USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 502 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 34 SER OG : rot 95:sc= 1.07 USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= 0.493 F(o=-0.93!,f=1.6) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.662 K(o=2,f=-8.2!) USER MOD Set 2.2: A 62 TYR OH : rot 168:sc= 1.35 USER MOD Set 3.1: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0.133 USER MOD Set 4.1: A 7 THR OG1 : rot 46:sc= 0.655 USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 1.41 (180deg=0.365) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 3 HIS : no HE2:sc= 0.249 K(o=0.25,f=-4.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 143:sc= -3.23! (180deg=-4.54!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -125:sc= 0.46! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 30 SER OG : rot 180:sc= -0.253 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 48 THR OG1 : rot 140:sc= -0.0263 USER MOD Single : A 49 SER OG : rot 180:sc= 0.057 USER MOD Single : A 54 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.643 -3.273 0.139 1.00 0.00 N ATOM 2 CA MET A 1 0.033 -1.956 0.078 1.00 0.00 C ATOM 3 C MET A 1 -0.597 -1.074 -0.991 1.00 0.00 C ATOM 4 O MET A 1 -0.803 0.120 -0.780 1.00 0.00 O ATOM 5 CB MET A 1 1.542 -2.129 -0.166 1.00 0.00 C ATOM 6 CG MET A 1 1.918 -2.561 -1.578 1.00 0.00 C ATOM 7 SD MET A 1 1.434 -4.262 -1.942 1.00 0.00 S ATOM 8 CE MET A 1 2.920 -4.868 -2.739 1.00 0.00 C ATOM 0 H1 MET A 1 -0.728 -3.574 1.131 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.591 -3.197 -0.282 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.085 -3.974 -0.389 1.00 0.00 H new ATOM 0 HA MET A 1 -0.097 -1.461 1.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.041 -1.186 0.055 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.927 -2.866 0.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.444 -1.892 -2.296 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.995 -2.459 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.780 -5.910 -3.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.125 -4.272 -3.628 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.760 -4.791 -2.049 1.00 0.00 H new ATOM 20 N THR A 2 -0.922 -1.667 -2.132 1.00 0.00 N ATOM 21 CA THR A 2 -1.570 -0.946 -3.207 1.00 0.00 C ATOM 22 C THR A 2 -3.004 -0.598 -2.830 1.00 0.00 C ATOM 23 O THR A 2 -3.832 -1.483 -2.598 1.00 0.00 O ATOM 24 CB THR A 2 -1.566 -1.787 -4.495 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.435 -2.674 -4.487 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.520 -0.900 -5.732 1.00 0.00 C ATOM 0 H THR A 2 -0.744 -2.651 -2.333 1.00 0.00 H new ATOM 0 HA THR A 2 -1.015 -0.024 -3.380 1.00 0.00 H new ATOM 0 HB THR A 2 -2.488 -2.367 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.434 -3.211 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.518 -1.523 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.394 -0.249 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.615 -0.293 -5.711 1.00 0.00 H new ATOM 34 N HIS A 3 -3.291 0.691 -2.739 1.00 0.00 N ATOM 35 CA HIS A 3 -4.630 1.138 -2.409 1.00 0.00 C ATOM 36 C HIS A 3 -5.356 1.601 -3.659 1.00 0.00 C ATOM 37 O HIS A 3 -4.795 2.289 -4.511 1.00 0.00 O ATOM 38 CB HIS A 3 -4.609 2.279 -1.396 1.00 0.00 C ATOM 39 CG HIS A 3 -4.310 1.863 0.010 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.034 1.798 0.529 1.00 0.00 N ATOM 41 CD2 HIS A 3 -5.140 1.500 1.014 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.094 1.411 1.789 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.360 1.224 2.110 1.00 0.00 N ATOM 0 H HIS A 3 -2.616 1.441 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.153 0.290 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.865 3.011 -1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.577 2.780 -1.414 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.178 2.015 0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.217 1.439 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.249 1.271 2.447 1.00 0.00 H new ATOM 52 N LEU A 4 -6.605 1.219 -3.743 1.00 0.00 N ATOM 53 CA LEU A 4 -7.484 1.635 -4.823 1.00 0.00 C ATOM 54 C LEU A 4 -8.742 2.231 -4.219 1.00 0.00 C ATOM 55 O LEU A 4 -9.315 1.661 -3.291 1.00 0.00 O ATOM 56 CB LEU A 4 -7.856 0.447 -5.716 1.00 0.00 C ATOM 57 CG LEU A 4 -6.705 -0.178 -6.508 1.00 0.00 C ATOM 58 CD1 LEU A 4 -7.224 -1.287 -7.407 1.00 0.00 C ATOM 59 CD2 LEU A 4 -5.985 0.871 -7.335 1.00 0.00 C ATOM 0 H LEU A 4 -7.051 0.605 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.969 2.373 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.304 -0.326 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.622 0.772 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.995 -0.602 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.394 -1.722 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.696 -2.058 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.954 -0.878 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.171 0.402 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.685 1.326 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.580 1.639 -6.676 1.00 0.00 H new ATOM 71 N LYS A 5 -9.172 3.371 -4.728 1.00 0.00 N ATOM 72 CA LYS A 5 -10.342 4.043 -4.180 1.00 0.00 C ATOM 73 C LYS A 5 -11.584 3.719 -4.990 1.00 0.00 C ATOM 74 O LYS A 5 -11.564 3.744 -6.221 1.00 0.00 O ATOM 75 CB LYS A 5 -10.129 5.553 -4.133 1.00 0.00 C ATOM 76 CG LYS A 5 -9.977 6.100 -2.721 1.00 0.00 C ATOM 77 CD LYS A 5 -11.283 6.685 -2.203 1.00 0.00 C ATOM 78 CE LYS A 5 -12.003 5.718 -1.273 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.039 6.397 -0.453 1.00 0.00 N ATOM 0 H LYS A 5 -8.734 3.850 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.486 3.679 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.239 5.805 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.972 6.046 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.645 5.303 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.204 6.868 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.080 7.616 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.931 6.931 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.468 4.928 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.277 5.240 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.504 5.701 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.593 7.134 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.747 6.832 -1.079 1.00 0.00 H new ATOM 93 N ILE A 6 -12.661 3.414 -4.291 1.00 0.00 N ATOM 94 CA ILE A 6 -13.922 3.090 -4.933 1.00 0.00 C ATOM 95 C ILE A 6 -14.791 4.342 -5.028 1.00 0.00 C ATOM 96 O ILE A 6 -14.958 5.067 -4.044 1.00 0.00 O ATOM 97 CB ILE A 6 -14.659 1.959 -4.162 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.318 0.595 -4.767 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.171 2.167 -4.152 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.926 0.107 -4.433 1.00 0.00 C ATOM 0 H ILE A 6 -12.688 3.384 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.721 2.727 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.316 1.991 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.044 -0.139 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.422 0.653 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.646 1.354 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.405 3.116 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.543 2.179 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.760 -0.865 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.191 0.819 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.822 0.015 -3.352 1.00 0.00 H new ATOM 112 N THR A 7 -15.317 4.606 -6.217 1.00 0.00 N ATOM 113 CA THR A 7 -16.146 5.777 -6.437 1.00 0.00 C ATOM 114 C THR A 7 -17.475 5.394 -7.083 1.00 0.00 C ATOM 115 O THR A 7 -17.515 4.623 -8.053 1.00 0.00 O ATOM 116 CB THR A 7 -15.434 6.813 -7.323 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.232 6.250 -7.875 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.093 8.062 -6.525 1.00 0.00 C ATOM 0 H THR A 7 -15.182 4.023 -7.043 1.00 0.00 H new ATOM 0 HA THR A 7 -16.335 6.220 -5.459 1.00 0.00 H new ATOM 0 HB THR A 7 -16.109 7.089 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.419 5.351 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.590 8.781 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.009 8.505 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.435 7.797 -5.697 1.00 0.00 H new ATOM 126 N GLY A 8 -18.555 5.921 -6.525 1.00 0.00 N ATOM 127 CA GLY A 8 -19.880 5.693 -7.069 1.00 0.00 C ATOM 128 C GLY A 8 -20.643 4.607 -6.332 1.00 0.00 C ATOM 129 O GLY A 8 -21.870 4.657 -6.238 1.00 0.00 O ATOM 0 H GLY A 8 -18.536 6.511 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.449 6.622 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.793 5.419 -8.120 1.00 0.00 H new ATOM 133 N MET A 9 -19.919 3.630 -5.804 1.00 0.00 N ATOM 134 CA MET A 9 -20.544 2.501 -5.125 1.00 0.00 C ATOM 135 C MET A 9 -20.809 2.822 -3.656 1.00 0.00 C ATOM 136 O MET A 9 -20.526 3.928 -3.191 1.00 0.00 O ATOM 137 CB MET A 9 -19.685 1.244 -5.256 1.00 0.00 C ATOM 138 CG MET A 9 -19.129 1.037 -6.652 1.00 0.00 C ATOM 139 SD MET A 9 -18.026 -0.383 -6.750 1.00 0.00 S ATOM 140 CE MET A 9 -16.553 0.391 -7.410 1.00 0.00 C ATOM 0 H MET A 9 -18.900 3.595 -5.832 1.00 0.00 H new ATOM 0 HA MET A 9 -21.503 2.311 -5.607 1.00 0.00 H new ATOM 0 HB2 MET A 9 -18.858 1.303 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.281 0.375 -4.978 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.954 0.902 -7.352 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.591 1.933 -6.962 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.670 -0.062 -6.958 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.521 0.250 -8.490 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.570 1.457 -7.184 1.00 0.00 H new ATOM 150 N THR A 10 -21.346 1.854 -2.926 1.00 0.00 N ATOM 151 CA THR A 10 -21.749 2.085 -1.549 1.00 0.00 C ATOM 152 C THR A 10 -20.943 1.258 -0.542 1.00 0.00 C ATOM 153 O THR A 10 -20.267 1.819 0.323 1.00 0.00 O ATOM 154 CB THR A 10 -23.249 1.789 -1.364 1.00 0.00 C ATOM 155 OG1 THR A 10 -23.981 2.231 -2.517 1.00 0.00 O ATOM 156 CG2 THR A 10 -23.784 2.477 -0.118 1.00 0.00 C ATOM 0 H THR A 10 -21.511 0.906 -3.264 1.00 0.00 H new ATOM 0 HA THR A 10 -21.547 3.137 -1.348 1.00 0.00 H new ATOM 0 HB THR A 10 -23.376 0.713 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.934 2.038 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.845 2.254 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.244 2.116 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.647 3.554 -0.210 1.00 0.00 H new ATOM 164 N CYS A 11 -20.989 -0.069 -0.655 1.00 0.00 N ATOM 165 CA CYS A 11 -20.468 -0.919 0.414 1.00 0.00 C ATOM 166 C CYS A 11 -20.026 -2.300 -0.084 1.00 0.00 C ATOM 167 O CYS A 11 -19.666 -2.462 -1.247 1.00 0.00 O ATOM 168 CB CYS A 11 -21.542 -1.077 1.479 1.00 0.00 C ATOM 169 SG CYS A 11 -23.173 -1.491 0.809 1.00 0.00 S ATOM 0 H CYS A 11 -21.372 -0.570 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.581 -0.434 0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.237 -1.856 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -21.617 -0.150 2.048 1.00 0.00 H new ATOM 0 HG CYS A 11 -24.025 -1.609 1.784 1.00 0.00 H new ATOM 175 N ASP A 12 -20.040 -3.276 0.832 1.00 0.00 N ATOM 176 CA ASP A 12 -19.641 -4.668 0.555 1.00 0.00 C ATOM 177 C ASP A 12 -20.244 -5.223 -0.732 1.00 0.00 C ATOM 178 O ASP A 12 -19.539 -5.827 -1.533 1.00 0.00 O ATOM 179 CB ASP A 12 -20.039 -5.570 1.726 1.00 0.00 C ATOM 180 CG ASP A 12 -19.647 -7.018 1.505 1.00 0.00 C ATOM 181 OD1 ASP A 12 -18.432 -7.315 1.476 1.00 0.00 O ATOM 182 OD2 ASP A 12 -20.550 -7.866 1.357 1.00 0.00 O ATOM 0 H ASP A 12 -20.331 -3.123 1.798 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.559 -4.658 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.567 -5.205 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.117 -5.508 1.878 1.00 0.00 H new ATOM 187 N SER A 13 -21.542 -5.022 -0.931 1.00 0.00 N ATOM 188 CA SER A 13 -22.225 -5.523 -2.123 1.00 0.00 C ATOM 189 C SER A 13 -21.572 -4.988 -3.398 1.00 0.00 C ATOM 190 O SER A 13 -21.608 -5.627 -4.448 1.00 0.00 O ATOM 191 CB SER A 13 -23.695 -5.122 -2.067 1.00 0.00 C ATOM 192 OG SER A 13 -24.065 -4.785 -0.739 1.00 0.00 O ATOM 0 H SER A 13 -22.145 -4.515 -0.283 1.00 0.00 H new ATOM 0 HA SER A 13 -22.145 -6.610 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.872 -4.273 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.316 -5.942 -2.428 1.00 0.00 H new ATOM 0 HG SER A 13 -25.010 -4.528 -0.718 1.00 0.00 H new ATOM 198 N CYS A 14 -20.957 -3.823 -3.276 1.00 0.00 N ATOM 199 CA CYS A 14 -20.250 -3.192 -4.377 1.00 0.00 C ATOM 200 C CYS A 14 -18.806 -3.681 -4.431 1.00 0.00 C ATOM 201 O CYS A 14 -18.286 -4.022 -5.494 1.00 0.00 O ATOM 202 CB CYS A 14 -20.286 -1.682 -4.179 1.00 0.00 C ATOM 203 SG CYS A 14 -21.916 -1.051 -3.717 1.00 0.00 S ATOM 0 H CYS A 14 -20.934 -3.287 -2.408 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.732 -3.453 -5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.567 -1.408 -3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.965 -1.195 -5.100 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.275 -0.123 -4.554 1.00 0.00 H new ATOM 209 N ALA A 15 -18.180 -3.728 -3.262 1.00 0.00 N ATOM 210 CA ALA A 15 -16.800 -4.177 -3.129 1.00 0.00 C ATOM 211 C ALA A 15 -16.642 -5.624 -3.577 1.00 0.00 C ATOM 212 O ALA A 15 -15.566 -6.032 -4.012 1.00 0.00 O ATOM 213 CB ALA A 15 -16.342 -4.020 -1.688 1.00 0.00 C ATOM 0 H ALA A 15 -18.614 -3.456 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.177 -3.558 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.310 -4.357 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.409 -2.972 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.979 -4.618 -1.037 1.00 0.00 H new ATOM 219 N ALA A 16 -17.723 -6.390 -3.471 1.00 0.00 N ATOM 220 CA ALA A 16 -17.722 -7.790 -3.871 1.00 0.00 C ATOM 221 C ALA A 16 -17.389 -7.931 -5.348 1.00 0.00 C ATOM 222 O ALA A 16 -16.563 -8.757 -5.729 1.00 0.00 O ATOM 223 CB ALA A 16 -19.070 -8.427 -3.571 1.00 0.00 C ATOM 0 H ALA A 16 -18.617 -6.060 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.954 -8.308 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.054 -9.473 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.273 -8.363 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.851 -7.901 -4.120 1.00 0.00 H new ATOM 229 N HIS A 17 -18.021 -7.100 -6.172 1.00 0.00 N ATOM 230 CA HIS A 17 -17.797 -7.126 -7.613 1.00 0.00 C ATOM 231 C HIS A 17 -16.361 -6.735 -7.937 1.00 0.00 C ATOM 232 O HIS A 17 -15.726 -7.323 -8.817 1.00 0.00 O ATOM 233 CB HIS A 17 -18.777 -6.187 -8.323 1.00 0.00 C ATOM 234 CG HIS A 17 -19.373 -6.772 -9.569 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.364 -6.146 -10.293 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.114 -7.933 -10.221 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.688 -6.889 -11.331 1.00 0.00 C ATOM 238 NE2 HIS A 17 -19.946 -7.979 -11.313 1.00 0.00 N ATOM 0 H HIS A 17 -18.694 -6.398 -5.864 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.968 -8.142 -7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.580 -5.925 -7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.261 -5.261 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.389 -8.681 -9.935 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.435 -6.647 -12.072 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.984 -8.733 -11.998 1.00 0.00 H new ATOM 247 N VAL A 18 -15.854 -5.749 -7.206 1.00 0.00 N ATOM 248 CA VAL A 18 -14.478 -5.308 -7.359 1.00 0.00 C ATOM 249 C VAL A 18 -13.524 -6.434 -6.977 1.00 0.00 C ATOM 250 O VAL A 18 -12.580 -6.741 -7.703 1.00 0.00 O ATOM 251 CB VAL A 18 -14.190 -4.075 -6.477 1.00 0.00 C ATOM 252 CG1 VAL A 18 -12.773 -3.568 -6.696 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.204 -2.975 -6.749 1.00 0.00 C ATOM 0 H VAL A 18 -16.382 -5.239 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.327 -5.034 -8.403 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.281 -4.376 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.596 -2.699 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.062 -4.354 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.644 -3.288 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.985 -2.114 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.149 -2.680 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.206 -3.341 -6.527 1.00 0.00 H new ATOM 263 N LYS A 19 -13.801 -7.059 -5.842 1.00 0.00 N ATOM 264 CA LYS A 19 -12.992 -8.162 -5.349 1.00 0.00 C ATOM 265 C LYS A 19 -13.038 -9.339 -6.315 1.00 0.00 C ATOM 266 O LYS A 19 -12.032 -10.004 -6.538 1.00 0.00 O ATOM 267 CB LYS A 19 -13.477 -8.593 -3.962 1.00 0.00 C ATOM 268 CG LYS A 19 -12.588 -9.630 -3.290 1.00 0.00 C ATOM 269 CD LYS A 19 -13.414 -10.679 -2.561 1.00 0.00 C ATOM 270 CE LYS A 19 -14.218 -11.529 -3.533 1.00 0.00 C ATOM 271 NZ LYS A 19 -15.241 -12.349 -2.837 1.00 0.00 N ATOM 0 H LYS A 19 -14.588 -6.817 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.959 -7.824 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.540 -7.714 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.486 -8.997 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.961 -10.114 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.919 -9.136 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.755 -11.320 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.089 -10.189 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.706 -10.883 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.544 -12.183 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.767 -12.913 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.774 -12.984 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.900 -11.725 -2.329 1.00 0.00 H new ATOM 285 N GLU A 20 -14.212 -9.593 -6.882 1.00 0.00 N ATOM 286 CA GLU A 20 -14.363 -10.652 -7.871 1.00 0.00 C ATOM 287 C GLU A 20 -13.528 -10.347 -9.105 1.00 0.00 C ATOM 288 O GLU A 20 -12.802 -11.211 -9.609 1.00 0.00 O ATOM 289 CB GLU A 20 -15.829 -10.822 -8.264 1.00 0.00 C ATOM 290 CG GLU A 20 -16.618 -11.701 -7.312 1.00 0.00 C ATOM 291 CD GLU A 20 -18.110 -11.454 -7.393 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.600 -11.080 -8.481 1.00 0.00 O ATOM 293 OE2 GLU A 20 -18.802 -11.638 -6.370 1.00 0.00 O ATOM 0 H GLU A 20 -15.070 -9.082 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.012 -11.583 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.299 -9.840 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.880 -11.249 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.414 -12.748 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.279 -11.522 -6.292 1.00 0.00 H new ATOM 300 N ALA A 21 -13.609 -9.105 -9.566 1.00 0.00 N ATOM 301 CA ALA A 21 -12.835 -8.676 -10.717 1.00 0.00 C ATOM 302 C ALA A 21 -11.354 -8.848 -10.434 1.00 0.00 C ATOM 303 O ALA A 21 -10.585 -9.273 -11.299 1.00 0.00 O ATOM 304 CB ALA A 21 -13.149 -7.230 -11.064 1.00 0.00 C ATOM 0 H ALA A 21 -14.202 -8.381 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.104 -9.295 -11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.559 -6.927 -11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.210 -7.134 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.904 -6.591 -10.216 1.00 0.00 H new ATOM 310 N LEU A 22 -10.969 -8.533 -9.206 1.00 0.00 N ATOM 311 CA LEU A 22 -9.590 -8.672 -8.770 1.00 0.00 C ATOM 312 C LEU A 22 -9.193 -10.140 -8.718 1.00 0.00 C ATOM 313 O LEU A 22 -8.108 -10.517 -9.153 1.00 0.00 O ATOM 314 CB LEU A 22 -9.393 -8.022 -7.400 1.00 0.00 C ATOM 315 CG LEU A 22 -9.233 -6.501 -7.424 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.654 -5.897 -6.094 1.00 0.00 C ATOM 317 CD2 LEU A 22 -7.798 -6.121 -7.756 1.00 0.00 C ATOM 0 H LEU A 22 -11.600 -8.176 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.950 -8.164 -9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.246 -8.273 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.511 -8.458 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.883 -6.099 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.533 -4.814 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.699 -6.139 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.033 -6.304 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.703 -5.035 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.128 -6.535 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.533 -6.520 -8.735 1.00 0.00 H new ATOM 329 N GLU A 23 -10.085 -10.968 -8.195 1.00 0.00 N ATOM 330 CA GLU A 23 -9.821 -12.394 -8.057 1.00 0.00 C ATOM 331 C GLU A 23 -9.743 -13.072 -9.419 1.00 0.00 C ATOM 332 O GLU A 23 -9.162 -14.149 -9.557 1.00 0.00 O ATOM 333 CB GLU A 23 -10.898 -13.057 -7.204 1.00 0.00 C ATOM 334 CG GLU A 23 -10.588 -13.010 -5.721 1.00 0.00 C ATOM 335 CD GLU A 23 -11.280 -14.109 -4.945 1.00 0.00 C ATOM 336 OE1 GLU A 23 -12.500 -14.305 -5.133 1.00 0.00 O ATOM 337 OE2 GLU A 23 -10.604 -14.794 -4.151 1.00 0.00 O ATOM 0 H GLU A 23 -11.002 -10.676 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.857 -12.508 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.853 -12.564 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.011 -14.096 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.511 -13.092 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.891 -12.042 -5.321 1.00 0.00 H new ATOM 344 N LYS A 24 -10.340 -12.448 -10.426 1.00 0.00 N ATOM 345 CA LYS A 24 -10.260 -12.954 -11.784 1.00 0.00 C ATOM 346 C LYS A 24 -8.943 -12.532 -12.442 1.00 0.00 C ATOM 347 O LYS A 24 -8.568 -13.044 -13.502 1.00 0.00 O ATOM 348 CB LYS A 24 -11.451 -12.447 -12.592 1.00 0.00 C ATOM 349 CG LYS A 24 -12.777 -13.045 -12.154 1.00 0.00 C ATOM 350 CD LYS A 24 -13.543 -13.633 -13.325 1.00 0.00 C ATOM 351 CE LYS A 24 -15.043 -13.549 -13.098 1.00 0.00 C ATOM 352 NZ LYS A 24 -15.808 -14.237 -14.171 1.00 0.00 N ATOM 0 H LYS A 24 -10.884 -11.591 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.288 -14.043 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.504 -11.362 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.289 -12.674 -13.646 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.598 -13.821 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.382 -12.276 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.280 -13.100 -14.239 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.252 -14.674 -13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.289 -13.995 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.345 -12.503 -13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.827 -14.156 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.593 -13.796 -15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.540 -15.241 -14.199 1.00 0.00 H new ATOM 366 N VAL A 25 -8.253 -11.591 -11.810 1.00 0.00 N ATOM 367 CA VAL A 25 -6.951 -11.131 -12.276 1.00 0.00 C ATOM 368 C VAL A 25 -5.840 -12.028 -11.722 1.00 0.00 C ATOM 369 O VAL A 25 -5.730 -12.218 -10.511 1.00 0.00 O ATOM 370 CB VAL A 25 -6.699 -9.663 -11.861 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.262 -9.250 -12.140 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.665 -8.731 -12.577 1.00 0.00 C ATOM 0 H VAL A 25 -8.579 -11.126 -10.962 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.945 -11.186 -13.365 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.870 -9.587 -10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.116 -8.213 -11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.583 -9.891 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.055 -9.350 -13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.472 -7.703 -12.272 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.527 -8.822 -13.654 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.689 -9.000 -12.318 1.00 0.00 H new ATOM 382 N PRO A 26 -5.001 -12.593 -12.606 1.00 0.00 N ATOM 383 CA PRO A 26 -3.929 -13.518 -12.213 1.00 0.00 C ATOM 384 C PRO A 26 -2.811 -12.837 -11.423 1.00 0.00 C ATOM 385 O PRO A 26 -2.020 -13.498 -10.750 1.00 0.00 O ATOM 386 CB PRO A 26 -3.385 -14.042 -13.552 1.00 0.00 C ATOM 387 CG PRO A 26 -4.388 -13.639 -14.582 1.00 0.00 C ATOM 388 CD PRO A 26 -5.036 -12.391 -14.061 1.00 0.00 C ATOM 0 HA PRO A 26 -4.307 -14.298 -11.552 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.406 -13.615 -13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.262 -15.125 -13.528 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.908 -13.457 -15.544 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.126 -14.426 -14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.490 -11.496 -14.359 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.056 -12.280 -14.430 1.00 0.00 H new ATOM 396 N GLY A 27 -2.755 -11.512 -11.497 1.00 0.00 N ATOM 397 CA GLY A 27 -1.691 -10.772 -10.842 1.00 0.00 C ATOM 398 C GLY A 27 -1.993 -10.455 -9.389 1.00 0.00 C ATOM 399 O GLY A 27 -1.185 -9.824 -8.706 1.00 0.00 O ATOM 0 H GLY A 27 -3.429 -10.935 -12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.768 -11.349 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.518 -9.841 -11.382 1.00 0.00 H new ATOM 403 N VAL A 28 -3.151 -10.885 -8.913 1.00 0.00 N ATOM 404 CA VAL A 28 -3.551 -10.627 -7.538 1.00 0.00 C ATOM 405 C VAL A 28 -3.004 -11.703 -6.607 1.00 0.00 C ATOM 406 O VAL A 28 -3.173 -12.899 -6.853 1.00 0.00 O ATOM 407 CB VAL A 28 -5.090 -10.538 -7.406 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.542 -10.720 -5.962 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.581 -9.207 -7.952 1.00 0.00 C ATOM 0 H VAL A 28 -3.831 -11.415 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.130 -9.664 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.525 -11.349 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.629 -10.651 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.222 -11.698 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.099 -9.942 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.665 -9.152 -7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.125 -8.392 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.305 -9.121 -9.003 1.00 0.00 H new ATOM 419 N GLN A 29 -2.322 -11.272 -5.553 1.00 0.00 N ATOM 420 CA GLN A 29 -1.818 -12.186 -4.540 1.00 0.00 C ATOM 421 C GLN A 29 -2.788 -12.239 -3.368 1.00 0.00 C ATOM 422 O GLN A 29 -3.131 -13.313 -2.873 1.00 0.00 O ATOM 423 CB GLN A 29 -0.432 -11.745 -4.070 1.00 0.00 C ATOM 424 CG GLN A 29 0.436 -12.885 -3.566 1.00 0.00 C ATOM 425 CD GLN A 29 1.276 -12.486 -2.370 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.827 -11.387 -2.320 1.00 0.00 O ATOM 427 NE2 GLN A 29 1.388 -13.378 -1.403 1.00 0.00 N ATOM 0 H GLN A 29 -2.105 -10.291 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.731 -13.183 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.080 -11.248 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.546 -11.008 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.198 -13.729 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.090 -13.223 -4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.915 -14.278 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.947 -13.167 -0.577 1.00 0.00 H new ATOM 436 N SER A 30 -3.222 -11.070 -2.921 1.00 0.00 N ATOM 437 CA SER A 30 -4.225 -10.966 -1.866 1.00 0.00 C ATOM 438 C SER A 30 -4.977 -9.647 -1.995 1.00 0.00 C ATOM 439 O SER A 30 -4.375 -8.577 -1.932 1.00 0.00 O ATOM 440 CB SER A 30 -3.570 -11.062 -0.483 1.00 0.00 C ATOM 441 OG SER A 30 -2.474 -11.966 -0.489 1.00 0.00 O ATOM 0 H SER A 30 -2.893 -10.172 -3.275 1.00 0.00 H new ATOM 0 HA SER A 30 -4.927 -11.793 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.228 -10.075 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.309 -11.389 0.249 1.00 0.00 H new ATOM 0 HG SER A 30 -2.077 -12.004 0.406 1.00 0.00 H new ATOM 447 N ALA A 31 -6.283 -9.720 -2.197 1.00 0.00 N ATOM 448 CA ALA A 31 -7.091 -8.520 -2.372 1.00 0.00 C ATOM 449 C ALA A 31 -8.113 -8.372 -1.251 1.00 0.00 C ATOM 450 O ALA A 31 -9.051 -9.159 -1.147 1.00 0.00 O ATOM 451 CB ALA A 31 -7.786 -8.544 -3.727 1.00 0.00 C ATOM 0 H ALA A 31 -6.807 -10.594 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.426 -7.657 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.386 -7.642 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.038 -8.588 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.432 -9.420 -3.789 1.00 0.00 H new ATOM 457 N LEU A 32 -7.924 -7.359 -0.415 1.00 0.00 N ATOM 458 CA LEU A 32 -8.828 -7.109 0.698 1.00 0.00 C ATOM 459 C LEU A 32 -9.533 -5.768 0.528 1.00 0.00 C ATOM 460 O LEU A 32 -8.973 -4.714 0.833 1.00 0.00 O ATOM 461 CB LEU A 32 -8.063 -7.133 2.025 1.00 0.00 C ATOM 462 CG LEU A 32 -7.477 -8.489 2.416 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.464 -8.325 3.539 1.00 0.00 C ATOM 464 CD2 LEU A 32 -8.584 -9.450 2.825 1.00 0.00 C ATOM 0 H LEU A 32 -7.151 -6.697 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.579 -7.899 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.252 -6.407 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.734 -6.803 2.818 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.964 -8.908 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.056 -9.300 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.657 -7.672 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.953 -7.886 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.149 -10.411 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.126 -9.040 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.272 -9.589 1.991 1.00 0.00 H new ATOM 476 N VAL A 33 -10.758 -5.811 0.033 1.00 0.00 N ATOM 477 CA VAL A 33 -11.543 -4.600 -0.160 1.00 0.00 C ATOM 478 C VAL A 33 -12.348 -4.297 1.097 1.00 0.00 C ATOM 479 O VAL A 33 -12.979 -5.183 1.667 1.00 0.00 O ATOM 480 CB VAL A 33 -12.500 -4.724 -1.366 1.00 0.00 C ATOM 481 CG1 VAL A 33 -12.878 -3.351 -1.895 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.875 -5.565 -2.470 1.00 0.00 C ATOM 0 H VAL A 33 -11.232 -6.671 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.847 -3.786 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.407 -5.225 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.552 -3.461 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.374 -2.782 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.979 -2.823 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.568 -5.638 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.949 -5.097 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.660 -6.563 -2.089 1.00 0.00 H new ATOM 492 N SER A 34 -12.316 -3.049 1.531 1.00 0.00 N ATOM 493 CA SER A 34 -12.983 -2.658 2.757 1.00 0.00 C ATOM 494 C SER A 34 -14.337 -2.014 2.471 1.00 0.00 C ATOM 495 O SER A 34 -14.417 -0.924 1.892 1.00 0.00 O ATOM 496 CB SER A 34 -12.093 -1.708 3.556 1.00 0.00 C ATOM 497 OG SER A 34 -11.054 -2.421 4.214 1.00 0.00 O ATOM 0 H SER A 34 -11.834 -2.289 1.051 1.00 0.00 H new ATOM 0 HA SER A 34 -13.164 -3.556 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.662 -0.961 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.694 -1.172 4.291 1.00 0.00 H new ATOM 0 HG SER A 34 -10.246 -2.408 3.660 1.00 0.00 H new ATOM 503 N TYR A 35 -15.386 -2.710 2.906 1.00 0.00 N ATOM 504 CA TYR A 35 -16.769 -2.264 2.753 1.00 0.00 C ATOM 505 C TYR A 35 -17.053 -0.957 3.519 1.00 0.00 C ATOM 506 O TYR A 35 -17.685 -0.059 2.962 1.00 0.00 O ATOM 507 CB TYR A 35 -17.732 -3.407 3.161 1.00 0.00 C ATOM 508 CG TYR A 35 -18.647 -3.137 4.343 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.756 -2.315 4.202 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.394 -3.685 5.597 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.590 -2.050 5.266 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.228 -3.425 6.670 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.321 -2.679 6.519 1.00 0.00 C ATOM 514 OH TYR A 35 -21.161 -2.344 7.563 1.00 0.00 O ATOM 0 H TYR A 35 -15.298 -3.609 3.380 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.940 -2.027 1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.352 -3.653 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.135 -4.291 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.970 -1.874 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.534 -4.323 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.430 -1.380 5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.990 -3.832 7.642 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.890 -2.830 8.370 1.00 0.00 H new ATOM 524 N PRO A 36 -16.595 -0.797 4.790 1.00 0.00 N ATOM 525 CA PRO A 36 -16.888 0.416 5.563 1.00 0.00 C ATOM 526 C PRO A 36 -16.041 1.611 5.128 1.00 0.00 C ATOM 527 O PRO A 36 -16.360 2.760 5.443 1.00 0.00 O ATOM 528 CB PRO A 36 -16.545 0.011 6.996 1.00 0.00 C ATOM 529 CG PRO A 36 -15.476 -1.012 6.851 1.00 0.00 C ATOM 530 CD PRO A 36 -15.781 -1.757 5.579 1.00 0.00 C ATOM 0 HA PRO A 36 -17.920 0.742 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.199 0.866 7.578 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.415 -0.395 7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.493 -0.544 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.465 -1.688 7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.869 -2.036 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.330 -2.678 5.777 1.00 0.00 H new ATOM 538 N LYS A 37 -14.973 1.340 4.388 1.00 0.00 N ATOM 539 CA LYS A 37 -14.044 2.377 3.985 1.00 0.00 C ATOM 540 C LYS A 37 -14.313 2.812 2.552 1.00 0.00 C ATOM 541 O LYS A 37 -14.045 3.953 2.177 1.00 0.00 O ATOM 542 CB LYS A 37 -12.611 1.864 4.120 1.00 0.00 C ATOM 543 CG LYS A 37 -11.833 2.521 5.244 1.00 0.00 C ATOM 544 CD LYS A 37 -10.786 3.470 4.696 1.00 0.00 C ATOM 545 CE LYS A 37 -10.058 4.209 5.808 1.00 0.00 C ATOM 546 NZ LYS A 37 -8.679 4.602 5.412 1.00 0.00 N ATOM 0 H LYS A 37 -14.732 0.406 4.056 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.180 3.241 4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.634 0.787 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.085 2.030 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.517 3.065 5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.352 1.756 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.066 2.911 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.261 4.191 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.624 5.100 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.013 3.576 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.221 5.103 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.130 3.751 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.721 5.228 4.582 1.00 0.00 H new ATOM 560 N GLY A 38 -14.862 1.901 1.761 1.00 0.00 N ATOM 561 CA GLY A 38 -15.062 2.173 0.356 1.00 0.00 C ATOM 562 C GLY A 38 -13.746 2.182 -0.384 1.00 0.00 C ATOM 563 O GLY A 38 -13.571 2.907 -1.367 1.00 0.00 O ATOM 0 H GLY A 38 -15.172 0.979 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.721 1.419 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.558 3.136 0.235 1.00 0.00 H new ATOM 567 N THR A 39 -12.809 1.381 0.100 1.00 0.00 N ATOM 568 CA THR A 39 -11.479 1.330 -0.493 1.00 0.00 C ATOM 569 C THR A 39 -10.989 -0.103 -0.619 1.00 0.00 C ATOM 570 O THR A 39 -11.462 -0.993 0.082 1.00 0.00 O ATOM 571 CB THR A 39 -10.448 2.125 0.332 1.00 0.00 C ATOM 572 OG1 THR A 39 -11.102 2.869 1.367 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.660 3.074 -0.557 1.00 0.00 C ATOM 0 H THR A 39 -12.943 0.760 0.898 1.00 0.00 H new ATOM 0 HA THR A 39 -11.569 1.781 -1.481 1.00 0.00 H new ATOM 0 HB THR A 39 -9.758 1.412 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.435 3.367 1.883 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.939 3.624 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.133 2.503 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.343 3.776 -1.035 1.00 0.00 H new ATOM 581 N ALA A 40 -10.032 -0.311 -1.503 1.00 0.00 N ATOM 582 CA ALA A 40 -9.462 -1.628 -1.714 1.00 0.00 C ATOM 583 C ALA A 40 -8.002 -1.652 -1.286 1.00 0.00 C ATOM 584 O ALA A 40 -7.206 -0.817 -1.718 1.00 0.00 O ATOM 585 CB ALA A 40 -9.595 -2.036 -3.175 1.00 0.00 C ATOM 0 H ALA A 40 -9.631 0.420 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.012 -2.344 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.163 -3.026 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.649 -2.057 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.069 -1.317 -3.803 1.00 0.00 H new ATOM 591 N GLN A 41 -7.662 -2.597 -0.427 1.00 0.00 N ATOM 592 CA GLN A 41 -6.293 -2.771 0.027 1.00 0.00 C ATOM 593 C GLN A 41 -5.752 -4.079 -0.519 1.00 0.00 C ATOM 594 O GLN A 41 -6.032 -5.151 0.019 1.00 0.00 O ATOM 595 CB GLN A 41 -6.226 -2.776 1.557 1.00 0.00 C ATOM 596 CG GLN A 41 -6.524 -1.424 2.183 1.00 0.00 C ATOM 597 CD GLN A 41 -7.869 -1.374 2.886 1.00 0.00 C ATOM 598 OE1 GLN A 41 -8.636 -2.451 2.797 1.00 0.00 O flip ATOM 599 NE2 GLN A 41 -8.217 -0.368 3.510 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.323 -3.262 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.689 -1.940 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.935 -3.509 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.233 -3.100 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.738 -1.181 2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.498 -0.658 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.599 0.442 3.556 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.122 -0.347 3.979 1.00 0.00 H new ATOM 608 N LEU A 42 -5.003 -4.004 -1.602 1.00 0.00 N ATOM 609 CA LEU A 42 -4.540 -5.212 -2.262 1.00 0.00 C ATOM 610 C LEU A 42 -3.027 -5.353 -2.211 1.00 0.00 C ATOM 611 O LEU A 42 -2.289 -4.373 -2.058 1.00 0.00 O ATOM 612 CB LEU A 42 -5.011 -5.250 -3.720 1.00 0.00 C ATOM 613 CG LEU A 42 -5.238 -3.885 -4.368 1.00 0.00 C ATOM 614 CD1 LEU A 42 -4.398 -3.743 -5.625 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.709 -3.688 -4.690 1.00 0.00 C ATOM 0 H LEU A 42 -4.705 -3.132 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.973 -6.051 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.273 -5.795 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.941 -5.817 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.931 -3.115 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.574 -2.764 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.343 -3.841 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.674 -4.521 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.853 -2.711 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.038 -4.466 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.293 -3.746 -3.772 1.00 0.00 H new ATOM 627 N ALA A 43 -2.592 -6.596 -2.301 1.00 0.00 N ATOM 628 CA ALA A 43 -1.199 -6.932 -2.495 1.00 0.00 C ATOM 629 C ALA A 43 -1.082 -7.719 -3.789 1.00 0.00 C ATOM 630 O ALA A 43 -1.584 -8.841 -3.890 1.00 0.00 O ATOM 631 CB ALA A 43 -0.666 -7.736 -1.316 1.00 0.00 C ATOM 0 H ALA A 43 -3.206 -7.408 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.600 -6.024 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.384 -7.977 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.761 -7.149 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.238 -8.658 -1.216 1.00 0.00 H new ATOM 637 N ILE A 44 -0.470 -7.117 -4.790 1.00 0.00 N ATOM 638 CA ILE A 44 -0.399 -7.730 -6.105 1.00 0.00 C ATOM 639 C ILE A 44 1.041 -7.977 -6.521 1.00 0.00 C ATOM 640 O ILE A 44 1.974 -7.443 -5.920 1.00 0.00 O ATOM 641 CB ILE A 44 -1.092 -6.859 -7.176 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.683 -5.391 -7.027 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.604 -7.009 -7.082 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.127 -4.788 -8.298 1.00 0.00 C ATOM 0 H ILE A 44 -0.015 -6.207 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.921 -8.684 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.772 -7.201 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.549 -4.811 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.064 -5.308 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.079 -6.390 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.877 -8.052 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.940 -6.693 -6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.142 -3.747 -8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.758 -5.343 -8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.880 -4.839 -9.084 1.00 0.00 H new ATOM 656 N VAL A 45 1.210 -8.796 -7.548 1.00 0.00 N ATOM 657 CA VAL A 45 2.524 -9.060 -8.108 1.00 0.00 C ATOM 658 C VAL A 45 2.997 -7.836 -8.885 1.00 0.00 C ATOM 659 O VAL A 45 2.239 -7.290 -9.694 1.00 0.00 O ATOM 660 CB VAL A 45 2.499 -10.297 -9.040 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.907 -10.693 -9.468 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.793 -11.465 -8.360 1.00 0.00 C ATOM 0 H VAL A 45 0.448 -9.291 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 45 3.213 -9.270 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 45 1.941 -10.031 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.857 -11.564 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.371 -9.864 -10.003 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.501 -10.934 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.785 -12.325 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.321 -11.725 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.768 -11.181 -8.121 1.00 0.00 H new ATOM 672 N PRO A 46 4.242 -7.377 -8.638 1.00 0.00 N ATOM 673 CA PRO A 46 4.803 -6.176 -9.282 1.00 0.00 C ATOM 674 C PRO A 46 5.095 -6.367 -10.775 1.00 0.00 C ATOM 675 O PRO A 46 6.141 -5.956 -11.279 1.00 0.00 O ATOM 676 CB PRO A 46 6.105 -5.936 -8.509 1.00 0.00 C ATOM 677 CG PRO A 46 6.484 -7.277 -7.990 1.00 0.00 C ATOM 678 CD PRO A 46 5.193 -7.982 -7.687 1.00 0.00 C ATOM 0 HA PRO A 46 4.101 -5.343 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.881 -5.527 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.959 -5.223 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.067 -7.830 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.100 -7.189 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.279 -9.059 -7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.883 -7.826 -6.654 1.00 0.00 H new ATOM 686 N GLY A 47 4.158 -6.986 -11.467 1.00 0.00 N ATOM 687 CA GLY A 47 4.231 -7.110 -12.903 1.00 0.00 C ATOM 688 C GLY A 47 2.955 -6.605 -13.529 1.00 0.00 C ATOM 689 O GLY A 47 2.956 -6.058 -14.631 1.00 0.00 O ATOM 0 H GLY A 47 3.331 -7.413 -11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.081 -6.543 -13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.394 -8.152 -13.179 1.00 0.00 H new ATOM 693 N THR A 48 1.861 -6.810 -12.812 1.00 0.00 N ATOM 694 CA THR A 48 0.570 -6.267 -13.184 1.00 0.00 C ATOM 695 C THR A 48 0.511 -4.785 -12.862 1.00 0.00 C ATOM 696 O THR A 48 0.902 -4.363 -11.772 1.00 0.00 O ATOM 697 CB THR A 48 -0.553 -6.994 -12.427 1.00 0.00 C ATOM 698 OG1 THR A 48 0.017 -7.930 -11.495 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.476 -7.724 -13.390 1.00 0.00 C ATOM 0 H THR A 48 1.847 -7.360 -11.953 1.00 0.00 H new ATOM 0 HA THR A 48 0.435 -6.411 -14.256 1.00 0.00 H new ATOM 0 HB THR A 48 -1.140 -6.251 -11.887 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.493 -7.911 -10.658 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.261 -8.230 -12.828 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.925 -7.007 -14.077 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.904 -8.459 -13.956 1.00 0.00 H new ATOM 707 N SER A 49 0.050 -3.995 -13.812 1.00 0.00 N ATOM 708 CA SER A 49 -0.121 -2.580 -13.585 1.00 0.00 C ATOM 709 C SER A 49 -1.426 -2.323 -12.835 1.00 0.00 C ATOM 710 O SER A 49 -2.500 -2.697 -13.303 1.00 0.00 O ATOM 711 CB SER A 49 -0.107 -1.832 -14.919 1.00 0.00 C ATOM 712 OG SER A 49 0.497 -2.625 -15.930 1.00 0.00 O ATOM 0 H SER A 49 -0.211 -4.312 -14.746 1.00 0.00 H new ATOM 0 HA SER A 49 0.704 -2.213 -12.974 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.126 -1.577 -15.210 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.438 -0.894 -14.811 1.00 0.00 H new ATOM 0 HG SER A 49 0.496 -2.132 -16.777 1.00 0.00 H new ATOM 718 N PRO A 50 -1.360 -1.683 -11.658 1.00 0.00 N ATOM 719 CA PRO A 50 -2.550 -1.422 -10.841 1.00 0.00 C ATOM 720 C PRO A 50 -3.487 -0.419 -11.497 1.00 0.00 C ATOM 721 O PRO A 50 -4.646 -0.273 -11.105 1.00 0.00 O ATOM 722 CB PRO A 50 -1.981 -0.868 -9.534 1.00 0.00 C ATOM 723 CG PRO A 50 -0.643 -0.318 -9.898 1.00 0.00 C ATOM 724 CD PRO A 50 -0.129 -1.174 -11.024 1.00 0.00 C ATOM 0 HA PRO A 50 -3.153 -2.319 -10.699 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.626 -0.094 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.894 -1.649 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.721 0.725 -10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.035 -0.348 -9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.474 -0.596 -11.724 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.499 -1.986 -10.657 1.00 0.00 H new ATOM 732 N ASP A 51 -2.984 0.237 -12.525 1.00 0.00 N ATOM 733 CA ASP A 51 -3.771 1.171 -13.301 1.00 0.00 C ATOM 734 C ASP A 51 -4.764 0.392 -14.143 1.00 0.00 C ATOM 735 O ASP A 51 -5.851 0.870 -14.466 1.00 0.00 O ATOM 736 CB ASP A 51 -2.839 2.006 -14.183 1.00 0.00 C ATOM 737 CG ASP A 51 -3.567 2.781 -15.259 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.198 3.806 -14.934 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.477 2.383 -16.438 1.00 0.00 O ATOM 0 H ASP A 51 -2.020 0.137 -12.844 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.320 1.847 -12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.284 2.703 -13.555 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.107 1.348 -14.651 1.00 0.00 H new ATOM 744 N ALA A 52 -4.395 -0.848 -14.440 1.00 0.00 N ATOM 745 CA ALA A 52 -5.226 -1.710 -15.260 1.00 0.00 C ATOM 746 C ALA A 52 -6.391 -2.240 -14.446 1.00 0.00 C ATOM 747 O ALA A 52 -7.483 -2.450 -14.966 1.00 0.00 O ATOM 748 CB ALA A 52 -4.411 -2.850 -15.846 1.00 0.00 C ATOM 0 H ALA A 52 -3.525 -1.276 -14.124 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.621 -1.124 -16.090 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.056 -3.482 -16.456 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.610 -2.444 -16.464 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.981 -3.443 -15.038 1.00 0.00 H new ATOM 754 N LEU A 53 -6.146 -2.439 -13.159 1.00 0.00 N ATOM 755 CA LEU A 53 -7.185 -2.872 -12.238 1.00 0.00 C ATOM 756 C LEU A 53 -8.167 -1.732 -12.030 1.00 0.00 C ATOM 757 O LEU A 53 -9.382 -1.930 -12.017 1.00 0.00 O ATOM 758 CB LEU A 53 -6.575 -3.296 -10.899 1.00 0.00 C ATOM 759 CG LEU A 53 -5.345 -4.205 -11.001 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.637 -4.302 -9.659 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.744 -5.586 -11.497 1.00 0.00 C ATOM 0 H LEU A 53 -5.231 -2.306 -12.728 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.705 -3.732 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.299 -2.400 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.339 -3.810 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.653 -3.767 -11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.767 -4.952 -9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.316 -3.309 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.320 -4.715 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.859 -6.218 -11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.456 -6.031 -10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.203 -5.500 -12.482 1.00 0.00 H new ATOM 773 N THR A 54 -7.617 -0.533 -11.892 1.00 0.00 N ATOM 774 CA THR A 54 -8.413 0.676 -11.787 1.00 0.00 C ATOM 775 C THR A 54 -9.331 0.822 -13.002 1.00 0.00 C ATOM 776 O THR A 54 -10.547 1.005 -12.867 1.00 0.00 O ATOM 777 CB THR A 54 -7.496 1.910 -11.674 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.528 1.703 -10.635 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.299 3.167 -11.384 1.00 0.00 C ATOM 0 H THR A 54 -6.610 -0.374 -11.850 1.00 0.00 H new ATOM 0 HA THR A 54 -9.028 0.605 -10.890 1.00 0.00 H new ATOM 0 HB THR A 54 -6.987 2.043 -12.629 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.823 1.104 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.625 4.020 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.012 3.337 -12.190 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.837 3.046 -10.443 1.00 0.00 H new ATOM 787 N ALA A 55 -8.746 0.707 -14.188 1.00 0.00 N ATOM 788 CA ALA A 55 -9.508 0.814 -15.424 1.00 0.00 C ATOM 789 C ALA A 55 -10.500 -0.336 -15.554 1.00 0.00 C ATOM 790 O ALA A 55 -11.583 -0.173 -16.114 1.00 0.00 O ATOM 791 CB ALA A 55 -8.575 0.855 -16.623 1.00 0.00 C ATOM 0 H ALA A 55 -7.748 0.540 -14.319 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.074 1.745 -15.395 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.162 0.935 -17.538 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.913 1.717 -16.540 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.980 -0.058 -16.652 1.00 0.00 H new ATOM 797 N ALA A 56 -10.124 -1.498 -15.034 1.00 0.00 N ATOM 798 CA ALA A 56 -11.006 -2.662 -15.050 1.00 0.00 C ATOM 799 C ALA A 56 -12.250 -2.417 -14.202 1.00 0.00 C ATOM 800 O ALA A 56 -13.364 -2.738 -14.616 1.00 0.00 O ATOM 801 CB ALA A 56 -10.269 -3.904 -14.566 1.00 0.00 C ATOM 0 H ALA A 56 -9.217 -1.661 -14.597 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.323 -2.828 -16.080 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.945 -4.759 -14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.418 -4.099 -15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.917 -3.744 -13.547 1.00 0.00 H new ATOM 807 N VAL A 57 -12.058 -1.841 -13.016 1.00 0.00 N ATOM 808 CA VAL A 57 -13.175 -1.539 -12.127 1.00 0.00 C ATOM 809 C VAL A 57 -14.020 -0.394 -12.684 1.00 0.00 C ATOM 810 O VAL A 57 -15.250 -0.431 -12.621 1.00 0.00 O ATOM 811 CB VAL A 57 -12.700 -1.194 -10.702 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.884 -0.893 -9.794 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.865 -2.328 -10.128 1.00 0.00 C ATOM 0 H VAL A 57 -11.143 -1.576 -12.651 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.787 -2.439 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.078 -0.300 -10.759 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.524 -0.652 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.442 -0.046 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.536 -1.765 -9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.539 -2.066 -9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.464 -3.238 -10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.993 -2.494 -10.760 1.00 0.00 H new ATOM 823 N ALA A 58 -13.364 0.618 -13.249 1.00 0.00 N ATOM 824 CA ALA A 58 -14.081 1.720 -13.884 1.00 0.00 C ATOM 825 C ALA A 58 -14.860 1.224 -15.100 1.00 0.00 C ATOM 826 O ALA A 58 -15.911 1.762 -15.443 1.00 0.00 O ATOM 827 CB ALA A 58 -13.117 2.827 -14.282 1.00 0.00 C ATOM 0 H ALA A 58 -12.348 0.697 -13.280 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.791 2.126 -13.164 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.670 3.639 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.608 3.202 -13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.381 2.434 -14.984 1.00 0.00 H new ATOM 833 N GLY A 59 -14.352 0.176 -15.729 1.00 0.00 N ATOM 834 CA GLY A 59 -15.018 -0.401 -16.882 1.00 0.00 C ATOM 835 C GLY A 59 -16.043 -1.445 -16.490 1.00 0.00 C ATOM 836 O GLY A 59 -16.553 -2.173 -17.338 1.00 0.00 O ATOM 0 H GLY A 59 -13.485 -0.289 -15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.507 0.390 -17.450 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.275 -0.853 -17.540 1.00 0.00 H new ATOM 840 N LEU A 60 -16.345 -1.526 -15.199 1.00 0.00 N ATOM 841 CA LEU A 60 -17.343 -2.465 -14.707 1.00 0.00 C ATOM 842 C LEU A 60 -18.678 -1.767 -14.497 1.00 0.00 C ATOM 843 O LEU A 60 -19.638 -2.354 -13.996 1.00 0.00 O ATOM 844 CB LEU A 60 -16.874 -3.107 -13.405 1.00 0.00 C ATOM 845 CG LEU A 60 -16.415 -4.558 -13.525 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.267 -4.830 -12.566 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.573 -5.508 -13.260 1.00 0.00 C ATOM 0 H LEU A 60 -15.912 -0.952 -14.475 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.475 -3.247 -15.455 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.052 -2.515 -13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.687 -3.059 -12.681 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.062 -4.727 -14.542 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.950 -5.868 -12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.431 -4.172 -12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.596 -4.645 -11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.227 -6.538 -13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.958 -5.341 -12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.366 -5.327 -13.986 1.00 0.00 H new ATOM 859 N GLY A 61 -18.726 -0.510 -14.890 1.00 0.00 N ATOM 860 CA GLY A 61 -19.931 0.278 -14.729 1.00 0.00 C ATOM 861 C GLY A 61 -19.828 1.237 -13.562 1.00 0.00 C ATOM 862 O GLY A 61 -20.699 2.080 -13.361 1.00 0.00 O ATOM 0 H GLY A 61 -17.947 -0.013 -15.322 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.123 0.839 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.782 -0.387 -14.578 1.00 0.00 H new ATOM 866 N TYR A 62 -18.759 1.099 -12.790 1.00 0.00 N ATOM 867 CA TYR A 62 -18.512 1.972 -11.657 1.00 0.00 C ATOM 868 C TYR A 62 -17.390 2.944 -11.997 1.00 0.00 C ATOM 869 O TYR A 62 -17.138 3.229 -13.168 1.00 0.00 O ATOM 870 CB TYR A 62 -18.117 1.155 -10.424 1.00 0.00 C ATOM 871 CG TYR A 62 -18.909 -0.120 -10.219 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.247 -0.071 -9.846 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.331 -1.367 -10.427 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.982 -1.228 -9.674 1.00 0.00 C ATOM 875 CE2 TYR A 62 -19.062 -2.529 -10.262 1.00 0.00 C ATOM 876 CZ TYR A 62 -20.342 -2.467 -9.801 1.00 0.00 C ATOM 877 OH TYR A 62 -21.120 -3.606 -9.726 1.00 0.00 O ATOM 0 H TYR A 62 -18.045 0.384 -12.932 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.426 2.523 -11.437 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.060 0.900 -10.499 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.231 1.782 -9.540 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.720 0.887 -9.688 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.294 -1.429 -10.722 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.036 -1.178 -9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.618 -3.485 -10.498 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.596 -4.380 -10.020 1.00 0.00 H new ATOM 887 N LYS A 63 -16.721 3.453 -10.975 1.00 0.00 N ATOM 888 CA LYS A 63 -15.531 4.255 -11.179 1.00 0.00 C ATOM 889 C LYS A 63 -14.504 3.922 -10.111 1.00 0.00 C ATOM 890 O LYS A 63 -14.832 3.836 -8.927 1.00 0.00 O ATOM 891 CB LYS A 63 -15.865 5.747 -11.149 1.00 0.00 C ATOM 892 CG LYS A 63 -14.763 6.621 -11.724 1.00 0.00 C ATOM 893 CD LYS A 63 -14.614 7.914 -10.942 1.00 0.00 C ATOM 894 CE LYS A 63 -13.277 8.580 -11.212 1.00 0.00 C ATOM 895 NZ LYS A 63 -13.356 10.054 -11.049 1.00 0.00 N ATOM 0 H LYS A 63 -16.983 3.324 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.118 4.024 -12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.784 5.918 -11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.058 6.048 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.820 6.075 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.984 6.849 -12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.421 8.596 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.710 7.708 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.526 8.178 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.950 8.343 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.425 10.475 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.055 10.440 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.644 10.281 -10.076 1.00 0.00 H new ATOM 909 N ALA A 64 -13.272 3.709 -10.524 1.00 0.00 N ATOM 910 CA ALA A 64 -12.213 3.404 -9.585 1.00 0.00 C ATOM 911 C ALA A 64 -11.120 4.451 -9.652 1.00 0.00 C ATOM 912 O ALA A 64 -10.877 5.044 -10.702 1.00 0.00 O ATOM 913 CB ALA A 64 -11.642 2.024 -9.858 1.00 0.00 C ATOM 0 H ALA A 64 -12.980 3.741 -11.501 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.635 3.412 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.847 1.811 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.430 1.278 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.238 1.991 -10.870 1.00 0.00 H new ATOM 919 N THR A 65 -10.482 4.686 -8.524 1.00 0.00 N ATOM 920 CA THR A 65 -9.326 5.557 -8.459 1.00 0.00 C ATOM 921 C THR A 65 -8.188 4.808 -7.772 1.00 0.00 C ATOM 922 O THR A 65 -8.338 3.632 -7.437 1.00 0.00 O ATOM 923 CB THR A 65 -9.648 6.866 -7.708 1.00 0.00 C ATOM 924 OG1 THR A 65 -10.972 6.803 -7.155 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.553 8.058 -8.646 1.00 0.00 C ATOM 0 H THR A 65 -10.749 4.279 -7.628 1.00 0.00 H new ATOM 0 HA THR A 65 -9.030 5.834 -9.471 1.00 0.00 H new ATOM 0 HB THR A 65 -8.921 6.986 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.168 7.637 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.783 8.972 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.543 8.123 -9.051 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.264 7.936 -9.463 1.00 0.00 H new ATOM 933 N LEU A 66 -7.072 5.469 -7.528 1.00 0.00 N ATOM 934 CA LEU A 66 -5.930 4.796 -6.933 1.00 0.00 C ATOM 935 C LEU A 66 -5.090 5.776 -6.138 1.00 0.00 C ATOM 936 O LEU A 66 -4.800 6.879 -6.599 1.00 0.00 O ATOM 937 CB LEU A 66 -5.072 4.125 -8.016 1.00 0.00 C ATOM 938 CG LEU A 66 -4.435 5.071 -9.038 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.974 4.714 -9.254 1.00 0.00 C ATOM 940 CD2 LEU A 66 -5.194 5.027 -10.356 1.00 0.00 C ATOM 0 H LEU A 66 -6.931 6.459 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.304 4.026 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.278 3.560 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.692 3.406 -8.551 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.489 6.086 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.537 5.396 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.436 4.798 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.900 3.691 -9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.726 5.706 -11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.173 4.013 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.228 5.331 -10.191 1.00 0.00 H new ATOM 952 N ALA A 67 -4.721 5.378 -4.934 1.00 0.00 N ATOM 953 CA ALA A 67 -3.920 6.227 -4.065 1.00 0.00 C ATOM 954 C ALA A 67 -3.104 5.380 -3.106 1.00 0.00 C ATOM 955 O ALA A 67 -3.084 4.157 -3.216 1.00 0.00 O ATOM 956 CB ALA A 67 -4.815 7.191 -3.297 1.00 0.00 C ATOM 0 H ALA A 67 -4.963 4.472 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.234 6.808 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.202 7.820 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.363 7.818 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.521 6.626 -2.689 1.00 0.00 H new ATOM 962 N ASP A 68 -2.419 6.029 -2.182 1.00 0.00 N ATOM 963 CA ASP A 68 -1.688 5.329 -1.144 1.00 0.00 C ATOM 964 C ASP A 68 -1.430 6.251 0.036 1.00 0.00 C ATOM 965 O ASP A 68 -1.206 7.452 -0.140 1.00 0.00 O ATOM 966 CB ASP A 68 -0.367 4.764 -1.668 1.00 0.00 C ATOM 967 CG ASP A 68 0.019 3.488 -0.950 1.00 0.00 C ATOM 968 OD1 ASP A 68 -0.768 3.010 -0.108 1.00 0.00 O ATOM 969 OD2 ASP A 68 1.115 2.959 -1.226 1.00 0.00 O ATOM 0 H ASP A 68 -2.354 7.046 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.304 4.491 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.453 4.569 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.422 5.506 -1.542 1.00 0.00 H new ATOM 974 N ALA A 69 -1.469 5.680 1.229 1.00 0.00 N ATOM 975 CA ALA A 69 -1.301 6.433 2.461 1.00 0.00 C ATOM 976 C ALA A 69 -1.120 5.472 3.624 1.00 0.00 C ATOM 977 O ALA A 69 -0.823 4.286 3.369 1.00 0.00 O ATOM 978 CB ALA A 69 -2.498 7.346 2.704 1.00 0.00 C ATOM 979 OXT ALA A 69 -1.285 5.892 4.786 1.00 0.00 O ATOM 0 H ALA A 69 -1.618 4.681 1.370 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.413 7.060 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.351 7.900 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.596 8.046 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.404 6.745 2.780 1.00 0.00 H new TER 985 ALA A 69