USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 56 LYS NZ :NH3+ 151:sc= 0.728 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 96:sc= 1.67 USER MOD Single : A 6 THR OG1 : rot 26:sc= 0.261 USER MOD Single : A 8 GLN : amide:sc= 0.41 X(o=0.41,f=-0.056) USER MOD Single : A 15 GLN : amide:sc= 0.663 K(o=0.66,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0824) USER MOD Single : A 19 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 29 TYR OH : rot 0:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -26:sc= 0.242 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 6:sc= 0.797 USER MOD Single : A 75 TYR OH : rot 56:sc= 0.167 USER MOD Single : A 80 ASN : amide:sc=-0.00102 K(o=-0.001,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.205 -6.147 1.684 1.00 0.00 N ATOM 83 CA THR A 6 9.908 -6.864 2.919 1.00 0.00 C ATOM 84 C THR A 6 10.996 -7.901 3.173 1.00 0.00 C ATOM 85 O THR A 6 11.867 -8.092 2.327 1.00 0.00 O ATOM 86 CB THR A 6 8.517 -7.507 2.794 1.00 0.00 C ATOM 87 OG1 THR A 6 7.579 -6.527 2.398 1.00 0.00 O ATOM 88 CG2 THR A 6 8.031 -8.108 4.109 1.00 0.00 C ATOM 0 HA THR A 6 9.894 -6.185 3.771 1.00 0.00 H new ATOM 0 HB THR A 6 8.603 -8.305 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.040 -5.810 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.044 -8.549 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.729 -8.879 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.972 -7.326 4.867 1.00 0.00 H new ATOM 96 N ASP A 7 10.964 -8.572 4.327 1.00 0.00 N ATOM 97 CA ASP A 7 11.970 -9.555 4.708 1.00 0.00 C ATOM 98 C ASP A 7 12.133 -10.659 3.662 1.00 0.00 C ATOM 99 O ASP A 7 13.142 -11.359 3.654 1.00 0.00 O ATOM 100 CB ASP A 7 11.590 -10.158 6.061 1.00 0.00 C ATOM 101 CG ASP A 7 10.232 -10.858 6.022 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.179 -11.998 5.508 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.255 -10.247 6.509 1.00 0.00 O ATOM 0 H ASP A 7 10.232 -8.444 5.026 1.00 0.00 H new ATOM 0 HA ASP A 7 12.931 -9.045 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.356 -10.871 6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.569 -9.371 6.814 1.00 0.00 H new ATOM 108 N GLN A 8 11.155 -10.824 2.769 1.00 0.00 N ATOM 109 CA GLN A 8 11.249 -11.807 1.702 1.00 0.00 C ATOM 110 C GLN A 8 12.371 -11.426 0.736 1.00 0.00 C ATOM 111 O GLN A 8 13.245 -12.238 0.443 1.00 0.00 O ATOM 112 CB GLN A 8 9.902 -11.868 0.970 1.00 0.00 C ATOM 113 CG GLN A 8 9.952 -12.795 -0.245 1.00 0.00 C ATOM 114 CD GLN A 8 10.288 -14.233 0.138 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.397 -15.049 0.359 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.575 -14.559 0.227 1.00 0.00 N ATOM 0 H GLN A 8 10.289 -10.285 2.769 1.00 0.00 H new ATOM 0 HA GLN A 8 11.480 -12.788 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.131 -12.214 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.618 -10.866 0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.990 -12.773 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.696 -12.426 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.293 -13.859 0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.844 -15.509 0.485 1.00 0.00 H new ATOM 125 N VAL A 9 12.342 -10.188 0.242 1.00 0.00 N ATOM 126 CA VAL A 9 13.309 -9.708 -0.736 1.00 0.00 C ATOM 127 C VAL A 9 14.569 -9.195 -0.052 1.00 0.00 C ATOM 128 O VAL A 9 15.644 -9.204 -0.648 1.00 0.00 O ATOM 129 CB VAL A 9 12.648 -8.642 -1.620 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.944 -7.576 -0.786 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.664 -7.951 -2.536 1.00 0.00 C ATOM 0 H VAL A 9 11.646 -9.492 0.511 1.00 0.00 H new ATOM 0 HA VAL A 9 13.623 -10.533 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 9 11.914 -9.170 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.488 -6.839 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.171 -8.043 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.669 -7.083 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.155 -7.204 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.429 -7.466 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.131 -8.692 -3.185 1.00 0.00 H new ATOM 141 N LEU A 10 14.461 -8.747 1.204 1.00 0.00 N ATOM 142 CA LEU A 10 15.620 -8.284 1.949 1.00 0.00 C ATOM 143 C LEU A 10 16.529 -9.453 2.319 1.00 0.00 C ATOM 144 O LEU A 10 17.733 -9.254 2.465 1.00 0.00 O ATOM 145 CB LEU A 10 15.157 -7.535 3.201 1.00 0.00 C ATOM 146 CG LEU A 10 15.101 -6.022 2.970 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.211 -5.637 1.795 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.570 -5.333 4.226 1.00 0.00 C ATOM 0 H LEU A 10 13.582 -8.698 1.718 1.00 0.00 H new ATOM 0 HA LEU A 10 16.197 -7.604 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.171 -7.894 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.835 -7.752 4.026 1.00 0.00 H new ATOM 0 HG LEU A 10 16.117 -5.700 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.210 -4.553 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.591 -6.099 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.194 -5.983 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.530 -4.256 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.569 -5.703 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.231 -5.547 5.066 1.00 0.00 H new ATOM 160 N VAL A 11 15.989 -10.665 2.474 1.00 0.00 N ATOM 161 CA VAL A 11 16.829 -11.824 2.757 1.00 0.00 C ATOM 162 C VAL A 11 17.434 -12.361 1.463 1.00 0.00 C ATOM 163 O VAL A 11 18.518 -12.939 1.480 1.00 0.00 O ATOM 164 CB VAL A 11 16.038 -12.895 3.514 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.848 -14.187 3.627 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.750 -12.412 4.936 1.00 0.00 C ATOM 0 H VAL A 11 14.991 -10.864 2.409 1.00 0.00 H new ATOM 0 HA VAL A 11 17.652 -11.520 3.405 1.00 0.00 H new ATOM 0 HB VAL A 11 15.114 -13.078 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.268 -14.934 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.079 -14.560 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.775 -13.989 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.187 -13.176 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.690 -12.224 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.167 -11.492 4.897 1.00 0.00 H new ATOM 176 N GLU A 12 16.753 -12.180 0.329 1.00 0.00 N ATOM 177 CA GLU A 12 17.316 -12.587 -0.948 1.00 0.00 C ATOM 178 C GLU A 12 18.455 -11.655 -1.350 1.00 0.00 C ATOM 179 O GLU A 12 19.448 -12.095 -1.926 1.00 0.00 O ATOM 180 CB GLU A 12 16.228 -12.561 -2.019 1.00 0.00 C ATOM 181 CG GLU A 12 15.237 -13.710 -1.823 1.00 0.00 C ATOM 182 CD GLU A 12 14.173 -13.712 -2.915 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.416 -14.361 -3.958 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.124 -13.063 -2.702 1.00 0.00 O ATOM 0 H GLU A 12 15.825 -11.760 0.274 1.00 0.00 H new ATOM 0 HA GLU A 12 17.710 -13.599 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.698 -11.609 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.683 -12.633 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.771 -14.660 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.760 -13.620 -0.847 1.00 0.00 H new ATOM 191 N ARG A 13 18.319 -10.362 -1.048 1.00 0.00 N ATOM 192 CA ARG A 13 19.289 -9.363 -1.458 1.00 0.00 C ATOM 193 C ARG A 13 20.599 -9.494 -0.682 1.00 0.00 C ATOM 194 O ARG A 13 21.668 -9.272 -1.249 1.00 0.00 O ATOM 195 CB ARG A 13 18.651 -7.979 -1.295 1.00 0.00 C ATOM 196 CG ARG A 13 19.608 -6.899 -1.781 1.00 0.00 C ATOM 197 CD ARG A 13 18.871 -5.574 -1.974 1.00 0.00 C ATOM 198 NE ARG A 13 19.747 -4.592 -2.619 1.00 0.00 N ATOM 199 CZ ARG A 13 19.370 -3.363 -2.968 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.145 -2.923 -2.702 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.236 -2.566 -3.590 1.00 0.00 N ATOM 0 H ARG A 13 17.535 -9.986 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 13 19.554 -9.514 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.720 -7.931 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.399 -7.808 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.416 -6.770 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.065 -7.207 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.980 -5.731 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.535 -5.193 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 13 20.709 -4.868 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.478 -3.529 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.871 -1.979 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.178 -2.898 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.957 -1.623 -3.861 1.00 0.00 H new ATOM 215 N VAL A 14 20.536 -9.855 0.601 1.00 0.00 N ATOM 216 CA VAL A 14 21.747 -10.054 1.395 1.00 0.00 C ATOM 217 C VAL A 14 22.462 -11.340 0.987 1.00 0.00 C ATOM 218 O VAL A 14 23.673 -11.454 1.179 1.00 0.00 O ATOM 219 CB VAL A 14 21.415 -10.061 2.887 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.786 -8.728 3.278 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.447 -11.179 3.252 1.00 0.00 C ATOM 0 H VAL A 14 19.666 -10.014 1.108 1.00 0.00 H new ATOM 0 HA VAL A 14 22.423 -9.222 1.201 1.00 0.00 H new ATOM 0 HB VAL A 14 22.348 -10.224 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.550 -8.735 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.486 -7.920 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.872 -8.575 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.239 -11.146 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.517 -11.051 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.891 -12.142 2.998 1.00 0.00 H new ATOM 231 N GLN A 15 21.725 -12.306 0.428 1.00 0.00 N ATOM 232 CA GLN A 15 22.316 -13.532 -0.086 1.00 0.00 C ATOM 233 C GLN A 15 22.932 -13.293 -1.465 1.00 0.00 C ATOM 234 O GLN A 15 23.711 -14.117 -1.947 1.00 0.00 O ATOM 235 CB GLN A 15 21.244 -14.624 -0.150 1.00 0.00 C ATOM 236 CG GLN A 15 20.817 -15.056 1.257 1.00 0.00 C ATOM 237 CD GLN A 15 19.667 -16.059 1.215 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.051 -16.276 0.174 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.361 -16.682 2.348 1.00 0.00 N ATOM 0 H GLN A 15 20.712 -12.255 0.323 1.00 0.00 H new ATOM 0 HA GLN A 15 23.113 -13.856 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.378 -14.257 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.628 -15.484 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.667 -15.499 1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.515 -14.180 1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.889 -16.483 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.598 -17.359 2.368 1.00 0.00 H new ATOM 248 N LYS A 16 22.590 -12.167 -2.106 1.00 0.00 N ATOM 249 CA LYS A 16 23.131 -11.772 -3.397 1.00 0.00 C ATOM 250 C LYS A 16 24.360 -10.868 -3.256 1.00 0.00 C ATOM 251 O LYS A 16 24.898 -10.401 -4.259 1.00 0.00 O ATOM 252 CB LYS A 16 22.021 -11.135 -4.234 1.00 0.00 C ATOM 253 CG LYS A 16 21.030 -12.225 -4.646 1.00 0.00 C ATOM 254 CD LYS A 16 19.767 -11.601 -5.234 1.00 0.00 C ATOM 255 CE LYS A 16 18.712 -12.683 -5.460 1.00 0.00 C ATOM 256 NZ LYS A 16 19.140 -13.653 -6.489 1.00 0.00 N ATOM 0 H LYS A 16 21.918 -11.499 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 16 23.488 -12.660 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.513 -10.360 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.442 -10.654 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.491 -12.887 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.772 -12.837 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.379 -10.838 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.000 -11.105 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.520 -13.206 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.774 -12.219 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.350 -14.291 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.429 -13.143 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.942 -14.209 -6.130 1.00 0.00 H new ATOM 270 N GLY A 17 24.808 -10.619 -2.018 1.00 0.00 N ATOM 271 CA GLY A 17 26.053 -9.909 -1.757 1.00 0.00 C ATOM 272 C GLY A 17 25.848 -8.478 -1.266 1.00 0.00 C ATOM 273 O GLY A 17 26.827 -7.781 -0.999 1.00 0.00 O ATOM 0 H GLY A 17 24.313 -10.907 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.627 -10.461 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.649 -9.890 -2.670 1.00 0.00 H new ATOM 277 N ASP A 18 24.594 -8.029 -1.138 1.00 0.00 N ATOM 278 CA ASP A 18 24.296 -6.693 -0.645 1.00 0.00 C ATOM 279 C ASP A 18 24.062 -6.743 0.863 1.00 0.00 C ATOM 280 O ASP A 18 22.924 -6.823 1.325 1.00 0.00 O ATOM 281 CB ASP A 18 23.073 -6.143 -1.388 1.00 0.00 C ATOM 282 CG ASP A 18 23.410 -5.514 -2.741 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.515 -5.778 -3.263 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.540 -4.766 -3.239 1.00 0.00 O ATOM 0 H ASP A 18 23.769 -8.581 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 18 25.137 -6.025 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.357 -6.951 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.583 -5.397 -0.762 1.00 0.00 H new ATOM 289 N GLN A 19 25.147 -6.695 1.641 1.00 0.00 N ATOM 290 CA GLN A 19 25.070 -6.731 3.097 1.00 0.00 C ATOM 291 C GLN A 19 24.390 -5.468 3.628 1.00 0.00 C ATOM 292 O GLN A 19 23.895 -5.450 4.753 1.00 0.00 O ATOM 293 CB GLN A 19 26.493 -6.907 3.638 1.00 0.00 C ATOM 294 CG GLN A 19 26.524 -7.108 5.157 1.00 0.00 C ATOM 295 CD GLN A 19 26.498 -5.803 5.947 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.677 -4.721 5.393 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.276 -5.893 7.254 1.00 0.00 N ATOM 0 H GLN A 19 26.098 -6.630 1.277 1.00 0.00 H new ATOM 0 HA GLN A 19 24.459 -7.568 3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.959 -7.764 3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.088 -6.031 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.670 -7.718 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.422 -7.666 5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.131 -6.806 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.251 -5.049 7.826 1.00 0.00 H new ATOM 306 N LYS A 20 24.359 -4.407 2.815 1.00 0.00 N ATOM 307 CA LYS A 20 23.692 -3.160 3.157 1.00 0.00 C ATOM 308 C LYS A 20 22.193 -3.373 3.352 1.00 0.00 C ATOM 309 O LYS A 20 21.547 -2.582 4.035 1.00 0.00 O ATOM 310 CB LYS A 20 23.963 -2.145 2.042 1.00 0.00 C ATOM 311 CG LYS A 20 23.394 -2.615 0.699 1.00 0.00 C ATOM 312 CD LYS A 20 23.870 -1.695 -0.421 1.00 0.00 C ATOM 313 CE LYS A 20 23.312 -2.182 -1.756 1.00 0.00 C ATOM 314 NZ LYS A 20 23.804 -1.344 -2.865 1.00 0.00 N ATOM 0 H LYS A 20 24.801 -4.396 1.896 1.00 0.00 H new ATOM 0 HA LYS A 20 24.084 -2.782 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.521 -1.185 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.037 -1.987 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.711 -3.639 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.305 -2.620 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.543 -0.673 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.959 -1.680 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.604 -3.219 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.223 -2.157 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.413 -1.692 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.504 -0.359 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.842 -1.388 -2.899 1.00 0.00 H new ATOM 328 N ALA A 21 21.632 -4.433 2.761 1.00 0.00 N ATOM 329 CA ALA A 21 20.224 -4.738 2.917 1.00 0.00 C ATOM 330 C ALA A 21 19.978 -5.480 4.233 1.00 0.00 C ATOM 331 O ALA A 21 18.846 -5.513 4.711 1.00 0.00 O ATOM 332 CB ALA A 21 19.732 -5.550 1.722 1.00 0.00 C ATOM 0 H ALA A 21 22.141 -5.090 2.170 1.00 0.00 H new ATOM 0 HA ALA A 21 19.659 -3.806 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.673 -5.775 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.875 -4.975 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.296 -6.481 1.658 1.00 0.00 H new ATOM 338 N PHE A 22 21.025 -6.070 4.823 1.00 0.00 N ATOM 339 CA PHE A 22 20.883 -6.731 6.109 1.00 0.00 C ATOM 340 C PHE A 22 20.842 -5.675 7.206 1.00 0.00 C ATOM 341 O PHE A 22 20.113 -5.816 8.182 1.00 0.00 O ATOM 342 CB PHE A 22 22.036 -7.707 6.352 1.00 0.00 C ATOM 343 CG PHE A 22 21.859 -8.475 7.641 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.829 -9.425 7.748 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.700 -8.230 8.735 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.640 -10.124 8.947 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.507 -8.924 9.935 1.00 0.00 C ATOM 348 CZ PHE A 22 21.481 -9.871 10.041 1.00 0.00 C ATOM 0 H PHE A 22 21.966 -6.099 4.430 1.00 0.00 H new ATOM 0 HA PHE A 22 19.956 -7.305 6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.102 -8.406 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.977 -7.158 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.182 -9.616 6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.497 -7.506 8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.849 -10.855 9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.150 -8.729 10.780 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.337 -10.408 10.967 1.00 0.00 H new ATOM 358 N ASN A 23 21.621 -4.603 7.047 1.00 0.00 N ATOM 359 CA ASN A 23 21.635 -3.511 8.004 1.00 0.00 C ATOM 360 C ASN A 23 20.250 -2.876 8.082 1.00 0.00 C ATOM 361 O ASN A 23 19.772 -2.543 9.163 1.00 0.00 O ATOM 362 CB ASN A 23 22.677 -2.500 7.531 1.00 0.00 C ATOM 363 CG ASN A 23 22.544 -1.163 8.240 1.00 0.00 C ATOM 364 OD1 ASN A 23 23.021 -0.986 9.359 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.888 -0.209 7.586 1.00 0.00 N ATOM 0 H ASN A 23 22.252 -4.474 6.256 1.00 0.00 H new ATOM 0 HA ASN A 23 21.891 -3.866 9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.675 -2.903 7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.574 -2.351 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.766 0.710 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.507 -0.396 6.658 1.00 0.00 H new ATOM 372 N LEU A 24 19.603 -2.711 6.928 1.00 0.00 N ATOM 373 CA LEU A 24 18.266 -2.147 6.854 1.00 0.00 C ATOM 374 C LEU A 24 17.202 -3.168 7.269 1.00 0.00 C ATOM 375 O LEU A 24 16.078 -2.789 7.589 1.00 0.00 O ATOM 376 CB LEU A 24 18.003 -1.643 5.435 1.00 0.00 C ATOM 377 CG LEU A 24 18.988 -0.553 5.013 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.783 -0.241 3.536 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.778 0.725 5.825 1.00 0.00 C ATOM 0 H LEU A 24 19.996 -2.966 6.022 1.00 0.00 H new ATOM 0 HA LEU A 24 18.204 -1.312 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.068 -2.478 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.986 -1.255 5.373 1.00 0.00 H new ATOM 0 HG LEU A 24 20.000 -0.915 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.482 0.536 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.957 -1.141 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.762 0.106 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.493 1.482 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.764 1.093 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.927 0.512 6.884 1.00 0.00 H new ATOM 391 N LEU A 25 17.545 -4.458 7.261 1.00 0.00 N ATOM 392 CA LEU A 25 16.631 -5.505 7.685 1.00 0.00 C ATOM 393 C LEU A 25 16.622 -5.626 9.206 1.00 0.00 C ATOM 394 O LEU A 25 15.556 -5.774 9.803 1.00 0.00 O ATOM 395 CB LEU A 25 17.044 -6.817 7.009 1.00 0.00 C ATOM 396 CG LEU A 25 16.206 -8.023 7.439 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.742 -7.860 7.037 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.764 -9.268 6.754 1.00 0.00 C ATOM 0 H LEU A 25 18.459 -4.798 6.962 1.00 0.00 H new ATOM 0 HA LEU A 25 15.613 -5.260 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.966 -6.699 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.092 -7.016 7.233 1.00 0.00 H new ATOM 0 HG LEU A 25 16.256 -8.110 8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.177 -8.735 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.332 -6.969 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.671 -7.760 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.179 -10.139 7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.710 -9.144 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.803 -9.412 7.051 1.00 0.00 H new ATOM 410 N VAL A 26 17.789 -5.570 9.856 1.00 0.00 N ATOM 411 CA VAL A 26 17.816 -5.767 11.297 1.00 0.00 C ATOM 412 C VAL A 26 17.223 -4.581 12.042 1.00 0.00 C ATOM 413 O VAL A 26 16.767 -4.771 13.164 1.00 0.00 O ATOM 414 CB VAL A 26 19.218 -6.076 11.822 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.821 -7.285 11.111 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.155 -4.876 11.721 1.00 0.00 C ATOM 0 H VAL A 26 18.695 -5.396 9.420 1.00 0.00 H new ATOM 0 HA VAL A 26 17.193 -6.640 11.490 1.00 0.00 H new ATOM 0 HB VAL A 26 19.107 -6.314 12.880 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.818 -7.480 11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.188 -8.157 11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.888 -7.083 10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.137 -5.148 12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.246 -4.572 10.678 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.752 -4.049 12.306 1.00 0.00 H new ATOM 426 N VAL A 27 17.209 -3.371 11.469 1.00 0.00 N ATOM 427 CA VAL A 27 16.624 -2.230 12.170 1.00 0.00 C ATOM 428 C VAL A 27 15.116 -2.392 12.314 1.00 0.00 C ATOM 429 O VAL A 27 14.525 -1.842 13.243 1.00 0.00 O ATOM 430 CB VAL A 27 16.950 -0.908 11.466 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.444 -0.621 11.534 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.541 -0.927 9.999 1.00 0.00 C ATOM 0 H VAL A 27 17.587 -3.163 10.545 1.00 0.00 H new ATOM 0 HA VAL A 27 17.068 -2.201 13.165 1.00 0.00 H new ATOM 0 HB VAL A 27 16.386 -0.133 11.985 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.657 0.321 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.754 -0.552 12.577 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.992 -1.426 11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.790 0.029 9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 27 17.072 -1.727 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.467 -1.097 9.923 1.00 0.00 H new ATOM 442 N ARG A 28 14.483 -3.143 11.403 1.00 0.00 N ATOM 443 CA ARG A 28 13.052 -3.402 11.493 1.00 0.00 C ATOM 444 C ARG A 28 12.780 -4.323 12.674 1.00 0.00 C ATOM 445 O ARG A 28 11.730 -4.241 13.311 1.00 0.00 O ATOM 446 CB ARG A 28 12.563 -4.066 10.202 1.00 0.00 C ATOM 447 CG ARG A 28 13.088 -3.353 8.953 1.00 0.00 C ATOM 448 CD ARG A 28 12.515 -3.986 7.683 1.00 0.00 C ATOM 449 NE ARG A 28 11.079 -3.727 7.538 1.00 0.00 N ATOM 450 CZ ARG A 28 10.433 -3.699 6.368 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.077 -3.902 5.221 1.00 0.00 N ATOM 452 NH2 ARG A 28 9.126 -3.462 6.339 1.00 0.00 N ATOM 0 H ARG A 28 14.942 -3.577 10.602 1.00 0.00 H new ATOM 0 HA ARG A 28 12.522 -2.460 11.634 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.884 -5.107 10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.473 -4.068 10.186 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.819 -2.297 8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.177 -3.404 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.043 -3.595 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.689 -5.062 7.704 1.00 0.00 H new ATOM 0 HE ARG A 28 10.537 -3.557 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.081 -4.083 5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.567 -3.877 4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.617 -3.302 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.631 -3.440 5.447 1.00 0.00 H new ATOM 466 N TYR A 29 13.741 -5.202 12.961 1.00 0.00 N ATOM 467 CA TYR A 29 13.633 -6.154 14.052 1.00 0.00 C ATOM 468 C TYR A 29 14.377 -5.691 15.302 1.00 0.00 C ATOM 469 O TYR A 29 14.244 -6.302 16.353 1.00 0.00 O ATOM 470 CB TYR A 29 14.129 -7.514 13.569 1.00 0.00 C ATOM 471 CG TYR A 29 13.214 -8.121 12.535 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.240 -7.676 11.206 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.319 -9.127 12.918 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.357 -8.211 10.258 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.436 -9.676 11.977 1.00 0.00 C ATOM 476 CZ TYR A 29 11.444 -9.216 10.644 1.00 0.00 C ATOM 477 OH TYR A 29 10.571 -9.739 9.738 1.00 0.00 O ATOM 0 H TYR A 29 14.615 -5.269 12.439 1.00 0.00 H new ATOM 0 HA TYR A 29 12.586 -6.234 14.346 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.129 -7.405 13.148 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.213 -8.191 14.419 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.946 -6.915 10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.309 -9.480 13.938 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.375 -7.856 9.238 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.748 -10.453 12.274 1.00 0.00 H new ATOM 0 HH TYR A 29 10.706 -9.309 8.868 1.00 0.00 H new ATOM 487 N GLN A 30 15.162 -4.618 15.221 1.00 0.00 N ATOM 488 CA GLN A 30 15.973 -4.167 16.342 1.00 0.00 C ATOM 489 C GLN A 30 15.090 -3.755 17.519 1.00 0.00 C ATOM 490 O GLN A 30 15.498 -3.880 18.673 1.00 0.00 O ATOM 491 CB GLN A 30 16.855 -3.025 15.837 1.00 0.00 C ATOM 492 CG GLN A 30 17.927 -2.592 16.837 1.00 0.00 C ATOM 493 CD GLN A 30 18.840 -1.563 16.183 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.912 -0.417 16.613 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.543 -1.972 15.132 1.00 0.00 N ATOM 0 H GLN A 30 15.251 -4.044 14.383 1.00 0.00 H new ATOM 0 HA GLN A 30 16.607 -4.970 16.717 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.338 -3.333 14.910 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.225 -2.168 15.599 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.461 -2.168 17.726 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.507 -3.456 17.162 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.456 -2.934 14.803 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.169 -1.324 14.654 1.00 0.00 H new ATOM 504 N HIS A 31 13.878 -3.269 17.233 1.00 0.00 N ATOM 505 CA HIS A 31 12.923 -2.923 18.278 1.00 0.00 C ATOM 506 C HIS A 31 12.083 -4.130 18.698 1.00 0.00 C ATOM 507 O HIS A 31 11.683 -4.230 19.857 1.00 0.00 O ATOM 508 CB HIS A 31 12.031 -1.789 17.770 1.00 0.00 C ATOM 509 CG HIS A 31 11.036 -1.319 18.798 1.00 0.00 C ATOM 510 ND1 HIS A 31 11.328 -0.515 19.902 1.00 0.00 N ATOM 511 CD2 HIS A 31 9.702 -1.609 18.795 1.00 0.00 C ATOM 512 CE1 HIS A 31 10.160 -0.354 20.544 1.00 0.00 C ATOM 513 NE2 HIS A 31 9.166 -0.994 19.902 1.00 0.00 N ATOM 0 H HIS A 31 13.540 -3.108 16.284 1.00 0.00 H new ATOM 0 HA HIS A 31 13.468 -2.597 19.164 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.657 -0.949 17.467 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.496 -2.125 16.881 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.172 -2.204 18.066 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.035 0.214 21.454 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.187 -1.019 20.186 1.00 0.00 H new ATOM 521 N LYS A 32 11.808 -5.052 17.768 1.00 0.00 N ATOM 522 CA LYS A 32 10.939 -6.190 18.045 1.00 0.00 C ATOM 523 C LYS A 32 11.684 -7.310 18.767 1.00 0.00 C ATOM 524 O LYS A 32 11.116 -7.994 19.621 1.00 0.00 O ATOM 525 CB LYS A 32 10.367 -6.712 16.727 1.00 0.00 C ATOM 526 CG LYS A 32 9.575 -5.627 15.992 1.00 0.00 C ATOM 527 CD LYS A 32 9.024 -6.198 14.687 1.00 0.00 C ATOM 528 CE LYS A 32 8.249 -5.112 13.942 1.00 0.00 C ATOM 529 NZ LYS A 32 7.690 -5.628 12.680 1.00 0.00 N ATOM 0 H LYS A 32 12.178 -5.028 16.818 1.00 0.00 H new ATOM 0 HA LYS A 32 10.135 -5.856 18.701 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.179 -7.066 16.091 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.720 -7.567 16.923 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.758 -5.270 16.619 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.216 -4.770 15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.840 -6.568 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.372 -7.047 14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.443 -4.738 14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.908 -4.269 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.169 -4.870 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.462 -5.963 12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.043 -6.417 12.884 1.00 0.00 H new ATOM 543 N VAL A 33 12.958 -7.502 18.432 1.00 0.00 N ATOM 544 CA VAL A 33 13.800 -8.518 19.035 1.00 0.00 C ATOM 545 C VAL A 33 14.146 -8.101 20.457 1.00 0.00 C ATOM 546 O VAL A 33 14.190 -8.934 21.357 1.00 0.00 O ATOM 547 CB VAL A 33 15.081 -8.649 18.212 1.00 0.00 C ATOM 548 CG1 VAL A 33 15.992 -9.716 18.769 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.820 -9.162 16.808 1.00 0.00 C ATOM 0 H VAL A 33 13.436 -6.945 17.723 1.00 0.00 H new ATOM 0 HA VAL A 33 13.278 -9.474 19.056 1.00 0.00 H new ATOM 0 HB VAL A 33 15.506 -7.646 18.231 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.893 -9.781 18.158 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.266 -9.462 19.793 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.477 -10.676 18.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.763 -9.236 16.267 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.354 -10.146 16.861 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.156 -8.473 16.287 1.00 0.00 H new ATOM 559 N ALA A 34 14.387 -6.805 20.656 1.00 0.00 N ATOM 560 CA ALA A 34 14.693 -6.277 21.973 1.00 0.00 C ATOM 561 C ALA A 34 13.506 -6.439 22.923 1.00 0.00 C ATOM 562 O ALA A 34 13.692 -6.484 24.136 1.00 0.00 O ATOM 563 CB ALA A 34 15.064 -4.800 21.832 1.00 0.00 C ATOM 0 H ALA A 34 14.375 -6.104 19.915 1.00 0.00 H new ATOM 0 HA ALA A 34 15.529 -6.834 22.397 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.297 -4.388 22.814 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.934 -4.704 21.182 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.226 -4.254 21.399 1.00 0.00 H new ATOM 569 N SER A 35 12.285 -6.530 22.383 1.00 0.00 N ATOM 570 CA SER A 35 11.091 -6.671 23.203 1.00 0.00 C ATOM 571 C SER A 35 10.987 -8.080 23.785 1.00 0.00 C ATOM 572 O SER A 35 10.709 -8.240 24.974 1.00 0.00 O ATOM 573 CB SER A 35 9.861 -6.364 22.350 1.00 0.00 C ATOM 574 OG SER A 35 8.702 -6.362 23.160 1.00 0.00 O ATOM 0 H SER A 35 12.105 -6.508 21.379 1.00 0.00 H new ATOM 0 HA SER A 35 11.150 -5.970 24.035 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.977 -5.395 21.864 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.761 -7.107 21.559 1.00 0.00 H new ATOM 0 HG SER A 35 7.917 -6.163 22.608 1.00 0.00 H new ATOM 580 N LEU A 36 11.213 -9.106 22.957 1.00 0.00 N ATOM 581 CA LEU A 36 11.093 -10.480 23.420 1.00 0.00 C ATOM 582 C LEU A 36 12.347 -10.940 24.151 1.00 0.00 C ATOM 583 O LEU A 36 12.260 -11.802 25.023 1.00 0.00 O ATOM 584 CB LEU A 36 10.725 -11.402 22.252 1.00 0.00 C ATOM 585 CG LEU A 36 11.862 -11.650 21.254 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.761 -12.814 21.678 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.264 -12.028 19.906 1.00 0.00 C ATOM 0 H LEU A 36 11.476 -9.007 21.977 1.00 0.00 H new ATOM 0 HA LEU A 36 10.284 -10.530 24.149 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.395 -12.360 22.653 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.878 -10.971 21.718 1.00 0.00 H new ATOM 0 HG LEU A 36 12.453 -10.735 21.208 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.551 -12.951 20.940 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.205 -12.596 22.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.167 -13.726 21.747 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.066 -12.206 19.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.666 -12.933 20.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.631 -11.216 19.548 1.00 0.00 H new ATOM 599 N VAL A 37 13.512 -10.379 23.811 1.00 0.00 N ATOM 600 CA VAL A 37 14.757 -10.798 24.444 1.00 0.00 C ATOM 601 C VAL A 37 14.979 -10.081 25.775 1.00 0.00 C ATOM 602 O VAL A 37 15.799 -10.515 26.578 1.00 0.00 O ATOM 603 CB VAL A 37 15.914 -10.648 23.452 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.441 -9.222 23.398 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.069 -11.572 23.825 1.00 0.00 C ATOM 0 H VAL A 37 13.614 -9.644 23.111 1.00 0.00 H new ATOM 0 HA VAL A 37 14.699 -11.855 24.705 1.00 0.00 H new ATOM 0 HB VAL A 37 15.516 -10.915 22.473 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.260 -9.164 22.681 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.640 -8.550 23.089 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.800 -8.929 24.385 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.880 -11.449 23.107 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.427 -11.322 24.823 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.726 -12.607 23.811 1.00 0.00 H new ATOM 615 N SER A 38 14.250 -8.988 26.029 1.00 0.00 N ATOM 616 CA SER A 38 14.287 -8.316 27.326 1.00 0.00 C ATOM 617 C SER A 38 13.631 -9.202 28.388 1.00 0.00 C ATOM 618 O SER A 38 13.740 -8.935 29.584 1.00 0.00 O ATOM 619 CB SER A 38 13.571 -6.971 27.224 1.00 0.00 C ATOM 620 OG SER A 38 13.658 -6.271 28.448 1.00 0.00 O ATOM 0 H SER A 38 13.627 -8.552 25.349 1.00 0.00 H new ATOM 0 HA SER A 38 15.322 -8.139 27.618 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.014 -6.376 26.425 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.525 -7.128 26.961 1.00 0.00 H new ATOM 0 HG SER A 38 13.774 -6.909 29.182 1.00 0.00 H new ATOM 626 N ARG A 39 12.948 -10.265 27.947 1.00 0.00 N ATOM 627 CA ARG A 39 12.325 -11.238 28.834 1.00 0.00 C ATOM 628 C ARG A 39 13.313 -12.326 29.250 1.00 0.00 C ATOM 629 O ARG A 39 12.966 -13.180 30.066 1.00 0.00 O ATOM 630 CB ARG A 39 11.101 -11.842 28.143 1.00 0.00 C ATOM 631 CG ARG A 39 10.163 -10.749 27.624 1.00 0.00 C ATOM 632 CD ARG A 39 8.967 -11.378 26.910 1.00 0.00 C ATOM 633 NE ARG A 39 8.129 -10.346 26.289 1.00 0.00 N ATOM 634 CZ ARG A 39 7.021 -10.601 25.593 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.591 -11.848 25.427 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.333 -9.599 25.055 1.00 0.00 N ATOM 0 H ARG A 39 12.815 -10.470 26.957 1.00 0.00 H new ATOM 0 HA ARG A 39 12.008 -10.731 29.745 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.422 -12.473 27.314 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.565 -12.483 28.842 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.818 -10.132 28.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.701 -10.092 26.940 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.318 -12.075 26.149 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.375 -11.954 27.621 1.00 0.00 H new ATOM 0 HE ARG A 39 8.412 -9.372 26.397 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.111 -12.625 25.835 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.741 -12.028 24.892 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.653 -8.638 25.175 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.485 -9.791 24.522 1.00 0.00 H new ATOM 650 N TYR A 40 14.534 -12.308 28.697 1.00 0.00 N ATOM 651 CA TYR A 40 15.550 -13.313 28.983 1.00 0.00 C ATOM 652 C TYR A 40 16.842 -12.695 29.526 1.00 0.00 C ATOM 653 O TYR A 40 17.669 -13.412 30.086 1.00 0.00 O ATOM 654 CB TYR A 40 15.816 -14.136 27.721 1.00 0.00 C ATOM 655 CG TYR A 40 14.612 -14.917 27.242 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.319 -16.168 27.810 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.788 -14.395 26.234 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.197 -16.890 27.379 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.673 -15.119 25.791 1.00 0.00 C ATOM 660 CZ TYR A 40 12.367 -16.369 26.370 1.00 0.00 C ATOM 661 OH TYR A 40 11.276 -17.069 25.948 1.00 0.00 O ATOM 0 H TYR A 40 14.839 -11.592 28.038 1.00 0.00 H new ATOM 0 HA TYR A 40 15.172 -13.967 29.769 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.146 -13.468 26.925 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.634 -14.829 27.915 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.959 -16.574 28.580 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.013 -13.433 25.798 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.970 -17.848 27.823 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.048 -14.720 25.006 1.00 0.00 H new ATOM 0 HH TYR A 40 10.814 -16.563 25.247 1.00 0.00 H new ATOM 671 N VAL A 41 17.024 -11.379 29.367 1.00 0.00 N ATOM 672 CA VAL A 41 18.160 -10.644 29.924 1.00 0.00 C ATOM 673 C VAL A 41 17.696 -9.265 30.392 1.00 0.00 C ATOM 674 O VAL A 41 16.707 -8.746 29.877 1.00 0.00 O ATOM 675 CB VAL A 41 19.298 -10.501 28.901 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.064 -11.815 28.749 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.787 -10.057 27.536 1.00 0.00 C ATOM 0 H VAL A 41 16.378 -10.790 28.842 1.00 0.00 H new ATOM 0 HA VAL A 41 18.549 -11.209 30.772 1.00 0.00 H new ATOM 0 HB VAL A 41 19.967 -9.731 29.285 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.864 -11.688 28.020 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.491 -12.100 29.710 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.384 -12.596 28.409 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.625 -9.969 26.845 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.079 -10.793 27.156 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.291 -9.091 27.630 1.00 0.00 H new ATOM 687 N PRO A 42 18.394 -8.656 31.361 1.00 0.00 N ATOM 688 CA PRO A 42 18.058 -7.345 31.895 1.00 0.00 C ATOM 689 C PRO A 42 18.278 -6.256 30.850 1.00 0.00 C ATOM 690 O PRO A 42 18.956 -6.478 29.847 1.00 0.00 O ATOM 691 CB PRO A 42 18.973 -7.152 33.102 1.00 0.00 C ATOM 692 CG PRO A 42 20.195 -7.987 32.736 1.00 0.00 C ATOM 693 CD PRO A 42 19.573 -9.184 32.022 1.00 0.00 C ATOM 0 HA PRO A 42 17.007 -7.280 32.177 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.230 -6.103 33.251 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.506 -7.500 34.023 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.882 -7.440 32.090 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.760 -8.289 33.618 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.267 -9.619 31.303 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.310 -9.972 32.728 1.00 0.00 H new ATOM 701 N SER A 43 17.708 -5.073 31.088 1.00 0.00 N ATOM 702 CA SER A 43 17.754 -3.968 30.139 1.00 0.00 C ATOM 703 C SER A 43 19.168 -3.425 29.931 1.00 0.00 C ATOM 704 O SER A 43 19.387 -2.624 29.023 1.00 0.00 O ATOM 705 CB SER A 43 16.820 -2.859 30.621 1.00 0.00 C ATOM 706 OG SER A 43 17.235 -2.398 31.889 1.00 0.00 O ATOM 0 H SER A 43 17.202 -4.858 31.947 1.00 0.00 H new ATOM 0 HA SER A 43 17.425 -4.344 29.170 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.821 -2.035 29.907 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.797 -3.232 30.677 1.00 0.00 H new ATOM 0 HG SER A 43 16.633 -1.686 32.191 1.00 0.00 H new ATOM 712 N GLY A 44 20.131 -3.845 30.756 1.00 0.00 N ATOM 713 CA GLY A 44 21.516 -3.424 30.609 1.00 0.00 C ATOM 714 C GLY A 44 22.290 -4.329 29.655 1.00 0.00 C ATOM 715 O GLY A 44 23.338 -3.927 29.151 1.00 0.00 O ATOM 0 H GLY A 44 19.969 -4.481 31.537 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.546 -2.399 30.241 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.001 -3.426 31.585 1.00 0.00 H new ATOM 719 N ASP A 45 21.787 -5.541 29.404 1.00 0.00 N ATOM 720 CA ASP A 45 22.436 -6.503 28.522 1.00 0.00 C ATOM 721 C ASP A 45 21.573 -6.814 27.299 1.00 0.00 C ATOM 722 O ASP A 45 22.005 -7.536 26.401 1.00 0.00 O ATOM 723 CB ASP A 45 22.737 -7.776 29.311 1.00 0.00 C ATOM 724 CG ASP A 45 23.719 -7.516 30.453 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.786 -6.919 30.185 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.395 -7.919 31.591 1.00 0.00 O ATOM 0 H ASP A 45 20.915 -5.880 29.810 1.00 0.00 H new ATOM 0 HA ASP A 45 23.367 -6.072 28.154 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.809 -8.182 29.714 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.150 -8.530 28.641 1.00 0.00 H new ATOM 731 N VAL A 46 20.350 -6.275 27.253 1.00 0.00 N ATOM 732 CA VAL A 46 19.421 -6.567 26.174 1.00 0.00 C ATOM 733 C VAL A 46 19.867 -6.016 24.810 1.00 0.00 C ATOM 734 O VAL A 46 19.570 -6.655 23.804 1.00 0.00 O ATOM 735 CB VAL A 46 18.011 -6.107 26.563 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.812 -4.594 26.484 1.00 0.00 C ATOM 737 CG2 VAL A 46 16.976 -6.760 25.659 1.00 0.00 C ATOM 0 H VAL A 46 19.986 -5.633 27.957 1.00 0.00 H new ATOM 0 HA VAL A 46 19.409 -7.648 26.037 1.00 0.00 H new ATOM 0 HB VAL A 46 17.885 -6.409 27.603 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.791 -4.346 26.774 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.511 -4.099 27.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.992 -4.256 25.463 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.979 -6.425 25.946 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.169 -6.480 24.623 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.037 -7.844 25.759 1.00 0.00 H new ATOM 747 N PRO A 47 20.566 -4.869 24.704 1.00 0.00 N ATOM 748 CA PRO A 47 20.920 -4.331 23.397 1.00 0.00 C ATOM 749 C PRO A 47 22.110 -5.072 22.794 1.00 0.00 C ATOM 750 O PRO A 47 22.291 -5.067 21.578 1.00 0.00 O ATOM 751 CB PRO A 47 21.268 -2.870 23.658 1.00 0.00 C ATOM 752 CG PRO A 47 21.888 -2.920 25.054 1.00 0.00 C ATOM 753 CD PRO A 47 21.061 -3.994 25.760 1.00 0.00 C ATOM 0 HA PRO A 47 20.106 -4.441 22.681 1.00 0.00 H new ATOM 0 HB2 PRO A 47 21.967 -2.481 22.918 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.385 -2.231 23.629 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.945 -3.184 25.017 1.00 0.00 H new ATOM 0 HG3 PRO A 47 21.817 -1.958 25.561 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.668 -4.549 26.475 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.237 -3.550 26.318 1.00 0.00 H new ATOM 761 N ASP A 48 22.925 -5.714 23.634 1.00 0.00 N ATOM 762 CA ASP A 48 24.106 -6.424 23.167 1.00 0.00 C ATOM 763 C ASP A 48 23.730 -7.813 22.666 1.00 0.00 C ATOM 764 O ASP A 48 24.397 -8.358 21.786 1.00 0.00 O ATOM 765 CB ASP A 48 25.117 -6.511 24.310 1.00 0.00 C ATOM 766 CG ASP A 48 26.447 -7.078 23.826 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.135 -6.363 23.065 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.770 -8.220 24.223 1.00 0.00 O ATOM 0 H ASP A 48 22.783 -5.754 24.643 1.00 0.00 H new ATOM 0 HA ASP A 48 24.553 -5.883 22.333 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.274 -5.520 24.736 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.718 -7.141 25.105 1.00 0.00 H new ATOM 773 N VAL A 49 22.661 -8.390 23.218 1.00 0.00 N ATOM 774 CA VAL A 49 22.183 -9.695 22.794 1.00 0.00 C ATOM 775 C VAL A 49 21.409 -9.571 21.486 1.00 0.00 C ATOM 776 O VAL A 49 21.384 -10.513 20.698 1.00 0.00 O ATOM 777 CB VAL A 49 21.343 -10.319 23.910 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.716 -11.633 23.455 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.232 -10.625 25.118 1.00 0.00 C ATOM 0 H VAL A 49 22.111 -7.965 23.965 1.00 0.00 H new ATOM 0 HA VAL A 49 23.027 -10.358 22.604 1.00 0.00 H new ATOM 0 HB VAL A 49 20.560 -9.607 24.170 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.125 -12.055 24.268 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.072 -11.450 22.595 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.503 -12.334 23.177 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.629 -11.069 25.910 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.017 -11.322 24.825 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.684 -9.702 25.480 1.00 0.00 H new ATOM 789 N VAL A 50 20.780 -8.417 21.233 1.00 0.00 N ATOM 790 CA VAL A 50 20.144 -8.163 19.945 1.00 0.00 C ATOM 791 C VAL A 50 21.224 -8.019 18.880 1.00 0.00 C ATOM 792 O VAL A 50 21.040 -8.464 17.750 1.00 0.00 O ATOM 793 CB VAL A 50 19.293 -6.890 20.024 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.810 -6.457 18.641 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.055 -7.153 20.874 1.00 0.00 C ATOM 0 H VAL A 50 20.701 -7.651 21.902 1.00 0.00 H new ATOM 0 HA VAL A 50 19.490 -8.995 19.684 1.00 0.00 H new ATOM 0 HB VAL A 50 19.916 -6.108 20.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.210 -5.552 18.732 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.670 -6.259 18.001 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.205 -7.251 18.202 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.452 -6.247 20.929 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.468 -7.953 20.424 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.359 -7.447 21.878 1.00 0.00 H new ATOM 805 N GLN A 51 22.359 -7.405 19.229 1.00 0.00 N ATOM 806 CA GLN A 51 23.445 -7.232 18.279 1.00 0.00 C ATOM 807 C GLN A 51 24.113 -8.575 17.999 1.00 0.00 C ATOM 808 O GLN A 51 24.400 -8.884 16.846 1.00 0.00 O ATOM 809 CB GLN A 51 24.446 -6.216 18.831 1.00 0.00 C ATOM 810 CG GLN A 51 25.550 -5.945 17.805 1.00 0.00 C ATOM 811 CD GLN A 51 26.523 -4.867 18.277 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.398 -4.331 19.375 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.511 -4.542 17.449 1.00 0.00 N ATOM 0 H GLN A 51 22.542 -7.024 20.157 1.00 0.00 H new ATOM 0 HA GLN A 51 23.053 -6.852 17.335 1.00 0.00 H new ATOM 0 HB2 GLN A 51 23.933 -5.286 19.077 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.884 -6.592 19.755 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.098 -6.867 17.611 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.099 -5.638 16.861 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.590 -5.004 16.543 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.190 -3.831 17.720 1.00 0.00 H new ATOM 822 N GLU A 52 24.359 -9.384 19.033 1.00 0.00 N ATOM 823 CA GLU A 52 24.989 -10.680 18.834 1.00 0.00 C ATOM 824 C GLU A 52 24.042 -11.620 18.092 1.00 0.00 C ATOM 825 O GLU A 52 24.496 -12.523 17.391 1.00 0.00 O ATOM 826 CB GLU A 52 25.407 -11.259 20.185 1.00 0.00 C ATOM 827 CG GLU A 52 26.169 -12.574 19.997 1.00 0.00 C ATOM 828 CD GLU A 52 26.862 -13.000 21.287 1.00 0.00 C ATOM 829 OE1 GLU A 52 26.140 -13.266 22.275 1.00 0.00 O ATOM 830 OE2 GLU A 52 28.110 -13.057 21.280 1.00 0.00 O ATOM 0 H GLU A 52 24.133 -9.163 20.003 1.00 0.00 H new ATOM 0 HA GLU A 52 25.883 -10.561 18.221 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.034 -10.542 20.715 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.525 -11.429 20.802 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.479 -13.355 19.677 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.909 -12.458 19.205 1.00 0.00 H new ATOM 837 N ALA A 53 22.729 -11.414 18.236 1.00 0.00 N ATOM 838 CA ALA A 53 21.756 -12.211 17.516 1.00 0.00 C ATOM 839 C ALA A 53 21.759 -11.834 16.039 1.00 0.00 C ATOM 840 O ALA A 53 21.611 -12.709 15.193 1.00 0.00 O ATOM 841 CB ALA A 53 20.370 -12.019 18.132 1.00 0.00 C ATOM 0 H ALA A 53 22.326 -10.702 18.845 1.00 0.00 H new ATOM 0 HA ALA A 53 22.022 -13.265 17.595 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.643 -12.621 17.587 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.389 -12.332 19.176 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.088 -10.968 18.073 1.00 0.00 H new ATOM 847 N PHE A 54 21.930 -10.550 15.709 1.00 0.00 N ATOM 848 CA PHE A 54 22.017 -10.125 14.320 1.00 0.00 C ATOM 849 C PHE A 54 23.345 -10.544 13.688 1.00 0.00 C ATOM 850 O PHE A 54 23.380 -10.877 12.506 1.00 0.00 O ATOM 851 CB PHE A 54 21.843 -8.608 14.226 1.00 0.00 C ATOM 852 CG PHE A 54 20.476 -8.093 14.623 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.329 -8.880 14.428 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.347 -6.813 15.182 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.068 -8.388 14.785 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.082 -6.317 15.521 1.00 0.00 C ATOM 857 CZ PHE A 54 17.945 -7.107 15.328 1.00 0.00 C ATOM 0 H PHE A 54 22.010 -9.793 16.388 1.00 0.00 H new ATOM 0 HA PHE A 54 21.216 -10.616 13.767 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.592 -8.132 14.859 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.048 -8.297 13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.420 -9.868 14.001 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.226 -6.208 15.351 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.190 -8.999 14.640 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.985 -5.323 15.932 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.971 -6.727 15.599 1.00 0.00 H new ATOM 867 N ILE A 55 24.445 -10.535 14.449 1.00 0.00 N ATOM 868 CA ILE A 55 25.738 -10.952 13.919 1.00 0.00 C ATOM 869 C ILE A 55 25.708 -12.458 13.659 1.00 0.00 C ATOM 870 O ILE A 55 26.220 -12.935 12.646 1.00 0.00 O ATOM 871 CB ILE A 55 26.853 -10.577 14.905 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.972 -9.051 15.021 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.187 -11.171 14.449 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.920 -8.629 16.145 1.00 0.00 C ATOM 0 H ILE A 55 24.461 -10.245 15.427 1.00 0.00 H new ATOM 0 HA ILE A 55 25.940 -10.440 12.978 1.00 0.00 H new ATOM 0 HB ILE A 55 26.601 -10.986 15.883 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.328 -8.643 14.075 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.985 -8.624 15.201 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.969 -10.897 15.158 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.105 -12.257 14.402 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.440 -10.783 13.462 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.972 -7.541 16.188 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.550 -9.013 17.096 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.914 -9.032 15.953 1.00 0.00 H new ATOM 886 N LYS A 56 25.100 -13.213 14.581 1.00 0.00 N ATOM 887 CA LYS A 56 24.998 -14.659 14.465 1.00 0.00 C ATOM 888 C LYS A 56 23.921 -15.056 13.459 1.00 0.00 C ATOM 889 O LYS A 56 24.022 -16.111 12.835 1.00 0.00 O ATOM 890 CB LYS A 56 24.716 -15.224 15.854 1.00 0.00 C ATOM 891 CG LYS A 56 24.773 -16.749 15.825 1.00 0.00 C ATOM 892 CD LYS A 56 24.776 -17.314 17.243 1.00 0.00 C ATOM 893 CE LYS A 56 23.444 -17.047 17.933 1.00 0.00 C ATOM 894 NZ LYS A 56 23.424 -17.642 19.280 1.00 0.00 N ATOM 0 H LYS A 56 24.668 -12.833 15.424 1.00 0.00 H new ATOM 0 HA LYS A 56 25.933 -15.074 14.088 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.446 -14.839 16.566 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.734 -14.896 16.195 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.918 -17.140 15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.669 -17.075 15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.966 -18.387 17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.585 -16.863 17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.274 -15.973 18.003 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.631 -17.460 17.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.796 -17.086 19.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.075 -18.620 19.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.386 -17.640 19.675 1.00 0.00 H new ATOM 908 N ALA A 57 22.891 -14.221 13.295 1.00 0.00 N ATOM 909 CA ALA A 57 21.836 -14.495 12.342 1.00 0.00 C ATOM 910 C ALA A 57 22.366 -14.351 10.923 1.00 0.00 C ATOM 911 O ALA A 57 22.022 -15.160 10.071 1.00 0.00 O ATOM 912 CB ALA A 57 20.659 -13.551 12.566 1.00 0.00 C ATOM 0 H ALA A 57 22.774 -13.351 13.815 1.00 0.00 H new ATOM 0 HA ALA A 57 21.490 -15.518 12.487 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.874 -13.770 11.842 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.270 -13.688 13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.991 -12.520 12.442 1.00 0.00 H new ATOM 918 N TYR A 58 23.197 -13.344 10.645 1.00 0.00 N ATOM 919 CA TYR A 58 23.698 -13.133 9.296 1.00 0.00 C ATOM 920 C TYR A 58 24.537 -14.319 8.824 1.00 0.00 C ATOM 921 O TYR A 58 24.475 -14.711 7.659 1.00 0.00 O ATOM 922 CB TYR A 58 24.550 -11.867 9.284 1.00 0.00 C ATOM 923 CG TYR A 58 25.022 -11.493 7.899 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.095 -11.095 6.924 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.388 -11.553 7.591 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.538 -10.730 5.642 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.838 -11.202 6.311 1.00 0.00 C ATOM 928 CZ TYR A 58 25.912 -10.787 5.330 1.00 0.00 C ATOM 929 OH TYR A 58 26.343 -10.443 4.083 1.00 0.00 O ATOM 0 H TYR A 58 23.532 -12.670 11.333 1.00 0.00 H new ATOM 0 HA TYR A 58 22.851 -13.031 8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.973 -11.042 9.701 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.415 -12.010 9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.041 -11.069 7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.096 -11.871 8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.827 -10.406 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.891 -11.249 6.076 1.00 0.00 H new ATOM 0 HH TYR A 58 27.317 -10.537 4.036 1.00 0.00 H new ATOM 939 N ARG A 59 25.325 -14.892 9.737 1.00 0.00 N ATOM 940 CA ARG A 59 26.177 -16.036 9.443 1.00 0.00 C ATOM 941 C ARG A 59 25.347 -17.297 9.236 1.00 0.00 C ATOM 942 O ARG A 59 25.788 -18.224 8.556 1.00 0.00 O ATOM 943 CB ARG A 59 27.146 -16.216 10.609 1.00 0.00 C ATOM 944 CG ARG A 59 28.062 -14.997 10.736 1.00 0.00 C ATOM 945 CD ARG A 59 28.792 -15.060 12.072 1.00 0.00 C ATOM 946 NE ARG A 59 29.802 -14.000 12.177 1.00 0.00 N ATOM 947 CZ ARG A 59 30.534 -13.767 13.268 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.385 -14.511 14.360 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.431 -12.783 13.273 1.00 0.00 N ATOM 0 H ARG A 59 25.387 -14.571 10.703 1.00 0.00 H new ATOM 0 HA ARG A 59 26.728 -15.858 8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.588 -16.357 11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.745 -17.114 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.780 -14.979 9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.478 -14.079 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.074 -14.963 12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.270 -16.033 12.182 1.00 0.00 H new ATOM 0 HE ARG A 59 29.954 -13.403 11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.705 -15.271 14.371 1.00 0.00 H new ATOM 0 HH12 ARG A 59 30.951 -14.322 15.187 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.559 -12.206 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 59 31.990 -12.606 14.108 1.00 0.00 H new ATOM 963 N ALA A 60 24.147 -17.327 9.818 1.00 0.00 N ATOM 964 CA ALA A 60 23.216 -18.430 9.656 1.00 0.00 C ATOM 965 C ALA A 60 22.199 -18.144 8.549 1.00 0.00 C ATOM 966 O ALA A 60 21.469 -19.045 8.134 1.00 0.00 O ATOM 967 CB ALA A 60 22.525 -18.676 10.998 1.00 0.00 C ATOM 0 H ALA A 60 23.798 -16.579 10.417 1.00 0.00 H new ATOM 0 HA ALA A 60 23.758 -19.326 9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.820 -19.502 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.272 -18.925 11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.989 -17.777 11.302 1.00 0.00 H new ATOM 973 N LEU A 61 22.140 -16.899 8.063 1.00 0.00 N ATOM 974 CA LEU A 61 21.173 -16.480 7.063 1.00 0.00 C ATOM 975 C LEU A 61 21.571 -17.014 5.692 1.00 0.00 C ATOM 976 O LEU A 61 20.724 -17.175 4.816 1.00 0.00 O ATOM 977 CB LEU A 61 21.116 -14.951 7.055 1.00 0.00 C ATOM 978 CG LEU A 61 19.926 -14.427 6.257 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.612 -14.786 6.942 1.00 0.00 C ATOM 980 CD2 LEU A 61 20.033 -12.906 6.184 1.00 0.00 C ATOM 0 H LEU A 61 22.770 -16.154 8.360 1.00 0.00 H new ATOM 0 HA LEU A 61 20.188 -16.879 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.054 -14.585 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.039 -14.556 6.631 1.00 0.00 H new ATOM 0 HG LEU A 61 19.939 -14.876 5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.778 -14.402 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.529 -15.870 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.588 -14.344 7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.191 -12.509 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.019 -12.492 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.965 -12.630 5.691 1.00 0.00 H new ATOM 992 N ASP A 62 22.865 -17.291 5.509 1.00 0.00 N ATOM 993 CA ASP A 62 23.358 -17.929 4.301 1.00 0.00 C ATOM 994 C ASP A 62 22.849 -19.372 4.201 1.00 0.00 C ATOM 995 O ASP A 62 22.982 -20.011 3.161 1.00 0.00 O ATOM 996 CB ASP A 62 24.887 -17.889 4.332 1.00 0.00 C ATOM 997 CG ASP A 62 25.497 -18.441 3.046 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.238 -17.835 1.982 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.216 -19.463 3.139 1.00 0.00 O ATOM 0 H ASP A 62 23.591 -17.078 6.194 1.00 0.00 H new ATOM 0 HA ASP A 62 22.992 -17.398 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.220 -16.862 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.248 -18.467 5.182 1.00 0.00 H new ATOM 1004 N SER A 63 22.261 -19.882 5.289 1.00 0.00 N ATOM 1005 CA SER A 63 21.700 -21.223 5.346 1.00 0.00 C ATOM 1006 C SER A 63 20.174 -21.192 5.425 1.00 0.00 C ATOM 1007 O SER A 63 19.551 -22.244 5.561 1.00 0.00 O ATOM 1008 CB SER A 63 22.300 -21.972 6.535 1.00 0.00 C ATOM 1009 OG SER A 63 23.706 -22.051 6.408 1.00 0.00 O ATOM 0 H SER A 63 22.164 -19.363 6.162 1.00 0.00 H new ATOM 0 HA SER A 63 21.956 -21.749 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.040 -21.462 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.877 -22.975 6.593 1.00 0.00 H new ATOM 0 HG SER A 63 24.077 -22.532 7.177 1.00 0.00 H new ATOM 1015 N PHE A 64 19.568 -20.004 5.338 1.00 0.00 N ATOM 1016 CA PHE A 64 18.119 -19.867 5.321 1.00 0.00 C ATOM 1017 C PHE A 64 17.584 -20.312 3.960 1.00 0.00 C ATOM 1018 O PHE A 64 18.240 -20.096 2.936 1.00 0.00 O ATOM 1019 CB PHE A 64 17.740 -18.420 5.630 1.00 0.00 C ATOM 1020 CG PHE A 64 16.248 -18.174 5.677 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.488 -18.680 6.736 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.624 -17.440 4.658 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.104 -18.454 6.783 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.242 -17.208 4.706 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.482 -17.715 5.767 1.00 0.00 C ATOM 0 H PHE A 64 20.070 -19.118 5.278 1.00 0.00 H new ATOM 0 HA PHE A 64 17.670 -20.502 6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.175 -18.137 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.182 -17.770 4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.968 -19.247 7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.208 -17.053 3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.519 -18.849 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.763 -16.638 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.417 -17.537 5.803 1.00 0.00 H new ATOM 1099 N PHE A 70 10.601 -15.526 8.115 1.00 0.00 N ATOM 1100 CA PHE A 70 11.869 -14.972 8.569 1.00 0.00 C ATOM 1101 C PHE A 70 11.781 -14.476 10.009 1.00 0.00 C ATOM 1102 O PHE A 70 12.761 -14.562 10.743 1.00 0.00 O ATOM 1103 CB PHE A 70 12.289 -13.821 7.659 1.00 0.00 C ATOM 1104 CG PHE A 70 13.529 -13.118 8.160 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.762 -13.787 8.167 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.445 -11.802 8.637 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.903 -13.141 8.660 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.591 -11.154 9.121 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.820 -11.824 9.134 1.00 0.00 C ATOM 0 HA PHE A 70 12.613 -15.768 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.471 -14.203 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.472 -13.103 7.584 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.831 -14.798 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.496 -11.286 8.632 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.850 -13.659 8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.525 -10.139 9.483 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.703 -11.327 9.509 1.00 0.00 H new ATOM 1119 N TYR A 71 10.622 -13.962 10.429 1.00 0.00 N ATOM 1120 CA TYR A 71 10.507 -13.431 11.776 1.00 0.00 C ATOM 1121 C TYR A 71 10.547 -14.565 12.802 1.00 0.00 C ATOM 1122 O TYR A 71 11.121 -14.398 13.873 1.00 0.00 O ATOM 1123 CB TYR A 71 9.242 -12.580 11.901 1.00 0.00 C ATOM 1124 CG TYR A 71 7.937 -13.327 11.741 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.375 -13.995 12.837 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.284 -13.331 10.501 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.159 -14.678 12.696 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.066 -14.013 10.349 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.501 -14.693 11.447 1.00 0.00 C ATOM 1130 OH TYR A 71 4.319 -15.359 11.299 1.00 0.00 O ATOM 0 H TYR A 71 9.773 -13.905 9.867 1.00 0.00 H new ATOM 0 HA TYR A 71 11.358 -12.782 11.982 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.246 -12.096 12.877 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.282 -11.789 11.152 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.879 -13.984 13.792 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.718 -12.809 9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.726 -15.192 13.542 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.563 -14.017 9.393 1.00 0.00 H new ATOM 0 HH TYR A 71 4.004 -15.265 10.376 1.00 0.00 H new ATOM 1140 N THR A 72 9.950 -15.717 12.491 1.00 0.00 N ATOM 1141 CA THR A 72 9.973 -16.854 13.401 1.00 0.00 C ATOM 1142 C THR A 72 11.376 -17.452 13.430 1.00 0.00 C ATOM 1143 O THR A 72 11.821 -17.958 14.461 1.00 0.00 O ATOM 1144 CB THR A 72 8.958 -17.906 12.943 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.684 -17.312 12.812 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.853 -19.044 13.954 1.00 0.00 C ATOM 0 H THR A 72 9.448 -15.883 11.619 1.00 0.00 H new ATOM 0 HA THR A 72 9.705 -16.523 14.405 1.00 0.00 H new ATOM 0 HB THR A 72 9.298 -18.304 11.987 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.757 -16.345 12.956 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.126 -19.776 13.603 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.826 -19.523 14.065 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.533 -18.647 14.917 1.00 0.00 H new ATOM 1154 N TRP A 73 12.071 -17.395 12.292 1.00 0.00 N ATOM 1155 CA TRP A 73 13.417 -17.930 12.181 1.00 0.00 C ATOM 1156 C TRP A 73 14.437 -17.016 12.857 1.00 0.00 C ATOM 1157 O TRP A 73 15.479 -17.488 13.308 1.00 0.00 O ATOM 1158 CB TRP A 73 13.758 -18.112 10.703 1.00 0.00 C ATOM 1159 CG TRP A 73 15.165 -18.541 10.448 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.582 -19.813 10.262 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.364 -17.717 10.352 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.945 -19.835 10.068 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.483 -18.565 10.135 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.619 -16.333 10.452 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.790 -18.077 10.038 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.927 -15.832 10.357 1.00 0.00 C ATOM 1167 CH2 TRP A 73 19.011 -16.699 10.159 1.00 0.00 C ATOM 0 H TRP A 73 11.715 -16.979 11.432 1.00 0.00 H new ATOM 0 HA TRP A 73 13.457 -18.893 12.690 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.081 -18.851 10.274 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.576 -17.172 10.181 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.942 -20.683 10.265 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.488 -20.681 9.897 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.797 -15.650 10.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.616 -18.752 9.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.100 -14.769 10.437 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.015 -16.305 10.100 1.00 0.00 H new ATOM 1178 N LEU A 74 14.150 -15.712 12.936 1.00 0.00 N ATOM 1179 CA LEU A 74 15.048 -14.754 13.558 1.00 0.00 C ATOM 1180 C LEU A 74 14.819 -14.677 15.063 1.00 0.00 C ATOM 1181 O LEU A 74 15.767 -14.512 15.825 1.00 0.00 O ATOM 1182 CB LEU A 74 14.834 -13.383 12.912 1.00 0.00 C ATOM 1183 CG LEU A 74 15.744 -12.315 13.527 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.217 -12.620 13.257 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.399 -10.954 12.933 1.00 0.00 C ATOM 0 H LEU A 74 13.291 -15.300 12.570 1.00 0.00 H new ATOM 0 HA LEU A 74 16.077 -15.079 13.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 15.027 -13.452 11.841 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.792 -13.084 13.030 1.00 0.00 H new ATOM 0 HG LEU A 74 15.584 -12.311 14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.837 -11.844 13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.474 -13.586 13.691 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.392 -12.647 12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.045 -10.192 13.369 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.547 -10.980 11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.358 -10.715 13.151 1.00 0.00 H new ATOM 1197 N TYR A 75 13.565 -14.802 15.507 1.00 0.00 N ATOM 1198 CA TYR A 75 13.263 -14.720 16.929 1.00 0.00 C ATOM 1199 C TYR A 75 13.782 -15.937 17.688 1.00 0.00 C ATOM 1200 O TYR A 75 13.962 -15.858 18.902 1.00 0.00 O ATOM 1201 CB TYR A 75 11.758 -14.522 17.130 1.00 0.00 C ATOM 1202 CG TYR A 75 11.237 -13.189 16.635 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.053 -12.048 16.653 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.918 -13.098 16.160 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.564 -10.820 16.194 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.423 -11.872 15.691 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.248 -10.729 15.699 1.00 0.00 C ATOM 1208 OH TYR A 75 9.768 -9.544 15.230 1.00 0.00 O ATOM 0 H TYR A 75 12.755 -14.958 14.907 1.00 0.00 H new ATOM 0 HA TYR A 75 13.782 -13.856 17.344 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.225 -15.322 16.615 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.529 -14.618 18.191 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.065 -12.118 17.023 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.285 -13.973 16.156 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.194 -9.943 16.219 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.410 -11.804 15.324 1.00 0.00 H new ATOM 0 HH TYR A 75 10.359 -9.208 14.524 1.00 0.00 H new ATOM 1218 N ARG A 76 14.034 -17.057 17.002 1.00 0.00 N ATOM 1219 CA ARG A 76 14.683 -18.192 17.648 1.00 0.00 C ATOM 1220 C ARG A 76 16.181 -17.936 17.804 1.00 0.00 C ATOM 1221 O ARG A 76 16.803 -18.523 18.685 1.00 0.00 O ATOM 1222 CB ARG A 76 14.395 -19.499 16.906 1.00 0.00 C ATOM 1223 CG ARG A 76 14.812 -19.433 15.442 1.00 0.00 C ATOM 1224 CD ARG A 76 14.578 -20.786 14.775 1.00 0.00 C ATOM 1225 NE ARG A 76 15.533 -21.795 15.255 1.00 0.00 N ATOM 1226 CZ ARG A 76 16.786 -21.918 14.806 1.00 0.00 C ATOM 1227 NH1 ARG A 76 17.255 -21.108 13.861 1.00 0.00 N ATOM 1228 NH2 ARG A 76 17.582 -22.859 15.305 1.00 0.00 N ATOM 0 H ARG A 76 13.802 -17.197 16.019 1.00 0.00 H new ATOM 0 HA ARG A 76 14.263 -18.303 18.648 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.923 -20.317 17.396 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.330 -19.724 16.969 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.242 -18.660 14.927 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.864 -19.157 15.366 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.561 -21.121 14.977 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.671 -20.681 13.694 1.00 0.00 H new ATOM 0 HE ARG A 76 15.219 -22.443 15.977 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.656 -20.381 13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.213 -21.214 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.236 -23.487 16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.538 -22.953 14.962 1.00 0.00 H new ATOM 1242 N ILE A 77 16.770 -17.069 16.970 1.00 0.00 N ATOM 1243 CA ILE A 77 18.175 -16.709 17.137 1.00 0.00 C ATOM 1244 C ILE A 77 18.320 -15.847 18.387 1.00 0.00 C ATOM 1245 O ILE A 77 19.264 -16.023 19.149 1.00 0.00 O ATOM 1246 CB ILE A 77 18.715 -15.924 15.927 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.413 -16.567 14.568 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.232 -15.757 16.083 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.974 -17.977 14.393 1.00 0.00 C ATOM 0 H ILE A 77 16.301 -16.613 16.187 1.00 0.00 H new ATOM 0 HA ILE A 77 18.750 -17.631 17.227 1.00 0.00 H new ATOM 0 HB ILE A 77 18.199 -14.964 15.926 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.332 -16.600 14.429 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.816 -15.929 13.781 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.626 -15.202 15.232 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.445 -15.211 17.002 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.704 -16.739 16.126 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.712 -18.353 13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.059 -17.952 14.497 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.552 -18.634 15.154 1.00 0.00 H new ATOM 1261 N ALA A 78 17.385 -14.916 18.604 1.00 0.00 N ATOM 1262 CA ALA A 78 17.499 -13.937 19.668 1.00 0.00 C ATOM 1263 C ALA A 78 17.333 -14.558 21.055 1.00 0.00 C ATOM 1264 O ALA A 78 18.060 -14.191 21.976 1.00 0.00 O ATOM 1265 CB ALA A 78 16.464 -12.842 19.443 1.00 0.00 C ATOM 0 H ALA A 78 16.536 -14.827 18.046 1.00 0.00 H new ATOM 0 HA ALA A 78 18.504 -13.517 19.638 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.541 -12.100 20.238 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.644 -12.363 18.481 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.465 -13.279 19.449 1.00 0.00 H new ATOM 1271 N VAL A 79 16.392 -15.491 21.220 1.00 0.00 N ATOM 1272 CA VAL A 79 16.150 -16.091 22.526 1.00 0.00 C ATOM 1273 C VAL A 79 17.214 -17.133 22.848 1.00 0.00 C ATOM 1274 O VAL A 79 17.540 -17.342 24.017 1.00 0.00 O ATOM 1275 CB VAL A 79 14.735 -16.666 22.594 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.517 -17.780 21.578 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.466 -17.245 23.981 1.00 0.00 C ATOM 0 H VAL A 79 15.793 -15.842 20.472 1.00 0.00 H new ATOM 0 HA VAL A 79 16.223 -15.317 23.290 1.00 0.00 H new ATOM 0 HB VAL A 79 14.055 -15.843 22.373 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.498 -18.157 21.664 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.676 -17.391 20.572 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.221 -18.590 21.770 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.455 -17.651 24.016 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.183 -18.039 24.189 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.567 -16.459 24.729 1.00 0.00 H new ATOM 1287 N ASN A 80 17.774 -17.793 21.832 1.00 0.00 N ATOM 1288 CA ASN A 80 18.819 -18.778 22.064 1.00 0.00 C ATOM 1289 C ASN A 80 20.160 -18.085 22.310 1.00 0.00 C ATOM 1290 O ASN A 80 21.070 -18.695 22.866 1.00 0.00 O ATOM 1291 CB ASN A 80 18.889 -19.742 20.880 1.00 0.00 C ATOM 1292 CG ASN A 80 17.659 -20.637 20.790 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.843 -20.696 21.704 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.518 -21.352 19.677 1.00 0.00 N ATOM 0 H ASN A 80 17.521 -17.662 20.853 1.00 0.00 H new ATOM 0 HA ASN A 80 18.583 -19.355 22.958 1.00 0.00 H new ATOM 0 HB2 ASN A 80 18.990 -19.173 19.956 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.781 -20.362 20.971 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.714 -21.970 19.567 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.213 -21.282 18.934 1.00 0.00 H new ATOM 1301 N THR A 81 20.296 -16.814 21.908 1.00 0.00 N ATOM 1302 CA THR A 81 21.507 -16.049 22.167 1.00 0.00 C ATOM 1303 C THR A 81 21.463 -15.461 23.575 1.00 0.00 C ATOM 1304 O THR A 81 22.509 -15.224 24.174 1.00 0.00 O ATOM 1305 CB THR A 81 21.670 -14.935 21.126 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.696 -15.504 19.839 1.00 0.00 O ATOM 1307 CG2 THR A 81 22.980 -14.177 21.319 1.00 0.00 C ATOM 0 H THR A 81 19.576 -16.299 21.401 1.00 0.00 H new ATOM 0 HA THR A 81 22.366 -16.716 22.092 1.00 0.00 H new ATOM 0 HB THR A 81 20.833 -14.247 21.244 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.800 -15.463 19.445 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.062 -13.395 20.564 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.997 -13.727 22.311 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.818 -14.867 21.219 1.00 0.00 H new ATOM 1315 N ALA A 82 20.268 -15.224 24.120 1.00 0.00 N ATOM 1316 CA ALA A 82 20.144 -14.698 25.472 1.00 0.00 C ATOM 1317 C ALA A 82 20.461 -15.785 26.495 1.00 0.00 C ATOM 1318 O ALA A 82 21.053 -15.506 27.535 1.00 0.00 O ATOM 1319 CB ALA A 82 18.730 -14.158 25.661 1.00 0.00 C ATOM 0 H ALA A 82 19.380 -15.388 23.646 1.00 0.00 H new ATOM 0 HA ALA A 82 20.858 -13.888 25.623 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.624 -13.761 26.671 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.544 -13.364 24.937 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.010 -14.962 25.510 1.00 0.00 H new ATOM 1325 N LYS A 83 20.071 -17.030 26.198 1.00 0.00 N ATOM 1326 CA LYS A 83 20.396 -18.159 27.059 1.00 0.00 C ATOM 1327 C LYS A 83 21.873 -18.511 26.904 1.00 0.00 C ATOM 1328 O LYS A 83 22.492 -19.018 27.837 1.00 0.00 O ATOM 1329 CB LYS A 83 19.506 -19.346 26.683 1.00 0.00 C ATOM 1330 CG LYS A 83 18.033 -19.013 26.924 1.00 0.00 C ATOM 1331 CD LYS A 83 17.153 -20.156 26.421 1.00 0.00 C ATOM 1332 CE LYS A 83 15.682 -19.786 26.592 1.00 0.00 C ATOM 1333 NZ LYS A 83 14.798 -20.872 26.128 1.00 0.00 N ATOM 0 H LYS A 83 19.531 -17.275 25.368 1.00 0.00 H new ATOM 0 HA LYS A 83 20.215 -17.902 28.103 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.659 -19.605 25.635 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.788 -20.219 27.271 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.858 -18.848 27.987 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.771 -18.088 26.410 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.367 -20.358 25.372 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.375 -21.069 26.973 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.478 -19.572 27.641 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.467 -18.875 26.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.805 -20.591 26.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.977 -21.059 25.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.988 -21.734 26.679 1.00 0.00 H new ATOM 1347 N ASN A 84 22.432 -18.233 25.725 1.00 0.00 N ATOM 1348 CA ASN A 84 23.838 -18.447 25.422 1.00 0.00 C ATOM 1349 C ASN A 84 24.711 -17.385 26.088 1.00 0.00 C ATOM 1350 O ASN A 84 25.863 -17.647 26.428 1.00 0.00 O ATOM 1351 CB ASN A 84 23.991 -18.375 23.901 1.00 0.00 C ATOM 1352 CG ASN A 84 25.445 -18.346 23.465 1.00 0.00 C ATOM 1353 OD1 ASN A 84 25.938 -17.335 22.976 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.136 -19.462 23.642 1.00 0.00 N ATOM 0 H ASN A 84 21.905 -17.845 24.942 1.00 0.00 H new ATOM 0 HA ASN A 84 24.160 -19.416 25.803 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.496 -19.234 23.448 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.486 -17.483 23.530 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.118 -19.503 23.368 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.687 -20.280 24.053 1.00 0.00 H new