USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 446 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD Set 1.1: A 2 HIS : no HD1:sc= 0 X(o=-0.039,f=-0.43) USER MOD Set 1.2: A 3 MET CE :methyl 164:sc= -0.039 (180deg=-0.363) USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.00583 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -84:sc= 0.0875 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -29:sc= 0.093 USER MOD Single : A 24 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.912 (180deg=0.876) USER MOD Single : A 30 SER OG : rot -74:sc= 0.414! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 37 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.87) USER MOD Single : A 38 HIS : no HE2:sc= -0.324 K(o=-0.32,f=-2.2) USER MOD Single : A 40 MET CE :methyl 165:sc= 0 (180deg=-0.246) USER MOD Single : A 41 ASN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 89:sc= 1.38 USER MOD Single : A 51 THR OG1 : rot -45:sc= 0.291 USER MOD Single : A 54 SER OG : rot -108:sc= 0.295 USER MOD Single : A 60 LYS NZ :NH3+ 174:sc=-0.00372 (180deg=-0.0326) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.532 -0.178 2.608 1.00 0.00 N ATOM 2 CA SER A 1 11.400 -0.655 1.787 1.00 0.00 C ATOM 3 C SER A 1 10.215 -1.044 2.687 1.00 0.00 C ATOM 4 O SER A 1 10.402 -1.715 3.708 1.00 0.00 O ATOM 5 CB SER A 1 11.841 -1.861 0.917 1.00 0.00 C ATOM 6 OG SER A 1 12.948 -1.520 0.101 1.00 0.00 O ATOM 0 H1 SER A 1 13.428 -0.426 2.142 1.00 0.00 H new ATOM 0 H2 SER A 1 12.472 0.855 2.715 1.00 0.00 H new ATOM 0 H3 SER A 1 12.494 -0.626 3.546 1.00 0.00 H new ATOM 0 HA SER A 1 11.081 0.151 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.104 -2.701 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.010 -2.186 0.291 1.00 0.00 H new ATOM 0 HG SER A 1 13.209 -2.296 -0.437 1.00 0.00 H new ATOM 14 N HIS A 2 9.007 -0.592 2.308 1.00 0.00 N ATOM 15 CA HIS A 2 7.746 -0.987 2.952 1.00 0.00 C ATOM 16 C HIS A 2 7.462 -2.479 2.697 1.00 0.00 C ATOM 17 O HIS A 2 7.359 -3.265 3.638 1.00 0.00 O ATOM 18 CB HIS A 2 6.585 -0.108 2.419 1.00 0.00 C ATOM 19 CG HIS A 2 5.210 -0.499 2.919 1.00 0.00 C ATOM 20 ND1 HIS A 2 4.344 -1.238 2.142 1.00 0.00 N ATOM 21 CD2 HIS A 2 4.615 -0.243 4.110 1.00 0.00 C ATOM 22 CE1 HIS A 2 3.254 -1.411 2.872 1.00 0.00 C ATOM 23 NE2 HIS A 2 3.374 -0.819 4.066 1.00 0.00 N ATOM 0 H HIS A 2 8.879 0.065 1.538 1.00 0.00 H new ATOM 0 HA HIS A 2 7.832 -0.836 4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.776 0.929 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.586 -0.151 1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.039 0.310 4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.382 -1.958 2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 2 2.672 -0.800 4.805 1.00 0.00 H new ATOM 31 N MET A 3 7.356 -2.847 1.410 1.00 0.00 N ATOM 32 CA MET A 3 7.123 -4.239 0.977 1.00 0.00 C ATOM 33 C MET A 3 8.251 -4.680 0.019 1.00 0.00 C ATOM 34 O MET A 3 8.770 -3.849 -0.742 1.00 0.00 O ATOM 35 CB MET A 3 5.724 -4.376 0.291 1.00 0.00 C ATOM 36 CG MET A 3 5.578 -3.647 -1.057 1.00 0.00 C ATOM 37 SD MET A 3 3.927 -3.808 -1.784 1.00 0.00 S ATOM 38 CE MET A 3 2.904 -2.955 -0.581 1.00 0.00 C ATOM 0 H MET A 3 7.429 -2.187 0.636 1.00 0.00 H new ATOM 0 HA MET A 3 7.130 -4.890 1.851 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.515 -5.435 0.137 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.964 -3.997 0.974 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.804 -2.590 -0.917 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.315 -4.041 -1.757 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.934 -2.729 -1.024 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.764 -3.590 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.391 -2.027 -0.281 1.00 0.00 H new ATOM 48 N PRO A 4 8.697 -5.976 0.078 1.00 0.00 N ATOM 49 CA PRO A 4 9.641 -6.537 -0.905 1.00 0.00 C ATOM 50 C PRO A 4 8.912 -6.987 -2.199 1.00 0.00 C ATOM 51 O PRO A 4 7.903 -7.712 -2.148 1.00 0.00 O ATOM 52 CB PRO A 4 10.262 -7.733 -0.137 1.00 0.00 C ATOM 53 CG PRO A 4 9.163 -8.213 0.767 1.00 0.00 C ATOM 54 CD PRO A 4 8.347 -6.978 1.132 1.00 0.00 C ATOM 0 HA PRO A 4 10.387 -5.822 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.585 -8.518 -0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.139 -7.426 0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.543 -8.956 0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.571 -8.688 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.279 -7.194 1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.602 -6.613 2.127 1.00 0.00 H new ATOM 62 N THR A 5 9.414 -6.520 -3.349 1.00 0.00 N ATOM 63 CA THR A 5 8.942 -6.958 -4.672 1.00 0.00 C ATOM 64 C THR A 5 9.563 -8.332 -5.008 1.00 0.00 C ATOM 65 O THR A 5 10.643 -8.666 -4.502 1.00 0.00 O ATOM 66 CB THR A 5 9.329 -5.908 -5.766 1.00 0.00 C ATOM 67 OG1 THR A 5 10.750 -5.679 -5.742 1.00 0.00 O ATOM 68 CG2 THR A 5 8.591 -4.571 -5.561 1.00 0.00 C ATOM 0 H THR A 5 10.161 -5.826 -3.390 1.00 0.00 H new ATOM 0 HA THR A 5 7.856 -7.047 -4.653 1.00 0.00 H new ATOM 0 HB THR A 5 9.032 -6.313 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.987 -5.022 -6.430 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.887 -3.869 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.515 -4.738 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.848 -4.159 -4.585 1.00 0.00 H new ATOM 76 N SER A 6 8.872 -9.122 -5.839 1.00 0.00 N ATOM 77 CA SER A 6 9.335 -10.457 -6.253 1.00 0.00 C ATOM 78 C SER A 6 8.641 -10.817 -7.568 1.00 0.00 C ATOM 79 O SER A 6 7.409 -10.901 -7.600 1.00 0.00 O ATOM 80 CB SER A 6 9.029 -11.501 -5.147 1.00 0.00 C ATOM 81 OG SER A 6 9.608 -12.768 -5.426 1.00 0.00 O ATOM 0 H SER A 6 7.975 -8.856 -6.245 1.00 0.00 H new ATOM 0 HA SER A 6 10.415 -10.455 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.404 -11.135 -4.191 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.950 -11.612 -5.044 1.00 0.00 H new ATOM 0 HG SER A 6 9.018 -13.273 -6.024 1.00 0.00 H new ATOM 87 N GLU A 7 9.456 -11.016 -8.631 1.00 0.00 N ATOM 88 CA GLU A 7 9.004 -11.221 -10.032 1.00 0.00 C ATOM 89 C GLU A 7 8.400 -9.926 -10.629 1.00 0.00 C ATOM 90 O GLU A 7 8.346 -8.875 -9.975 1.00 0.00 O ATOM 91 CB GLU A 7 8.002 -12.420 -10.194 1.00 0.00 C ATOM 92 CG GLU A 7 8.584 -13.838 -9.991 1.00 0.00 C ATOM 93 CD GLU A 7 8.999 -14.139 -8.543 1.00 0.00 C ATOM 94 OE1 GLU A 7 8.114 -14.426 -7.703 1.00 0.00 O ATOM 95 OE2 GLU A 7 10.209 -14.079 -8.225 1.00 0.00 O ATOM 0 H GLU A 7 10.471 -11.039 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 7 9.900 -11.482 -10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.186 -12.281 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.568 -12.369 -11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.843 -14.573 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.451 -13.961 -10.640 1.00 0.00 H new ATOM 102 N GLU A 8 8.006 -10.013 -11.913 1.00 0.00 N ATOM 103 CA GLU A 8 7.264 -8.960 -12.640 1.00 0.00 C ATOM 104 C GLU A 8 6.032 -9.578 -13.318 1.00 0.00 C ATOM 105 O GLU A 8 5.879 -10.811 -13.309 1.00 0.00 O ATOM 106 CB GLU A 8 8.197 -8.229 -13.643 1.00 0.00 C ATOM 107 CG GLU A 8 9.315 -7.410 -12.953 1.00 0.00 C ATOM 108 CD GLU A 8 10.249 -6.690 -13.934 1.00 0.00 C ATOM 109 OE1 GLU A 8 9.910 -5.571 -14.383 1.00 0.00 O ATOM 110 OE2 GLU A 8 11.328 -7.235 -14.258 1.00 0.00 O ATOM 0 H GLU A 8 8.197 -10.833 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 8 6.911 -8.203 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.652 -8.964 -14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.599 -7.563 -14.265 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.858 -6.673 -12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.906 -8.077 -12.325 1.00 0.00 H new ATOM 117 N ASP A 9 5.172 -8.716 -13.912 1.00 0.00 N ATOM 118 CA ASP A 9 3.763 -9.063 -14.234 1.00 0.00 C ATOM 119 C ASP A 9 3.064 -9.491 -12.939 1.00 0.00 C ATOM 120 O ASP A 9 2.521 -10.598 -12.822 1.00 0.00 O ATOM 121 CB ASP A 9 3.627 -10.142 -15.353 1.00 0.00 C ATOM 122 CG ASP A 9 4.029 -9.613 -16.732 1.00 0.00 C ATOM 123 OD1 ASP A 9 3.229 -8.875 -17.346 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.151 -9.893 -17.199 1.00 0.00 O ATOM 0 H ASP A 9 5.431 -7.767 -14.181 1.00 0.00 H new ATOM 0 HA ASP A 9 3.278 -8.179 -14.647 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.249 -11.001 -15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.596 -10.495 -15.389 1.00 0.00 H new ATOM 129 N LEU A 10 3.129 -8.584 -11.954 1.00 0.00 N ATOM 130 CA LEU A 10 2.689 -8.840 -10.580 1.00 0.00 C ATOM 131 C LEU A 10 1.171 -8.970 -10.476 1.00 0.00 C ATOM 132 O LEU A 10 0.427 -8.284 -11.184 1.00 0.00 O ATOM 133 CB LEU A 10 3.205 -7.717 -9.643 1.00 0.00 C ATOM 134 CG LEU A 10 4.757 -7.651 -9.488 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.202 -6.402 -8.683 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.291 -8.961 -8.847 1.00 0.00 C ATOM 0 H LEU A 10 3.493 -7.642 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 10 3.113 -9.795 -10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.851 -6.758 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.762 -7.854 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 10 5.191 -7.555 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.289 -6.393 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.871 -5.500 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.760 -6.434 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.375 -8.901 -8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.841 -9.095 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.033 -9.808 -9.482 1.00 0.00 H new ATOM 148 N CYS A 11 0.736 -9.886 -9.603 1.00 0.00 N ATOM 149 CA CYS A 11 -0.658 -10.024 -9.195 1.00 0.00 C ATOM 150 C CYS A 11 -1.091 -8.729 -8.488 1.00 0.00 C ATOM 151 O CYS A 11 -0.576 -8.446 -7.408 1.00 0.00 O ATOM 152 CB CYS A 11 -0.803 -11.216 -8.236 1.00 0.00 C ATOM 153 SG CYS A 11 -2.490 -11.493 -7.623 1.00 0.00 S ATOM 0 H CYS A 11 1.356 -10.561 -9.156 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.287 -10.199 -10.068 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.463 -12.118 -8.745 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.142 -11.062 -7.383 1.00 0.00 H new ATOM 158 N PRO A 12 -2.035 -7.926 -9.078 1.00 0.00 N ATOM 159 CA PRO A 12 -2.391 -6.571 -8.555 1.00 0.00 C ATOM 160 C PRO A 12 -2.908 -6.578 -7.095 1.00 0.00 C ATOM 161 O PRO A 12 -2.879 -5.544 -6.426 1.00 0.00 O ATOM 162 CB PRO A 12 -3.469 -6.074 -9.560 1.00 0.00 C ATOM 163 CG PRO A 12 -3.995 -7.319 -10.214 1.00 0.00 C ATOM 164 CD PRO A 12 -2.822 -8.260 -10.299 1.00 0.00 C ATOM 0 HA PRO A 12 -1.520 -5.918 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.264 -5.531 -9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.039 -5.394 -10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.806 -7.755 -9.631 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.396 -7.102 -11.204 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.140 -9.302 -10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.243 -8.102 -11.209 1.00 0.00 H new ATOM 172 N ILE A 13 -3.373 -7.748 -6.623 1.00 0.00 N ATOM 173 CA ILE A 13 -3.827 -7.946 -5.240 1.00 0.00 C ATOM 174 C ILE A 13 -2.611 -8.175 -4.298 1.00 0.00 C ATOM 175 O ILE A 13 -2.481 -7.508 -3.271 1.00 0.00 O ATOM 176 CB ILE A 13 -4.834 -9.167 -5.122 1.00 0.00 C ATOM 177 CG1 ILE A 13 -6.151 -8.946 -5.965 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.189 -9.464 -3.641 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.021 -9.147 -7.469 1.00 0.00 C ATOM 0 H ILE A 13 -3.444 -8.588 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.355 -7.042 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.318 -10.032 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.916 -9.627 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.510 -7.933 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.880 -10.305 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.280 -9.710 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.656 -8.586 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.986 -8.969 -7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.286 -8.448 -7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.699 -10.168 -7.673 1.00 0.00 H new ATOM 191 N CYS A 14 -1.712 -9.103 -4.693 1.00 0.00 N ATOM 192 CA CYS A 14 -0.616 -9.595 -3.823 1.00 0.00 C ATOM 193 C CYS A 14 0.577 -8.624 -3.774 1.00 0.00 C ATOM 194 O CYS A 14 1.091 -8.343 -2.692 1.00 0.00 O ATOM 195 CB CYS A 14 -0.135 -10.992 -4.296 1.00 0.00 C ATOM 196 SG CYS A 14 -1.330 -12.339 -4.016 1.00 0.00 S ATOM 0 H CYS A 14 -1.723 -9.531 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.022 -9.668 -2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.094 -10.942 -5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.795 -11.235 -3.781 1.00 0.00 H new ATOM 201 N TYR A 15 1.012 -8.161 -4.969 1.00 0.00 N ATOM 202 CA TYR A 15 2.217 -7.303 -5.196 1.00 0.00 C ATOM 203 C TYR A 15 3.553 -8.083 -5.073 1.00 0.00 C ATOM 204 O TYR A 15 4.485 -7.825 -5.827 1.00 0.00 O ATOM 205 CB TYR A 15 2.257 -6.032 -4.289 1.00 0.00 C ATOM 206 CG TYR A 15 1.040 -5.102 -4.436 1.00 0.00 C ATOM 207 CD1 TYR A 15 0.869 -4.308 -5.574 1.00 0.00 C ATOM 208 CD2 TYR A 15 0.063 -5.017 -3.437 1.00 0.00 C ATOM 209 CE1 TYR A 15 -0.221 -3.469 -5.703 1.00 0.00 C ATOM 210 CE2 TYR A 15 -1.026 -4.181 -3.567 1.00 0.00 C ATOM 211 CZ TYR A 15 -1.166 -3.411 -4.700 1.00 0.00 C ATOM 212 OH TYR A 15 -2.253 -2.575 -4.831 1.00 0.00 O ATOM 0 H TYR A 15 0.522 -8.377 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 15 2.114 -6.969 -6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.334 -6.347 -3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.160 -5.466 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.602 -4.351 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.164 -5.619 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.333 -2.860 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.767 -4.130 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.824 -2.654 -4.038 1.00 0.00 H new ATOM 222 N ALA A 16 3.640 -9.031 -4.120 1.00 0.00 N ATOM 223 CA ALA A 16 4.884 -9.779 -3.828 1.00 0.00 C ATOM 224 C ALA A 16 5.003 -11.088 -4.639 1.00 0.00 C ATOM 225 O ALA A 16 5.973 -11.827 -4.462 1.00 0.00 O ATOM 226 CB ALA A 16 4.954 -10.069 -2.320 1.00 0.00 C ATOM 0 H ALA A 16 2.853 -9.301 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 16 5.726 -9.156 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.868 -10.620 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.953 -9.129 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.090 -10.664 -2.023 1.00 0.00 H new ATOM 232 N HIS A 17 4.011 -11.397 -5.499 1.00 0.00 N ATOM 233 CA HIS A 17 4.018 -12.602 -6.375 1.00 0.00 C ATOM 234 C HIS A 17 3.302 -12.257 -7.705 1.00 0.00 C ATOM 235 O HIS A 17 2.412 -11.393 -7.704 1.00 0.00 O ATOM 236 CB HIS A 17 3.321 -13.823 -5.676 1.00 0.00 C ATOM 237 CG HIS A 17 4.023 -14.371 -4.451 1.00 0.00 C ATOM 238 ND1 HIS A 17 4.991 -15.352 -4.518 1.00 0.00 N ATOM 239 CD2 HIS A 17 3.893 -14.075 -3.129 1.00 0.00 C ATOM 240 CE1 HIS A 17 5.420 -15.633 -3.305 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.775 -14.870 -2.450 1.00 0.00 N ATOM 0 H HIS A 17 3.177 -10.820 -5.611 1.00 0.00 H new ATOM 0 HA HIS A 17 5.050 -12.890 -6.573 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.312 -13.526 -5.391 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.223 -14.627 -6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.220 -13.349 -2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.173 -16.365 -3.055 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.911 -14.871 -1.439 1.00 0.00 H new ATOM 250 N PRO A 18 3.667 -12.922 -8.855 1.00 0.00 N ATOM 251 CA PRO A 18 3.108 -12.609 -10.198 1.00 0.00 C ATOM 252 C PRO A 18 1.683 -13.170 -10.442 1.00 0.00 C ATOM 253 O PRO A 18 0.999 -13.624 -9.514 1.00 0.00 O ATOM 254 CB PRO A 18 4.146 -13.252 -11.152 1.00 0.00 C ATOM 255 CG PRO A 18 4.621 -14.452 -10.402 1.00 0.00 C ATOM 256 CD PRO A 18 4.689 -14.014 -8.951 1.00 0.00 C ATOM 0 HA PRO A 18 2.970 -11.537 -10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.696 -13.528 -12.106 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.965 -12.567 -11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.937 -15.291 -10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.597 -14.779 -10.761 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.459 -14.837 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.684 -13.654 -8.689 1.00 0.00 H new ATOM 264 N ILE A 19 1.243 -13.088 -11.712 1.00 0.00 N ATOM 265 CA ILE A 19 -0.066 -13.598 -12.186 1.00 0.00 C ATOM 266 C ILE A 19 0.033 -15.109 -12.561 1.00 0.00 C ATOM 267 O ILE A 19 1.120 -15.607 -12.884 1.00 0.00 O ATOM 268 CB ILE A 19 -0.539 -12.744 -13.437 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.675 -11.223 -13.058 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.866 -13.273 -14.043 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.955 -10.285 -14.227 1.00 0.00 C ATOM 0 H ILE A 19 1.795 -12.658 -12.454 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.799 -13.500 -11.385 1.00 0.00 H new ATOM 0 HB ILE A 19 0.231 -12.849 -14.201 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.477 -11.117 -12.328 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.245 -10.903 -12.569 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.148 -12.656 -14.896 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.731 -14.304 -14.370 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.652 -13.231 -13.289 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.031 -9.261 -13.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.143 -10.353 -14.950 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.892 -10.570 -14.706 1.00 0.00 H new ATOM 283 N SER A 20 -1.115 -15.821 -12.504 1.00 0.00 N ATOM 284 CA SER A 20 -1.223 -17.244 -12.874 1.00 0.00 C ATOM 285 C SER A 20 -2.554 -17.540 -13.613 1.00 0.00 C ATOM 286 O SER A 20 -2.714 -18.624 -14.191 1.00 0.00 O ATOM 287 CB SER A 20 -1.123 -18.106 -11.594 1.00 0.00 C ATOM 288 OG SER A 20 -1.151 -19.493 -11.877 1.00 0.00 O ATOM 0 H SER A 20 -1.999 -15.417 -12.196 1.00 0.00 H new ATOM 0 HA SER A 20 -0.408 -17.489 -13.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.200 -17.864 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.947 -17.857 -10.926 1.00 0.00 H new ATOM 0 HG SER A 20 -1.672 -19.650 -12.692 1.00 0.00 H new ATOM 294 N ALA A 21 -3.498 -16.570 -13.615 1.00 0.00 N ATOM 295 CA ALA A 21 -4.880 -16.788 -14.099 1.00 0.00 C ATOM 296 C ALA A 21 -5.486 -15.499 -14.683 1.00 0.00 C ATOM 297 O ALA A 21 -5.185 -14.394 -14.219 1.00 0.00 O ATOM 298 CB ALA A 21 -5.767 -17.331 -12.955 1.00 0.00 C ATOM 0 H ALA A 21 -3.324 -15.621 -13.284 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.841 -17.526 -14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.781 -17.487 -13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.361 -18.277 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.785 -16.612 -12.136 1.00 0.00 H new ATOM 304 N VAL A 22 -6.341 -15.662 -15.710 1.00 0.00 N ATOM 305 CA VAL A 22 -7.107 -14.565 -16.338 1.00 0.00 C ATOM 306 C VAL A 22 -8.617 -14.723 -16.032 1.00 0.00 C ATOM 307 O VAL A 22 -9.151 -15.847 -16.019 1.00 0.00 O ATOM 308 CB VAL A 22 -6.868 -14.518 -17.901 1.00 0.00 C ATOM 309 CG1 VAL A 22 -7.224 -15.860 -18.585 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.628 -13.329 -18.562 1.00 0.00 C ATOM 0 H VAL A 22 -6.523 -16.572 -16.134 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.754 -13.624 -15.916 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.801 -14.354 -18.051 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.044 -15.781 -19.657 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.604 -16.655 -18.171 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.275 -16.090 -18.409 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.440 -13.329 -19.636 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.698 -13.435 -18.381 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.279 -12.390 -18.132 1.00 0.00 H new ATOM 320 N PHE A 23 -9.288 -13.589 -15.781 1.00 0.00 N ATOM 321 CA PHE A 23 -10.739 -13.537 -15.534 1.00 0.00 C ATOM 322 C PHE A 23 -11.452 -13.153 -16.835 1.00 0.00 C ATOM 323 O PHE A 23 -11.526 -11.968 -17.188 1.00 0.00 O ATOM 324 CB PHE A 23 -11.066 -12.509 -14.410 1.00 0.00 C ATOM 325 CG PHE A 23 -10.275 -12.728 -13.122 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.155 -14.003 -12.574 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.650 -11.665 -12.465 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.440 -14.212 -11.422 1.00 0.00 C ATOM 329 CE2 PHE A 23 -8.934 -11.878 -11.309 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.832 -13.152 -10.789 1.00 0.00 C ATOM 0 H PHE A 23 -8.837 -12.675 -15.743 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.086 -14.516 -15.204 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.866 -11.504 -14.781 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.131 -12.559 -14.184 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.632 -14.839 -13.063 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.730 -10.666 -12.868 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.354 -15.208 -11.012 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.453 -11.050 -10.810 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.272 -13.318 -9.881 1.00 0.00 H new ATOM 340 N GLN A 24 -11.933 -14.165 -17.570 1.00 0.00 N ATOM 341 CA GLN A 24 -12.629 -13.974 -18.851 1.00 0.00 C ATOM 342 C GLN A 24 -14.149 -13.817 -18.636 1.00 0.00 C ATOM 343 O GLN A 24 -14.707 -14.404 -17.700 1.00 0.00 O ATOM 344 CB GLN A 24 -12.290 -15.144 -19.824 1.00 0.00 C ATOM 345 CG GLN A 24 -10.990 -14.898 -20.606 1.00 0.00 C ATOM 346 CD GLN A 24 -10.629 -16.019 -21.575 1.00 0.00 C ATOM 347 OE1 GLN A 24 -9.898 -16.941 -21.231 1.00 0.00 O ATOM 348 NE2 GLN A 24 -11.142 -15.943 -22.789 1.00 0.00 N ATOM 0 H GLN A 24 -11.850 -15.143 -17.292 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.280 -13.049 -19.310 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.200 -16.070 -19.256 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.113 -15.279 -20.526 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.084 -13.966 -21.163 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.172 -14.765 -19.898 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.747 -15.160 -23.039 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.934 -16.667 -23.477 1.00 0.00 H new ATOM 357 N PRO A 25 -14.860 -13.025 -19.514 1.00 0.00 N ATOM 358 CA PRO A 25 -14.312 -12.360 -20.736 1.00 0.00 C ATOM 359 C PRO A 25 -13.713 -10.956 -20.491 1.00 0.00 C ATOM 360 O PRO A 25 -13.448 -10.235 -21.458 1.00 0.00 O ATOM 361 CB PRO A 25 -15.571 -12.273 -21.674 1.00 0.00 C ATOM 362 CG PRO A 25 -16.709 -12.848 -20.864 1.00 0.00 C ATOM 363 CD PRO A 25 -16.290 -12.739 -19.416 1.00 0.00 C ATOM 0 HA PRO A 25 -13.471 -12.920 -21.145 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.776 -11.242 -21.964 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.417 -12.838 -22.593 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.633 -12.298 -21.045 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.897 -13.886 -21.138 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.485 -11.749 -19.004 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.811 -13.456 -18.781 1.00 0.00 H new ATOM 371 N CYS A 26 -13.477 -10.596 -19.208 1.00 0.00 N ATOM 372 CA CYS A 26 -13.051 -9.236 -18.831 1.00 0.00 C ATOM 373 C CYS A 26 -11.635 -8.896 -19.345 1.00 0.00 C ATOM 374 O CYS A 26 -11.492 -8.086 -20.266 1.00 0.00 O ATOM 375 CB CYS A 26 -13.131 -9.028 -17.303 1.00 0.00 C ATOM 376 SG CYS A 26 -12.609 -7.355 -16.818 1.00 0.00 S ATOM 0 H CYS A 26 -13.576 -11.233 -18.418 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.747 -8.551 -19.315 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.153 -9.201 -16.966 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.501 -9.764 -16.803 1.00 0.00 H new ATOM 381 N GLY A 27 -10.598 -9.528 -18.762 1.00 0.00 N ATOM 382 CA GLY A 27 -9.199 -9.243 -19.121 1.00 0.00 C ATOM 383 C GLY A 27 -8.314 -8.987 -17.911 1.00 0.00 C ATOM 384 O GLY A 27 -7.093 -9.129 -18.011 1.00 0.00 O ATOM 0 H GLY A 27 -10.705 -10.240 -18.040 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.797 -10.083 -19.687 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.168 -8.373 -19.777 1.00 0.00 H new ATOM 388 N HIS A 28 -8.918 -8.552 -16.775 1.00 0.00 N ATOM 389 CA HIS A 28 -8.197 -8.442 -15.480 1.00 0.00 C ATOM 390 C HIS A 28 -7.688 -9.819 -15.040 1.00 0.00 C ATOM 391 O HIS A 28 -8.335 -10.838 -15.294 1.00 0.00 O ATOM 392 CB HIS A 28 -9.080 -7.830 -14.365 1.00 0.00 C ATOM 393 CG HIS A 28 -9.325 -6.349 -14.497 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.580 -5.821 -14.353 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.446 -5.346 -14.751 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.432 -4.516 -14.514 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.162 -4.189 -14.756 1.00 0.00 N ATOM 0 H HIS A 28 -9.898 -8.273 -16.730 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.354 -7.769 -15.638 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.041 -8.344 -14.358 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.609 -8.022 -13.401 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.384 -5.447 -14.917 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.241 -3.803 -14.456 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.797 -3.250 -14.915 1.00 0.00 H new ATOM 405 N LYS A 29 -6.519 -9.833 -14.384 1.00 0.00 N ATOM 406 CA LYS A 29 -5.790 -11.067 -14.055 1.00 0.00 C ATOM 407 C LYS A 29 -5.245 -11.019 -12.615 1.00 0.00 C ATOM 408 O LYS A 29 -5.131 -9.940 -12.021 1.00 0.00 O ATOM 409 CB LYS A 29 -4.612 -11.252 -15.053 1.00 0.00 C ATOM 410 CG LYS A 29 -5.014 -11.298 -16.540 1.00 0.00 C ATOM 411 CD LYS A 29 -3.815 -11.499 -17.489 1.00 0.00 C ATOM 412 CE LYS A 29 -4.229 -11.466 -18.969 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.791 -10.157 -19.370 1.00 0.00 N ATOM 0 H LYS A 29 -6.050 -8.985 -14.065 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.479 -11.908 -14.133 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.904 -10.436 -14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.089 -12.176 -14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.728 -12.107 -16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.523 -10.370 -16.801 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.074 -10.721 -17.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.337 -12.454 -17.269 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.363 -11.692 -19.591 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.967 -12.247 -19.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.944 -10.145 -20.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.697 -10.004 -18.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.127 -9.400 -19.110 1.00 0.00 H new ATOM 427 N SER A 30 -4.913 -12.203 -12.073 1.00 0.00 N ATOM 428 CA SER A 30 -4.241 -12.359 -10.767 1.00 0.00 C ATOM 429 C SER A 30 -3.702 -13.794 -10.650 1.00 0.00 C ATOM 430 O SER A 30 -3.768 -14.564 -11.603 1.00 0.00 O ATOM 431 CB SER A 30 -5.209 -12.042 -9.592 1.00 0.00 C ATOM 432 OG SER A 30 -6.136 -13.086 -9.365 1.00 0.00 O ATOM 0 H SER A 30 -5.106 -13.092 -12.534 1.00 0.00 H new ATOM 0 HA SER A 30 -3.415 -11.650 -10.707 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.631 -11.868 -8.684 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.749 -11.120 -9.807 1.00 0.00 H new ATOM 0 HG SER A 30 -6.812 -13.083 -10.075 1.00 0.00 H new ATOM 438 N CYS A 31 -3.159 -14.148 -9.476 1.00 0.00 N ATOM 439 CA CYS A 31 -2.744 -15.529 -9.189 1.00 0.00 C ATOM 440 C CYS A 31 -3.980 -16.375 -8.821 1.00 0.00 C ATOM 441 O CYS A 31 -5.001 -15.826 -8.364 1.00 0.00 O ATOM 442 CB CYS A 31 -1.719 -15.551 -8.047 1.00 0.00 C ATOM 443 SG CYS A 31 -2.412 -15.187 -6.406 1.00 0.00 S ATOM 0 H CYS A 31 -2.997 -13.496 -8.709 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.275 -15.953 -10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.247 -16.533 -8.018 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.935 -14.826 -8.265 1.00 0.00 H new ATOM 448 N LYS A 32 -3.880 -17.706 -9.007 1.00 0.00 N ATOM 449 CA LYS A 32 -4.994 -18.649 -8.752 1.00 0.00 C ATOM 450 C LYS A 32 -5.397 -18.691 -7.261 1.00 0.00 C ATOM 451 O LYS A 32 -6.543 -19.009 -6.943 1.00 0.00 O ATOM 452 CB LYS A 32 -4.609 -20.066 -9.234 1.00 0.00 C ATOM 453 CG LYS A 32 -4.414 -20.205 -10.763 1.00 0.00 C ATOM 454 CD LYS A 32 -4.002 -21.637 -11.182 1.00 0.00 C ATOM 455 CE LYS A 32 -5.034 -22.703 -10.770 1.00 0.00 C ATOM 456 NZ LYS A 32 -4.559 -24.083 -11.031 1.00 0.00 N ATOM 0 H LYS A 32 -3.028 -18.160 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.857 -18.290 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.686 -20.365 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.383 -20.765 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.340 -19.934 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.652 -19.500 -11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.866 -21.669 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.039 -21.878 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.260 -22.594 -9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.964 -22.533 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.289 -24.763 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.368 -24.198 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.686 -24.257 -10.493 1.00 0.00 H new ATOM 470 N ALA A 33 -4.441 -18.376 -6.368 1.00 0.00 N ATOM 471 CA ALA A 33 -4.691 -18.299 -4.909 1.00 0.00 C ATOM 472 C ALA A 33 -5.744 -17.216 -4.558 1.00 0.00 C ATOM 473 O ALA A 33 -6.554 -17.410 -3.648 1.00 0.00 O ATOM 474 CB ALA A 33 -3.369 -18.054 -4.162 1.00 0.00 C ATOM 0 H ALA A 33 -3.478 -18.168 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.105 -19.254 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.561 -17.999 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.679 -18.873 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.928 -17.116 -4.500 1.00 0.00 H new ATOM 480 N CYS A 34 -5.729 -16.098 -5.321 1.00 0.00 N ATOM 481 CA CYS A 34 -6.677 -14.975 -5.137 1.00 0.00 C ATOM 482 C CYS A 34 -8.104 -15.369 -5.543 1.00 0.00 C ATOM 483 O CYS A 34 -9.057 -15.042 -4.835 1.00 0.00 O ATOM 484 CB CYS A 34 -6.228 -13.699 -5.907 1.00 0.00 C ATOM 485 SG CYS A 34 -4.968 -12.714 -5.043 1.00 0.00 S ATOM 0 H CYS A 34 -5.062 -15.950 -6.078 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.676 -14.740 -4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.838 -13.994 -6.881 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.101 -13.072 -6.090 1.00 0.00 H new ATOM 490 N ILE A 35 -8.254 -16.069 -6.688 1.00 0.00 N ATOM 491 CA ILE A 35 -9.589 -16.450 -7.183 1.00 0.00 C ATOM 492 C ILE A 35 -10.161 -17.630 -6.372 1.00 0.00 C ATOM 493 O ILE A 35 -11.360 -17.695 -6.166 1.00 0.00 O ATOM 494 CB ILE A 35 -9.613 -16.751 -8.730 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.082 -16.969 -9.242 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.710 -17.945 -9.111 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.018 -15.778 -9.043 1.00 0.00 C ATOM 0 H ILE A 35 -7.480 -16.376 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.234 -15.584 -7.034 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.204 -15.872 -9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.048 -17.212 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.505 -17.834 -8.730 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.762 -18.111 -10.187 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.680 -17.728 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.050 -18.839 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.008 -16.025 -9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.089 -15.545 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.626 -14.914 -9.579 1.00 0.00 H new ATOM 509 N ASN A 36 -9.285 -18.528 -5.876 1.00 0.00 N ATOM 510 CA ASN A 36 -9.695 -19.632 -4.976 1.00 0.00 C ATOM 511 C ASN A 36 -10.305 -19.045 -3.682 1.00 0.00 C ATOM 512 O ASN A 36 -11.366 -19.477 -3.225 1.00 0.00 O ATOM 513 CB ASN A 36 -8.486 -20.554 -4.640 1.00 0.00 C ATOM 514 CG ASN A 36 -8.866 -21.800 -3.817 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.957 -22.352 -3.964 1.00 0.00 O ATOM 516 ND2 ASN A 36 -7.977 -22.257 -2.948 1.00 0.00 N ATOM 0 H ASN A 36 -8.286 -18.512 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.445 -20.238 -5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.015 -20.873 -5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.743 -19.978 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.190 -23.081 -2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.079 -21.785 -2.841 1.00 0.00 H new ATOM 523 N GLN A 37 -9.612 -18.021 -3.148 1.00 0.00 N ATOM 524 CA GLN A 37 -10.064 -17.205 -2.008 1.00 0.00 C ATOM 525 C GLN A 37 -11.422 -16.528 -2.317 1.00 0.00 C ATOM 526 O GLN A 37 -12.338 -16.522 -1.482 1.00 0.00 O ATOM 527 CB GLN A 37 -8.996 -16.114 -1.722 1.00 0.00 C ATOM 528 CG GLN A 37 -9.349 -15.094 -0.616 1.00 0.00 C ATOM 529 CD GLN A 37 -8.424 -13.869 -0.602 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.938 -13.422 -1.645 1.00 0.00 O ATOM 531 NE2 GLN A 37 -8.162 -13.321 0.575 1.00 0.00 N ATOM 0 H GLN A 37 -8.702 -17.733 -3.507 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.193 -17.850 -1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.064 -16.609 -1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.807 -15.567 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.378 -14.762 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.300 -15.589 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.576 -13.710 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.546 -12.510 0.634 1.00 0.00 H new ATOM 540 N HIS A 38 -11.529 -15.977 -3.546 1.00 0.00 N ATOM 541 CA HIS A 38 -12.680 -15.160 -3.972 1.00 0.00 C ATOM 542 C HIS A 38 -13.935 -16.020 -4.177 1.00 0.00 C ATOM 543 O HIS A 38 -15.031 -15.568 -3.868 1.00 0.00 O ATOM 544 CB HIS A 38 -12.346 -14.375 -5.264 1.00 0.00 C ATOM 545 CG HIS A 38 -13.354 -13.309 -5.625 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.313 -12.064 -5.038 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.398 -13.350 -6.490 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.321 -11.389 -5.549 1.00 0.00 C ATOM 549 NE2 HIS A 38 -15.007 -12.121 -6.434 1.00 0.00 N ATOM 0 H HIS A 38 -10.818 -16.088 -4.269 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.890 -14.447 -3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.368 -13.908 -5.148 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.268 -15.079 -6.092 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.639 -11.732 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.693 -14.188 -7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.564 -10.370 -5.286 1.00 0.00 H new ATOM 557 N LEU A 39 -13.757 -17.270 -4.671 1.00 0.00 N ATOM 558 CA LEU A 39 -14.879 -18.205 -4.958 1.00 0.00 C ATOM 559 C LEU A 39 -15.561 -18.708 -3.668 1.00 0.00 C ATOM 560 O LEU A 39 -16.639 -19.312 -3.721 1.00 0.00 O ATOM 561 CB LEU A 39 -14.388 -19.404 -5.824 1.00 0.00 C ATOM 562 CG LEU A 39 -13.926 -19.060 -7.287 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.410 -20.314 -8.037 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.040 -18.344 -8.092 1.00 0.00 C ATOM 0 H LEU A 39 -12.838 -17.659 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.627 -17.648 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.557 -19.883 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.193 -20.137 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.091 -18.365 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.100 -20.034 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.560 -20.735 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.206 -21.056 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.679 -18.125 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.916 -18.989 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.309 -17.414 -7.592 1.00 0.00 H new ATOM 576 N MET A 40 -14.916 -18.449 -2.517 1.00 0.00 N ATOM 577 CA MET A 40 -15.480 -18.718 -1.179 1.00 0.00 C ATOM 578 C MET A 40 -16.495 -17.614 -0.783 1.00 0.00 C ATOM 579 O MET A 40 -17.259 -17.771 0.172 1.00 0.00 O ATOM 580 CB MET A 40 -14.343 -18.800 -0.122 1.00 0.00 C ATOM 581 CG MET A 40 -13.193 -19.746 -0.487 1.00 0.00 C ATOM 582 SD MET A 40 -13.769 -21.409 -0.882 1.00 0.00 S ATOM 583 CE MET A 40 -12.253 -22.185 -1.439 1.00 0.00 C ATOM 0 H MET A 40 -13.980 -18.044 -2.487 1.00 0.00 H new ATOM 0 HA MET A 40 -16.002 -19.674 -1.212 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.937 -17.800 0.033 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.771 -19.121 0.828 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.650 -19.340 -1.340 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.490 -19.796 0.344 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.385 -23.267 -1.463 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.007 -21.828 -2.439 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.443 -21.933 -0.755 1.00 0.00 H new ATOM 593 N ASN A 41 -16.466 -16.487 -1.519 1.00 0.00 N ATOM 594 CA ASN A 41 -17.321 -15.311 -1.279 1.00 0.00 C ATOM 595 C ASN A 41 -18.256 -15.102 -2.487 1.00 0.00 C ATOM 596 O ASN A 41 -19.438 -15.450 -2.434 1.00 0.00 O ATOM 597 CB ASN A 41 -16.449 -14.049 -1.042 1.00 0.00 C ATOM 598 CG ASN A 41 -15.385 -14.245 0.036 1.00 0.00 C ATOM 599 OD1 ASN A 41 -15.636 -14.026 1.220 1.00 0.00 O ATOM 600 ND2 ASN A 41 -14.190 -14.650 -0.367 1.00 0.00 N ATOM 0 H ASN A 41 -15.836 -16.367 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.923 -15.480 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.962 -13.771 -1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -17.094 -13.217 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.443 -14.790 0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.017 -14.822 -1.357 1.00 0.00 H new ATOM 607 N ASN A 42 -17.699 -14.569 -3.595 1.00 0.00 N ATOM 608 CA ASN A 42 -18.452 -14.226 -4.829 1.00 0.00 C ATOM 609 C ASN A 42 -17.716 -14.778 -6.067 1.00 0.00 C ATOM 610 O ASN A 42 -16.787 -15.576 -5.935 1.00 0.00 O ATOM 611 CB ASN A 42 -18.628 -12.682 -4.930 1.00 0.00 C ATOM 612 CG ASN A 42 -19.531 -12.106 -3.832 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.752 -12.038 -3.986 1.00 0.00 O ATOM 614 ND2 ASN A 42 -18.946 -11.687 -2.720 1.00 0.00 N ATOM 0 H ASN A 42 -16.703 -14.361 -3.663 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.441 -14.683 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.649 -12.206 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -19.048 -12.433 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -19.508 -11.296 -1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -17.933 -11.755 -2.620 1.00 0.00 H new ATOM 621 N LYS A 43 -18.173 -14.389 -7.274 1.00 0.00 N ATOM 622 CA LYS A 43 -17.539 -14.793 -8.559 1.00 0.00 C ATOM 623 C LYS A 43 -17.361 -13.563 -9.469 1.00 0.00 C ATOM 624 O LYS A 43 -17.359 -13.668 -10.699 1.00 0.00 O ATOM 625 CB LYS A 43 -18.396 -15.898 -9.243 1.00 0.00 C ATOM 626 CG LYS A 43 -18.553 -17.173 -8.376 1.00 0.00 C ATOM 627 CD LYS A 43 -19.283 -18.327 -9.083 1.00 0.00 C ATOM 628 CE LYS A 43 -19.406 -19.567 -8.177 1.00 0.00 C ATOM 629 NZ LYS A 43 -20.110 -20.681 -8.855 1.00 0.00 N ATOM 0 H LYS A 43 -18.989 -13.788 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.549 -15.207 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.384 -15.496 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.937 -16.168 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.564 -17.516 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.096 -16.916 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.277 -17.997 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.746 -18.594 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.412 -19.896 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.943 -19.299 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.172 -21.496 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.068 -20.376 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.585 -20.954 -9.710 1.00 0.00 H new ATOM 643 N ASP A 44 -17.190 -12.392 -8.830 1.00 0.00 N ATOM 644 CA ASP A 44 -16.970 -11.102 -9.522 1.00 0.00 C ATOM 645 C ASP A 44 -15.463 -10.848 -9.754 1.00 0.00 C ATOM 646 O ASP A 44 -14.609 -11.450 -9.100 1.00 0.00 O ATOM 647 CB ASP A 44 -17.592 -9.955 -8.691 1.00 0.00 C ATOM 648 CG ASP A 44 -19.113 -10.110 -8.487 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.886 -9.815 -9.429 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.541 -10.559 -7.401 1.00 0.00 O ATOM 0 H ASP A 44 -17.200 -12.310 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.454 -11.141 -10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.103 -9.914 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.393 -9.005 -9.188 1.00 0.00 H new ATOM 655 N CYS A 45 -15.143 -9.943 -10.689 1.00 0.00 N ATOM 656 CA CYS A 45 -13.744 -9.655 -11.097 1.00 0.00 C ATOM 657 C CYS A 45 -13.133 -8.502 -10.272 1.00 0.00 C ATOM 658 O CYS A 45 -12.772 -7.439 -10.821 1.00 0.00 O ATOM 659 CB CYS A 45 -13.730 -9.369 -12.606 1.00 0.00 C ATOM 660 SG CYS A 45 -12.146 -8.869 -13.320 1.00 0.00 S ATOM 0 H CYS A 45 -15.838 -9.387 -11.188 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.115 -10.521 -10.894 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.071 -10.265 -13.126 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.459 -8.585 -12.811 1.00 0.00 H new ATOM 665 N PHE A 46 -13.075 -8.734 -8.940 1.00 0.00 N ATOM 666 CA PHE A 46 -12.340 -7.920 -7.940 1.00 0.00 C ATOM 667 C PHE A 46 -12.586 -6.389 -8.069 1.00 0.00 C ATOM 668 O PHE A 46 -13.559 -5.862 -7.510 1.00 0.00 O ATOM 669 CB PHE A 46 -10.812 -8.264 -7.962 1.00 0.00 C ATOM 670 CG PHE A 46 -10.466 -9.684 -7.494 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.746 -10.794 -8.297 1.00 0.00 C ATOM 672 CD2 PHE A 46 -9.864 -9.906 -6.254 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.431 -12.071 -7.875 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.548 -11.185 -5.836 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.831 -12.264 -6.648 1.00 0.00 C ATOM 0 H PHE A 46 -13.558 -9.525 -8.514 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.747 -8.193 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.438 -8.130 -8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.284 -7.550 -7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.215 -10.651 -9.260 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.642 -9.066 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.655 -12.919 -8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.080 -11.340 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.582 -13.263 -6.322 1.00 0.00 H new ATOM 685 N PHE A 47 -11.730 -5.707 -8.867 1.00 0.00 N ATOM 686 CA PHE A 47 -11.667 -4.236 -8.933 1.00 0.00 C ATOM 687 C PHE A 47 -12.877 -3.670 -9.689 1.00 0.00 C ATOM 688 O PHE A 47 -13.636 -2.867 -9.145 1.00 0.00 O ATOM 689 CB PHE A 47 -10.339 -3.795 -9.606 1.00 0.00 C ATOM 690 CG PHE A 47 -9.089 -4.400 -8.952 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.634 -3.942 -7.714 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.375 -5.432 -9.573 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.512 -4.495 -7.118 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.257 -5.977 -8.974 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.822 -5.508 -7.748 1.00 0.00 C ATOM 0 H PHE A 47 -11.062 -6.169 -9.484 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.695 -3.838 -7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.362 -4.079 -10.658 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.267 -2.708 -9.571 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.164 -3.145 -7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.703 -5.806 -10.532 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.177 -4.131 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.719 -6.774 -9.466 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.944 -5.934 -7.286 1.00 0.00 H new ATOM 705 N CYS A 48 -13.067 -4.121 -10.946 1.00 0.00 N ATOM 706 CA CYS A 48 -14.193 -3.659 -11.789 1.00 0.00 C ATOM 707 C CYS A 48 -15.508 -4.355 -11.379 1.00 0.00 C ATOM 708 O CYS A 48 -16.594 -3.877 -11.718 1.00 0.00 O ATOM 709 CB CYS A 48 -13.916 -3.936 -13.276 1.00 0.00 C ATOM 710 SG CYS A 48 -14.160 -5.676 -13.742 1.00 0.00 S ATOM 0 H CYS A 48 -12.458 -4.802 -11.400 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.294 -2.584 -11.639 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.570 -3.310 -13.883 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -12.891 -3.645 -13.508 1.00 0.00 H new ATOM 715 N LYS A 49 -15.379 -5.520 -10.682 1.00 0.00 N ATOM 716 CA LYS A 49 -16.503 -6.313 -10.131 1.00 0.00 C ATOM 717 C LYS A 49 -17.377 -7.001 -11.231 1.00 0.00 C ATOM 718 O LYS A 49 -18.320 -7.724 -10.912 1.00 0.00 O ATOM 719 CB LYS A 49 -17.308 -5.426 -9.109 1.00 0.00 C ATOM 720 CG LYS A 49 -18.554 -6.062 -8.423 1.00 0.00 C ATOM 721 CD LYS A 49 -19.885 -5.741 -9.158 1.00 0.00 C ATOM 722 CE LYS A 49 -21.072 -6.574 -8.663 1.00 0.00 C ATOM 723 NZ LYS A 49 -21.387 -6.325 -7.247 1.00 0.00 N ATOM 0 H LYS A 49 -14.469 -5.938 -10.487 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.101 -7.164 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.620 -5.108 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.635 -4.526 -9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.423 -7.143 -8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.618 -5.704 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.115 -4.683 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.751 -5.912 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.948 -6.349 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.851 -7.632 -8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.197 -6.913 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.562 -6.565 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.625 -5.321 -7.116 1.00 0.00 H new ATOM 737 N THR A 50 -17.018 -6.837 -12.518 1.00 0.00 N ATOM 738 CA THR A 50 -17.708 -7.518 -13.634 1.00 0.00 C ATOM 739 C THR A 50 -17.677 -9.054 -13.420 1.00 0.00 C ATOM 740 O THR A 50 -16.600 -9.627 -13.303 1.00 0.00 O ATOM 741 CB THR A 50 -17.031 -7.161 -14.996 1.00 0.00 C ATOM 742 OG1 THR A 50 -16.937 -5.731 -15.128 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.791 -7.752 -16.197 1.00 0.00 C ATOM 0 H THR A 50 -16.249 -6.235 -12.814 1.00 0.00 H new ATOM 0 HA THR A 50 -18.744 -7.179 -13.658 1.00 0.00 H new ATOM 0 HB THR A 50 -16.034 -7.602 -14.996 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.092 -5.422 -14.741 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.282 -7.477 -17.121 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.822 -8.838 -16.109 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.808 -7.360 -16.212 1.00 0.00 H new ATOM 751 N THR A 51 -18.858 -9.691 -13.346 1.00 0.00 N ATOM 752 CA THR A 51 -18.982 -11.132 -13.036 1.00 0.00 C ATOM 753 C THR A 51 -18.241 -11.993 -14.088 1.00 0.00 C ATOM 754 O THR A 51 -18.419 -11.804 -15.300 1.00 0.00 O ATOM 755 CB THR A 51 -20.484 -11.569 -12.938 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.185 -10.665 -12.068 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.641 -13.012 -12.404 1.00 0.00 C ATOM 0 H THR A 51 -19.753 -9.226 -13.498 1.00 0.00 H new ATOM 0 HA THR A 51 -18.516 -11.296 -12.064 1.00 0.00 H new ATOM 0 HB THR A 51 -20.902 -11.540 -13.944 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.650 -10.505 -11.263 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.699 -13.268 -12.354 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.131 -13.705 -13.073 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.204 -13.081 -11.408 1.00 0.00 H new ATOM 765 N ILE A 52 -17.391 -12.908 -13.596 1.00 0.00 N ATOM 766 CA ILE A 52 -16.520 -13.749 -14.424 1.00 0.00 C ATOM 767 C ILE A 52 -17.321 -14.948 -14.961 1.00 0.00 C ATOM 768 O ILE A 52 -17.961 -15.657 -14.178 1.00 0.00 O ATOM 769 CB ILE A 52 -15.297 -14.286 -13.580 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.652 -13.147 -12.710 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.236 -14.937 -14.505 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.658 -13.637 -11.670 1.00 0.00 C ATOM 0 H ILE A 52 -17.290 -13.085 -12.597 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.144 -13.147 -15.251 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.676 -15.048 -12.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.149 -12.442 -13.372 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.447 -12.598 -12.205 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.403 -15.300 -13.904 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.685 -15.771 -15.043 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.873 -14.198 -15.219 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.262 -12.786 -11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.158 -14.318 -10.981 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.840 -14.159 -12.166 1.00 0.00 H new ATOM 784 N VAL A 53 -17.284 -15.166 -16.288 1.00 0.00 N ATOM 785 CA VAL A 53 -17.896 -16.350 -16.918 1.00 0.00 C ATOM 786 C VAL A 53 -17.015 -17.581 -16.648 1.00 0.00 C ATOM 787 O VAL A 53 -17.503 -18.605 -16.170 1.00 0.00 O ATOM 788 CB VAL A 53 -18.105 -16.147 -18.469 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.578 -17.446 -19.177 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.099 -14.983 -18.733 1.00 0.00 C ATOM 0 H VAL A 53 -16.833 -14.533 -16.949 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.883 -16.501 -16.480 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.135 -15.890 -18.895 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.707 -17.254 -20.242 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.832 -18.229 -19.037 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.527 -17.769 -18.749 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.233 -14.855 -19.807 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.060 -15.213 -18.273 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.703 -14.062 -18.305 1.00 0.00 H new ATOM 800 N SER A 54 -15.704 -17.448 -16.934 1.00 0.00 N ATOM 801 CA SER A 54 -14.735 -18.540 -16.745 1.00 0.00 C ATOM 802 C SER A 54 -13.364 -17.971 -16.358 1.00 0.00 C ATOM 803 O SER A 54 -12.889 -17.001 -16.963 1.00 0.00 O ATOM 804 CB SER A 54 -14.626 -19.381 -18.041 1.00 0.00 C ATOM 805 OG SER A 54 -13.768 -20.497 -17.876 1.00 0.00 O ATOM 0 H SER A 54 -15.293 -16.589 -17.299 1.00 0.00 H new ATOM 0 HA SER A 54 -15.081 -19.185 -15.938 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.618 -19.726 -18.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.254 -18.753 -18.851 1.00 0.00 H new ATOM 0 HG SER A 54 -12.932 -20.342 -18.363 1.00 0.00 H new ATOM 811 N VAL A 55 -12.733 -18.585 -15.341 1.00 0.00 N ATOM 812 CA VAL A 55 -11.374 -18.240 -14.910 1.00 0.00 C ATOM 813 C VAL A 55 -10.403 -19.250 -15.525 1.00 0.00 C ATOM 814 O VAL A 55 -10.309 -20.397 -15.066 1.00 0.00 O ATOM 815 CB VAL A 55 -11.238 -18.264 -13.342 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.826 -17.804 -12.887 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.353 -17.426 -12.677 1.00 0.00 C ATOM 0 H VAL A 55 -13.156 -19.336 -14.796 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.146 -17.228 -15.244 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.360 -19.296 -13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.767 -17.833 -11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.073 -18.470 -13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.646 -16.786 -13.233 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.236 -17.459 -11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.284 -16.393 -13.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.326 -17.834 -12.950 1.00 0.00 H new ATOM 827 N GLU A 56 -9.703 -18.824 -16.575 1.00 0.00 N ATOM 828 CA GLU A 56 -8.684 -19.643 -17.245 1.00 0.00 C ATOM 829 C GLU A 56 -7.319 -19.356 -16.616 1.00 0.00 C ATOM 830 O GLU A 56 -7.186 -18.429 -15.811 1.00 0.00 O ATOM 831 CB GLU A 56 -8.673 -19.326 -18.770 1.00 0.00 C ATOM 832 CG GLU A 56 -10.017 -19.567 -19.492 1.00 0.00 C ATOM 833 CD GLU A 56 -10.437 -21.042 -19.529 1.00 0.00 C ATOM 834 OE1 GLU A 56 -10.015 -21.768 -20.456 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.192 -21.494 -18.642 1.00 0.00 O ATOM 0 H GLU A 56 -9.824 -17.900 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.913 -20.701 -17.120 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.384 -18.284 -18.908 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.906 -19.935 -19.248 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.796 -18.988 -18.995 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.944 -19.193 -20.513 1.00 0.00 H new ATOM 842 N ASP A 57 -6.314 -20.167 -16.945 1.00 0.00 N ATOM 843 CA ASP A 57 -4.922 -19.875 -16.565 1.00 0.00 C ATOM 844 C ASP A 57 -4.328 -18.890 -17.583 1.00 0.00 C ATOM 845 O ASP A 57 -4.744 -18.865 -18.752 1.00 0.00 O ATOM 846 CB ASP A 57 -4.066 -21.168 -16.491 1.00 0.00 C ATOM 847 CG ASP A 57 -3.822 -21.828 -17.861 1.00 0.00 C ATOM 848 OD1 ASP A 57 -4.778 -22.396 -18.431 1.00 0.00 O ATOM 849 OD2 ASP A 57 -2.682 -21.776 -18.379 1.00 0.00 O ATOM 0 H ASP A 57 -6.432 -21.032 -17.473 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.914 -19.431 -15.570 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.105 -20.931 -16.035 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.562 -21.884 -15.836 1.00 0.00 H new ATOM 854 N TRP A 58 -3.388 -18.067 -17.130 1.00 0.00 N ATOM 855 CA TRP A 58 -2.630 -17.166 -17.997 1.00 0.00 C ATOM 856 C TRP A 58 -1.151 -17.310 -17.676 1.00 0.00 C ATOM 857 O TRP A 58 -0.719 -17.035 -16.543 1.00 0.00 O ATOM 858 CB TRP A 58 -3.066 -15.687 -17.839 1.00 0.00 C ATOM 859 CG TRP A 58 -2.337 -14.741 -18.786 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.620 -14.525 -20.110 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.213 -13.895 -18.482 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.749 -13.607 -20.637 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.877 -13.203 -19.662 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.464 -13.652 -17.327 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.166 -12.286 -19.715 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.574 -12.749 -17.379 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.884 -12.073 -18.566 1.00 0.00 C ATOM 0 H TRP A 58 -3.128 -18.004 -16.146 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.828 -17.444 -19.032 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.139 -15.611 -18.015 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.888 -15.370 -16.811 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.415 -15.008 -20.659 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.750 -13.277 -21.602 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.697 -14.166 -16.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.403 -11.760 -20.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.158 -12.559 -16.491 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.704 -11.371 -18.577 1.00 0.00 H new ATOM 878 N GLU A 59 -0.390 -17.760 -18.675 1.00 0.00 N ATOM 879 CA GLU A 59 1.069 -17.769 -18.627 1.00 0.00 C ATOM 880 C GLU A 59 1.592 -16.833 -19.721 1.00 0.00 C ATOM 881 O GLU A 59 1.205 -16.951 -20.896 1.00 0.00 O ATOM 882 CB GLU A 59 1.631 -19.203 -18.797 1.00 0.00 C ATOM 883 CG GLU A 59 3.178 -19.286 -18.726 1.00 0.00 C ATOM 884 CD GLU A 59 3.699 -20.728 -18.690 1.00 0.00 C ATOM 885 OE1 GLU A 59 3.776 -21.311 -17.586 1.00 0.00 O ATOM 886 OE2 GLU A 59 4.019 -21.295 -19.760 1.00 0.00 O ATOM 0 H GLU A 59 -0.773 -18.130 -19.545 1.00 0.00 H new ATOM 0 HA GLU A 59 1.405 -17.418 -17.651 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.207 -19.843 -18.023 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.300 -19.601 -19.756 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.604 -18.773 -19.588 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.524 -18.758 -17.838 1.00 0.00 H new ATOM 893 N LYS A 60 2.415 -15.871 -19.299 1.00 0.00 N ATOM 894 CA LYS A 60 3.106 -14.920 -20.181 1.00 0.00 C ATOM 895 C LYS A 60 4.004 -15.644 -21.225 1.00 0.00 C ATOM 896 O LYS A 60 4.502 -16.749 -20.975 1.00 0.00 O ATOM 897 CB LYS A 60 3.948 -13.914 -19.334 1.00 0.00 C ATOM 898 CG LYS A 60 5.210 -14.493 -18.627 1.00 0.00 C ATOM 899 CD LYS A 60 4.914 -15.471 -17.462 1.00 0.00 C ATOM 900 CE LYS A 60 6.194 -16.100 -16.876 1.00 0.00 C ATOM 901 NZ LYS A 60 7.142 -15.078 -16.368 1.00 0.00 N ATOM 0 H LYS A 60 2.626 -15.726 -18.312 1.00 0.00 H new ATOM 0 HA LYS A 60 2.346 -14.369 -20.735 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.264 -13.099 -19.986 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.299 -13.480 -18.574 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.820 -15.009 -19.369 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.806 -13.665 -18.244 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.381 -14.940 -16.673 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.254 -16.263 -17.816 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.925 -16.778 -16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.686 -16.699 -17.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.939 -15.549 -15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.499 -14.510 -17.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.654 -14.457 -15.691 1.00 0.00 H new ATOM 915 N GLY A 61 4.205 -14.999 -22.386 1.00 0.00 N ATOM 916 CA GLY A 61 5.003 -15.557 -23.481 1.00 0.00 C ATOM 917 C GLY A 61 6.205 -14.667 -23.791 1.00 0.00 C ATOM 918 O GLY A 61 6.080 -13.749 -24.625 1.00 0.00 O ATOM 919 OXT GLY A 61 7.271 -14.859 -23.183 1.00 0.00 O ATOM 0 H GLY A 61 3.818 -14.077 -22.588 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.346 -16.557 -23.213 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.383 -15.660 -24.372 1.00 0.00 H new TER 923 GLY A 61 HETATM 924 ZN ZN A 101 -2.768 -12.936 -5.783 1.00 0.00 ZN HETATM 925 ZN ZN A 102 -12.337 -6.899 -14.556 1.00 0.00 ZN