USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 599 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 18 HIS : no HD1:sc= 0.934 K(o=2.2,f=-4.3!) USER MOD Set 1.2: A 33 TYR OH : rot -4:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.524 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 29:sc= 0.568 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.124 (180deg=-0.571) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -175:sc= -0.691 (180deg=-0.731) USER MOD Single : A 39 GLN : amide:sc= -1.67! C(o=-1.7!,f=-8.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.51) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= 0.0696 K(o=0.07,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 71 ASN : amide:sc= -0.874 K(o=-0.87,f=-3.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00949 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.154 15.033 -22.753 1.00 0.00 N ATOM 2 CA GLY A 1 10.319 13.848 -22.804 1.00 0.00 C ATOM 3 C GLY A 1 8.861 14.152 -22.520 1.00 0.00 C ATOM 4 O GLY A 1 8.507 14.548 -21.410 1.00 0.00 O ATOM 0 H1 GLY A 1 12.140 14.772 -22.954 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.826 15.719 -23.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.095 15.459 -21.806 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.406 13.388 -23.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.683 13.120 -22.079 1.00 0.00 H new ATOM 8 N SER A 2 8.013 13.970 -23.527 1.00 0.00 N ATOM 9 CA SER A 2 6.586 14.233 -23.382 1.00 0.00 C ATOM 10 C SER A 2 5.803 12.930 -23.257 1.00 0.00 C ATOM 11 O SER A 2 5.653 12.187 -24.228 1.00 0.00 O ATOM 12 CB SER A 2 6.071 15.038 -24.577 1.00 0.00 C ATOM 13 OG SER A 2 6.287 16.426 -24.388 1.00 0.00 O ATOM 0 H SER A 2 8.289 13.641 -24.452 1.00 0.00 H new ATOM 0 HA SER A 2 6.439 14.813 -22.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.575 14.709 -25.486 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.007 14.848 -24.716 1.00 0.00 H new ATOM 0 HG SER A 2 5.951 16.918 -25.166 1.00 0.00 H new ATOM 19 N SER A 3 5.305 12.658 -22.055 1.00 0.00 N ATOM 20 CA SER A 3 4.541 11.443 -21.801 1.00 0.00 C ATOM 21 C SER A 3 5.187 10.241 -22.483 1.00 0.00 C ATOM 22 O SER A 3 4.503 9.403 -23.067 1.00 0.00 O ATOM 23 CB SER A 3 3.101 11.609 -22.291 1.00 0.00 C ATOM 24 OG SER A 3 3.068 12.012 -23.649 1.00 0.00 O ATOM 0 H SER A 3 5.417 13.263 -21.242 1.00 0.00 H new ATOM 0 HA SER A 3 4.534 11.267 -20.725 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.563 10.668 -22.174 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.587 12.348 -21.676 1.00 0.00 H new ATOM 0 HG SER A 3 3.898 11.738 -24.092 1.00 0.00 H new ATOM 30 N GLY A 4 6.512 10.166 -22.404 1.00 0.00 N ATOM 31 CA GLY A 4 7.231 9.065 -23.018 1.00 0.00 C ATOM 32 C GLY A 4 7.191 7.805 -22.176 1.00 0.00 C ATOM 33 O GLY A 4 8.233 7.258 -21.816 1.00 0.00 O ATOM 0 H GLY A 4 7.100 10.848 -21.926 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.802 8.857 -23.998 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.268 9.358 -23.179 1.00 0.00 H new ATOM 37 N SER A 5 5.985 7.345 -21.859 1.00 0.00 N ATOM 38 CA SER A 5 5.813 6.145 -21.049 1.00 0.00 C ATOM 39 C SER A 5 4.402 5.583 -21.201 1.00 0.00 C ATOM 40 O SER A 5 3.418 6.320 -21.132 1.00 0.00 O ATOM 41 CB SER A 5 6.095 6.453 -19.577 1.00 0.00 C ATOM 42 OG SER A 5 6.214 5.261 -18.820 1.00 0.00 O ATOM 0 H SER A 5 5.112 7.785 -22.151 1.00 0.00 H new ATOM 0 HA SER A 5 6.523 5.396 -21.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.014 7.034 -19.493 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.291 7.067 -19.170 1.00 0.00 H new ATOM 0 HG SER A 5 6.396 5.485 -17.883 1.00 0.00 H new ATOM 48 N SER A 6 4.313 4.274 -21.410 1.00 0.00 N ATOM 49 CA SER A 6 3.024 3.613 -21.576 1.00 0.00 C ATOM 50 C SER A 6 2.584 2.945 -20.277 1.00 0.00 C ATOM 51 O SER A 6 3.407 2.438 -19.516 1.00 0.00 O ATOM 52 CB SER A 6 3.101 2.573 -22.696 1.00 0.00 C ATOM 53 OG SER A 6 1.897 1.830 -22.786 1.00 0.00 O ATOM 0 H SER A 6 5.118 3.650 -21.468 1.00 0.00 H new ATOM 0 HA SER A 6 2.287 4.371 -21.842 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.297 3.071 -23.646 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.936 1.897 -22.512 1.00 0.00 H new ATOM 0 HG SER A 6 1.971 1.174 -23.510 1.00 0.00 H new ATOM 59 N GLY A 7 1.277 2.949 -20.029 1.00 0.00 N ATOM 60 CA GLY A 7 0.749 2.342 -18.822 1.00 0.00 C ATOM 61 C GLY A 7 -0.104 3.301 -18.016 1.00 0.00 C ATOM 62 O GLY A 7 -1.293 3.467 -18.291 1.00 0.00 O ATOM 0 H GLY A 7 0.575 3.362 -20.643 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.155 1.468 -19.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.575 1.989 -18.205 1.00 0.00 H new ATOM 66 N CYS A 8 0.502 3.934 -17.017 1.00 0.00 N ATOM 67 CA CYS A 8 -0.211 4.880 -16.167 1.00 0.00 C ATOM 68 C CYS A 8 0.752 5.887 -15.546 1.00 0.00 C ATOM 69 O CYS A 8 1.968 5.695 -15.572 1.00 0.00 O ATOM 70 CB CYS A 8 -0.970 4.137 -15.066 1.00 0.00 C ATOM 71 SG CYS A 8 -2.593 3.522 -15.575 1.00 0.00 S ATOM 0 H CYS A 8 1.485 3.809 -16.776 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.924 5.422 -16.788 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.365 3.296 -14.726 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.097 4.804 -14.213 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.584 3.280 -16.852 1.00 0.00 H new ATOM 77 N SER A 9 0.201 6.961 -14.990 1.00 0.00 N ATOM 78 CA SER A 9 1.012 8.001 -14.368 1.00 0.00 C ATOM 79 C SER A 9 0.622 8.191 -12.905 1.00 0.00 C ATOM 80 O SER A 9 -0.246 8.997 -12.567 1.00 0.00 O ATOM 81 CB SER A 9 0.855 9.321 -15.125 1.00 0.00 C ATOM 82 OG SER A 9 1.690 10.326 -14.577 1.00 0.00 O ATOM 0 H SER A 9 -0.804 7.134 -14.958 1.00 0.00 H new ATOM 0 HA SER A 9 2.055 7.688 -14.411 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.102 9.172 -16.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.185 9.646 -15.084 1.00 0.00 H new ATOM 0 HG SER A 9 1.572 11.159 -15.079 1.00 0.00 H new ATOM 88 N PRO A 10 1.278 7.431 -12.015 1.00 0.00 N ATOM 89 CA PRO A 10 1.018 7.498 -10.574 1.00 0.00 C ATOM 90 C PRO A 10 1.499 8.807 -9.958 1.00 0.00 C ATOM 91 O PRO A 10 2.664 9.179 -10.097 1.00 0.00 O ATOM 92 CB PRO A 10 1.817 6.318 -10.015 1.00 0.00 C ATOM 93 CG PRO A 10 2.906 6.094 -11.008 1.00 0.00 C ATOM 94 CD PRO A 10 2.324 6.450 -12.348 1.00 0.00 C ATOM 0 HA PRO A 10 -0.048 7.454 -10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.221 6.545 -9.029 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.191 5.432 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.774 6.714 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.242 5.057 -10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.076 6.874 -13.013 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.910 5.576 -12.851 1.00 0.00 H new ATOM 102 N VAL A 11 0.594 9.502 -9.276 1.00 0.00 N ATOM 103 CA VAL A 11 0.927 10.770 -8.637 1.00 0.00 C ATOM 104 C VAL A 11 1.107 10.597 -7.133 1.00 0.00 C ATOM 105 O VAL A 11 0.318 9.914 -6.478 1.00 0.00 O ATOM 106 CB VAL A 11 -0.160 11.831 -8.894 1.00 0.00 C ATOM 107 CG1 VAL A 11 -1.501 11.365 -8.346 1.00 0.00 C ATOM 108 CG2 VAL A 11 0.242 13.164 -8.283 1.00 0.00 C ATOM 0 H VAL A 11 -0.375 9.209 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 11 1.866 11.108 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.263 11.968 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.257 12.127 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.791 10.436 -8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.417 11.198 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.537 13.902 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.374 13.046 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.178 13.501 -8.729 1.00 0.00 H new ATOM 118 N ARG A 12 2.148 11.219 -6.592 1.00 0.00 N ATOM 119 CA ARG A 12 2.433 11.133 -5.165 1.00 0.00 C ATOM 120 C ARG A 12 2.167 9.725 -4.641 1.00 0.00 C ATOM 121 O ARG A 12 1.673 9.549 -3.528 1.00 0.00 O ATOM 122 CB ARG A 12 1.583 12.145 -4.392 1.00 0.00 C ATOM 123 CG ARG A 12 2.018 13.587 -4.596 1.00 0.00 C ATOM 124 CD ARG A 12 3.247 13.921 -3.767 1.00 0.00 C ATOM 125 NE ARG A 12 4.022 15.013 -4.351 1.00 0.00 N ATOM 126 CZ ARG A 12 5.184 15.432 -3.864 1.00 0.00 C ATOM 127 NH1 ARG A 12 5.704 14.854 -2.790 1.00 0.00 N ATOM 128 NH2 ARG A 12 5.829 16.432 -4.452 1.00 0.00 N ATOM 0 H ARG A 12 2.809 11.789 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 12 3.488 11.364 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.542 12.042 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.628 11.908 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.232 13.758 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.202 14.256 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.940 14.194 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.877 13.036 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 12 3.650 15.479 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.211 14.085 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.597 15.178 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.432 16.879 -5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.722 16.753 -4.077 1.00 0.00 H new ATOM 142 N GLU A 13 2.499 8.725 -5.453 1.00 0.00 N ATOM 143 CA GLU A 13 2.294 7.333 -5.071 1.00 0.00 C ATOM 144 C GLU A 13 3.116 6.981 -3.834 1.00 0.00 C ATOM 145 O GLU A 13 4.156 7.587 -3.574 1.00 0.00 O ATOM 146 CB GLU A 13 2.669 6.404 -6.227 1.00 0.00 C ATOM 147 CG GLU A 13 4.089 6.602 -6.732 1.00 0.00 C ATOM 148 CD GLU A 13 5.095 5.738 -5.997 1.00 0.00 C ATOM 149 OE1 GLU A 13 4.826 5.370 -4.835 1.00 0.00 O ATOM 150 OE2 GLU A 13 6.153 5.430 -6.586 1.00 0.00 O ATOM 0 H GLU A 13 2.910 8.853 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 13 1.238 7.200 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.548 5.370 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.974 6.564 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.127 6.372 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.367 7.650 -6.622 1.00 0.00 H new ATOM 157 N ARG A 14 2.642 5.999 -3.075 1.00 0.00 N ATOM 158 CA ARG A 14 3.331 5.567 -1.865 1.00 0.00 C ATOM 159 C ARG A 14 2.898 4.160 -1.465 1.00 0.00 C ATOM 160 O ARG A 14 1.832 3.691 -1.864 1.00 0.00 O ATOM 161 CB ARG A 14 3.054 6.543 -0.720 1.00 0.00 C ATOM 162 CG ARG A 14 4.160 6.588 0.322 1.00 0.00 C ATOM 163 CD ARG A 14 3.688 7.251 1.607 1.00 0.00 C ATOM 164 NE ARG A 14 3.874 8.700 1.575 1.00 0.00 N ATOM 165 CZ ARG A 14 3.775 9.477 2.648 1.00 0.00 C ATOM 166 NH1 ARG A 14 3.496 8.947 3.831 1.00 0.00 N ATOM 167 NH2 ARG A 14 3.958 10.786 2.539 1.00 0.00 N ATOM 0 H ARG A 14 1.783 5.487 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 14 4.401 5.553 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.913 7.542 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.119 6.264 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.500 5.575 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.015 7.133 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.634 7.024 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.235 6.834 2.452 1.00 0.00 H new ATOM 0 HE ARG A 14 4.092 9.139 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.357 7.940 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.421 9.546 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.175 11.197 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.882 11.382 3.363 1.00 0.00 H new ATOM 181 N ARG A 15 3.733 3.491 -0.676 1.00 0.00 N ATOM 182 CA ARG A 15 3.437 2.137 -0.224 1.00 0.00 C ATOM 183 C ARG A 15 4.013 1.891 1.167 1.00 0.00 C ATOM 184 O ARG A 15 5.098 2.373 1.496 1.00 0.00 O ATOM 185 CB ARG A 15 4.001 1.113 -1.210 1.00 0.00 C ATOM 186 CG ARG A 15 3.182 0.978 -2.483 1.00 0.00 C ATOM 187 CD ARG A 15 3.666 1.934 -3.562 1.00 0.00 C ATOM 188 NE ARG A 15 2.584 2.355 -4.447 1.00 0.00 N ATOM 189 CZ ARG A 15 2.781 2.890 -5.646 1.00 0.00 C ATOM 190 NH1 ARG A 15 4.014 3.069 -6.101 1.00 0.00 N ATOM 191 NH2 ARG A 15 1.745 3.248 -6.393 1.00 0.00 N ATOM 0 H ARG A 15 4.619 3.865 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 15 2.354 2.025 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.020 1.397 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.057 0.141 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.244 -0.047 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.133 1.176 -2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.114 2.811 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.447 1.452 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 15 1.624 2.231 -4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.813 2.795 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.163 3.480 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.795 3.112 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.898 3.659 -7.314 1.00 0.00 H new ATOM 205 N LEU A 16 3.280 1.138 1.981 1.00 0.00 N ATOM 206 CA LEU A 16 3.718 0.828 3.337 1.00 0.00 C ATOM 207 C LEU A 16 4.422 -0.525 3.386 1.00 0.00 C ATOM 208 O LEU A 16 3.923 -1.514 2.850 1.00 0.00 O ATOM 209 CB LEU A 16 2.523 0.828 4.292 1.00 0.00 C ATOM 210 CG LEU A 16 2.715 0.074 5.608 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.745 0.776 6.480 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.391 -0.059 6.346 1.00 0.00 C ATOM 0 H LEU A 16 2.380 0.731 1.725 1.00 0.00 H new ATOM 0 HA LEU A 16 4.425 1.597 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.268 1.862 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.668 0.398 3.771 1.00 0.00 H new ATOM 0 HG LEU A 16 3.083 -0.927 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.868 0.225 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.699 0.818 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.407 1.789 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.548 -0.598 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.994 0.933 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.682 -0.607 5.725 1.00 0.00 H new ATOM 224 N GLU A 17 5.582 -0.559 4.034 1.00 0.00 N ATOM 225 CA GLU A 17 6.353 -1.791 4.154 1.00 0.00 C ATOM 226 C GLU A 17 5.706 -2.742 5.156 1.00 0.00 C ATOM 227 O GLU A 17 5.441 -2.371 6.300 1.00 0.00 O ATOM 228 CB GLU A 17 7.789 -1.480 4.583 1.00 0.00 C ATOM 229 CG GLU A 17 8.789 -2.553 4.184 1.00 0.00 C ATOM 230 CD GLU A 17 10.171 -2.302 4.754 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.757 -1.244 4.445 1.00 0.00 O ATOM 232 OE2 GLU A 17 10.668 -3.164 5.509 1.00 0.00 O ATOM 0 H GLU A 17 6.008 0.251 4.483 1.00 0.00 H new ATOM 0 HA GLU A 17 6.370 -2.276 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.093 -0.530 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.817 -1.354 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.430 -3.524 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.851 -2.600 3.097 1.00 0.00 H new ATOM 239 N HIS A 18 5.454 -3.972 4.717 1.00 0.00 N ATOM 240 CA HIS A 18 4.838 -4.978 5.575 1.00 0.00 C ATOM 241 C HIS A 18 5.740 -6.201 5.712 1.00 0.00 C ATOM 242 O HIS A 18 6.225 -6.740 4.718 1.00 0.00 O ATOM 243 CB HIS A 18 3.478 -5.393 5.014 1.00 0.00 C ATOM 244 CG HIS A 18 2.757 -6.391 5.866 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.830 -6.034 6.822 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.831 -7.743 5.902 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.365 -7.122 7.410 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.957 -8.173 6.870 1.00 0.00 N ATOM 0 H HIS A 18 5.667 -4.295 3.773 1.00 0.00 H new ATOM 0 HA HIS A 18 4.697 -4.540 6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.855 -4.506 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.618 -5.812 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.460 -8.367 5.284 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.627 -7.148 8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.792 -9.145 7.130 1.00 0.00 H new ATOM 257 N GLN A 19 5.960 -6.632 6.950 1.00 0.00 N ATOM 258 CA GLN A 19 6.805 -7.790 7.217 1.00 0.00 C ATOM 259 C GLN A 19 6.102 -9.081 6.812 1.00 0.00 C ATOM 260 O GLN A 19 5.364 -9.672 7.601 1.00 0.00 O ATOM 261 CB GLN A 19 7.181 -7.843 8.698 1.00 0.00 C ATOM 262 CG GLN A 19 8.407 -8.696 8.984 1.00 0.00 C ATOM 263 CD GLN A 19 9.130 -8.272 10.248 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.901 -8.827 11.323 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.009 -7.285 10.124 1.00 0.00 N ATOM 0 H GLN A 19 5.565 -6.197 7.784 1.00 0.00 H new ATOM 0 HA GLN A 19 7.713 -7.690 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.363 -6.829 9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.336 -8.234 9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.106 -9.740 9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.093 -8.634 8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.167 -6.854 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.527 -6.958 10.940 1.00 0.00 H new ATOM 274 N LEU A 20 6.335 -9.514 5.577 1.00 0.00 N ATOM 275 CA LEU A 20 5.724 -10.736 5.067 1.00 0.00 C ATOM 276 C LEU A 20 6.247 -11.959 5.812 1.00 0.00 C ATOM 277 O LEU A 20 7.422 -12.308 5.703 1.00 0.00 O ATOM 278 CB LEU A 20 5.999 -10.880 3.569 1.00 0.00 C ATOM 279 CG LEU A 20 4.928 -11.609 2.756 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.734 -10.700 2.512 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.504 -12.103 1.437 1.00 0.00 C ATOM 0 H LEU A 20 6.943 -9.037 4.911 1.00 0.00 H new ATOM 0 HA LEU A 20 4.648 -10.669 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.131 -9.884 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.944 -11.408 3.443 1.00 0.00 H new ATOM 0 HG LEU A 20 4.590 -12.473 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.982 -11.235 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.307 -10.396 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.056 -9.816 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.728 -12.619 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.870 -11.254 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.327 -12.790 1.634 1.00 0.00 H new ATOM 293 N GLU A 21 5.366 -12.608 6.567 1.00 0.00 N ATOM 294 CA GLU A 21 5.740 -13.794 7.329 1.00 0.00 C ATOM 295 C GLU A 21 5.297 -15.065 6.610 1.00 0.00 C ATOM 296 O GLU A 21 4.420 -15.046 5.746 1.00 0.00 O ATOM 297 CB GLU A 21 5.123 -13.744 8.728 1.00 0.00 C ATOM 298 CG GLU A 21 5.977 -13.005 9.745 1.00 0.00 C ATOM 299 CD GLU A 21 5.357 -12.993 11.129 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.628 -13.930 11.908 1.00 0.00 O ATOM 301 OE2 GLU A 21 4.602 -12.046 11.431 1.00 0.00 O ATOM 0 H GLU A 21 4.389 -12.333 6.667 1.00 0.00 H new ATOM 0 HA GLU A 21 6.826 -13.809 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.147 -13.263 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.956 -14.762 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.961 -13.472 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.128 -11.979 9.410 1.00 0.00 H new ATOM 308 N PRO A 22 5.917 -16.197 6.974 1.00 0.00 N ATOM 309 CA PRO A 22 5.604 -17.498 6.377 1.00 0.00 C ATOM 310 C PRO A 22 4.225 -18.007 6.786 1.00 0.00 C ATOM 311 O PRO A 22 4.095 -18.792 7.723 1.00 0.00 O ATOM 312 CB PRO A 22 6.697 -18.415 6.931 1.00 0.00 C ATOM 313 CG PRO A 22 7.117 -17.775 8.209 1.00 0.00 C ATOM 314 CD PRO A 22 6.972 -16.293 7.998 1.00 0.00 C ATOM 0 HA PRO A 22 5.579 -17.451 5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.320 -19.424 7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.533 -18.499 6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.495 -18.114 9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.146 -18.035 8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.687 -15.782 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.904 -15.842 7.658 1.00 0.00 H new ATOM 322 N GLY A 23 3.197 -17.553 6.075 1.00 0.00 N ATOM 323 CA GLY A 23 1.842 -17.973 6.379 1.00 0.00 C ATOM 324 C GLY A 23 0.801 -17.024 5.818 1.00 0.00 C ATOM 325 O GLY A 23 -0.345 -17.411 5.593 1.00 0.00 O ATOM 0 H GLY A 23 3.279 -16.902 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.675 -18.971 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.720 -18.043 7.460 1.00 0.00 H new ATOM 329 N ASP A 24 1.200 -15.777 5.594 1.00 0.00 N ATOM 330 CA ASP A 24 0.294 -14.769 5.057 1.00 0.00 C ATOM 331 C ASP A 24 -0.135 -15.124 3.636 1.00 0.00 C ATOM 332 O ASP A 24 0.558 -15.860 2.933 1.00 0.00 O ATOM 333 CB ASP A 24 0.960 -13.392 5.072 1.00 0.00 C ATOM 334 CG ASP A 24 0.871 -12.721 6.428 1.00 0.00 C ATOM 335 OD1 ASP A 24 -0.212 -12.193 6.759 1.00 0.00 O ATOM 336 OD2 ASP A 24 1.883 -12.724 7.159 1.00 0.00 O ATOM 0 H ASP A 24 2.145 -15.440 5.776 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.593 -14.742 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.008 -13.495 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.489 -12.755 4.323 1.00 0.00 H new ATOM 341 N THR A 25 -1.282 -14.598 3.220 1.00 0.00 N ATOM 342 CA THR A 25 -1.805 -14.862 1.885 1.00 0.00 C ATOM 343 C THR A 25 -2.322 -13.584 1.235 1.00 0.00 C ATOM 344 O THR A 25 -2.882 -12.716 1.907 1.00 0.00 O ATOM 345 CB THR A 25 -2.940 -15.901 1.922 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.678 -15.779 3.143 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.386 -17.313 1.798 1.00 0.00 C ATOM 0 H THR A 25 -1.867 -13.986 3.789 1.00 0.00 H new ATOM 0 HA THR A 25 -0.979 -15.258 1.294 1.00 0.00 H new ATOM 0 HB THR A 25 -3.602 -15.712 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.399 -16.443 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.207 -18.030 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.851 -17.412 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.703 -17.510 2.625 1.00 0.00 H new ATOM 355 N LEU A 26 -2.131 -13.473 -0.075 1.00 0.00 N ATOM 356 CA LEU A 26 -2.580 -12.300 -0.817 1.00 0.00 C ATOM 357 C LEU A 26 -3.941 -11.827 -0.317 1.00 0.00 C ATOM 358 O LEU A 26 -4.083 -10.697 0.151 1.00 0.00 O ATOM 359 CB LEU A 26 -2.655 -12.616 -2.312 1.00 0.00 C ATOM 360 CG LEU A 26 -1.344 -12.492 -3.090 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.337 -13.443 -4.277 1.00 0.00 C ATOM 362 CD2 LEU A 26 -1.131 -11.058 -3.552 1.00 0.00 C ATOM 0 H LEU A 26 -1.668 -14.181 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.857 -11.500 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.030 -13.633 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.389 -11.951 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.523 -12.764 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.397 -13.341 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.442 -14.468 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.167 -13.202 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.193 -10.989 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.956 -10.758 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.091 -10.399 -2.685 1.00 0.00 H new ATOM 374 N ALA A 27 -4.938 -12.699 -0.417 1.00 0.00 N ATOM 375 CA ALA A 27 -6.287 -12.372 0.029 1.00 0.00 C ATOM 376 C ALA A 27 -6.274 -11.802 1.443 1.00 0.00 C ATOM 377 O ALA A 27 -7.082 -10.938 1.782 1.00 0.00 O ATOM 378 CB ALA A 27 -7.178 -13.603 -0.037 1.00 0.00 C ATOM 0 H ALA A 27 -4.837 -13.638 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.689 -11.610 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.182 -13.344 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.221 -13.966 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.770 -14.382 0.607 1.00 0.00 H new ATOM 384 N GLY A 28 -5.351 -12.291 2.266 1.00 0.00 N ATOM 385 CA GLY A 28 -5.252 -11.819 3.634 1.00 0.00 C ATOM 386 C GLY A 28 -4.880 -10.351 3.716 1.00 0.00 C ATOM 387 O GLY A 28 -5.630 -9.542 4.264 1.00 0.00 O ATOM 0 H GLY A 28 -4.670 -13.006 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.204 -11.978 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.506 -12.410 4.166 1.00 0.00 H new ATOM 391 N LEU A 29 -3.719 -10.006 3.171 1.00 0.00 N ATOM 392 CA LEU A 29 -3.247 -8.626 3.185 1.00 0.00 C ATOM 393 C LEU A 29 -4.260 -7.697 2.523 1.00 0.00 C ATOM 394 O LEU A 29 -4.591 -6.640 3.059 1.00 0.00 O ATOM 395 CB LEU A 29 -1.898 -8.519 2.471 1.00 0.00 C ATOM 396 CG LEU A 29 -0.813 -9.491 2.938 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.402 -9.412 2.027 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.421 -9.200 4.379 1.00 0.00 C ATOM 0 H LEU A 29 -3.087 -10.663 2.714 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.126 -8.321 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.061 -8.673 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.524 -7.502 2.593 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.213 -10.504 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.163 -10.110 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.111 -9.670 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.804 -8.399 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.352 -9.901 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.040 -8.182 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.294 -9.309 5.023 1.00 0.00 H new ATOM 410 N ALA A 30 -4.750 -8.101 1.355 1.00 0.00 N ATOM 411 CA ALA A 30 -5.729 -7.307 0.622 1.00 0.00 C ATOM 412 C ALA A 30 -6.788 -6.739 1.560 1.00 0.00 C ATOM 413 O ALA A 30 -6.911 -5.522 1.710 1.00 0.00 O ATOM 414 CB ALA A 30 -6.381 -8.148 -0.466 1.00 0.00 C ATOM 0 H ALA A 30 -4.485 -8.973 0.896 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.208 -6.471 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.110 -7.543 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.618 -8.501 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.883 -9.003 -0.013 1.00 0.00 H new ATOM 420 N LEU A 31 -7.551 -7.625 2.190 1.00 0.00 N ATOM 421 CA LEU A 31 -8.602 -7.211 3.114 1.00 0.00 C ATOM 422 C LEU A 31 -8.005 -6.609 4.382 1.00 0.00 C ATOM 423 O LEU A 31 -8.465 -5.575 4.868 1.00 0.00 O ATOM 424 CB LEU A 31 -9.492 -8.402 3.472 1.00 0.00 C ATOM 425 CG LEU A 31 -10.019 -9.224 2.295 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.219 -10.675 2.704 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.319 -8.632 1.770 1.00 0.00 C ATOM 0 H LEU A 31 -7.462 -8.635 2.078 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.206 -6.449 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.930 -9.065 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.345 -8.034 4.043 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.279 -9.192 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.594 -11.244 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.268 -11.095 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.938 -10.727 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.679 -9.230 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.066 -8.632 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.144 -7.609 1.437 1.00 0.00 H new ATOM 439 N LYS A 32 -6.976 -7.261 4.913 1.00 0.00 N ATOM 440 CA LYS A 32 -6.313 -6.789 6.123 1.00 0.00 C ATOM 441 C LYS A 32 -6.252 -5.265 6.151 1.00 0.00 C ATOM 442 O LYS A 32 -6.415 -4.647 7.203 1.00 0.00 O ATOM 443 CB LYS A 32 -4.899 -7.367 6.213 1.00 0.00 C ATOM 444 CG LYS A 32 -4.125 -6.897 7.432 1.00 0.00 C ATOM 445 CD LYS A 32 -2.861 -7.713 7.639 1.00 0.00 C ATOM 446 CE LYS A 32 -2.244 -7.447 9.004 1.00 0.00 C ATOM 447 NZ LYS A 32 -3.171 -7.808 10.112 1.00 0.00 N ATOM 0 H LYS A 32 -6.583 -8.118 4.524 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.894 -7.128 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.961 -8.455 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.346 -7.093 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.865 -5.845 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.757 -6.973 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.092 -8.774 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.139 -7.472 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.321 -8.018 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.977 -6.393 9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.624 -7.989 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.834 -7.024 10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.704 -8.663 9.854 1.00 0.00 H new ATOM 461 N TYR A 33 -6.019 -4.665 4.989 1.00 0.00 N ATOM 462 CA TYR A 33 -5.936 -3.213 4.881 1.00 0.00 C ATOM 463 C TYR A 33 -7.224 -2.636 4.300 1.00 0.00 C ATOM 464 O TYR A 33 -7.762 -1.654 4.808 1.00 0.00 O ATOM 465 CB TYR A 33 -4.745 -2.813 4.008 1.00 0.00 C ATOM 466 CG TYR A 33 -3.405 -3.054 4.666 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.857 -4.330 4.723 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.686 -2.007 5.228 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.634 -4.555 5.323 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.461 -2.223 5.829 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.940 -3.499 5.874 1.00 0.00 C ATOM 472 OH TYR A 33 0.280 -3.719 6.472 1.00 0.00 O ATOM 0 H TYR A 33 -5.884 -5.162 4.108 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.796 -2.806 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.787 -3.371 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.831 -1.757 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.397 -5.159 4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.092 -1.007 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.223 -5.553 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.915 -1.398 6.261 1.00 0.00 H new ATOM 0 HH TYR A 33 0.475 -4.679 6.475 1.00 0.00 H new ATOM 482 N GLY A 34 -7.712 -3.256 3.229 1.00 0.00 N ATOM 483 CA GLY A 34 -8.932 -2.791 2.596 1.00 0.00 C ATOM 484 C GLY A 34 -8.864 -2.863 1.083 1.00 0.00 C ATOM 485 O GLY A 34 -9.878 -2.717 0.401 1.00 0.00 O ATOM 0 H GLY A 34 -7.284 -4.071 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.772 -3.391 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.126 -1.762 2.899 1.00 0.00 H new ATOM 489 N VAL A 35 -7.664 -3.087 0.556 1.00 0.00 N ATOM 490 CA VAL A 35 -7.467 -3.177 -0.885 1.00 0.00 C ATOM 491 C VAL A 35 -7.659 -4.607 -1.378 1.00 0.00 C ATOM 492 O VAL A 35 -7.874 -5.525 -0.586 1.00 0.00 O ATOM 493 CB VAL A 35 -6.063 -2.690 -1.291 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.811 -1.287 -0.762 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.999 -3.656 -0.791 1.00 0.00 C ATOM 0 H VAL A 35 -6.814 -3.209 1.106 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.215 -2.533 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.009 -2.657 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.814 -0.960 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.554 -0.604 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.883 -1.290 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.013 -3.297 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.050 -3.723 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.170 -4.642 -1.223 1.00 0.00 H new ATOM 505 N THR A 36 -7.579 -4.790 -2.692 1.00 0.00 N ATOM 506 CA THR A 36 -7.744 -6.108 -3.292 1.00 0.00 C ATOM 507 C THR A 36 -6.397 -6.714 -3.669 1.00 0.00 C ATOM 508 O THR A 36 -5.445 -5.995 -3.970 1.00 0.00 O ATOM 509 CB THR A 36 -8.636 -6.047 -4.546 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.970 -7.372 -4.975 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.933 -5.306 -5.674 1.00 0.00 C ATOM 0 H THR A 36 -7.401 -4.041 -3.362 1.00 0.00 H new ATOM 0 HA THR A 36 -8.225 -6.737 -2.543 1.00 0.00 H new ATOM 0 HB THR A 36 -9.548 -5.508 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.539 -7.324 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.582 -5.275 -6.549 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.706 -4.289 -5.355 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.007 -5.822 -5.927 1.00 0.00 H new ATOM 519 N MET A 37 -6.325 -8.041 -3.650 1.00 0.00 N ATOM 520 CA MET A 37 -5.093 -8.743 -3.993 1.00 0.00 C ATOM 521 C MET A 37 -4.513 -8.217 -5.302 1.00 0.00 C ATOM 522 O MET A 37 -3.402 -7.689 -5.330 1.00 0.00 O ATOM 523 CB MET A 37 -5.352 -10.247 -4.104 1.00 0.00 C ATOM 524 CG MET A 37 -5.986 -10.848 -2.860 1.00 0.00 C ATOM 525 SD MET A 37 -6.972 -12.314 -3.222 1.00 0.00 S ATOM 526 CE MET A 37 -5.775 -13.319 -4.098 1.00 0.00 C ATOM 0 H MET A 37 -7.104 -8.651 -3.401 1.00 0.00 H new ATOM 0 HA MET A 37 -4.369 -8.564 -3.198 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.002 -10.433 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.409 -10.756 -4.303 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.203 -11.108 -2.148 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.617 -10.100 -2.381 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.259 -14.223 -4.466 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.372 -12.755 -4.939 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.964 -13.591 -3.422 1.00 0.00 H new ATOM 536 N GLU A 38 -5.272 -8.366 -6.383 1.00 0.00 N ATOM 537 CA GLU A 38 -4.831 -7.906 -7.694 1.00 0.00 C ATOM 538 C GLU A 38 -4.051 -6.600 -7.579 1.00 0.00 C ATOM 539 O GLU A 38 -2.904 -6.510 -8.016 1.00 0.00 O ATOM 540 CB GLU A 38 -6.033 -7.716 -8.623 1.00 0.00 C ATOM 541 CG GLU A 38 -5.650 -7.510 -10.079 1.00 0.00 C ATOM 542 CD GLU A 38 -4.837 -8.662 -10.637 1.00 0.00 C ATOM 543 OE1 GLU A 38 -5.185 -9.827 -10.353 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.853 -8.397 -11.358 1.00 0.00 O ATOM 0 H GLU A 38 -6.194 -8.801 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.172 -8.666 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.682 -8.588 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.612 -6.857 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.554 -7.386 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.078 -6.587 -10.173 1.00 0.00 H new ATOM 551 N GLN A 39 -4.683 -5.591 -6.988 1.00 0.00 N ATOM 552 CA GLN A 39 -4.048 -4.289 -6.816 1.00 0.00 C ATOM 553 C GLN A 39 -2.612 -4.444 -6.327 1.00 0.00 C ATOM 554 O GLN A 39 -1.663 -4.150 -7.055 1.00 0.00 O ATOM 555 CB GLN A 39 -4.847 -3.435 -5.830 1.00 0.00 C ATOM 556 CG GLN A 39 -6.069 -2.775 -6.447 1.00 0.00 C ATOM 557 CD GLN A 39 -6.808 -1.883 -5.468 1.00 0.00 C ATOM 558 OE1 GLN A 39 -7.504 -2.366 -4.575 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.659 -0.574 -5.632 1.00 0.00 N ATOM 0 H GLN A 39 -5.633 -5.650 -6.621 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.030 -3.790 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.165 -4.060 -4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.196 -2.663 -5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.761 -2.184 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.747 -3.546 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.072 -0.218 -6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.132 0.076 -5.004 1.00 0.00 H new ATOM 568 N ILE A 40 -2.460 -4.906 -5.091 1.00 0.00 N ATOM 569 CA ILE A 40 -1.140 -5.100 -4.505 1.00 0.00 C ATOM 570 C ILE A 40 -0.158 -5.650 -5.534 1.00 0.00 C ATOM 571 O ILE A 40 0.948 -5.131 -5.693 1.00 0.00 O ATOM 572 CB ILE A 40 -1.193 -6.057 -3.300 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.044 -5.455 -2.180 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.212 -6.359 -2.800 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.292 -6.406 -1.030 1.00 0.00 C ATOM 0 H ILE A 40 -3.235 -5.153 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.799 -4.122 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.653 -6.992 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.550 -4.560 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.002 -5.139 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.157 -7.037 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.790 -6.825 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.697 -5.432 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.902 -5.911 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.814 -7.290 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.339 -6.702 -0.591 1.00 0.00 H new ATOM 587 N LYS A 41 -0.569 -6.703 -6.232 1.00 0.00 N ATOM 588 CA LYS A 41 0.272 -7.323 -7.249 1.00 0.00 C ATOM 589 C LYS A 41 0.585 -6.339 -8.371 1.00 0.00 C ATOM 590 O LYS A 41 1.720 -5.884 -8.513 1.00 0.00 O ATOM 591 CB LYS A 41 -0.416 -8.564 -7.821 1.00 0.00 C ATOM 592 CG LYS A 41 -0.658 -9.655 -6.792 1.00 0.00 C ATOM 593 CD LYS A 41 -1.775 -10.590 -7.224 1.00 0.00 C ATOM 594 CE LYS A 41 -1.258 -11.692 -8.137 1.00 0.00 C ATOM 595 NZ LYS A 41 -2.330 -12.230 -9.019 1.00 0.00 N ATOM 0 H LYS A 41 -1.480 -7.145 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 41 1.210 -7.619 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.370 -8.271 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.194 -8.967 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.259 -10.226 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.911 -9.203 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.240 -11.034 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.548 -10.021 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.444 -11.304 -8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.845 -12.500 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.938 -12.978 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.095 -12.623 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.707 -11.465 -9.614 1.00 0.00 H new ATOM 609 N ARG A 42 -0.430 -6.012 -9.165 1.00 0.00 N ATOM 610 CA ARG A 42 -0.263 -5.081 -10.275 1.00 0.00 C ATOM 611 C ARG A 42 0.512 -3.843 -9.833 1.00 0.00 C ATOM 612 O ARG A 42 1.165 -3.185 -10.643 1.00 0.00 O ATOM 613 CB ARG A 42 -1.626 -4.671 -10.833 1.00 0.00 C ATOM 614 CG ARG A 42 -1.553 -4.033 -12.211 1.00 0.00 C ATOM 615 CD ARG A 42 -2.851 -3.325 -12.568 1.00 0.00 C ATOM 616 NE ARG A 42 -2.711 -2.493 -13.760 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.067 -1.332 -13.774 1.00 0.00 C ATOM 618 NH1 ARG A 42 -1.507 -0.867 -12.666 1.00 0.00 N ATOM 619 NH2 ARG A 42 -1.983 -0.632 -14.899 1.00 0.00 N ATOM 0 H ARG A 42 -1.376 -6.378 -9.060 1.00 0.00 H new ATOM 0 HA ARG A 42 0.305 -5.584 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.268 -5.550 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.096 -3.971 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.729 -3.320 -12.240 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.338 -4.799 -12.956 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.634 -4.065 -12.733 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.169 -2.706 -11.729 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.131 -2.822 -14.629 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.570 -1.401 -11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.013 0.025 -12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.413 -0.986 -15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.488 0.260 -14.909 1.00 0.00 H new ATOM 633 N ALA A 43 0.434 -3.531 -8.544 1.00 0.00 N ATOM 634 CA ALA A 43 1.128 -2.373 -7.994 1.00 0.00 C ATOM 635 C ALA A 43 2.627 -2.631 -7.888 1.00 0.00 C ATOM 636 O ALA A 43 3.438 -1.725 -8.075 1.00 0.00 O ATOM 637 CB ALA A 43 0.555 -2.011 -6.632 1.00 0.00 C ATOM 0 H ALA A 43 -0.103 -4.064 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 43 0.977 -1.534 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.083 -1.145 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.504 -1.775 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.675 -2.854 -5.951 1.00 0.00 H new ATOM 643 N ASN A 44 2.989 -3.874 -7.585 1.00 0.00 N ATOM 644 CA ASN A 44 4.391 -4.251 -7.452 1.00 0.00 C ATOM 645 C ASN A 44 4.745 -5.380 -8.416 1.00 0.00 C ATOM 646 O ASN A 44 5.721 -6.101 -8.212 1.00 0.00 O ATOM 647 CB ASN A 44 4.692 -4.681 -6.015 1.00 0.00 C ATOM 648 CG ASN A 44 4.107 -3.726 -4.992 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.091 -2.512 -5.197 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.623 -4.272 -3.882 1.00 0.00 N ATOM 0 H ASN A 44 2.330 -4.637 -7.427 1.00 0.00 H new ATOM 0 HA ASN A 44 4.999 -3.381 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.291 -5.680 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.771 -4.743 -5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.217 -3.680 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.657 -5.283 -3.754 1.00 0.00 H new ATOM 657 N ARG A 45 3.945 -5.525 -9.468 1.00 0.00 N ATOM 658 CA ARG A 45 4.172 -6.565 -10.463 1.00 0.00 C ATOM 659 C ARG A 45 4.767 -7.814 -9.818 1.00 0.00 C ATOM 660 O ARG A 45 5.747 -8.374 -10.312 1.00 0.00 O ATOM 661 CB ARG A 45 5.104 -6.053 -11.563 1.00 0.00 C ATOM 662 CG ARG A 45 4.582 -4.818 -12.278 1.00 0.00 C ATOM 663 CD ARG A 45 5.713 -4.012 -12.896 1.00 0.00 C ATOM 664 NE ARG A 45 5.273 -2.684 -13.316 1.00 0.00 N ATOM 665 CZ ARG A 45 4.911 -1.727 -12.469 1.00 0.00 C ATOM 666 NH1 ARG A 45 4.936 -1.950 -11.162 1.00 0.00 N ATOM 667 NH2 ARG A 45 4.522 -0.545 -12.929 1.00 0.00 N ATOM 0 H ARG A 45 3.134 -4.935 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 45 3.210 -6.828 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.077 -5.826 -11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.260 -6.847 -12.294 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.879 -5.117 -13.056 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.032 -4.194 -11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.524 -3.914 -12.175 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.114 -4.550 -13.755 1.00 0.00 H new ATOM 0 HE ARG A 45 5.242 -2.480 -14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.234 -2.858 -10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.658 -1.214 -10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.501 -0.371 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.244 0.189 -12.278 1.00 0.00 H new ATOM 681 N LEU A 46 4.169 -8.244 -8.713 1.00 0.00 N ATOM 682 CA LEU A 46 4.639 -9.427 -7.999 1.00 0.00 C ATOM 683 C LEU A 46 4.282 -10.700 -8.760 1.00 0.00 C ATOM 684 O LEU A 46 4.821 -11.772 -8.484 1.00 0.00 O ATOM 685 CB LEU A 46 4.036 -9.472 -6.595 1.00 0.00 C ATOM 686 CG LEU A 46 4.823 -8.748 -5.502 1.00 0.00 C ATOM 687 CD1 LEU A 46 4.005 -8.661 -4.223 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.147 -9.451 -5.243 1.00 0.00 C ATOM 0 H LEU A 46 3.358 -7.792 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 46 5.724 -9.366 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.035 -9.044 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.924 -10.516 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 46 5.033 -7.735 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.582 -8.143 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.083 -8.112 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.763 -9.666 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.693 -8.922 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.958 -10.476 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.739 -9.460 -6.158 1.00 0.00 H new ATOM 700 N TYR A 47 3.373 -10.574 -9.720 1.00 0.00 N ATOM 701 CA TYR A 47 2.943 -11.714 -10.521 1.00 0.00 C ATOM 702 C TYR A 47 4.142 -12.432 -11.132 1.00 0.00 C ATOM 703 O TYR A 47 4.761 -11.941 -12.077 1.00 0.00 O ATOM 704 CB TYR A 47 1.990 -11.257 -11.627 1.00 0.00 C ATOM 705 CG TYR A 47 2.616 -10.287 -12.603 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.586 -8.918 -12.366 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.235 -10.738 -13.762 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.156 -8.027 -13.256 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.808 -9.855 -14.656 1.00 0.00 C ATOM 710 CZ TYR A 47 3.766 -8.500 -14.398 1.00 0.00 C ATOM 711 OH TYR A 47 4.335 -7.617 -15.287 1.00 0.00 O ATOM 0 H TYR A 47 2.919 -9.693 -9.963 1.00 0.00 H new ATOM 0 HA TYR A 47 2.420 -12.410 -9.865 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.635 -12.131 -12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.117 -10.789 -11.172 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.110 -8.544 -11.472 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.269 -11.798 -13.968 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.124 -6.966 -13.058 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.286 -10.223 -15.552 1.00 0.00 H new ATOM 0 HH TYR A 47 4.723 -8.113 -16.038 1.00 0.00 H new ATOM 721 N THR A 48 4.466 -13.600 -10.586 1.00 0.00 N ATOM 722 CA THR A 48 5.590 -14.388 -11.076 1.00 0.00 C ATOM 723 C THR A 48 5.209 -15.856 -11.225 1.00 0.00 C ATOM 724 O THR A 48 4.237 -16.318 -10.631 1.00 0.00 O ATOM 725 CB THR A 48 6.805 -14.278 -10.135 1.00 0.00 C ATOM 726 OG1 THR A 48 6.432 -14.657 -8.806 1.00 0.00 O ATOM 727 CG2 THR A 48 7.356 -12.860 -10.127 1.00 0.00 C ATOM 0 H THR A 48 3.965 -14.021 -9.804 1.00 0.00 H new ATOM 0 HA THR A 48 5.857 -13.984 -12.052 1.00 0.00 H new ATOM 0 HB THR A 48 7.581 -14.951 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.283 -15.625 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.213 -12.806 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.667 -12.585 -11.135 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.584 -12.171 -9.785 1.00 0.00 H new ATOM 735 N ASN A 49 5.983 -16.585 -12.023 1.00 0.00 N ATOM 736 CA ASN A 49 5.726 -18.003 -12.250 1.00 0.00 C ATOM 737 C ASN A 49 5.544 -18.741 -10.928 1.00 0.00 C ATOM 738 O ASN A 49 4.688 -19.618 -10.808 1.00 0.00 O ATOM 739 CB ASN A 49 6.874 -18.630 -13.044 1.00 0.00 C ATOM 740 CG ASN A 49 7.099 -17.943 -14.377 1.00 0.00 C ATOM 741 OD1 ASN A 49 7.156 -16.716 -14.454 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.226 -18.734 -15.436 1.00 0.00 N ATOM 0 H ASN A 49 6.793 -16.218 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 49 4.804 -18.092 -12.825 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.789 -18.581 -12.454 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.661 -19.685 -13.214 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.378 -18.329 -16.360 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.172 -19.747 -15.326 1.00 0.00 H new ATOM 749 N ASP A 50 6.354 -18.381 -9.939 1.00 0.00 N ATOM 750 CA ASP A 50 6.281 -19.008 -8.624 1.00 0.00 C ATOM 751 C ASP A 50 5.592 -18.088 -7.621 1.00 0.00 C ATOM 752 O ASP A 50 5.564 -16.870 -7.798 1.00 0.00 O ATOM 753 CB ASP A 50 7.683 -19.365 -8.128 1.00 0.00 C ATOM 754 CG ASP A 50 8.166 -20.698 -8.665 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.503 -21.722 -8.396 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.205 -20.718 -9.356 1.00 0.00 O ATOM 0 H ASP A 50 7.069 -17.658 -10.022 1.00 0.00 H new ATOM 0 HA ASP A 50 5.693 -19.921 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.381 -18.582 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.683 -19.394 -7.038 1.00 0.00 H new ATOM 761 N SER A 51 5.036 -18.680 -6.569 1.00 0.00 N ATOM 762 CA SER A 51 4.342 -17.915 -5.539 1.00 0.00 C ATOM 763 C SER A 51 5.084 -16.616 -5.236 1.00 0.00 C ATOM 764 O SER A 51 6.268 -16.478 -5.543 1.00 0.00 O ATOM 765 CB SER A 51 4.203 -18.746 -4.263 1.00 0.00 C ATOM 766 OG SER A 51 3.578 -19.989 -4.530 1.00 0.00 O ATOM 0 H SER A 51 5.052 -19.687 -6.407 1.00 0.00 H new ATOM 0 HA SER A 51 3.348 -17.668 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.187 -18.917 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.620 -18.193 -3.527 1.00 0.00 H new ATOM 0 HG SER A 51 3.502 -20.502 -3.699 1.00 0.00 H new ATOM 772 N ILE A 52 4.377 -15.667 -4.631 1.00 0.00 N ATOM 773 CA ILE A 52 4.968 -14.380 -4.284 1.00 0.00 C ATOM 774 C ILE A 52 5.940 -14.517 -3.118 1.00 0.00 C ATOM 775 O ILE A 52 6.823 -13.680 -2.930 1.00 0.00 O ATOM 776 CB ILE A 52 3.887 -13.345 -3.918 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.958 -13.906 -2.840 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.094 -12.948 -5.154 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.240 -12.837 -2.045 1.00 0.00 C ATOM 0 H ILE A 52 3.395 -15.765 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 52 5.509 -14.034 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 52 4.376 -12.455 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.220 -14.555 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.539 -14.526 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.334 -12.216 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.766 -12.513 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.612 -13.830 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.599 -13.307 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.972 -12.202 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.631 -12.231 -2.716 1.00 0.00 H new ATOM 791 N PHE A 53 5.773 -15.580 -2.337 1.00 0.00 N ATOM 792 CA PHE A 53 6.637 -15.828 -1.189 1.00 0.00 C ATOM 793 C PHE A 53 8.107 -15.712 -1.579 1.00 0.00 C ATOM 794 O PHE A 53 8.977 -15.545 -0.723 1.00 0.00 O ATOM 795 CB PHE A 53 6.360 -17.216 -0.607 1.00 0.00 C ATOM 796 CG PHE A 53 5.067 -17.300 0.153 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.960 -16.764 1.426 1.00 0.00 C ATOM 798 CD2 PHE A 53 3.959 -17.916 -0.406 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.772 -16.840 2.128 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.768 -17.994 0.291 1.00 0.00 C ATOM 801 CZ PHE A 53 2.675 -17.456 1.560 1.00 0.00 C ATOM 0 H PHE A 53 5.047 -16.283 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 53 6.420 -15.074 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.344 -17.945 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.180 -17.494 0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.815 -16.281 1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.027 -18.340 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.702 -16.418 3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.911 -18.475 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.746 -17.517 2.107 1.00 0.00 H new ATOM 811 N LEU A 54 8.378 -15.803 -2.877 1.00 0.00 N ATOM 812 CA LEU A 54 9.743 -15.709 -3.382 1.00 0.00 C ATOM 813 C LEU A 54 10.461 -14.500 -2.790 1.00 0.00 C ATOM 814 O LEU A 54 11.685 -14.493 -2.659 1.00 0.00 O ATOM 815 CB LEU A 54 9.737 -15.616 -4.909 1.00 0.00 C ATOM 816 CG LEU A 54 9.166 -16.824 -5.652 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.702 -16.423 -7.044 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.199 -17.938 -5.733 1.00 0.00 C ATOM 0 H LEU A 54 7.670 -15.942 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 54 10.279 -16.609 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.165 -14.734 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.761 -15.457 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 54 8.305 -17.195 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.299 -17.295 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.929 -15.659 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.546 -16.027 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.775 -18.790 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.080 -17.579 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.483 -18.244 -4.726 1.00 0.00 H new ATOM 830 N LYS A 55 9.690 -13.477 -2.433 1.00 0.00 N ATOM 831 CA LYS A 55 10.250 -12.263 -1.852 1.00 0.00 C ATOM 832 C LYS A 55 10.305 -12.364 -0.331 1.00 0.00 C ATOM 833 O LYS A 55 9.803 -13.322 0.257 1.00 0.00 O ATOM 834 CB LYS A 55 9.420 -11.046 -2.264 1.00 0.00 C ATOM 835 CG LYS A 55 9.285 -10.881 -3.768 1.00 0.00 C ATOM 836 CD LYS A 55 10.588 -10.415 -4.396 1.00 0.00 C ATOM 837 CE LYS A 55 10.761 -8.909 -4.266 1.00 0.00 C ATOM 838 NZ LYS A 55 12.170 -8.490 -4.506 1.00 0.00 N ATOM 0 H LYS A 55 8.675 -13.465 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 55 11.266 -12.145 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.426 -11.130 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.877 -10.148 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.984 -11.829 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.496 -10.161 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.426 -10.921 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.606 -10.695 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.106 -8.405 -4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.453 -8.593 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.247 -7.457 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.792 -8.951 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.456 -8.769 -5.466 1.00 0.00 H new ATOM 852 N LYS A 56 10.917 -11.368 0.301 1.00 0.00 N ATOM 853 CA LYS A 56 11.035 -11.341 1.755 1.00 0.00 C ATOM 854 C LYS A 56 10.019 -10.382 2.366 1.00 0.00 C ATOM 855 O LYS A 56 9.257 -10.754 3.259 1.00 0.00 O ATOM 856 CB LYS A 56 12.451 -10.930 2.164 1.00 0.00 C ATOM 857 CG LYS A 56 12.833 -11.377 3.564 1.00 0.00 C ATOM 858 CD LYS A 56 14.304 -11.123 3.849 1.00 0.00 C ATOM 859 CE LYS A 56 15.167 -12.299 3.418 1.00 0.00 C ATOM 860 NZ LYS A 56 16.565 -12.173 3.915 1.00 0.00 N ATOM 0 H LYS A 56 11.339 -10.568 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 56 10.832 -12.344 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.162 -11.348 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.538 -9.845 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.223 -10.847 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.617 -12.439 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.627 -10.223 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.443 -10.940 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.731 -13.226 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.173 -12.365 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.121 -12.994 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.990 -11.302 3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.562 -12.135 4.954 1.00 0.00 H new ATOM 874 N THR A 57 10.012 -9.145 1.879 1.00 0.00 N ATOM 875 CA THR A 57 9.089 -8.133 2.377 1.00 0.00 C ATOM 876 C THR A 57 8.328 -7.472 1.233 1.00 0.00 C ATOM 877 O THR A 57 8.895 -7.195 0.175 1.00 0.00 O ATOM 878 CB THR A 57 9.828 -7.047 3.182 1.00 0.00 C ATOM 879 OG1 THR A 57 11.036 -7.583 3.733 1.00 0.00 O ATOM 880 CG2 THR A 57 8.949 -6.511 4.301 1.00 0.00 C ATOM 0 H THR A 57 10.635 -8.820 1.140 1.00 0.00 H new ATOM 0 HA THR A 57 8.383 -8.644 3.032 1.00 0.00 H new ATOM 0 HB THR A 57 10.070 -6.226 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.501 -6.886 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.492 -5.746 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.043 -6.078 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.681 -7.325 4.974 1.00 0.00 H new ATOM 888 N LEU A 58 7.042 -7.220 1.452 1.00 0.00 N ATOM 889 CA LEU A 58 6.203 -6.590 0.439 1.00 0.00 C ATOM 890 C LEU A 58 5.657 -5.256 0.937 1.00 0.00 C ATOM 891 O LEU A 58 5.813 -4.908 2.107 1.00 0.00 O ATOM 892 CB LEU A 58 5.047 -7.517 0.058 1.00 0.00 C ATOM 893 CG LEU A 58 5.429 -8.794 -0.691 1.00 0.00 C ATOM 894 CD1 LEU A 58 4.184 -9.527 -1.165 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.339 -8.470 -1.867 1.00 0.00 C ATOM 0 H LEU A 58 6.558 -7.442 2.322 1.00 0.00 H new ATOM 0 HA LEU A 58 6.817 -6.404 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.518 -7.798 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.345 -6.955 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 58 5.971 -9.446 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.475 -10.433 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.568 -9.792 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.614 -8.882 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.601 -9.390 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.822 -7.799 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.247 -7.988 -1.503 1.00 0.00 H new ATOM 907 N TYR A 59 5.016 -4.514 0.041 1.00 0.00 N ATOM 908 CA TYR A 59 4.447 -3.217 0.389 1.00 0.00 C ATOM 909 C TYR A 59 2.947 -3.189 0.114 1.00 0.00 C ATOM 910 O TYR A 59 2.462 -3.843 -0.810 1.00 0.00 O ATOM 911 CB TYR A 59 5.143 -2.104 -0.397 1.00 0.00 C ATOM 912 CG TYR A 59 6.566 -2.435 -0.785 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.415 -3.086 0.100 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.061 -2.097 -2.039 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.716 -3.390 -0.250 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.360 -2.398 -2.399 1.00 0.00 C ATOM 917 CZ TYR A 59 9.184 -3.044 -1.501 1.00 0.00 C ATOM 918 OH TYR A 59 10.479 -3.346 -1.854 1.00 0.00 O ATOM 0 H TYR A 59 4.877 -4.788 -0.932 1.00 0.00 H new ATOM 0 HA TYR A 59 4.605 -3.053 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.569 -1.894 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.141 -1.193 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.052 -3.360 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.419 -1.590 -2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.363 -3.896 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.728 -2.129 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 59 10.650 -3.036 -2.768 1.00 0.00 H new ATOM 928 N ILE A 60 2.218 -2.426 0.922 1.00 0.00 N ATOM 929 CA ILE A 60 0.774 -2.310 0.765 1.00 0.00 C ATOM 930 C ILE A 60 0.386 -0.928 0.252 1.00 0.00 C ATOM 931 O ILE A 60 0.746 0.099 0.828 1.00 0.00 O ATOM 932 CB ILE A 60 0.040 -2.578 2.092 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.402 -3.964 2.630 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.464 -2.454 1.901 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.139 -5.081 1.645 1.00 0.00 C ATOM 0 H ILE A 60 2.604 -1.879 1.692 1.00 0.00 H new ATOM 0 HA ILE A 60 0.475 -3.063 0.036 1.00 0.00 H new ATOM 0 HB ILE A 60 0.356 -1.832 2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.457 -3.974 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.167 -4.152 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.968 -2.646 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.706 -1.448 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.798 -3.179 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.419 -6.035 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.920 -5.097 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.729 -4.917 0.743 1.00 0.00 H new ATOM 947 N PRO A 61 -0.369 -0.898 -0.856 1.00 0.00 N ATOM 948 CA PRO A 61 -0.825 0.352 -1.471 1.00 0.00 C ATOM 949 C PRO A 61 -1.871 1.067 -0.622 1.00 0.00 C ATOM 950 O PRO A 61 -2.937 0.518 -0.341 1.00 0.00 O ATOM 951 CB PRO A 61 -1.436 -0.106 -2.797 1.00 0.00 C ATOM 952 CG PRO A 61 -1.844 -1.519 -2.558 1.00 0.00 C ATOM 953 CD PRO A 61 -0.836 -2.084 -1.595 1.00 0.00 C ATOM 0 HA PRO A 61 -0.012 1.069 -1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.291 0.512 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.715 -0.034 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.851 -1.570 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.854 -2.085 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.285 -2.821 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.018 -2.581 -2.116 1.00 0.00 H new ATOM 961 N ILE A 62 -1.559 2.293 -0.216 1.00 0.00 N ATOM 962 CA ILE A 62 -2.473 3.083 0.600 1.00 0.00 C ATOM 963 C ILE A 62 -3.333 3.998 -0.267 1.00 0.00 C ATOM 964 O ILE A 62 -2.816 4.829 -1.015 1.00 0.00 O ATOM 965 CB ILE A 62 -1.713 3.938 1.631 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.680 3.084 2.370 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.685 4.573 2.613 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.322 3.897 3.159 1.00 0.00 C ATOM 0 H ILE A 62 -0.680 2.761 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.114 2.377 1.128 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.188 4.735 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.199 2.405 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.146 2.467 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.132 5.174 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.385 5.209 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.235 3.792 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.023 3.227 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.867 4.557 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.201 4.494 3.906 1.00 0.00 H new ATOM 980 N LEU A 63 -4.647 3.841 -0.160 1.00 0.00 N ATOM 981 CA LEU A 63 -5.581 4.654 -0.932 1.00 0.00 C ATOM 982 C LEU A 63 -6.209 5.737 -0.061 1.00 0.00 C ATOM 983 O LEU A 63 -7.084 5.459 0.760 1.00 0.00 O ATOM 984 CB LEU A 63 -6.674 3.773 -1.539 1.00 0.00 C ATOM 985 CG LEU A 63 -6.263 2.926 -2.744 1.00 0.00 C ATOM 986 CD1 LEU A 63 -6.125 3.795 -3.984 1.00 0.00 C ATOM 987 CD2 LEU A 63 -4.962 2.189 -2.459 1.00 0.00 C ATOM 0 H LEU A 63 -5.091 3.158 0.454 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.025 5.137 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.048 3.106 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.505 4.413 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.043 2.187 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.832 3.176 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.079 4.276 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.365 4.557 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.685 1.591 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.173 2.911 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.095 1.536 -1.597 1.00 0.00 H new ATOM 999 N THR A 64 -5.758 6.974 -0.247 1.00 0.00 N ATOM 1000 CA THR A 64 -6.276 8.099 0.521 1.00 0.00 C ATOM 1001 C THR A 64 -6.896 9.149 -0.394 1.00 0.00 C ATOM 1002 O THR A 64 -6.556 9.236 -1.573 1.00 0.00 O ATOM 1003 CB THR A 64 -5.171 8.759 1.366 1.00 0.00 C ATOM 1004 OG1 THR A 64 -5.722 9.826 2.147 1.00 0.00 O ATOM 1005 CG2 THR A 64 -4.058 9.296 0.478 1.00 0.00 C ATOM 0 H THR A 64 -5.035 7.222 -0.923 1.00 0.00 H new ATOM 0 HA THR A 64 -7.043 7.702 1.186 1.00 0.00 H new ATOM 0 HB THR A 64 -4.752 8.003 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.013 10.239 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.289 9.758 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.621 8.477 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.466 10.039 -0.208 1.00 0.00 H new ATOM 1013 N GLU A 65 -7.806 9.946 0.158 1.00 0.00 N ATOM 1014 CA GLU A 65 -8.473 10.991 -0.610 1.00 0.00 C ATOM 1015 C GLU A 65 -7.736 12.320 -0.475 1.00 0.00 C ATOM 1016 O GLU A 65 -6.993 12.552 0.479 1.00 0.00 O ATOM 1017 CB GLU A 65 -9.923 11.149 -0.147 1.00 0.00 C ATOM 1018 CG GLU A 65 -10.895 10.228 -0.864 1.00 0.00 C ATOM 1019 CD GLU A 65 -10.808 8.794 -0.377 1.00 0.00 C ATOM 1020 OE1 GLU A 65 -9.894 8.070 -0.826 1.00 0.00 O ATOM 1021 OE2 GLU A 65 -11.652 8.396 0.452 1.00 0.00 O ATOM 0 H GLU A 65 -8.098 9.888 1.134 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.465 10.696 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.976 10.956 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.234 12.182 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.911 10.595 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.694 10.257 -1.935 1.00 0.00 H new ATOM 1028 N PRO A 66 -7.945 13.214 -1.452 1.00 0.00 N ATOM 1029 CA PRO A 66 -7.310 14.535 -1.465 1.00 0.00 C ATOM 1030 C PRO A 66 -7.856 15.452 -0.376 1.00 0.00 C ATOM 1031 O PRO A 66 -7.319 16.533 -0.134 1.00 0.00 O ATOM 1032 CB PRO A 66 -7.661 15.084 -2.851 1.00 0.00 C ATOM 1033 CG PRO A 66 -8.914 14.374 -3.233 1.00 0.00 C ATOM 1034 CD PRO A 66 -8.818 13.005 -2.619 1.00 0.00 C ATOM 0 HA PRO A 66 -6.239 14.473 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.810 16.163 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.862 14.891 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.791 14.906 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.011 14.310 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.797 12.627 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.392 12.282 -3.315 1.00 0.00 H new ATOM 1042 N ARG A 67 -8.927 15.013 0.279 1.00 0.00 N ATOM 1043 CA ARG A 67 -9.546 15.795 1.342 1.00 0.00 C ATOM 1044 C ARG A 67 -9.033 15.354 2.710 1.00 0.00 C ATOM 1045 O ARG A 67 -9.462 14.332 3.245 1.00 0.00 O ATOM 1046 CB ARG A 67 -11.068 15.655 1.287 1.00 0.00 C ATOM 1047 CG ARG A 67 -11.810 16.836 1.890 1.00 0.00 C ATOM 1048 CD ARG A 67 -11.684 18.077 1.020 1.00 0.00 C ATOM 1049 NE ARG A 67 -12.415 17.942 -0.237 1.00 0.00 N ATOM 1050 CZ ARG A 67 -11.887 17.430 -1.343 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -10.630 17.008 -1.347 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -12.616 17.339 -2.448 1.00 0.00 N ATOM 0 H ARG A 67 -9.383 14.120 0.092 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.279 16.841 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.376 15.535 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.360 14.746 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.863 16.582 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.415 17.046 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.060 18.942 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.632 18.266 0.809 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.384 18.258 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.066 17.076 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.227 16.615 -2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.583 17.663 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.209 16.946 -3.297 1.00 0.00 H new ATOM 1066 N ASP A 68 -8.113 16.132 3.269 1.00 0.00 N ATOM 1067 CA ASP A 68 -7.542 15.823 4.575 1.00 0.00 C ATOM 1068 C ASP A 68 -7.517 17.061 5.465 1.00 0.00 C ATOM 1069 O ASP A 68 -7.496 18.191 4.974 1.00 0.00 O ATOM 1070 CB ASP A 68 -6.126 15.265 4.417 1.00 0.00 C ATOM 1071 CG ASP A 68 -5.661 14.509 5.647 1.00 0.00 C ATOM 1072 OD1 ASP A 68 -6.512 13.892 6.321 1.00 0.00 O ATOM 1073 OD2 ASP A 68 -4.446 14.534 5.933 1.00 0.00 O ATOM 0 H ASP A 68 -7.747 16.981 2.839 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.171 15.070 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.094 14.602 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.436 16.084 4.215 1.00 0.00 H new ATOM 1078 N LEU A 69 -7.521 16.843 6.775 1.00 0.00 N ATOM 1079 CA LEU A 69 -7.500 17.941 7.735 1.00 0.00 C ATOM 1080 C LEU A 69 -6.227 18.768 7.588 1.00 0.00 C ATOM 1081 O LEU A 69 -5.280 18.356 6.917 1.00 0.00 O ATOM 1082 CB LEU A 69 -7.609 17.401 9.161 1.00 0.00 C ATOM 1083 CG LEU A 69 -6.341 16.771 9.739 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -6.488 16.553 11.237 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -6.029 15.458 9.035 1.00 0.00 C ATOM 0 H LEU A 69 -7.539 15.915 7.197 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.356 18.585 7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.916 18.217 9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.405 16.656 9.186 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.510 17.456 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.576 16.104 11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.663 17.510 11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.331 15.888 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.124 15.024 9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.861 14.766 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.879 15.642 7.971 1.00 0.00 H new ATOM 1097 N PHE A 70 -6.210 19.936 8.222 1.00 0.00 N ATOM 1098 CA PHE A 70 -5.052 20.821 8.163 1.00 0.00 C ATOM 1099 C PHE A 70 -4.391 20.943 9.532 1.00 0.00 C ATOM 1100 O PHE A 70 -3.184 20.749 9.670 1.00 0.00 O ATOM 1101 CB PHE A 70 -5.467 22.205 7.659 1.00 0.00 C ATOM 1102 CG PHE A 70 -6.535 22.852 8.494 1.00 0.00 C ATOM 1103 CD1 PHE A 70 -7.864 22.494 8.341 1.00 0.00 C ATOM 1104 CD2 PHE A 70 -6.209 23.818 9.432 1.00 0.00 C ATOM 1105 CE1 PHE A 70 -8.849 23.088 9.107 1.00 0.00 C ATOM 1106 CE2 PHE A 70 -7.189 24.416 10.202 1.00 0.00 C ATOM 1107 CZ PHE A 70 -8.511 24.049 10.040 1.00 0.00 C ATOM 0 H PHE A 70 -6.985 20.292 8.782 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.331 20.390 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.591 22.853 7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.823 22.117 6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.134 21.742 7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.177 24.107 9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.882 22.801 8.976 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.922 25.169 10.929 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.279 24.513 10.642 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.191 21.267 10.543 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.684 21.417 11.902 1.00 0.00 C ATOM 1119 C ASN A 71 -3.934 20.164 12.344 1.00 0.00 C ATOM 1120 O ASN A 71 -4.533 19.216 12.852 1.00 0.00 O ATOM 1121 CB ASN A 71 -5.835 21.704 12.869 1.00 0.00 C ATOM 1122 CG ASN A 71 -6.109 23.188 13.017 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.340 24.023 12.540 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -7.208 23.523 13.682 1.00 0.00 N ATOM 0 H ASN A 71 -6.193 21.431 10.447 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.990 22.257 11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.737 21.204 12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.599 21.282 13.846 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.444 24.506 13.815 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.817 22.797 14.060 1.00 0.00 H new ATOM 1131 N SER A 72 -2.620 20.167 12.147 1.00 0.00 N ATOM 1132 CA SER A 72 -1.788 19.030 12.522 1.00 0.00 C ATOM 1133 C SER A 72 -0.450 19.498 13.085 1.00 0.00 C ATOM 1134 O SER A 72 0.221 20.347 12.500 1.00 0.00 O ATOM 1135 CB SER A 72 -1.555 18.121 11.313 1.00 0.00 C ATOM 1136 OG SER A 72 -0.625 17.096 11.618 1.00 0.00 O ATOM 0 H SER A 72 -2.108 20.944 11.730 1.00 0.00 H new ATOM 0 HA SER A 72 -2.311 18.468 13.295 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.500 17.678 11.000 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.187 18.713 10.475 1.00 0.00 H new ATOM 0 HG SER A 72 -0.494 16.528 10.830 1.00 0.00 H new ATOM 1142 N GLY A 73 -0.067 18.937 14.228 1.00 0.00 N ATOM 1143 CA GLY A 73 1.189 19.309 14.854 1.00 0.00 C ATOM 1144 C GLY A 73 1.059 20.540 15.728 1.00 0.00 C ATOM 1145 O GLY A 73 1.332 21.662 15.301 1.00 0.00 O ATOM 0 H GLY A 73 -0.604 18.231 14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.552 18.476 15.456 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.936 19.493 14.082 1.00 0.00 H new ATOM 1149 N PRO A 74 0.631 20.337 16.983 1.00 0.00 N ATOM 1150 CA PRO A 74 0.455 21.429 17.945 1.00 0.00 C ATOM 1151 C PRO A 74 1.783 22.029 18.391 1.00 0.00 C ATOM 1152 O PRO A 74 2.850 21.505 18.072 1.00 0.00 O ATOM 1153 CB PRO A 74 -0.249 20.752 19.124 1.00 0.00 C ATOM 1154 CG PRO A 74 0.144 19.318 19.027 1.00 0.00 C ATOM 1155 CD PRO A 74 0.287 19.026 17.559 1.00 0.00 C ATOM 0 HA PRO A 74 -0.103 22.262 17.518 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.064 21.185 20.074 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.331 20.871 19.061 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.080 19.133 19.555 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.610 18.675 19.481 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.066 18.287 17.370 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.637 18.631 17.136 1.00 0.00 H new ATOM 1163 N SER A 75 1.711 23.130 19.132 1.00 0.00 N ATOM 1164 CA SER A 75 2.910 23.804 19.619 1.00 0.00 C ATOM 1165 C SER A 75 2.921 23.857 21.143 1.00 0.00 C ATOM 1166 O SER A 75 2.022 23.332 21.801 1.00 0.00 O ATOM 1167 CB SER A 75 2.992 25.220 19.047 1.00 0.00 C ATOM 1168 OG SER A 75 4.286 25.769 19.229 1.00 0.00 O ATOM 0 H SER A 75 0.836 23.575 19.408 1.00 0.00 H new ATOM 0 HA SER A 75 3.778 23.235 19.286 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.747 25.201 17.985 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.252 25.856 19.533 1.00 0.00 H new ATOM 0 HG SER A 75 4.313 26.674 18.853 1.00 0.00 H new ATOM 1174 N SER A 76 3.945 24.496 21.699 1.00 0.00 N ATOM 1175 CA SER A 76 4.077 24.615 23.147 1.00 0.00 C ATOM 1176 C SER A 76 4.147 26.080 23.567 1.00 0.00 C ATOM 1177 O SER A 76 3.564 26.477 24.575 1.00 0.00 O ATOM 1178 CB SER A 76 5.326 23.875 23.629 1.00 0.00 C ATOM 1179 OG SER A 76 6.506 24.509 23.167 1.00 0.00 O ATOM 0 H SER A 76 4.695 24.939 21.169 1.00 0.00 H new ATOM 0 HA SER A 76 3.197 24.165 23.606 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.332 23.838 24.718 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.301 22.844 23.275 1.00 0.00 H new ATOM 0 HG SER A 76 7.290 24.017 23.490 1.00 0.00 H new ATOM 1185 N GLY A 77 4.864 26.880 22.784 1.00 0.00 N ATOM 1186 CA GLY A 77 4.998 28.293 23.090 1.00 0.00 C ATOM 1187 C GLY A 77 6.433 28.772 23.002 1.00 0.00 C ATOM 1188 O GLY A 77 7.265 28.143 22.347 1.00 0.00 O ATOM 0 H GLY A 77 5.355 26.575 21.943 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.383 28.871 22.400 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.616 28.482 24.093 1.00 0.00 H new TER 1192 GLY A 77