USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 3 HIS : no HD1:sc= 0.431 K(o=2.5,f=-8.3!) USER MOD Set 1.2: A 34 SER OG : rot -149:sc= 0.601 USER MOD Set 1.3: A 41 GLN : amide:sc= 1.48 K(o=2.5,f=-6.4!) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 1.04 K(o=2.3,f=-8!) USER MOD Set 2.2: A 62 TYR OH : rot -158:sc= 1.25 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0239 USER MOD Set 3.2: 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+ -100:sc= 1.11 (180deg=-1.31) USER MOD Single : A 2 THR OG1 : rot -116:sc= 0.863 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.145 USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= 1.43 (180deg=-1.65!) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0.992) USER MOD Single : A 29 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.085) USER MOD Single : A 30 SER OG : rot 180:sc= -0.251 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0799) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 48 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.088 0.661 -2.327 1.00 0.00 N ATOM 2 CA MET A 1 3.400 -0.442 -1.621 1.00 0.00 C ATOM 3 C MET A 1 2.098 -0.818 -2.339 1.00 0.00 C ATOM 4 O MET A 1 2.136 -1.385 -3.427 1.00 0.00 O ATOM 5 CB MET A 1 3.121 -0.041 -0.171 1.00 0.00 C ATOM 6 CG MET A 1 3.701 -1.001 0.854 1.00 0.00 C ATOM 7 SD MET A 1 5.346 -1.591 0.410 1.00 0.00 S ATOM 8 CE MET A 1 6.345 -0.790 1.663 1.00 0.00 C ATOM 0 H1 MET A 1 4.855 0.273 -2.913 1.00 0.00 H new ATOM 0 H2 MET A 1 3.408 1.162 -2.934 1.00 0.00 H new ATOM 0 H3 MET A 1 4.485 1.324 -1.631 1.00 0.00 H new ATOM 0 HA MET A 1 4.050 -1.317 -1.624 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.529 0.954 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.043 0.026 -0.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.748 -0.505 1.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.032 -1.854 0.965 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.392 -1.059 1.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.234 0.291 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.018 -1.114 2.651 1.00 0.00 H new ATOM 20 N THR A 2 0.945 -0.472 -1.759 1.00 0.00 N ATOM 21 CA THR A 2 -0.331 -0.893 -2.329 1.00 0.00 C ATOM 22 C THR A 2 -1.491 -0.013 -1.845 1.00 0.00 C ATOM 23 O THR A 2 -2.635 -0.465 -1.719 1.00 0.00 O ATOM 24 CB THR A 2 -0.602 -2.383 -1.993 1.00 0.00 C ATOM 25 OG1 THR A 2 -1.587 -2.932 -2.871 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.032 -2.569 -0.539 1.00 0.00 C ATOM 0 H THR A 2 0.872 0.089 -0.910 1.00 0.00 H new ATOM 0 HA THR A 2 -0.265 -0.777 -3.411 1.00 0.00 H new ATOM 0 HB THR A 2 0.336 -2.919 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.381 -3.184 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.212 -3.626 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.245 -2.208 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.947 -2.006 -0.355 1.00 0.00 H new ATOM 34 N HIS A 3 -1.211 1.259 -1.610 1.00 0.00 N ATOM 35 CA HIS A 3 -2.225 2.163 -1.095 1.00 0.00 C ATOM 36 C HIS A 3 -2.374 3.369 -2.008 1.00 0.00 C ATOM 37 O HIS A 3 -1.391 4.024 -2.348 1.00 0.00 O ATOM 38 CB HIS A 3 -1.868 2.623 0.322 1.00 0.00 C ATOM 39 CG HIS A 3 -2.909 2.301 1.353 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.873 2.794 2.640 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.022 1.532 1.283 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.911 2.342 3.316 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.623 1.576 2.515 1.00 0.00 N ATOM 0 H HIS A 3 -0.298 1.686 -1.766 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.173 1.626 -1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.926 2.160 0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.704 3.701 0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.371 0.986 0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.138 2.562 4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.484 1.093 2.770 1.00 0.00 H new ATOM 52 N LEU A 4 -3.600 3.638 -2.425 1.00 0.00 N ATOM 53 CA LEU A 4 -3.893 4.816 -3.224 1.00 0.00 C ATOM 54 C LEU A 4 -4.905 5.685 -2.497 1.00 0.00 C ATOM 55 O LEU A 4 -5.709 5.188 -1.708 1.00 0.00 O ATOM 56 CB LEU A 4 -4.436 4.427 -4.605 1.00 0.00 C ATOM 57 CG LEU A 4 -3.562 3.468 -5.416 1.00 0.00 C ATOM 58 CD1 LEU A 4 -4.271 3.059 -6.696 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.223 4.105 -5.740 1.00 0.00 C ATOM 0 H LEU A 4 -4.411 3.054 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.967 5.373 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.418 3.972 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.582 5.337 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.384 2.577 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.636 2.377 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.209 2.561 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.477 3.945 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.618 3.406 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.383 5.012 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.705 4.355 -4.814 1.00 0.00 H new ATOM 71 N LYS A 5 -4.851 6.978 -2.742 1.00 0.00 N ATOM 72 CA LYS A 5 -5.822 7.896 -2.182 1.00 0.00 C ATOM 73 C LYS A 5 -6.693 8.442 -3.298 1.00 0.00 C ATOM 74 O LYS A 5 -6.187 8.997 -4.272 1.00 0.00 O ATOM 75 CB LYS A 5 -5.123 9.040 -1.446 1.00 0.00 C ATOM 76 CG LYS A 5 -6.010 9.738 -0.430 1.00 0.00 C ATOM 77 CD LYS A 5 -5.517 11.144 -0.134 1.00 0.00 C ATOM 78 CE LYS A 5 -6.028 12.140 -1.162 1.00 0.00 C ATOM 79 NZ LYS A 5 -6.325 13.464 -0.555 1.00 0.00 N ATOM 0 H LYS A 5 -4.142 7.419 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.443 7.363 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.241 8.650 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.774 9.771 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.032 9.781 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.034 9.158 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.846 11.445 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.427 11.155 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.285 12.261 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.929 11.746 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.671 14.113 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.053 13.354 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.459 13.853 -0.129 1.00 0.00 H new ATOM 93 N ILE A 6 -7.996 8.277 -3.164 1.00 0.00 N ATOM 94 CA ILE A 6 -8.910 8.701 -4.205 1.00 0.00 C ATOM 95 C ILE A 6 -9.340 10.150 -3.977 1.00 0.00 C ATOM 96 O ILE A 6 -10.001 10.475 -2.993 1.00 0.00 O ATOM 97 CB ILE A 6 -10.134 7.759 -4.310 1.00 0.00 C ATOM 98 CG1 ILE A 6 -11.172 8.336 -5.271 1.00 0.00 C ATOM 99 CG2 ILE A 6 -10.750 7.492 -2.942 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.855 7.290 -6.124 1.00 0.00 C ATOM 0 H ILE A 6 -8.442 7.855 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.384 8.645 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.789 6.804 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.927 8.874 -4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.687 9.064 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.607 6.827 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.009 7.024 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.076 8.433 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.578 7.772 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.111 6.768 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.369 6.575 -5.481 1.00 0.00 H new ATOM 112 N THR A 7 -8.940 11.012 -4.896 1.00 0.00 N ATOM 113 CA THR A 7 -9.154 12.443 -4.764 1.00 0.00 C ATOM 114 C THR A 7 -10.407 12.893 -5.512 1.00 0.00 C ATOM 115 O THR A 7 -10.949 13.963 -5.248 1.00 0.00 O ATOM 116 CB THR A 7 -7.936 13.211 -5.305 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.919 12.274 -5.697 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.381 14.162 -4.258 1.00 0.00 C ATOM 0 H THR A 7 -8.459 10.740 -5.753 1.00 0.00 H new ATOM 0 HA THR A 7 -9.289 12.660 -3.704 1.00 0.00 H new ATOM 0 HB THR A 7 -8.251 13.800 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.142 12.760 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.521 14.692 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.150 14.881 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.074 13.596 -3.379 1.00 0.00 H new ATOM 126 N GLY A 8 -10.861 12.063 -6.445 1.00 0.00 N ATOM 127 CA GLY A 8 -12.016 12.416 -7.247 1.00 0.00 C ATOM 128 C GLY A 8 -13.325 12.030 -6.587 1.00 0.00 C ATOM 129 O GLY A 8 -14.396 12.407 -7.060 1.00 0.00 O ATOM 0 H GLY A 8 -10.450 11.154 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.010 13.490 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.944 11.924 -8.217 1.00 0.00 H new ATOM 133 N MET A 9 -13.243 11.261 -5.511 1.00 0.00 N ATOM 134 CA MET A 9 -14.435 10.841 -4.785 1.00 0.00 C ATOM 135 C MET A 9 -14.829 11.887 -3.750 1.00 0.00 C ATOM 136 O MET A 9 -13.970 12.516 -3.130 1.00 0.00 O ATOM 137 CB MET A 9 -14.219 9.475 -4.113 1.00 0.00 C ATOM 138 CG MET A 9 -13.608 9.551 -2.724 1.00 0.00 C ATOM 139 SD MET A 9 -14.821 9.301 -1.415 1.00 0.00 S ATOM 140 CE MET A 9 -14.324 10.573 -0.256 1.00 0.00 C ATOM 0 H MET A 9 -12.366 10.915 -5.121 1.00 0.00 H new ATOM 0 HA MET A 9 -15.248 10.741 -5.504 1.00 0.00 H new ATOM 0 HB2 MET A 9 -15.177 8.960 -4.048 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.574 8.869 -4.748 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.824 8.799 -2.635 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.134 10.524 -2.593 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.980 10.549 0.614 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.296 10.396 0.060 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.393 11.549 -0.736 1.00 0.00 H new ATOM 150 N THR A 10 -16.125 12.079 -3.581 1.00 0.00 N ATOM 151 CA THR A 10 -16.631 12.956 -2.537 1.00 0.00 C ATOM 152 C THR A 10 -17.569 12.199 -1.606 1.00 0.00 C ATOM 153 O THR A 10 -18.040 12.741 -0.606 1.00 0.00 O ATOM 154 CB THR A 10 -17.376 14.164 -3.127 1.00 0.00 C ATOM 155 OG1 THR A 10 -17.336 14.120 -4.560 1.00 0.00 O ATOM 156 CG2 THR A 10 -16.757 15.461 -2.635 1.00 0.00 C ATOM 0 H THR A 10 -16.847 11.640 -4.152 1.00 0.00 H new ATOM 0 HA THR A 10 -15.769 13.316 -1.975 1.00 0.00 H new ATOM 0 HB THR A 10 -18.414 14.122 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.815 14.893 -4.925 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.296 16.307 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.818 15.504 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.712 15.505 -2.942 1.00 0.00 H new ATOM 164 N CYS A 11 -17.804 10.926 -1.928 1.00 0.00 N ATOM 165 CA CYS A 11 -18.758 10.097 -1.199 1.00 0.00 C ATOM 166 C CYS A 11 -18.872 8.711 -1.837 1.00 0.00 C ATOM 167 O CYS A 11 -18.107 8.365 -2.743 1.00 0.00 O ATOM 168 CB CYS A 11 -20.146 10.760 -1.147 1.00 0.00 C ATOM 169 SG CYS A 11 -20.705 11.480 -2.711 1.00 0.00 S ATOM 0 H CYS A 11 -17.340 10.445 -2.698 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.386 9.990 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.876 10.017 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.131 11.542 -0.388 1.00 0.00 H new ATOM 174 N ASP A 12 -19.862 7.955 -1.378 1.00 0.00 N ATOM 175 CA ASP A 12 -20.024 6.537 -1.711 1.00 0.00 C ATOM 176 C ASP A 12 -20.211 6.271 -3.204 1.00 0.00 C ATOM 177 O ASP A 12 -19.850 5.200 -3.687 1.00 0.00 O ATOM 178 CB ASP A 12 -21.219 5.961 -0.947 1.00 0.00 C ATOM 179 CG ASP A 12 -22.466 6.817 -1.085 1.00 0.00 C ATOM 180 OD1 ASP A 12 -22.572 7.840 -0.381 1.00 0.00 O ATOM 181 OD2 ASP A 12 -23.349 6.458 -1.894 1.00 0.00 O ATOM 0 H ASP A 12 -20.587 8.311 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.095 6.048 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.430 4.956 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.961 5.868 0.108 1.00 0.00 H new ATOM 186 N SER A 13 -20.782 7.222 -3.928 1.00 0.00 N ATOM 187 CA SER A 13 -21.079 7.029 -5.344 1.00 0.00 C ATOM 188 C SER A 13 -19.812 6.782 -6.166 1.00 0.00 C ATOM 189 O SER A 13 -19.692 5.767 -6.857 1.00 0.00 O ATOM 190 CB SER A 13 -21.835 8.245 -5.873 1.00 0.00 C ATOM 191 OG SER A 13 -22.183 9.117 -4.806 1.00 0.00 O ATOM 0 H SER A 13 -21.050 8.135 -3.561 1.00 0.00 H new ATOM 0 HA SER A 13 -21.701 6.139 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.219 8.776 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.736 7.922 -6.395 1.00 0.00 H new ATOM 0 HG SER A 13 -22.665 9.892 -5.161 1.00 0.00 H new ATOM 197 N CYS A 14 -18.862 7.701 -6.080 1.00 0.00 N ATOM 198 CA CYS A 14 -17.620 7.565 -6.822 1.00 0.00 C ATOM 199 C CYS A 14 -16.783 6.430 -6.247 1.00 0.00 C ATOM 200 O CYS A 14 -16.191 5.645 -6.990 1.00 0.00 O ATOM 201 CB CYS A 14 -16.838 8.875 -6.785 1.00 0.00 C ATOM 202 SG CYS A 14 -17.779 10.265 -6.116 1.00 0.00 S ATOM 0 H CYS A 14 -18.927 8.543 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.856 7.330 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.939 8.734 -6.185 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.512 9.122 -7.795 1.00 0.00 H new ATOM 207 N ALA A 15 -16.760 6.334 -4.920 1.00 0.00 N ATOM 208 CA ALA A 15 -16.021 5.280 -4.229 1.00 0.00 C ATOM 209 C ALA A 15 -16.759 3.939 -4.297 1.00 0.00 C ATOM 210 O ALA A 15 -16.879 3.225 -3.302 1.00 0.00 O ATOM 211 CB ALA A 15 -15.759 5.685 -2.789 1.00 0.00 C ATOM 0 H ALA A 15 -17.248 6.978 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.065 5.148 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.208 4.893 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.173 6.604 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.708 5.850 -2.279 1.00 0.00 H new ATOM 217 N ALA A 16 -17.235 3.607 -5.484 1.00 0.00 N ATOM 218 CA ALA A 16 -17.898 2.340 -5.739 1.00 0.00 C ATOM 219 C ALA A 16 -17.904 2.078 -7.231 1.00 0.00 C ATOM 220 O ALA A 16 -17.638 0.964 -7.680 1.00 0.00 O ATOM 221 CB ALA A 16 -19.318 2.352 -5.197 1.00 0.00 C ATOM 0 H ALA A 16 -17.172 4.212 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.356 1.544 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.793 1.392 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.295 2.525 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.885 3.147 -5.680 1.00 0.00 H new ATOM 227 N HIS A 17 -18.181 3.124 -8.002 1.00 0.00 N ATOM 228 CA HIS A 17 -18.028 3.053 -9.450 1.00 0.00 C ATOM 229 C HIS A 17 -16.559 2.833 -9.789 1.00 0.00 C ATOM 230 O HIS A 17 -16.222 2.155 -10.760 1.00 0.00 O ATOM 231 CB HIS A 17 -18.535 4.332 -10.119 1.00 0.00 C ATOM 232 CG HIS A 17 -18.601 4.246 -11.617 1.00 0.00 C ATOM 233 ND1 HIS A 17 -18.382 5.328 -12.442 1.00 0.00 N ATOM 234 CD2 HIS A 17 -18.849 3.196 -12.438 1.00 0.00 C ATOM 235 CE1 HIS A 17 -18.499 4.953 -13.700 1.00 0.00 C ATOM 236 NE2 HIS A 17 -18.781 3.663 -13.726 1.00 0.00 N ATOM 0 H HIS A 17 -18.510 4.024 -7.652 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.622 2.220 -9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.528 4.564 -9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.883 5.160 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.061 2.181 -12.135 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -18.384 5.592 -14.563 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -18.925 3.105 -14.567 1.00 0.00 H new ATOM 245 N VAL A 18 -15.694 3.411 -8.964 1.00 0.00 N ATOM 246 CA VAL A 18 -14.259 3.235 -9.109 1.00 0.00 C ATOM 247 C VAL A 18 -13.882 1.799 -8.776 1.00 0.00 C ATOM 248 O VAL A 18 -13.052 1.198 -9.447 1.00 0.00 O ATOM 249 CB VAL A 18 -13.476 4.222 -8.208 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.058 3.734 -7.939 1.00 0.00 C ATOM 251 CG2 VAL A 18 -13.453 5.601 -8.847 1.00 0.00 C ATOM 0 H VAL A 18 -15.967 4.009 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.990 3.448 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.988 4.281 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.540 4.453 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.095 2.767 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.523 3.633 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.901 6.289 -8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.968 5.542 -9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.474 5.962 -8.971 1.00 0.00 H new ATOM 261 N LYS A 19 -14.528 1.247 -7.750 1.00 0.00 N ATOM 262 CA LYS A 19 -14.326 -0.149 -7.384 1.00 0.00 C ATOM 263 C LYS A 19 -14.742 -1.046 -8.541 1.00 0.00 C ATOM 264 O LYS A 19 -14.033 -1.985 -8.898 1.00 0.00 O ATOM 265 CB LYS A 19 -15.133 -0.511 -6.132 1.00 0.00 C ATOM 266 CG LYS A 19 -15.351 -2.000 -5.965 1.00 0.00 C ATOM 267 CD LYS A 19 -16.332 -2.304 -4.850 1.00 0.00 C ATOM 268 CE LYS A 19 -15.728 -3.240 -3.818 1.00 0.00 C ATOM 269 NZ LYS A 19 -14.715 -4.158 -4.411 1.00 0.00 N ATOM 0 H LYS A 19 -15.194 1.746 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.269 -0.298 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.617 -0.126 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.101 -0.013 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.722 -2.420 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.398 -2.485 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.635 -1.375 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.232 -2.754 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.263 -2.653 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.521 -3.828 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.543 -4.952 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.067 -4.524 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.827 -3.640 -4.567 1.00 0.00 H new ATOM 283 N GLU A 20 -15.892 -0.733 -9.129 1.00 0.00 N ATOM 284 CA GLU A 20 -16.404 -1.494 -10.259 1.00 0.00 C ATOM 285 C GLU A 20 -15.424 -1.430 -11.423 1.00 0.00 C ATOM 286 O GLU A 20 -15.002 -2.462 -11.944 1.00 0.00 O ATOM 287 CB GLU A 20 -17.771 -0.959 -10.694 1.00 0.00 C ATOM 288 CG GLU A 20 -18.532 -1.913 -11.598 1.00 0.00 C ATOM 289 CD GLU A 20 -19.393 -1.193 -12.612 1.00 0.00 C ATOM 290 OE1 GLU A 20 -18.839 -0.543 -13.524 1.00 0.00 O ATOM 291 OE2 GLU A 20 -20.633 -1.280 -12.508 1.00 0.00 O ATOM 0 H GLU A 20 -16.487 0.044 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.520 -2.533 -9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.371 -0.753 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.633 -0.010 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.823 -2.556 -12.120 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.161 -2.561 -10.988 1.00 0.00 H new ATOM 298 N ALA A 21 -15.053 -0.214 -11.807 1.00 0.00 N ATOM 299 CA ALA A 21 -14.092 -0.005 -12.884 1.00 0.00 C ATOM 300 C ALA A 21 -12.768 -0.702 -12.581 1.00 0.00 C ATOM 301 O ALA A 21 -12.142 -1.279 -13.469 1.00 0.00 O ATOM 302 CB ALA A 21 -13.868 1.482 -13.110 1.00 0.00 C ATOM 0 H ALA A 21 -15.405 0.646 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.503 -0.442 -13.794 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.149 1.623 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.812 1.955 -13.379 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.482 1.935 -12.197 1.00 0.00 H new ATOM 308 N LEU A 22 -12.357 -0.656 -11.318 1.00 0.00 N ATOM 309 CA LEU A 22 -11.118 -1.288 -10.888 1.00 0.00 C ATOM 310 C LEU A 22 -11.198 -2.801 -11.037 1.00 0.00 C ATOM 311 O LEU A 22 -10.354 -3.408 -11.691 1.00 0.00 O ATOM 312 CB LEU A 22 -10.807 -0.922 -9.433 1.00 0.00 C ATOM 313 CG LEU A 22 -9.564 -0.050 -9.222 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.477 1.040 -10.281 1.00 0.00 C ATOM 315 CD2 LEU A 22 -9.576 0.565 -7.831 1.00 0.00 C ATOM 0 H LEU A 22 -12.868 -0.185 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.314 -0.920 -11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.669 -0.402 -9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.684 -1.843 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.684 -0.687 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.586 1.644 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.420 0.584 -11.269 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.362 1.674 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.687 1.181 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.466 1.183 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.584 -0.228 -7.083 1.00 0.00 H new ATOM 327 N GLU A 23 -12.220 -3.405 -10.439 1.00 0.00 N ATOM 328 CA GLU A 23 -12.410 -4.843 -10.499 1.00 0.00 C ATOM 329 C GLU A 23 -12.737 -5.304 -11.920 1.00 0.00 C ATOM 330 O GLU A 23 -12.656 -6.493 -12.230 1.00 0.00 O ATOM 331 CB GLU A 23 -13.511 -5.256 -9.526 1.00 0.00 C ATOM 332 CG GLU A 23 -12.979 -6.011 -8.321 1.00 0.00 C ATOM 333 CD GLU A 23 -13.547 -5.525 -7.001 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.731 -5.113 -6.975 1.00 0.00 O ATOM 335 OE2 GLU A 23 -12.820 -5.541 -5.984 1.00 0.00 O ATOM 0 H GLU A 23 -12.934 -2.911 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.478 -5.328 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.042 -4.367 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.236 -5.880 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.207 -7.071 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.893 -5.919 -8.296 1.00 0.00 H new ATOM 342 N LYS A 24 -13.100 -4.356 -12.781 1.00 0.00 N ATOM 343 CA LYS A 24 -13.305 -4.646 -14.196 1.00 0.00 C ATOM 344 C LYS A 24 -11.959 -4.850 -14.893 1.00 0.00 C ATOM 345 O LYS A 24 -11.877 -5.520 -15.923 1.00 0.00 O ATOM 346 CB LYS A 24 -14.072 -3.506 -14.871 1.00 0.00 C ATOM 347 CG LYS A 24 -15.476 -3.886 -15.315 1.00 0.00 C ATOM 348 CD LYS A 24 -16.505 -2.882 -14.824 1.00 0.00 C ATOM 349 CE LYS A 24 -17.379 -2.375 -15.958 1.00 0.00 C ATOM 350 NZ LYS A 24 -17.634 -0.914 -15.850 1.00 0.00 N ATOM 0 H LYS A 24 -13.258 -3.382 -12.523 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.892 -5.561 -14.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.135 -2.665 -14.181 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.507 -3.165 -15.738 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.512 -3.943 -16.403 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.723 -4.877 -14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.131 -3.345 -14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.997 -2.041 -14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.897 -2.590 -16.912 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.328 -2.911 -15.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.087 -0.575 -16.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.261 -0.730 -15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.733 -0.414 -15.711 1.00 0.00 H new ATOM 364 N VAL A 25 -10.911 -4.260 -14.328 1.00 0.00 N ATOM 365 CA VAL A 25 -9.557 -4.447 -14.833 1.00 0.00 C ATOM 366 C VAL A 25 -8.986 -5.757 -14.300 1.00 0.00 C ATOM 367 O VAL A 25 -8.944 -5.972 -13.086 1.00 0.00 O ATOM 368 CB VAL A 25 -8.621 -3.285 -14.422 1.00 0.00 C ATOM 369 CG1 VAL A 25 -7.243 -3.447 -15.045 1.00 0.00 C ATOM 370 CG2 VAL A 25 -9.220 -1.941 -14.812 1.00 0.00 C ATOM 0 H VAL A 25 -10.975 -3.646 -13.516 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.614 -4.470 -15.921 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.514 -3.315 -13.338 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.606 -2.617 -14.740 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.801 -4.386 -14.711 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.333 -3.455 -16.131 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.544 -1.141 -14.513 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.366 -1.907 -15.892 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.180 -1.811 -14.311 1.00 0.00 H new ATOM 380 N PRO A 26 -8.527 -6.648 -15.195 1.00 0.00 N ATOM 381 CA PRO A 26 -8.041 -7.974 -14.814 1.00 0.00 C ATOM 382 C PRO A 26 -6.637 -7.948 -14.210 1.00 0.00 C ATOM 383 O PRO A 26 -5.784 -8.778 -14.529 1.00 0.00 O ATOM 384 CB PRO A 26 -8.043 -8.763 -16.135 1.00 0.00 C ATOM 385 CG PRO A 26 -8.618 -7.846 -17.170 1.00 0.00 C ATOM 386 CD PRO A 26 -8.456 -6.451 -16.644 1.00 0.00 C ATOM 0 HA PRO A 26 -8.668 -8.414 -14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.033 -9.071 -16.406 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -8.640 -9.671 -16.045 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.101 -7.964 -18.122 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.669 -8.073 -17.348 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.506 -6.011 -16.948 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.244 -5.788 -17.002 1.00 0.00 H new ATOM 394 N GLY A 27 -6.414 -6.987 -13.338 1.00 0.00 N ATOM 395 CA GLY A 27 -5.209 -6.952 -12.539 1.00 0.00 C ATOM 396 C GLY A 27 -5.574 -6.816 -11.082 1.00 0.00 C ATOM 397 O GLY A 27 -4.723 -6.834 -10.198 1.00 0.00 O ATOM 0 H GLY A 27 -7.057 -6.215 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.629 -7.862 -12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.580 -6.116 -12.847 1.00 0.00 H new ATOM 401 N VAL A 28 -6.866 -6.664 -10.851 1.00 0.00 N ATOM 402 CA VAL A 28 -7.412 -6.501 -9.520 1.00 0.00 C ATOM 403 C VAL A 28 -7.921 -7.841 -8.985 1.00 0.00 C ATOM 404 O VAL A 28 -8.323 -8.712 -9.759 1.00 0.00 O ATOM 405 CB VAL A 28 -8.551 -5.459 -9.556 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.375 -5.465 -8.273 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.980 -4.072 -9.816 1.00 0.00 C ATOM 0 H VAL A 28 -7.569 -6.650 -11.590 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.629 -6.147 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.222 -5.732 -10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.164 -4.716 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.821 -6.450 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.730 -5.233 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.790 -3.343 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.281 -3.811 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.459 -4.067 -10.773 1.00 0.00 H new ATOM 417 N GLN A 29 -7.899 -8.005 -7.669 1.00 0.00 N ATOM 418 CA GLN A 29 -8.438 -9.201 -7.039 1.00 0.00 C ATOM 419 C GLN A 29 -9.340 -8.814 -5.872 1.00 0.00 C ATOM 420 O GLN A 29 -10.286 -9.526 -5.540 1.00 0.00 O ATOM 421 CB GLN A 29 -7.304 -10.106 -6.556 1.00 0.00 C ATOM 422 CG GLN A 29 -7.109 -11.346 -7.414 1.00 0.00 C ATOM 423 CD GLN A 29 -6.248 -12.395 -6.739 1.00 0.00 C ATOM 424 OE1 GLN A 29 -5.465 -13.086 -7.389 1.00 0.00 O ATOM 425 NE2 GLN A 29 -6.391 -12.530 -5.433 1.00 0.00 N ATOM 0 H GLN A 29 -7.513 -7.323 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.028 -9.749 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.376 -9.535 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.507 -10.412 -5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.082 -11.777 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.650 -11.060 -8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.051 -11.938 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.842 -13.226 -4.929 1.00 0.00 H new ATOM 434 N SER A 30 -9.024 -7.692 -5.235 1.00 0.00 N ATOM 435 CA SER A 30 -9.888 -7.102 -4.217 1.00 0.00 C ATOM 436 C SER A 30 -9.624 -5.601 -4.115 1.00 0.00 C ATOM 437 O SER A 30 -8.628 -5.177 -3.527 1.00 0.00 O ATOM 438 CB SER A 30 -9.665 -7.765 -2.849 1.00 0.00 C ATOM 439 OG SER A 30 -9.108 -9.066 -2.980 1.00 0.00 O ATOM 0 H SER A 30 -8.166 -7.167 -5.408 1.00 0.00 H new ATOM 0 HA SER A 30 -10.924 -7.269 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.001 -7.144 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.614 -7.827 -2.316 1.00 0.00 H new ATOM 0 HG SER A 30 -8.978 -9.457 -2.091 1.00 0.00 H new ATOM 445 N ALA A 31 -10.493 -4.799 -4.712 1.00 0.00 N ATOM 446 CA ALA A 31 -10.348 -3.351 -4.664 1.00 0.00 C ATOM 447 C ALA A 31 -11.308 -2.751 -3.646 1.00 0.00 C ATOM 448 O ALA A 31 -12.508 -2.648 -3.895 1.00 0.00 O ATOM 449 CB ALA A 31 -10.586 -2.750 -6.038 1.00 0.00 C ATOM 0 H ALA A 31 -11.305 -5.126 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.330 -3.116 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.474 -1.667 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.861 -3.156 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.594 -2.995 -6.373 1.00 0.00 H new ATOM 455 N LEU A 32 -10.776 -2.356 -2.503 1.00 0.00 N ATOM 456 CA LEU A 32 -11.594 -1.830 -1.427 1.00 0.00 C ATOM 457 C LEU A 32 -11.375 -0.332 -1.269 1.00 0.00 C ATOM 458 O LEU A 32 -10.454 0.109 -0.585 1.00 0.00 O ATOM 459 CB LEU A 32 -11.279 -2.551 -0.115 1.00 0.00 C ATOM 460 CG LEU A 32 -12.389 -3.465 0.409 1.00 0.00 C ATOM 461 CD1 LEU A 32 -12.201 -4.882 -0.112 1.00 0.00 C ATOM 462 CD2 LEU A 32 -12.415 -3.454 1.931 1.00 0.00 C ATOM 0 H LEU A 32 -9.778 -2.390 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.641 -2.002 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.376 -3.145 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.055 -1.804 0.647 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.346 -3.089 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.999 -5.519 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.232 -4.876 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.238 -5.268 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.210 -4.109 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.457 -3.806 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.596 -2.439 2.284 1.00 0.00 H new ATOM 474 N VAL A 33 -12.213 0.445 -1.925 1.00 0.00 N ATOM 475 CA VAL A 33 -12.167 1.893 -1.796 1.00 0.00 C ATOM 476 C VAL A 33 -13.139 2.355 -0.714 1.00 0.00 C ATOM 477 O VAL A 33 -14.354 2.194 -0.841 1.00 0.00 O ATOM 478 CB VAL A 33 -12.493 2.604 -3.127 1.00 0.00 C ATOM 479 CG1 VAL A 33 -11.263 2.667 -4.014 1.00 0.00 C ATOM 480 CG2 VAL A 33 -13.640 1.917 -3.858 1.00 0.00 C ATOM 0 H VAL A 33 -12.937 0.100 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.148 2.162 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.807 3.621 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.513 3.172 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.474 3.219 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.918 1.656 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.844 2.443 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.366 0.885 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.532 1.931 -3.231 1.00 0.00 H new ATOM 490 N SER A 34 -12.597 2.903 0.359 1.00 0.00 N ATOM 491 CA SER A 34 -13.402 3.330 1.494 1.00 0.00 C ATOM 492 C SER A 34 -13.776 4.807 1.376 1.00 0.00 C ATOM 493 O SER A 34 -12.901 5.678 1.368 1.00 0.00 O ATOM 494 CB SER A 34 -12.633 3.067 2.789 1.00 0.00 C ATOM 495 OG SER A 34 -11.924 1.837 2.707 1.00 0.00 O ATOM 0 H SER A 34 -11.596 3.064 0.470 1.00 0.00 H new ATOM 0 HA SER A 34 -14.329 2.757 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.936 3.883 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.325 3.039 3.631 1.00 0.00 H new ATOM 0 HG SER A 34 -11.859 1.437 3.599 1.00 0.00 H new ATOM 501 N TYR A 35 -15.079 5.078 1.288 1.00 0.00 N ATOM 502 CA TYR A 35 -15.577 6.439 1.072 1.00 0.00 C ATOM 503 C TYR A 35 -15.365 7.354 2.290 1.00 0.00 C ATOM 504 O TYR A 35 -14.837 8.456 2.135 1.00 0.00 O ATOM 505 CB TYR A 35 -17.066 6.462 0.664 1.00 0.00 C ATOM 506 CG TYR A 35 -17.775 5.118 0.641 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.479 4.176 -0.337 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.714 4.781 1.606 1.00 0.00 C ATOM 509 CE1 TYR A 35 -18.097 2.942 -0.350 1.00 0.00 C ATOM 510 CE2 TYR A 35 -19.339 3.548 1.597 1.00 0.00 C ATOM 511 CZ TYR A 35 -19.115 2.681 0.582 1.00 0.00 C ATOM 512 OH TYR A 35 -19.644 1.402 0.609 1.00 0.00 O ATOM 0 H TYR A 35 -15.811 4.372 1.363 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.982 6.829 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.599 7.119 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.143 6.907 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.753 4.414 -1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.961 5.495 2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.802 2.189 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.007 3.276 2.401 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.339 1.350 1.298 1.00 0.00 H new ATOM 522 N PRO A 36 -15.751 6.938 3.521 1.00 0.00 N ATOM 523 CA PRO A 36 -15.635 7.799 4.712 1.00 0.00 C ATOM 524 C PRO A 36 -14.182 8.021 5.143 1.00 0.00 C ATOM 525 O PRO A 36 -13.916 8.566 6.213 1.00 0.00 O ATOM 526 CB PRO A 36 -16.406 7.036 5.802 1.00 0.00 C ATOM 527 CG PRO A 36 -17.153 5.960 5.087 1.00 0.00 C ATOM 528 CD PRO A 36 -16.339 5.636 3.871 1.00 0.00 C ATOM 0 HA PRO A 36 -16.028 8.797 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.725 6.615 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.088 7.698 6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.276 5.082 5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -18.153 6.295 4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.574 4.890 4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.956 5.240 3.064 1.00 0.00 H new ATOM 536 N LYS A 37 -13.252 7.601 4.301 1.00 0.00 N ATOM 537 CA LYS A 37 -11.832 7.749 4.580 1.00 0.00 C ATOM 538 C LYS A 37 -11.099 8.277 3.350 1.00 0.00 C ATOM 539 O LYS A 37 -10.058 8.924 3.465 1.00 0.00 O ATOM 540 CB LYS A 37 -11.241 6.406 5.010 1.00 0.00 C ATOM 541 CG LYS A 37 -11.133 6.243 6.515 1.00 0.00 C ATOM 542 CD LYS A 37 -9.757 6.642 7.021 1.00 0.00 C ATOM 543 CE LYS A 37 -9.650 6.484 8.530 1.00 0.00 C ATOM 544 NZ LYS A 37 -9.713 5.058 8.950 1.00 0.00 N ATOM 0 H LYS A 37 -13.458 7.150 3.409 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.708 8.467 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.858 5.602 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.250 6.297 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.893 6.853 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.335 5.206 6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.998 6.029 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.554 7.677 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.713 6.922 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.456 7.039 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.502 4.986 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.666 4.684 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.015 4.506 8.411 1.00 0.00 H new ATOM 558 N GLY A 38 -11.651 7.998 2.174 1.00 0.00 N ATOM 559 CA GLY A 38 -11.042 8.450 0.939 1.00 0.00 C ATOM 560 C GLY A 38 -9.802 7.650 0.597 1.00 0.00 C ATOM 561 O GLY A 38 -8.914 8.131 -0.109 1.00 0.00 O ATOM 0 H GLY A 38 -12.512 7.465 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.764 8.367 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.781 9.505 1.027 1.00 0.00 H new ATOM 565 N THR A 39 -9.744 6.422 1.090 1.00 0.00 N ATOM 566 CA THR A 39 -8.569 5.590 0.907 1.00 0.00 C ATOM 567 C THR A 39 -8.895 4.342 0.097 1.00 0.00 C ATOM 568 O THR A 39 -9.955 3.736 0.261 1.00 0.00 O ATOM 569 CB THR A 39 -7.965 5.172 2.261 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.528 5.972 3.309 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.451 5.330 2.257 1.00 0.00 C ATOM 0 H THR A 39 -10.497 5.982 1.619 1.00 0.00 H new ATOM 0 HA THR A 39 -7.840 6.188 0.360 1.00 0.00 H new ATOM 0 HB THR A 39 -8.201 4.121 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.143 5.703 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.051 5.028 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.022 4.703 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.194 6.372 2.068 1.00 0.00 H new ATOM 579 N ALA A 40 -7.982 3.971 -0.781 1.00 0.00 N ATOM 580 CA ALA A 40 -8.141 2.786 -1.597 1.00 0.00 C ATOM 581 C ALA A 40 -7.191 1.695 -1.134 1.00 0.00 C ATOM 582 O ALA A 40 -5.969 1.831 -1.240 1.00 0.00 O ATOM 583 CB ALA A 40 -7.899 3.115 -3.063 1.00 0.00 C ATOM 0 H ALA A 40 -7.114 4.481 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.163 2.424 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.022 2.214 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.615 3.869 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.886 3.498 -3.188 1.00 0.00 H new ATOM 589 N GLN A 41 -7.756 0.629 -0.596 1.00 0.00 N ATOM 590 CA GLN A 41 -6.976 -0.536 -0.197 1.00 0.00 C ATOM 591 C GLN A 41 -7.083 -1.588 -1.292 1.00 0.00 C ATOM 592 O GLN A 41 -8.152 -2.158 -1.511 1.00 0.00 O ATOM 593 CB GLN A 41 -7.460 -1.107 1.148 1.00 0.00 C ATOM 594 CG GLN A 41 -8.617 -0.340 1.780 1.00 0.00 C ATOM 595 CD GLN A 41 -8.161 0.645 2.843 1.00 0.00 C ATOM 596 OE1 GLN A 41 -6.997 0.652 3.237 1.00 0.00 O ATOM 597 NE2 GLN A 41 -9.073 1.484 3.309 1.00 0.00 N ATOM 0 H GLN A 41 -8.758 0.543 -0.423 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.936 -0.239 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.765 -2.143 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.623 -1.118 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.158 0.198 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.317 -1.048 2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.029 1.446 2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.820 2.169 4.021 1.00 0.00 H new ATOM 606 N LEU A 42 -5.989 -1.836 -1.993 1.00 0.00 N ATOM 607 CA LEU A 42 -6.046 -2.672 -3.177 1.00 0.00 C ATOM 608 C LEU A 42 -5.264 -3.957 -2.992 1.00 0.00 C ATOM 609 O LEU A 42 -4.097 -3.938 -2.609 1.00 0.00 O ATOM 610 CB LEU A 42 -5.502 -1.915 -4.392 1.00 0.00 C ATOM 611 CG LEU A 42 -6.024 -0.489 -4.555 1.00 0.00 C ATOM 612 CD1 LEU A 42 -4.984 0.519 -4.096 1.00 0.00 C ATOM 613 CD2 LEU A 42 -6.417 -0.231 -5.999 1.00 0.00 C ATOM 0 H LEU A 42 -5.063 -1.475 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.092 -2.928 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.415 -1.881 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.747 -2.480 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.909 -0.373 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.376 1.528 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.750 0.348 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.079 0.405 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.787 0.789 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.548 -0.366 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.199 -0.931 -6.294 1.00 0.00 H new ATOM 625 N ALA A 43 -5.926 -5.070 -3.247 1.00 0.00 N ATOM 626 CA ALA A 43 -5.261 -6.350 -3.355 1.00 0.00 C ATOM 627 C ALA A 43 -5.110 -6.686 -4.830 1.00 0.00 C ATOM 628 O ALA A 43 -5.890 -7.454 -5.394 1.00 0.00 O ATOM 629 CB ALA A 43 -6.044 -7.432 -2.626 1.00 0.00 C ATOM 0 H ALA A 43 -6.936 -5.110 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.278 -6.297 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.524 -8.385 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.131 -7.170 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.039 -7.517 -3.062 1.00 0.00 H new ATOM 635 N ILE A 44 -4.132 -6.056 -5.460 1.00 0.00 N ATOM 636 CA ILE A 44 -3.918 -6.205 -6.891 1.00 0.00 C ATOM 637 C ILE A 44 -2.909 -7.303 -7.188 1.00 0.00 C ATOM 638 O ILE A 44 -2.149 -7.722 -6.311 1.00 0.00 O ATOM 639 CB ILE A 44 -3.428 -4.890 -7.542 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.560 -4.086 -6.569 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.612 -4.061 -8.016 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.094 -4.067 -6.946 1.00 0.00 C ATOM 0 H ILE A 44 -3.469 -5.432 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.885 -6.472 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.815 -5.145 -8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.930 -3.062 -6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.665 -4.506 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.251 -3.139 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.183 -4.629 -8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.251 -3.820 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.538 -3.480 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.709 -5.087 -6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.978 -3.620 -7.933 1.00 0.00 H new ATOM 654 N VAL A 45 -2.923 -7.759 -8.429 1.00 0.00 N ATOM 655 CA VAL A 45 -1.985 -8.752 -8.916 1.00 0.00 C ATOM 656 C VAL A 45 -0.609 -8.112 -9.099 1.00 0.00 C ATOM 657 O VAL A 45 -0.518 -6.961 -9.527 1.00 0.00 O ATOM 658 CB VAL A 45 -2.489 -9.338 -10.255 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.495 -10.306 -10.869 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.835 -10.016 -10.059 1.00 0.00 C ATOM 0 H VAL A 45 -3.593 -7.446 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.904 -9.561 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.602 -8.507 -10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.894 -10.691 -11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.554 -9.790 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.322 -11.134 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.179 -10.424 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.734 -10.823 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.559 -9.288 -9.694 1.00 0.00 H new ATOM 670 N PRO A 46 0.478 -8.834 -8.762 1.00 0.00 N ATOM 671 CA PRO A 46 1.854 -8.319 -8.874 1.00 0.00 C ATOM 672 C PRO A 46 2.192 -7.763 -10.261 1.00 0.00 C ATOM 673 O PRO A 46 3.143 -7.000 -10.414 1.00 0.00 O ATOM 674 CB PRO A 46 2.733 -9.540 -8.566 1.00 0.00 C ATOM 675 CG PRO A 46 1.815 -10.717 -8.609 1.00 0.00 C ATOM 676 CD PRO A 46 0.464 -10.200 -8.219 1.00 0.00 C ATOM 0 HA PRO A 46 2.006 -7.478 -8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.534 -9.641 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.205 -9.447 -7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.792 -11.158 -9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.147 -11.497 -7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.339 -10.799 -8.648 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.324 -10.206 -7.138 1.00 0.00 H new ATOM 684 N GLY A 47 1.414 -8.141 -11.267 1.00 0.00 N ATOM 685 CA GLY A 47 1.641 -7.640 -12.608 1.00 0.00 C ATOM 686 C GLY A 47 0.833 -6.390 -12.903 1.00 0.00 C ATOM 687 O GLY A 47 0.338 -6.212 -14.017 1.00 0.00 O ATOM 0 H GLY A 47 0.629 -8.786 -11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.701 -7.423 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.384 -8.414 -13.331 1.00 0.00 H new ATOM 691 N THR A 48 0.689 -5.528 -11.903 1.00 0.00 N ATOM 692 CA THR A 48 -0.057 -4.286 -12.057 1.00 0.00 C ATOM 693 C THR A 48 0.577 -3.171 -11.246 1.00 0.00 C ATOM 694 O THR A 48 0.801 -3.311 -10.044 1.00 0.00 O ATOM 695 CB THR A 48 -1.530 -4.446 -11.627 1.00 0.00 C ATOM 696 OG1 THR A 48 -1.879 -5.836 -11.564 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.455 -3.726 -12.592 1.00 0.00 C ATOM 0 H THR A 48 1.082 -5.668 -10.972 1.00 0.00 H new ATOM 0 HA THR A 48 -0.028 -4.031 -13.116 1.00 0.00 H new ATOM 0 HB THR A 48 -1.646 -4.002 -10.638 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.507 -6.230 -10.747 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.488 -3.853 -12.269 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.208 -2.665 -12.609 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.334 -4.143 -13.592 1.00 0.00 H new ATOM 705 N SER A 49 0.888 -2.075 -11.918 1.00 0.00 N ATOM 706 CA SER A 49 1.495 -0.929 -11.271 1.00 0.00 C ATOM 707 C SER A 49 0.437 -0.008 -10.663 1.00 0.00 C ATOM 708 O SER A 49 -0.618 0.213 -11.258 1.00 0.00 O ATOM 709 CB SER A 49 2.351 -0.167 -12.281 1.00 0.00 C ATOM 710 OG SER A 49 2.735 -1.019 -13.350 1.00 0.00 O ATOM 0 H SER A 49 0.728 -1.957 -12.918 1.00 0.00 H new ATOM 0 HA SER A 49 2.126 -1.285 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.793 0.685 -12.670 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.238 0.231 -11.788 1.00 0.00 H new ATOM 0 HG SER A 49 3.281 -0.516 -13.989 1.00 0.00 H new ATOM 716 N PRO A 50 0.699 0.537 -9.462 1.00 0.00 N ATOM 717 CA PRO A 50 -0.206 1.491 -8.802 1.00 0.00 C ATOM 718 C PRO A 50 -0.508 2.705 -9.665 1.00 0.00 C ATOM 719 O PRO A 50 -1.621 3.233 -9.648 1.00 0.00 O ATOM 720 CB PRO A 50 0.577 1.913 -7.558 1.00 0.00 C ATOM 721 CG PRO A 50 1.471 0.758 -7.278 1.00 0.00 C ATOM 722 CD PRO A 50 1.875 0.232 -8.626 1.00 0.00 C ATOM 0 HA PRO A 50 -1.178 1.045 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.148 2.824 -7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.088 2.114 -6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.342 1.066 -6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.956 -0.006 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.774 0.723 -8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.084 -0.837 -8.597 1.00 0.00 H new ATOM 730 N ASP A 51 0.488 3.136 -10.421 1.00 0.00 N ATOM 731 CA ASP A 51 0.335 4.269 -11.319 1.00 0.00 C ATOM 732 C ASP A 51 -0.667 3.939 -12.420 1.00 0.00 C ATOM 733 O ASP A 51 -1.308 4.829 -12.973 1.00 0.00 O ATOM 734 CB ASP A 51 1.703 4.666 -11.901 1.00 0.00 C ATOM 735 CG ASP A 51 1.730 4.722 -13.418 1.00 0.00 C ATOM 736 OD1 ASP A 51 1.903 3.660 -14.055 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.553 5.822 -13.977 1.00 0.00 O ATOM 0 H ASP A 51 1.417 2.715 -10.430 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.054 5.121 -10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.987 5.641 -11.506 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.454 3.953 -11.560 1.00 0.00 H new ATOM 742 N ALA A 52 -0.832 2.647 -12.695 1.00 0.00 N ATOM 743 CA ALA A 52 -1.745 2.203 -13.742 1.00 0.00 C ATOM 744 C ALA A 52 -3.182 2.283 -13.252 1.00 0.00 C ATOM 745 O ALA A 52 -4.087 2.664 -13.989 1.00 0.00 O ATOM 746 CB ALA A 52 -1.407 0.790 -14.196 1.00 0.00 C ATOM 0 H ALA A 52 -0.347 1.893 -12.209 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.633 2.864 -14.601 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.102 0.483 -14.977 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.390 0.767 -14.586 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.487 0.107 -13.350 1.00 0.00 H new ATOM 752 N LEU A 53 -3.373 1.935 -11.988 1.00 0.00 N ATOM 753 CA LEU A 53 -4.686 1.993 -11.365 1.00 0.00 C ATOM 754 C LEU A 53 -5.073 3.446 -11.147 1.00 0.00 C ATOM 755 O LEU A 53 -6.203 3.853 -11.414 1.00 0.00 O ATOM 756 CB LEU A 53 -4.681 1.250 -10.035 1.00 0.00 C ATOM 757 CG LEU A 53 -4.558 -0.269 -10.143 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.404 -0.770 -9.292 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.862 -0.936 -9.733 1.00 0.00 C ATOM 0 H LEU A 53 -2.630 1.608 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.413 1.515 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.855 1.624 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.600 1.488 -9.500 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.353 -0.529 -11.181 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.331 -1.854 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.475 -0.314 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.577 -0.502 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.759 -2.018 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.098 -0.671 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.665 -0.597 -10.387 1.00 0.00 H new ATOM 771 N THR A 54 -4.105 4.222 -10.678 1.00 0.00 N ATOM 772 CA THR A 54 -4.272 5.656 -10.515 1.00 0.00 C ATOM 773 C THR A 54 -4.642 6.292 -11.853 1.00 0.00 C ATOM 774 O THR A 54 -5.531 7.138 -11.929 1.00 0.00 O ATOM 775 CB THR A 54 -2.975 6.297 -9.982 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.581 5.660 -8.760 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.146 7.789 -9.750 1.00 0.00 C ATOM 0 H THR A 54 -3.187 3.875 -10.402 1.00 0.00 H new ATOM 0 HA THR A 54 -5.072 5.829 -9.795 1.00 0.00 H new ATOM 0 HB THR A 54 -2.200 6.158 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.189 4.784 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.213 8.208 -9.374 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.410 8.275 -10.689 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.938 7.955 -9.020 1.00 0.00 H new ATOM 785 N ALA A 55 -3.962 5.853 -12.906 1.00 0.00 N ATOM 786 CA ALA A 55 -4.223 6.340 -14.255 1.00 0.00 C ATOM 787 C ALA A 55 -5.609 5.924 -14.727 1.00 0.00 C ATOM 788 O ALA A 55 -6.297 6.688 -15.398 1.00 0.00 O ATOM 789 CB ALA A 55 -3.163 5.835 -15.219 1.00 0.00 C ATOM 0 H ALA A 55 -3.220 5.155 -12.850 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.184 7.429 -14.233 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.375 6.209 -16.221 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.183 6.188 -14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.170 4.745 -15.229 1.00 0.00 H new ATOM 795 N ALA A 56 -6.011 4.708 -14.370 1.00 0.00 N ATOM 796 CA ALA A 56 -7.335 4.208 -14.719 1.00 0.00 C ATOM 797 C ALA A 56 -8.417 5.044 -14.042 1.00 0.00 C ATOM 798 O ALA A 56 -9.420 5.390 -14.656 1.00 0.00 O ATOM 799 CB ALA A 56 -7.471 2.743 -14.332 1.00 0.00 C ATOM 0 H ALA A 56 -5.439 4.051 -13.839 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.461 4.291 -15.798 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.466 2.387 -14.600 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.720 2.156 -14.861 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.324 2.635 -13.257 1.00 0.00 H new ATOM 805 N VAL A 57 -8.187 5.383 -12.780 1.00 0.00 N ATOM 806 CA VAL A 57 -9.119 6.203 -12.018 1.00 0.00 C ATOM 807 C VAL A 57 -9.098 7.638 -12.528 1.00 0.00 C ATOM 808 O VAL A 57 -10.147 8.267 -12.686 1.00 0.00 O ATOM 809 CB VAL A 57 -8.784 6.185 -10.507 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.674 7.146 -9.731 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.911 4.777 -9.952 1.00 0.00 C ATOM 0 H VAL A 57 -7.357 5.100 -12.260 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.115 5.782 -12.153 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.752 6.516 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.413 7.110 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.529 8.159 -10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.718 6.858 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.672 4.782 -8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.932 4.421 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.221 4.116 -10.476 1.00 0.00 H new ATOM 821 N ALA A 58 -7.899 8.148 -12.799 1.00 0.00 N ATOM 822 CA ALA A 58 -7.747 9.499 -13.324 1.00 0.00 C ATOM 823 C ALA A 58 -8.395 9.604 -14.699 1.00 0.00 C ATOM 824 O ALA A 58 -9.093 10.570 -15.004 1.00 0.00 O ATOM 825 CB ALA A 58 -6.276 9.877 -13.403 1.00 0.00 C ATOM 0 H ALA A 58 -7.021 7.646 -12.664 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.245 10.193 -12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.181 10.889 -13.797 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.835 9.833 -12.407 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.756 9.181 -14.061 1.00 0.00 H new ATOM 831 N GLY A 59 -8.169 8.584 -15.515 1.00 0.00 N ATOM 832 CA GLY A 59 -8.726 8.551 -16.851 1.00 0.00 C ATOM 833 C GLY A 59 -10.216 8.290 -16.853 1.00 0.00 C ATOM 834 O GLY A 59 -10.911 8.637 -17.809 1.00 0.00 O ATOM 0 H GLY A 59 -7.603 7.771 -15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.526 9.501 -17.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.224 7.776 -17.431 1.00 0.00 H new ATOM 838 N LEU A 60 -10.719 7.691 -15.774 1.00 0.00 N ATOM 839 CA LEU A 60 -12.150 7.411 -15.653 1.00 0.00 C ATOM 840 C LEU A 60 -12.936 8.687 -15.365 1.00 0.00 C ATOM 841 O LEU A 60 -14.163 8.669 -15.297 1.00 0.00 O ATOM 842 CB LEU A 60 -12.406 6.386 -14.550 1.00 0.00 C ATOM 843 CG LEU A 60 -13.033 5.067 -15.019 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.439 5.300 -15.556 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.163 4.401 -16.077 1.00 0.00 C ATOM 0 H LEU A 60 -10.160 7.391 -14.975 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.489 7.002 -16.604 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.461 6.165 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.060 6.835 -13.803 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.099 4.400 -14.160 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.865 4.352 -15.883 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.063 5.726 -14.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.397 5.989 -16.400 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.627 3.467 -16.395 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.060 5.066 -16.935 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.178 4.193 -15.660 1.00 0.00 H new ATOM 857 N GLY A 61 -12.223 9.793 -15.199 1.00 0.00 N ATOM 858 CA GLY A 61 -12.875 11.059 -14.939 1.00 0.00 C ATOM 859 C GLY A 61 -12.713 11.491 -13.502 1.00 0.00 C ATOM 860 O GLY A 61 -13.096 12.599 -13.124 1.00 0.00 O ATOM 0 H GLY A 61 -11.205 9.835 -15.240 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.460 11.823 -15.597 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.936 10.976 -15.176 1.00 0.00 H new ATOM 864 N TYR A 62 -12.144 10.613 -12.697 1.00 0.00 N ATOM 865 CA TYR A 62 -11.895 10.911 -11.302 1.00 0.00 C ATOM 866 C TYR A 62 -10.428 11.272 -11.109 1.00 0.00 C ATOM 867 O TYR A 62 -9.736 11.610 -12.068 1.00 0.00 O ATOM 868 CB TYR A 62 -12.270 9.711 -10.427 1.00 0.00 C ATOM 869 CG TYR A 62 -13.656 9.163 -10.692 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.780 9.769 -10.140 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.844 8.044 -11.493 1.00 0.00 C ATOM 872 CE1 TYR A 62 -16.049 9.275 -10.379 1.00 0.00 C ATOM 873 CE2 TYR A 62 -15.110 7.544 -11.736 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.201 8.145 -11.179 1.00 0.00 C ATOM 875 OH TYR A 62 -17.470 7.665 -11.418 1.00 0.00 O ATOM 0 H TYR A 62 -11.845 9.683 -12.989 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.511 11.759 -11.003 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.540 8.917 -10.586 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.200 10.003 -9.379 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.659 10.641 -9.514 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.987 7.556 -11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.913 9.760 -9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.235 6.677 -12.367 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.420 6.721 -11.675 1.00 0.00 H new ATOM 885 N LYS A 63 -9.952 11.199 -9.879 1.00 0.00 N ATOM 886 CA LYS A 63 -8.562 11.501 -9.586 1.00 0.00 C ATOM 887 C LYS A 63 -8.068 10.627 -8.447 1.00 0.00 C ATOM 888 O LYS A 63 -8.840 10.267 -7.554 1.00 0.00 O ATOM 889 CB LYS A 63 -8.394 12.984 -9.230 1.00 0.00 C ATOM 890 CG LYS A 63 -7.843 13.826 -10.372 1.00 0.00 C ATOM 891 CD LYS A 63 -6.503 13.299 -10.865 1.00 0.00 C ATOM 892 CE LYS A 63 -6.365 13.445 -12.372 1.00 0.00 C ATOM 893 NZ LYS A 63 -5.354 14.468 -12.742 1.00 0.00 N ATOM 0 H LYS A 63 -10.508 10.933 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.967 11.293 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.360 13.388 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.727 13.070 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.557 13.833 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.728 14.858 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.695 13.839 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.400 12.249 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.084 12.485 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.330 13.718 -12.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.292 14.536 -13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.634 15.390 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.427 14.196 -12.356 1.00 0.00 H new ATOM 907 N ALA A 64 -6.795 10.272 -8.491 1.00 0.00 N ATOM 908 CA ALA A 64 -6.190 9.468 -7.440 1.00 0.00 C ATOM 909 C ALA A 64 -4.715 9.814 -7.280 1.00 0.00 C ATOM 910 O ALA A 64 -4.116 10.443 -8.154 1.00 0.00 O ATOM 911 CB ALA A 64 -6.361 7.984 -7.740 1.00 0.00 C ATOM 0 H ALA A 64 -6.158 10.528 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.697 9.692 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.903 7.397 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.423 7.745 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.880 7.747 -8.689 1.00 0.00 H new ATOM 917 N THR A 65 -4.147 9.421 -6.153 1.00 0.00 N ATOM 918 CA THR A 65 -2.735 9.625 -5.882 1.00 0.00 C ATOM 919 C THR A 65 -2.161 8.409 -5.161 1.00 0.00 C ATOM 920 O THR A 65 -2.824 7.829 -4.301 1.00 0.00 O ATOM 921 CB THR A 65 -2.517 10.882 -5.017 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.783 11.477 -4.681 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.647 11.896 -5.745 1.00 0.00 C ATOM 0 H THR A 65 -4.651 8.952 -5.401 1.00 0.00 H new ATOM 0 HA THR A 65 -2.224 9.762 -6.835 1.00 0.00 H new ATOM 0 HB THR A 65 -2.007 10.582 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.634 12.274 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.507 12.774 -5.115 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.677 11.451 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.132 12.191 -6.675 1.00 0.00 H new ATOM 931 N LEU A 66 -0.947 8.006 -5.519 1.00 0.00 N ATOM 932 CA LEU A 66 -0.310 6.861 -4.878 1.00 0.00 C ATOM 933 C LEU A 66 0.192 7.236 -3.481 1.00 0.00 C ATOM 934 O LEU A 66 1.352 7.604 -3.287 1.00 0.00 O ATOM 935 CB LEU A 66 0.828 6.314 -5.759 1.00 0.00 C ATOM 936 CG LEU A 66 1.851 5.413 -5.054 1.00 0.00 C ATOM 937 CD1 LEU A 66 1.296 4.012 -4.858 1.00 0.00 C ATOM 938 CD2 LEU A 66 3.151 5.364 -5.845 1.00 0.00 C ATOM 0 H LEU A 66 -0.387 8.452 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.050 6.069 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.386 5.753 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.359 7.159 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 66 2.057 5.837 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.040 3.393 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.393 4.060 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.056 3.577 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.865 4.721 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.956 4.967 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.563 6.369 -5.930 1.00 0.00 H new ATOM 950 N ALA A 67 -0.713 7.169 -2.516 1.00 0.00 N ATOM 951 CA ALA A 67 -0.386 7.431 -1.125 1.00 0.00 C ATOM 952 C ALA A 67 -0.122 6.115 -0.411 1.00 0.00 C ATOM 953 O ALA A 67 -0.881 5.703 0.471 1.00 0.00 O ATOM 954 CB ALA A 67 -1.514 8.199 -0.448 1.00 0.00 C ATOM 0 H ALA A 67 -1.692 6.932 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 67 0.513 8.046 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.252 8.387 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.667 9.149 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.431 7.612 -0.491 1.00 0.00 H new ATOM 960 N ASP A 68 0.954 5.456 -0.807 1.00 0.00 N ATOM 961 CA ASP A 68 1.253 4.111 -0.335 1.00 0.00 C ATOM 962 C ASP A 68 1.923 4.126 1.037 1.00 0.00 C ATOM 963 O ASP A 68 1.973 5.164 1.701 1.00 0.00 O ATOM 964 CB ASP A 68 2.137 3.384 -1.352 1.00 0.00 C ATOM 965 CG ASP A 68 3.578 3.851 -1.319 1.00 0.00 C ATOM 966 OD1 ASP A 68 3.823 5.063 -1.470 1.00 0.00 O ATOM 967 OD2 ASP A 68 4.471 2.996 -1.152 1.00 0.00 O ATOM 0 H ASP A 68 1.641 5.833 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 68 0.309 3.577 -0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.103 2.312 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.733 3.538 -2.353 1.00 0.00 H new ATOM 972 N ALA A 69 2.425 2.956 1.441 1.00 0.00 N ATOM 973 CA ALA A 69 3.034 2.754 2.752 1.00 0.00 C ATOM 974 C ALA A 69 1.967 2.809 3.835 1.00 0.00 C ATOM 975 O ALA A 69 2.284 3.191 4.978 1.00 0.00 O ATOM 976 CB ALA A 69 4.146 3.763 3.019 1.00 0.00 C ATOM 977 OXT ALA A 69 0.804 2.459 3.532 1.00 0.00 O ATOM 0 H ALA A 69 2.419 2.117 0.860 1.00 0.00 H new ATOM 0 HA ALA A 69 3.494 1.766 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.574 3.580 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.922 3.658 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.737 4.773 2.983 1.00 0.00 H new TER 983 ALA A 69 HETATM 984 HG HG A 70 -19.256 10.874 -4.427 1.00 0.00 HG2+