00 0.00 H new ATOM 437 N LYS A 31 8.352 -1.797 -8.341 1.00 0.00 N ATOM 438 CA LYS A 31 8.056 -0.974 -9.508 1.00 0.00 C ATOM 439 C LYS A 31 7.880 0.488 -9.111 1.00 0.00 C ATOM 440 O LYS A 31 8.166 1.394 -9.895 1.00 0.00 O ATOM 441 CB LYS A 31 6.792 -1.479 -10.207 1.00 0.00 C ATOM 442 CG LYS A 31 6.455 -0.721 -11.479 1.00 0.00 C ATOM 443 CD LYS A 31 7.483 -0.977 -12.569 1.00 0.00 C ATOM 444 CE LYS A 31 7.320 -2.363 -13.174 1.00 0.00 C ATOM 445 NZ LYS A 31 6.158 -2.430 -14.103 1.00 0.00 N ATOM 0 H LYS A 31 7.776 -2.635 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 31 8.898 -1.047 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.917 -2.535 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.951 -1.405 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.468 -1.020 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.408 0.347 -11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.382 -0.224 -13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.486 -0.875 -12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.229 -2.634 -13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.190 -3.094 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.141 -3.359 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.277 -2.296 -13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.244 -1.682 -14.821 1.00 0.00 H new ATOM 459 N LYS A 32 7.409 0.713 -7.889 1.00 0.00 N ATOM 460 CA LYS A 32 7.197 2.065 -7.387 1.00 0.00 C ATOM 461 C LYS A 32 8.524 2.800 -7.228 1.00 0.00 C ATOM 462 O LYS A 32 8.792 3.778 -7.927 1.00 0.00 O ATOM 463 CB LYS A 32 6.462 2.023 -6.045 1.00 0.00 C ATOM 464 CG LYS A 32 4.984 1.696 -6.172 1.00 0.00 C ATOM 465 CD LYS A 32 4.170 2.925 -6.540 1.00 0.00 C ATOM 466 CE LYS A 32 2.747 2.831 -6.011 1.00 0.00 C ATOM 467 NZ LYS A 32 1.834 2.178 -6.990 1.00 0.00 N ATOM 0 H LYS A 32 7.167 -0.025 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 32 6.587 2.604 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.936 1.280 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.571 2.988 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.845 0.926 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.619 1.285 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.651 3.816 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.149 3.038 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.743 2.267 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.378 3.831 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.874 2.133 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.818 2.730 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.171 1.215 -7.190 1.00 0.00 H new ATOM 481 N THR A 33 9.354 2.322 -6.305 1.00 0.00 N ATOM 482 CA THR A 33 10.653 2.934 -6.055 1.00 0.00 C ATOM 483 C THR A 33 11.477 3.016 -7.335 1.00 0.00 C ATOM 484 O THR A 33 12.333 3.889 -7.477 1.00 0.00 O ATOM 485 CB THR A 33 11.449 2.149 -4.995 1.00 0.00 C ATOM 486 OG1 THR A 33 12.782 2.663 -4.904 1.00 0.00 O ATOM 487 CG2 THR A 33 11.493 0.668 -5.339 1.00 0.00 C ATOM 0 H THR A 33 9.149 1.513 -5.719 1.00 0.00 H new ATOM 0 HA THR A 33 10.462 3.941 -5.684 1.00 0.00 H new ATOM 0 HB THR A 33 10.948 2.268 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.363 1.993 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.060 0.134 -4.577 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.478 0.273 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.973 0.534 -6.309 1.00 0.00 H new ATOM 495 N GLU A 34 11.213 2.103 -8.264 1.00 0.00 N ATOM 496 CA GLU A 34 11.931 2.074 -9.532 1.00 0.00 C ATOM 497 C GLU A 34 11.891 3.439 -10.212 1.00 0.00 C ATOM 498 O GLU A 34 12.924 4.080 -10.402 1.00 0.00 O ATOM 499 CB GLU A 34 11.334 1.012 -10.458 1.00 0.00 C ATOM 500 CG GLU A 34 11.973 -0.358 -10.307 1.00 0.00 C ATOM 501 CD GLU A 34 13.468 -0.335 -10.564 1.00 0.00 C ATOM 502 OE1 GLU A 34 13.867 -0.345 -11.746 1.00 0.00 O ATOM 503 OE2 GLU A 34 14.237 -0.307 -9.580 1.00 0.00 O ATOM 0 H GLU A 34 10.507 1.374 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 34 12.971 1.822 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.265 0.929 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.442 1.342 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.787 -0.733 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.500 -1.054 -10.999 1.00 0.00 H new ATOM 510 N GLU A 35 10.689 3.877 -10.577 1.00 0.00 N ATOM 511 CA GLU A 35 10.514 5.165 -11.237 1.00 0.00 C ATOM 512 C GLU A 35 10.962 6.307 -10.329 1.00 0.00 C ATOM 513 O GLU A 35 11.588 7.266 -10.782 1.00 0.00 O ATOM 514 CB GLU A 35 9.051 5.362 -11.639 1.00 0.00 C ATOM 515 CG GLU A 35 8.560 4.353 -12.662 1.00 0.00 C ATOM 516 CD GLU A 35 8.781 4.814 -14.090 1.00 0.00 C ATOM 517 OE1 GLU A 35 8.074 5.745 -14.529 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.661 4.243 -14.767 1.00 0.00 O ATOM 0 H GLU A 35 9.823 3.359 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 35 11.134 5.172 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.426 5.297 -10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.926 6.367 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.074 3.405 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.497 4.169 -12.504 1.00 0.00 H new ATOM 525 N PHE A 36 10.637 6.197 -9.045 1.00 0.00 N ATOM 526 CA PHE A 36 11.004 7.220 -8.073 1.00 0.00 C ATOM 527 C PHE A 36 12.488 7.559 -8.174 1.00 0.00 C ATOM 528 O PHE A 36 12.888 8.709 -7.991 1.00 0.00 O ATOM 529 CB PHE A 36 10.672 6.749 -6.656 1.00 0.00 C ATOM 530 CG PHE A 36 11.612 7.281 -5.612 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.845 8.642 -5.499 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.263 6.420 -4.744 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.709 9.135 -4.540 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.128 6.907 -3.782 1.00 0.00 C ATOM 535 CZ PHE A 36 13.352 8.266 -3.681 1.00 0.00 C ATOM 0 H PHE A 36 10.120 5.410 -8.654 1.00 0.00 H new ATOM 0 HA PHE A 36 10.429 8.119 -8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.656 7.056 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.692 5.659 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.345 9.326 -6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.093 5.356 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.881 10.198 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.628 6.225 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.029 8.648 -2.931 1.00 0.00 H new ATOM 545 N LYS A 37 13.301 6.549 -8.467 1.00 0.00 N ATOM 546 CA LYS A 37 14.741 6.738 -8.594 1.00 0.00 C ATOM 547 C LYS A 37 15.128 7.012 -10.043 1.00 0.00 C ATOM 548 O LYS A 37 15.817 7.989 -10.336 1.00 0.00 O ATOM 549 CB LYS A 37 15.485 5.502 -8.081 1.00 0.00 C ATOM 550 CG LYS A 37 15.317 5.266 -6.590 1.00 0.00 C ATOM 551 CD LYS A 37 15.464 3.796 -6.238 1.00 0.00 C ATOM 552 CE LYS A 37 15.953 3.610 -4.810 1.00 0.00 C ATOM 553 NZ LYS A 37 14.999 4.180 -3.819 1.00 0.00 N ATOM 0 H LYS A 37 12.987 5.591 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 37 15.024 7.601 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.130 4.624 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.546 5.608 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.059 5.848 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.336 5.621 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.505 3.293 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.164 3.324 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.094 2.548 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.926 4.088 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.343 3.989 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.923 5.207 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.064 3.743 -3.946 1.00 0.00 H new ATOM 567 N GLN A 38 14.680 6.145 -10.945 1.00 0.00 N ATOM 568 CA GLN A 38 14.980 6.296 -12.364 1.00 0.00 C ATOM 569 C GLN A 38 14.500 7.648 -12.881 1.00 0.00 C ATOM 570 O GLN A 38 15.281 8.429 -13.423 1.00 0.00 O ATOM 571 CB GLN A 38 14.328 5.169 -13.168 1.00 0.00 C ATOM 572 CG GLN A 38 15.074 3.847 -13.077 1.00 0.00 C ATOM 573 CD GLN A 38 16.287 3.799 -13.986 1.00 0.00 C ATOM 574 OE1 GLN A 38 17.051 4.761 -14.072 1.00 0.00 O ATOM 575 NE2 GLN A 38 16.471 2.675 -14.668 1.00 0.00 N ATOM 0 H GLN A 38 14.108 5.331 -10.719 1.00 0.00 H new ATOM 0 HA GLN A 38 16.062 6.243 -12.488 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.307 5.026 -12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.264 5.470 -14.214 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.390 3.682 -12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.397 3.033 -13.337 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.812 1.903 -14.566 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.271 2.583 -15.294 1.00 0.00 H new ATOM 584 N ASN A 39 13.210 7.917 -12.711 1.00 0.00 N ATOM 585 CA ASN A 39 12.625 9.175 -13.161 1.00 0.00 C ATOM 586 C ASN A 39 12.633 10.211 -12.041 1.00 0.00 C ATOM 587 O ASN A 39 13.345 11.211 -12.110 1.00 0.00 O ATOM 588 CB ASN A 39 11.194 8.950 -13.653 1.00 0.00 C ATOM 589 CG ASN A 39 10.331 10.188 -13.508 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.817 11.314 -13.618 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.043 9.985 -13.259 1.00 0.00 N ATOM 0 H ASN A 39 12.549 7.281 -12.265 1.00 0.00 H new ATOM 0 HA ASN A 39 13.230 9.553 -13.985 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.216 8.647 -14.700 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.745 8.130 -13.093 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.413 10.780 -13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.683 9.034 -13.176 1.00 0.00 H new ATOM 598 N GLY A 40 11.833 9.962 -11.007 1.00 0.00 N ATOM 599 CA GLY A 40 11.763 10.881 -9.886 1.00 0.00 C ATOM 600 C GLY A 40 10.370 10.967 -9.294 1.00 0.00 C ATOM 601 O GLY A 40 9.390 11.139 -10.017 1.00 0.00 O ATOM 0 H GLY A 40 11.233 9.141 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.464 10.562 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.078 11.872 -10.212 1.00 0.00 H new ATOM 605 N GLY A 41 10.282 10.845 -7.973 1.00 0.00 N ATOM 606 CA GLY A 41 8.994 10.911 -7.306 1.00 0.00 C ATOM 607 C GLY A 41 9.126 11.078 -5.806 1.00 0.00 C ATOM 608 O GLY A 41 10.180 11.475 -5.307 1.00 0.00 O ATOM 0 H GLY A 41 11.079 10.702 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.420 11.744 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.431 10.002 -7.519 1.00 0.00 H new ATOM 612 N LYS A 42 8.053 10.777 -5.082 1.00 0.00 N ATOM 613 CA LYS A 42 8.052 10.896 -3.629 1.00 0.00 C ATOM 614 C LYS A 42 8.819 9.744 -2.988 1.00 0.00 C ATOM 615 O LYS A 42 8.656 8.580 -3.352 1.00 0.00 O ATOM 616 CB LYS A 42 6.616 10.924 -3.100 1.00 0.00 C ATOM 617 CG LYS A 42 5.812 12.117 -3.584 1.00 0.00 C ATOM 618 CD LYS A 42 4.318 11.863 -3.478 1.00 0.00 C ATOM 619 CE LYS A 42 3.515 13.104 -3.838 1.00 0.00 C ATOM 620 NZ LYS A 42 2.055 12.902 -3.621 1.00 0.00 N ATOM 0 H LYS A 42 7.172 10.449 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 42 8.548 11.830 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.109 10.008 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.639 10.930 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.075 12.997 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.072 12.336 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.039 11.043 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.072 11.551 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.858 13.946 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.695 13.363 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.543 13.770 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.722 12.115 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.880 12.680 -2.620 1.00 0.00 H new ATOM 634 N PRO A 43 9.676 10.074 -2.009 1.00 0.00 N ATOM 635 CA PRO A 43 10.484 9.081 -1.296 1.00 0.00 C ATOM 636 C PRO A 43 9.640 8.189 -0.391 1.00 0.00 C ATOM 637 O PRO A 43 10.163 7.308 0.291 1.00 0.00 O ATOM 638 CB PRO A 43 11.442 9.935 -0.462 1.00 0.00 C ATOM 639 CG PRO A 43 10.729 11.229 -0.274 1.00 0.00 C ATOM 640 CD PRO A 43 9.921 11.443 -1.524 1.00 0.00 C ATOM 0 HA PRO A 43 10.987 8.398 -1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.663 9.462 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.393 10.078 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.086 11.196 0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.435 12.045 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.989 11.968 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.465 12.038 -2.257 1.00 0.00 H new ATOM 648 N TYR A 44 8.333 8.425 -0.389 1.00 0.00 N ATOM 649 CA TYR A 44 7.417 7.644 0.434 1.00 0.00 C ATOM 650 C TYR A 44 6.274 7.082 -0.406 1.00 0.00 C ATOM 651 O TYR A 44 6.031 7.532 -1.526 1.00 0.00 O ATOM 652 CB TYR A 44 6.856 8.505 1.567 1.00 0.00 C ATOM 653 CG TYR A 44 5.989 9.647 1.088 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.547 10.869 0.733 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.610 9.504 0.988 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.758 11.915 0.296 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.814 10.544 0.550 1.00 0.00 C ATOM 658 CZ TYR A 44 4.392 11.747 0.206 1.00 0.00 C ATOM 659 OH TYR A 44 3.603 12.787 -0.231 1.00 0.00 O ATOM 0 H TYR A 44 7.884 9.151 -0.948 1.00 0.00 H new ATOM 0 HA TYR A 44 7.974 6.810 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.273 7.874 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.684 8.908 2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.617 11.003 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.153 8.563 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.208 12.859 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.744 10.415 0.477 1.00 0.00 H new ATOM 0 HH TYR A 44 2.664 12.505 -0.238 1.00 0.00 H new ATOM 669 N LEU A 45 5.574 6.096 0.144 1.00 0.00 N ATOM 670 CA LEU A 45 4.455 5.471 -0.552 1.00 0.00 C ATOM 671 C LEU A 45 3.232 5.380 0.355 1.00 0.00 C ATOM 672 O LEU A 45 3.357 5.232 1.570 1.00 0.00 O ATOM 673 CB LEU A 45 4.847 4.075 -1.040 1.00 0.00 C ATOM 674 CG LEU A 45 3.897 3.424 -2.046 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.213 3.893 -3.458 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.981 1.908 -1.954 1.00 0.00 C ATOM 0 H LEU A 45 5.762 5.712 1.070 1.00 0.00 H new ATOM 0 HA LEU A 45 4.202 6.092 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.837 4.135 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.931 3.419 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 45 2.878 3.727 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.527 3.420 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.101 4.976 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.237 3.620 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.298 1.461 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.000 1.586 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.705 1.589 -0.949 1.00 0.00 H new ATOM 688 N SER A 46 2.049 5.467 -0.245 1.00 0.00 N ATOM 689 CA SER A 46 0.802 5.395 0.508 1.00 0.00 C ATOM 690 C SER A 46 0.093 4.068 0.260 1.00 0.00 C ATOM 691 O SER A 46 0.106 3.542 -0.853 1.00 0.00 O ATOM 692 CB SER A 46 -0.117 6.557 0.126 1.00 0.00 C ATOM 693 OG SER A 46 0.444 7.800 0.513 1.00 0.00 O ATOM 0 H SER A 46 1.928 5.587 -1.251 1.00 0.00 H new ATOM 0 HA SER A 46 1.043 5.465 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.288 6.551 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.088 6.429 0.603 1.00 0.00 H new ATOM 0 HG SER A 46 -0.162 8.526 0.256 1.00 0.00 H new ATOM 699 N VAL A 47 -0.528 3.531 1.306 1.00 0.00 N ATOM 700 CA VAL A 47 -1.244 2.265 1.203 1.00 0.00 C ATOM 701 C VAL A 47 -2.515 2.283 2.046 1.00 0.00 C ATOM 702 O VAL A 47 -2.457 2.366 3.273 1.00 0.00 O ATOM 703 CB VAL A 47 -0.363 1.084 1.649 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.165 -0.209 1.654 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.857 0.960 0.748 1.00 0.00 C ATOM 0 H VAL A 47 -0.549 3.953 2.234 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.508 2.135 0.154 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.019 1.274 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.526 -1.033 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.004 -0.114 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.541 -0.408 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.469 0.120 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.535 0.793 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.443 1.878 0.800 1.00 0.00 H new ATOM 715 N ILE A 48 -3.661 2.204 1.379 1.00 0.00 N ATOM 716 CA ILE A 48 -4.947 2.210 2.066 1.00 0.00 C ATOM 717 C ILE A 48 -5.512 0.799 2.187 1.00 0.00 C ATOM 718 O ILE A 48 -5.972 0.216 1.205 1.00 0.00 O ATOM 719 CB ILE A 48 -5.971 3.101 1.338 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.511 4.560 1.353 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.342 2.965 1.982 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.289 5.447 0.406 1.00 0.00 C ATOM 0 H ILE A 48 -3.726 2.135 0.363 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.770 2.615 3.063 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.044 2.774 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.605 4.952 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.454 4.602 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.055 3.600 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.670 1.927 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.285 3.270 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.910 6.467 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.175 5.079 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.344 5.435 0.680 1.00 0.00 H new ATOM 734 N THR A 49 -5.475 0.254 3.399 1.00 0.00 N ATOM 735 CA THR A 49 -5.984 -1.089 3.649 1.00 0.00 C ATOM 736 C THR A 49 -7.446 -1.051 4.079 1.00 0.00 C ATOM 737 O THR A 49 -8.252 -1.872 3.644 1.00 0.00 O ATOM 738 CB THR A 49 -5.160 -1.809 4.733 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.112 -1.012 5.922 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.746 -2.085 4.244 1.00 0.00 C ATOM 0 H THR A 49 -5.098 0.722 4.223 1.00 0.00 H new ATOM 0 HA THR A 49 -5.898 -1.640 2.712 1.00 0.00 H new ATOM 0 HB THR A 49 -5.643 -2.761 4.953 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.215 -1.061 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.183 -2.594 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.785 -2.716 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.256 -1.143 3.999 1.00 0.00 H new ATOM 885 N ARG A 61 -8.449 -7.806 8.201 1.00 0.00 N ATOM 886 CA ARG A 61 -7.273 -8.586 8.569 1.00 0.00 C ATOM 887 C ARG A 61 -6.164 -8.418 7.535 1.00 0.00 C ATOM 888 O ARG A 61 -5.233 -9.222 7.473 1.00 0.00 O ATOM 889 CB ARG A 61 -7.639 -10.065 8.705 1.00 0.00 C ATOM 890 CG ARG A 61 -6.548 -10.906 9.349 1.00 0.00 C ATOM 891 CD ARG A 61 -7.080 -12.256 9.802 1.00 0.00 C ATOM 892 NE ARG A 61 -6.017 -13.252 9.919 1.00 0.00 N ATOM 893 CZ ARG A 61 -5.483 -13.882 8.879 1.00 0.00 C ATOM 894 NH1 ARG A 61 -5.909 -13.621 7.651 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.519 -14.774 9.066 1.00 0.00 N ATOM 0 HA ARG A 61 -6.909 -8.219 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.550 -10.152 9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.861 -10.468 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.734 -11.054 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.132 -10.372 10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.580 -12.144 10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.829 -12.607 9.092 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.666 -13.475 10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.649 -12.935 7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.497 -14.107 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.187 -14.976 10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.109 -15.257 8.267 1.00 0.00 H new ATOM 909 N ILE A 62 -6.269 -7.368 6.727 1.00 0.00 N ATOM 910 CA ILE A 62 -5.275 -7.095 5.697 1.00 0.00 C ATOM 911 C ILE A 62 -4.119 -6.271 6.254 1.00 0.00 C ATOM 912 O ILE A 62 -2.951 -6.587 6.028 1.00 0.00 O ATOM 913 CB ILE A 62 -5.894 -6.348 4.501 1.00 0.00 C ATOM 914 CG1 ILE A 62 -7.072 -7.140 3.932 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.843 -6.104 3.428 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.813 -6.413 2.831 1.00 0.00 C ATOM 0 H ILE A 62 -7.032 -6.693 6.766 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.900 -8.060 5.357 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.263 -5.382 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.707 -8.092 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.769 -7.369 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.295 -5.575 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.033 -5.503 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.446 -7.059 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.635 -7.033 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.208 -5.473 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.130 -6.208 2.007 1.00 0.00 H new ATOM 928 N LYS A 63 -4.452 -5.213 6.986 1.00 0.00 N ATOM 929 CA LYS A 63 -3.443 -4.344 7.580 1.00 0.00 C ATOM 930 C LYS A 63 -2.405 -5.159 8.344 1.00 0.00 C ATOM 931 O LYS A 63 -1.199 -4.940 8.225 1.00 0.00 O ATOM 932 CB LYS A 63 -4.102 -3.329 8.517 1.00 0.00 C ATOM 933 CG LYS A 63 -3.291 -2.058 8.703 1.00 0.00 C ATOM 934 CD LYS A 63 -2.407 -2.137 9.936 1.00 0.00 C ATOM 935 CE LYS A 63 -3.198 -1.874 11.208 1.00 0.00 C ATOM 936 NZ LYS A 63 -3.789 -3.124 11.762 1.00 0.00 N ATOM 0 H LYS A 63 -5.414 -4.937 7.182 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.939 -3.811 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.085 -3.069 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.261 -3.795 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.673 -1.887 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.964 -1.205 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.945 -3.123 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.599 -1.411 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.546 -1.419 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.993 -1.158 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.618 -3.164 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.813 -3.134 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.349 -3.948 11.305 1.00 0.00 H new ATOM 950 N PRO A 64 -2.881 -6.122 9.147 1.00 0.00 N ATOM 951 CA PRO A 64 -2.010 -6.990 9.945 1.00 0.00 C ATOM 952 C PRO A 64 -0.862 -7.570 9.126 1.00 0.00 C ATOM 953 O PRO A 64 0.307 -7.306 9.406 1.00 0.00 O ATOM 954 CB PRO A 64 -2.951 -8.104 10.412 1.00 0.00 C ATOM 955 CG PRO A 64 -4.304 -7.481 10.412 1.00 0.00 C ATOM 956 CD PRO A 64 -4.307 -6.438 9.338 1.00 0.00 C ATOM 0 HA PRO A 64 -1.531 -6.448 10.761 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.911 -8.963 9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.680 -8.461 11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.073 -8.230 10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.523 -7.036 11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.760 -6.812 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.875 -5.557 9.638 1.00 0.00 H new ATOM 964 N ALA A 65 -1.204 -8.360 8.114 1.00 0.00 N ATOM 965 CA ALA A 65 -0.201 -8.975 7.253 1.00 0.00 C ATOM 966 C ALA A 65 0.824 -7.949 6.785 1.00 0.00 C ATOM 967 O ALA A 65 2.021 -8.092 7.038 1.00 0.00 O ATOM 968 CB ALA A 65 -0.869 -9.641 6.058 1.00 0.00 C ATOM 0 H ALA A 65 -2.167 -8.589 7.870 1.00 0.00 H new ATOM 0 HA ALA A 65 0.324 -9.735 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.109 -10.096 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.558 -10.410 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.420 -8.894 5.486 1.00 0.00 H new ATOM 974 N VAL A 66 0.349 -6.914 6.099 1.00 0.00 N ATOM 975 CA VAL A 66 1.225 -5.863 5.596 1.00 0.00 C ATOM 976 C VAL A 66 2.317 -5.527 6.605 1.00 0.00 C ATOM 977 O VAL A 66 3.506 -5.602 6.296 1.00 0.00 O ATOM 978 CB VAL A 66 0.434 -4.583 5.266 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.371 -3.486 4.783 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.640 -4.874 4.228 1.00 0.00 C ATOM 0 H VAL A 66 -0.638 -6.781 5.879 1.00 0.00 H new ATOM 0 HA VAL A 66 1.683 -6.243 4.683 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.056 -4.234 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.795 -2.590 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.099 -3.260 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.891 -3.821 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.189 -3.959 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.173 -5.247 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.328 -5.625 4.617 1.00 0.00 H new ATOM 990 N ILE A 67 1.904 -5.157 7.813 1.00 0.00 N ATOM 991 CA ILE A 67 2.847 -4.810 8.869 1.00 0.00 C ATOM 992 C ILE A 67 3.868 -5.923 9.081 1.00 0.00 C ATOM 993 O ILE A 67 5.057 -5.664 9.267 1.00 0.00 O ATOM 994 CB ILE A 67 2.124 -4.531 10.200 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.228 -3.298 10.070 1.00 0.00 C ATOM 996 CG2 ILE A 67 3.134 -4.342 11.322 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.196 -3.182 11.169 1.00 0.00 C ATOM 0 H ILE A 67 0.923 -5.090 8.084 1.00 0.00 H new ATOM 0 HA ILE A 67 3.362 -3.904 8.548 1.00 0.00 H new ATOM 0 HB ILE A 67 1.497 -5.389 10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.852 -2.404 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.719 -3.329 9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.608 -4.146 12.256 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.735 -5.246 11.427 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.784 -3.499 11.088 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.403 -2.285 11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.452 -4.058 11.154 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.698 -3.119 12.134 1.00 0.00 H new ATOM 1009 N LYS A 68 3.395 -7.165 9.051 1.00 0.00 N ATOM 1010 CA LYS A 68 4.266 -8.320 9.237 1.00 0.00 C ATOM 1011 C LYS A 68 5.322 -8.387 8.139 1.00 0.00 C ATOM 1012 O LYS A 68 6.474 -8.741 8.393 1.00 0.00 O ATOM 1013 CB LYS A 68 3.442 -9.609 9.247 1.00 0.00 C ATOM 1014 CG LYS A 68 4.108 -10.751 9.995 1.00 0.00 C ATOM 1015 CD LYS A 68 3.127 -11.875 10.286 1.00 0.00 C ATOM 1016 CE LYS A 68 2.759 -12.635 9.021 1.00 0.00 C ATOM 1017 NZ LYS A 68 1.585 -13.527 9.231 1.00 0.00 N ATOM 0 H LYS A 68 2.413 -7.397 8.900 1.00 0.00 H new ATOM 0 HA LYS A 68 4.772 -8.212 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.471 -9.406 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.256 -9.919 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.940 -11.137 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.525 -10.380 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.564 -12.562 11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.225 -11.464 10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.538 -11.926 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.612 -13.229 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.366 -14.027 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.804 -14.220 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.764 -12.958 9.519 1.00 0.00 H new ATOM 1031 N TYR A 69 4.923 -8.044 6.919 1.00 0.00 N ATOM 1032 CA TYR A 69 5.836 -8.067 5.782 1.00 0.00 C ATOM 1033 C TYR A 69 6.854 -6.935 5.878 1.00 0.00 C ATOM 1034 O TYR A 69 8.045 -7.133 5.634 1.00 0.00 O ATOM 1035 CB TYR A 69 5.054 -7.956 4.472 1.00 0.00 C ATOM 1036 CG TYR A 69 5.929 -7.698 3.266 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.565 -6.475 3.092 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.119 -8.678 2.300 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.364 -6.235 1.991 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.918 -8.448 1.196 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.537 -7.225 1.046 1.00 0.00 C ATOM 1042 OH TYR A 69 8.333 -6.990 -0.052 1.00 0.00 O ATOM 0 H TYR A 69 3.974 -7.747 6.692 1.00 0.00 H new ATOM 0 HA TYR A 69 6.373 -9.016 5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.494 -8.877 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.325 -7.151 4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.432 -5.698 3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.634 -9.636 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.850 -5.278 1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.057 -9.222 0.455 1.00 0.00 H new ATOM 0 HH TYR A 69 9.216 -7.390 0.092 1.00 0.00 H new ATOM 1052 N LEU A 70 6.377 -5.748 6.236 1.00 0.00 N ATOM 1053 CA LEU A 70 7.245 -4.583 6.366 1.00 0.00 C ATOM 1054 C LEU A 70 8.346 -4.835 7.390 1.00 0.00 C ATOM 1055 O LEU A 70 9.533 -4.750 7.073 1.00 0.00 O ATOM 1056 CB LEU A 70 6.426 -3.356 6.773 1.00 0.00 C ATOM 1057 CG LEU A 70 5.272 -2.980 5.842 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.291 -2.061 6.552 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.801 -2.324 4.575 1.00 0.00 C ATOM 0 H LEU A 70 5.394 -5.567 6.441 1.00 0.00 H new ATOM 0 HA LEU A 70 7.711 -4.398 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.021 -3.529 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.100 -2.502 6.847 1.00 0.00 H new ATOM 0 HG LEU A 70 4.745 -3.892 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.477 -1.804 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.887 -2.568 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.805 -1.151 6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.966 -2.063 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.353 -1.421 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.463 -3.017 4.056 1.00 0.00 H new ATOM 1071 N ILE A 71 7.945 -5.148 8.618 1.00 0.00 N ATOM 1072 CA ILE A 71 8.899 -5.416 9.687 1.00 0.00 C ATOM 1073 C ILE A 71 9.978 -6.392 9.230 1.00 0.00 C ATOM 1074 O ILE A 71 11.159 -6.211 9.525 1.00 0.00 O ATOM 1075 CB ILE A 71 8.200 -5.989 10.934 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.148 -5.006 11.453 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.221 -6.301 12.018 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.172 -5.625 12.429 1.00 0.00 C ATOM 0 H ILE A 71 6.967 -5.222 8.897 1.00 0.00 H new ATOM 0 HA ILE A 71 9.360 -4.463 9.944 1.00 0.00 H new ATOM 0 HB ILE A 71 7.699 -6.916 10.657 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.652 -4.169 11.937 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.594 -4.599 10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.711 -6.705 12.893 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.936 -7.034 11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.748 -5.388 12.295 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.456 -4.871 12.755 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.641 -6.444 11.943 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.715 -6.007 13.293 1.00 0.00 H new ATOM 1090 N SER A 72 9.564 -7.426 8.505 1.00 0.00 N ATOM 1091 CA SER A 72 10.494 -8.433 8.008 1.00 0.00 C ATOM 1092 C SER A 72 11.639 -7.781 7.238 1.00 0.00 C ATOM 1093 O SER A 72 12.812 -8.004 7.541 1.00 0.00 O ATOM 1094 CB SER A 72 9.765 -9.433 7.109 1.00 0.00 C ATOM 1095 OG SER A 72 10.575 -10.564 6.841 1.00 0.00 O ATOM 0 H SER A 72 8.590 -7.588 8.249 1.00 0.00 H new ATOM 0 HA SER A 72 10.909 -8.963 8.865 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.839 -9.751 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.489 -8.950 6.172 1.00 0.00 H new ATOM 0 HG SER A 72 10.085 -11.188 6.266 1.00 0.00 H new ATOM 1101 N HIS A 73 11.290 -6.974 6.241 1.00 0.00 N ATOM 1102 CA HIS A 73 12.288 -6.288 5.428 1.00 0.00 C ATOM 1103 C HIS A 73 12.752 -5.003 6.106 1.00 0.00 C ATOM 1104 O HIS A 73 13.352 -4.136 5.471 1.00 0.00 O ATOM 1105 CB HIS A 73 11.718 -5.971 4.045 1.00 0.00 C ATOM 1106 CG HIS A 73 11.289 -7.186 3.281 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.979 -8.434 3.704 1.00 0.00 N flip ATOM 1108 CD2 HIS A 73 11.138 -7.198 1.910 1.00 0.00 C flip ATOM 1109 CE1 HIS A 73 10.649 -9.170 2.592 1.00 0.00 C flip ATOM 1110 NE2 HIS A 73 10.752 -8.401 1.523 1.00 0.00 N flip ATOM 0 H HIS A 73 10.324 -6.779 5.977 1.00 0.00 H new ATOM 0 HA HIS A 73 13.147 -6.949 5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.864 -5.302 4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.469 -5.434 3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.309 -6.356 1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.353 -10.209 2.592 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.565 -8.687 0.562 1.00 0.00 H new ATOM 1118 N SER A 74 12.470 -4.888 7.400 1.00 0.00 N ATOM 1119 CA SER A 74 12.855 -3.706 8.164 1.00 0.00 C ATOM 1120 C SER A 74 12.344 -2.435 7.492 1.00 0.00 C ATOM 1121 O SER A 74 13.079 -1.458 7.347 1.00 0.00 O ATOM 1122 CB SER A 74 14.376 -3.643 8.312 1.00 0.00 C ATOM 1123 OG SER A 74 14.833 -4.565 9.286 1.00 0.00 O ATOM 0 H SER A 74 11.977 -5.598 7.941 1.00 0.00 H new ATOM 0 HA SER A 74 12.404 -3.779 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.847 -3.859 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.675 -2.634 8.594 1.00 0.00 H new ATOM 0 HG SER A 74 15.808 -4.506 9.360 1.00 0.00 H new ATOM 1129 N PHE A 75 11.080 -2.456 7.084 1.00 0.00 N ATOM 1130 CA PHE A 75 10.469 -1.307 6.427 1.00 0.00 C ATOM 1131 C PHE A 75 9.925 -0.318 7.454 1.00 0.00 C ATOM 1132 O PHE A 75 9.397 -0.715 8.494 1.00 0.00 O ATOM 1133 CB PHE A 75 9.345 -1.763 5.495 1.00 0.00 C ATOM 1134 CG PHE A 75 9.808 -2.064 4.099 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.364 -1.069 3.310 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.689 -3.341 3.575 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.790 -1.344 2.024 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.114 -3.621 2.290 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.667 -2.621 1.514 1.00 0.00 C ATOM 0 H PHE A 75 10.458 -3.257 7.197 1.00 0.00 H new ATOM 0 HA PHE A 75 11.238 -0.806 5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.876 -2.654 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.580 -0.988 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.465 -0.069 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.259 -4.127 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.219 -0.560 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.014 -4.620 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.002 -2.838 0.511 1.00 0.00 H new ATOM 1149 N ARG A 76 10.057 0.970 7.156 1.00 0.00 N ATOM 1150 CA ARG A 76 9.580 2.015 8.053 1.00 0.00 C ATOM 1151 C ARG A 76 8.233 2.559 7.587 1.00 0.00 C ATOM 1152 O ARG A 76 7.988 2.696 6.388 1.00 0.00 O ATOM 1153 CB ARG A 76 10.601 3.152 8.134 1.00 0.00 C ATOM 1154 CG ARG A 76 10.554 3.920 9.445 1.00 0.00 C ATOM 1155 CD ARG A 76 11.088 3.086 10.599 1.00 0.00 C ATOM 1156 NE ARG A 76 12.527 3.260 10.781 1.00 0.00 N ATOM 1157 CZ ARG A 76 13.304 2.370 11.387 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.785 1.248 11.866 1.00 0.00 N ATOM 1159 NH2 ARG A 76 14.605 2.601 11.513 1.00 0.00 N ATOM 0 H ARG A 76 10.491 1.315 6.300 1.00 0.00 H new ATOM 0 HA ARG A 76 9.453 1.578 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.601 2.741 7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.427 3.845 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.140 4.834 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.527 4.220 9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.570 3.364 11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.870 2.034 10.417 1.00 0.00 H new ATOM 0 HE ARG A 76 12.959 4.112 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.786 1.066 11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.385 0.566 12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.008 3.462 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.202 1.917 11.979 1.00 0.00 H new ATOM 1173 N PHE A 77 7.362 2.868 8.542 1.00 0.00 N ATOM 1174 CA PHE A 77 6.040 3.396 8.229 1.00 0.00 C ATOM 1175 C PHE A 77 5.444 4.118 9.434 1.00 0.00 C ATOM 1176 O PHE A 77 5.770 3.810 10.580 1.00 0.00 O ATOM 1177 CB PHE A 77 5.108 2.266 7.786 1.00 0.00 C ATOM 1178 CG PHE A 77 4.929 1.194 8.824 1.00 0.00 C ATOM 1179 CD1 PHE A 77 5.995 0.394 9.203 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.696 0.988 9.420 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.834 -0.593 10.157 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.529 0.003 10.376 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.599 -0.789 10.744 1.00 0.00 C ATOM 0 H PHE A 77 7.548 2.762 9.539 1.00 0.00 H new ATOM 0 HA PHE A 77 6.146 4.112 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.133 2.686 7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.503 1.816 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.963 0.543 8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.856 1.603 9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.673 -1.210 10.443 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.563 -0.147 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.470 -1.560 11.489 1.00 0.00 H new ATOM 1193 N SER A 78 4.569 5.083 9.165 1.00 0.00 N ATOM 1194 CA SER A 78 3.931 5.853 10.226 1.00 0.00 C ATOM 1195 C SER A 78 2.446 6.051 9.935 1.00 0.00 C ATOM 1196 O SER A 78 2.067 6.450 8.834 1.00 0.00 O ATOM 1197 CB SER A 78 4.617 7.211 10.383 1.00 0.00 C ATOM 1198 OG SER A 78 5.731 7.122 11.254 1.00 0.00 O ATOM 0 H SER A 78 4.286 5.349 8.222 1.00 0.00 H new ATOM 0 HA SER A 78 4.030 5.295 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.942 7.573 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.905 7.939 10.772 1.00 0.00 H new ATOM 0 HG SER A 78 6.153 8.003 11.336 1.00 0.00 H new ATOM 1204 N GLU A 79 1.612 5.770 10.931 1.00 0.00 N ATOM 1205 CA GLU A 79 0.169 5.916 10.782 1.00 0.00 C ATOM 1206 C GLU A 79 -0.245 7.380 10.899 1.00 0.00 C ATOM 1207 O GLU A 79 -0.269 7.944 11.993 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.562 5.083 11.836 1.00 0.00 C ATOM 1209 CG GLU A 79 -2.075 5.121 11.701 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.784 4.513 12.896 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.492 4.934 14.035 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.629 3.617 12.693 1.00 0.00 O ATOM 0 H GLU A 79 1.910 5.440 11.849 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.106 5.557 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.225 4.049 11.767 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.285 5.443 12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.399 6.154 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.369 4.586 10.798 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.568 7.990 9.764 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.981 9.388 9.738 1.00 0.00 C ATOM 1221 C ILE A 80 -2.489 9.512 9.546 1.00 0.00 C ATOM 1222 O ILE A 80 -3.081 10.548 9.850 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.266 10.166 8.618 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.483 9.476 7.269 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.219 10.289 8.923 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.501 10.432 6.097 1.00 0.00 C ATOM 0 H ILE A 80 -0.552 7.538 8.850 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.703 9.817 10.701 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.690 11.169 8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.307 8.740 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.426 8.930 7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.710 10.841 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.354 10.819 9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.658 9.294 9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.659 9.874 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.308 11.153 6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.451 10.960 6.043 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.105 8.449 9.042 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.545 8.436 8.812 1.00 0.00 C ATOM 1240 C LYS A 81 -5.163 7.131 9.302 1.00 0.00 C ATOM 1241 O LYS A 81 -4.511 6.087 9.351 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.846 8.629 7.324 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.067 9.767 6.688 1.00 0.00 C ATOM 1244 CD LYS A 81 -4.875 11.054 6.669 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.521 11.326 8.019 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.370 12.549 7.990 1.00 0.00 N ATOM 0 H LYS A 81 -2.629 7.584 8.785 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.985 9.259 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.620 7.704 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.913 8.816 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.140 9.927 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.790 9.495 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.227 11.888 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.646 10.989 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.128 10.469 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.746 11.440 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.793 12.701 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.786 13.371 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.125 12.431 7.285 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.451 7.187 9.672 1.00 0.00 N ATOM 1261 CA PRO A 82 -7.185 6.017 10.163 1.00 0.00 C ATOM 1262 C PRO A 82 -7.444 4.992 9.063 1.00 0.00 C ATOM 1263 O PRO A 82 -8.541 4.926 8.509 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.505 6.610 10.663 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.676 7.866 9.880 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.290 8.397 9.640 1.00 0.00 C ATOM 0 HA PRO A 82 -6.627 5.478 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.335 5.924 10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.468 6.813 11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.188 7.672 8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.281 8.588 10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.217 8.911 8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.995 9.111 10.409 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.428 4.193 8.753 1.00 0.00 N ATOM 1275 CA GLY A 83 -6.567 3.182 7.721 1.00 0.00 C ATOM 1276 C GLY A 83 -5.509 3.306 6.643 1.00 0.00 C ATOM 1277 O GLY A 83 -5.395 2.440 5.774 1.00 0.00 O ATOM 0 H GLY A 83 -5.511 4.228 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.505 2.193 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.555 3.263 7.268 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.735 4.384 6.696 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.683 4.619 5.714 1.00 0.00 C ATOM 1283 C CYS A 84 -2.317 4.248 6.281 1.00 0.00 C ATOM 1284 O CYS A 84 -2.115 4.254 7.497 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.685 6.084 5.274 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.017 6.358 3.616 1.00 0.00 S ATOM 0 H CYS A 84 -4.816 5.109 7.409 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.881 3.987 4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.707 6.461 5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.105 6.668 5.989 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.063 7.626 3.334 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.382 3.925 5.395 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.034 3.549 5.807 1.00 0.00 C ATOM 1294 C LEU A 85 1.011 4.163 4.880 1.00 0.00 C ATOM 1295 O LEU A 85 1.071 3.839 3.694 1.00 0.00 O ATOM 1296 CB LEU A 85 0.111 2.027 5.819 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.583 1.295 6.969 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.377 -0.206 6.848 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.071 1.801 8.309 1.00 0.00 C ATOM 0 H LEU A 85 -1.532 3.916 4.386 1.00 0.00 H new ATOM 0 HA LEU A 85 0.131 3.932 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.279 1.638 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.173 1.784 5.848 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.652 1.499 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.878 -0.710 7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.794 -0.556 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.689 -0.431 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.576 1.269 9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.003 1.628 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.273 2.869 8.396 1.00 0.00 H new ATOM 1311 N LYS A 86 1.833 5.051 5.429 1.00 0.00 N ATOM 1312 CA LYS A 86 2.878 5.709 4.654 1.00 0.00 C ATOM 1313 C LYS A 86 4.232 5.050 4.897 1.00 0.00 C ATOM 1314 O LYS A 86 4.819 5.193 5.969 1.00 0.00 O ATOM 1315 CB LYS A 86 2.950 7.195 5.014 1.00 0.00 C ATOM 1316 CG LYS A 86 4.052 7.944 4.286 1.00 0.00 C ATOM 1317 CD LYS A 86 4.520 9.154 5.077 1.00 0.00 C ATOM 1318 CE LYS A 86 5.136 10.209 4.171 1.00 0.00 C ATOM 1319 NZ LYS A 86 5.861 11.253 4.947 1.00 0.00 N ATOM 0 H LYS A 86 1.795 5.332 6.409 1.00 0.00 H new ATOM 0 HA LYS A 86 2.629 5.609 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.992 7.662 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.104 7.293 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.894 7.274 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.691 8.264 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.677 9.585 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.251 8.842 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.824 9.732 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.353 10.678 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.266 11.953 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.199 11.727 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.625 10.810 5.496 1.00 0.00 H new ATOM 1333 N VAL A 87 4.722 4.329 3.893 1.00 0.00 N ATOM 1334 CA VAL A 87 6.009 3.651 3.997 1.00 0.00 C ATOM 1335 C VAL A 87 7.086 4.393 3.214 1.00 0.00 C ATOM 1336 O VAL A 87 6.958 4.604 2.009 1.00 0.00 O ATOM 1337 CB VAL A 87 5.922 2.202 3.482 1.00 0.00 C ATOM 1338 CG1 VAL A 87 7.278 1.519 3.577 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.869 1.424 4.257 1.00 0.00 C ATOM 0 H VAL A 87 4.248 4.200 2.999 1.00 0.00 H new ATOM 0 HA VAL A 87 6.276 3.638 5.054 1.00 0.00 H new ATOM 0 HB VAL A 87 5.626 2.225 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.197 0.496 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.004 2.065 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.607 1.505 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.821 0.402 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.133 1.409 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.898 1.903 4.132 1.00 0.00 H new ATOM 1349 N MET A 88 8.149 4.787 3.909 1.00 0.00 N ATOM 1350 CA MET A 88 9.250 5.504 3.278 1.00 0.00 C ATOM 1351 C MET A 88 10.134 4.551 2.479 1.00 0.00 C ATOM 1352 O MET A 88 10.675 3.587 3.024 1.00 0.00 O ATOM 1353 CB MET A 88 10.087 6.229 4.334 1.00 0.00 C ATOM 1354 CG MET A 88 9.273 7.159 5.219 1.00 0.00 C ATOM 1355 SD MET A 88 8.907 8.734 4.421 1.00 0.00 S ATOM 1356 CE MET A 88 10.559 9.385 4.182 1.00 0.00 C ATOM 0 H MET A 88 8.270 4.622 4.908 1.00 0.00 H new ATOM 0 HA MET A 88 8.826 6.238 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.587 5.490 4.960 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.867 6.805 3.836 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.339 6.669 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.819 7.343 6.144 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.529 10.474 4.215 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.213 9.016 4.971 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.941 9.062 3.213 1.00 0.00 H new ATOM 1366 N LEU A 89 10.276 4.825 1.187 1.00 0.00 N ATOM 1367 CA LEU A 89 11.094 3.991 0.314 1.00 0.00 C ATOM 1368 C LEU A 89 12.578 4.276 0.522 1.00 0.00 C ATOM 1369 O LEU A 89 12.971 5.411 0.794 1.00 0.00 O ATOM 1370 CB LEU A 89 10.718 4.229 -1.150 1.00 0.00 C ATOM 1371 CG LEU A 89 9.250 3.998 -1.511 1.00 0.00 C ATOM 1372 CD1 LEU A 89 9.001 4.336 -2.973 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.848 2.560 -1.219 1.00 0.00 C ATOM 0 H LEU A 89 9.835 5.618 0.721 1.00 0.00 H new ATOM 0 HA LEU A 89 10.904 2.948 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.978 5.255 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.332 3.578 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 89 8.637 4.657 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.951 4.166 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.249 5.382 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.624 3.703 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.800 2.415 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.467 1.883 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.988 2.351 -0.158 1.00 0.00 H new