USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 849 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 57 HIS : no HD1:sc= -0.0598 X(o=-0.28,f=-0.18) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.219 X(o=-0.28,f=-0.18) USER MOD Set 2.1: A 14 GLN :FLIP amide:sc= 0.53 F(o=-1.3,f=-0.28) USER MOD Set 2.2: A 33 SER OG : rot 115:sc= -0.81 USER MOD Single : A 4 THR OG1 : rot -17:sc= 0.568 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.01 (180deg=-0.173) USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.643 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -0.0195 (180deg=-0.474) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 15 GLN : amide:sc= -0.961 K(o=-0.96,f=-5.6!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0163) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc= -0.0426 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= -2.09! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.594 K(o=-0.59,f=-5.3!) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.538 F(o=-1.1,f=-0.54) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 45:sc= 0.521 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -0.0172 X(o=-0.017,f=-0.069) USER MOD Single : A 119 GLN : amide:sc= -0.74 K(o=-0.74,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 9.397 21.657 4.482 1.00 0.00 N ATOM 47 CA THR A 4 9.660 20.355 5.093 1.00 0.00 C ATOM 48 C THR A 4 9.076 19.232 4.240 1.00 0.00 C ATOM 49 O THR A 4 8.268 19.478 3.342 1.00 0.00 O ATOM 50 CB THR A 4 9.076 20.291 6.511 1.00 0.00 C ATOM 51 OG1 THR A 4 7.935 21.123 6.629 1.00 0.00 O ATOM 52 CG2 THR A 4 10.060 20.706 7.588 1.00 0.00 C ATOM 0 HA THR A 4 10.741 20.225 5.154 1.00 0.00 H new ATOM 0 HB THR A 4 8.816 19.243 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.917 21.761 5.885 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.581 20.637 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.927 20.047 7.562 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.380 21.733 7.412 1.00 0.00 H new ATOM 60 N VAL A 5 9.485 17.999 4.529 1.00 0.00 N ATOM 61 CA VAL A 5 8.994 16.844 3.791 1.00 0.00 C ATOM 62 C VAL A 5 8.623 15.711 4.744 1.00 0.00 C ATOM 63 O VAL A 5 9.473 15.199 5.478 1.00 0.00 O ATOM 64 CB VAL A 5 10.037 16.336 2.773 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.450 15.231 1.910 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.548 17.479 1.906 1.00 0.00 C ATOM 0 H VAL A 5 10.153 17.777 5.267 1.00 0.00 H new ATOM 0 HA VAL A 5 8.106 17.165 3.247 1.00 0.00 H new ATOM 0 HB VAL A 5 10.881 15.926 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.201 14.887 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.142 14.399 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.585 15.613 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.282 17.097 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.715 17.924 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.014 18.235 2.538 1.00 0.00 H new ATOM 76 N LYS A 6 7.349 15.327 4.719 1.00 0.00 N ATOM 77 CA LYS A 6 6.845 14.257 5.572 1.00 0.00 C ATOM 78 C LYS A 6 5.899 13.346 4.791 1.00 0.00 C ATOM 79 O LYS A 6 4.763 13.723 4.498 1.00 0.00 O ATOM 80 CB LYS A 6 6.127 14.839 6.793 1.00 0.00 C ATOM 81 CG LYS A 6 6.609 14.265 8.117 1.00 0.00 C ATOM 82 CD LYS A 6 5.820 14.824 9.293 1.00 0.00 C ATOM 83 CE LYS A 6 6.174 16.279 9.565 1.00 0.00 C ATOM 84 NZ LYS A 6 7.566 16.433 10.081 1.00 0.00 N ATOM 0 H LYS A 6 6.644 15.745 4.112 1.00 0.00 H new ATOM 0 HA LYS A 6 7.694 13.665 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.266 15.920 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.057 14.656 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.515 13.179 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.667 14.491 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.753 14.741 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.021 14.228 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.063 16.856 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.472 16.693 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.687 17.389 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.740 15.729 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.242 16.289 9.304 1.00 0.00 H new ATOM 98 N ARG A 7 6.377 12.147 4.460 1.00 0.00 N ATOM 99 CA ARG A 7 5.576 11.171 3.718 1.00 0.00 C ATOM 100 C ARG A 7 5.488 9.854 4.484 1.00 0.00 C ATOM 101 O ARG A 7 6.224 9.635 5.447 1.00 0.00 O ATOM 102 CB ARG A 7 6.181 10.923 2.331 1.00 0.00 C ATOM 103 CG ARG A 7 6.058 12.103 1.380 1.00 0.00 C ATOM 104 CD ARG A 7 7.423 12.683 1.046 1.00 0.00 C ATOM 105 NE ARG A 7 7.500 13.180 -0.328 1.00 0.00 N ATOM 106 CZ ARG A 7 8.647 13.405 -0.977 1.00 0.00 C ATOM 107 NH1 ARG A 7 9.815 13.151 -0.393 1.00 0.00 N ATOM 108 NH2 ARG A 7 8.623 13.882 -2.214 1.00 0.00 N ATOM 0 H ARG A 7 7.317 11.827 4.694 1.00 0.00 H new ATOM 0 HA ARG A 7 4.572 11.578 3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.235 10.671 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.693 10.057 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.561 11.785 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.433 12.874 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.647 13.496 1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.185 11.919 1.196 1.00 0.00 H new ATOM 0 HE ARG A 7 6.626 13.366 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.840 12.782 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.685 13.326 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.731 14.076 -2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.497 14.054 -2.711 1.00 0.00 H new ATOM 122 N THR A 8 4.585 8.977 4.047 1.00 0.00 N ATOM 123 CA THR A 8 4.400 7.675 4.690 1.00 0.00 C ATOM 124 C THR A 8 3.339 6.857 3.959 1.00 0.00 C ATOM 125 O THR A 8 2.258 7.362 3.650 1.00 0.00 O ATOM 126 CB THR A 8 4.013 7.847 6.168 1.00 0.00 C ATOM 127 OG1 THR A 8 3.685 6.598 6.761 1.00 0.00 O ATOM 128 CG2 THR A 8 2.839 8.778 6.380 1.00 0.00 C ATOM 0 H THR A 8 3.970 9.144 3.251 1.00 0.00 H new ATOM 0 HA THR A 8 5.347 7.138 4.640 1.00 0.00 H new ATOM 0 HB THR A 8 4.893 8.285 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.279 5.903 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.621 8.852 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.083 9.766 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.966 8.387 5.858 1.00 0.00 H new ATOM 136 N ILE A 9 3.652 5.587 3.692 1.00 0.00 N ATOM 137 CA ILE A 9 2.722 4.699 3.006 1.00 0.00 C ATOM 138 C ILE A 9 2.116 3.691 3.979 1.00 0.00 C ATOM 139 O ILE A 9 2.826 2.879 4.579 1.00 0.00 O ATOM 140 CB ILE A 9 3.397 3.953 1.829 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.349 3.183 1.020 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.492 3.011 2.326 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.619 3.166 -0.469 1.00 0.00 C ATOM 0 H ILE A 9 4.542 5.155 3.941 1.00 0.00 H new ATOM 0 HA ILE A 9 1.928 5.324 2.598 1.00 0.00 H new ATOM 0 HB ILE A 9 3.866 4.694 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.305 2.156 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.369 3.626 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.947 2.502 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.253 3.585 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.059 2.273 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.835 2.602 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.633 4.188 -0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.584 2.695 -0.658 1.00 0.00 H new ATOM 155 N ARG A 10 0.795 3.750 4.130 1.00 0.00 N ATOM 156 CA ARG A 10 0.079 2.850 5.023 1.00 0.00 C ATOM 157 C ARG A 10 -0.884 1.964 4.236 1.00 0.00 C ATOM 158 O ARG A 10 -1.923 2.428 3.762 1.00 0.00 O ATOM 159 CB ARG A 10 -0.686 3.648 6.083 1.00 0.00 C ATOM 160 CG ARG A 10 -1.394 2.777 7.110 1.00 0.00 C ATOM 161 CD ARG A 10 -1.848 3.581 8.317 1.00 0.00 C ATOM 162 NE ARG A 10 -2.246 2.717 9.429 1.00 0.00 N ATOM 163 CZ ARG A 10 -3.028 3.103 10.441 1.00 0.00 C ATOM 164 NH1 ARG A 10 -3.486 4.353 10.509 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.348 2.235 11.393 1.00 0.00 N ATOM 0 H ARG A 10 0.198 4.417 3.641 1.00 0.00 H new ATOM 0 HA ARG A 10 0.808 2.212 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.009 4.310 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.422 4.282 5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.257 2.298 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.724 1.981 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.041 4.239 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.686 4.218 8.034 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.904 1.756 9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.240 5.026 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.082 4.636 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.997 1.278 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.945 2.525 12.168 1.00 0.00 H new ATOM 179 N ILE A 11 -0.531 0.687 4.104 1.00 0.00 N ATOM 180 CA ILE A 11 -1.364 -0.270 3.376 1.00 0.00 C ATOM 181 C ILE A 11 -1.993 -1.282 4.332 1.00 0.00 C ATOM 182 O ILE A 11 -1.319 -1.803 5.224 1.00 0.00 O ATOM 183 CB ILE A 11 -0.556 -1.024 2.294 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.705 -1.654 2.902 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.190 -0.082 1.154 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.826 -3.142 2.649 1.00 0.00 C ATOM 0 H ILE A 11 0.325 0.290 4.491 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.151 0.303 2.886 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.177 -1.825 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.583 -1.153 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.707 -1.476 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.378 -0.627 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.100 0.316 0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.414 0.739 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.741 -3.516 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.033 -3.656 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.857 -3.327 1.575 1.00 0.00 H new ATOM 198 N LYS A 12 -3.287 -1.549 4.149 1.00 0.00 N ATOM 199 CA LYS A 12 -4.007 -2.492 5.004 1.00 0.00 C ATOM 200 C LYS A 12 -4.577 -3.648 4.185 1.00 0.00 C ATOM 201 O LYS A 12 -5.089 -3.445 3.084 1.00 0.00 O ATOM 202 CB LYS A 12 -5.133 -1.773 5.750 1.00 0.00 C ATOM 203 CG LYS A 12 -4.668 -1.034 6.996 1.00 0.00 C ATOM 204 CD LYS A 12 -4.060 0.319 6.652 1.00 0.00 C ATOM 205 CE LYS A 12 -5.068 1.447 6.818 1.00 0.00 C ATOM 206 NZ LYS A 12 -5.395 1.701 8.249 1.00 0.00 N ATOM 0 H LYS A 12 -3.857 -1.126 3.417 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.302 -2.901 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.609 -1.063 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.892 -2.502 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.511 -0.893 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.933 -1.640 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.198 0.504 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.696 0.304 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.669 2.358 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.981 1.199 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.733 2.678 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.137 1.041 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.544 1.561 8.830 1.00 0.00 H new ATOM 220 N THR A 13 -4.474 -4.860 4.730 1.00 0.00 N ATOM 221 CA THR A 13 -4.968 -6.055 4.052 1.00 0.00 C ATOM 222 C THR A 13 -5.619 -7.022 5.041 1.00 0.00 C ATOM 223 O THR A 13 -4.941 -7.581 5.908 1.00 0.00 O ATOM 224 CB THR A 13 -3.822 -6.766 3.322 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.868 -5.835 2.835 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.288 -7.605 2.151 1.00 0.00 C ATOM 0 H THR A 13 -4.052 -5.039 5.641 1.00 0.00 H new ATOM 0 HA THR A 13 -5.719 -5.739 3.329 1.00 0.00 H new ATOM 0 HB THR A 13 -3.376 -7.424 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.148 -6.315 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.428 -8.080 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.978 -8.372 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.794 -6.968 1.426 1.00 0.00 H new ATOM 234 N GLN A 14 -6.930 -7.220 4.908 1.00 0.00 N ATOM 235 CA GLN A 14 -7.659 -8.127 5.791 1.00 0.00 C ATOM 236 C GLN A 14 -8.458 -9.151 4.988 1.00 0.00 C ATOM 237 O GLN A 14 -8.930 -8.858 3.891 1.00 0.00 O ATOM 238 CB GLN A 14 -8.593 -7.345 6.720 1.00 0.00 C ATOM 239 CG GLN A 14 -7.885 -6.281 7.544 1.00 0.00 C ATOM 240 CD GLN A 14 -8.614 -4.949 7.534 1.00 0.00 C ATOM 241 OE1 GLN A 14 -8.811 -4.390 6.345 1.00 0.00 O flip ATOM 242 NE2 GLN A 14 -8.998 -4.432 8.581 1.00 0.00 N flip ATOM 0 H GLN A 14 -7.507 -6.766 4.200 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.926 -8.660 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.372 -6.871 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.089 -8.043 7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.787 -6.629 8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.875 -6.141 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.825 -4.897 9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.489 -3.538 8.558 1.00 0.00 H new ATOM 251 N GLN A 15 -8.602 -10.353 5.544 1.00 0.00 N ATOM 252 CA GLN A 15 -9.343 -11.425 4.879 1.00 0.00 C ATOM 253 C GLN A 15 -10.211 -12.194 5.873 1.00 0.00 C ATOM 254 O GLN A 15 -9.822 -12.388 7.025 1.00 0.00 O ATOM 255 CB GLN A 15 -8.373 -12.388 4.185 1.00 0.00 C ATOM 256 CG GLN A 15 -9.049 -13.602 3.562 1.00 0.00 C ATOM 257 CD GLN A 15 -8.596 -13.862 2.141 1.00 0.00 C ATOM 258 OE1 GLN A 15 -7.685 -14.650 1.905 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.236 -13.203 1.182 1.00 0.00 N ATOM 0 H GLN A 15 -8.216 -10.609 6.453 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.995 -10.969 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.833 -11.847 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.633 -12.728 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.840 -14.481 4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.129 -13.456 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.988 -12.557 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.976 -13.343 0.206 1.00 0.00 H new ATOM 268 N HIS A 16 -11.382 -12.641 5.419 1.00 0.00 N ATOM 269 CA HIS A 16 -12.290 -13.400 6.276 1.00 0.00 C ATOM 270 C HIS A 16 -12.998 -14.494 5.482 1.00 0.00 C ATOM 271 O HIS A 16 -13.724 -14.209 4.532 1.00 0.00 O ATOM 272 CB HIS A 16 -13.320 -12.462 6.912 1.00 0.00 C ATOM 273 CG HIS A 16 -14.268 -13.147 7.848 1.00 0.00 C ATOM 274 ND1 HIS A 16 -15.595 -12.787 7.969 1.00 0.00 N ATOM 275 CD2 HIS A 16 -14.079 -14.173 8.712 1.00 0.00 C ATOM 276 CE1 HIS A 16 -16.179 -13.561 8.866 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.281 -14.410 9.331 1.00 0.00 N ATOM 0 H HIS A 16 -11.722 -12.492 4.469 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.703 -13.873 7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.795 -11.675 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.892 -11.977 6.121 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.155 -14.705 8.882 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.215 -13.508 9.168 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.453 -15.126 10.036 1.00 0.00 H new ATOM 286 N ILE A 17 -12.791 -15.748 5.881 1.00 0.00 N ATOM 287 CA ILE A 17 -13.422 -16.877 5.202 1.00 0.00 C ATOM 288 C ILE A 17 -14.415 -17.577 6.124 1.00 0.00 C ATOM 289 O ILE A 17 -14.172 -17.713 7.324 1.00 0.00 O ATOM 290 CB ILE A 17 -12.380 -17.905 4.706 1.00 0.00 C ATOM 291 CG1 ILE A 17 -11.166 -17.196 4.093 1.00 0.00 C ATOM 292 CG2 ILE A 17 -13.011 -18.851 3.694 1.00 0.00 C ATOM 293 CD1 ILE A 17 -10.046 -18.137 3.704 1.00 0.00 C ATOM 0 H ILE A 17 -12.194 -16.006 6.667 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.948 -16.471 4.338 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.038 -18.487 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.487 -16.642 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.784 -16.466 4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.265 -19.569 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.840 -19.382 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.380 -18.279 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.222 -17.565 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.698 -18.673 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.411 -18.852 2.967 1.00 0.00 H new ATOM 476 N VAL A 29 -16.917 -19.229 0.283 1.00 0.00 N ATOM 477 CA VAL A 29 -16.858 -17.791 0.034 1.00 0.00 C ATOM 478 C VAL A 29 -15.921 -17.101 1.025 1.00 0.00 C ATOM 479 O VAL A 29 -16.047 -17.272 2.239 1.00 0.00 O ATOM 480 CB VAL A 29 -18.257 -17.144 0.124 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.208 -15.689 -0.322 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.270 -17.929 -0.702 1.00 0.00 C ATOM 0 HA VAL A 29 -16.474 -17.659 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.577 -17.169 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.204 -15.253 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.522 -15.135 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.862 -15.636 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.249 -17.455 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.956 -17.943 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.331 -18.951 -0.328 1.00 0.00 H new ATOM 492 N ARG A 30 -14.981 -16.319 0.491 1.00 0.00 N ATOM 493 CA ARG A 30 -14.014 -15.597 1.318 1.00 0.00 C ATOM 494 C ARG A 30 -14.149 -14.084 1.130 1.00 0.00 C ATOM 495 O ARG A 30 -14.690 -13.614 0.126 1.00 0.00 O ATOM 496 CB ARG A 30 -12.582 -16.041 0.990 1.00 0.00 C ATOM 497 CG ARG A 30 -12.290 -16.146 -0.501 1.00 0.00 C ATOM 498 CD ARG A 30 -12.391 -17.582 -0.994 1.00 0.00 C ATOM 499 NE ARG A 30 -11.120 -18.300 -0.876 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.876 -19.484 -1.447 1.00 0.00 C ATOM 501 NH1 ARG A 30 -11.813 -20.089 -2.172 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.694 -20.067 -1.286 1.00 0.00 N ATOM 0 H ARG A 30 -14.869 -16.170 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.227 -15.835 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.883 -15.335 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.398 -17.010 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.991 -15.521 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.291 -15.761 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.157 -18.107 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.712 -17.585 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.376 -17.871 -0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.725 -19.650 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.619 -20.992 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.973 -19.612 -0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.507 -20.970 -1.721 1.00 0.00 H new ATOM 516 N GLN A 31 -13.647 -13.329 2.107 1.00 0.00 N ATOM 517 CA GLN A 31 -13.701 -11.869 2.071 1.00 0.00 C ATOM 518 C GLN A 31 -12.297 -11.275 2.022 1.00 0.00 C ATOM 519 O GLN A 31 -11.323 -11.927 2.401 1.00 0.00 O ATOM 520 CB GLN A 31 -14.447 -11.332 3.296 1.00 0.00 C ATOM 521 CG GLN A 31 -15.928 -11.092 3.051 1.00 0.00 C ATOM 522 CD GLN A 31 -16.734 -11.052 4.336 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.410 -12.018 4.688 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.666 -9.930 5.045 1.00 0.00 N ATOM 0 H GLN A 31 -13.195 -13.709 2.939 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.237 -11.574 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.333 -12.038 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.984 -10.397 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.056 -10.150 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.318 -11.880 2.406 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.093 -9.153 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.187 -9.846 5.918 1.00 0.00 H new ATOM 533 N TRP A 32 -12.200 -10.034 1.550 1.00 0.00 N ATOM 534 CA TRP A 32 -10.912 -9.348 1.443 1.00 0.00 C ATOM 535 C TRP A 32 -11.091 -7.830 1.415 1.00 0.00 C ATOM 536 O TRP A 32 -12.067 -7.321 0.863 1.00 0.00 O ATOM 537 CB TRP A 32 -10.169 -9.804 0.183 1.00 0.00 C ATOM 538 CG TRP A 32 -11.011 -9.756 -1.057 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.956 -10.664 -1.442 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.988 -8.746 -2.073 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.523 -10.281 -2.633 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.946 -9.107 -3.040 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.255 -7.569 -2.257 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.182 -8.336 -4.177 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.492 -6.805 -3.384 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.451 -7.190 -4.331 1.00 0.00 C ATOM 0 H TRP A 32 -12.998 -9.482 1.235 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.324 -9.608 2.323 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.290 -9.175 0.041 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.811 -10.823 0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.219 -11.554 -0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.254 -10.788 -3.133 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.517 -7.263 -1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.916 -8.633 -4.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.929 -5.896 -3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.616 -6.570 -5.199 1.00 0.00 H new ATOM 557 N SER A 33 -10.136 -7.119 2.010 1.00 0.00 N ATOM 558 CA SER A 33 -10.171 -5.659 2.058 1.00 0.00 C ATOM 559 C SER A 33 -8.756 -5.083 1.989 1.00 0.00 C ATOM 560 O SER A 33 -7.932 -5.337 2.869 1.00 0.00 O ATOM 561 CB SER A 33 -10.870 -5.182 3.333 1.00 0.00 C ATOM 562 OG SER A 33 -10.468 -5.949 4.454 1.00 0.00 O ATOM 0 H SER A 33 -9.324 -7.533 2.468 1.00 0.00 H new ATOM 0 HA SER A 33 -10.734 -5.304 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.639 -4.131 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.950 -5.255 3.208 1.00 0.00 H new ATOM 0 HG SER A 33 -9.976 -5.379 5.081 1.00 0.00 H new ATOM 568 N ILE A 34 -8.480 -4.314 0.933 1.00 0.00 N ATOM 569 CA ILE A 34 -7.161 -3.711 0.748 1.00 0.00 C ATOM 570 C ILE A 34 -7.267 -2.213 0.446 1.00 0.00 C ATOM 571 O ILE A 34 -8.077 -1.794 -0.381 1.00 0.00 O ATOM 572 CB ILE A 34 -6.378 -4.407 -0.391 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.950 -3.856 -0.478 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.098 -4.237 -1.724 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.957 -4.605 0.382 1.00 0.00 C ATOM 0 H ILE A 34 -9.151 -4.096 0.196 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.620 -3.845 1.685 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.324 -5.472 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.619 -3.892 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.956 -2.807 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.530 -4.734 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.092 -4.679 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.187 -3.176 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.969 -4.159 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.264 -4.548 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.921 -5.649 0.071 1.00 0.00 H new ATOM 587 N GLU A 35 -6.429 -1.416 1.113 1.00 0.00 N ATOM 588 CA GLU A 35 -6.417 0.032 0.908 1.00 0.00 C ATOM 589 C GLU A 35 -4.985 0.561 0.816 1.00 0.00 C ATOM 590 O GLU A 35 -4.120 0.187 1.612 1.00 0.00 O ATOM 591 CB GLU A 35 -7.175 0.747 2.033 1.00 0.00 C ATOM 592 CG GLU A 35 -6.554 0.576 3.411 1.00 0.00 C ATOM 593 CD GLU A 35 -7.593 0.346 4.490 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.008 -0.817 4.677 1.00 0.00 O ATOM 595 OE2 GLU A 35 -7.989 1.328 5.151 1.00 0.00 O ATOM 0 H GLU A 35 -5.751 -1.749 1.798 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.921 0.239 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.229 1.811 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.199 0.374 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.862 -0.266 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.970 1.463 3.656 1.00 0.00 H new ATOM 602 N ILE A 36 -4.746 1.432 -0.165 1.00 0.00 N ATOM 603 CA ILE A 36 -3.427 2.022 -0.379 1.00 0.00 C ATOM 604 C ILE A 36 -3.434 3.507 -0.018 1.00 0.00 C ATOM 605 O ILE A 36 -4.118 4.304 -0.661 1.00 0.00 O ATOM 606 CB ILE A 36 -2.973 1.860 -1.850 1.00 0.00 C ATOM 607 CG1 ILE A 36 -3.128 0.404 -2.305 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.532 2.323 -2.017 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.463 0.108 -2.958 1.00 0.00 C ATOM 0 H ILE A 36 -5.455 1.745 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.727 1.494 0.268 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.610 2.484 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.329 0.165 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.002 -0.252 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.229 2.202 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.452 3.373 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.882 1.726 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.499 -0.941 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.267 0.314 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.584 0.737 -3.840 1.00 0.00 H new ATOM 621 N VAL A 37 -2.677 3.871 1.017 1.00 0.00 N ATOM 622 CA VAL A 37 -2.604 5.260 1.468 1.00 0.00 C ATOM 623 C VAL A 37 -1.157 5.754 1.512 1.00 0.00 C ATOM 624 O VAL A 37 -0.268 5.048 1.987 1.00 0.00 O ATOM 625 CB VAL A 37 -3.238 5.420 2.866 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.312 6.888 3.270 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.621 4.782 2.908 1.00 0.00 C ATOM 0 H VAL A 37 -2.106 3.223 1.559 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.161 5.861 0.749 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.600 4.904 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.763 6.971 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.307 7.310 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.919 7.434 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.049 4.907 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.266 5.263 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.539 3.720 2.679 1.00 0.00 H new ATOM 637 N LEU A 38 -0.928 6.973 1.011 1.00 0.00 N ATOM 638 CA LEU A 38 0.414 7.561 0.990 1.00 0.00 C ATOM 639 C LEU A 38 0.354 9.090 0.900 1.00 0.00 C ATOM 640 O LEU A 38 -0.621 9.651 0.394 1.00 0.00 O ATOM 641 CB LEU A 38 1.224 6.995 -0.181 1.00 0.00 C ATOM 642 CG LEU A 38 0.475 6.919 -1.518 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.717 8.175 -2.342 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.892 5.676 -2.293 1.00 0.00 C ATOM 0 H LEU A 38 -1.654 7.570 0.615 1.00 0.00 H new ATOM 0 HA LEU A 38 0.907 7.298 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.114 7.609 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.564 5.994 0.084 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.593 6.851 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.177 8.101 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.364 9.046 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.784 8.279 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.351 5.638 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.964 5.712 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.660 4.787 -1.707 1.00 0.00 H new ATOM 656 N LEU A 39 1.403 9.756 1.393 1.00 0.00 N ATOM 657 CA LEU A 39 1.473 11.220 1.368 1.00 0.00 C ATOM 658 C LEU A 39 2.333 11.722 0.210 1.00 0.00 C ATOM 659 O LEU A 39 3.137 10.972 -0.350 1.00 0.00 O ATOM 660 CB LEU A 39 2.029 11.755 2.692 1.00 0.00 C ATOM 661 CG LEU A 39 0.974 12.122 3.735 1.00 0.00 C ATOM 662 CD1 LEU A 39 0.613 10.908 4.574 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.466 13.262 4.618 1.00 0.00 C ATOM 0 H LEU A 39 2.215 9.304 1.814 1.00 0.00 H new ATOM 0 HA LEU A 39 0.458 11.591 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.694 11.005 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.635 12.637 2.484 1.00 0.00 H new ATOM 0 HG LEU A 39 0.077 12.459 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.139 11.186 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.216 10.125 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.503 10.541 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.701 13.509 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.378 12.957 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.672 14.137 4.001 1.00 0.00 H new ATOM 675 N ASP A 40 2.167 13.003 -0.134 1.00 0.00 N ATOM 676 CA ASP A 40 2.923 13.622 -1.219 1.00 0.00 C ATOM 677 C ASP A 40 2.628 15.117 -1.307 1.00 0.00 C ATOM 678 O ASP A 40 3.543 15.934 -1.408 1.00 0.00 O ATOM 679 CB ASP A 40 2.601 12.953 -2.557 1.00 0.00 C ATOM 680 CG ASP A 40 3.807 12.899 -3.475 1.00 0.00 C ATOM 681 OD1 ASP A 40 4.888 12.473 -3.012 1.00 0.00 O ATOM 682 OD2 ASP A 40 3.672 13.285 -4.655 1.00 0.00 O ATOM 0 H ASP A 40 1.511 13.632 0.329 1.00 0.00 H new ATOM 0 HA ASP A 40 3.982 13.486 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.238 11.941 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.796 13.498 -3.049 1.00 0.00 H new ATOM 687 N ASP A 41 1.337 15.465 -1.259 1.00 0.00 N ATOM 688 CA ASP A 41 0.911 16.865 -1.324 1.00 0.00 C ATOM 689 C ASP A 41 1.414 17.658 -0.114 1.00 0.00 C ATOM 690 O ASP A 41 1.474 18.890 -0.156 1.00 0.00 O ATOM 691 CB ASP A 41 -0.619 16.961 -1.403 1.00 0.00 C ATOM 692 CG ASP A 41 -1.311 16.325 -0.210 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.521 17.030 0.798 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.634 15.121 -0.285 1.00 0.00 O ATOM 0 H ASP A 41 0.571 14.796 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 41 1.346 17.297 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.910 18.009 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.962 16.476 -2.317 1.00 0.00 H new ATOM 699 N GLU A 42 1.772 16.949 0.960 1.00 0.00 N ATOM 700 CA GLU A 42 2.267 17.595 2.174 1.00 0.00 C ATOM 701 C GLU A 42 3.790 17.565 2.234 1.00 0.00 C ATOM 702 O GLU A 42 4.417 18.521 2.696 1.00 0.00 O ATOM 703 CB GLU A 42 1.690 16.910 3.417 1.00 0.00 C ATOM 704 CG GLU A 42 0.416 17.559 3.937 1.00 0.00 C ATOM 705 CD GLU A 42 0.397 17.720 5.449 1.00 0.00 C ATOM 706 OE1 GLU A 42 0.999 16.878 6.151 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.225 18.690 5.929 1.00 0.00 O ATOM 0 H GLU A 42 1.728 15.931 1.012 1.00 0.00 H new ATOM 0 HA GLU A 42 1.942 18.635 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.486 15.865 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.441 16.919 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.300 18.538 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.440 16.958 3.632 1.00 0.00 H new ATOM 714 N GLY A 43 4.384 16.469 1.763 1.00 0.00 N ATOM 715 CA GLY A 43 5.828 16.347 1.775 1.00 0.00 C ATOM 716 C GLY A 43 6.456 16.649 0.429 1.00 0.00 C ATOM 717 O GLY A 43 7.331 15.916 -0.029 1.00 0.00 O ATOM 0 H GLY A 43 3.889 15.666 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.239 17.026 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.100 15.336 2.079 1.00 0.00 H new ATOM 721 N LYS A 44 6.016 17.738 -0.199 1.00 0.00 N ATOM 722 CA LYS A 44 6.539 18.153 -1.499 1.00 0.00 C ATOM 723 C LYS A 44 6.265 17.094 -2.566 1.00 0.00 C ATOM 724 O LYS A 44 6.975 16.090 -2.658 1.00 0.00 O ATOM 725 CB LYS A 44 8.043 18.427 -1.401 1.00 0.00 C ATOM 726 CG LYS A 44 8.396 19.905 -1.354 1.00 0.00 C ATOM 727 CD LYS A 44 9.881 20.132 -1.590 1.00 0.00 C ATOM 728 CE LYS A 44 10.644 20.261 -0.280 1.00 0.00 C ATOM 729 NZ LYS A 44 12.105 20.462 -0.498 1.00 0.00 N ATOM 0 H LYS A 44 5.293 18.353 0.175 1.00 0.00 H new ATOM 0 HA LYS A 44 6.028 19.070 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.434 17.941 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.542 17.971 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.821 20.442 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.114 20.317 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.289 19.303 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.022 21.035 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.245 21.100 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.488 19.364 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.585 20.545 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.493 19.650 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.258 21.332 -1.048 1.00 0.00 H new ATOM 743 N GLU A 45 5.240 17.325 -3.383 1.00 0.00 N ATOM 744 CA GLU A 45 4.882 16.388 -4.446 1.00 0.00 C ATOM 745 C GLU A 45 5.745 16.613 -5.700 1.00 0.00 C ATOM 746 O GLU A 45 5.225 16.700 -6.815 1.00 0.00 O ATOM 747 CB GLU A 45 3.392 16.512 -4.790 1.00 0.00 C ATOM 748 CG GLU A 45 2.990 17.875 -5.346 1.00 0.00 C ATOM 749 CD GLU A 45 1.626 18.338 -4.859 1.00 0.00 C ATOM 750 OE1 GLU A 45 0.709 17.495 -4.762 1.00 0.00 O ATOM 751 OE2 GLU A 45 1.475 19.546 -4.578 1.00 0.00 O ATOM 0 H GLU A 45 4.644 18.151 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 45 5.074 15.378 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.134 15.744 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.806 16.310 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.740 18.613 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.984 17.829 -6.435 1.00 0.00 H new ATOM 758 N ILE A 46 7.066 16.708 -5.513 1.00 0.00 N ATOM 759 CA ILE A 46 7.991 16.927 -6.624 1.00 0.00 C ATOM 760 C ILE A 46 9.119 15.889 -6.622 1.00 0.00 C ATOM 761 O ILE A 46 9.980 15.903 -5.738 1.00 0.00 O ATOM 762 CB ILE A 46 8.612 18.339 -6.573 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.524 19.412 -6.432 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.450 18.595 -7.816 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.953 20.602 -5.600 1.00 0.00 C ATOM 0 H ILE A 46 7.516 16.636 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 46 7.408 16.826 -7.539 1.00 0.00 H new ATOM 0 HB ILE A 46 9.259 18.394 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.235 19.758 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.639 18.963 -5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.881 19.595 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.250 17.857 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.820 18.516 -8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.135 21.320 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.214 20.269 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.820 21.075 -6.062 1.00 0.00 H new ATOM 777 N PRO A 47 9.130 14.974 -7.617 1.00 0.00 N ATOM 778 CA PRO A 47 10.157 13.922 -7.734 1.00 0.00 C ATOM 779 C PRO A 47 11.582 14.480 -7.798 1.00 0.00 C ATOM 780 O PRO A 47 11.782 15.660 -8.098 1.00 0.00 O ATOM 781 CB PRO A 47 9.811 13.224 -9.056 1.00 0.00 C ATOM 782 CG PRO A 47 8.371 13.524 -9.285 1.00 0.00 C ATOM 783 CD PRO A 47 8.135 14.890 -8.706 1.00 0.00 C ATOM 0 HA PRO A 47 10.148 13.265 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.427 13.599 -9.873 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.985 12.150 -8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.133 13.505 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.736 12.781 -8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.285 15.673 -9.449 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.117 14.997 -8.330 1.00 0.00 H new ATOM 791 N ALA A 48 12.566 13.619 -7.519 1.00 0.00 N ATOM 792 CA ALA A 48 13.977 14.018 -7.544 1.00 0.00 C ATOM 793 C ALA A 48 14.841 12.989 -8.275 1.00 0.00 C ATOM 794 O ALA A 48 15.577 13.331 -9.200 1.00 0.00 O ATOM 795 CB ALA A 48 14.495 14.232 -6.127 1.00 0.00 C ATOM 0 H ALA A 48 12.411 12.641 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 48 14.044 14.958 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.544 14.528 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.914 15.016 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.399 13.306 -5.561 1.00 0.00 H new ATOM 801 N THR A 49 14.756 11.727 -7.848 1.00 0.00 N ATOM 802 CA THR A 49 15.537 10.653 -8.462 1.00 0.00 C ATOM 803 C THR A 49 14.621 9.609 -9.103 1.00 0.00 C ATOM 804 O THR A 49 14.641 9.422 -10.321 1.00 0.00 O ATOM 805 CB THR A 49 16.454 9.996 -7.422 1.00 0.00 C ATOM 806 OG1 THR A 49 17.245 10.969 -6.763 1.00 0.00 O ATOM 807 CG2 THR A 49 17.393 8.962 -8.006 1.00 0.00 C ATOM 0 H THR A 49 14.155 11.425 -7.081 1.00 0.00 H new ATOM 0 HA THR A 49 16.156 11.089 -9.247 1.00 0.00 H new ATOM 0 HB THR A 49 15.780 9.495 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.821 10.530 -6.103 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.010 8.541 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.813 8.167 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.033 9.432 -8.752 1.00 0.00 H new ATOM 815 N ILE A 50 13.813 8.938 -8.282 1.00 0.00 N ATOM 816 CA ILE A 50 12.886 7.923 -8.780 1.00 0.00 C ATOM 817 C ILE A 50 11.441 8.287 -8.428 1.00 0.00 C ATOM 818 O ILE A 50 10.699 8.776 -9.280 1.00 0.00 O ATOM 819 CB ILE A 50 13.216 6.516 -8.225 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.664 6.137 -8.547 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.258 5.478 -8.798 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.153 4.919 -7.790 1.00 0.00 C ATOM 0 H ILE A 50 13.782 9.079 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 50 12.999 7.896 -9.864 1.00 0.00 H new ATOM 0 HB ILE A 50 13.097 6.539 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.753 5.950 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.312 6.982 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.505 4.495 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.235 5.736 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.348 5.460 -9.884 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.186 4.709 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.097 5.110 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.529 4.061 -8.039 1.00 0.00 H new ATOM 834 N PHE A 51 11.052 8.050 -7.171 1.00 0.00 N ATOM 835 CA PHE A 51 9.701 8.356 -6.698 1.00 0.00 C ATOM 836 C PHE A 51 8.643 7.628 -7.530 1.00 0.00 C ATOM 837 O PHE A 51 8.261 8.083 -8.610 1.00 0.00 O ATOM 838 CB PHE A 51 9.459 9.869 -6.715 1.00 0.00 C ATOM 839 CG PHE A 51 8.021 10.264 -6.487 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.474 10.225 -5.214 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.220 10.667 -7.543 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.157 10.584 -4.999 1.00 0.00 C ATOM 843 CE2 PHE A 51 5.901 11.027 -7.333 1.00 0.00 C ATOM 844 CZ PHE A 51 5.370 10.985 -6.060 1.00 0.00 C ATOM 0 H PHE A 51 11.660 7.644 -6.459 1.00 0.00 H new ATOM 0 HA PHE A 51 9.615 8.002 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.079 10.334 -5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.787 10.268 -7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.084 9.910 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.630 10.700 -8.542 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.744 10.551 -4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.287 11.341 -8.165 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.340 11.265 -5.894 1.00 0.00 H new ATOM 854 N ASP A 52 8.172 6.497 -7.007 1.00 0.00 N ATOM 855 CA ASP A 52 7.153 5.695 -7.682 1.00 0.00 C ATOM 856 C ASP A 52 6.668 4.561 -6.782 1.00 0.00 C ATOM 857 O ASP A 52 7.386 3.585 -6.558 1.00 0.00 O ATOM 858 CB ASP A 52 7.698 5.119 -8.992 1.00 0.00 C ATOM 859 CG ASP A 52 6.592 4.629 -9.907 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.047 3.536 -9.647 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.265 5.343 -10.877 1.00 0.00 O ATOM 0 H ASP A 52 8.482 6.114 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 52 6.310 6.349 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.282 5.882 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.376 4.295 -8.770 1.00 0.00 H new ATOM 866 N LYS A 53 5.447 4.690 -6.272 1.00 0.00 N ATOM 867 CA LYS A 53 4.873 3.668 -5.401 1.00 0.00 C ATOM 868 C LYS A 53 4.087 2.644 -6.214 1.00 0.00 C ATOM 869 O LYS A 53 3.231 3.009 -7.018 1.00 0.00 O ATOM 870 CB LYS A 53 3.957 4.305 -4.348 1.00 0.00 C ATOM 871 CG LYS A 53 4.542 5.537 -3.676 1.00 0.00 C ATOM 872 CD LYS A 53 3.904 6.814 -4.201 1.00 0.00 C ATOM 873 CE LYS A 53 4.770 8.033 -3.917 1.00 0.00 C ATOM 874 NZ LYS A 53 4.970 8.253 -2.456 1.00 0.00 N ATOM 0 H LYS A 53 4.837 5.489 -6.446 1.00 0.00 H new ATOM 0 HA LYS A 53 5.695 3.161 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.013 4.576 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.729 3.562 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.392 5.471 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.618 5.570 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.742 6.725 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.925 6.948 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.739 7.909 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.306 8.916 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.523 9.122 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.045 8.347 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.482 7.444 -2.050 1.00 0.00 H new ATOM 888 N VAL A 54 4.379 1.362 -5.998 1.00 0.00 N ATOM 889 CA VAL A 54 3.690 0.291 -6.715 1.00 0.00 C ATOM 890 C VAL A 54 3.215 -0.808 -5.766 1.00 0.00 C ATOM 891 O VAL A 54 4.019 -1.482 -5.120 1.00 0.00 O ATOM 892 CB VAL A 54 4.575 -0.328 -7.821 1.00 0.00 C ATOM 893 CG1 VAL A 54 4.601 0.569 -9.049 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.987 -0.588 -7.313 1.00 0.00 C ATOM 0 H VAL A 54 5.085 1.041 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 54 2.820 0.750 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 54 4.140 -1.287 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.229 0.117 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.588 0.689 -9.433 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.005 1.545 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.587 -1.023 -8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.437 0.352 -6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.949 -1.278 -6.470 1.00 0.00 H new ATOM 904 N ILE A 55 1.893 -0.975 -5.690 1.00 0.00 N ATOM 905 CA ILE A 55 1.284 -1.984 -4.825 1.00 0.00 C ATOM 906 C ILE A 55 0.738 -3.153 -5.647 1.00 0.00 C ATOM 907 O ILE A 55 0.427 -3.005 -6.830 1.00 0.00 O ATOM 908 CB ILE A 55 0.132 -1.393 -3.972 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.377 0.089 -3.662 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.036 -2.186 -2.683 1.00 0.00 C ATOM 911 CD1 ILE A 55 1.692 0.360 -2.961 1.00 0.00 C ATOM 0 H ILE A 55 1.222 -0.420 -6.221 1.00 0.00 H new ATOM 0 HA ILE A 55 2.071 -2.338 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.788 -1.468 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.350 0.654 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.438 0.460 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.849 -1.758 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.268 -3.224 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.889 -2.145 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.792 1.430 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.716 -0.176 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.516 0.022 -3.589 1.00 0.00 H new ATOM 923 N TYR A 56 0.626 -4.318 -5.008 1.00 0.00 N ATOM 924 CA TYR A 56 0.119 -5.517 -5.673 1.00 0.00 C ATOM 925 C TYR A 56 -0.752 -6.340 -4.725 1.00 0.00 C ATOM 926 O TYR A 56 -0.447 -6.459 -3.538 1.00 0.00 O ATOM 927 CB TYR A 56 1.275 -6.378 -6.191 1.00 0.00 C ATOM 928 CG TYR A 56 1.927 -5.837 -7.444 1.00 0.00 C ATOM 929 CD1 TYR A 56 2.837 -4.788 -7.383 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.632 -6.378 -8.690 1.00 0.00 C ATOM 931 CE1 TYR A 56 3.433 -4.293 -8.527 1.00 0.00 C ATOM 932 CE2 TYR A 56 2.225 -5.890 -9.838 1.00 0.00 C ATOM 933 CZ TYR A 56 3.124 -4.848 -9.752 1.00 0.00 C ATOM 934 OH TYR A 56 3.716 -4.360 -10.896 1.00 0.00 O ATOM 0 H TYR A 56 0.880 -4.456 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.490 -5.195 -6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.029 -6.465 -5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.905 -7.384 -6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.082 -4.353 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.927 -7.193 -8.762 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.137 -3.476 -8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.986 -6.322 -10.798 1.00 0.00 H new ATOM 0 HH TYR A 56 3.391 -4.862 -11.672 1.00 0.00 H new ATOM 944 N HIS A 57 -1.837 -6.903 -5.257 1.00 0.00 N ATOM 945 CA HIS A 57 -2.755 -7.711 -4.456 1.00 0.00 C ATOM 946 C HIS A 57 -3.430 -8.782 -5.313 1.00 0.00 C ATOM 947 O HIS A 57 -4.125 -8.466 -6.277 1.00 0.00 O ATOM 948 CB HIS A 57 -3.813 -6.819 -3.795 1.00 0.00 C ATOM 949 CG HIS A 57 -4.399 -5.790 -4.714 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.811 -4.563 -4.941 1.00 0.00 N ATOM 951 CD2 HIS A 57 -5.524 -5.810 -5.466 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.548 -3.874 -5.792 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.593 -4.609 -6.126 1.00 0.00 N ATOM 0 H HIS A 57 -2.101 -6.814 -6.238 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.177 -8.209 -3.678 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.616 -7.448 -3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.365 -6.315 -2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.235 -6.620 -5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.333 -2.879 -6.153 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.332 -4.329 -6.771 1.00 0.00 H new ATOM 962 N LEU A 58 -3.211 -10.051 -4.948 1.00 0.00 N ATOM 963 CA LEU A 58 -3.786 -11.190 -5.670 1.00 0.00 C ATOM 964 C LEU A 58 -3.184 -11.323 -7.068 1.00 0.00 C ATOM 965 O LEU A 58 -2.580 -10.383 -7.588 1.00 0.00 O ATOM 966 CB LEU A 58 -5.310 -11.065 -5.773 1.00 0.00 C ATOM 967 CG LEU A 58 -6.079 -11.319 -4.471 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.205 -10.034 -3.664 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.452 -11.904 -4.767 1.00 0.00 C ATOM 0 H LEU A 58 -2.634 -10.315 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.544 -12.087 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.552 -10.064 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.665 -11.766 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.520 -12.042 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.754 -10.235 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.211 -9.659 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.741 -9.287 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.983 -12.078 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.020 -11.206 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.338 -12.848 -5.300 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.652 -3.713 -11.976 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.821 -3.585 -10.769 1.00 0.00 C ATOM 1073 C PRO A 65 -1.980 -2.217 -10.107 1.00 0.00 C ATOM 1074 O PRO A 65 -2.782 -1.393 -10.553 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.385 -3.762 -11.292 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.532 -4.378 -12.643 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.832 -3.864 -13.184 1.00 0.00 C ATOM 0 HA PRO A 65 -2.098 -4.312 -10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.133 -2.805 -11.350 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.199 -4.401 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.299 -4.101 -13.292 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.538 -5.466 -12.579 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.705 -2.916 -13.708 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.280 -4.562 -13.892 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.214 -1.976 -9.043 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.277 -0.701 -8.329 1.00 0.00 C ATOM 1087 C ASN A 66 -0.001 0.110 -8.535 1.00 0.00 C ATOM 1088 O ASN A 66 1.106 -0.386 -8.317 1.00 0.00 O ATOM 1089 CB ASN A 66 -1.515 -0.934 -6.834 1.00 0.00 C ATOM 1090 CG ASN A 66 -2.743 -0.207 -6.325 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -3.872 -0.644 -6.546 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -2.532 0.909 -5.635 1.00 0.00 N ATOM 0 H ASN A 66 -0.546 -2.643 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.113 -0.132 -8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.626 -2.002 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.641 -0.602 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.322 1.438 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.580 1.237 -5.474 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.169 1.365 -8.948 1.00 0.00 N ATOM 1100 CA ARG A 67 0.960 2.264 -9.178 1.00 0.00 C ATOM 1101 C ARG A 67 0.560 3.711 -8.886 1.00 0.00 C ATOM 1102 O ARG A 67 -0.169 4.333 -9.661 1.00 0.00 O ATOM 1103 CB ARG A 67 1.481 2.130 -10.617 1.00 0.00 C ATOM 1104 CG ARG A 67 0.390 2.137 -11.681 1.00 0.00 C ATOM 1105 CD ARG A 67 -0.219 0.754 -11.872 1.00 0.00 C ATOM 1106 NE ARG A 67 -0.485 0.459 -13.279 1.00 0.00 N ATOM 1107 CZ ARG A 67 0.465 0.218 -14.187 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.752 0.271 -13.848 1.00 0.00 N ATOM 1109 NH2 ARG A 67 0.128 -0.067 -15.440 1.00 0.00 N ATOM 0 H ARG A 67 -1.081 1.784 -9.131 1.00 0.00 H new ATOM 0 HA ARG A 67 1.764 1.982 -8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.174 2.947 -10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.048 1.203 -10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.391 2.842 -11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.806 2.485 -12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.457 0.002 -11.466 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.148 0.686 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.457 0.436 -13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.018 0.497 -12.890 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.472 0.086 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.855 -0.102 -15.708 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.853 -0.251 -16.134 1.00 0.00 H new ATOM 1123 N THR A 68 1.033 4.236 -7.757 1.00 0.00 N ATOM 1124 CA THR A 68 0.721 5.606 -7.356 1.00 0.00 C ATOM 1125 C THR A 68 1.842 6.564 -7.743 1.00 0.00 C ATOM 1126 O THR A 68 2.964 6.460 -7.243 1.00 0.00 O ATOM 1127 CB THR A 68 0.475 5.682 -5.844 1.00 0.00 C ATOM 1128 OG1 THR A 68 -0.345 4.613 -5.405 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.184 6.976 -5.409 1.00 0.00 C ATOM 0 H THR A 68 1.634 3.733 -7.104 1.00 0.00 H new ATOM 0 HA THR A 68 -0.186 5.905 -7.882 1.00 0.00 H new ATOM 0 HB THR A 68 1.465 5.624 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.078 4.966 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.330 6.965 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.453 7.818 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.150 7.077 -5.904 1.00 0.00 H new ATOM 1137 N PHE A 69 1.521 7.507 -8.626 1.00 0.00 N ATOM 1138 CA PHE A 69 2.485 8.504 -9.080 1.00 0.00 C ATOM 1139 C PHE A 69 1.966 9.911 -8.772 1.00 0.00 C ATOM 1140 O PHE A 69 2.668 10.720 -8.163 1.00 0.00 O ATOM 1141 CB PHE A 69 2.748 8.344 -10.581 1.00 0.00 C ATOM 1142 CG PHE A 69 3.917 9.146 -11.086 1.00 0.00 C ATOM 1143 CD1 PHE A 69 5.177 8.996 -10.527 1.00 0.00 C ATOM 1144 CD2 PHE A 69 3.754 10.049 -12.125 1.00 0.00 C ATOM 1145 CE1 PHE A 69 6.251 9.732 -10.992 1.00 0.00 C ATOM 1146 CE2 PHE A 69 4.824 10.788 -12.594 1.00 0.00 C ATOM 1147 CZ PHE A 69 6.073 10.629 -12.027 1.00 0.00 C ATOM 0 H PHE A 69 0.595 7.601 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 69 3.425 8.355 -8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.922 7.290 -10.799 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.854 8.639 -11.130 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.321 8.295 -9.718 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.780 10.177 -12.573 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.227 9.606 -10.547 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.683 11.489 -13.403 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.910 11.206 -12.393 1.00 0.00 H new ATOM 1157 N THR A 70 0.727 10.183 -9.184 1.00 0.00 N ATOM 1158 CA THR A 70 0.094 11.482 -8.945 1.00 0.00 C ATOM 1159 C THR A 70 -1.420 11.326 -8.747 1.00 0.00 C ATOM 1160 O THR A 70 -2.203 12.185 -9.159 1.00 0.00 O ATOM 1161 CB THR A 70 0.383 12.444 -10.106 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.369 11.765 -11.352 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.716 13.151 -9.982 1.00 0.00 C ATOM 0 H THR A 70 0.139 9.518 -9.687 1.00 0.00 H new ATOM 0 HA THR A 70 0.517 11.900 -8.032 1.00 0.00 H new ATOM 0 HB THR A 70 -0.412 13.188 -10.059 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.554 12.402 -12.074 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.856 13.815 -10.835 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.734 13.734 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.518 12.414 -9.960 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.824 10.220 -8.110 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.240 9.942 -7.855 1.00 0.00 C ATOM 1173 C ASP A 71 -3.509 9.752 -6.360 1.00 0.00 C ATOM 1174 O ASP A 71 -2.597 9.432 -5.596 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.680 8.691 -8.622 1.00 0.00 C ATOM 1176 CG ASP A 71 -3.965 8.975 -10.085 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.021 9.353 -10.811 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.131 8.822 -10.503 1.00 0.00 O ATOM 0 H ASP A 71 -1.188 9.503 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.816 10.801 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.902 7.931 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.574 8.278 -8.155 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.776 9.944 -5.926 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.175 9.792 -4.516 1.00 0.00 C ATOM 1185 C PRO A 72 -5.096 8.340 -4.035 1.00 0.00 C ATOM 1186 O PRO A 72 -4.871 7.427 -4.832 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.627 10.285 -4.502 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.109 10.086 -5.896 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.919 10.326 -6.780 1.00 0.00 C ATOM 0 HA PRO A 72 -4.516 10.345 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.230 9.720 -3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.686 11.333 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.501 9.078 -6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.917 10.778 -6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.963 9.722 -7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.855 11.368 -7.094 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.289 8.105 -2.718 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.244 6.756 -2.134 1.00 0.00 C ATOM 1199 C PRO A 73 -6.340 5.844 -2.689 1.00 0.00 C ATOM 1200 O PRO A 73 -7.164 6.276 -3.496 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.454 7.000 -0.635 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.112 8.334 -0.550 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.570 9.133 -1.700 1.00 0.00 C ATOM 0 HA PRO A 73 -4.308 6.247 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.078 6.223 -0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.506 6.993 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.196 8.240 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.891 8.819 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.293 9.867 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.670 9.681 -1.421 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.346 4.583 -2.250 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.341 3.620 -2.710 1.00 0.00 C ATOM 1213 C PHE A 74 -7.783 2.708 -1.571 1.00 0.00 C ATOM 1214 O PHE A 74 -7.117 2.627 -0.538 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.777 2.781 -3.860 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.727 3.516 -5.171 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.807 3.484 -6.040 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.602 4.238 -5.533 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.766 4.159 -7.243 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.555 4.916 -6.736 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.638 4.877 -7.592 1.00 0.00 C ATOM 0 H PHE A 74 -5.675 4.209 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.209 4.175 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.771 2.451 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.386 1.885 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.691 2.924 -5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.752 4.271 -4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.614 4.126 -7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.672 5.476 -7.007 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.603 5.407 -8.533 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.911 2.027 -1.766 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.447 1.124 -0.757 1.00 0.00 C ATOM 1233 C ARG A 75 -10.678 0.378 -1.281 1.00 0.00 C ATOM 1234 O ARG A 75 -11.666 0.994 -1.685 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.789 1.909 0.511 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.979 2.846 0.366 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.946 3.948 1.415 1.00 0.00 C ATOM 1238 NE ARG A 75 -11.136 5.276 0.828 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.800 6.416 1.438 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -10.261 6.399 2.656 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.003 7.578 0.830 1.00 0.00 N ATOM 0 H ARG A 75 -9.470 2.086 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.687 0.379 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.993 1.204 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.917 2.491 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.977 3.289 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.905 2.279 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.724 3.765 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.992 3.918 1.941 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.550 5.334 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.102 5.510 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.008 7.275 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.415 7.600 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.747 8.449 1.295 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.602 -0.955 -1.283 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.702 -1.793 -1.763 1.00 0.00 C ATOM 1257 C ILE A 76 -11.882 -3.028 -0.880 1.00 0.00 C ATOM 1258 O ILE A 76 -10.916 -3.735 -0.584 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.475 -2.257 -3.223 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -11.074 -1.080 -4.120 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.726 -2.936 -3.764 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -9.577 -0.894 -4.245 1.00 0.00 C ATOM 0 H ILE A 76 -9.789 -1.477 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.600 -1.177 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.656 -2.977 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.497 -1.231 -5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.513 -0.165 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.551 -3.256 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.964 -3.804 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.560 -2.235 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.369 -0.043 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.150 -0.711 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.133 -1.793 -4.672 1.00 0.00 H new ATOM 1274 N GLU A 77 -13.125 -3.286 -0.470 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.437 -4.440 0.373 1.00 0.00 C ATOM 1276 C GLU A 77 -14.701 -5.151 -0.123 1.00 0.00 C ATOM 1277 O GLU A 77 -15.796 -4.589 -0.077 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.601 -4.007 1.836 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.590 -2.868 2.041 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.554 -2.306 3.452 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.646 -3.101 4.413 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.437 -1.071 3.596 1.00 0.00 O ATOM 0 H GLU A 77 -13.932 -2.710 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.606 -5.143 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.926 -4.866 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.629 -3.704 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.371 -2.070 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.597 -3.223 1.821 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.535 -6.385 -0.607 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.658 -7.170 -1.124 1.00 0.00 C ATOM 1291 C GLU A 78 -15.558 -8.639 -0.703 1.00 0.00 C ATOM 1292 O GLU A 78 -14.562 -9.061 -0.109 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.710 -7.068 -2.653 1.00 0.00 C ATOM 1294 CG GLU A 78 -16.046 -5.675 -3.164 1.00 0.00 C ATOM 1295 CD GLU A 78 -17.528 -5.489 -3.428 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -18.016 -5.992 -4.462 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -18.202 -4.839 -2.601 1.00 0.00 O ATOM 0 H GLU A 78 -13.634 -6.861 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.575 -6.760 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.746 -7.372 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.452 -7.772 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.716 -4.936 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.491 -5.486 -4.083 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.600 -9.413 -1.024 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.647 -10.837 -0.688 1.00 0.00 C ATOM 1306 C GLN A 79 -16.835 -11.694 -1.943 1.00 0.00 C ATOM 1307 O GLN A 79 -17.129 -11.177 -3.023 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.783 -11.113 0.303 1.00 0.00 C ATOM 1309 CG GLN A 79 -19.154 -10.664 -0.184 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.732 -9.539 0.653 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.182 -9.757 1.778 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.721 -8.325 0.111 1.00 0.00 N ATOM 0 H GLN A 79 -17.425 -9.074 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.696 -11.103 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.816 -12.182 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.561 -10.610 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.078 -10.338 -1.221 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -19.837 -11.513 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.339 -8.188 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.095 -7.531 0.631 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.663 -13.009 -1.789 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.814 -13.924 -2.908 1.00 0.00 C ATOM 1323 C GLY A 80 -15.619 -14.844 -3.065 1.00 0.00 C ATOM 1324 O GLY A 80 -15.273 -15.580 -2.139 1.00 0.00 O ATOM 0 H GLY A 80 -16.421 -13.456 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.714 -14.522 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.953 -13.352 -3.826 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.983 -14.797 -4.234 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.813 -15.630 -4.506 1.00 0.00 C ATOM 1330 C TRP A 81 -12.587 -14.757 -4.784 1.00 0.00 C ATOM 1331 O TRP A 81 -12.518 -14.075 -5.807 1.00 0.00 O ATOM 1332 CB TRP A 81 -14.074 -16.581 -5.687 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.570 -15.897 -6.931 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.841 -15.461 -7.179 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.802 -15.579 -8.099 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.909 -14.888 -8.427 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.671 -14.951 -9.012 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.466 -15.765 -8.464 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -14.244 -14.504 -10.262 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -12.043 -15.321 -9.702 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -12.930 -14.699 -10.590 1.00 0.00 C ATOM 0 H TRP A 81 -15.258 -14.192 -5.007 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.617 -16.235 -3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.152 -17.113 -5.921 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.805 -17.330 -5.381 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.671 -15.553 -6.494 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -16.744 -14.482 -8.849 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.775 -16.248 -7.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -14.926 -14.021 -10.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.011 -15.456 -9.990 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -12.570 -14.367 -11.552 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.627 -14.775 -3.860 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.426 -13.973 -4.027 1.00 0.00 C ATOM 1354 C GLY A 82 -9.391 -14.226 -2.946 1.00 0.00 C ATOM 1355 O GLY A 82 -9.607 -13.890 -1.780 1.00 0.00 O ATOM 0 H GLY A 82 -11.659 -15.328 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.986 -14.186 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.697 -12.917 -4.023 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.260 -14.819 -3.334 1.00 0.00 N ATOM 1360 CA GLY A 83 -7.201 -15.104 -2.381 1.00 0.00 C ATOM 1361 C GLY A 83 -5.888 -15.458 -3.056 1.00 0.00 C ATOM 1362 O GLY A 83 -5.763 -16.529 -3.649 1.00 0.00 O ATOM 0 H GLY A 83 -8.061 -15.106 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.052 -14.236 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.508 -15.928 -1.738 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.912 -14.553 -2.969 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.596 -14.767 -3.580 1.00 0.00 C ATOM 1368 C PHE A 84 -2.541 -13.840 -2.954 1.00 0.00 C ATOM 1369 O PHE A 84 -2.880 -12.942 -2.180 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.678 -14.521 -5.092 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.962 -15.759 -5.906 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.969 -16.697 -6.145 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.224 -15.978 -6.441 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.228 -17.826 -6.899 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.488 -17.106 -7.194 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.488 -18.030 -7.424 1.00 0.00 C ATOM 0 H PHE A 84 -5.007 -13.663 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.296 -15.799 -3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.458 -13.785 -5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.737 -14.086 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.981 -16.543 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.009 -15.258 -6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.445 -18.548 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.475 -17.265 -7.602 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.692 -18.911 -8.014 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.244 -14.053 -3.275 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.136 -13.239 -2.738 1.00 0.00 C ATOM 1388 C PRO A 85 -0.266 -11.748 -3.067 1.00 0.00 C ATOM 1389 O PRO A 85 -1.112 -11.346 -3.868 1.00 0.00 O ATOM 1390 CB PRO A 85 1.106 -13.824 -3.422 1.00 0.00 C ATOM 1391 CG PRO A 85 0.709 -15.198 -3.833 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.750 -15.112 -4.174 1.00 0.00 C ATOM 0 HA PRO A 85 -0.109 -13.282 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.401 -13.224 -4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.957 -13.846 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.293 -15.535 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.882 -15.913 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.904 -14.855 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.261 -16.059 -4.000 1.00 0.00 H new ATOM 1400 N LEU A 86 0.586 -10.941 -2.433 1.00 0.00 N ATOM 1401 CA LEU A 86 0.600 -9.489 -2.624 1.00 0.00 C ATOM 1402 C LEU A 86 2.038 -8.965 -2.592 1.00 0.00 C ATOM 1403 O LEU A 86 2.958 -9.689 -2.204 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.224 -8.800 -1.528 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.645 -9.339 -1.331 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.643 -10.517 -0.367 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.566 -8.241 -0.823 1.00 0.00 C ATOM 0 H LEU A 86 1.287 -11.276 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 86 0.159 -9.264 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.313 -8.889 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.287 -7.737 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.016 -9.684 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.661 -10.885 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.016 -11.314 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.250 -10.197 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.571 -8.642 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.194 -7.867 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.594 -7.426 -1.546 1.00 0.00 H new ATOM 1419 N ASP A 87 2.233 -7.706 -2.989 1.00 0.00 N ATOM 1420 CA ASP A 87 3.568 -7.108 -2.989 1.00 0.00 C ATOM 1421 C ASP A 87 3.502 -5.582 -2.968 1.00 0.00 C ATOM 1422 O ASP A 87 2.956 -4.964 -3.881 1.00 0.00 O ATOM 1423 CB ASP A 87 4.360 -7.577 -4.215 1.00 0.00 C ATOM 1424 CG ASP A 87 5.834 -7.221 -4.132 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.405 -7.286 -3.021 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.417 -6.873 -5.180 1.00 0.00 O ATOM 0 H ASP A 87 1.490 -7.086 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 87 4.075 -7.436 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.257 -8.657 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.932 -7.129 -5.112 1.00 0.00 H new ATOM 1431 N ILE A 88 4.067 -4.978 -1.922 1.00 0.00 N ATOM 1432 CA ILE A 88 4.074 -3.522 -1.792 1.00 0.00 C ATOM 1433 C ILE A 88 5.492 -2.964 -1.915 1.00 0.00 C ATOM 1434 O ILE A 88 6.325 -3.154 -1.027 1.00 0.00 O ATOM 1435 CB ILE A 88 3.446 -3.062 -0.454 1.00 0.00 C ATOM 1436 CG1 ILE A 88 4.179 -3.680 0.743 1.00 0.00 C ATOM 1437 CG2 ILE A 88 1.969 -3.421 -0.421 1.00 0.00 C ATOM 1438 CD1 ILE A 88 4.837 -2.657 1.644 1.00 0.00 C ATOM 0 H ILE A 88 4.524 -5.473 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 88 3.467 -3.130 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 88 3.548 -1.979 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.471 -4.266 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.938 -4.371 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.536 -3.093 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.456 -2.927 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.855 -4.501 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.336 -3.166 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.570 -2.087 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.080 -1.981 2.040 1.00 0.00 H new ATOM 1450 N SER A 89 5.759 -2.278 -3.029 1.00 0.00 N ATOM 1451 CA SER A 89 7.076 -1.691 -3.277 1.00 0.00 C ATOM 1452 C SER A 89 6.958 -0.183 -3.490 1.00 0.00 C ATOM 1453 O SER A 89 6.397 0.270 -4.489 1.00 0.00 O ATOM 1454 CB SER A 89 7.733 -2.349 -4.496 1.00 0.00 C ATOM 1455 OG SER A 89 6.762 -2.854 -5.403 1.00 0.00 O ATOM 0 H SER A 89 5.080 -2.116 -3.773 1.00 0.00 H new ATOM 0 HA SER A 89 7.703 -1.870 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.365 -1.622 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.382 -3.161 -4.167 1.00 0.00 H new ATOM 0 HG SER A 89 7.213 -3.265 -6.170 1.00 0.00 H new ATOM 1461 N VAL A 90 7.476 0.590 -2.537 1.00 0.00 N ATOM 1462 CA VAL A 90 7.413 2.048 -2.614 1.00 0.00 C ATOM 1463 C VAL A 90 8.770 2.652 -2.982 1.00 0.00 C ATOM 1464 O VAL A 90 9.818 2.142 -2.584 1.00 0.00 O ATOM 1465 CB VAL A 90 6.926 2.656 -1.281 1.00 0.00 C ATOM 1466 CG1 VAL A 90 6.649 4.147 -1.433 1.00 0.00 C ATOM 1467 CG2 VAL A 90 5.684 1.924 -0.787 1.00 0.00 C ATOM 0 H VAL A 90 7.943 0.232 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 90 6.698 2.291 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 90 7.716 2.535 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.307 4.553 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.562 4.658 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.879 4.299 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.352 2.364 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.890 2.013 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.920 0.871 -0.632 1.00 0.00 H new ATOM 1477 N PHE A 91 8.730 3.749 -3.741 1.00 0.00 N ATOM 1478 CA PHE A 91 9.938 4.452 -4.168 1.00 0.00 C ATOM 1479 C PHE A 91 9.785 5.947 -3.902 1.00 0.00 C ATOM 1480 O PHE A 91 8.669 6.470 -3.883 1.00 0.00 O ATOM 1481 CB PHE A 91 10.217 4.218 -5.660 1.00 0.00 C ATOM 1482 CG PHE A 91 10.623 2.811 -6.006 1.00 0.00 C ATOM 1483 CD1 PHE A 91 9.742 1.754 -5.837 1.00 0.00 C ATOM 1484 CD2 PHE A 91 11.888 2.548 -6.509 1.00 0.00 C ATOM 1485 CE1 PHE A 91 10.115 0.464 -6.161 1.00 0.00 C ATOM 1486 CE2 PHE A 91 12.266 1.259 -6.834 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.379 0.217 -6.660 1.00 0.00 C ATOM 0 H PHE A 91 7.864 4.172 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 91 10.780 4.061 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.323 4.475 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.005 4.899 -5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.752 1.941 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 91 12.586 3.360 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.419 -0.350 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.255 1.068 -7.224 1.00 0.00 H new ATOM 0 HZ PHE A 91 11.673 -0.791 -6.914 1.00 0.00 H new ATOM 1497 N LEU A 92 10.905 6.630 -3.698 1.00 0.00 N ATOM 1498 CA LEU A 92 10.886 8.064 -3.430 1.00 0.00 C ATOM 1499 C LEU A 92 12.053 8.768 -4.121 1.00 0.00 C ATOM 1500 O LEU A 92 11.854 9.716 -4.879 1.00 0.00 O ATOM 1501 CB LEU A 92 10.924 8.315 -1.922 1.00 0.00 C ATOM 1502 CG LEU A 92 10.846 9.784 -1.504 1.00 0.00 C ATOM 1503 CD1 LEU A 92 9.401 10.195 -1.270 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.686 10.031 -0.257 1.00 0.00 C ATOM 0 H LEU A 92 11.837 6.215 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 92 9.962 8.477 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.096 7.778 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.844 7.888 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 92 11.248 10.395 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.364 11.243 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.830 10.058 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.971 9.579 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.618 11.082 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.316 9.411 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.726 9.777 -0.463 1.00 0.00 H new ATOM 1516 N LEU A 93 13.269 8.295 -3.860 1.00 0.00 N ATOM 1517 CA LEU A 93 14.462 8.878 -4.466 1.00 0.00 C ATOM 1518 C LEU A 93 15.483 7.793 -4.792 1.00 0.00 C ATOM 1519 O LEU A 93 15.718 7.478 -5.958 1.00 0.00 O ATOM 1520 CB LEU A 93 15.086 9.924 -3.532 1.00 0.00 C ATOM 1521 CG LEU A 93 14.859 11.381 -3.945 1.00 0.00 C ATOM 1522 CD1 LEU A 93 13.488 11.858 -3.494 1.00 0.00 C ATOM 1523 CD2 LEU A 93 15.954 12.274 -3.377 1.00 0.00 C ATOM 0 H LEU A 93 13.454 7.511 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 93 14.166 9.369 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.683 9.780 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 93 16.159 9.742 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 93 14.899 11.440 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.346 12.895 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.718 11.237 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.416 11.784 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.776 13.306 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.948 12.210 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.923 11.946 -3.754 1.00 0.00 H new ATOM 1535 N GLU A 94 16.083 7.225 -3.750 1.00 0.00 N ATOM 1536 CA GLU A 94 17.081 6.174 -3.913 1.00 0.00 C ATOM 1537 C GLU A 94 17.274 5.404 -2.607 1.00 0.00 C ATOM 1538 O GLU A 94 17.238 4.172 -2.591 1.00 0.00 O ATOM 1539 CB GLU A 94 18.412 6.776 -4.370 1.00 0.00 C ATOM 1540 CG GLU A 94 19.157 5.915 -5.378 1.00 0.00 C ATOM 1541 CD GLU A 94 20.183 5.013 -4.721 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.260 5.518 -4.336 1.00 0.00 O ATOM 1543 OE2 GLU A 94 19.909 3.803 -4.585 1.00 0.00 O ATOM 0 H GLU A 94 15.894 7.477 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 94 16.726 5.479 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.226 7.756 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.048 6.933 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.442 5.305 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.654 6.558 -6.104 1.00 0.00 H new ATOM 1550 N LYS A 95 17.481 6.140 -1.514 1.00 0.00 N ATOM 1551 CA LYS A 95 17.680 5.536 -0.200 1.00 0.00 C ATOM 1552 C LYS A 95 16.969 6.334 0.901 1.00 0.00 C ATOM 1553 O LYS A 95 17.411 6.350 2.051 1.00 0.00 O ATOM 1554 CB LYS A 95 19.180 5.425 0.108 1.00 0.00 C ATOM 1555 CG LYS A 95 19.889 6.769 0.236 1.00 0.00 C ATOM 1556 CD LYS A 95 20.281 7.336 -1.121 1.00 0.00 C ATOM 1557 CE LYS A 95 21.051 8.640 -0.980 1.00 0.00 C ATOM 1558 NZ LYS A 95 20.143 9.822 -0.907 1.00 0.00 N ATOM 0 H LYS A 95 17.515 7.159 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 95 17.243 4.538 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.309 4.868 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.660 4.846 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.237 7.476 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.781 6.652 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 95 20.890 6.609 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 95 19.385 7.504 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 95 21.668 8.601 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 95 21.728 8.755 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 20.709 10.689 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.572 9.875 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.514 9.727 -0.084 1.00 0.00 H new ATOM 1572 N ALA A 96 15.860 6.988 0.544 1.00 0.00 N ATOM 1573 CA ALA A 96 15.088 7.780 1.505 1.00 0.00 C ATOM 1574 C ALA A 96 13.897 6.985 2.037 1.00 0.00 C ATOM 1575 O ALA A 96 13.641 6.968 3.243 1.00 0.00 O ATOM 1576 CB ALA A 96 14.617 9.083 0.870 1.00 0.00 C ATOM 0 H ALA A 96 15.477 6.985 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 96 15.740 8.019 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.046 9.657 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.481 9.664 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.987 8.861 0.009 1.00 0.00 H new ATOM 1582 N GLY A 97 13.175 6.328 1.131 1.00 0.00 N ATOM 1583 CA GLY A 97 12.022 5.532 1.521 1.00 0.00 C ATOM 1584 C GLY A 97 11.664 4.489 0.480 1.00 0.00 C ATOM 1585 O GLY A 97 10.491 4.299 0.157 1.00 0.00 O ATOM 0 H GLY A 97 13.369 6.333 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.229 5.038 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.167 6.189 1.683 1.00 0.00 H new ATOM 1589 N GLU A 98 12.685 3.818 -0.053 1.00 0.00 N ATOM 1590 CA GLU A 98 12.490 2.792 -1.071 1.00 0.00 C ATOM 1591 C GLU A 98 12.554 1.394 -0.457 1.00 0.00 C ATOM 1592 O GLU A 98 13.641 0.864 -0.218 1.00 0.00 O ATOM 1593 CB GLU A 98 13.550 2.938 -2.166 1.00 0.00 C ATOM 1594 CG GLU A 98 13.123 2.390 -3.515 1.00 0.00 C ATOM 1595 CD GLU A 98 14.306 2.007 -4.383 1.00 0.00 C ATOM 1596 OE1 GLU A 98 14.875 2.907 -5.038 1.00 0.00 O ATOM 1597 OE2 GLU A 98 14.660 0.809 -4.408 1.00 0.00 O ATOM 0 H GLU A 98 13.660 3.970 0.207 1.00 0.00 H new ATOM 0 HA GLU A 98 11.501 2.924 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.800 3.993 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.459 2.426 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.488 1.517 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.522 3.137 -4.034 1.00 0.00 H new ATOM 1604 N ARG A 99 11.386 0.800 -0.200 1.00 0.00 N ATOM 1605 CA ARG A 99 11.318 -0.537 0.390 1.00 0.00 C ATOM 1606 C ARG A 99 10.168 -1.353 -0.201 1.00 0.00 C ATOM 1607 O ARG A 99 9.136 -0.800 -0.586 1.00 0.00 O ATOM 1608 CB ARG A 99 11.164 -0.443 1.911 1.00 0.00 C ATOM 1609 CG ARG A 99 12.462 -0.117 2.634 1.00 0.00 C ATOM 1610 CD ARG A 99 12.685 -1.035 3.828 1.00 0.00 C ATOM 1611 NE ARG A 99 12.985 -0.286 5.048 1.00 0.00 N ATOM 1612 CZ ARG A 99 13.542 -0.822 6.137 1.00 0.00 C ATOM 1613 NH1 ARG A 99 13.861 -2.113 6.170 1.00 0.00 N ATOM 1614 NH2 ARG A 99 13.780 -0.062 7.200 1.00 0.00 N ATOM 0 H ARG A 99 10.478 1.223 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 99 12.251 -1.048 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.424 0.322 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.775 -1.389 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.298 -0.211 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.441 0.920 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.796 -1.645 3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.506 -1.718 3.611 1.00 0.00 H new ATOM 0 HE ARG A 99 12.754 0.707 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.681 -2.704 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.286 -2.512 7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.537 0.929 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.205 -0.469 8.033 1.00 0.00 H new ATOM 1628 N LYS A 100 10.358 -2.674 -0.264 1.00 0.00 N ATOM 1629 CA LYS A 100 9.342 -3.578 -0.803 1.00 0.00 C ATOM 1630 C LYS A 100 9.155 -4.798 0.099 1.00 0.00 C ATOM 1631 O LYS A 100 10.130 -5.375 0.584 1.00 0.00 O ATOM 1632 CB LYS A 100 9.728 -4.031 -2.214 1.00 0.00 C ATOM 1633 CG LYS A 100 11.046 -4.794 -2.277 1.00 0.00 C ATOM 1634 CD LYS A 100 11.763 -4.565 -3.598 1.00 0.00 C ATOM 1635 CE LYS A 100 11.372 -5.606 -4.636 1.00 0.00 C ATOM 1636 NZ LYS A 100 12.374 -6.707 -4.732 1.00 0.00 N ATOM 0 H LYS A 100 11.208 -3.140 0.053 1.00 0.00 H new ATOM 0 HA LYS A 100 8.399 -3.033 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.934 -4.663 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.794 -3.156 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.689 -4.480 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.857 -5.859 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.526 -3.569 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.841 -4.597 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.398 -6.024 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.267 -5.126 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.068 -7.393 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.298 -6.313 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.456 -7.183 -3.811 1.00 0.00 H new ATOM 1650 N ILE A 101 7.896 -5.189 0.319 1.00 0.00 N ATOM 1651 CA ILE A 101 7.585 -6.343 1.166 1.00 0.00 C ATOM 1652 C ILE A 101 6.374 -7.114 0.636 1.00 0.00 C ATOM 1653 O ILE A 101 5.282 -6.557 0.504 1.00 0.00 O ATOM 1654 CB ILE A 101 7.304 -5.919 2.626 1.00 0.00 C ATOM 1655 CG1 ILE A 101 8.396 -4.973 3.136 1.00 0.00 C ATOM 1656 CG2 ILE A 101 7.196 -7.146 3.524 1.00 0.00 C ATOM 1657 CD1 ILE A 101 8.177 -4.504 4.558 1.00 0.00 C ATOM 0 H ILE A 101 7.079 -4.725 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 101 8.464 -6.988 1.143 1.00 0.00 H new ATOM 0 HB ILE A 101 6.353 -5.386 2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.360 -5.478 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.448 -4.104 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.998 -6.831 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.381 -7.781 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.131 -7.705 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.989 -3.838 4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.229 -3.971 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.155 -5.365 5.226 1.00 0.00 H new ATOM 1669 N PRO A 102 6.549 -8.417 0.334 1.00 0.00 N ATOM 1670 CA PRO A 102 5.465 -9.263 -0.172 1.00 0.00 C ATOM 1671 C PRO A 102 4.532 -9.742 0.942 1.00 0.00 C ATOM 1672 O PRO A 102 4.964 -9.958 2.077 1.00 0.00 O ATOM 1673 CB PRO A 102 6.215 -10.436 -0.796 1.00 0.00 C ATOM 1674 CG PRO A 102 7.459 -10.562 0.016 1.00 0.00 C ATOM 1675 CD PRO A 102 7.816 -9.167 0.464 1.00 0.00 C ATOM 0 HA PRO A 102 4.814 -8.734 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.623 -11.350 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.444 -10.247 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.299 -11.216 0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.265 -10.999 -0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.182 -9.158 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.601 -8.736 -0.158 1.00 0.00 H new ATOM 1683 N HIS A 103 3.251 -9.897 0.611 1.00 0.00 N ATOM 1684 CA HIS A 103 2.249 -10.339 1.583 1.00 0.00 C ATOM 1685 C HIS A 103 1.413 -11.497 1.028 1.00 0.00 C ATOM 1686 O HIS A 103 1.537 -11.855 -0.143 1.00 0.00 O ATOM 1687 CB HIS A 103 1.338 -9.164 1.963 1.00 0.00 C ATOM 1688 CG HIS A 103 1.848 -8.347 3.118 1.00 0.00 C ATOM 1689 ND1 HIS A 103 3.105 -8.511 3.669 1.00 0.00 N ATOM 1690 CD2 HIS A 103 1.258 -7.358 3.829 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.259 -7.662 4.668 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.154 -6.948 4.787 1.00 0.00 N ATOM 0 H HIS A 103 2.881 -9.723 -0.324 1.00 0.00 H new ATOM 0 HA HIS A 103 2.769 -10.695 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.218 -8.514 1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.349 -9.549 2.212 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.804 -9.183 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.265 -6.963 3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.141 -7.567 5.285 1.00 0.00 H new ATOM 1701 N ASP A 104 0.569 -12.087 1.878 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.280 -13.205 1.465 1.00 0.00 C ATOM 1703 C ASP A 104 -1.730 -12.980 1.891 1.00 0.00 C ATOM 1704 O ASP A 104 -1.992 -12.513 2.998 1.00 0.00 O ATOM 1705 CB ASP A 104 0.248 -14.521 2.053 1.00 0.00 C ATOM 1706 CG ASP A 104 0.156 -14.571 3.569 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.718 -13.671 4.231 1.00 0.00 O ATOM 1708 OD2 ASP A 104 -0.477 -15.510 4.095 1.00 0.00 O ATOM 0 H ASP A 104 0.456 -11.810 2.853 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.251 -13.267 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.316 -15.353 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.287 -14.656 1.753 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.668 -13.318 1.003 1.00 0.00 N ATOM 1714 CA LEU A 105 -4.094 -13.157 1.290 1.00 0.00 C ATOM 1715 C LEU A 105 -4.865 -14.437 0.955 1.00 0.00 C ATOM 1716 O LEU A 105 -5.446 -14.558 -0.122 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.659 -11.969 0.499 1.00 0.00 C ATOM 1718 CG LEU A 105 -6.153 -11.701 0.698 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.371 -10.653 1.778 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.791 -11.265 -0.610 1.00 0.00 C ATOM 0 H LEU A 105 -2.465 -13.704 0.081 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.212 -12.960 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.106 -11.072 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.476 -12.140 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.630 -12.626 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.439 -10.477 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.948 -11.006 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.882 -9.723 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.853 -11.078 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.311 -10.352 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.668 -12.051 -1.355 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.864 -15.391 1.888 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.567 -16.662 1.686 1.00 0.00 C ATOM 1734 C ASN A 106 -5.821 -17.375 3.017 1.00 0.00 C ATOM 1735 O ASN A 106 -5.772 -18.605 3.089 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.758 -17.571 0.748 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.493 -17.917 -0.539 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -6.815 -18.057 -0.471 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -4.874 -18.066 -1.592 1.00 0.00 N flip ATOM 0 H ASN A 106 -4.388 -15.310 2.786 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.533 -16.443 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.817 -17.080 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.507 -18.492 1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.861 -17.951 -1.609 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.374 -18.304 -2.448 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.087 -16.604 4.075 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.332 -17.180 5.395 1.00 0.00 C ATOM 1748 C PHE A 107 -7.479 -16.477 6.120 1.00 0.00 C ATOM 1749 O PHE A 107 -7.524 -15.246 6.185 1.00 0.00 O ATOM 1750 CB PHE A 107 -5.058 -17.102 6.242 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.956 -18.006 5.758 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.169 -17.641 4.677 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.711 -19.218 6.382 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -2.158 -18.469 4.229 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -2.701 -20.050 5.939 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.924 -19.674 4.860 1.00 0.00 C ATOM 0 H PHE A 107 -6.137 -15.586 4.042 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.618 -18.222 5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.697 -16.073 6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.301 -17.359 7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.348 -16.699 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.317 -19.516 7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.551 -18.174 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.519 -20.992 6.435 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.134 -20.323 4.511 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.399 -17.275 6.672 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.543 -16.743 7.406 1.00 0.00 C ATOM 1768 C LEU A 108 -9.074 -15.894 8.586 1.00 0.00 C ATOM 1769 O LEU A 108 -8.287 -16.353 9.420 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.450 -17.883 7.897 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.771 -18.933 8.786 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.635 -19.247 9.997 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.480 -20.202 7.994 1.00 0.00 C ATOM 0 H LEU A 108 -8.370 -18.293 6.622 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.118 -16.111 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.283 -17.448 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.873 -18.387 7.028 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.824 -18.523 9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.137 -19.994 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.790 -18.338 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.599 -19.634 9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.999 -20.934 8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.414 -20.615 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.819 -19.967 7.160 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.550 -14.649 8.638 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.176 -13.714 9.698 1.00 0.00 C ATOM 1787 C GLN A 109 -7.723 -13.266 9.519 1.00 0.00 C ATOM 1788 O GLN A 109 -6.839 -13.645 10.291 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.394 -14.345 11.081 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.857 -13.353 12.139 1.00 0.00 C ATOM 1791 CD GLN A 109 -10.196 -14.021 13.459 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -9.452 -13.909 14.433 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.328 -14.716 13.501 1.00 0.00 N ATOM 0 H GLN A 109 -10.200 -14.264 7.953 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.816 -12.834 9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.132 -15.142 10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.463 -14.807 11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.076 -12.611 12.302 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.733 -12.818 11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.916 -14.784 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.609 -15.182 14.364 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.491 -12.455 8.485 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.158 -11.946 8.180 1.00 0.00 C ATOM 1804 C GLU A 110 -6.059 -10.469 8.531 1.00 0.00 C ATOM 1805 O GLU A 110 -6.977 -9.695 8.256 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.831 -12.142 6.695 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.412 -11.734 6.312 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.528 -12.930 6.012 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.824 -13.661 5.042 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.546 -13.142 6.750 1.00 0.00 O ATOM 0 H GLU A 110 -8.216 -12.137 7.842 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.439 -12.505 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.979 -13.191 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.537 -11.564 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.447 -11.083 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.972 -11.155 7.124 1.00 0.00 H new ATOM 1817 N SER A 111 -4.936 -10.089 9.127 1.00 0.00 N ATOM 1818 CA SER A 111 -4.698 -8.704 9.511 1.00 0.00 C ATOM 1819 C SER A 111 -3.260 -8.311 9.172 1.00 0.00 C ATOM 1820 O SER A 111 -2.411 -8.176 10.053 1.00 0.00 O ATOM 1821 CB SER A 111 -4.988 -8.513 11.001 1.00 0.00 C ATOM 1822 OG SER A 111 -4.158 -9.340 11.799 1.00 0.00 O ATOM 0 H SER A 111 -4.172 -10.725 9.356 1.00 0.00 H new ATOM 0 HA SER A 111 -5.370 -8.053 8.952 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.833 -7.469 11.273 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.034 -8.743 11.202 1.00 0.00 H new ATOM 0 HG SER A 111 -3.236 -9.294 11.469 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.003 -8.135 7.876 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.679 -7.768 7.393 1.00 0.00 C ATOM 1830 C TYR A 112 -1.680 -6.339 6.879 1.00 0.00 C ATOM 1831 O TYR A 112 -2.409 -6.003 5.946 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.234 -8.723 6.284 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.323 -9.835 6.755 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.666 -10.637 7.840 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.881 -10.083 6.112 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.167 -11.653 8.264 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.717 -11.094 6.531 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.358 -11.877 7.607 1.00 0.00 C ATOM 1839 OH TYR A 112 2.190 -12.892 8.018 1.00 0.00 O ATOM 0 H TYR A 112 -3.702 -8.242 7.141 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.977 -7.841 8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.118 -9.163 5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.721 -8.151 5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.598 -10.462 8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.168 -9.473 5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.113 -12.269 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.651 -11.273 6.018 1.00 0.00 H new ATOM 0 HH TYR A 112 2.986 -12.914 7.447 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.862 -5.502 7.499 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.773 -4.099 7.112 1.00 0.00 C ATOM 1851 C GLU A 113 0.607 -3.510 7.422 1.00 0.00 C ATOM 1852 O GLU A 113 1.108 -3.619 8.543 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.891 -3.305 7.801 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.593 -2.903 9.241 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.853 -2.640 10.048 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.696 -3.558 10.153 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.998 -1.515 10.574 1.00 0.00 O ATOM 0 H GLU A 113 -0.251 -5.768 8.271 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.904 -4.028 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.089 -2.404 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.804 -3.901 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.016 -3.693 9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.971 -2.008 9.243 1.00 0.00 H new ATOM 1864 N VAL A 114 1.217 -2.897 6.404 1.00 0.00 N ATOM 1865 CA VAL A 114 2.545 -2.296 6.542 1.00 0.00 C ATOM 1866 C VAL A 114 2.470 -0.775 6.637 1.00 0.00 C ATOM 1867 O VAL A 114 1.623 -0.140 6.004 1.00 0.00 O ATOM 1868 CB VAL A 114 3.467 -2.660 5.356 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.900 -2.228 5.642 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.406 -4.149 5.058 1.00 0.00 C ATOM 0 H VAL A 114 0.810 -2.804 5.473 1.00 0.00 H new ATOM 0 HA VAL A 114 2.960 -2.701 7.465 1.00 0.00 H new ATOM 0 HB VAL A 114 3.114 -2.125 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.535 -2.492 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.931 -1.149 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.260 -2.733 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.063 -4.379 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.728 -4.709 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.383 -4.428 4.804 1.00 0.00 H new ATOM 1880 N GLU A 115 3.380 -0.201 7.423 1.00 0.00 N ATOM 1881 CA GLU A 115 3.449 1.243 7.603 1.00 0.00 C ATOM 1882 C GLU A 115 4.891 1.734 7.458 1.00 0.00 C ATOM 1883 O GLU A 115 5.730 1.486 8.326 1.00 0.00 O ATOM 1884 CB GLU A 115 2.890 1.632 8.975 1.00 0.00 C ATOM 1885 CG GLU A 115 1.373 1.508 9.068 1.00 0.00 C ATOM 1886 CD GLU A 115 0.897 0.744 10.294 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.641 0.689 11.295 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.231 0.205 10.251 1.00 0.00 O ATOM 0 H GLU A 115 4.083 -0.721 7.948 1.00 0.00 H new ATOM 0 HA GLU A 115 2.844 1.718 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.346 1.000 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.178 2.659 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.936 2.506 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.002 1.009 8.173 1.00 0.00 H new ATOM 1895 N HIS A 116 5.167 2.426 6.352 1.00 0.00 N ATOM 1896 CA HIS A 116 6.507 2.954 6.082 1.00 0.00 C ATOM 1897 C HIS A 116 6.507 4.481 6.111 1.00 0.00 C ATOM 1898 O HIS A 116 5.752 5.123 5.381 1.00 0.00 O ATOM 1899 CB HIS A 116 7.002 2.460 4.720 1.00 0.00 C ATOM 1900 CG HIS A 116 7.967 1.317 4.806 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.753 0.107 4.182 1.00 0.00 N ATOM 1902 CD2 HIS A 116 9.161 1.207 5.437 1.00 0.00 C ATOM 1903 CE1 HIS A 116 8.771 -0.698 4.426 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.639 -0.055 5.185 1.00 0.00 N ATOM 0 H HIS A 116 4.480 2.635 5.627 1.00 0.00 H new ATOM 0 HA HIS A 116 7.178 2.594 6.862 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.144 2.155 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.479 3.288 4.195 1.00 0.00 H new ATOM 0 HD1 HIS A 116 6.936 -0.130 3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 116 9.646 1.970 6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.876 -1.711 4.066 1.00 0.00 H new ATOM 1913 N VAL A 117 7.361 5.061 6.960 1.00 0.00 N ATOM 1914 CA VAL A 117 7.459 6.516 7.086 1.00 0.00 C ATOM 1915 C VAL A 117 8.707 7.063 6.382 1.00 0.00 C ATOM 1916 O VAL A 117 9.771 6.441 6.408 1.00 0.00 O ATOM 1917 CB VAL A 117 7.477 6.953 8.570 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.706 6.406 9.284 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.414 8.470 8.691 1.00 0.00 C ATOM 0 H VAL A 117 7.994 4.544 7.570 1.00 0.00 H new ATOM 0 HA VAL A 117 6.574 6.930 6.603 1.00 0.00 H new ATOM 0 HB VAL A 117 6.592 6.537 9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.695 6.727 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.698 5.317 9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.606 6.782 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.428 8.752 9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.273 8.911 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.496 8.834 8.230 1.00 0.00 H new ATOM 1929 N ILE A 118 8.562 8.235 5.759 1.00 0.00 N ATOM 1930 CA ILE A 118 9.663 8.883 5.044 1.00 0.00 C ATOM 1931 C ILE A 118 9.782 10.354 5.450 1.00 0.00 C ATOM 1932 O ILE A 118 8.842 11.131 5.276 1.00 0.00 O ATOM 1933 CB ILE A 118 9.471 8.809 3.514 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.095 7.387 3.081 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.732 9.273 2.797 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.603 7.174 2.932 1.00 0.00 C ATOM 0 H ILE A 118 7.686 8.757 5.736 1.00 0.00 H new ATOM 0 HA ILE A 118 10.573 8.347 5.314 1.00 0.00 H new ATOM 0 HB ILE A 118 8.653 9.474 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.582 7.164 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.484 6.679 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.580 9.215 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.952 10.303 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.568 8.634 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.411 6.146 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.111 7.365 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.211 7.858 2.179 1.00 0.00 H new ATOM 1948 N GLN A 119 10.945 10.735 5.984 1.00 0.00 N ATOM 1949 CA GLN A 119 11.178 12.118 6.407 1.00 0.00 C ATOM 1950 C GLN A 119 12.458 12.685 5.787 1.00 0.00 C ATOM 1951 O GLN A 119 13.546 12.142 5.987 1.00 0.00 O ATOM 1952 CB GLN A 119 11.246 12.208 7.937 1.00 0.00 C ATOM 1953 CG GLN A 119 12.370 11.389 8.563 1.00 0.00 C ATOM 1954 CD GLN A 119 13.603 12.222 8.879 1.00 0.00 C ATOM 1955 OE1 GLN A 119 13.529 13.446 8.983 1.00 0.00 O ATOM 1956 NE2 GLN A 119 14.742 11.558 9.038 1.00 0.00 N ATOM 0 H GLN A 119 11.736 10.109 6.133 1.00 0.00 H new ATOM 0 HA GLN A 119 10.339 12.717 6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.370 13.252 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.295 11.875 8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.007 10.924 9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 119 12.647 10.582 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.758 10.543 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 119 15.601 12.063 9.255 1.00 0.00 H new ATOM 1965 N ILE A 120 12.316 13.782 5.037 1.00 0.00 N ATOM 1966 CA ILE A 120 13.464 14.428 4.393 1.00 0.00 C ATOM 1967 C ILE A 120 13.211 15.924 4.155 1.00 0.00 C ATOM 1968 O ILE A 120 13.144 16.377 3.009 1.00 0.00 O ATOM 1969 CB ILE A 120 13.820 13.760 3.043 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.561 13.546 2.196 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.549 12.443 3.271 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.809 13.677 0.709 1.00 0.00 C ATOM 0 H ILE A 120 11.422 14.240 4.861 1.00 0.00 H new ATOM 0 HA ILE A 120 14.302 14.309 5.080 1.00 0.00 H new ATOM 0 HB ILE A 120 14.487 14.427 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.156 12.555 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.803 14.269 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.790 11.989 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.469 12.628 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.911 11.768 3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.876 13.514 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.185 14.676 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.544 12.936 0.396 1.00 0.00 H new ATOM 1984 N PRO A 121 13.071 16.716 5.235 1.00 0.00 N ATOM 1985 CA PRO A 121 12.830 18.163 5.129 1.00 0.00 C ATOM 1986 C PRO A 121 14.018 18.922 4.535 1.00 0.00 C ATOM 1987 O PRO A 121 13.837 19.931 3.852 1.00 0.00 O ATOM 1988 CB PRO A 121 12.586 18.594 6.577 1.00 0.00 C ATOM 1989 CG PRO A 121 13.260 17.557 7.408 1.00 0.00 C ATOM 1990 CD PRO A 121 13.139 16.270 6.641 1.00 0.00 C ATOM 0 HA PRO A 121 11.999 18.382 4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.000 19.584 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.520 18.646 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.306 17.813 7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.788 17.474 8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.994 15.617 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.248 15.712 6.929 1.00 0.00 H new