USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 HIS : no HE2:sc= -11.6! C(o=-12!,f=-18!) USER MOD Set 1.2: A 106 ASN : amide:sc= 0 K(o=-12,f=-13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.33 (180deg=-2.08!) USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.413 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0.0159 K(o=0.016,f=-1) USER MOD Single : A 12 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.11) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.124 (180deg=-1.05) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.06 K(o=-1.1,f=0.27) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -14.6! (180deg=-16.4!) USER MOD Single : A 57 HIS : no HD1:sc= -2.28 X(o=-2.3,f=-2.5!) USER MOD Single : A 59 GLN : amide:sc= -1.76! C(o=-1.8!,f=-6.7!) USER MOD Single : A 63 HIS : no HD1:sc= -8.86! C(o=-8.9!,f=-11!) USER MOD Single : A 64 CYS SG : rot 110:sc= -13.8! USER MOD Single : A 65 GLN : amide:sc= -6.39! C(o=-6.4!,f=-6.8!) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -0.142 (180deg=-0.377) USER MOD Single : A 70 THR OG1 : rot -80:sc= -0.84 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.83) USER MOD Single : A 73 ASN : amide:sc= -6.43! C(o=-6.4!,f=-7.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.105 -4.706 15.442 1.00 0.00 N ATOM 2 CA MET A 1 7.435 -3.861 14.413 1.00 0.00 C ATOM 3 C MET A 1 8.249 -2.590 14.197 1.00 0.00 C ATOM 4 O MET A 1 8.110 -1.618 14.940 1.00 0.00 O ATOM 5 CB MET A 1 6.026 -3.506 14.890 1.00 0.00 C ATOM 6 CG MET A 1 5.434 -4.687 15.663 1.00 0.00 C ATOM 7 SD MET A 1 5.866 -4.541 17.415 1.00 0.00 S ATOM 8 CE MET A 1 4.295 -3.845 17.981 1.00 0.00 C ATOM 0 H1 MET A 1 7.947 -5.710 15.223 1.00 0.00 H new ATOM 0 H2 MET A 1 9.126 -4.508 15.442 1.00 0.00 H new ATOM 0 H3 MET A 1 7.710 -4.490 16.380 1.00 0.00 H new ATOM 0 HA MET A 1 7.367 -4.407 13.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.058 -2.621 15.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.393 -3.262 14.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.351 -4.706 15.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.815 -5.626 15.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.340 -3.672 19.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.110 -2.901 17.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.487 -4.542 17.759 1.00 0.00 H new ATOM 18 N ALA A 2 9.100 -2.602 13.175 1.00 0.00 N ATOM 19 CA ALA A 2 9.932 -1.444 12.874 1.00 0.00 C ATOM 20 C ALA A 2 9.474 -0.769 11.582 1.00 0.00 C ATOM 21 O ALA A 2 10.246 -0.057 10.939 1.00 0.00 O ATOM 22 CB ALA A 2 11.395 -1.872 12.740 1.00 0.00 C ATOM 0 H ALA A 2 9.230 -3.395 12.546 1.00 0.00 H new ATOM 0 HA ALA A 2 9.836 -0.731 13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.010 -1.001 12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.730 -2.321 13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.489 -2.600 11.934 1.00 0.00 H new ATOM 28 N LEU A 3 8.219 -0.996 11.206 1.00 0.00 N ATOM 29 CA LEU A 3 7.681 -0.400 9.989 1.00 0.00 C ATOM 30 C LEU A 3 8.210 1.020 9.816 1.00 0.00 C ATOM 31 O LEU A 3 7.939 1.898 10.633 1.00 0.00 O ATOM 32 CB LEU A 3 6.152 -0.374 10.042 1.00 0.00 C ATOM 33 CG LEU A 3 5.697 0.109 11.421 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.638 1.201 11.256 1.00 0.00 C ATOM 35 CD2 LEU A 3 5.102 -1.065 12.201 1.00 0.00 C ATOM 0 H LEU A 3 7.562 -1.582 11.721 1.00 0.00 H new ATOM 0 HA LEU A 3 7.999 -1.005 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.762 0.286 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.754 -1.369 9.844 1.00 0.00 H new ATOM 0 HG LEU A 3 6.551 0.512 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.314 1.545 12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.061 2.037 10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.783 0.800 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.778 -0.722 13.183 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.248 -1.468 11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.856 -1.843 12.319 1.00 0.00 H new ATOM 47 N THR A 4 8.971 1.233 8.749 1.00 0.00 N ATOM 48 CA THR A 4 9.543 2.546 8.480 1.00 0.00 C ATOM 49 C THR A 4 8.810 3.230 7.330 1.00 0.00 C ATOM 50 O THR A 4 8.347 2.572 6.397 1.00 0.00 O ATOM 51 CB THR A 4 11.022 2.400 8.123 1.00 0.00 C ATOM 52 OG1 THR A 4 11.733 1.912 9.251 1.00 0.00 O ATOM 53 CG2 THR A 4 11.588 3.759 7.708 1.00 0.00 C ATOM 0 H THR A 4 9.205 0.518 8.060 1.00 0.00 H new ATOM 0 HA THR A 4 9.437 3.158 9.376 1.00 0.00 H new ATOM 0 HB THR A 4 11.128 1.699 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.131 1.379 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.643 3.652 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.042 4.131 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.483 4.464 8.533 1.00 0.00 H new ATOM 61 N THR A 5 8.717 4.554 7.399 1.00 0.00 N ATOM 62 CA THR A 5 8.048 5.317 6.351 1.00 0.00 C ATOM 63 C THR A 5 8.964 5.452 5.143 1.00 0.00 C ATOM 64 O THR A 5 10.188 5.452 5.281 1.00 0.00 O ATOM 65 CB THR A 5 7.673 6.706 6.872 1.00 0.00 C ATOM 66 OG1 THR A 5 8.543 7.062 7.936 1.00 0.00 O ATOM 67 CG2 THR A 5 6.228 6.692 7.374 1.00 0.00 C ATOM 0 H THR A 5 9.093 5.117 8.162 1.00 0.00 H new ATOM 0 HA THR A 5 7.141 4.790 6.056 1.00 0.00 H new ATOM 0 HB THR A 5 7.768 7.434 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.305 7.952 8.269 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.962 7.682 7.745 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.561 6.420 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.130 5.964 8.180 1.00 0.00 H new ATOM 75 N ILE A 6 8.375 5.554 3.957 1.00 0.00 N ATOM 76 CA ILE A 6 9.172 5.673 2.746 1.00 0.00 C ATOM 77 C ILE A 6 8.558 6.664 1.768 1.00 0.00 C ATOM 78 O ILE A 6 7.382 7.013 1.862 1.00 0.00 O ATOM 79 CB ILE A 6 9.316 4.288 2.083 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.782 3.864 2.120 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.839 4.319 0.625 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.884 2.355 1.891 1.00 0.00 C ATOM 0 H ILE A 6 7.366 5.557 3.810 1.00 0.00 H new ATOM 0 HA ILE A 6 10.157 6.050 3.022 1.00 0.00 H new ATOM 0 HB ILE A 6 8.699 3.578 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.345 4.397 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.223 4.127 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.953 3.329 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.790 4.613 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.435 5.037 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.931 2.053 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.335 1.830 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.459 2.105 0.919 1.00 0.00 H new ATOM 94 N SER A 7 9.377 7.087 0.817 1.00 0.00 N ATOM 95 CA SER A 7 8.936 8.017 -0.210 1.00 0.00 C ATOM 96 C SER A 7 8.840 7.286 -1.545 1.00 0.00 C ATOM 97 O SER A 7 9.631 6.384 -1.822 1.00 0.00 O ATOM 98 CB SER A 7 9.926 9.176 -0.327 1.00 0.00 C ATOM 99 OG SER A 7 9.433 10.292 0.404 1.00 0.00 O ATOM 0 H SER A 7 10.352 6.800 0.736 1.00 0.00 H new ATOM 0 HA SER A 7 7.958 8.414 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.901 8.877 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.066 9.446 -1.374 1.00 0.00 H new ATOM 0 HG SER A 7 10.067 11.036 0.332 1.00 0.00 H new ATOM 105 N PRO A 8 7.894 7.643 -2.366 1.00 0.00 N ATOM 106 CA PRO A 8 7.703 6.996 -3.688 1.00 0.00 C ATOM 107 C PRO A 8 9.033 6.698 -4.373 1.00 0.00 C ATOM 108 O PRO A 8 9.133 5.784 -5.192 1.00 0.00 O ATOM 109 CB PRO A 8 6.898 8.027 -4.472 1.00 0.00 C ATOM 110 CG PRO A 8 6.130 8.800 -3.449 1.00 0.00 C ATOM 111 CD PRO A 8 6.906 8.706 -2.129 1.00 0.00 C ATOM 0 HA PRO A 8 7.205 6.030 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.553 8.681 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.228 7.543 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.019 9.840 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.125 8.393 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.390 9.651 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.247 8.459 -1.296 1.00 0.00 H new ATOM 119 N HIS A 9 10.050 7.478 -4.030 1.00 0.00 N ATOM 120 CA HIS A 9 11.374 7.297 -4.614 1.00 0.00 C ATOM 121 C HIS A 9 11.980 5.962 -4.192 1.00 0.00 C ATOM 122 O HIS A 9 12.712 5.338 -4.959 1.00 0.00 O ATOM 123 CB HIS A 9 12.297 8.438 -4.181 1.00 0.00 C ATOM 124 CG HIS A 9 11.775 9.740 -4.722 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.760 10.445 -4.097 1.00 0.00 N ATOM 126 CD2 HIS A 9 12.118 10.477 -5.828 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.529 11.554 -4.824 1.00 0.00 C ATOM 128 NE2 HIS A 9 11.330 11.623 -5.890 1.00 0.00 N ATOM 0 H HIS A 9 9.985 8.239 -3.354 1.00 0.00 H new ATOM 0 HA HIS A 9 11.269 7.303 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.354 8.481 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.308 8.260 -4.546 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.883 10.209 -6.542 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.786 12.297 -4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.358 12.357 -6.597 1.00 0.00 H new ATOM 136 N ASP A 10 11.674 5.524 -2.975 1.00 0.00 N ATOM 137 CA ASP A 10 12.205 4.259 -2.485 1.00 0.00 C ATOM 138 C ASP A 10 11.430 3.096 -3.089 1.00 0.00 C ATOM 139 O ASP A 10 12.009 2.208 -3.715 1.00 0.00 O ATOM 140 CB ASP A 10 12.102 4.205 -0.963 1.00 0.00 C ATOM 141 CG ASP A 10 13.376 3.605 -0.376 1.00 0.00 C ATOM 142 OD1 ASP A 10 14.017 2.833 -1.070 1.00 0.00 O ATOM 143 OD2 ASP A 10 13.690 3.926 0.758 1.00 0.00 O ATOM 0 H ASP A 10 11.070 6.019 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 10 13.252 4.182 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.945 5.207 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.239 3.607 -0.669 1.00 0.00 H new ATOM 148 N ALA A 11 10.115 3.113 -2.903 1.00 0.00 N ATOM 149 CA ALA A 11 9.262 2.059 -3.437 1.00 0.00 C ATOM 150 C ALA A 11 9.601 1.795 -4.900 1.00 0.00 C ATOM 151 O ALA A 11 9.484 0.668 -5.381 1.00 0.00 O ATOM 152 CB ALA A 11 7.793 2.465 -3.316 1.00 0.00 C ATOM 0 H ALA A 11 9.619 3.841 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 11 9.433 1.148 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.162 1.672 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.546 2.629 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.622 3.384 -3.877 1.00 0.00 H new ATOM 158 N GLN A 12 10.023 2.841 -5.602 1.00 0.00 N ATOM 159 CA GLN A 12 10.378 2.710 -7.009 1.00 0.00 C ATOM 160 C GLN A 12 11.533 1.729 -7.179 1.00 0.00 C ATOM 161 O GLN A 12 11.557 0.941 -8.124 1.00 0.00 O ATOM 162 CB GLN A 12 10.777 4.074 -7.576 1.00 0.00 C ATOM 163 CG GLN A 12 10.360 4.158 -9.046 1.00 0.00 C ATOM 164 CD GLN A 12 11.406 4.929 -9.842 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.452 4.829 -11.068 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.255 5.698 -9.215 1.00 0.00 N ATOM 0 H GLN A 12 10.127 3.782 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 12 9.511 2.332 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.299 4.871 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.854 4.217 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.244 3.155 -9.457 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.391 4.651 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.215 5.780 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.958 6.217 -9.741 1.00 0.00 H new ATOM 175 N GLU A 13 12.486 1.782 -6.254 1.00 0.00 N ATOM 176 CA GLU A 13 13.641 0.892 -6.308 1.00 0.00 C ATOM 177 C GLU A 13 13.247 -0.522 -5.892 1.00 0.00 C ATOM 178 O GLU A 13 13.628 -1.498 -6.538 1.00 0.00 O ATOM 179 CB GLU A 13 14.742 1.411 -5.381 1.00 0.00 C ATOM 180 CG GLU A 13 15.152 2.820 -5.812 1.00 0.00 C ATOM 181 CD GLU A 13 16.618 3.067 -5.469 1.00 0.00 C ATOM 182 OE1 GLU A 13 17.009 2.742 -4.360 1.00 0.00 O ATOM 183 OE2 GLU A 13 17.327 3.577 -6.319 1.00 0.00 O ATOM 0 H GLU A 13 12.482 2.427 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 13 14.011 0.867 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.388 1.423 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.604 0.744 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.996 2.941 -6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.524 3.558 -5.313 1.00 0.00 H new ATOM 190 N LEU A 14 12.480 -0.623 -4.811 1.00 0.00 N ATOM 191 CA LEU A 14 12.039 -1.922 -4.318 1.00 0.00 C ATOM 192 C LEU A 14 11.113 -2.589 -5.325 1.00 0.00 C ATOM 193 O LEU A 14 11.274 -3.765 -5.649 1.00 0.00 O ATOM 194 CB LEU A 14 11.305 -1.756 -2.987 1.00 0.00 C ATOM 195 CG LEU A 14 11.965 -0.642 -2.175 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.437 -0.679 -0.741 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.481 -0.846 -2.168 1.00 0.00 C ATOM 0 H LEU A 14 12.153 0.173 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 14 12.918 -2.550 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.256 -1.518 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.329 -2.691 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 14 11.732 0.324 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.906 0.115 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.357 -0.534 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.671 -1.644 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.952 -0.052 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.716 -1.811 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.856 -0.821 -3.191 1.00 0.00 H new ATOM 209 N ILE A 15 10.143 -1.829 -5.820 1.00 0.00 N ATOM 210 CA ILE A 15 9.201 -2.362 -6.793 1.00 0.00 C ATOM 211 C ILE A 15 9.955 -3.099 -7.890 1.00 0.00 C ATOM 212 O ILE A 15 9.416 -3.997 -8.538 1.00 0.00 O ATOM 213 CB ILE A 15 8.384 -1.223 -7.406 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.313 -0.772 -6.409 1.00 0.00 C ATOM 215 CG2 ILE A 15 7.710 -1.707 -8.690 1.00 0.00 C ATOM 216 CD1 ILE A 15 6.776 0.601 -6.822 1.00 0.00 C ATOM 0 H ILE A 15 9.990 -0.853 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 15 8.527 -3.056 -6.291 1.00 0.00 H new ATOM 0 HB ILE A 15 9.045 -0.388 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.500 -1.498 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.734 -0.723 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.129 -0.894 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.471 -2.030 -9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.049 -2.543 -8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.014 0.922 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.592 1.324 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.340 0.536 -7.819 1.00 0.00 H new ATOM 228 N ALA A 16 11.212 -2.717 -8.083 1.00 0.00 N ATOM 229 CA ALA A 16 12.049 -3.351 -9.094 1.00 0.00 C ATOM 230 C ALA A 16 12.717 -4.596 -8.520 1.00 0.00 C ATOM 231 O ALA A 16 13.085 -5.511 -9.256 1.00 0.00 O ATOM 232 CB ALA A 16 13.119 -2.371 -9.580 1.00 0.00 C ATOM 0 H ALA A 16 11.672 -1.975 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 16 11.419 -3.641 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.739 -2.854 -10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.639 -1.493 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.742 -2.067 -8.739 1.00 0.00 H new ATOM 238 N ARG A 17 12.871 -4.618 -7.200 1.00 0.00 N ATOM 239 CA ARG A 17 13.499 -5.752 -6.532 1.00 0.00 C ATOM 240 C ARG A 17 12.498 -6.885 -6.338 1.00 0.00 C ATOM 241 O ARG A 17 12.829 -8.057 -6.524 1.00 0.00 O ATOM 242 CB ARG A 17 14.046 -5.316 -5.170 1.00 0.00 C ATOM 243 CG ARG A 17 15.424 -5.945 -4.948 1.00 0.00 C ATOM 244 CD ARG A 17 15.667 -6.134 -3.450 1.00 0.00 C ATOM 245 NE ARG A 17 14.907 -5.152 -2.685 1.00 0.00 N ATOM 246 CZ ARG A 17 15.183 -4.918 -1.406 1.00 0.00 C ATOM 247 NH1 ARG A 17 16.148 -5.571 -0.819 1.00 0.00 N ATOM 248 NH2 ARG A 17 14.488 -4.039 -0.737 1.00 0.00 N ATOM 0 H ARG A 17 12.572 -3.869 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 17 14.317 -6.109 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.119 -4.229 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.363 -5.621 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.483 -6.905 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.199 -5.308 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.376 -7.141 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.730 -6.031 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 17 14.152 -4.637 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.689 -6.260 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.361 -5.393 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.732 -3.531 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.701 -3.860 0.244 1.00 0.00 H new ATOM 262 N GLY A 18 11.274 -6.531 -5.962 1.00 0.00 N ATOM 263 CA GLY A 18 10.234 -7.530 -5.745 1.00 0.00 C ATOM 264 C GLY A 18 9.222 -7.051 -4.710 1.00 0.00 C ATOM 265 O GLY A 18 8.128 -7.607 -4.598 1.00 0.00 O ATOM 0 H GLY A 18 10.979 -5.568 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.725 -7.740 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.686 -8.464 -5.411 1.00 0.00 H new ATOM 269 N ALA A 19 9.590 -6.020 -3.955 1.00 0.00 N ATOM 270 CA ALA A 19 8.700 -5.479 -2.933 1.00 0.00 C ATOM 271 C ALA A 19 7.242 -5.710 -3.320 1.00 0.00 C ATOM 272 O ALA A 19 6.861 -5.528 -4.476 1.00 0.00 O ATOM 273 CB ALA A 19 8.956 -3.981 -2.757 1.00 0.00 C ATOM 0 H ALA A 19 10.490 -5.546 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 19 8.900 -5.992 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.288 -3.585 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.990 -3.822 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.773 -3.467 -3.701 1.00 0.00 H new ATOM 279 N LYS A 20 6.434 -6.117 -2.348 1.00 0.00 N ATOM 280 CA LYS A 20 5.022 -6.376 -2.600 1.00 0.00 C ATOM 281 C LYS A 20 4.159 -5.222 -2.097 1.00 0.00 C ATOM 282 O LYS A 20 3.838 -5.145 -0.912 1.00 0.00 O ATOM 283 CB LYS A 20 4.596 -7.669 -1.895 1.00 0.00 C ATOM 284 CG LYS A 20 4.805 -8.873 -2.822 1.00 0.00 C ATOM 285 CD LYS A 20 3.446 -9.412 -3.274 1.00 0.00 C ATOM 286 CE LYS A 20 2.763 -10.122 -2.103 1.00 0.00 C ATOM 287 NZ LYS A 20 1.296 -9.852 -2.142 1.00 0.00 N ATOM 0 H LYS A 20 6.730 -6.274 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 20 4.882 -6.477 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.174 -7.800 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.548 -7.604 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.398 -8.580 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.363 -9.652 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.820 -8.595 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.576 -10.103 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.947 -11.195 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.182 -9.774 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.790 -10.611 -1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.098 -8.942 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.976 -9.815 -3.131 1.00 0.00 H new ATOM 301 N LEU A 21 3.777 -4.333 -3.010 1.00 0.00 N ATOM 302 CA LEU A 21 2.938 -3.197 -2.646 1.00 0.00 C ATOM 303 C LEU A 21 1.480 -3.633 -2.579 1.00 0.00 C ATOM 304 O LEU A 21 1.004 -4.370 -3.443 1.00 0.00 O ATOM 305 CB LEU A 21 3.096 -2.074 -3.674 1.00 0.00 C ATOM 306 CG LEU A 21 3.992 -0.977 -3.097 1.00 0.00 C ATOM 307 CD1 LEU A 21 4.561 -0.131 -4.238 1.00 0.00 C ATOM 308 CD2 LEU A 21 3.169 -0.085 -2.165 1.00 0.00 C ATOM 0 H LEU A 21 4.032 -4.376 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 21 3.248 -2.828 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.530 -2.467 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.120 -1.663 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 21 4.810 -1.432 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.200 0.651 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.146 -0.765 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.743 0.324 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.807 0.697 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.352 0.370 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.761 -0.686 -1.352 1.00 0.00 H new ATOM 320 N ILE A 22 0.775 -3.190 -1.544 1.00 0.00 N ATOM 321 CA ILE A 22 -0.625 -3.565 -1.382 1.00 0.00 C ATOM 322 C ILE A 22 -1.504 -2.340 -1.158 1.00 0.00 C ATOM 323 O ILE A 22 -1.138 -1.420 -0.428 1.00 0.00 O ATOM 324 CB ILE A 22 -0.770 -4.514 -0.193 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.246 -5.651 -0.324 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.185 -5.094 -0.173 1.00 0.00 C ATOM 327 CD1 ILE A 22 -0.134 -6.786 0.629 1.00 0.00 C ATOM 0 H ILE A 22 1.143 -2.580 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.949 -4.060 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.589 -3.968 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.269 -6.016 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.247 -5.287 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.289 -5.771 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.909 -4.284 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.367 -5.641 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.589 -7.596 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.135 -6.416 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.128 -7.156 0.376 1.00 0.00 H new ATOM 339 N ASP A 23 -2.676 -2.350 -1.783 1.00 0.00 N ATOM 340 CA ASP A 23 -3.620 -1.250 -1.641 1.00 0.00 C ATOM 341 C ASP A 23 -4.747 -1.661 -0.699 1.00 0.00 C ATOM 342 O ASP A 23 -5.310 -2.748 -0.830 1.00 0.00 O ATOM 343 CB ASP A 23 -4.195 -0.874 -3.009 1.00 0.00 C ATOM 344 CG ASP A 23 -5.298 0.165 -2.842 1.00 0.00 C ATOM 345 OD1 ASP A 23 -5.069 1.137 -2.141 1.00 0.00 O ATOM 346 OD2 ASP A 23 -6.356 -0.026 -3.418 1.00 0.00 O ATOM 0 H ASP A 23 -2.994 -3.105 -2.391 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.102 -0.385 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.406 -0.479 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.591 -1.761 -3.503 1.00 0.00 H new ATOM 351 N ILE A 24 -5.066 -0.796 0.257 1.00 0.00 N ATOM 352 CA ILE A 24 -6.119 -1.097 1.217 1.00 0.00 C ATOM 353 C ILE A 24 -7.055 0.094 1.386 1.00 0.00 C ATOM 354 O ILE A 24 -6.922 0.877 2.326 1.00 0.00 O ATOM 355 CB ILE A 24 -5.506 -1.464 2.568 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.592 -0.328 3.043 1.00 0.00 C ATOM 357 CG2 ILE A 24 -4.688 -2.749 2.425 1.00 0.00 C ATOM 358 CD1 ILE A 24 -5.085 0.199 4.393 1.00 0.00 C ATOM 0 H ILE A 24 -4.616 0.110 0.387 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.695 -1.941 0.838 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.302 -1.618 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.567 -0.687 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.584 0.477 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.251 -3.011 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.337 -3.558 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.893 -2.595 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.434 1.006 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.103 0.574 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.070 -0.608 5.126 1.00 0.00 H new ATOM 370 N ARG A 25 -8.004 0.214 0.467 1.00 0.00 N ATOM 371 CA ARG A 25 -8.972 1.305 0.511 1.00 0.00 C ATOM 372 C ARG A 25 -10.240 0.921 -0.248 1.00 0.00 C ATOM 373 O ARG A 25 -10.602 -0.254 -0.314 1.00 0.00 O ATOM 374 CB ARG A 25 -8.366 2.571 -0.102 1.00 0.00 C ATOM 375 CG ARG A 25 -8.104 2.346 -1.592 1.00 0.00 C ATOM 376 CD ARG A 25 -7.491 3.610 -2.201 1.00 0.00 C ATOM 377 NE ARG A 25 -6.198 3.304 -2.803 1.00 0.00 N ATOM 378 CZ ARG A 25 -5.716 4.035 -3.802 1.00 0.00 C ATOM 379 NH1 ARG A 25 -6.407 5.041 -4.267 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.554 3.747 -4.320 1.00 0.00 N ATOM 0 H ARG A 25 -8.125 -0.428 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.229 1.499 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.044 3.414 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.436 2.824 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.431 1.500 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.035 2.099 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.163 4.022 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.370 4.372 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.655 2.516 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.316 5.265 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.037 5.603 -5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.015 2.960 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.184 4.309 -5.087 1.00 0.00 H new ATOM 394 N ASP A 26 -10.912 1.917 -0.819 1.00 0.00 N ATOM 395 CA ASP A 26 -12.139 1.665 -1.567 1.00 0.00 C ATOM 396 C ASP A 26 -11.832 1.455 -3.045 1.00 0.00 C ATOM 397 O ASP A 26 -11.340 2.361 -3.718 1.00 0.00 O ATOM 398 CB ASP A 26 -13.099 2.845 -1.408 1.00 0.00 C ATOM 399 CG ASP A 26 -13.897 2.699 -0.118 1.00 0.00 C ATOM 400 OD1 ASP A 26 -13.297 2.795 0.940 1.00 0.00 O ATOM 401 OD2 ASP A 26 -15.097 2.495 -0.205 1.00 0.00 O ATOM 0 H ASP A 26 -10.631 2.897 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.604 0.762 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.539 3.780 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.776 2.891 -2.261 1.00 0.00 H new ATOM 406 N ALA A 27 -12.127 0.260 -3.546 1.00 0.00 N ATOM 407 CA ALA A 27 -11.877 -0.043 -4.950 1.00 0.00 C ATOM 408 C ALA A 27 -12.410 1.081 -5.831 1.00 0.00 C ATOM 409 O ALA A 27 -11.854 1.368 -6.891 1.00 0.00 O ATOM 410 CB ALA A 27 -12.546 -1.364 -5.335 1.00 0.00 C ATOM 0 H ALA A 27 -12.534 -0.505 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.801 -0.135 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.351 -1.578 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.143 -2.169 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.621 -1.288 -5.174 1.00 0.00 H new ATOM 416 N ASP A 28 -13.486 1.721 -5.379 1.00 0.00 N ATOM 417 CA ASP A 28 -14.074 2.821 -6.134 1.00 0.00 C ATOM 418 C ASP A 28 -13.001 3.851 -6.459 1.00 0.00 C ATOM 419 O ASP A 28 -12.909 4.334 -7.588 1.00 0.00 O ATOM 420 CB ASP A 28 -15.193 3.476 -5.324 1.00 0.00 C ATOM 421 CG ASP A 28 -16.243 2.435 -4.951 1.00 0.00 C ATOM 422 OD1 ASP A 28 -15.922 1.259 -4.990 1.00 0.00 O ATOM 423 OD2 ASP A 28 -17.352 2.829 -4.632 1.00 0.00 O ATOM 0 H ASP A 28 -13.962 1.500 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.492 2.431 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.783 3.930 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.652 4.277 -5.904 1.00 0.00 H new ATOM 428 N GLU A 29 -12.179 4.167 -5.464 1.00 0.00 N ATOM 429 CA GLU A 29 -11.096 5.123 -5.656 1.00 0.00 C ATOM 430 C GLU A 29 -9.982 4.461 -6.455 1.00 0.00 C ATOM 431 O GLU A 29 -9.293 5.109 -7.244 1.00 0.00 O ATOM 432 CB GLU A 29 -10.553 5.586 -4.300 1.00 0.00 C ATOM 433 CG GLU A 29 -11.533 6.570 -3.655 1.00 0.00 C ATOM 434 CD GLU A 29 -10.765 7.691 -2.963 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.189 8.508 -3.663 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.761 7.716 -1.743 1.00 0.00 O ATOM 0 H GLU A 29 -12.241 3.778 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.473 5.991 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.403 4.727 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.581 6.061 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.196 6.986 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.162 6.049 -2.933 1.00 0.00 H new ATOM 443 N TYR A 30 -9.827 3.158 -6.249 1.00 0.00 N ATOM 444 CA TYR A 30 -8.811 2.391 -6.956 1.00 0.00 C ATOM 445 C TYR A 30 -9.213 2.216 -8.415 1.00 0.00 C ATOM 446 O TYR A 30 -8.364 2.046 -9.290 1.00 0.00 O ATOM 447 CB TYR A 30 -8.650 1.019 -6.299 1.00 0.00 C ATOM 448 CG TYR A 30 -7.234 0.530 -6.484 1.00 0.00 C ATOM 449 CD1 TYR A 30 -6.189 1.133 -5.772 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.965 -0.526 -7.363 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.875 0.679 -5.940 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.651 -0.980 -7.530 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.607 -0.377 -6.820 1.00 0.00 C ATOM 454 OH TYR A 30 -3.311 -0.824 -6.984 1.00 0.00 O ATOM 0 H TYR A 30 -10.392 2.612 -5.599 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.863 2.928 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.887 1.083 -5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.351 0.310 -6.739 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.397 1.948 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.771 -0.990 -7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.069 1.143 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.443 -1.796 -8.207 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.299 -1.562 -7.628 1.00 0.00 H new ATOM 464 N LEU A 31 -10.518 2.267 -8.668 1.00 0.00 N ATOM 465 CA LEU A 31 -11.033 2.121 -10.024 1.00 0.00 C ATOM 466 C LEU A 31 -10.631 3.322 -10.873 1.00 0.00 C ATOM 467 O LEU A 31 -10.006 3.171 -11.923 1.00 0.00 O ATOM 468 CB LEU A 31 -12.559 2.003 -9.992 1.00 0.00 C ATOM 469 CG LEU A 31 -13.033 1.151 -11.170 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.463 1.715 -12.471 1.00 0.00 C ATOM 471 CD2 LEU A 31 -12.548 -0.290 -10.984 1.00 0.00 C ATOM 0 H LEU A 31 -11.234 2.408 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.610 1.218 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.879 1.553 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.011 2.993 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.122 1.167 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.801 1.107 -13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.807 2.741 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.374 1.700 -12.428 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.885 -0.899 -11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.459 -0.305 -10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.954 -0.694 -10.057 1.00 0.00 H new ATOM 483 N ARG A 32 -10.986 4.514 -10.405 1.00 0.00 N ATOM 484 CA ARG A 32 -10.649 5.735 -11.126 1.00 0.00 C ATOM 485 C ARG A 32 -9.159 5.766 -11.439 1.00 0.00 C ATOM 486 O ARG A 32 -8.711 6.508 -12.314 1.00 0.00 O ATOM 487 CB ARG A 32 -11.019 6.957 -10.283 1.00 0.00 C ATOM 488 CG ARG A 32 -12.511 6.914 -9.948 1.00 0.00 C ATOM 489 CD ARG A 32 -13.012 8.332 -9.671 1.00 0.00 C ATOM 490 NE ARG A 32 -13.247 9.038 -10.925 1.00 0.00 N ATOM 491 CZ ARG A 32 -14.281 8.732 -11.701 1.00 0.00 C ATOM 492 NH1 ARG A 32 -15.107 7.788 -11.343 1.00 0.00 N ATOM 493 NH2 ARG A 32 -14.469 9.374 -12.821 1.00 0.00 N ATOM 0 H ARG A 32 -11.502 4.660 -9.538 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.211 5.756 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.430 6.971 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.784 7.872 -10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.068 6.475 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.681 6.280 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.933 8.293 -9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.280 8.874 -9.072 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.607 9.779 -11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.959 7.285 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.901 7.552 -11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.822 10.111 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.263 9.139 -13.417 1.00 0.00 H new ATOM 507 N GLU A 33 -8.395 4.954 -10.715 1.00 0.00 N ATOM 508 CA GLU A 33 -6.954 4.893 -10.918 1.00 0.00 C ATOM 509 C GLU A 33 -6.350 3.755 -10.108 1.00 0.00 C ATOM 510 O GLU A 33 -6.732 3.524 -8.961 1.00 0.00 O ATOM 511 CB GLU A 33 -6.310 6.216 -10.497 1.00 0.00 C ATOM 512 CG GLU A 33 -5.850 6.984 -11.737 1.00 0.00 C ATOM 513 CD GLU A 33 -5.865 8.484 -11.459 1.00 0.00 C ATOM 514 OE1 GLU A 33 -6.235 8.858 -10.359 1.00 0.00 O ATOM 515 OE2 GLU A 33 -5.509 9.234 -12.352 1.00 0.00 O ATOM 0 H GLU A 33 -8.748 4.333 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.762 4.716 -11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.023 6.815 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.461 6.025 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.845 6.668 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.503 6.756 -12.579 1.00 0.00 H new ATOM 522 N HIS A 34 -5.400 3.051 -10.711 1.00 0.00 N ATOM 523 CA HIS A 34 -4.749 1.942 -10.031 1.00 0.00 C ATOM 524 C HIS A 34 -3.346 1.724 -10.588 1.00 0.00 C ATOM 525 O HIS A 34 -3.079 2.010 -11.755 1.00 0.00 O ATOM 526 CB HIS A 34 -5.576 0.666 -10.200 1.00 0.00 C ATOM 527 CG HIS A 34 -5.795 0.404 -11.663 1.00 0.00 C ATOM 528 ND1 HIS A 34 -5.000 -0.473 -12.385 1.00 0.00 N ATOM 529 CD2 HIS A 34 -6.712 0.900 -12.557 1.00 0.00 C ATOM 530 CE1 HIS A 34 -5.449 -0.478 -13.653 1.00 0.00 C ATOM 531 NE2 HIS A 34 -6.491 0.342 -13.812 1.00 0.00 N ATOM 0 H HIS A 34 -5.067 3.226 -11.659 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.672 2.183 -8.971 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.061 -0.178 -9.741 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.534 0.770 -9.690 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.217 -1.016 -12.021 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.487 1.615 -12.322 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.019 -1.073 -14.446 1.00 0.00 H new ATOM 539 N ILE A 35 -2.453 1.217 -9.745 1.00 0.00 N ATOM 540 CA ILE A 35 -1.078 0.967 -10.164 1.00 0.00 C ATOM 541 C ILE A 35 -0.887 -0.507 -10.528 1.00 0.00 C ATOM 542 O ILE A 35 -1.130 -1.388 -9.704 1.00 0.00 O ATOM 543 CB ILE A 35 -0.118 1.342 -9.034 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.844 2.243 -8.031 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.084 2.089 -9.613 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.165 2.811 -7.030 1.00 0.00 C ATOM 0 H ILE A 35 -2.654 0.973 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.866 1.576 -11.043 1.00 0.00 H new ATOM 0 HB ILE A 35 0.225 0.438 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.349 3.055 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.613 1.675 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.768 2.356 -8.808 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.599 1.449 -10.330 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.743 2.994 -10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.352 3.452 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.650 1.993 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.917 3.393 -7.562 1.00 0.00 H new ATOM 558 N PRO A 36 -0.457 -0.796 -11.734 1.00 0.00 N ATOM 559 CA PRO A 36 -0.237 -2.198 -12.190 1.00 0.00 C ATOM 560 C PRO A 36 1.069 -2.775 -11.662 1.00 0.00 C ATOM 561 O PRO A 36 1.883 -3.304 -12.420 1.00 0.00 O ATOM 562 CB PRO A 36 -0.206 -2.079 -13.707 1.00 0.00 C ATOM 563 CG PRO A 36 0.277 -0.694 -13.988 1.00 0.00 C ATOM 564 CD PRO A 36 -0.138 0.174 -12.796 1.00 0.00 C ATOM 0 HA PRO A 36 -1.010 -2.875 -11.826 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.459 -2.823 -14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.195 -2.244 -14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.359 -0.681 -14.116 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.158 -0.314 -14.912 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.666 0.845 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.999 0.797 -13.038 1.00 0.00 H new ATOM 572 N GLU A 37 1.257 -2.664 -10.357 1.00 0.00 N ATOM 573 CA GLU A 37 2.465 -3.174 -9.719 1.00 0.00 C ATOM 574 C GLU A 37 2.231 -3.406 -8.230 1.00 0.00 C ATOM 575 O GLU A 37 3.178 -3.499 -7.449 1.00 0.00 O ATOM 576 CB GLU A 37 3.612 -2.181 -9.909 1.00 0.00 C ATOM 577 CG GLU A 37 3.208 -0.818 -9.344 1.00 0.00 C ATOM 578 CD GLU A 37 3.434 -0.792 -7.836 1.00 0.00 C ATOM 579 OE1 GLU A 37 4.507 -1.184 -7.410 1.00 0.00 O ATOM 580 OE2 GLU A 37 2.529 -0.379 -7.128 1.00 0.00 O ATOM 0 H GLU A 37 0.592 -2.227 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 37 2.725 -4.125 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.508 -2.544 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.856 -2.090 -10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.791 -0.030 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.160 -0.619 -9.567 1.00 0.00 H new ATOM 587 N ALA A 38 0.964 -3.501 -7.848 1.00 0.00 N ATOM 588 CA ALA A 38 0.610 -3.726 -6.452 1.00 0.00 C ATOM 589 C ALA A 38 -0.634 -4.602 -6.351 1.00 0.00 C ATOM 590 O ALA A 38 -1.482 -4.597 -7.244 1.00 0.00 O ATOM 591 CB ALA A 38 0.353 -2.389 -5.756 1.00 0.00 C ATOM 0 H ALA A 38 0.168 -3.426 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 38 1.441 -4.235 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.089 -2.566 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.253 -1.775 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.466 -1.871 -6.255 1.00 0.00 H new ATOM 597 N ASP A 39 -0.737 -5.352 -5.259 1.00 0.00 N ATOM 598 CA ASP A 39 -1.884 -6.229 -5.053 1.00 0.00 C ATOM 599 C ASP A 39 -3.039 -5.456 -4.425 1.00 0.00 C ATOM 600 O ASP A 39 -2.887 -4.845 -3.367 1.00 0.00 O ATOM 601 CB ASP A 39 -1.492 -7.396 -4.144 1.00 0.00 C ATOM 602 CG ASP A 39 -2.717 -8.248 -3.831 1.00 0.00 C ATOM 603 OD1 ASP A 39 -3.713 -8.096 -4.520 1.00 0.00 O ATOM 604 OD2 ASP A 39 -2.643 -9.040 -2.906 1.00 0.00 O ATOM 0 H ASP A 39 -0.046 -5.371 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.203 -6.616 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.729 -8.005 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.057 -7.017 -3.219 1.00 0.00 H new ATOM 609 N LEU A 40 -4.192 -5.484 -5.085 1.00 0.00 N ATOM 610 CA LEU A 40 -5.365 -4.779 -4.581 1.00 0.00 C ATOM 611 C LEU A 40 -6.095 -5.624 -3.542 1.00 0.00 C ATOM 612 O LEU A 40 -6.586 -6.712 -3.847 1.00 0.00 O ATOM 613 CB LEU A 40 -6.313 -4.457 -5.737 1.00 0.00 C ATOM 614 CG LEU A 40 -7.517 -3.679 -5.209 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.062 -2.303 -4.719 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.543 -3.506 -6.330 1.00 0.00 C ATOM 0 H LEU A 40 -4.339 -5.983 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.035 -3.853 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.793 -3.872 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.644 -5.378 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.969 -4.227 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.921 -1.748 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.330 -2.425 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.609 -1.754 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.402 -2.951 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.090 -2.958 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.869 -4.486 -6.680 1.00 0.00 H new ATOM 628 N ALA A 41 -6.168 -5.116 -2.315 1.00 0.00 N ATOM 629 CA ALA A 41 -6.845 -5.836 -1.243 1.00 0.00 C ATOM 630 C ALA A 41 -7.450 -4.854 -0.244 1.00 0.00 C ATOM 631 O ALA A 41 -6.795 -4.450 0.717 1.00 0.00 O ATOM 632 CB ALA A 41 -5.858 -6.755 -0.523 1.00 0.00 C ATOM 0 H ALA A 41 -5.771 -4.217 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.643 -6.436 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.374 -7.288 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.446 -7.473 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.049 -6.160 -0.099 1.00 0.00 H new ATOM 638 N PRO A 42 -8.678 -4.464 -0.457 1.00 0.00 N ATOM 639 CA PRO A 42 -9.388 -3.506 0.437 1.00 0.00 C ATOM 640 C PRO A 42 -9.212 -3.841 1.912 1.00 0.00 C ATOM 641 O PRO A 42 -9.525 -4.946 2.350 1.00 0.00 O ATOM 642 CB PRO A 42 -10.850 -3.650 0.024 1.00 0.00 C ATOM 643 CG PRO A 42 -10.806 -4.065 -1.408 1.00 0.00 C ATOM 644 CD PRO A 42 -9.531 -4.895 -1.577 1.00 0.00 C ATOM 0 HA PRO A 42 -9.000 -2.493 0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.362 -4.394 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.389 -2.711 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.688 -4.649 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.793 -3.195 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.741 -5.964 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.055 -4.704 -2.539 1.00 0.00 H new ATOM 652 N LEU A 43 -8.719 -2.874 2.672 1.00 0.00 N ATOM 653 CA LEU A 43 -8.517 -3.070 4.100 1.00 0.00 C ATOM 654 C LEU A 43 -9.595 -3.978 4.669 1.00 0.00 C ATOM 655 O LEU A 43 -9.317 -5.061 5.181 1.00 0.00 O ATOM 656 CB LEU A 43 -8.582 -1.725 4.817 1.00 0.00 C ATOM 657 CG LEU A 43 -7.537 -1.702 5.920 1.00 0.00 C ATOM 658 CD1 LEU A 43 -7.700 -0.438 6.764 1.00 0.00 C ATOM 659 CD2 LEU A 43 -7.709 -2.934 6.810 1.00 0.00 C ATOM 0 H LEU A 43 -8.453 -1.952 2.327 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.540 -3.530 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.403 -0.913 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.576 -1.570 5.237 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.543 -1.709 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.948 -0.428 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.574 0.441 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.694 -0.424 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.960 -2.918 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.705 -2.927 7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.585 -3.836 6.211 1.00 0.00 H new ATOM 671 N SER A 44 -10.826 -3.505 4.579 1.00 0.00 N ATOM 672 CA SER A 44 -11.974 -4.248 5.092 1.00 0.00 C ATOM 673 C SER A 44 -11.882 -5.730 4.732 1.00 0.00 C ATOM 674 O SER A 44 -12.388 -6.583 5.463 1.00 0.00 O ATOM 675 CB SER A 44 -13.265 -3.664 4.518 1.00 0.00 C ATOM 676 OG SER A 44 -13.520 -2.402 5.122 1.00 0.00 O ATOM 0 H SER A 44 -11.061 -2.608 4.155 1.00 0.00 H new ATOM 0 HA SER A 44 -11.976 -4.159 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.178 -3.552 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.098 -4.343 4.702 1.00 0.00 H new ATOM 0 HG SER A 44 -14.346 -2.024 4.755 1.00 0.00 H new ATOM 682 N VAL A 45 -11.245 -6.034 3.607 1.00 0.00 N ATOM 683 CA VAL A 45 -11.111 -7.422 3.172 1.00 0.00 C ATOM 684 C VAL A 45 -10.032 -8.142 3.981 1.00 0.00 C ATOM 685 O VAL A 45 -10.214 -9.290 4.385 1.00 0.00 O ATOM 686 CB VAL A 45 -10.776 -7.475 1.673 1.00 0.00 C ATOM 687 CG1 VAL A 45 -9.275 -7.702 1.469 1.00 0.00 C ATOM 688 CG2 VAL A 45 -11.552 -8.623 1.023 1.00 0.00 C ATOM 0 H VAL A 45 -10.817 -5.348 2.985 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.061 -7.930 3.341 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.056 -6.527 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.054 -7.737 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.718 -6.886 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.984 -8.645 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.317 -8.664 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.270 -9.565 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.622 -8.458 1.152 1.00 0.00 H new ATOM 698 N LEU A 46 -8.912 -7.465 4.209 1.00 0.00 N ATOM 699 CA LEU A 46 -7.816 -8.059 4.967 1.00 0.00 C ATOM 700 C LEU A 46 -8.111 -8.024 6.464 1.00 0.00 C ATOM 701 O LEU A 46 -7.520 -8.778 7.238 1.00 0.00 O ATOM 702 CB LEU A 46 -6.517 -7.304 4.686 1.00 0.00 C ATOM 703 CG LEU A 46 -5.327 -8.156 5.131 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.954 -9.134 4.015 1.00 0.00 C ATOM 705 CD2 LEU A 46 -4.134 -7.246 5.431 1.00 0.00 C ATOM 0 H LEU A 46 -8.739 -6.514 3.884 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.710 -9.098 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.438 -7.077 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.515 -6.352 5.216 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.594 -8.714 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.106 -9.741 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.804 -9.782 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.686 -8.577 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.285 -7.852 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.867 -6.689 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.399 -6.549 6.226 1.00 0.00 H new ATOM 717 N GLU A 47 -9.024 -7.147 6.864 1.00 0.00 N ATOM 718 CA GLU A 47 -9.383 -7.025 8.274 1.00 0.00 C ATOM 719 C GLU A 47 -10.357 -8.126 8.681 1.00 0.00 C ATOM 720 O GLU A 47 -10.265 -8.673 9.780 1.00 0.00 O ATOM 721 CB GLU A 47 -10.018 -5.658 8.538 1.00 0.00 C ATOM 722 CG GLU A 47 -10.071 -5.398 10.045 1.00 0.00 C ATOM 723 CD GLU A 47 -11.520 -5.327 10.515 1.00 0.00 C ATOM 724 OE1 GLU A 47 -12.140 -6.373 10.621 1.00 0.00 O ATOM 725 OE2 GLU A 47 -11.989 -4.228 10.761 1.00 0.00 O ATOM 0 H GLU A 47 -9.526 -6.515 6.240 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.474 -7.124 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.441 -4.876 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.023 -5.626 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.547 -6.192 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.559 -4.465 10.279 1.00 0.00 H new ATOM 732 N GLN A 48 -11.292 -8.445 7.792 1.00 0.00 N ATOM 733 CA GLN A 48 -12.278 -9.481 8.076 1.00 0.00 C ATOM 734 C GLN A 48 -11.781 -10.846 7.606 1.00 0.00 C ATOM 735 O GLN A 48 -11.999 -11.859 8.273 1.00 0.00 O ATOM 736 CB GLN A 48 -13.600 -9.152 7.380 1.00 0.00 C ATOM 737 CG GLN A 48 -14.110 -7.794 7.866 1.00 0.00 C ATOM 738 CD GLN A 48 -14.784 -7.949 9.226 1.00 0.00 C ATOM 739 OE1 GLN A 48 -14.517 -7.175 10.145 1.00 0.00 O ATOM 740 NE2 GLN A 48 -15.648 -8.909 9.410 1.00 0.00 N ATOM 0 H GLN A 48 -11.388 -8.005 6.877 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.433 -9.517 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.459 -9.134 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.337 -9.926 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.281 -7.090 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.816 -7.382 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.868 -9.550 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.103 -9.019 10.316 1.00 0.00 H new ATOM 749 N SER A 49 -11.114 -10.867 6.456 1.00 0.00 N ATOM 750 CA SER A 49 -10.592 -12.114 5.910 1.00 0.00 C ATOM 751 C SER A 49 -9.382 -12.585 6.709 1.00 0.00 C ATOM 752 O SER A 49 -9.481 -13.502 7.525 1.00 0.00 O ATOM 753 CB SER A 49 -10.196 -11.920 4.446 1.00 0.00 C ATOM 754 OG SER A 49 -9.939 -13.187 3.855 1.00 0.00 O ATOM 0 H SER A 49 -10.924 -10.041 5.888 1.00 0.00 H new ATOM 0 HA SER A 49 -11.373 -12.871 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.994 -11.410 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.310 -11.288 4.378 1.00 0.00 H new ATOM 0 HG SER A 49 -9.687 -13.065 2.916 1.00 0.00 H new ATOM 760 N GLY A 50 -8.242 -11.950 6.469 1.00 0.00 N ATOM 761 CA GLY A 50 -7.015 -12.308 7.172 1.00 0.00 C ATOM 762 C GLY A 50 -6.087 -13.117 6.274 1.00 0.00 C ATOM 763 O GLY A 50 -5.970 -14.334 6.419 1.00 0.00 O ATOM 0 H GLY A 50 -8.140 -11.189 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.506 -11.404 7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.258 -12.885 8.064 1.00 0.00 H new ATOM 767 N LEU A 51 -5.428 -12.431 5.347 1.00 0.00 N ATOM 768 CA LEU A 51 -4.508 -13.091 4.428 1.00 0.00 C ATOM 769 C LEU A 51 -3.142 -12.412 4.461 1.00 0.00 C ATOM 770 O LEU A 51 -2.879 -11.485 3.694 1.00 0.00 O ATOM 771 CB LEU A 51 -5.067 -13.045 3.006 1.00 0.00 C ATOM 772 CG LEU A 51 -4.240 -13.960 2.103 1.00 0.00 C ATOM 773 CD1 LEU A 51 -4.839 -15.368 2.113 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.256 -13.412 0.675 1.00 0.00 C ATOM 0 H LEU A 51 -5.513 -11.424 5.212 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.395 -14.129 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.110 -13.361 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.042 -12.023 2.627 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.214 -14.000 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.248 -16.019 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.831 -15.760 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.865 -15.329 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.667 -14.063 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.283 -13.373 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.830 -12.409 0.665 1.00 0.00 H new ATOM 786 N PRO A 52 -2.278 -12.855 5.333 1.00 0.00 N ATOM 787 CA PRO A 52 -0.909 -12.282 5.478 1.00 0.00 C ATOM 788 C PRO A 52 -0.105 -12.369 4.184 1.00 0.00 C ATOM 789 O PRO A 52 0.683 -13.295 3.994 1.00 0.00 O ATOM 790 CB PRO A 52 -0.259 -13.130 6.579 1.00 0.00 C ATOM 791 CG PRO A 52 -1.382 -13.816 7.287 1.00 0.00 C ATOM 792 CD PRO A 52 -2.517 -13.954 6.276 1.00 0.00 C ATOM 0 HA PRO A 52 -0.944 -11.220 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.435 -13.855 6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.312 -12.506 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.069 -14.794 7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.704 -13.239 8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.493 -14.923 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.492 -13.866 6.754 1.00 0.00 H new ATOM 800 N ALA A 53 -0.304 -11.395 3.300 1.00 0.00 N ATOM 801 CA ALA A 53 0.416 -11.375 2.033 1.00 0.00 C ATOM 802 C ALA A 53 1.892 -11.667 2.268 1.00 0.00 C ATOM 803 O ALA A 53 2.612 -12.070 1.353 1.00 0.00 O ATOM 804 CB ALA A 53 0.262 -10.007 1.365 1.00 0.00 C ATOM 0 H ALA A 53 -0.951 -10.618 3.436 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.001 -12.141 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.803 -10.001 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.794 -9.809 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.667 -9.235 2.019 1.00 0.00 H new ATOM 810 N LYS A 54 2.333 -11.467 3.505 1.00 0.00 N ATOM 811 CA LYS A 54 3.722 -11.716 3.863 1.00 0.00 C ATOM 812 C LYS A 54 4.069 -13.182 3.622 1.00 0.00 C ATOM 813 O LYS A 54 5.240 -13.559 3.596 1.00 0.00 O ATOM 814 CB LYS A 54 3.946 -11.356 5.338 1.00 0.00 C ATOM 815 CG LYS A 54 4.962 -12.313 5.968 1.00 0.00 C ATOM 816 CD LYS A 54 5.303 -11.840 7.382 1.00 0.00 C ATOM 817 CE LYS A 54 6.684 -12.367 7.773 1.00 0.00 C ATOM 818 NZ LYS A 54 7.159 -11.658 8.992 1.00 0.00 N ATOM 0 H LYS A 54 1.750 -11.134 4.273 1.00 0.00 H new ATOM 0 HA LYS A 54 4.369 -11.097 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.304 -10.330 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.002 -11.408 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.554 -13.323 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.865 -12.353 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.291 -10.751 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.552 -12.196 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.636 -13.440 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.388 -12.216 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.196 -11.589 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.749 -10.703 9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.864 -12.186 9.838 1.00 0.00 H new ATOM 832 N LEU A 55 3.039 -14.002 3.445 1.00 0.00 N ATOM 833 CA LEU A 55 3.241 -15.426 3.206 1.00 0.00 C ATOM 834 C LEU A 55 3.678 -15.672 1.766 1.00 0.00 C ATOM 835 O LEU A 55 4.131 -16.764 1.423 1.00 0.00 O ATOM 836 CB LEU A 55 1.945 -16.190 3.480 1.00 0.00 C ATOM 837 CG LEU A 55 1.677 -16.223 4.985 1.00 0.00 C ATOM 838 CD1 LEU A 55 0.179 -16.404 5.231 1.00 0.00 C ATOM 839 CD2 LEU A 55 2.440 -17.391 5.614 1.00 0.00 C ATOM 0 H LEU A 55 2.062 -13.708 3.462 1.00 0.00 H new ATOM 0 HA LEU A 55 4.023 -15.779 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.113 -15.712 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.021 -17.206 3.092 1.00 0.00 H new ATOM 0 HG LEU A 55 2.010 -15.287 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.013 -16.428 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.366 -15.573 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.153 -17.340 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.249 -17.415 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.107 -18.327 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.508 -17.264 5.438 1.00 0.00 H new ATOM 851 N ARG A 56 3.536 -14.651 0.928 1.00 0.00 N ATOM 852 CA ARG A 56 3.918 -14.773 -0.473 1.00 0.00 C ATOM 853 C ARG A 56 5.103 -13.867 -0.794 1.00 0.00 C ATOM 854 O ARG A 56 5.319 -13.499 -1.949 1.00 0.00 O ATOM 855 CB ARG A 56 2.733 -14.409 -1.371 1.00 0.00 C ATOM 856 CG ARG A 56 1.436 -14.486 -0.564 1.00 0.00 C ATOM 857 CD ARG A 56 0.246 -14.198 -1.481 1.00 0.00 C ATOM 858 NE ARG A 56 -0.099 -15.390 -2.249 1.00 0.00 N ATOM 859 CZ ARG A 56 -1.144 -15.399 -3.071 1.00 0.00 C ATOM 860 NH1 ARG A 56 -1.877 -14.329 -3.207 1.00 0.00 N ATOM 861 NH2 ARG A 56 -1.434 -16.479 -3.744 1.00 0.00 N ATOM 0 H ARG A 56 3.163 -13.739 1.191 1.00 0.00 H new ATOM 0 HA ARG A 56 4.211 -15.806 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.864 -13.405 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.685 -15.089 -2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.332 -15.474 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.461 -13.766 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.611 -13.878 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.489 -13.378 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 56 0.471 -16.230 -2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.649 -13.484 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.679 -14.337 -3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.859 -17.315 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.235 -16.487 -4.375 1.00 0.00 H new ATOM 875 N HIS A 57 5.872 -13.515 0.231 1.00 0.00 N ATOM 876 CA HIS A 57 7.037 -12.656 0.036 1.00 0.00 C ATOM 877 C HIS A 57 7.754 -12.401 1.356 1.00 0.00 C ATOM 878 O HIS A 57 7.486 -13.058 2.362 1.00 0.00 O ATOM 879 CB HIS A 57 6.607 -11.317 -0.573 1.00 0.00 C ATOM 880 CG HIS A 57 7.446 -11.020 -1.788 1.00 0.00 C ATOM 881 ND1 HIS A 57 6.980 -11.228 -3.076 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.722 -10.531 -1.923 1.00 0.00 C ATOM 883 CE1 HIS A 57 7.961 -10.869 -3.924 1.00 0.00 C ATOM 884 NE2 HIS A 57 9.045 -10.437 -3.274 1.00 0.00 N ATOM 0 H HIS A 57 5.713 -13.807 1.195 1.00 0.00 H new ATOM 0 HA HIS A 57 7.721 -13.166 -0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.553 -11.353 -0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.718 -10.520 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.375 -10.261 -1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.882 -10.924 -5.000 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.921 -10.109 -3.680 1.00 0.00 H new ATOM 892 N GLU A 58 8.665 -11.436 1.338 1.00 0.00 N ATOM 893 CA GLU A 58 9.426 -11.083 2.531 1.00 0.00 C ATOM 894 C GLU A 58 9.171 -9.628 2.905 1.00 0.00 C ATOM 895 O GLU A 58 9.143 -9.272 4.084 1.00 0.00 O ATOM 896 CB GLU A 58 10.920 -11.292 2.278 1.00 0.00 C ATOM 897 CG GLU A 58 11.551 -11.983 3.489 1.00 0.00 C ATOM 898 CD GLU A 58 13.056 -12.125 3.280 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.756 -11.145 3.467 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.484 -13.215 2.935 1.00 0.00 O ATOM 0 H GLU A 58 8.895 -10.884 0.512 1.00 0.00 H new ATOM 0 HA GLU A 58 9.106 -11.724 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.067 -11.897 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.407 -10.333 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.353 -11.406 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.101 -12.965 3.634 1.00 0.00 H new ATOM 907 N GLN A 59 8.978 -8.794 1.890 1.00 0.00 N ATOM 908 CA GLN A 59 8.716 -7.378 2.114 1.00 0.00 C ATOM 909 C GLN A 59 7.287 -7.043 1.705 1.00 0.00 C ATOM 910 O GLN A 59 6.827 -7.448 0.636 1.00 0.00 O ATOM 911 CB GLN A 59 9.698 -6.532 1.301 1.00 0.00 C ATOM 912 CG GLN A 59 9.606 -5.073 1.747 1.00 0.00 C ATOM 913 CD GLN A 59 10.284 -4.171 0.719 1.00 0.00 C ATOM 914 OE1 GLN A 59 9.729 -3.142 0.336 1.00 0.00 O ATOM 915 NE2 GLN A 59 11.455 -4.499 0.248 1.00 0.00 N ATOM 0 H GLN A 59 8.998 -9.072 0.909 1.00 0.00 H new ATOM 0 HA GLN A 59 8.845 -7.157 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.714 -6.902 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.471 -6.613 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.561 -4.785 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.081 -4.951 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.912 -5.353 0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.914 -3.902 -0.440 1.00 0.00 H new ATOM 924 N ILE A 60 6.584 -6.312 2.562 1.00 0.00 N ATOM 925 CA ILE A 60 5.204 -5.946 2.275 1.00 0.00 C ATOM 926 C ILE A 60 4.962 -4.465 2.550 1.00 0.00 C ATOM 927 O ILE A 60 5.139 -3.994 3.674 1.00 0.00 O ATOM 928 CB ILE A 60 4.261 -6.787 3.132 1.00 0.00 C ATOM 929 CG1 ILE A 60 4.919 -8.136 3.437 1.00 0.00 C ATOM 930 CG2 ILE A 60 2.954 -7.023 2.375 1.00 0.00 C ATOM 931 CD1 ILE A 60 5.846 -7.992 4.645 1.00 0.00 C ATOM 0 H ILE A 60 6.942 -5.965 3.452 1.00 0.00 H new ATOM 0 HA ILE A 60 5.011 -6.136 1.219 1.00 0.00 H new ATOM 0 HB ILE A 60 4.052 -6.261 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.156 -8.887 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.484 -8.481 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.282 -7.623 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.484 -6.065 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.163 -7.549 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.314 -8.953 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.617 -7.254 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.268 -7.667 5.510 1.00 0.00 H new ATOM 943 N ILE A 61 4.552 -3.739 1.515 1.00 0.00 N ATOM 944 CA ILE A 61 4.280 -2.313 1.650 1.00 0.00 C ATOM 945 C ILE A 61 2.800 -2.034 1.406 1.00 0.00 C ATOM 946 O ILE A 61 2.147 -2.735 0.632 1.00 0.00 O ATOM 947 CB ILE A 61 5.122 -1.522 0.649 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.518 -2.143 0.553 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.243 -0.070 1.117 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.335 -1.397 -0.504 1.00 0.00 C ATOM 0 H ILE A 61 4.401 -4.113 0.578 1.00 0.00 H new ATOM 0 HA ILE A 61 4.540 -2.003 2.662 1.00 0.00 H new ATOM 0 HB ILE A 61 4.642 -1.550 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.019 -2.090 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.441 -3.198 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.843 0.494 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.250 0.374 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.722 -0.042 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.329 -1.838 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.836 -1.473 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.422 -0.348 -0.222 1.00 0.00 H new ATOM 962 N PHE A 62 2.274 -1.009 2.068 1.00 0.00 N ATOM 963 CA PHE A 62 0.867 -0.656 1.910 1.00 0.00 C ATOM 964 C PHE A 62 0.718 0.833 1.620 1.00 0.00 C ATOM 965 O PHE A 62 1.548 1.641 2.039 1.00 0.00 O ATOM 966 CB PHE A 62 0.094 -1.014 3.179 1.00 0.00 C ATOM 967 CG PHE A 62 0.122 -2.510 3.381 1.00 0.00 C ATOM 968 CD1 PHE A 62 1.314 -3.145 3.749 1.00 0.00 C ATOM 969 CD2 PHE A 62 -1.045 -3.263 3.202 1.00 0.00 C ATOM 970 CE1 PHE A 62 1.340 -4.531 3.938 1.00 0.00 C ATOM 971 CE2 PHE A 62 -1.019 -4.651 3.391 1.00 0.00 C ATOM 972 CZ PHE A 62 0.174 -5.284 3.759 1.00 0.00 C ATOM 0 H PHE A 62 2.794 -0.413 2.713 1.00 0.00 H new ATOM 0 HA PHE A 62 0.462 -1.219 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.535 -0.512 4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.936 -0.666 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.214 -2.565 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.965 -2.774 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.260 -5.020 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.919 -5.232 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.195 -6.354 3.905 1.00 0.00 H new ATOM 982 N HIS A 63 -0.342 1.191 0.901 1.00 0.00 N ATOM 983 CA HIS A 63 -0.583 2.589 0.564 1.00 0.00 C ATOM 984 C HIS A 63 -2.067 2.839 0.319 1.00 0.00 C ATOM 985 O HIS A 63 -2.729 2.077 -0.387 1.00 0.00 O ATOM 986 CB HIS A 63 0.209 2.966 -0.688 1.00 0.00 C ATOM 987 CG HIS A 63 0.047 1.889 -1.726 1.00 0.00 C ATOM 988 ND1 HIS A 63 0.287 0.554 -1.447 1.00 0.00 N ATOM 989 CD2 HIS A 63 -0.331 1.935 -3.046 1.00 0.00 C ATOM 990 CE1 HIS A 63 0.054 -0.145 -2.573 1.00 0.00 C ATOM 991 NE2 HIS A 63 -0.327 0.649 -3.578 1.00 0.00 N ATOM 0 H HIS A 63 -1.041 0.539 0.544 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.258 3.204 1.403 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.143 3.920 -1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.263 3.092 -0.441 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.591 2.832 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.162 -1.217 -2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.564 0.372 -4.531 1.00 0.00 H new ATOM 999 N CYS A 64 -2.580 3.916 0.903 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.985 4.269 0.742 1.00 0.00 C ATOM 1001 C CYS A 64 -4.122 5.606 0.024 1.00 0.00 C ATOM 1002 O CYS A 64 -3.214 6.435 0.055 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.680 4.342 2.102 1.00 0.00 C ATOM 1004 SG CYS A 64 -4.616 6.038 2.728 1.00 0.00 S ATOM 0 H CYS A 64 -2.046 4.557 1.490 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.461 3.494 0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.716 4.017 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -4.195 3.666 2.806 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.807 6.557 2.697 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.262 5.798 -0.626 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.526 7.034 -1.362 1.00 0.00 C ATOM 1012 C GLN A 65 -4.668 8.183 -0.835 1.00 0.00 C ATOM 1013 O GLN A 65 -3.879 8.768 -1.579 1.00 0.00 O ATOM 1014 CB GLN A 65 -7.005 7.405 -1.241 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.322 8.558 -2.196 1.00 0.00 C ATOM 1016 CD GLN A 65 -6.749 9.862 -1.649 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -5.611 10.216 -1.954 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -7.475 10.601 -0.856 1.00 0.00 N ATOM 0 H GLN A 65 -6.020 5.116 -0.661 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.272 6.865 -2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.628 6.542 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.236 7.694 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.902 8.351 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.401 8.650 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.418 10.305 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.099 11.475 -0.487 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.829 8.507 0.444 1.00 0.00 N ATOM 1028 CA ALA A 66 -4.064 9.596 1.047 1.00 0.00 C ATOM 1029 C ALA A 66 -3.129 9.071 2.133 1.00 0.00 C ATOM 1030 O ALA A 66 -2.690 9.822 3.003 1.00 0.00 O ATOM 1031 CB ALA A 66 -5.017 10.630 1.650 1.00 0.00 C ATOM 0 H ALA A 66 -5.475 8.037 1.079 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.463 10.062 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.440 11.439 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.660 11.033 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.631 10.156 2.415 1.00 0.00 H new ATOM 1037 N GLY A 67 -2.829 7.779 2.076 1.00 0.00 N ATOM 1038 CA GLY A 67 -1.944 7.166 3.061 1.00 0.00 C ATOM 1039 C GLY A 67 -2.553 7.233 4.458 1.00 0.00 C ATOM 1040 O GLY A 67 -1.911 6.873 5.444 1.00 0.00 O ATOM 0 H GLY A 67 -3.182 7.139 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.758 6.127 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.980 7.675 3.056 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.796 7.697 4.532 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.483 7.808 5.814 1.00 0.00 C ATOM 1046 C LYS A 68 -4.824 6.426 6.362 1.00 0.00 C ATOM 1047 O LYS A 68 -4.419 6.069 7.469 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.764 8.626 5.648 1.00 0.00 C ATOM 1049 CG LYS A 68 -5.830 9.702 6.734 1.00 0.00 C ATOM 1050 CD LYS A 68 -4.803 10.797 6.433 1.00 0.00 C ATOM 1051 CE LYS A 68 -5.528 12.080 6.023 1.00 0.00 C ATOM 1052 NZ LYS A 68 -6.366 11.813 4.819 1.00 0.00 N ATOM 0 H LYS A 68 -4.344 8.000 3.727 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.820 8.310 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.787 9.089 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.635 7.974 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.832 10.130 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.631 9.261 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.185 10.981 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.135 10.474 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.152 12.436 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.805 12.867 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.555 12.707 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.862 11.163 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.266 11.382 5.111 1.00 0.00 H new ATOM 1066 N ARG A 69 -5.571 5.650 5.583 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.958 4.308 6.005 1.00 0.00 C ATOM 1068 C ARG A 69 -4.723 3.437 6.221 1.00 0.00 C ATOM 1069 O ARG A 69 -4.769 2.452 6.958 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.858 3.667 4.945 1.00 0.00 C ATOM 1071 CG ARG A 69 -8.086 3.049 5.619 1.00 0.00 C ATOM 1072 CD ARG A 69 -8.967 2.378 4.562 1.00 0.00 C ATOM 1073 NE ARG A 69 -9.934 3.331 4.031 1.00 0.00 N ATOM 1074 CZ ARG A 69 -10.920 2.937 3.232 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -11.040 1.678 2.912 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -11.771 3.813 2.769 1.00 0.00 N ATOM 0 H ARG A 69 -5.918 5.924 4.664 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.503 4.386 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.169 4.416 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.306 2.901 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.775 2.318 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.652 3.819 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.346 1.991 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.488 1.527 5.000 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.852 4.317 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.376 0.994 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.798 1.378 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.678 4.797 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.529 3.513 2.156 1.00 0.00 H new ATOM 1090 N THR A 70 -3.623 3.807 5.575 1.00 0.00 N ATOM 1091 CA THR A 70 -2.380 3.053 5.703 1.00 0.00 C ATOM 1092 C THR A 70 -1.864 3.110 7.137 1.00 0.00 C ATOM 1093 O THR A 70 -1.708 2.079 7.792 1.00 0.00 O ATOM 1094 CB THR A 70 -1.323 3.627 4.757 1.00 0.00 C ATOM 1095 OG1 THR A 70 -1.807 3.578 3.422 1.00 0.00 O ATOM 1096 CG2 THR A 70 -0.037 2.806 4.866 1.00 0.00 C ATOM 0 H THR A 70 -3.566 4.619 4.961 1.00 0.00 H new ATOM 0 HA THR A 70 -2.578 2.014 5.441 1.00 0.00 H new ATOM 0 HB THR A 70 -1.115 4.661 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.693 2.672 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.715 3.216 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.334 2.845 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.242 1.771 4.594 1.00 0.00 H new ATOM 1104 N SER A 71 -1.597 4.319 7.616 1.00 0.00 N ATOM 1105 CA SER A 71 -1.095 4.500 8.974 1.00 0.00 C ATOM 1106 C SER A 71 -2.054 3.888 9.991 1.00 0.00 C ATOM 1107 O SER A 71 -1.673 3.620 11.132 1.00 0.00 O ATOM 1108 CB SER A 71 -0.916 5.989 9.268 1.00 0.00 C ATOM 1109 OG SER A 71 -2.061 6.474 9.956 1.00 0.00 O ATOM 0 H SER A 71 -1.718 5.184 7.089 1.00 0.00 H new ATOM 0 HA SER A 71 -0.133 3.995 9.055 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.022 6.147 9.871 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.776 6.540 8.338 1.00 0.00 H new ATOM 0 HG SER A 71 -1.948 7.428 10.147 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.295 3.666 9.573 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.297 3.084 10.459 1.00 0.00 C ATOM 1117 C ASN A 72 -4.123 1.571 10.541 1.00 0.00 C ATOM 1118 O ASN A 72 -4.182 0.988 11.624 1.00 0.00 O ATOM 1119 CB ASN A 72 -5.703 3.411 9.952 1.00 0.00 C ATOM 1120 CG ASN A 72 -6.640 3.646 11.133 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -6.270 4.321 12.094 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -7.838 3.129 11.118 1.00 0.00 N ATOM 0 H ASN A 72 -3.630 3.878 8.633 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.164 3.510 11.453 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.673 4.297 9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.077 2.592 9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.470 3.284 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.142 2.570 10.321 1.00 0.00 H new ATOM 1129 N ASN A 73 -3.909 0.940 9.392 1.00 0.00 N ATOM 1130 CA ASN A 73 -3.727 -0.506 9.350 1.00 0.00 C ATOM 1131 C ASN A 73 -2.272 -0.867 9.627 1.00 0.00 C ATOM 1132 O ASN A 73 -1.957 -2.013 9.947 1.00 0.00 O ATOM 1133 CB ASN A 73 -4.137 -1.047 7.979 1.00 0.00 C ATOM 1134 CG ASN A 73 -4.751 -2.435 8.129 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -5.477 -2.693 9.089 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -4.500 -3.349 7.232 1.00 0.00 N ATOM 0 H ASN A 73 -3.858 1.402 8.484 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.356 -0.956 10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.854 -0.372 7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.268 -1.094 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.906 -4.280 7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.898 -3.132 6.438 1.00 0.00 H new ATOM 1143 N ALA A 74 -1.390 0.120 9.504 1.00 0.00 N ATOM 1144 CA ALA A 74 0.029 -0.107 9.747 1.00 0.00 C ATOM 1145 C ALA A 74 0.229 -0.888 11.041 1.00 0.00 C ATOM 1146 O ALA A 74 1.223 -1.596 11.203 1.00 0.00 O ATOM 1147 CB ALA A 74 0.763 1.231 9.838 1.00 0.00 C ATOM 0 H ALA A 74 -1.630 1.076 9.240 1.00 0.00 H new ATOM 0 HA ALA A 74 0.434 -0.687 8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.823 1.053 10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.642 1.777 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.348 1.819 10.657 1.00 0.00 H new ATOM 1153 N ASP A 75 -0.723 -0.752 11.958 1.00 0.00 N ATOM 1154 CA ASP A 75 -0.642 -1.449 13.236 1.00 0.00 C ATOM 1155 C ASP A 75 -1.205 -2.862 13.116 1.00 0.00 C ATOM 1156 O ASP A 75 -0.684 -3.801 13.718 1.00 0.00 O ATOM 1157 CB ASP A 75 -1.420 -0.676 14.302 1.00 0.00 C ATOM 1158 CG ASP A 75 -1.067 0.806 14.229 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -0.715 1.259 13.153 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -1.154 1.465 15.252 1.00 0.00 O ATOM 0 H ASP A 75 -1.553 -0.171 11.842 1.00 0.00 H new ATOM 0 HA ASP A 75 0.407 -1.513 13.526 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.491 -0.811 14.153 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.184 -1.067 15.292 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.272 -3.006 12.336 1.00 0.00 N ATOM 1166 CA LYS A 76 -2.895 -4.312 12.147 1.00 0.00 C ATOM 1167 C LYS A 76 -2.086 -5.156 11.168 1.00 0.00 C ATOM 1168 O LYS A 76 -2.093 -6.384 11.240 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.321 -4.137 11.617 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.299 -4.060 12.792 1.00 0.00 C ATOM 1171 CD LYS A 76 -5.900 -5.444 13.049 1.00 0.00 C ATOM 1172 CE LYS A 76 -7.055 -5.323 14.045 1.00 0.00 C ATOM 1173 NZ LYS A 76 -6.583 -5.712 15.403 1.00 0.00 N ATOM 0 H LYS A 76 -2.720 -2.243 11.829 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.924 -4.823 13.109 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.388 -3.231 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.583 -4.971 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.784 -3.704 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.091 -3.343 12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.256 -5.877 12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.137 -6.116 13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.432 -4.300 14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.882 -5.963 13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.368 -5.630 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.243 -6.695 15.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.807 -5.083 15.694 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.390 -4.487 10.256 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.579 -5.186 9.266 1.00 0.00 C ATOM 1189 C LEU A 77 0.616 -5.863 9.930 1.00 0.00 C ATOM 1190 O LEU A 77 0.828 -7.065 9.767 1.00 0.00 O ATOM 1191 CB LEU A 77 -0.090 -4.201 8.203 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.291 -3.651 7.433 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -0.833 -2.526 6.504 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -1.920 -4.773 6.604 1.00 0.00 C ATOM 0 H LEU A 77 -1.370 -3.470 10.181 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.195 -5.951 8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.460 -3.385 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.598 -4.698 7.519 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.026 -3.261 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.690 -2.135 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.384 -1.727 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.097 -2.913 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.777 -4.383 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.184 -5.162 5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.248 -5.574 7.266 1.00 0.00 H new ATOM 1206 N ALA A 78 1.392 -5.088 10.679 1.00 0.00 N ATOM 1207 CA ALA A 78 2.559 -5.630 11.363 1.00 0.00 C ATOM 1208 C ALA A 78 2.210 -6.950 12.040 1.00 0.00 C ATOM 1209 O ALA A 78 2.834 -7.978 11.777 1.00 0.00 O ATOM 1210 CB ALA A 78 3.063 -4.636 12.408 1.00 0.00 C ATOM 0 H ALA A 78 1.236 -4.091 10.827 1.00 0.00 H new ATOM 0 HA ALA A 78 3.342 -5.805 10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.935 -5.050 12.914 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.337 -3.701 11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.277 -4.446 13.138 1.00 0.00 H new ATOM 1216 N ALA A 79 1.204 -6.915 12.908 1.00 0.00 N ATOM 1217 CA ALA A 79 0.780 -8.120 13.608 1.00 0.00 C ATOM 1218 C ALA A 79 0.510 -9.235 12.607 1.00 0.00 C ATOM 1219 O ALA A 79 0.779 -10.407 12.875 1.00 0.00 O ATOM 1220 CB ALA A 79 -0.484 -7.842 14.424 1.00 0.00 C ATOM 0 H ALA A 79 0.673 -6.076 13.141 1.00 0.00 H new ATOM 0 HA ALA A 79 1.577 -8.429 14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.790 -8.751 14.942 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.281 -7.059 15.154 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.283 -7.518 13.758 1.00 0.00 H new ATOM 1226 N ILE A 80 -0.018 -8.860 11.446 1.00 0.00 N ATOM 1227 CA ILE A 80 -0.314 -9.831 10.402 1.00 0.00 C ATOM 1228 C ILE A 80 0.966 -10.224 9.672 1.00 0.00 C ATOM 1229 O ILE A 80 1.020 -11.253 8.998 1.00 0.00 O ATOM 1230 CB ILE A 80 -1.317 -9.241 9.410 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.724 -9.316 10.008 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -1.274 -10.037 8.106 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.720 -8.650 9.056 1.00 0.00 C ATOM 0 H ILE A 80 -0.248 -7.896 11.206 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.746 -10.720 10.861 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.061 -8.201 9.207 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.004 -10.356 10.175 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.745 -8.820 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.989 -9.616 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.271 -9.986 7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.531 -11.077 8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.722 -8.703 9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.442 -7.606 8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.706 -9.166 8.096 1.00 0.00 H new ATOM 1245 N ALA A 81 1.996 -9.396 9.819 1.00 0.00 N ATOM 1246 CA ALA A 81 3.279 -9.659 9.184 1.00 0.00 C ATOM 1247 C ALA A 81 4.382 -9.711 10.237 1.00 0.00 C ATOM 1248 O ALA A 81 4.848 -8.676 10.711 1.00 0.00 O ATOM 1249 CB ALA A 81 3.594 -8.565 8.161 1.00 0.00 C ATOM 0 H ALA A 81 1.965 -8.539 10.372 1.00 0.00 H new ATOM 0 HA ALA A 81 3.226 -10.620 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.556 -8.772 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.815 -8.545 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.635 -7.598 8.663 1.00 0.00 H new ATOM 1255 N ALA A 82 4.786 -10.924 10.602 1.00 0.00 N ATOM 1256 CA ALA A 82 5.830 -11.103 11.605 1.00 0.00 C ATOM 1257 C ALA A 82 6.924 -10.065 11.426 1.00 0.00 C ATOM 1258 O ALA A 82 6.940 -9.330 10.440 1.00 0.00 O ATOM 1259 CB ALA A 82 6.423 -12.510 11.500 1.00 0.00 C ATOM 0 H ALA A 82 4.409 -11.792 10.221 1.00 0.00 H new ATOM 0 HA ALA A 82 5.387 -10.975 12.593 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.201 -12.634 12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.638 -13.249 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.852 -12.651 10.508 1.00 0.00 H new ATOM 1265 N PRO A 83 7.826 -9.988 12.364 1.00 0.00 N ATOM 1266 CA PRO A 83 8.946 -9.010 12.325 1.00 0.00 C ATOM 1267 C PRO A 83 9.694 -9.033 10.993 1.00 0.00 C ATOM 1268 O PRO A 83 10.868 -9.398 10.935 1.00 0.00 O ATOM 1269 CB PRO A 83 9.861 -9.441 13.471 1.00 0.00 C ATOM 1270 CG PRO A 83 9.010 -10.243 14.399 1.00 0.00 C ATOM 1271 CD PRO A 83 7.869 -10.832 13.570 1.00 0.00 C ATOM 0 HA PRO A 83 8.586 -7.986 12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.698 -10.032 13.100 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.283 -8.575 13.980 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.593 -11.035 14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.619 -9.617 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.057 -11.876 13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.924 -10.800 14.113 1.00 0.00 H new ATOM 1279 N ALA A 84 9.007 -8.632 9.929 1.00 0.00 N ATOM 1280 CA ALA A 84 9.613 -8.601 8.603 1.00 0.00 C ATOM 1281 C ALA A 84 9.936 -7.165 8.207 1.00 0.00 C ATOM 1282 O ALA A 84 9.887 -6.259 9.037 1.00 0.00 O ATOM 1283 CB ALA A 84 8.654 -9.212 7.579 1.00 0.00 C ATOM 0 H ALA A 84 8.035 -8.325 9.958 1.00 0.00 H new ATOM 0 HA ALA A 84 10.536 -9.181 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.112 -9.186 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.440 -10.245 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.726 -8.641 7.564 1.00 0.00 H new ATOM 1289 N GLU A 85 10.260 -6.962 6.935 1.00 0.00 N ATOM 1290 CA GLU A 85 10.580 -5.626 6.448 1.00 0.00 C ATOM 1291 C GLU A 85 9.330 -4.954 5.892 1.00 0.00 C ATOM 1292 O GLU A 85 8.937 -5.201 4.752 1.00 0.00 O ATOM 1293 CB GLU A 85 11.652 -5.706 5.356 1.00 0.00 C ATOM 1294 CG GLU A 85 11.849 -7.166 4.941 1.00 0.00 C ATOM 1295 CD GLU A 85 12.952 -7.266 3.893 1.00 0.00 C ATOM 1296 OE1 GLU A 85 12.898 -6.517 2.930 1.00 0.00 O ATOM 1297 OE2 GLU A 85 13.834 -8.090 4.068 1.00 0.00 O ATOM 0 H GLU A 85 10.308 -7.697 6.229 1.00 0.00 H new ATOM 0 HA GLU A 85 10.961 -5.035 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.354 -5.109 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.591 -5.291 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.108 -7.768 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.918 -7.568 4.541 1.00 0.00 H new ATOM 1304 N ILE A 86 8.705 -4.107 6.703 1.00 0.00 N ATOM 1305 CA ILE A 86 7.498 -3.414 6.277 1.00 0.00 C ATOM 1306 C ILE A 86 7.766 -1.923 6.117 1.00 0.00 C ATOM 1307 O ILE A 86 8.413 -1.302 6.961 1.00 0.00 O ATOM 1308 CB ILE A 86 6.379 -3.629 7.297 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.642 -4.919 8.074 1.00 0.00 C ATOM 1310 CG2 ILE A 86 5.038 -3.740 6.568 1.00 0.00 C ATOM 1311 CD1 ILE A 86 5.446 -5.217 8.978 1.00 0.00 C ATOM 0 H ILE A 86 9.012 -3.886 7.650 1.00 0.00 H new ATOM 0 HA ILE A 86 7.190 -3.822 5.314 1.00 0.00 H new ATOM 0 HB ILE A 86 6.349 -2.786 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.805 -5.746 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.548 -4.819 8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.240 -3.893 7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.850 -2.822 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.067 -4.584 5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.630 -6.136 9.534 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.304 -4.393 9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.550 -5.335 8.369 1.00 0.00 H new ATOM 1323 N PHE A 87 7.264 -1.356 5.028 1.00 0.00 N ATOM 1324 CA PHE A 87 7.453 0.065 4.761 1.00 0.00 C ATOM 1325 C PHE A 87 6.104 0.747 4.561 1.00 0.00 C ATOM 1326 O PHE A 87 5.077 0.081 4.430 1.00 0.00 O ATOM 1327 CB PHE A 87 8.319 0.253 3.515 1.00 0.00 C ATOM 1328 CG PHE A 87 9.693 -0.321 3.765 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.538 0.275 4.709 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.122 -1.447 3.053 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.813 -0.256 4.941 1.00 0.00 C ATOM 1332 CE2 PHE A 87 11.397 -1.978 3.285 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.242 -1.382 4.229 1.00 0.00 C ATOM 0 H PHE A 87 6.726 -1.854 4.319 1.00 0.00 H new ATOM 0 HA PHE A 87 7.955 0.518 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.857 -0.241 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.395 1.312 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.207 1.144 5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.470 -1.906 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.465 0.203 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.728 -2.847 2.736 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.225 -1.791 4.408 1.00 0.00 H new ATOM 1343 N LEU A 88 6.110 2.075 4.540 1.00 0.00 N ATOM 1344 CA LEU A 88 4.870 2.823 4.358 1.00 0.00 C ATOM 1345 C LEU A 88 5.073 3.987 3.395 1.00 0.00 C ATOM 1346 O LEU A 88 6.040 4.741 3.510 1.00 0.00 O ATOM 1347 CB LEU A 88 4.375 3.355 5.704 1.00 0.00 C ATOM 1348 CG LEU A 88 4.196 2.192 6.682 1.00 0.00 C ATOM 1349 CD1 LEU A 88 4.068 2.739 8.105 1.00 0.00 C ATOM 1350 CD2 LEU A 88 2.931 1.413 6.320 1.00 0.00 C ATOM 0 H LEU A 88 6.946 2.650 4.645 1.00 0.00 H new ATOM 0 HA LEU A 88 4.126 2.147 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.088 4.075 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.430 3.882 5.573 1.00 0.00 H new ATOM 0 HG LEU A 88 5.060 1.530 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.940 1.911 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.969 3.296 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.203 3.400 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.802 0.584 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.067 2.074 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.021 1.024 5.306 1.00 0.00 H new ATOM 1362 N LEU A 89 4.152 4.129 2.448 1.00 0.00 N ATOM 1363 CA LEU A 89 4.236 5.208 1.472 1.00 0.00 C ATOM 1364 C LEU A 89 3.525 6.456 1.989 1.00 0.00 C ATOM 1365 O LEU A 89 2.299 6.551 1.933 1.00 0.00 O ATOM 1366 CB LEU A 89 3.598 4.768 0.153 1.00 0.00 C ATOM 1367 CG LEU A 89 3.936 5.779 -0.942 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.281 5.037 -2.235 1.00 0.00 C ATOM 1369 CD2 LEU A 89 2.730 6.689 -1.184 1.00 0.00 C ATOM 0 H LEU A 89 3.345 3.516 2.336 1.00 0.00 H new ATOM 0 HA LEU A 89 5.288 5.443 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.961 3.779 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.517 4.690 0.269 1.00 0.00 H new ATOM 0 HG LEU A 89 4.790 6.380 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.522 5.759 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.139 4.388 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.428 4.435 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.970 7.411 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.877 6.087 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.483 7.219 -0.264 1.00 0.00 H new ATOM 1381 N GLU A 90 4.301 7.409 2.492 1.00 0.00 N ATOM 1382 CA GLU A 90 3.731 8.647 3.015 1.00 0.00 C ATOM 1383 C GLU A 90 2.978 9.391 1.918 1.00 0.00 C ATOM 1384 O GLU A 90 3.328 9.304 0.741 1.00 0.00 O ATOM 1385 CB GLU A 90 4.839 9.541 3.575 1.00 0.00 C ATOM 1386 CG GLU A 90 4.256 10.906 3.946 1.00 0.00 C ATOM 1387 CD GLU A 90 5.344 11.800 4.531 1.00 0.00 C ATOM 1388 OE1 GLU A 90 6.440 11.306 4.739 1.00 0.00 O ATOM 1389 OE2 GLU A 90 5.067 12.966 4.760 1.00 0.00 O ATOM 0 H GLU A 90 5.318 7.351 2.549 1.00 0.00 H new ATOM 0 HA GLU A 90 3.034 8.395 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.288 9.075 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.632 9.661 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.823 11.377 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.450 10.781 4.669 1.00 0.00 H new ATOM 1396 N ASP A 91 1.942 10.127 2.312 1.00 0.00 N ATOM 1397 CA ASP A 91 1.147 10.885 1.354 1.00 0.00 C ATOM 1398 C ASP A 91 0.185 9.966 0.608 1.00 0.00 C ATOM 1399 O ASP A 91 -0.995 10.281 0.455 1.00 0.00 O ATOM 1400 CB ASP A 91 2.066 11.584 0.350 1.00 0.00 C ATOM 1401 CG ASP A 91 1.373 12.818 -0.219 1.00 0.00 C ATOM 1402 OD1 ASP A 91 0.155 12.863 -0.175 1.00 0.00 O ATOM 1403 OD2 ASP A 91 2.072 13.701 -0.689 1.00 0.00 O ATOM 0 H ASP A 91 1.636 10.214 3.281 1.00 0.00 H new ATOM 0 HA ASP A 91 0.570 11.631 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.998 11.872 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.326 10.898 -0.456 1.00 0.00 H new ATOM 1408 N GLY A 92 0.696 8.830 0.147 1.00 0.00 N ATOM 1409 CA GLY A 92 -0.128 7.873 -0.582 1.00 0.00 C ATOM 1410 C GLY A 92 0.169 7.932 -2.076 1.00 0.00 C ATOM 1411 O GLY A 92 1.148 8.546 -2.498 1.00 0.00 O ATOM 0 H GLY A 92 1.670 8.550 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.059 6.866 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.182 8.087 -0.407 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.682 7.293 -2.872 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.494 7.288 -4.319 1.00 0.00 C ATOM 1417 C ILE A 93 -0.298 8.710 -4.832 1.00 0.00 C ATOM 1418 O ILE A 93 0.235 8.919 -5.921 1.00 0.00 O ATOM 1419 CB ILE A 93 -1.708 6.660 -5.005 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -1.707 7.043 -6.488 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -2.989 7.175 -4.349 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.782 6.243 -7.226 1.00 0.00 C ATOM 0 H ILE A 93 -1.499 6.778 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 93 0.394 6.700 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.661 5.575 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.895 8.111 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.728 6.845 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.854 6.727 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.990 6.906 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.038 8.259 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.780 6.517 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.574 5.177 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.759 6.464 -6.796 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.731 9.685 -4.037 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.595 11.084 -4.419 1.00 0.00 C ATOM 1436 C ASP A 94 0.872 11.426 -4.659 1.00 0.00 C ATOM 1437 O ASP A 94 1.194 12.276 -5.489 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.162 11.985 -3.322 1.00 0.00 C ATOM 1439 CG ASP A 94 -2.687 11.934 -3.346 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -3.219 10.954 -3.841 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -3.299 12.875 -2.869 1.00 0.00 O ATOM 0 H ASP A 94 -1.175 9.532 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.153 11.249 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.794 11.663 -2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.821 13.010 -3.469 1.00 0.00 H new ATOM 1446 N GLY A 95 1.756 10.751 -3.931 1.00 0.00 N ATOM 1447 CA GLY A 95 3.187 10.984 -4.077 1.00 0.00 C ATOM 1448 C GLY A 95 3.706 10.330 -5.353 1.00 0.00 C ATOM 1449 O GLY A 95 4.395 10.965 -6.151 1.00 0.00 O ATOM 0 H GLY A 95 1.508 10.044 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.386 12.055 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.717 10.582 -3.214 1.00 0.00 H new ATOM 1453 N TRP A 96 3.365 9.060 -5.538 1.00 0.00 N ATOM 1454 CA TRP A 96 3.794 8.330 -6.725 1.00 0.00 C ATOM 1455 C TRP A 96 3.437 9.113 -7.981 1.00 0.00 C ATOM 1456 O TRP A 96 4.208 9.156 -8.939 1.00 0.00 O ATOM 1457 CB TRP A 96 3.118 6.957 -6.761 1.00 0.00 C ATOM 1458 CG TRP A 96 3.201 6.386 -8.142 1.00 0.00 C ATOM 1459 CD1 TRP A 96 2.528 6.855 -9.217 1.00 0.00 C ATOM 1460 CD2 TRP A 96 3.982 5.249 -8.611 1.00 0.00 C ATOM 1461 NE1 TRP A 96 2.848 6.079 -10.317 1.00 0.00 N ATOM 1462 CE2 TRP A 96 3.740 5.076 -9.995 1.00 0.00 C ATOM 1463 CE3 TRP A 96 4.870 4.358 -7.979 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 4.355 4.059 -10.724 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 5.490 3.332 -8.710 1.00 0.00 C ATOM 1466 CH2 TRP A 96 5.233 3.183 -10.081 1.00 0.00 C ATOM 0 H TRP A 96 2.797 8.518 -4.887 1.00 0.00 H new ATOM 0 HA TRP A 96 4.875 8.198 -6.687 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.600 6.286 -6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.075 7.047 -6.457 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.852 7.697 -9.217 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.470 6.230 -11.252 1.00 0.00 H new ATOM 0 HE3 TRP A 96 5.076 4.464 -6.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 4.154 3.949 -11.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 6.169 2.654 -8.214 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.713 2.392 -10.639 1.00 0.00 H new ATOM 1477 N LYS A 97 2.266 9.737 -7.963 1.00 0.00 N ATOM 1478 CA LYS A 97 1.816 10.525 -9.104 1.00 0.00 C ATOM 1479 C LYS A 97 2.650 11.795 -9.232 1.00 0.00 C ATOM 1480 O LYS A 97 2.978 12.227 -10.337 1.00 0.00 O ATOM 1481 CB LYS A 97 0.342 10.897 -8.937 1.00 0.00 C ATOM 1482 CG LYS A 97 -0.014 12.009 -9.926 1.00 0.00 C ATOM 1483 CD LYS A 97 -1.527 12.030 -10.150 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.222 12.590 -8.907 1.00 0.00 C ATOM 1485 NZ LYS A 97 -3.113 13.719 -9.303 1.00 0.00 N ATOM 0 H LYS A 97 1.615 9.714 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 97 1.937 9.926 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.287 10.024 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.152 11.228 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.320 12.973 -9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.502 11.847 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.768 12.641 -11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.888 11.023 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.803 11.808 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.480 12.933 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.586 14.100 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.547 14.468 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.828 13.377 -9.976 1.00 0.00 H new ATOM 1499 N ARG A 98 2.993 12.387 -8.092 1.00 0.00 N ATOM 1500 CA ARG A 98 3.793 13.606 -8.086 1.00 0.00 C ATOM 1501 C ARG A 98 5.258 13.280 -8.344 1.00 0.00 C ATOM 1502 O ARG A 98 6.012 14.113 -8.848 1.00 0.00 O ATOM 1503 CB ARG A 98 3.657 14.314 -6.736 1.00 0.00 C ATOM 1504 CG ARG A 98 2.195 14.701 -6.505 1.00 0.00 C ATOM 1505 CD ARG A 98 1.926 16.073 -7.125 1.00 0.00 C ATOM 1506 NE ARG A 98 0.491 16.281 -7.287 1.00 0.00 N ATOM 1507 CZ ARG A 98 0.022 17.295 -8.005 1.00 0.00 C ATOM 1508 NH1 ARG A 98 0.848 18.126 -8.577 1.00 0.00 N ATOM 1509 NH2 ARG A 98 -1.265 17.460 -8.139 1.00 0.00 N ATOM 0 H ARG A 98 2.732 12.045 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 98 3.431 14.262 -8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.002 13.660 -5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.287 15.203 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.536 13.954 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.978 14.724 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.345 16.855 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.423 16.147 -8.092 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.163 15.637 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.854 17.997 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.488 18.905 -9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.912 16.810 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.625 18.239 -8.691 1.00 0.00 H new ATOM 1523 N ALA A 99 5.656 12.061 -7.997 1.00 0.00 N ATOM 1524 CA ALA A 99 7.034 11.630 -8.195 1.00 0.00 C ATOM 1525 C ALA A 99 7.384 11.622 -9.680 1.00 0.00 C ATOM 1526 O ALA A 99 8.536 11.402 -10.054 1.00 0.00 O ATOM 1527 CB ALA A 99 7.231 10.228 -7.614 1.00 0.00 C ATOM 0 H ALA A 99 5.047 11.357 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 99 7.692 12.331 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.263 9.913 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.009 10.242 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.561 9.529 -8.115 1.00 0.00 H new ATOM 1533 N GLY A 100 6.382 11.860 -10.520 1.00 0.00 N ATOM 1534 CA GLY A 100 6.594 11.876 -11.963 1.00 0.00 C ATOM 1535 C GLY A 100 6.245 10.526 -12.577 1.00 0.00 C ATOM 1536 O GLY A 100 6.653 10.219 -13.698 1.00 0.00 O ATOM 0 H GLY A 100 5.422 12.043 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.982 12.656 -12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.634 12.121 -12.179 1.00 0.00 H new ATOM 1540 N LEU A 101 5.488 9.725 -11.835 1.00 0.00 N ATOM 1541 CA LEU A 101 5.088 8.407 -12.315 1.00 0.00 C ATOM 1542 C LEU A 101 3.566 8.316 -12.426 1.00 0.00 C ATOM 1543 O LEU A 101 2.880 8.051 -11.440 1.00 0.00 O ATOM 1544 CB LEU A 101 5.597 7.329 -11.355 1.00 0.00 C ATOM 1545 CG LEU A 101 7.103 7.501 -11.151 1.00 0.00 C ATOM 1546 CD1 LEU A 101 7.631 6.372 -10.265 1.00 0.00 C ATOM 1547 CD2 LEU A 101 7.807 7.452 -12.509 1.00 0.00 C ATOM 0 H LEU A 101 5.141 9.963 -10.906 1.00 0.00 H new ATOM 0 HA LEU A 101 5.522 8.251 -13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.078 7.403 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.384 6.338 -11.757 1.00 0.00 H new ATOM 0 HG LEU A 101 7.298 8.460 -10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.704 6.495 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.128 6.403 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.437 5.412 -10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.881 7.574 -12.367 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.611 6.492 -12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.431 8.255 -13.143 1.00 0.00 H new ATOM 1559 N PRO A 102 3.032 8.535 -13.601 1.00 0.00 N ATOM 1560 CA PRO A 102 1.561 8.480 -13.839 1.00 0.00 C ATOM 1561 C PRO A 102 0.925 7.221 -13.253 1.00 0.00 C ATOM 1562 O PRO A 102 1.613 6.365 -12.698 1.00 0.00 O ATOM 1563 CB PRO A 102 1.435 8.493 -15.364 1.00 0.00 C ATOM 1564 CG PRO A 102 2.682 9.143 -15.863 1.00 0.00 C ATOM 1565 CD PRO A 102 3.774 8.859 -14.830 1.00 0.00 C ATOM 0 HA PRO A 102 1.042 9.309 -13.357 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.335 7.482 -15.758 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.551 9.047 -15.680 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.961 8.746 -16.839 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.536 10.216 -15.986 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.411 8.031 -15.141 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.422 9.724 -14.688 1.00 0.00 H new ATOM 1573 N VAL A 103 -0.395 7.120 -13.381 1.00 0.00 N ATOM 1574 CA VAL A 103 -1.120 5.971 -12.863 1.00 0.00 C ATOM 1575 C VAL A 103 -1.879 5.267 -13.984 1.00 0.00 C ATOM 1576 O VAL A 103 -1.947 5.764 -15.108 1.00 0.00 O ATOM 1577 CB VAL A 103 -2.107 6.431 -11.796 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -1.393 6.544 -10.448 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -2.681 7.794 -12.190 1.00 0.00 C ATOM 0 H VAL A 103 -0.980 7.819 -13.838 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.404 5.272 -12.430 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.916 5.705 -11.713 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.101 6.873 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.987 5.572 -10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.582 7.268 -10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.387 8.125 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.872 8.519 -12.274 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.194 7.710 -13.148 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.450 4.109 -13.671 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.205 3.350 -14.661 1.00 0.00 C ATOM 1591 C ALA A 104 -4.672 3.260 -14.255 1.00 0.00 C ATOM 1592 O ALA A 104 -4.991 2.881 -13.129 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.624 1.942 -14.797 1.00 0.00 C ATOM 0 H ALA A 104 -2.405 3.678 -12.748 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.133 3.864 -15.619 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.195 1.383 -15.539 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.583 2.007 -15.114 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.680 1.431 -13.836 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.560 3.612 -15.178 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.990 3.566 -14.899 1.00 0.00 C ATOM 1601 C VAL A 105 -7.589 2.264 -15.410 1.00 0.00 C ATOM 1602 O VAL A 105 -7.325 1.850 -16.539 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.692 4.744 -15.573 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.104 4.891 -15.001 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -6.899 6.029 -15.316 1.00 0.00 C ATOM 0 H VAL A 105 -5.318 3.929 -16.117 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.133 3.625 -13.820 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.752 4.565 -16.647 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.605 5.731 -15.481 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.669 3.977 -15.186 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.045 5.069 -13.927 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.401 6.869 -15.797 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.837 6.210 -14.243 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.894 5.924 -15.725 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.396 1.619 -14.576 1.00 0.00 N ATOM 1616 CA ASN A 106 -9.022 0.365 -14.965 1.00 0.00 C ATOM 1617 C ASN A 106 -10.037 0.599 -16.079 1.00 0.00 C ATOM 1618 O ASN A 106 -11.103 1.172 -15.850 1.00 0.00 O ATOM 1619 CB ASN A 106 -9.718 -0.272 -13.761 1.00 0.00 C ATOM 1620 CG ASN A 106 -9.338 -1.746 -13.657 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -8.198 -2.071 -13.324 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -10.229 -2.661 -13.923 1.00 0.00 N ATOM 0 H ASN A 106 -8.629 1.940 -13.637 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.246 -0.308 -15.329 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.433 0.251 -12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.799 -0.173 -13.861 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.982 -3.648 -13.855 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.173 -2.389 -14.199 1.00 0.00 H new ATOM 1629 N LYS A 107 -9.700 0.149 -17.282 1.00 0.00 N ATOM 1630 CA LYS A 107 -10.588 0.312 -18.427 1.00 0.00 C ATOM 1631 C LYS A 107 -12.046 0.328 -17.977 1.00 0.00 C ATOM 1632 O LYS A 107 -12.414 -0.537 -17.199 1.00 0.00 O ATOM 1633 CB LYS A 107 -10.371 -0.832 -19.419 1.00 0.00 C ATOM 1634 CG LYS A 107 -11.164 -0.560 -20.699 1.00 0.00 C ATOM 1635 CD LYS A 107 -10.235 0.035 -21.758 1.00 0.00 C ATOM 1636 CE LYS A 107 -11.022 0.289 -23.044 1.00 0.00 C ATOM 1637 NZ LYS A 107 -10.105 0.820 -24.091 1.00 0.00 N ATOM 1638 OXT LYS A 107 -12.772 1.204 -18.417 1.00 0.00 O ATOM 0 H LYS A 107 -8.823 -0.329 -17.489 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.359 1.262 -18.910 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.310 -0.930 -19.650 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.689 -1.776 -18.976 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.608 -1.485 -21.068 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.984 0.127 -20.492 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.802 0.967 -21.394 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.407 -0.646 -21.955 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.487 -0.635 -23.387 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.827 1.000 -22.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.640 0.993 -24.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.682 1.711 -23.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.352 0.127 -24.277 1.00 0.00 H new TER 1652 LYS A 107