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+ -178:sc= 1.01 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 84:sc= 2.2 USER MOD Single : A 6 THR OG1 : rot 33:sc= 0.217 USER MOD Single : A 8 GLN : amide:sc= 0.376 X(o=0.38,f=-0.045) USER MOD Single : A 15 GLN : amide:sc= 0.574 K(o=0.57,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0665 X(o=-0.066,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 -31:sc= 0.233 USER MOD Single : A 40 TYR OH : rot 30:sc= 0.247 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.84) 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 -2:sc= 0.672 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0111 (180deg=-0.188) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.028 -6.152 1.606 1.00 0.00 N ATOM 83 CA THR A 6 9.729 -6.902 2.821 1.00 0.00 C ATOM 84 C THR A 6 10.847 -7.912 3.067 1.00 0.00 C ATOM 85 O THR A 6 11.738 -8.066 2.230 1.00 0.00 O ATOM 86 CB THR A 6 8.366 -7.584 2.657 1.00 0.00 C ATOM 87 OG1 THR A 6 7.392 -6.627 2.289 1.00 0.00 O ATOM 88 CG2 THR A 6 7.885 -8.250 3.941 1.00 0.00 C ATOM 0 HA THR A 6 9.675 -6.243 3.687 1.00 0.00 H new ATOM 0 HB THR A 6 8.494 -8.347 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.807 -5.934 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.916 -8.717 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.604 -9.010 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.791 -7.500 4.727 1.00 0.00 H new ATOM 96 N ASP A 7 10.816 -8.609 4.207 1.00 0.00 N ATOM 97 CA ASP A 7 11.839 -9.579 4.583 1.00 0.00 C ATOM 98 C ASP A 7 12.030 -10.657 3.519 1.00 0.00 C ATOM 99 O ASP A 7 13.041 -11.355 3.522 1.00 0.00 O ATOM 100 CB ASP A 7 11.451 -10.220 5.919 1.00 0.00 C ATOM 101 CG ASP A 7 10.124 -10.972 5.836 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.131 -12.114 5.329 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.110 -10.392 6.285 1.00 0.00 O ATOM 0 H ASP A 7 10.072 -8.512 4.898 1.00 0.00 H new ATOM 0 HA ASP A 7 12.789 -9.052 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.237 -10.907 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.381 -9.447 6.684 1.00 0.00 H new ATOM 108 N GLN A 8 11.073 -10.810 2.604 1.00 0.00 N ATOM 109 CA GLN A 8 11.185 -11.772 1.523 1.00 0.00 C ATOM 110 C GLN A 8 12.313 -11.371 0.577 1.00 0.00 C ATOM 111 O GLN A 8 13.197 -12.174 0.286 1.00 0.00 O ATOM 112 CB GLN A 8 9.848 -11.825 0.777 1.00 0.00 C ATOM 113 CG GLN A 8 9.907 -12.731 -0.458 1.00 0.00 C ATOM 114 CD GLN A 8 10.234 -14.172 -0.094 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.339 -14.991 0.091 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.520 -14.495 0.012 1.00 0.00 N ATOM 0 H GLN A 8 10.207 -10.272 2.596 1.00 0.00 H new ATOM 0 HA GLN A 8 11.418 -12.758 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.072 -12.185 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.564 -10.818 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.950 -12.697 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.660 -12.352 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.238 -13.789 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.788 -15.449 0.254 1.00 0.00 H new ATOM 125 N VAL A 9 12.285 -10.127 0.094 1.00 0.00 N ATOM 126 CA VAL A 9 13.264 -9.635 -0.867 1.00 0.00 C ATOM 127 C VAL A 9 14.517 -9.128 -0.157 1.00 0.00 C ATOM 128 O VAL A 9 15.599 -9.127 -0.743 1.00 0.00 O ATOM 129 CB VAL A 9 12.611 -8.551 -1.741 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.926 -7.488 -0.888 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.628 -7.867 -2.651 1.00 0.00 C ATOM 0 H VAL A 9 11.583 -9.437 0.360 1.00 0.00 H new ATOM 0 HA VAL A 9 13.585 -10.450 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 9 11.869 -9.060 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.475 -6.737 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.152 -7.954 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.662 -7.013 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.126 -7.108 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.401 -7.396 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.084 -8.607 -3.308 1.00 0.00 H new ATOM 141 N LEU A 10 14.392 -8.701 1.101 1.00 0.00 N ATOM 142 CA LEU A 10 15.535 -8.237 1.866 1.00 0.00 C ATOM 143 C LEU A 10 16.451 -9.402 2.235 1.00 0.00 C ATOM 144 O LEU A 10 17.653 -9.201 2.390 1.00 0.00 O ATOM 145 CB LEU A 10 15.037 -7.504 3.116 1.00 0.00 C ATOM 146 CG LEU A 10 14.962 -5.990 2.889 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.097 -5.617 1.692 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.383 -5.326 4.134 1.00 0.00 C ATOM 0 H LEU A 10 13.506 -8.670 1.606 1.00 0.00 H new ATOM 0 HA LEU A 10 16.121 -7.546 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.052 -7.881 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.704 -7.715 3.952 1.00 0.00 H new ATOM 0 HG LEU A 10 15.976 -5.643 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.080 -4.533 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.509 -6.069 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.082 -5.981 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.327 -4.249 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.384 -5.718 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.024 -5.537 4.990 1.00 0.00 H new ATOM 160 N VAL A 11 15.915 -10.620 2.379 1.00 0.00 N ATOM 161 CA VAL A 11 16.760 -11.771 2.668 1.00 0.00 C ATOM 162 C VAL A 11 17.370 -12.302 1.373 1.00 0.00 C ATOM 163 O VAL A 11 18.465 -12.861 1.386 1.00 0.00 O ATOM 164 CB VAL A 11 15.975 -12.851 3.410 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.805 -14.131 3.527 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.658 -12.372 4.829 1.00 0.00 C ATOM 0 H VAL A 11 14.919 -10.826 2.301 1.00 0.00 H new ATOM 0 HA VAL A 11 17.573 -11.461 3.325 1.00 0.00 H new ATOM 0 HB VAL A 11 15.060 -13.049 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.231 -14.890 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.054 -14.496 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.723 -13.921 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.098 -13.144 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.588 -12.170 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.062 -11.460 4.781 1.00 0.00 H new ATOM 176 N GLU A 12 16.685 -12.135 0.239 1.00 0.00 N ATOM 177 CA GLU A 12 17.262 -12.552 -1.030 1.00 0.00 C ATOM 178 C GLU A 12 18.428 -11.638 -1.398 1.00 0.00 C ATOM 179 O GLU A 12 19.450 -12.119 -1.882 1.00 0.00 O ATOM 180 CB GLU A 12 16.197 -12.517 -2.125 1.00 0.00 C ATOM 181 CG GLU A 12 15.183 -13.643 -1.943 1.00 0.00 C ATOM 182 CD GLU A 12 14.145 -13.620 -3.063 1.00 0.00 C ATOM 183 OE1 GLU A 12 13.167 -12.851 -2.935 1.00 0.00 O ATOM 184 OE2 GLU A 12 14.336 -14.376 -4.044 1.00 0.00 O ATOM 0 H GLU A 12 15.754 -11.724 0.178 1.00 0.00 H new ATOM 0 HA GLU A 12 17.633 -13.573 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.684 -11.555 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.672 -12.606 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.697 -14.604 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.687 -13.540 -0.978 1.00 0.00 H new ATOM 191 N ARG A 13 18.284 -10.328 -1.172 1.00 0.00 N ATOM 192 CA ARG A 13 19.280 -9.340 -1.564 1.00 0.00 C ATOM 193 C ARG A 13 20.564 -9.463 -0.752 1.00 0.00 C ATOM 194 O ARG A 13 21.647 -9.272 -1.296 1.00 0.00 O ATOM 195 CB ARG A 13 18.647 -7.950 -1.428 1.00 0.00 C ATOM 196 CG ARG A 13 19.606 -6.841 -1.856 1.00 0.00 C ATOM 197 CD ARG A 13 18.866 -5.508 -1.934 1.00 0.00 C ATOM 198 NE ARG A 13 17.863 -5.509 -3.005 1.00 0.00 N ATOM 199 CZ ARG A 13 16.946 -4.553 -3.172 1.00 0.00 C ATOM 200 NH1 ARG A 13 16.898 -3.507 -2.350 1.00 0.00 N ATOM 201 NH2 ARG A 13 16.067 -4.642 -4.166 1.00 0.00 N ATOM 0 H ARG A 13 17.468 -9.927 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 13 19.575 -9.511 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.743 -7.902 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.345 -7.789 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.429 -6.768 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.042 -7.081 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.380 -5.305 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.581 -4.704 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 13 17.867 -6.289 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.566 -3.430 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.193 -2.783 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.094 -5.440 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.366 -3.912 -4.294 1.00 0.00 H new ATOM 215 N VAL A 14 20.480 -9.783 0.543 1.00 0.00 N ATOM 216 CA VAL A 14 21.686 -9.977 1.339 1.00 0.00 C ATOM 217 C VAL A 14 22.398 -11.261 0.923 1.00 0.00 C ATOM 218 O VAL A 14 23.598 -11.402 1.146 1.00 0.00 O ATOM 219 CB VAL A 14 21.355 -9.991 2.831 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.729 -8.663 3.234 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.382 -11.106 3.197 1.00 0.00 C ATOM 0 H VAL A 14 19.605 -9.910 1.051 1.00 0.00 H new ATOM 0 HA VAL A 14 22.359 -9.140 1.155 1.00 0.00 H new ATOM 0 HB VAL A 14 22.292 -10.160 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.495 -8.679 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.429 -7.853 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.814 -8.504 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.178 -11.074 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.451 -10.972 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.820 -12.070 2.940 1.00 0.00 H new ATOM 231 N GLN A 15 21.664 -12.199 0.313 1.00 0.00 N ATOM 232 CA GLN A 15 22.257 -13.412 -0.239 1.00 0.00 C ATOM 233 C GLN A 15 22.870 -13.136 -1.618 1.00 0.00 C ATOM 234 O GLN A 15 23.643 -13.953 -2.113 1.00 0.00 O ATOM 235 CB GLN A 15 21.208 -14.523 -0.300 1.00 0.00 C ATOM 236 CG GLN A 15 20.787 -14.961 1.108 1.00 0.00 C ATOM 237 CD GLN A 15 19.662 -15.994 1.065 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.071 -16.257 0.017 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.346 -16.597 2.209 1.00 0.00 N ATOM 0 H GLN A 15 20.653 -12.136 0.191 1.00 0.00 H new ATOM 0 HA GLN A 15 23.064 -13.744 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.335 -14.174 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.609 -15.377 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.646 -15.380 1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.461 -14.091 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.849 -16.363 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.601 -17.293 2.230 1.00 0.00 H new ATOM 248 N LYS A 16 22.539 -11.995 -2.241 1.00 0.00 N ATOM 249 CA LYS A 16 23.192 -11.557 -3.473 1.00 0.00 C ATOM 250 C LYS A 16 24.537 -10.895 -3.168 1.00 0.00 C ATOM 251 O LYS A 16 25.283 -10.569 -4.090 1.00 0.00 O ATOM 252 CB LYS A 16 22.299 -10.575 -4.240 1.00 0.00 C ATOM 253 CG LYS A 16 20.930 -11.137 -4.624 1.00 0.00 C ATOM 254 CD LYS A 16 21.016 -12.483 -5.344 1.00 0.00 C ATOM 255 CE LYS A 16 19.600 -12.956 -5.668 1.00 0.00 C ATOM 256 NZ LYS A 16 19.621 -14.255 -6.362 1.00 0.00 N ATOM 0 H LYS A 16 21.817 -11.358 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 16 23.363 -12.439 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.154 -9.682 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.818 -10.262 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.325 -11.251 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.416 -10.421 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.601 -12.386 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.525 -13.215 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.022 -13.041 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.099 -12.215 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.647 -14.553 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.153 -14.165 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.078 -14.965 -5.755 1.00 0.00 H new ATOM 270 N GLY A 17 24.843 -10.698 -1.883 1.00 0.00 N ATOM 271 CA GLY A 17 26.088 -10.088 -1.435 1.00 0.00 C ATOM 272 C GLY A 17 25.903 -8.625 -1.037 1.00 0.00 C ATOM 273 O GLY A 17 26.876 -7.950 -0.699 1.00 0.00 O ATOM 0 H GLY A 17 24.222 -10.963 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.479 -10.647 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.830 -10.155 -2.230 1.00 0.00 H new ATOM 277 N ASP A 18 24.665 -8.124 -1.063 1.00 0.00 N ATOM 278 CA ASP A 18 24.357 -6.755 -0.689 1.00 0.00 C ATOM 279 C ASP A 18 24.061 -6.690 0.809 1.00 0.00 C ATOM 280 O ASP A 18 22.903 -6.731 1.224 1.00 0.00 O ATOM 281 CB ASP A 18 23.182 -6.260 -1.535 1.00 0.00 C ATOM 282 CG ASP A 18 23.639 -5.875 -2.940 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.387 -4.878 -3.047 1.00 0.00 O ATOM 284 OD2 ASP A 18 23.235 -6.574 -3.893 1.00 0.00 O ATOM 0 H ASP A 18 23.849 -8.666 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 18 25.207 -6.101 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.422 -7.038 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.719 -5.400 -1.052 1.00 0.00 H new ATOM 289 N GLN A 19 25.116 -6.587 1.625 1.00 0.00 N ATOM 290 CA GLN A 19 24.989 -6.548 3.074 1.00 0.00 C ATOM 291 C GLN A 19 24.263 -5.278 3.521 1.00 0.00 C ATOM 292 O GLN A 19 23.745 -5.223 4.634 1.00 0.00 O ATOM 293 CB GLN A 19 26.395 -6.668 3.673 1.00 0.00 C ATOM 294 CG GLN A 19 26.383 -6.805 5.197 1.00 0.00 C ATOM 295 CD GLN A 19 26.317 -5.466 5.928 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.484 -4.401 5.338 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.072 -5.514 7.233 1.00 0.00 N ATOM 0 H GLN A 19 26.079 -6.529 1.293 1.00 0.00 H new ATOM 0 HA GLN A 19 24.382 -7.379 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.897 -7.533 3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.978 -5.790 3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.529 -7.414 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.279 -7.339 5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.938 -6.414 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.018 -4.651 7.774 1.00 0.00 H new ATOM 306 N LYS A 20 24.216 -4.257 2.657 1.00 0.00 N ATOM 307 CA LYS A 20 23.508 -3.014 2.942 1.00 0.00 C ATOM 308 C LYS A 20 22.023 -3.273 3.178 1.00 0.00 C ATOM 309 O LYS A 20 21.362 -2.491 3.857 1.00 0.00 O ATOM 310 CB LYS A 20 23.716 -2.054 1.769 1.00 0.00 C ATOM 311 CG LYS A 20 23.085 -2.603 0.486 1.00 0.00 C ATOM 312 CD LYS A 20 23.416 -1.694 -0.698 1.00 0.00 C ATOM 313 CE LYS A 20 22.729 -2.225 -1.955 1.00 0.00 C ATOM 314 NZ LYS A 20 23.088 -1.422 -3.138 1.00 0.00 N ATOM 0 H LYS A 20 24.669 -4.274 1.743 1.00 0.00 H new ATOM 0 HA LYS A 20 23.905 -2.568 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.278 -1.085 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.783 -1.892 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.453 -3.611 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.004 -2.676 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.085 -0.676 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.495 -1.654 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.015 -3.264 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.648 -2.209 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.607 -1.805 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.793 -0.436 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.117 -1.458 -3.283 1.00 0.00 H new ATOM 328 N ALA A 21 21.492 -4.367 2.623 1.00 0.00 N ATOM 329 CA ALA A 21 20.090 -4.705 2.803 1.00 0.00 C ATOM 330 C ALA A 21 19.870 -5.426 4.129 1.00 0.00 C ATOM 331 O ALA A 21 18.740 -5.481 4.610 1.00 0.00 O ATOM 332 CB ALA A 21 19.618 -5.547 1.622 1.00 0.00 C ATOM 0 H ALA A 21 22.016 -5.027 2.048 1.00 0.00 H new ATOM 0 HA ALA A 21 19.499 -3.789 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.567 -5.802 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.741 -4.980 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.209 -6.461 1.568 1.00 0.00 H new ATOM 338 N PHE A 22 20.930 -5.979 4.732 1.00 0.00 N ATOM 339 CA PHE A 22 20.799 -6.627 6.024 1.00 0.00 C ATOM 340 C PHE A 22 20.727 -5.562 7.105 1.00 0.00 C ATOM 341 O PHE A 22 19.988 -5.709 8.072 1.00 0.00 O ATOM 342 CB PHE A 22 21.981 -7.562 6.278 1.00 0.00 C ATOM 343 CG PHE A 22 21.828 -8.317 7.579 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.804 -9.268 7.712 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.691 -8.066 8.654 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.645 -9.965 8.913 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.526 -8.760 9.860 1.00 0.00 C ATOM 348 CZ PHE A 22 21.505 -9.710 9.992 1.00 0.00 C ATOM 0 H PHE A 22 21.873 -5.986 4.344 1.00 0.00 H new ATOM 0 HA PHE A 22 19.888 -7.225 6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.068 -8.271 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.904 -6.983 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.138 -9.461 6.884 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.483 -7.338 8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.860 -10.700 9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.188 -8.562 10.690 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.380 -10.245 10.922 1.00 0.00 H new ATOM 358 N ASN A 23 21.491 -4.480 6.944 1.00 0.00 N ATOM 359 CA ASN A 23 21.480 -3.382 7.892 1.00 0.00 C ATOM 360 C ASN A 23 20.084 -2.774 7.952 1.00 0.00 C ATOM 361 O ASN A 23 19.587 -2.447 9.027 1.00 0.00 O ATOM 362 CB ASN A 23 22.510 -2.359 7.423 1.00 0.00 C ATOM 363 CG ASN A 23 22.335 -1.013 8.108 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.769 -0.816 9.240 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.689 -0.080 7.417 1.00 0.00 N ATOM 0 H ASN A 23 22.127 -4.347 6.158 1.00 0.00 H new ATOM 0 HA ASN A 23 21.734 -3.723 8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.513 -2.738 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.426 -2.229 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.537 0.843 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.345 -0.286 6.479 1.00 0.00 H new ATOM 372 N LEU A 24 19.444 -2.630 6.789 1.00 0.00 N ATOM 373 CA LEU A 24 18.092 -2.098 6.714 1.00 0.00 C ATOM 374 C LEU A 24 17.053 -3.141 7.127 1.00 0.00 C ATOM 375 O LEU A 24 15.918 -2.788 7.446 1.00 0.00 O ATOM 376 CB LEU A 24 17.822 -1.607 5.294 1.00 0.00 C ATOM 377 CG LEU A 24 18.794 -0.503 4.866 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.585 -0.215 3.382 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.566 0.778 5.665 1.00 0.00 C ATOM 0 H LEU A 24 19.847 -2.877 5.885 1.00 0.00 H new ATOM 0 HA LEU A 24 18.008 -1.265 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.900 -2.445 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.800 -1.233 5.229 1.00 0.00 H new ATOM 0 HG LEU A 24 19.813 -0.843 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.271 0.570 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.776 -1.120 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.558 0.111 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.271 1.542 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.548 1.131 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.716 0.577 6.726 1.00 0.00 H new ATOM 391 N LEU A 25 17.421 -4.426 7.126 1.00 0.00 N ATOM 392 CA LEU A 25 16.519 -5.491 7.543 1.00 0.00 C ATOM 393 C LEU A 25 16.507 -5.621 9.062 1.00 0.00 C ATOM 394 O LEU A 25 15.443 -5.798 9.652 1.00 0.00 O ATOM 395 CB LEU A 25 16.947 -6.798 6.866 1.00 0.00 C ATOM 396 CG LEU A 25 16.114 -8.010 7.295 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.643 -7.838 6.926 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.658 -9.249 6.588 1.00 0.00 C ATOM 0 H LEU A 25 18.344 -4.750 6.838 1.00 0.00 H new ATOM 0 HA LEU A 25 15.500 -5.254 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.872 -6.680 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.996 -6.989 7.093 1.00 0.00 H new ATOM 0 HG LEU A 25 16.184 -8.111 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.083 -8.717 7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.244 -6.953 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.550 -7.721 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.075 -10.122 6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.587 -9.113 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.701 -9.398 6.867 1.00 0.00 H new ATOM 410 N VAL A 26 17.667 -5.536 9.720 1.00 0.00 N ATOM 411 CA VAL A 26 17.682 -5.736 11.160 1.00 0.00 C ATOM 412 C VAL A 26 17.028 -4.575 11.893 1.00 0.00 C ATOM 413 O VAL A 26 16.525 -4.793 12.986 1.00 0.00 O ATOM 414 CB VAL A 26 19.090 -5.980 11.712 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.751 -7.172 11.031 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.974 -4.741 11.583 1.00 0.00 C ATOM 0 H VAL A 26 18.572 -5.338 9.293 1.00 0.00 H new ATOM 0 HA VAL A 26 17.099 -6.639 11.340 1.00 0.00 H new ATOM 0 HB VAL A 26 18.979 -6.204 12.773 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.749 -7.320 11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.152 -8.066 11.201 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.826 -6.984 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.964 -4.957 11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.062 -4.465 10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.528 -3.916 12.139 1.00 0.00 H new ATOM 426 N VAL A 27 17.015 -3.357 11.338 1.00 0.00 N ATOM 427 CA VAL A 27 16.400 -2.230 12.042 1.00 0.00 C ATOM 428 C VAL A 27 14.891 -2.416 12.172 1.00 0.00 C ATOM 429 O VAL A 27 14.288 -1.893 13.110 1.00 0.00 O ATOM 430 CB VAL A 27 16.714 -0.901 11.348 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.206 -0.598 11.422 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.310 -0.915 9.880 1.00 0.00 C ATOM 0 H VAL A 27 17.413 -3.131 10.426 1.00 0.00 H new ATOM 0 HA VAL A 27 16.829 -2.202 13.043 1.00 0.00 H new ATOM 0 HB VAL A 27 16.140 -0.136 11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.410 0.350 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.513 -0.533 12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.764 -1.394 10.929 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.551 0.047 9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.852 -1.706 9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.238 -1.096 9.799 1.00 0.00 H new ATOM 442 N ARG A 28 14.269 -3.156 11.246 1.00 0.00 N ATOM 443 CA ARG A 28 12.837 -3.419 11.313 1.00 0.00 C ATOM 444 C ARG A 28 12.546 -4.375 12.465 1.00 0.00 C ATOM 445 O ARG A 28 11.490 -4.310 13.091 1.00 0.00 O ATOM 446 CB ARG A 28 12.358 -4.044 9.997 1.00 0.00 C ATOM 447 CG ARG A 28 12.884 -3.291 8.776 1.00 0.00 C ATOM 448 CD ARG A 28 12.321 -3.886 7.483 1.00 0.00 C ATOM 449 NE ARG A 28 10.878 -3.638 7.353 1.00 0.00 N ATOM 450 CZ ARG A 28 10.219 -3.643 6.190 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.847 -3.879 5.040 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.911 -3.406 6.170 1.00 0.00 N ATOM 0 H ARG A 28 14.738 -3.580 10.446 1.00 0.00 H new ATOM 0 HA ARG A 28 12.310 -2.479 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.685 -5.083 9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.268 -4.051 9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.609 -2.239 8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.973 -3.336 8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.842 -3.456 6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.509 -4.960 7.465 1.00 0.00 H new ATOM 0 HE ARG A 28 10.346 -3.450 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.851 -4.061 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.324 -3.878 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.413 -3.221 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.406 -3.409 5.284 1.00 0.00 H new ATOM 466 N TYR A 29 13.501 -5.263 12.736 1.00 0.00 N ATOM 467 CA TYR A 29 13.376 -6.260 13.782 1.00 0.00 C ATOM 468 C TYR A 29 14.119 -5.863 15.055 1.00 0.00 C ATOM 469 O TYR A 29 13.970 -6.524 16.072 1.00 0.00 O ATOM 470 CB TYR A 29 13.848 -7.603 13.231 1.00 0.00 C ATOM 471 CG TYR A 29 12.898 -8.149 12.196 1.00 0.00 C ATOM 472 CD1 TYR A 29 12.950 -7.687 10.873 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.948 -9.108 12.567 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.041 -8.159 9.919 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.039 -9.595 11.617 1.00 0.00 C ATOM 476 CZ TYR A 29 11.077 -9.121 10.290 1.00 0.00 C ATOM 477 OH TYR A 29 10.186 -9.591 9.371 1.00 0.00 O ATOM 0 H TYR A 29 14.385 -5.306 12.230 1.00 0.00 H new ATOM 0 HA TYR A 29 12.330 -6.340 14.076 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.838 -7.487 12.790 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.945 -8.317 14.048 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.697 -6.961 10.588 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.915 -9.472 13.583 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.077 -7.789 8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.307 -10.336 11.903 1.00 0.00 H new ATOM 0 HH TYR A 29 9.595 -10.248 9.795 1.00 0.00 H new ATOM 487 N GLN A 30 14.914 -4.793 15.015 1.00 0.00 N ATOM 488 CA GLN A 30 15.717 -4.354 16.147 1.00 0.00 C ATOM 489 C GLN A 30 14.822 -3.958 17.315 1.00 0.00 C ATOM 490 O GLN A 30 15.228 -4.065 18.469 1.00 0.00 O ATOM 491 CB GLN A 30 16.591 -3.191 15.679 1.00 0.00 C ATOM 492 CG GLN A 30 17.621 -2.749 16.715 1.00 0.00 C ATOM 493 CD GLN A 30 18.514 -1.670 16.110 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.554 -0.542 16.590 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.235 -2.010 15.044 1.00 0.00 N ATOM 0 H GLN A 30 15.017 -4.205 14.188 1.00 0.00 H new ATOM 0 HA GLN A 30 16.355 -5.163 16.504 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.108 -3.481 14.764 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.952 -2.344 15.429 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.119 -2.366 17.603 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.223 -3.600 17.032 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.178 -2.957 14.671 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.845 -1.323 14.601 1.00 0.00 H new ATOM 504 N HIS A 31 13.600 -3.509 17.019 1.00 0.00 N ATOM 505 CA HIS A 31 12.624 -3.206 18.054 1.00 0.00 C ATOM 506 C HIS A 31 11.837 -4.459 18.440 1.00 0.00 C ATOM 507 O HIS A 31 11.390 -4.588 19.578 1.00 0.00 O ATOM 508 CB HIS A 31 11.684 -2.114 17.535 1.00 0.00 C ATOM 509 CG HIS A 31 10.675 -1.670 18.561 1.00 0.00 C ATOM 510 ND1 HIS A 31 9.303 -1.946 18.520 1.00 0.00 N ATOM 511 CD2 HIS A 31 10.954 -0.937 19.676 1.00 0.00 C ATOM 512 CE1 HIS A 31 8.791 -1.372 19.621 1.00 0.00 C ATOM 513 NE2 HIS A 31 9.755 -0.758 20.330 1.00 0.00 N ATOM 0 H HIS A 31 13.268 -3.349 16.068 1.00 0.00 H new ATOM 0 HA HIS A 31 13.137 -2.853 18.949 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.275 -1.254 17.218 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.160 -2.483 16.653 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.922 -0.570 19.985 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.748 -1.400 19.899 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.621 -0.247 21.203 1.00 0.00 H new ATOM 521 N LYS A 32 11.666 -5.391 17.494 1.00 0.00 N ATOM 522 CA LYS A 32 10.876 -6.595 17.729 1.00 0.00 C ATOM 523 C LYS A 32 11.639 -7.631 18.552 1.00 0.00 C ATOM 524 O LYS A 32 11.061 -8.239 19.452 1.00 0.00 O ATOM 525 CB LYS A 32 10.447 -7.188 16.384 1.00 0.00 C ATOM 526 CG LYS A 32 9.645 -6.172 15.569 1.00 0.00 C ATOM 527 CD LYS A 32 9.206 -6.802 14.248 1.00 0.00 C ATOM 528 CE LYS A 32 8.428 -5.776 13.426 1.00 0.00 C ATOM 529 NZ LYS A 32 7.992 -6.345 12.136 1.00 0.00 N ATOM 0 H LYS A 32 12.067 -5.329 16.558 1.00 0.00 H new ATOM 0 HA LYS A 32 9.996 -6.317 18.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.328 -7.497 15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.846 -8.082 16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.772 -5.845 16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.251 -5.286 15.377 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.077 -7.145 13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.585 -7.677 14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.558 -5.438 13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.052 -4.900 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.466 -5.626 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.825 -6.645 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.377 -7.166 12.309 1.00 0.00 H new ATOM 543 N VAL A 33 12.927 -7.842 18.262 1.00 0.00 N ATOM 544 CA VAL A 33 13.707 -8.841 18.982 1.00 0.00 C ATOM 545 C VAL A 33 14.188 -8.297 20.319 1.00 0.00 C ATOM 546 O VAL A 33 14.413 -9.066 21.247 1.00 0.00 O ATOM 547 CB VAL A 33 14.883 -9.359 18.143 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.406 -9.842 16.774 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.984 -8.318 17.964 1.00 0.00 C ATOM 0 H VAL A 33 13.443 -7.338 17.541 1.00 0.00 H new ATOM 0 HA VAL A 33 13.050 -9.688 19.176 1.00 0.00 H new ATOM 0 HB VAL A 33 15.307 -10.196 18.698 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.258 -10.204 16.199 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.686 -10.650 16.904 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.933 -9.017 16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.789 -8.740 17.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.577 -7.441 17.461 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.373 -8.029 18.940 1.00 0.00 H new ATOM 559 N ALA A 34 14.351 -6.977 20.433 1.00 0.00 N ATOM 560 CA ALA A 34 14.752 -6.376 21.694 1.00 0.00 C ATOM 561 C ALA A 34 13.608 -6.460 22.704 1.00 0.00 C ATOM 562 O ALA A 34 13.843 -6.406 23.910 1.00 0.00 O ATOM 563 CB ALA A 34 15.172 -4.926 21.463 1.00 0.00 C ATOM 0 H ALA A 34 14.211 -6.314 19.671 1.00 0.00 H new ATOM 0 HA ALA A 34 15.603 -6.922 22.101 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.472 -4.479 22.411 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.010 -4.896 20.766 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.334 -4.366 21.047 1.00 0.00 H new ATOM 569 N SER A 35 12.368 -6.596 22.218 1.00 0.00 N ATOM 570 CA SER A 35 11.210 -6.694 23.089 1.00 0.00 C ATOM 571 C SER A 35 11.101 -8.092 23.683 1.00 0.00 C ATOM 572 O SER A 35 10.808 -8.244 24.868 1.00 0.00 O ATOM 573 CB SER A 35 9.954 -6.360 22.283 1.00 0.00 C ATOM 574 OG SER A 35 8.827 -6.315 23.135 1.00 0.00 O ATOM 0 H SER A 35 12.150 -6.640 21.223 1.00 0.00 H new ATOM 0 HA SER A 35 11.317 -5.988 23.912 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.079 -5.400 21.782 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.802 -7.108 21.505 1.00 0.00 H new ATOM 0 HG SER A 35 8.028 -6.099 22.610 1.00 0.00 H new ATOM 580 N LEU A 36 11.342 -9.120 22.862 1.00 0.00 N ATOM 581 CA LEU A 36 11.235 -10.497 23.318 1.00 0.00 C ATOM 582 C LEU A 36 12.486 -10.956 24.058 1.00 0.00 C ATOM 583 O LEU A 36 12.401 -11.867 24.878 1.00 0.00 O ATOM 584 CB LEU A 36 10.876 -11.405 22.136 1.00 0.00 C ATOM 585 CG LEU A 36 11.979 -11.544 21.081 1.00 0.00 C ATOM 586 CD1 LEU A 36 13.011 -12.615 21.430 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.343 -11.963 19.758 1.00 0.00 C ATOM 0 H LEU A 36 11.611 -9.018 21.883 1.00 0.00 H new ATOM 0 HA LEU A 36 10.429 -10.562 24.049 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.629 -12.396 22.518 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.978 -11.016 21.655 1.00 0.00 H new ATOM 0 HG LEU A 36 12.482 -10.578 21.026 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.765 -12.664 20.644 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.490 -12.364 22.377 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.516 -13.582 21.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.118 -12.065 18.998 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.832 -12.917 19.886 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.625 -11.206 19.444 1.00 0.00 H new ATOM 599 N VAL A 37 13.641 -10.343 23.785 1.00 0.00 N ATOM 600 CA VAL A 37 14.886 -10.751 24.426 1.00 0.00 C ATOM 601 C VAL A 37 15.102 -10.012 25.746 1.00 0.00 C ATOM 602 O VAL A 37 15.884 -10.460 26.581 1.00 0.00 O ATOM 603 CB VAL A 37 16.054 -10.620 23.447 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.567 -9.191 23.348 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.214 -11.512 23.877 1.00 0.00 C ATOM 0 H VAL A 37 13.736 -9.568 23.129 1.00 0.00 H new ATOM 0 HA VAL A 37 14.822 -11.806 24.694 1.00 0.00 H new ATOM 0 HB VAL A 37 15.674 -10.926 22.472 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.396 -9.150 22.641 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.764 -8.539 23.004 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.910 -8.859 24.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.036 -11.406 23.169 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.551 -11.217 24.871 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.885 -12.551 23.899 1.00 0.00 H new ATOM 615 N SER A 38 14.412 -8.883 25.954 1.00 0.00 N ATOM 616 CA SER A 38 14.450 -8.183 27.231 1.00 0.00 C ATOM 617 C SER A 38 13.772 -9.028 28.313 1.00 0.00 C ATOM 618 O SER A 38 13.863 -8.726 29.503 1.00 0.00 O ATOM 619 CB SER A 38 13.775 -6.820 27.080 1.00 0.00 C ATOM 620 OG SER A 38 13.871 -6.083 28.278 1.00 0.00 O ATOM 0 H SER A 38 13.822 -8.440 25.250 1.00 0.00 H new ATOM 0 HA SER A 38 15.484 -8.023 27.536 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.242 -6.265 26.267 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.727 -6.955 26.813 1.00 0.00 H new ATOM 0 HG SER A 38 13.881 -6.698 29.041 1.00 0.00 H new ATOM 626 N ARG A 39 13.082 -10.097 27.896 1.00 0.00 N ATOM 627 CA ARG A 39 12.438 -11.043 28.798 1.00 0.00 C ATOM 628 C ARG A 39 13.404 -12.143 29.241 1.00 0.00 C ATOM 629 O ARG A 39 13.053 -12.953 30.096 1.00 0.00 O ATOM 630 CB ARG A 39 11.226 -11.662 28.101 1.00 0.00 C ATOM 631 CG ARG A 39 10.177 -10.611 27.735 1.00 0.00 C ATOM 632 CD ARG A 39 9.080 -11.228 26.868 1.00 0.00 C ATOM 633 NE ARG A 39 8.427 -12.364 27.537 1.00 0.00 N ATOM 634 CZ ARG A 39 8.681 -13.651 27.275 1.00 0.00 C ATOM 635 NH1 ARG A 39 9.588 -13.993 26.361 1.00 0.00 N ATOM 636 NH2 ARG A 39 8.029 -14.607 27.931 1.00 0.00 N ATOM 0 H ARG A 39 12.957 -10.327 26.910 1.00 0.00 H new ATOM 0 HA ARG A 39 12.119 -10.504 29.690 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.552 -12.179 27.198 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.777 -12.411 28.753 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.740 -10.194 28.642 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.650 -9.787 27.201 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.335 -10.469 26.631 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.508 -11.561 25.923 1.00 0.00 H new ATOM 0 HE ARG A 39 7.730 -12.155 28.252 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.097 -13.270 25.852 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.773 -14.978 26.170 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.334 -14.359 28.635 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.224 -15.588 27.730 1.00 0.00 H new ATOM 650 N TYR A 40 14.614 -12.179 28.669 1.00 0.00 N ATOM 651 CA TYR A 40 15.597 -13.211 28.978 1.00 0.00 C ATOM 652 C TYR A 40 16.911 -12.620 29.488 1.00 0.00 C ATOM 653 O TYR A 40 17.739 -13.352 30.020 1.00 0.00 O ATOM 654 CB TYR A 40 15.815 -14.081 27.738 1.00 0.00 C ATOM 655 CG TYR A 40 14.556 -14.777 27.262 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.026 -15.842 28.003 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.922 -14.355 26.085 1.00 0.00 C ATOM 658 CE1 TYR A 40 12.850 -16.476 27.577 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.749 -14.988 25.649 1.00 0.00 C ATOM 660 CZ TYR A 40 12.203 -16.046 26.398 1.00 0.00 C ATOM 661 OH TYR A 40 11.050 -16.652 25.989 1.00 0.00 O ATOM 0 H TYR A 40 14.933 -11.495 27.983 1.00 0.00 H new ATOM 0 HA TYR A 40 15.211 -13.830 29.788 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.205 -13.460 26.932 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.575 -14.831 27.958 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.523 -16.174 28.902 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.338 -13.540 25.512 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.439 -17.293 28.151 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.266 -14.664 24.739 1.00 0.00 H new ATOM 0 HH TYR A 40 10.559 -16.983 26.770 1.00 0.00 H new ATOM 671 N VAL A 41 17.109 -11.305 29.340 1.00 0.00 N ATOM 672 CA VAL A 41 18.257 -10.590 29.899 1.00 0.00 C ATOM 673 C VAL A 41 17.808 -9.205 30.367 1.00 0.00 C ATOM 674 O VAL A 41 16.838 -8.667 29.832 1.00 0.00 O ATOM 675 CB VAL A 41 19.404 -10.462 28.882 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.134 -11.791 28.718 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.912 -9.985 27.517 1.00 0.00 C ATOM 0 H VAL A 41 16.468 -10.703 28.823 1.00 0.00 H new ATOM 0 HA VAL A 41 18.638 -11.163 30.744 1.00 0.00 H new ATOM 0 HB VAL A 41 20.090 -9.714 29.278 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.941 -11.676 27.994 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.549 -12.099 29.678 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.435 -12.549 28.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.756 -9.910 26.832 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.187 -10.697 27.122 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.441 -9.008 27.621 1.00 0.00 H new ATOM 687 N PRO A 42 18.492 -8.617 31.358 1.00 0.00 N ATOM 688 CA PRO A 42 18.162 -7.309 31.899 1.00 0.00 C ATOM 689 C PRO A 42 18.429 -6.209 30.873 1.00 0.00 C ATOM 690 O PRO A 42 19.127 -6.430 29.882 1.00 0.00 O ATOM 691 CB PRO A 42 19.047 -7.149 33.139 1.00 0.00 C ATOM 692 CG PRO A 42 20.268 -7.990 32.786 1.00 0.00 C ATOM 693 CD PRO A 42 19.647 -9.167 32.039 1.00 0.00 C ATOM 0 HA PRO A 42 17.105 -7.228 32.152 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.311 -6.106 33.317 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.552 -7.511 34.040 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.974 -7.440 32.164 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.810 -8.313 33.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.353 -9.600 31.330 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.357 -9.962 32.727 1.00 0.00 H new ATOM 701 N SER A 43 17.871 -5.020 31.110 1.00 0.00 N ATOM 702 CA SER A 43 17.965 -3.902 30.178 1.00 0.00 C ATOM 703 C SER A 43 19.399 -3.400 30.001 1.00 0.00 C ATOM 704 O SER A 43 19.656 -2.597 29.106 1.00 0.00 O ATOM 705 CB SER A 43 17.069 -2.763 30.669 1.00 0.00 C ATOM 706 OG SER A 43 15.744 -3.227 30.821 1.00 0.00 O ATOM 0 H SER A 43 17.341 -4.808 31.956 1.00 0.00 H new ATOM 0 HA SER A 43 17.633 -4.256 29.202 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.441 -2.380 31.619 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.095 -1.936 29.959 1.00 0.00 H new ATOM 0 HG SER A 43 15.175 -2.494 31.137 1.00 0.00 H new ATOM 712 N GLY A 44 20.333 -3.856 30.837 1.00 0.00 N ATOM 713 CA GLY A 44 21.731 -3.466 30.721 1.00 0.00 C ATOM 714 C GLY A 44 22.508 -4.381 29.777 1.00 0.00 C ATOM 715 O GLY A 44 23.575 -4.002 29.296 1.00 0.00 O ATOM 0 H GLY A 44 20.141 -4.499 31.605 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.791 -2.439 30.361 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.195 -3.485 31.707 1.00 0.00 H new ATOM 719 N ASP A 45 21.983 -5.580 29.509 1.00 0.00 N ATOM 720 CA ASP A 45 22.626 -6.554 28.639 1.00 0.00 C ATOM 721 C ASP A 45 21.788 -6.836 27.394 1.00 0.00 C ATOM 722 O ASP A 45 22.228 -7.570 26.508 1.00 0.00 O ATOM 723 CB ASP A 45 22.896 -7.837 29.424 1.00 0.00 C ATOM 724 CG ASP A 45 23.861 -7.607 30.586 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.944 -7.029 30.336 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.513 -8.008 31.720 1.00 0.00 O ATOM 0 H ASP A 45 21.094 -5.899 29.895 1.00 0.00 H new ATOM 0 HA ASP A 45 23.574 -6.140 28.294 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.955 -8.232 29.807 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.309 -8.591 28.754 1.00 0.00 H new ATOM 731 N VAL A 46 20.582 -6.264 27.312 1.00 0.00 N ATOM 732 CA VAL A 46 19.691 -6.508 26.187 1.00 0.00 C ATOM 733 C VAL A 46 20.209 -5.928 24.861 1.00 0.00 C ATOM 734 O VAL A 46 19.939 -6.535 23.828 1.00 0.00 O ATOM 735 CB VAL A 46 18.275 -6.017 26.525 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.111 -4.502 26.466 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.263 -6.640 25.573 1.00 0.00 C ATOM 0 H VAL A 46 20.206 -5.629 28.016 1.00 0.00 H new ATOM 0 HA VAL A 46 19.657 -7.585 26.025 1.00 0.00 H new ATOM 0 HB VAL A 46 18.101 -6.326 27.556 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.084 -4.237 26.717 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.791 -4.034 27.178 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.341 -4.150 25.460 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.263 -6.285 25.822 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.504 -6.356 24.549 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.296 -7.726 25.666 1.00 0.00 H new ATOM 747 N PRO A 47 20.935 -4.798 24.811 1.00 0.00 N ATOM 748 CA PRO A 47 21.352 -4.242 23.530 1.00 0.00 C ATOM 749 C PRO A 47 22.527 -5.013 22.933 1.00 0.00 C ATOM 750 O PRO A 47 22.715 -5.005 21.717 1.00 0.00 O ATOM 751 CB PRO A 47 21.752 -2.805 23.840 1.00 0.00 C ATOM 752 CG PRO A 47 22.307 -2.912 25.257 1.00 0.00 C ATOM 753 CD PRO A 47 21.402 -3.954 25.904 1.00 0.00 C ATOM 0 HA PRO A 47 20.554 -4.303 22.790 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.499 -2.432 23.139 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.900 -2.127 23.789 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.350 -3.227 25.259 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.262 -1.957 25.781 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.945 -4.539 26.647 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.566 -3.482 26.420 1.00 0.00 H new ATOM 761 N ASP A 48 23.321 -5.681 23.773 1.00 0.00 N ATOM 762 CA ASP A 48 24.483 -6.420 23.307 1.00 0.00 C ATOM 763 C ASP A 48 24.069 -7.792 22.780 1.00 0.00 C ATOM 764 O ASP A 48 24.707 -8.326 21.873 1.00 0.00 O ATOM 765 CB ASP A 48 25.474 -6.565 24.464 1.00 0.00 C ATOM 766 CG ASP A 48 26.778 -7.215 24.005 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.491 -6.565 23.208 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.051 -8.353 24.453 1.00 0.00 O ATOM 0 H ASP A 48 23.175 -5.722 24.782 1.00 0.00 H new ATOM 0 HA ASP A 48 24.956 -5.877 22.489 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.685 -5.584 24.889 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.026 -7.165 25.256 1.00 0.00 H new ATOM 773 N VAL A 49 23.001 -8.365 23.344 1.00 0.00 N ATOM 774 CA VAL A 49 22.495 -9.657 22.909 1.00 0.00 C ATOM 775 C VAL A 49 21.696 -9.496 21.618 1.00 0.00 C ATOM 776 O VAL A 49 21.590 -10.445 20.844 1.00 0.00 O ATOM 777 CB VAL A 49 21.667 -10.280 24.041 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.972 -11.562 23.589 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.588 -10.628 25.211 1.00 0.00 C ATOM 0 H VAL A 49 22.471 -7.945 24.108 1.00 0.00 H new ATOM 0 HA VAL A 49 23.319 -10.335 22.689 1.00 0.00 H new ATOM 0 HB VAL A 49 20.911 -9.552 24.337 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.395 -11.975 24.417 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.304 -11.340 22.757 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.720 -12.288 23.270 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.002 -11.071 26.016 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.344 -11.339 24.879 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.075 -9.722 25.572 1.00 0.00 H new ATOM 789 N VAL A 50 21.135 -8.307 21.368 1.00 0.00 N ATOM 790 CA VAL A 50 20.456 -8.026 20.108 1.00 0.00 C ATOM 791 C VAL A 50 21.486 -7.866 19.000 1.00 0.00 C ATOM 792 O VAL A 50 21.236 -8.263 17.862 1.00 0.00 O ATOM 793 CB VAL A 50 19.601 -6.761 20.246 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.092 -6.275 18.889 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.391 -7.058 21.126 1.00 0.00 C ATOM 0 H VAL A 50 21.141 -7.527 22.025 1.00 0.00 H new ATOM 0 HA VAL A 50 19.797 -8.857 19.854 1.00 0.00 H new ATOM 0 HB VAL A 50 20.228 -5.987 20.688 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.490 -5.377 19.027 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.940 -6.048 18.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.483 -7.053 18.429 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.783 -6.159 21.224 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.796 -7.850 20.671 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.728 -7.378 22.112 1.00 0.00 H new ATOM 805 N GLN A 51 22.649 -7.289 19.317 1.00 0.00 N ATOM 806 CA GLN A 51 23.697 -7.135 18.326 1.00 0.00 C ATOM 807 C GLN A 51 24.308 -8.491 18.009 1.00 0.00 C ATOM 808 O GLN A 51 24.560 -8.785 16.845 1.00 0.00 O ATOM 809 CB GLN A 51 24.746 -6.147 18.846 1.00 0.00 C ATOM 810 CG GLN A 51 25.871 -5.964 17.825 1.00 0.00 C ATOM 811 CD GLN A 51 26.861 -4.881 18.241 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.724 -4.262 19.291 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.876 -4.641 17.413 1.00 0.00 N ATOM 0 H GLN A 51 22.879 -6.928 20.243 1.00 0.00 H new ATOM 0 HA GLN A 51 23.283 -6.734 17.401 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.276 -5.185 19.053 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.158 -6.509 19.788 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.401 -6.908 17.699 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.441 -5.708 16.857 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.964 -5.172 16.547 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.566 -3.926 17.645 1.00 0.00 H new ATOM 822 N GLU A 52 24.549 -9.327 19.019 1.00 0.00 N ATOM 823 CA GLU A 52 25.110 -10.644 18.764 1.00 0.00 C ATOM 824 C GLU A 52 24.109 -11.489 17.983 1.00 0.00 C ATOM 825 O GLU A 52 24.504 -12.346 17.198 1.00 0.00 O ATOM 826 CB GLU A 52 25.480 -11.317 20.088 1.00 0.00 C ATOM 827 CG GLU A 52 26.157 -12.664 19.817 1.00 0.00 C ATOM 828 CD GLU A 52 26.606 -13.361 21.105 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.043 -12.651 22.038 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.511 -14.610 21.142 1.00 0.00 O ATOM 0 H GLU A 52 24.367 -9.118 20.001 1.00 0.00 H new ATOM 0 HA GLU A 52 26.016 -10.544 18.166 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.148 -10.673 20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.586 -11.465 20.693 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.467 -13.313 19.278 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.021 -12.510 19.170 1.00 0.00 H new ATOM 837 N ALA A 53 22.810 -11.255 18.192 1.00 0.00 N ATOM 838 CA ALA A 53 21.783 -12.002 17.484 1.00 0.00 C ATOM 839 C ALA A 53 21.749 -11.617 16.007 1.00 0.00 C ATOM 840 O ALA A 53 21.372 -12.438 15.178 1.00 0.00 O ATOM 841 CB ALA A 53 20.428 -11.749 18.146 1.00 0.00 C ATOM 0 H ALA A 53 22.453 -10.556 18.844 1.00 0.00 H new ATOM 0 HA ALA A 53 22.014 -13.066 17.538 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.655 -12.307 17.618 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.465 -12.074 19.186 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.197 -10.684 18.107 1.00 0.00 H new ATOM 847 N PHE A 54 22.137 -10.385 15.659 1.00 0.00 N ATOM 848 CA PHE A 54 22.174 -9.963 14.266 1.00 0.00 C ATOM 849 C PHE A 54 23.489 -10.355 13.601 1.00 0.00 C ATOM 850 O PHE A 54 23.521 -10.584 12.394 1.00 0.00 O ATOM 851 CB PHE A 54 21.928 -8.454 14.176 1.00 0.00 C ATOM 852 CG PHE A 54 20.523 -8.015 14.550 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.416 -8.826 14.245 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.319 -6.787 15.203 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.123 -8.413 14.582 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.022 -6.368 15.527 1.00 0.00 C ATOM 857 CZ PHE A 54 17.927 -7.180 15.216 1.00 0.00 C ATOM 0 H PHE A 54 22.428 -9.669 16.325 1.00 0.00 H new ATOM 0 HA PHE A 54 21.380 -10.477 13.724 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.638 -7.945 14.827 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.137 -8.126 13.158 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.565 -9.773 13.748 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.165 -6.165 15.456 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.277 -9.044 14.354 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.868 -5.418 16.017 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.928 -6.855 15.465 1.00 0.00 H new ATOM 867 N ILE A 55 24.579 -10.447 14.370 1.00 0.00 N ATOM 868 CA ILE A 55 25.850 -10.910 13.832 1.00 0.00 C ATOM 869 C ILE A 55 25.751 -12.416 13.589 1.00 0.00 C ATOM 870 O ILE A 55 26.288 -12.931 12.605 1.00 0.00 O ATOM 871 CB ILE A 55 26.976 -10.570 14.817 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.118 -9.049 14.965 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.296 -11.175 14.327 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.100 -8.673 16.074 1.00 0.00 C ATOM 0 H ILE A 55 24.601 -10.207 15.361 1.00 0.00 H new ATOM 0 HA ILE A 55 26.076 -10.416 12.887 1.00 0.00 H new ATOM 0 HB ILE A 55 26.728 -10.992 15.791 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.456 -8.622 14.021 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.143 -8.613 15.181 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.092 -10.930 15.030 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.195 -12.258 14.255 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.541 -10.768 13.346 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.171 -7.588 16.145 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.748 -9.076 17.024 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.082 -9.086 15.846 1.00 0.00 H new ATOM 886 N LYS A 56 25.063 -13.122 14.491 1.00 0.00 N ATOM 887 CA LYS A 56 24.880 -14.561 14.401 1.00 0.00 C ATOM 888 C LYS A 56 23.823 -14.911 13.361 1.00 0.00 C ATOM 889 O LYS A 56 23.924 -15.947 12.708 1.00 0.00 O ATOM 890 CB LYS A 56 24.482 -15.059 15.790 1.00 0.00 C ATOM 891 CG LYS A 56 24.368 -16.585 15.841 1.00 0.00 C ATOM 892 CD LYS A 56 23.959 -17.031 17.247 1.00 0.00 C ATOM 893 CE LYS A 56 25.010 -16.603 18.272 1.00 0.00 C ATOM 894 NZ LYS A 56 24.612 -16.982 19.642 1.00 0.00 N ATOM 0 H LYS A 56 24.617 -12.702 15.307 1.00 0.00 H new ATOM 0 HA LYS A 56 25.802 -15.045 14.080 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.220 -14.726 16.520 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.529 -14.614 16.075 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.633 -16.928 15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.321 -17.039 15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.993 -16.598 17.506 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.839 -18.114 17.271 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.967 -17.065 18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.154 -15.524 18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.329 -16.648 20.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.694 -16.549 19.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.532 -18.017 19.706 1.00 0.00 H new ATOM 908 N ALA A 57 22.812 -14.053 13.201 1.00 0.00 N ATOM 909 CA ALA A 57 21.767 -14.310 12.227 1.00 0.00 C ATOM 910 C ALA A 57 22.323 -14.198 10.815 1.00 0.00 C ATOM 911 O ALA A 57 21.995 -15.022 9.972 1.00 0.00 O ATOM 912 CB ALA A 57 20.615 -13.326 12.424 1.00 0.00 C ATOM 0 H ALA A 57 22.702 -13.187 13.729 1.00 0.00 H new ATOM 0 HA ALA A 57 21.392 -15.323 12.372 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.836 -13.526 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.206 -13.441 13.428 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.981 -12.307 12.296 1.00 0.00 H new ATOM 918 N TYR A 58 23.161 -13.198 10.536 1.00 0.00 N ATOM 919 CA TYR A 58 23.677 -12.998 9.192 1.00 0.00 C ATOM 920 C TYR A 58 24.501 -14.195 8.724 1.00 0.00 C ATOM 921 O TYR A 58 24.421 -14.596 7.564 1.00 0.00 O ATOM 922 CB TYR A 58 24.542 -11.741 9.185 1.00 0.00 C ATOM 923 CG TYR A 58 25.016 -11.356 7.805 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.088 -10.930 6.845 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.381 -11.428 7.490 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.527 -10.549 5.569 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.826 -11.056 6.212 1.00 0.00 C ATOM 928 CZ TYR A 58 25.898 -10.613 5.249 1.00 0.00 C ATOM 929 OH TYR A 58 26.323 -10.249 4.006 1.00 0.00 O ATOM 0 H TYR A 58 23.492 -12.520 11.223 1.00 0.00 H new ATOM 0 HA TYR A 58 22.837 -12.889 8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.974 -10.914 9.611 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.407 -11.899 9.829 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.036 -10.895 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.089 -11.770 8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.815 -10.207 4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.877 -11.109 5.968 1.00 0.00 H new ATOM 0 HH TYR A 58 27.296 -10.351 3.950 1.00 0.00 H new ATOM 939 N ARG A 59 25.293 -14.771 9.634 1.00 0.00 N ATOM 940 CA ARG A 59 26.140 -15.916 9.329 1.00 0.00 C ATOM 941 C ARG A 59 25.311 -17.176 9.116 1.00 0.00 C ATOM 942 O ARG A 59 25.750 -18.096 8.425 1.00 0.00 O ATOM 943 CB ARG A 59 27.115 -16.105 10.489 1.00 0.00 C ATOM 944 CG ARG A 59 28.061 -14.909 10.596 1.00 0.00 C ATOM 945 CD ARG A 59 28.835 -15.010 11.908 1.00 0.00 C ATOM 946 NE ARG A 59 29.869 -13.976 12.001 1.00 0.00 N ATOM 947 CZ ARG A 59 31.119 -14.114 11.546 1.00 0.00 C ATOM 948 NH1 ARG A 59 31.515 -15.244 10.966 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.984 -13.112 11.673 1.00 0.00 N ATOM 0 H ARG A 59 25.361 -14.453 10.601 1.00 0.00 H new ATOM 0 HA ARG A 59 26.684 -15.732 8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.562 -16.223 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.691 -17.019 10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.750 -14.896 9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.497 -13.977 10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.146 -14.914 12.747 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.296 -15.995 11.985 1.00 0.00 H new ATOM 0 HE ARG A 59 29.619 -13.091 12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 59 30.862 -16.021 10.863 1.00 0.00 H new ATOM 0 HH12 ARG A 59 32.472 -15.334 10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.694 -12.241 12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.938 -13.215 11.327 1.00 0.00 H new ATOM 963 N ALA A 60 24.115 -17.220 9.708 1.00 0.00 N ATOM 964 CA ALA A 60 23.183 -18.327 9.543 1.00 0.00 C ATOM 965 C ALA A 60 22.163 -18.039 8.439 1.00 0.00 C ATOM 966 O ALA A 60 21.444 -18.945 8.015 1.00 0.00 O ATOM 967 CB ALA A 60 22.489 -18.584 10.882 1.00 0.00 C ATOM 0 H ALA A 60 23.768 -16.481 10.319 1.00 0.00 H new ATOM 0 HA ALA A 60 23.731 -19.218 9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.787 -19.411 10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.235 -18.836 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.950 -17.688 11.190 1.00 0.00 H new ATOM 973 N LEU A 61 22.090 -16.792 7.967 1.00 0.00 N ATOM 974 CA LEU A 61 21.126 -16.382 6.960 1.00 0.00 C ATOM 975 C LEU A 61 21.537 -16.900 5.588 1.00 0.00 C ATOM 976 O LEU A 61 20.694 -17.076 4.710 1.00 0.00 O ATOM 977 CB LEU A 61 21.050 -14.852 6.958 1.00 0.00 C ATOM 978 CG LEU A 61 19.840 -14.342 6.181 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.546 -14.699 6.900 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.934 -12.828 6.081 1.00 0.00 C ATOM 0 H LEU A 61 22.704 -16.039 8.278 1.00 0.00 H new ATOM 0 HA LEU A 61 20.146 -16.799 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.001 -14.490 7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.961 -14.444 6.520 1.00 0.00 H new ATOM 0 HG LEU A 61 19.834 -14.803 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.697 -14.325 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.470 -15.782 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.543 -14.245 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.076 -12.446 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.942 -12.397 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.852 -12.554 5.561 1.00 0.00 H new ATOM 992 N ASP A 62 22.836 -17.150 5.399 1.00 0.00 N ATOM 993 CA ASP A 62 23.339 -17.769 4.182 1.00 0.00 C ATOM 994 C ASP A 62 22.851 -19.217 4.070 1.00 0.00 C ATOM 995 O ASP A 62 23.003 -19.846 3.025 1.00 0.00 O ATOM 996 CB ASP A 62 24.865 -17.701 4.198 1.00 0.00 C ATOM 997 CG ASP A 62 25.472 -18.225 2.898 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.180 -17.625 1.840 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.225 -19.222 2.973 1.00 0.00 O ATOM 0 H ASP A 62 23.559 -16.929 6.083 1.00 0.00 H new ATOM 0 HA ASP A 62 22.962 -17.234 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.181 -16.670 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.246 -18.283 5.037 1.00 0.00 H new ATOM 1004 N SER A 63 22.265 -19.744 5.150 1.00 0.00 N ATOM 1005 CA SER A 63 21.731 -21.095 5.195 1.00 0.00 C ATOM 1006 C SER A 63 20.204 -21.097 5.276 1.00 0.00 C ATOM 1007 O SER A 63 19.597 -22.163 5.367 1.00 0.00 O ATOM 1008 CB SER A 63 22.338 -21.846 6.377 1.00 0.00 C ATOM 1009 OG SER A 63 23.747 -21.870 6.272 1.00 0.00 O ATOM 0 H SER A 63 22.150 -19.232 6.025 1.00 0.00 H new ATOM 0 HA SER A 63 22.002 -21.602 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.044 -21.366 7.311 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.951 -22.865 6.407 1.00 0.00 H new ATOM 0 HG SER A 63 24.124 -22.353 7.037 1.00 0.00 H new ATOM 1015 N PHE A 64 19.575 -19.919 5.248 1.00 0.00 N ATOM 1016 CA PHE A 64 18.126 -19.798 5.247 1.00 0.00 C ATOM 1017 C PHE A 64 17.580 -20.217 3.883 1.00 0.00 C ATOM 1018 O PHE A 64 18.206 -19.955 2.855 1.00 0.00 O ATOM 1019 CB PHE A 64 17.738 -18.363 5.590 1.00 0.00 C ATOM 1020 CG PHE A 64 16.248 -18.132 5.659 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.512 -18.636 6.741 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.598 -17.414 4.645 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.129 -18.422 6.807 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.217 -17.199 4.711 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.482 -17.704 5.795 1.00 0.00 C ATOM 0 H PHE A 64 20.063 -19.024 5.225 1.00 0.00 H new ATOM 0 HA PHE A 64 17.692 -20.456 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.182 -18.096 6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.165 -17.693 4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.011 -19.189 7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.165 -17.026 3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.562 -18.811 7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.718 -16.646 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.416 -17.538 5.848 1.00 0.00 H new ATOM 1099 N PHE A 70 10.489 -15.667 8.143 1.00 0.00 N ATOM 1100 CA PHE A 70 11.735 -15.043 8.562 1.00 0.00 C ATOM 1101 C PHE A 70 11.651 -14.518 9.990 1.00 0.00 C ATOM 1102 O PHE A 70 12.645 -14.564 10.714 1.00 0.00 O ATOM 1103 CB PHE A 70 12.083 -13.896 7.616 1.00 0.00 C ATOM 1104 CG PHE A 70 13.326 -13.153 8.054 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.572 -13.796 8.024 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.235 -11.829 8.500 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.721 -13.117 8.453 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.388 -11.147 8.920 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.630 -11.791 8.898 1.00 0.00 C ATOM 0 HA PHE A 70 12.515 -15.804 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.232 -14.289 6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.245 -13.201 7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.646 -14.814 7.671 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.277 -11.332 8.521 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.678 -13.617 8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.316 -10.125 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.517 -11.267 9.223 1.00 0.00 H new ATOM 1119 N TYR A 71 10.486 -14.022 10.418 1.00 0.00 N ATOM 1120 CA TYR A 71 10.371 -13.478 11.758 1.00 0.00 C ATOM 1121 C TYR A 71 10.464 -14.593 12.797 1.00 0.00 C ATOM 1122 O TYR A 71 11.045 -14.392 13.860 1.00 0.00 O ATOM 1123 CB TYR A 71 9.077 -12.676 11.897 1.00 0.00 C ATOM 1124 CG TYR A 71 7.799 -13.476 11.772 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.264 -14.115 12.900 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.144 -13.573 10.533 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.070 -14.843 12.798 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.952 -14.298 10.425 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.407 -14.936 11.556 1.00 0.00 C ATOM 1130 OH TYR A 71 4.247 -15.642 11.445 1.00 0.00 O ATOM 0 H TYR A 71 9.631 -13.989 9.863 1.00 0.00 H new ATOM 0 HA TYR A 71 11.202 -12.795 11.937 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.081 -12.179 12.867 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.071 -11.894 11.138 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.773 -14.046 13.850 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.561 -13.088 9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.658 -15.332 13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.449 -14.368 9.472 1.00 0.00 H new ATOM 0 HH TYR A 71 3.926 -15.600 10.520 1.00 0.00 H new ATOM 1140 N THR A 72 9.905 -15.770 12.505 1.00 0.00 N ATOM 1141 CA THR A 72 9.970 -16.893 13.429 1.00 0.00 C ATOM 1142 C THR A 72 11.398 -17.425 13.491 1.00 0.00 C ATOM 1143 O THR A 72 11.854 -17.877 14.540 1.00 0.00 O ATOM 1144 CB THR A 72 9.014 -17.996 12.964 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.725 -17.462 12.755 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.920 -19.110 14.004 1.00 0.00 C ATOM 0 H THR A 72 9.405 -15.965 11.638 1.00 0.00 H new ATOM 0 HA THR A 72 9.673 -16.563 14.425 1.00 0.00 H new ATOM 0 HB THR A 72 9.405 -18.407 12.033 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.722 -16.511 12.993 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.235 -19.881 13.651 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.907 -19.545 14.161 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.551 -18.700 14.944 1.00 0.00 H new ATOM 1154 N TRP A 73 12.103 -17.370 12.362 1.00 0.00 N ATOM 1155 CA TRP A 73 13.465 -17.854 12.260 1.00 0.00 C ATOM 1156 C TRP A 73 14.451 -16.879 12.903 1.00 0.00 C ATOM 1157 O TRP A 73 15.516 -17.292 13.357 1.00 0.00 O ATOM 1158 CB TRP A 73 13.791 -18.057 10.782 1.00 0.00 C ATOM 1159 CG TRP A 73 15.204 -18.455 10.510 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.652 -19.718 10.330 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.377 -17.595 10.387 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.015 -19.700 10.108 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.517 -18.417 10.157 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.596 -16.204 10.458 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.806 -17.894 10.026 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.885 -15.670 10.323 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.987 -16.509 10.117 1.00 0.00 C ATOM 0 H TRP A 73 11.737 -16.985 11.491 1.00 0.00 H new ATOM 0 HA TRP A 73 13.557 -18.798 12.797 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.127 -18.821 10.378 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.577 -17.133 10.245 1.00 0.00 H new ATOM 0 HD1 TRP A 73 15.037 -20.606 10.356 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.579 -20.531 9.930 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.759 -15.541 10.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.649 -18.548 9.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.030 -14.601 10.378 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.977 -16.087 10.028 1.00 0.00 H new ATOM 1178 N LEU A 74 14.109 -15.589 12.951 1.00 0.00 N ATOM 1179 CA LEU A 74 14.971 -14.580 13.542 1.00 0.00 C ATOM 1180 C LEU A 74 14.745 -14.471 15.049 1.00 0.00 C ATOM 1181 O LEU A 74 15.691 -14.233 15.800 1.00 0.00 O ATOM 1182 CB LEU A 74 14.708 -13.250 12.835 1.00 0.00 C ATOM 1183 CG LEU A 74 15.620 -12.123 13.338 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.092 -12.450 13.096 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.270 -10.840 12.591 1.00 0.00 C ATOM 0 H LEU A 74 13.231 -15.223 12.582 1.00 0.00 H new ATOM 0 HA LEU A 74 16.015 -14.862 13.408 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.853 -13.378 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.667 -12.963 12.984 1.00 0.00 H new ATOM 0 HG LEU A 74 15.466 -12.005 14.411 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.712 -11.632 13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.352 -13.368 13.623 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.264 -12.584 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.911 -10.030 12.939 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.421 -10.989 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.227 -10.583 12.778 1.00 0.00 H new ATOM 1197 N TYR A 75 13.499 -14.649 15.502 1.00 0.00 N ATOM 1198 CA TYR A 75 13.195 -14.567 16.923 1.00 0.00 C ATOM 1199 C TYR A 75 13.916 -15.680 17.681 1.00 0.00 C ATOM 1200 O TYR A 75 14.272 -15.495 18.846 1.00 0.00 O ATOM 1201 CB TYR A 75 11.686 -14.705 17.147 1.00 0.00 C ATOM 1202 CG TYR A 75 10.809 -13.582 16.631 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.353 -12.417 16.064 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.414 -13.720 16.726 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.510 -11.399 15.598 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.566 -12.709 16.257 1.00 0.00 C ATOM 1207 CZ TYR A 75 9.112 -11.541 15.691 1.00 0.00 C ATOM 1208 OH TYR A 75 8.291 -10.555 15.233 1.00 0.00 O ATOM 0 H TYR A 75 12.696 -14.849 14.906 1.00 0.00 H new ATOM 0 HA TYR A 75 13.532 -13.598 17.293 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.358 -15.633 16.680 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.510 -14.807 18.218 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.424 -12.306 15.987 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.992 -14.613 17.164 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.933 -10.504 15.167 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.495 -12.825 16.329 1.00 0.00 H new ATOM 0 HH TYR A 75 7.357 -10.816 15.373 1.00 0.00 H new ATOM 1218 N ARG A 76 14.141 -16.833 17.040 1.00 0.00 N ATOM 1219 CA ARG A 76 14.838 -17.938 17.687 1.00 0.00 C ATOM 1220 C ARG A 76 16.338 -17.675 17.799 1.00 0.00 C ATOM 1221 O ARG A 76 16.994 -18.275 18.648 1.00 0.00 O ATOM 1222 CB ARG A 76 14.546 -19.265 16.986 1.00 0.00 C ATOM 1223 CG ARG A 76 14.910 -19.217 15.507 1.00 0.00 C ATOM 1224 CD ARG A 76 14.655 -20.577 14.862 1.00 0.00 C ATOM 1225 NE ARG A 76 15.630 -21.581 15.304 1.00 0.00 N ATOM 1226 CZ ARG A 76 16.864 -21.698 14.803 1.00 0.00 C ATOM 1227 NH1 ARG A 76 17.299 -20.877 13.852 1.00 0.00 N ATOM 1228 NH2 ARG A 76 17.678 -22.647 15.257 1.00 0.00 N ATOM 0 H ARG A 76 13.851 -17.019 16.080 1.00 0.00 H new ATOM 0 HA ARG A 76 14.454 -18.014 18.704 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.106 -20.064 17.472 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.489 -19.507 17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.321 -18.450 15.004 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.958 -18.941 15.391 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.648 -20.914 15.110 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.700 -20.479 13.777 1.00 0.00 H new ATOM 0 HE ARG A 76 15.349 -22.230 16.039 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.688 -20.143 13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.244 -20.981 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.361 -23.285 15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.620 -22.737 14.875 1.00 0.00 H new ATOM 1242 N ILE A 77 16.901 -16.792 16.963 1.00 0.00 N ATOM 1243 CA ILE A 77 18.316 -16.466 17.090 1.00 0.00 C ATOM 1244 C ILE A 77 18.540 -15.653 18.365 1.00 0.00 C ATOM 1245 O ILE A 77 19.546 -15.830 19.046 1.00 0.00 O ATOM 1246 CB ILE A 77 18.817 -15.663 15.879 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.478 -16.306 14.527 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.333 -15.479 15.982 1.00 0.00 C ATOM 1249 CD1 ILE A 77 19.046 -17.712 14.350 1.00 0.00 C ATOM 0 H ILE A 77 16.409 -16.306 16.213 1.00 0.00 H new ATOM 0 HA ILE A 77 18.876 -17.400 17.136 1.00 0.00 H new ATOM 0 HB ILE A 77 18.299 -14.704 15.909 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.394 -16.346 14.417 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.856 -15.669 13.728 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.690 -14.910 15.124 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.573 -14.941 16.899 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.818 -16.455 15.997 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.763 -18.098 13.371 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.133 -17.678 14.427 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.648 -18.366 15.126 1.00 0.00 H new ATOM 1261 N ALA A 78 17.600 -14.760 18.694 1.00 0.00 N ATOM 1262 CA ALA A 78 17.774 -13.845 19.807 1.00 0.00 C ATOM 1263 C ALA A 78 17.555 -14.514 21.165 1.00 0.00 C ATOM 1264 O ALA A 78 18.265 -14.196 22.119 1.00 0.00 O ATOM 1265 CB ALA A 78 16.823 -12.662 19.621 1.00 0.00 C ATOM 0 H ALA A 78 16.714 -14.658 18.200 1.00 0.00 H new ATOM 0 HA ALA A 78 18.808 -13.501 19.808 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.942 -11.965 20.451 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.053 -12.154 18.684 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.795 -13.022 19.595 1.00 0.00 H new ATOM 1271 N VAL A 79 16.593 -15.436 21.273 1.00 0.00 N ATOM 1272 CA VAL A 79 16.318 -16.085 22.552 1.00 0.00 C ATOM 1273 C VAL A 79 17.335 -17.184 22.847 1.00 0.00 C ATOM 1274 O VAL A 79 17.627 -17.460 24.010 1.00 0.00 O ATOM 1275 CB VAL A 79 14.881 -16.612 22.586 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.652 -17.680 21.521 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.555 -17.218 23.952 1.00 0.00 C ATOM 0 H VAL A 79 16.002 -15.744 20.501 1.00 0.00 H new ATOM 0 HA VAL A 79 16.419 -15.342 23.343 1.00 0.00 H new ATOM 0 HB VAL A 79 14.229 -15.760 22.390 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.622 -18.032 21.574 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.841 -17.256 20.535 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.330 -18.516 21.693 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.529 -17.585 23.951 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.236 -18.044 24.155 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.667 -16.457 24.724 1.00 0.00 H new ATOM 1287 N ASN A 80 17.890 -17.819 21.810 1.00 0.00 N ATOM 1288 CA ASN A 80 18.899 -18.848 22.012 1.00 0.00 C ATOM 1289 C ASN A 80 20.239 -18.203 22.367 1.00 0.00 C ATOM 1290 O ASN A 80 21.078 -18.833 23.010 1.00 0.00 O ATOM 1291 CB ASN A 80 19.010 -19.714 20.754 1.00 0.00 C ATOM 1292 CG ASN A 80 17.772 -20.573 20.526 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.878 -20.634 21.366 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.712 -21.248 19.383 1.00 0.00 N ATOM 0 H ASN A 80 17.657 -17.637 20.834 1.00 0.00 H new ATOM 0 HA ASN A 80 18.607 -19.491 22.843 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.167 -19.072 19.887 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.885 -20.358 20.836 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.906 -21.839 19.182 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.472 -21.175 18.707 1.00 0.00 H new ATOM 1301 N THR A 81 20.449 -16.947 21.960 1.00 0.00 N ATOM 1302 CA THR A 81 21.674 -16.232 22.294 1.00 0.00 C ATOM 1303 C THR A 81 21.596 -15.687 23.717 1.00 0.00 C ATOM 1304 O THR A 81 22.623 -15.576 24.382 1.00 0.00 O ATOM 1305 CB THR A 81 21.913 -15.113 21.278 1.00 0.00 C ATOM 1306 OG1 THR A 81 22.072 -15.678 19.995 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.188 -14.343 21.605 1.00 0.00 C ATOM 0 H THR A 81 19.786 -16.410 21.401 1.00 0.00 H new ATOM 0 HA THR A 81 22.519 -16.919 22.249 1.00 0.00 H new ATOM 0 HB THR A 81 21.058 -14.437 21.311 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.191 -15.833 19.594 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.335 -13.553 20.868 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.102 -13.901 22.598 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.040 -15.023 21.583 1.00 0.00 H new ATOM 1315 N ALA A 82 20.395 -15.347 24.197 1.00 0.00 N ATOM 1316 CA ALA A 82 20.231 -14.796 25.535 1.00 0.00 C ATOM 1317 C ALA A 82 20.410 -15.877 26.598 1.00 0.00 C ATOM 1318 O ALA A 82 20.929 -15.603 27.678 1.00 0.00 O ATOM 1319 CB ALA A 82 18.841 -14.177 25.631 1.00 0.00 C ATOM 0 H ALA A 82 19.525 -15.446 23.674 1.00 0.00 H new ATOM 0 HA ALA A 82 20.992 -14.036 25.713 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.697 -13.758 26.627 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.743 -13.387 24.887 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.088 -14.943 25.448 1.00 0.00 H new ATOM 1325 N LYS A 83 19.982 -17.108 26.297 1.00 0.00 N ATOM 1326 CA LYS A 83 20.130 -18.218 27.222 1.00 0.00 C ATOM 1327 C LYS A 83 21.567 -18.730 27.208 1.00 0.00 C ATOM 1328 O LYS A 83 22.033 -19.267 28.208 1.00 0.00 O ATOM 1329 CB LYS A 83 19.130 -19.315 26.856 1.00 0.00 C ATOM 1330 CG LYS A 83 17.708 -18.823 27.132 1.00 0.00 C ATOM 1331 CD LYS A 83 16.692 -19.864 26.669 1.00 0.00 C ATOM 1332 CE LYS A 83 15.269 -19.404 26.988 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.023 -19.370 28.441 1.00 0.00 N ATOM 0 H LYS A 83 19.530 -17.353 25.416 1.00 0.00 H new ATOM 0 HA LYS A 83 19.917 -17.886 28.238 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.236 -19.582 25.805 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.334 -20.215 27.436 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.582 -18.630 28.197 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.535 -17.879 26.614 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.795 -20.029 25.597 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.891 -20.817 27.159 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.104 -18.412 26.567 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.554 -20.075 26.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.002 -19.288 28.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.381 -20.245 28.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.513 -18.553 28.857 1.00 0.00 H new ATOM 1347 N ASN A 84 22.269 -18.566 26.082 1.00 0.00 N ATOM 1348 CA ASN A 84 23.669 -18.954 25.989 1.00 0.00 C ATOM 1349 C ASN A 84 24.559 -17.879 26.613 1.00 0.00 C ATOM 1350 O ASN A 84 25.662 -18.169 27.070 1.00 0.00 O ATOM 1351 CB ASN A 84 24.022 -19.171 24.515 1.00 0.00 C ATOM 1352 CG ASN A 84 25.406 -19.782 24.340 1.00 0.00 C ATOM 1353 OD1 ASN A 84 25.922 -20.452 25.230 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.023 -19.552 23.184 1.00 0.00 N ATOM 0 H ASN A 84 21.885 -18.167 25.225 1.00 0.00 H new ATOM 0 HA ASN A 84 23.836 -19.881 26.538 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.278 -19.823 24.057 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.978 -18.218 23.988 1.00 0.00 H new ATOM 0 HD21 ASN A 84 26.953 -19.937 23.017 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.566 -18.991 22.465 1.00 0.00 H new