USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot 130:sc= -3.37! USER MOD Set 1.2: A 36 CYS SG : rot 126:sc= 0.125 USER MOD Set 1.3: A 56 CYS SG : rot 180:sc= 0.25 USER MOD Set 2.1: A 6 CYS SG : rot -171:sc= 2.1 USER MOD Set 2.2: A 9 CYS SG : rot -50:sc= -0.756 USER MOD Set 2.3: A 27 HIS : no HD1:sc= -2.32! C(o=-0.84!,f=-2.6!) USER MOD Set 2.4: A 30 CYS SG : rot 132:sc= 0.133 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 1.02 K(o=1,f=-0.042) USER MOD Single : A 11 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.5) USER MOD Single : A 12 ASN : amide:sc= -0.203 K(o=-0.2,f=0.55) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.025) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -112:sc= 0.537 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -36:sc= 0.595 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.4!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.243 -7.113 -7.259 1.00 0.00 N ATOM 22 CA LEU A 3 -15.027 -5.723 -7.631 1.00 0.00 C ATOM 23 C LEU A 3 -13.635 -5.563 -8.222 1.00 0.00 C ATOM 24 O LEU A 3 -13.466 -5.507 -9.439 1.00 0.00 O ATOM 25 CB LEU A 3 -15.189 -4.809 -6.412 1.00 0.00 C ATOM 26 CG LEU A 3 -16.633 -4.561 -5.974 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.815 -4.922 -4.508 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.021 -3.114 -6.224 1.00 0.00 C ATOM 0 HA LEU A 3 -15.770 -5.438 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.642 -5.244 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.723 -3.849 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.289 -5.199 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.848 -4.739 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.577 -5.975 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.150 -4.311 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.051 -2.954 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.361 -2.457 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.930 -2.891 -7.287 1.00 0.00 H new ATOM 40 N LEU A 4 -12.637 -5.630 -7.360 1.00 0.00 N ATOM 41 CA LEU A 4 -11.249 -5.635 -7.785 1.00 0.00 C ATOM 42 C LEU A 4 -10.591 -6.904 -7.289 1.00 0.00 C ATOM 43 O LEU A 4 -11.071 -7.518 -6.343 1.00 0.00 O ATOM 44 CB LEU A 4 -10.504 -4.426 -7.222 1.00 0.00 C ATOM 45 CG LEU A 4 -11.256 -3.104 -7.287 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.261 -2.436 -5.923 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.625 -2.197 -8.329 1.00 0.00 C ATOM 0 H LEU A 4 -12.765 -5.682 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.212 -5.587 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.251 -4.629 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.564 -4.316 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.289 -3.296 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.802 -1.491 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.750 -3.089 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.235 -2.247 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.170 -1.254 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.586 -2.005 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.666 -2.681 -9.305 1.00 0.00 H new ATOM 59 N THR A 5 -9.476 -7.275 -7.873 1.00 0.00 N ATOM 60 CA THR A 5 -8.769 -8.452 -7.414 1.00 0.00 C ATOM 61 C THR A 5 -7.359 -8.114 -6.976 1.00 0.00 C ATOM 62 O THR A 5 -6.648 -7.358 -7.643 1.00 0.00 O ATOM 63 CB THR A 5 -8.732 -9.549 -8.481 1.00 0.00 C ATOM 64 OG1 THR A 5 -9.224 -9.038 -9.728 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.582 -10.723 -8.042 1.00 0.00 C ATOM 0 H THR A 5 -9.042 -6.788 -8.657 1.00 0.00 H new ATOM 0 HA THR A 5 -9.322 -8.831 -6.555 1.00 0.00 H new ATOM 0 HB THR A 5 -7.702 -9.879 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.195 -9.745 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.551 -11.500 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.196 -11.121 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.611 -10.394 -7.900 1.00 0.00 H new ATOM 73 N CYS A 6 -6.989 -8.636 -5.819 1.00 0.00 N ATOM 74 CA CYS A 6 -5.692 -8.378 -5.238 1.00 0.00 C ATOM 75 C CYS A 6 -4.694 -9.423 -5.710 1.00 0.00 C ATOM 76 O CYS A 6 -5.039 -10.596 -5.862 1.00 0.00 O ATOM 77 CB CYS A 6 -5.813 -8.359 -3.710 1.00 0.00 C ATOM 78 SG CYS A 6 -4.561 -9.324 -2.807 1.00 0.00 S ATOM 0 H CYS A 6 -7.582 -9.249 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.326 -7.404 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.760 -7.324 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.800 -8.733 -3.437 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.883 -9.383 -1.549 1.00 0.00 H new ATOM 83 N GLY A 7 -3.492 -8.977 -6.030 1.00 0.00 N ATOM 84 CA GLY A 7 -2.487 -9.872 -6.562 1.00 0.00 C ATOM 85 C GLY A 7 -1.825 -10.718 -5.490 1.00 0.00 C ATOM 86 O GLY A 7 -0.969 -11.551 -5.792 1.00 0.00 O ATOM 0 H GLY A 7 -3.192 -8.007 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.946 -10.527 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.725 -9.289 -7.080 1.00 0.00 H new ATOM 90 N GLY A 8 -2.202 -10.494 -4.240 1.00 0.00 N ATOM 91 CA GLY A 8 -1.608 -11.232 -3.145 1.00 0.00 C ATOM 92 C GLY A 8 -2.333 -12.530 -2.863 1.00 0.00 C ATOM 93 O GLY A 8 -1.716 -13.597 -2.814 1.00 0.00 O ATOM 0 H GLY A 8 -2.910 -9.813 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.565 -11.445 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.614 -10.613 -2.248 1.00 0.00 H new ATOM 97 N CYS A 9 -3.642 -12.445 -2.659 1.00 0.00 N ATOM 98 CA CYS A 9 -4.436 -13.622 -2.340 1.00 0.00 C ATOM 99 C CYS A 9 -5.313 -14.029 -3.518 1.00 0.00 C ATOM 100 O CYS A 9 -5.703 -15.193 -3.642 1.00 0.00 O ATOM 101 CB CYS A 9 -5.308 -13.353 -1.113 1.00 0.00 C ATOM 102 SG CYS A 9 -6.561 -12.060 -1.368 1.00 0.00 S ATOM 0 H CYS A 9 -4.173 -11.576 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.751 -14.442 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.808 -14.278 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.667 -13.065 -0.280 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.999 -11.006 -1.880 1.00 0.00 H new ATOM 107 N GLN A 10 -5.633 -13.050 -4.365 1.00 0.00 N ATOM 108 CA GLN A 10 -6.477 -13.261 -5.533 1.00 0.00 C ATOM 109 C GLN A 10 -7.883 -13.713 -5.130 1.00 0.00 C ATOM 110 O GLN A 10 -8.575 -14.388 -5.891 1.00 0.00 O ATOM 111 CB GLN A 10 -5.826 -14.276 -6.468 1.00 0.00 C ATOM 112 CG GLN A 10 -4.559 -13.767 -7.137 1.00 0.00 C ATOM 113 CD GLN A 10 -4.828 -13.034 -8.436 1.00 0.00 C ATOM 114 OE1 GLN A 10 -4.826 -13.631 -9.512 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.058 -11.737 -8.349 1.00 0.00 N ATOM 0 H GLN A 10 -5.312 -12.088 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.579 -12.312 -6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.591 -15.178 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.544 -14.560 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.036 -13.100 -6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.895 -14.609 -7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.051 -11.278 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.243 -11.194 -9.193 1.00 0.00 H new ATOM 124 N GLN A 11 -8.294 -13.355 -3.918 1.00 0.00 N ATOM 125 CA GLN A 11 -9.605 -13.745 -3.411 1.00 0.00 C ATOM 126 C GLN A 11 -10.624 -12.623 -3.606 1.00 0.00 C ATOM 127 O GLN A 11 -11.731 -12.681 -3.066 1.00 0.00 O ATOM 128 CB GLN A 11 -9.505 -14.137 -1.930 1.00 0.00 C ATOM 129 CG GLN A 11 -9.608 -12.969 -0.956 1.00 0.00 C ATOM 130 CD GLN A 11 -10.875 -13.011 -0.123 1.00 0.00 C ATOM 131 OE1 GLN A 11 -11.297 -14.069 0.337 1.00 0.00 O ATOM 132 NE2 GLN A 11 -11.501 -11.861 0.061 1.00 0.00 N ATOM 0 H GLN A 11 -7.739 -12.796 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.949 -14.610 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.295 -14.853 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.556 -14.647 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.742 -12.976 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.575 -12.033 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.119 -11.003 -0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.366 -11.832 0.601 1.00 0.00 H new ATOM 141 N ASN A 12 -10.228 -11.611 -4.387 1.00 0.00 N ATOM 142 CA ASN A 12 -11.072 -10.446 -4.684 1.00 0.00 C ATOM 143 C ASN A 12 -11.141 -9.493 -3.490 1.00 0.00 C ATOM 144 O ASN A 12 -11.311 -9.912 -2.344 1.00 0.00 O ATOM 145 CB ASN A 12 -12.485 -10.873 -5.120 1.00 0.00 C ATOM 146 CG ASN A 12 -13.500 -9.744 -5.044 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.505 -8.837 -5.875 1.00 0.00 O ATOM 148 ND2 ASN A 12 -14.370 -9.790 -4.048 1.00 0.00 N ATOM 0 H ASN A 12 -9.311 -11.576 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.610 -9.914 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.445 -11.249 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.820 -11.697 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.074 -9.058 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.337 -10.557 -3.377 1.00 0.00 H new ATOM 155 N ILE A 13 -11.010 -8.206 -3.774 1.00 0.00 N ATOM 156 CA ILE A 13 -11.084 -7.177 -2.748 1.00 0.00 C ATOM 157 C ILE A 13 -12.520 -6.705 -2.583 1.00 0.00 C ATOM 158 O ILE A 13 -13.041 -5.957 -3.412 1.00 0.00 O ATOM 159 CB ILE A 13 -10.191 -5.967 -3.081 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.859 -6.430 -3.670 1.00 0.00 C ATOM 161 CG2 ILE A 13 -9.957 -5.111 -1.844 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.295 -5.479 -4.697 1.00 0.00 C ATOM 0 H ILE A 13 -10.850 -7.847 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.726 -7.621 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.706 -5.359 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.136 -6.552 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.994 -7.410 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.324 -4.262 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.913 -4.748 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.466 -5.708 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.349 -5.869 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.999 -5.375 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.128 -4.505 -4.238 1.00 0.00 H new ATOM 174 N GLY A 14 -13.167 -7.182 -1.533 1.00 0.00 N ATOM 175 CA GLY A 14 -14.546 -6.826 -1.283 1.00 0.00 C ATOM 176 C GLY A 14 -14.674 -5.834 -0.150 1.00 0.00 C ATOM 177 O GLY A 14 -15.774 -5.559 0.325 1.00 0.00 O ATOM 0 H GLY A 14 -12.758 -7.814 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.982 -6.402 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.116 -7.724 -1.045 1.00 0.00 H new ATOM 181 N ASP A 15 -13.541 -5.310 0.290 1.00 0.00 N ATOM 182 CA ASP A 15 -13.518 -4.337 1.373 1.00 0.00 C ATOM 183 C ASP A 15 -13.837 -2.945 0.847 1.00 0.00 C ATOM 184 O ASP A 15 -14.060 -2.760 -0.352 1.00 0.00 O ATOM 185 CB ASP A 15 -12.156 -4.324 2.069 1.00 0.00 C ATOM 186 CG ASP A 15 -11.929 -5.549 2.931 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.742 -5.799 3.844 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.936 -6.270 2.700 1.00 0.00 O ATOM 0 H ASP A 15 -12.622 -5.542 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.278 -4.628 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.369 -4.263 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.077 -3.430 2.687 1.00 0.00 H new ATOM 193 N ARG A 16 -13.837 -1.967 1.735 1.00 0.00 N ATOM 194 CA ARG A 16 -14.128 -0.594 1.349 1.00 0.00 C ATOM 195 C ARG A 16 -12.836 0.190 1.164 1.00 0.00 C ATOM 196 O ARG A 16 -12.808 1.211 0.479 1.00 0.00 O ATOM 197 CB ARG A 16 -15.039 0.080 2.390 1.00 0.00 C ATOM 198 CG ARG A 16 -14.318 1.004 3.363 1.00 0.00 C ATOM 199 CD ARG A 16 -14.219 0.390 4.748 1.00 0.00 C ATOM 200 NE ARG A 16 -14.833 1.229 5.773 1.00 0.00 N ATOM 201 CZ ARG A 16 -15.468 0.755 6.843 1.00 0.00 C ATOM 202 NH1 ARG A 16 -15.589 -0.556 7.026 1.00 0.00 N ATOM 203 NH2 ARG A 16 -15.990 1.597 7.725 1.00 0.00 N ATOM 0 H ARG A 16 -13.639 -2.096 2.727 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.658 -0.605 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.805 0.652 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.553 -0.695 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.318 1.219 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.848 1.955 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.702 -0.587 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.170 0.227 4.996 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.772 2.241 5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.194 -1.205 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.076 -0.913 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.904 2.603 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.477 1.238 8.546 1.00 0.00 H new ATOM 217 N TYR A 17 -11.762 -0.302 1.762 1.00 0.00 N ATOM 218 CA TYR A 17 -10.472 0.353 1.656 1.00 0.00 C ATOM 219 C TYR A 17 -9.416 -0.666 1.257 1.00 0.00 C ATOM 220 O TYR A 17 -9.466 -1.818 1.696 1.00 0.00 O ATOM 221 CB TYR A 17 -10.106 1.010 2.985 1.00 0.00 C ATOM 222 CG TYR A 17 -9.519 2.393 2.830 1.00 0.00 C ATOM 223 CD1 TYR A 17 -10.286 3.425 2.311 1.00 0.00 C ATOM 224 CD2 TYR A 17 -8.213 2.669 3.206 1.00 0.00 C ATOM 225 CE1 TYR A 17 -9.770 4.697 2.169 1.00 0.00 C ATOM 226 CE2 TYR A 17 -7.687 3.940 3.066 1.00 0.00 C ATOM 227 CZ TYR A 17 -8.470 4.950 2.548 1.00 0.00 C ATOM 228 OH TYR A 17 -7.950 6.219 2.411 1.00 0.00 O ATOM 0 H TYR A 17 -11.760 -1.152 2.325 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.522 1.129 0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.997 1.070 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.391 0.377 3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.305 3.230 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.598 1.880 3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.382 5.489 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.668 4.141 3.361 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.022 6.228 2.725 1.00 0.00 H new ATOM 238 N PHE A 18 -8.511 -0.274 0.374 1.00 0.00 N ATOM 239 CA PHE A 18 -7.507 -1.201 -0.128 1.00 0.00 C ATOM 240 C PHE A 18 -6.247 -0.476 -0.590 1.00 0.00 C ATOM 241 O PHE A 18 -6.132 0.740 -0.454 1.00 0.00 O ATOM 242 CB PHE A 18 -8.092 -2.053 -1.266 1.00 0.00 C ATOM 243 CG PHE A 18 -8.250 -1.341 -2.588 1.00 0.00 C ATOM 244 CD1 PHE A 18 -9.039 -0.205 -2.705 1.00 0.00 C ATOM 245 CD2 PHE A 18 -7.620 -1.831 -3.723 1.00 0.00 C ATOM 246 CE1 PHE A 18 -9.190 0.427 -3.923 1.00 0.00 C ATOM 247 CE2 PHE A 18 -7.773 -1.203 -4.943 1.00 0.00 C ATOM 248 CZ PHE A 18 -8.557 -0.071 -5.042 1.00 0.00 C ATOM 0 H PHE A 18 -8.450 0.670 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.220 -1.857 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.451 -2.922 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.067 -2.426 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.540 0.189 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.003 -2.714 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.804 1.312 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.280 -1.597 -5.819 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.674 0.424 -5.995 1.00 0.00 H new ATOM 258 N LEU A 19 -5.311 -1.237 -1.137 1.00 0.00 N ATOM 259 CA LEU A 19 -4.059 -0.699 -1.642 1.00 0.00 C ATOM 260 C LEU A 19 -3.894 -1.087 -3.103 1.00 0.00 C ATOM 261 O LEU A 19 -4.140 -2.227 -3.457 1.00 0.00 O ATOM 262 CB LEU A 19 -2.886 -1.273 -0.840 1.00 0.00 C ATOM 263 CG LEU A 19 -2.446 -0.457 0.375 1.00 0.00 C ATOM 264 CD1 LEU A 19 -1.850 -1.367 1.437 1.00 0.00 C ATOM 265 CD2 LEU A 19 -1.443 0.610 -0.037 1.00 0.00 C ATOM 0 H LEU A 19 -5.400 -2.248 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.072 0.387 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.157 -2.274 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.032 -1.382 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.321 0.037 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.542 -0.771 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.596 -2.097 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.984 -1.887 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.140 1.182 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.568 0.135 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.902 1.278 -0.766 1.00 0.00 H new ATOM 277 N LYS A 20 -3.474 -0.164 -3.950 1.00 0.00 N ATOM 278 CA LYS A 20 -3.226 -0.498 -5.349 1.00 0.00 C ATOM 279 C LYS A 20 -2.346 0.570 -5.992 1.00 0.00 C ATOM 280 O LYS A 20 -2.478 1.746 -5.653 1.00 0.00 O ATOM 281 CB LYS A 20 -4.558 -0.665 -6.107 1.00 0.00 C ATOM 282 CG LYS A 20 -4.626 0.022 -7.463 1.00 0.00 C ATOM 283 CD LYS A 20 -5.738 1.058 -7.514 1.00 0.00 C ATOM 284 CE LYS A 20 -6.163 1.344 -8.944 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.557 1.851 -9.020 1.00 0.00 N ATOM 0 H LYS A 20 -3.298 0.810 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.696 -1.449 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.746 -1.729 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.363 -0.279 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.671 0.503 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.788 -0.724 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.595 0.703 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.400 1.980 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.486 2.077 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.076 0.434 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.806 2.033 -10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.206 1.142 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.635 2.734 -8.476 1.00 0.00 H new ATOM 299 N ALA A 21 -1.495 0.162 -6.948 1.00 0.00 N ATOM 300 CA ALA A 21 -0.627 1.101 -7.678 1.00 0.00 C ATOM 301 C ALA A 21 0.411 0.363 -8.510 1.00 0.00 C ATOM 302 O ALA A 21 0.873 0.873 -9.530 1.00 0.00 O ATOM 303 CB ALA A 21 0.094 2.061 -6.739 1.00 0.00 C ATOM 0 H ALA A 21 -1.390 -0.812 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.284 1.673 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.723 2.735 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.639 2.641 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.715 1.494 -6.045 1.00 0.00 H new ATOM 309 N ILE A 22 0.875 -0.770 -7.987 1.00 0.00 N ATOM 310 CA ILE A 22 1.963 -1.529 -8.600 1.00 0.00 C ATOM 311 C ILE A 22 1.670 -1.849 -10.064 1.00 0.00 C ATOM 312 O ILE A 22 2.535 -1.700 -10.927 1.00 0.00 O ATOM 313 CB ILE A 22 2.207 -2.846 -7.826 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.770 -2.533 -6.436 1.00 0.00 C ATOM 315 CG2 ILE A 22 3.142 -3.769 -8.599 1.00 0.00 C ATOM 316 CD1 ILE A 22 3.175 -3.756 -5.642 1.00 0.00 C ATOM 0 H ILE A 22 0.510 -1.186 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 22 2.857 -0.907 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 22 1.256 -3.366 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.637 -1.881 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.022 -1.977 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.297 -4.687 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.699 -4.009 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.100 -3.271 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.563 -3.447 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.308 -4.400 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.947 -4.303 -6.184 1.00 0.00 H new ATOM 328 N ASP A 23 0.428 -2.243 -10.312 1.00 0.00 N ATOM 329 CA ASP A 23 -0.068 -2.621 -11.638 1.00 0.00 C ATOM 330 C ASP A 23 -1.302 -3.473 -11.434 1.00 0.00 C ATOM 331 O ASP A 23 -2.146 -3.622 -12.318 1.00 0.00 O ATOM 332 CB ASP A 23 0.965 -3.422 -12.438 1.00 0.00 C ATOM 333 CG ASP A 23 0.521 -3.678 -13.864 1.00 0.00 C ATOM 334 OD1 ASP A 23 0.165 -2.711 -14.567 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.537 -4.851 -14.292 1.00 0.00 O ATOM 0 H ASP A 23 -0.282 -2.312 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.284 -1.715 -12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.912 -2.882 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.146 -4.375 -11.940 1.00 0.00 H new ATOM 340 N GLN A 24 -1.442 -3.927 -10.199 1.00 0.00 N ATOM 341 CA GLN A 24 -2.597 -4.685 -9.779 1.00 0.00 C ATOM 342 C GLN A 24 -3.293 -3.953 -8.665 1.00 0.00 C ATOM 343 O GLN A 24 -2.704 -3.067 -8.036 1.00 0.00 O ATOM 344 CB GLN A 24 -2.183 -6.066 -9.269 1.00 0.00 C ATOM 345 CG GLN A 24 -2.059 -7.111 -10.355 1.00 0.00 C ATOM 346 CD GLN A 24 -0.623 -7.552 -10.563 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.337 -8.742 -10.692 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.289 -6.590 -10.589 1.00 0.00 N ATOM 0 H GLN A 24 -0.753 -3.777 -9.462 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.261 -4.804 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.228 -5.979 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.914 -6.405 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.669 -7.976 -10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.453 -6.711 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.006 -5.616 -10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.273 -6.824 -10.720 1.00 0.00 H new ATOM 357 N TYR A 25 -4.416 -4.491 -8.265 1.00 0.00 N ATOM 358 CA TYR A 25 -5.044 -4.058 -7.042 1.00 0.00 C ATOM 359 C TYR A 25 -4.621 -5.013 -5.944 1.00 0.00 C ATOM 360 O TYR A 25 -4.163 -6.119 -6.233 1.00 0.00 O ATOM 361 CB TYR A 25 -6.566 -4.013 -7.187 1.00 0.00 C ATOM 362 CG TYR A 25 -7.036 -3.557 -8.549 1.00 0.00 C ATOM 363 CD1 TYR A 25 -6.702 -2.299 -9.043 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.811 -4.390 -9.347 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.129 -1.888 -10.291 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.240 -3.984 -10.597 1.00 0.00 C ATOM 367 CZ TYR A 25 -7.895 -2.733 -11.064 1.00 0.00 C ATOM 368 OH TYR A 25 -8.322 -2.328 -12.307 1.00 0.00 O ATOM 0 H TYR A 25 -4.914 -5.227 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.729 -3.044 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.970 -5.005 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.974 -3.344 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.100 -1.634 -8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.083 -5.371 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.863 -0.908 -10.659 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.842 -4.643 -11.205 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.850 -3.043 -12.720 1.00 0.00 H new ATOM 378 N TRP A 26 -4.578 -4.528 -4.723 1.00 0.00 N ATOM 379 CA TRP A 26 -4.048 -5.313 -3.625 1.00 0.00 C ATOM 380 C TRP A 26 -4.953 -5.225 -2.413 1.00 0.00 C ATOM 381 O TRP A 26 -6.033 -4.633 -2.457 1.00 0.00 O ATOM 382 CB TRP A 26 -2.646 -4.832 -3.235 1.00 0.00 C ATOM 383 CG TRP A 26 -1.654 -4.864 -4.353 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.334 -3.839 -5.195 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.842 -5.973 -4.741 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.373 -4.246 -6.085 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.056 -5.554 -5.829 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.702 -7.280 -4.269 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.851 -6.402 -6.462 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.200 -8.119 -4.896 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.968 -7.676 -5.980 1.00 0.00 C ATOM 0 H TRP A 26 -4.902 -3.596 -4.463 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.994 -6.348 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.716 -3.813 -2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.276 -5.451 -2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.773 -2.853 -5.165 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.039 -3.669 -6.818 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.287 -7.628 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.440 -6.065 -7.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.314 -9.134 -4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.667 -8.355 -6.445 1.00 0.00 H new ATOM 402 N HIS A 27 -4.438 -5.707 -1.306 1.00 0.00 N ATOM 403 CA HIS A 27 -5.126 -5.627 -0.035 1.00 0.00 C ATOM 404 C HIS A 27 -4.252 -4.880 0.956 1.00 0.00 C ATOM 405 O HIS A 27 -3.026 -4.883 0.829 1.00 0.00 O ATOM 406 CB HIS A 27 -5.421 -7.025 0.507 1.00 0.00 C ATOM 407 CG HIS A 27 -6.790 -7.533 0.197 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.982 -8.761 -0.374 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.998 -6.958 0.414 1.00 0.00 C ATOM 410 CE1 HIS A 27 -8.283 -8.918 -0.496 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.949 -7.847 -0.030 1.00 0.00 N ATOM 0 H HIS A 27 -3.529 -6.167 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.070 -5.101 -0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.688 -7.721 0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.286 -7.017 1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.179 -5.987 0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.755 -9.794 -0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.961 -7.719 -0.010 1.00 0.00 H new ATOM 419 N GLU A 28 -4.877 -4.301 1.965 1.00 0.00 N ATOM 420 CA GLU A 28 -4.167 -3.587 3.007 1.00 0.00 C ATOM 421 C GLU A 28 -3.236 -4.522 3.780 1.00 0.00 C ATOM 422 O GLU A 28 -2.189 -4.097 4.274 1.00 0.00 O ATOM 423 CB GLU A 28 -5.174 -2.962 3.960 1.00 0.00 C ATOM 424 CG GLU A 28 -5.492 -1.509 3.657 1.00 0.00 C ATOM 425 CD GLU A 28 -6.547 -0.948 4.584 1.00 0.00 C ATOM 426 OE1 GLU A 28 -7.173 -1.733 5.327 1.00 0.00 O ATOM 427 OE2 GLU A 28 -6.755 0.281 4.576 1.00 0.00 O ATOM 0 H GLU A 28 -5.890 -4.313 2.084 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.558 -2.810 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.098 -3.540 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.789 -3.034 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.582 -0.915 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.834 -1.421 2.626 1.00 0.00 H new ATOM 434 N ASP A 29 -3.673 -5.765 3.966 1.00 0.00 N ATOM 435 CA ASP A 29 -2.934 -6.723 4.787 1.00 0.00 C ATOM 436 C ASP A 29 -2.238 -7.783 3.936 1.00 0.00 C ATOM 437 O ASP A 29 -1.406 -8.550 4.424 1.00 0.00 O ATOM 438 CB ASP A 29 -3.882 -7.389 5.791 1.00 0.00 C ATOM 439 CG ASP A 29 -3.178 -8.357 6.719 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.517 -7.902 7.675 1.00 0.00 O ATOM 441 OD2 ASP A 29 -3.284 -9.584 6.503 1.00 0.00 O ATOM 0 H ASP A 29 -4.534 -6.133 3.560 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.160 -6.175 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.373 -6.618 6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.664 -7.919 5.247 1.00 0.00 H new ATOM 446 N CYS A 30 -2.529 -7.776 2.650 1.00 0.00 N ATOM 447 CA CYS A 30 -1.899 -8.714 1.730 1.00 0.00 C ATOM 448 C CYS A 30 -0.542 -8.198 1.279 1.00 0.00 C ATOM 449 O CYS A 30 0.456 -8.917 1.336 1.00 0.00 O ATOM 450 CB CYS A 30 -2.791 -8.968 0.521 1.00 0.00 C ATOM 451 SG CYS A 30 -4.019 -10.291 0.771 1.00 0.00 S ATOM 0 H CYS A 30 -3.194 -7.136 2.216 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.755 -9.656 2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.313 -8.045 0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.164 -9.225 -0.333 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.190 -9.874 0.390 1.00 0.00 H new ATOM 456 N LEU A 31 -0.508 -6.947 0.846 1.00 0.00 N ATOM 457 CA LEU A 31 0.740 -6.330 0.421 1.00 0.00 C ATOM 458 C LEU A 31 1.719 -6.275 1.589 1.00 0.00 C ATOM 459 O LEU A 31 1.472 -5.605 2.590 1.00 0.00 O ATOM 460 CB LEU A 31 0.489 -4.921 -0.130 1.00 0.00 C ATOM 461 CG LEU A 31 1.413 -4.498 -1.277 1.00 0.00 C ATOM 462 CD1 LEU A 31 0.722 -3.489 -2.180 1.00 0.00 C ATOM 463 CD2 LEU A 31 2.713 -3.922 -0.734 1.00 0.00 C ATOM 0 H LEU A 31 -1.326 -6.341 0.780 1.00 0.00 H new ATOM 0 HA LEU A 31 1.172 -6.935 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.543 -4.861 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.595 -4.205 0.685 1.00 0.00 H new ATOM 0 HG LEU A 31 1.648 -5.383 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.396 -3.202 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.180 -3.935 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.454 -2.606 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.355 -3.628 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.495 -3.050 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.221 -4.675 -0.131 1.00 0.00 H new ATOM 475 N SER A 32 2.800 -7.023 1.475 1.00 0.00 N ATOM 476 CA SER A 32 3.812 -7.069 2.512 1.00 0.00 C ATOM 477 C SER A 32 5.181 -6.793 1.903 1.00 0.00 C ATOM 478 O SER A 32 5.302 -6.679 0.683 1.00 0.00 O ATOM 479 CB SER A 32 3.794 -8.436 3.201 1.00 0.00 C ATOM 480 OG SER A 32 2.903 -9.331 2.551 1.00 0.00 O ATOM 0 H SER A 32 3.000 -7.612 0.667 1.00 0.00 H new ATOM 0 HA SER A 32 3.600 -6.305 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.799 -8.858 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.497 -8.316 4.243 1.00 0.00 H new ATOM 0 HG SER A 32 2.914 -10.196 3.012 1.00 0.00 H new ATOM 486 N CYS A 33 6.200 -6.665 2.740 1.00 0.00 N ATOM 487 CA CYS A 33 7.536 -6.370 2.252 1.00 0.00 C ATOM 488 C CYS A 33 8.140 -7.557 1.515 1.00 0.00 C ATOM 489 O CYS A 33 7.724 -8.706 1.692 1.00 0.00 O ATOM 490 CB CYS A 33 8.456 -5.974 3.400 1.00 0.00 C ATOM 491 SG CYS A 33 10.049 -5.267 2.859 1.00 0.00 S ATOM 0 H CYS A 33 6.127 -6.760 3.753 1.00 0.00 H new ATOM 0 HA CYS A 33 7.443 -5.537 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.943 -5.248 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.650 -6.851 4.017 1.00 0.00 H new ATOM 0 HG CYS A 33 10.269 -4.155 3.495 1.00 0.00 H new ATOM 496 N ASP A 34 9.185 -7.259 0.768 1.00 0.00 N ATOM 497 CA ASP A 34 9.950 -8.256 0.045 1.00 0.00 C ATOM 498 C ASP A 34 11.276 -8.486 0.741 1.00 0.00 C ATOM 499 O ASP A 34 11.839 -9.580 0.705 1.00 0.00 O ATOM 500 CB ASP A 34 10.206 -7.776 -1.378 1.00 0.00 C ATOM 501 CG ASP A 34 10.386 -8.915 -2.357 1.00 0.00 C ATOM 502 OD1 ASP A 34 9.369 -9.443 -2.862 1.00 0.00 O ATOM 503 OD2 ASP A 34 11.545 -9.288 -2.631 1.00 0.00 O ATOM 0 H ASP A 34 9.531 -6.307 0.645 1.00 0.00 H new ATOM 0 HA ASP A 34 9.385 -9.188 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.372 -7.153 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.097 -7.148 -1.390 1.00 0.00 H new ATOM 508 N LEU A 35 11.780 -7.428 1.359 1.00 0.00 N ATOM 509 CA LEU A 35 13.057 -7.485 2.056 1.00 0.00 C ATOM 510 C LEU A 35 12.869 -7.932 3.502 1.00 0.00 C ATOM 511 O LEU A 35 13.329 -9.007 3.881 1.00 0.00 O ATOM 512 CB LEU A 35 13.757 -6.127 2.013 1.00 0.00 C ATOM 513 CG LEU A 35 15.202 -6.136 2.506 1.00 0.00 C ATOM 514 CD1 LEU A 35 16.036 -7.120 1.706 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.805 -4.748 2.417 1.00 0.00 C ATOM 0 H LEU A 35 11.323 -6.517 1.392 1.00 0.00 H new ATOM 0 HA LEU A 35 13.683 -8.218 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.740 -5.757 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.186 -5.421 2.616 1.00 0.00 H new ATOM 0 HG LEU A 35 15.201 -6.450 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.062 -7.110 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.621 -8.122 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.025 -6.835 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.835 -4.775 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.788 -4.410 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.226 -4.060 3.033 1.00 0.00 H new ATOM 527 N CYS A 36 12.106 -7.158 4.275 1.00 0.00 N ATOM 528 CA CYS A 36 11.779 -7.548 5.640 1.00 0.00 C ATOM 529 C CYS A 36 10.915 -8.806 5.611 1.00 0.00 C ATOM 530 O CYS A 36 11.159 -9.769 6.340 1.00 0.00 O ATOM 531 CB CYS A 36 11.047 -6.422 6.384 1.00 0.00 C ATOM 532 SG CYS A 36 11.766 -4.755 6.180 1.00 0.00 S ATOM 0 H CYS A 36 11.708 -6.266 3.980 1.00 0.00 H new ATOM 0 HA CYS A 36 12.707 -7.749 6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.012 -6.397 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.028 -6.664 7.447 1.00 0.00 H new ATOM 0 HG CYS A 36 10.850 -3.937 5.754 1.00 0.00 H new ATOM 537 N GLY A 37 9.965 -8.818 4.684 1.00 0.00 N ATOM 538 CA GLY A 37 9.142 -9.991 4.470 1.00 0.00 C ATOM 539 C GLY A 37 7.956 -10.062 5.412 1.00 0.00 C ATOM 540 O GLY A 37 7.161 -10.998 5.346 1.00 0.00 O ATOM 0 H GLY A 37 9.750 -8.030 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.782 -9.993 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.753 -10.885 4.596 1.00 0.00 H new ATOM 710 N TYR A 48 7.106 3.119 -1.680 1.00 0.00 N ATOM 711 CA TYR A 48 7.927 2.930 -2.866 1.00 0.00 C ATOM 712 C TYR A 48 8.286 1.470 -3.027 1.00 0.00 C ATOM 713 O TYR A 48 9.275 1.001 -2.465 1.00 0.00 O ATOM 714 CB TYR A 48 9.220 3.743 -2.794 1.00 0.00 C ATOM 715 CG TYR A 48 9.026 5.231 -2.683 1.00 0.00 C ATOM 716 CD1 TYR A 48 8.426 5.774 -1.559 1.00 0.00 C ATOM 717 CD2 TYR A 48 9.449 6.094 -3.692 1.00 0.00 C ATOM 718 CE1 TYR A 48 8.240 7.133 -1.433 1.00 0.00 C ATOM 719 CE2 TYR A 48 9.266 7.461 -3.570 1.00 0.00 C ATOM 720 CZ TYR A 48 8.658 7.973 -2.440 1.00 0.00 C ATOM 721 OH TYR A 48 8.464 9.331 -2.315 1.00 0.00 O ATOM 0 HA TYR A 48 7.342 3.273 -3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.800 3.402 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.814 3.534 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.097 5.119 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.923 5.694 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.769 7.537 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.597 8.124 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 48 8.815 9.786 -3.109 1.00 0.00 H new ATOM 731 N TYR A 49 7.540 0.779 -3.859 1.00 0.00 N ATOM 732 CA TYR A 49 7.866 -0.590 -4.187 1.00 0.00 C ATOM 733 C TYR A 49 8.875 -0.596 -5.327 1.00 0.00 C ATOM 734 O TYR A 49 8.873 0.302 -6.171 1.00 0.00 O ATOM 735 CB TYR A 49 6.602 -1.368 -4.570 1.00 0.00 C ATOM 736 CG TYR A 49 6.134 -1.109 -5.984 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.476 0.069 -6.316 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.363 -2.038 -6.990 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.061 0.312 -7.609 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.951 -1.801 -8.284 1.00 0.00 C ATOM 741 CZ TYR A 49 5.301 -0.625 -8.589 1.00 0.00 C ATOM 742 OH TYR A 49 4.889 -0.388 -9.879 1.00 0.00 O ATOM 0 H TYR A 49 6.705 1.141 -4.320 1.00 0.00 H new ATOM 0 HA TYR A 49 8.303 -1.081 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.792 -2.435 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.801 -1.106 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.286 0.806 -5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.872 -2.961 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.551 1.232 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.137 -2.534 -9.055 1.00 0.00 H new ATOM 0 HH TYR A 49 4.172 -1.014 -10.114 1.00 0.00 H new ATOM 752 N LYS A 50 9.714 -1.610 -5.374 1.00 0.00 N ATOM 753 CA LYS A 50 10.675 -1.725 -6.457 1.00 0.00 C ATOM 754 C LYS A 50 10.060 -2.507 -7.614 1.00 0.00 C ATOM 755 O LYS A 50 9.084 -3.224 -7.415 1.00 0.00 O ATOM 756 CB LYS A 50 11.972 -2.389 -5.978 1.00 0.00 C ATOM 757 CG LYS A 50 13.221 -1.866 -6.682 1.00 0.00 C ATOM 758 CD LYS A 50 13.684 -0.531 -6.108 1.00 0.00 C ATOM 759 CE LYS A 50 13.375 0.626 -7.048 1.00 0.00 C ATOM 760 NZ LYS A 50 14.527 1.563 -7.196 1.00 0.00 N ATOM 0 H LYS A 50 9.752 -2.360 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 50 10.928 -0.723 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.077 -2.231 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.900 -3.465 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.023 -2.598 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.016 -1.751 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.197 -0.360 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.757 -0.569 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.103 0.232 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.510 1.174 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.267 2.333 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.772 1.961 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.346 1.049 -7.579 1.00 0.00 H new ATOM 774 N LEU A 51 10.615 -2.292 -8.811 1.00 0.00 N ATOM 775 CA LEU A 51 10.150 -2.870 -10.086 1.00 0.00 C ATOM 776 C LEU A 51 9.290 -4.119 -9.921 1.00 0.00 C ATOM 777 O LEU A 51 8.136 -4.155 -10.359 1.00 0.00 O ATOM 778 CB LEU A 51 11.360 -3.204 -10.961 1.00 0.00 C ATOM 779 CG LEU A 51 12.717 -3.010 -10.278 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.216 -4.320 -9.690 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.728 -2.439 -11.254 1.00 0.00 C ATOM 0 H LEU A 51 11.430 -1.690 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 51 9.517 -2.116 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.279 -4.240 -11.289 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.327 -2.582 -11.856 1.00 0.00 H new ATOM 0 HG LEU A 51 12.591 -2.299 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.181 -4.159 -9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.500 -4.684 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.325 -5.058 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.686 -2.308 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.850 -3.123 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.376 -1.475 -11.620 1.00 0.00 H new ATOM 793 N GLY A 52 9.861 -5.138 -9.302 1.00 0.00 N ATOM 794 CA GLY A 52 9.139 -6.378 -9.091 1.00 0.00 C ATOM 795 C GLY A 52 9.222 -6.851 -7.656 1.00 0.00 C ATOM 796 O GLY A 52 9.087 -8.041 -7.377 1.00 0.00 O ATOM 0 H GLY A 52 10.815 -5.131 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.093 -6.239 -9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.542 -7.148 -9.749 1.00 0.00 H new ATOM 800 N ARG A 53 9.456 -5.913 -6.744 1.00 0.00 N ATOM 801 CA ARG A 53 9.570 -6.229 -5.326 1.00 0.00 C ATOM 802 C ARG A 53 8.850 -5.179 -4.491 1.00 0.00 C ATOM 803 O ARG A 53 9.315 -4.049 -4.372 1.00 0.00 O ATOM 804 CB ARG A 53 11.044 -6.299 -4.905 1.00 0.00 C ATOM 805 CG ARG A 53 11.938 -7.027 -5.894 1.00 0.00 C ATOM 806 CD ARG A 53 12.845 -8.026 -5.194 1.00 0.00 C ATOM 807 NE ARG A 53 13.193 -9.151 -6.062 1.00 0.00 N ATOM 808 CZ ARG A 53 12.781 -10.406 -5.869 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.064 -10.720 -4.797 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.103 -11.350 -6.742 1.00 0.00 N ATOM 0 H ARG A 53 9.571 -4.924 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 53 9.108 -7.201 -5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.420 -5.285 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.111 -6.796 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.323 -7.546 -6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.544 -6.303 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.756 -7.523 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.350 -8.399 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 53 13.790 -8.964 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.825 -10.000 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.752 -11.681 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.665 -11.117 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.789 -12.309 -6.595 1.00 0.00 H new ATOM 824 N LYS A 54 7.731 -5.559 -3.900 1.00 0.00 N ATOM 825 CA LYS A 54 6.971 -4.647 -3.056 1.00 0.00 C ATOM 826 C LYS A 54 7.528 -4.649 -1.635 1.00 0.00 C ATOM 827 O LYS A 54 7.536 -5.684 -0.974 1.00 0.00 O ATOM 828 CB LYS A 54 5.482 -5.027 -3.051 1.00 0.00 C ATOM 829 CG LYS A 54 5.215 -6.509 -2.818 1.00 0.00 C ATOM 830 CD LYS A 54 3.877 -6.942 -3.400 1.00 0.00 C ATOM 831 CE LYS A 54 3.975 -8.312 -4.054 1.00 0.00 C ATOM 832 NZ LYS A 54 3.280 -9.364 -3.264 1.00 0.00 N ATOM 0 H LYS A 54 7.327 -6.491 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 54 7.066 -3.641 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.975 -4.452 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.041 -4.736 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.014 -7.097 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.230 -6.717 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.126 -6.967 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.544 -6.209 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.544 -8.267 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.024 -8.582 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.373 -10.280 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.707 -9.427 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.273 -9.121 -3.173 1.00 0.00 H new ATOM 846 N LEU A 55 8.113 -3.529 -1.226 1.00 0.00 N ATOM 847 CA LEU A 55 8.768 -3.446 0.081 1.00 0.00 C ATOM 848 C LEU A 55 8.679 -2.029 0.663 1.00 0.00 C ATOM 849 O LEU A 55 8.203 -1.111 -0.009 1.00 0.00 O ATOM 850 CB LEU A 55 10.231 -3.898 -0.044 1.00 0.00 C ATOM 851 CG LEU A 55 11.222 -2.846 -0.548 1.00 0.00 C ATOM 852 CD1 LEU A 55 12.647 -3.321 -0.315 1.00 0.00 C ATOM 853 CD2 LEU A 55 10.988 -2.547 -2.024 1.00 0.00 C ATOM 0 H LEU A 55 8.149 -2.669 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 55 8.249 -4.111 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.567 -4.245 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.269 -4.755 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 55 11.065 -1.923 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.346 -2.567 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.807 -3.483 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.812 -4.255 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.703 -1.797 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.118 -3.460 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.975 -2.170 -2.163 1.00 0.00 H new ATOM 865 N CYS A 56 9.151 -1.856 1.906 1.00 0.00 N ATOM 866 CA CYS A 56 9.149 -0.547 2.558 1.00 0.00 C ATOM 867 C CYS A 56 10.094 0.406 1.842 1.00 0.00 C ATOM 868 O CYS A 56 11.101 -0.016 1.287 1.00 0.00 O ATOM 869 CB CYS A 56 9.577 -0.652 4.028 1.00 0.00 C ATOM 870 SG CYS A 56 9.076 -2.181 4.897 1.00 0.00 S ATOM 0 H CYS A 56 9.538 -2.608 2.476 1.00 0.00 H new ATOM 0 HA CYS A 56 8.129 -0.166 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.663 -0.568 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.166 0.201 4.568 1.00 0.00 H new ATOM 0 HG CYS A 56 9.502 -2.142 6.125 1.00 0.00 H new ATOM 875 N ARG A 57 9.828 1.697 1.958 1.00 0.00 N ATOM 876 CA ARG A 57 10.667 2.710 1.329 1.00 0.00 C ATOM 877 C ARG A 57 12.002 2.841 2.054 1.00 0.00 C ATOM 878 O ARG A 57 12.988 3.267 1.469 1.00 0.00 O ATOM 879 CB ARG A 57 9.934 4.066 1.279 1.00 0.00 C ATOM 880 CG ARG A 57 10.842 5.293 1.377 1.00 0.00 C ATOM 881 CD ARG A 57 11.365 5.743 0.014 1.00 0.00 C ATOM 882 NE ARG A 57 11.617 7.186 -0.028 1.00 0.00 N ATOM 883 CZ ARG A 57 12.154 7.834 -1.069 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.476 7.186 -2.184 1.00 0.00 N ATOM 885 NH2 ARG A 57 12.353 9.144 -0.994 1.00 0.00 N ATOM 0 H ARG A 57 9.037 2.071 2.482 1.00 0.00 H new ATOM 0 HA ARG A 57 10.872 2.394 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.370 4.123 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.210 4.102 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.292 6.112 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.685 5.066 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.286 5.207 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.642 5.479 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 57 11.366 7.735 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.315 6.181 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.884 7.693 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.097 9.651 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.762 9.644 -1.784 1.00 0.00 H new ATOM 899 N ARG A 58 12.027 2.524 3.337 1.00 0.00 N ATOM 900 CA ARG A 58 13.245 2.704 4.123 1.00 0.00 C ATOM 901 C ARG A 58 14.288 1.628 3.819 1.00 0.00 C ATOM 902 O ARG A 58 15.481 1.912 3.787 1.00 0.00 O ATOM 903 CB ARG A 58 12.925 2.734 5.620 1.00 0.00 C ATOM 904 CG ARG A 58 12.204 3.998 6.097 1.00 0.00 C ATOM 905 CD ARG A 58 12.260 5.141 5.089 1.00 0.00 C ATOM 906 NE ARG A 58 13.291 6.122 5.434 1.00 0.00 N ATOM 907 CZ ARG A 58 13.440 7.299 4.828 1.00 0.00 C ATOM 908 NH1 ARG A 58 12.624 7.652 3.845 1.00 0.00 N ATOM 909 NH2 ARG A 58 14.397 8.129 5.221 1.00 0.00 N ATOM 0 H ARG A 58 11.233 2.146 3.854 1.00 0.00 H new ATOM 0 HA ARG A 58 13.674 3.664 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.310 1.868 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.855 2.631 6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.162 3.757 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.648 4.329 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.459 4.740 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.289 5.635 5.045 1.00 0.00 H new ATOM 0 HE ARG A 58 13.937 5.889 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.878 7.022 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.742 8.554 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.018 7.866 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.512 9.030 4.758 1.00 0.00 H new ATOM 923 N ASP A 59 13.851 0.405 3.561 1.00 0.00 N ATOM 924 CA ASP A 59 14.789 -0.670 3.222 1.00 0.00 C ATOM 925 C ASP A 59 14.964 -0.751 1.723 1.00 0.00 C ATOM 926 O ASP A 59 16.051 -1.059 1.233 1.00 0.00 O ATOM 927 CB ASP A 59 14.347 -2.028 3.787 1.00 0.00 C ATOM 928 CG ASP A 59 12.889 -2.070 4.206 1.00 0.00 C ATOM 929 OD1 ASP A 59 12.551 -1.411 5.220 1.00 0.00 O ATOM 930 OD2 ASP A 59 12.089 -2.741 3.508 1.00 0.00 O ATOM 0 H ASP A 59 12.869 0.128 3.577 1.00 0.00 H new ATOM 0 HA ASP A 59 15.746 -0.429 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.522 -2.798 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.970 -2.274 4.647 1.00 0.00 H new ATOM 935 N TYR A 60 13.972 -0.256 1.013 1.00 0.00 N ATOM 936 CA TYR A 60 14.101 -0.052 -0.414 1.00 0.00 C ATOM 937 C TYR A 60 15.080 1.080 -0.658 1.00 0.00 C ATOM 938 O TYR A 60 15.716 1.144 -1.697 1.00 0.00 O ATOM 939 CB TYR A 60 12.722 0.239 -1.010 1.00 0.00 C ATOM 940 CG TYR A 60 12.616 1.413 -1.953 1.00 0.00 C ATOM 941 CD1 TYR A 60 12.642 2.726 -1.491 1.00 0.00 C ATOM 942 CD2 TYR A 60 12.412 1.194 -3.305 1.00 0.00 C ATOM 943 CE1 TYR A 60 12.467 3.778 -2.358 1.00 0.00 C ATOM 944 CE2 TYR A 60 12.250 2.246 -4.180 1.00 0.00 C ATOM 945 CZ TYR A 60 12.272 3.535 -3.702 1.00 0.00 C ATOM 946 OH TYR A 60 12.087 4.587 -4.564 1.00 0.00 O ATOM 0 H TYR A 60 13.068 0.012 1.401 1.00 0.00 H new ATOM 0 HA TYR A 60 14.488 -0.946 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.387 -0.653 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.025 0.401 -0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.801 2.920 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.379 0.182 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.482 4.793 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.107 2.059 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 60 11.570 5.289 -4.117 1.00 0.00 H new ATOM 1420 N LEU A 96 4.921 4.819 -6.517 1.00 0.00 N ATOM 1421 CA LEU A 96 4.492 4.725 -5.130 1.00 0.00 C ATOM 1422 C LEU A 96 3.083 4.163 -5.017 1.00 0.00 C ATOM 1423 O LEU A 96 2.162 4.619 -5.700 1.00 0.00 O ATOM 1424 CB LEU A 96 4.555 6.095 -4.449 1.00 0.00 C ATOM 1425 CG LEU A 96 4.694 7.288 -5.394 1.00 0.00 C ATOM 1426 CD1 LEU A 96 3.694 8.373 -5.034 1.00 0.00 C ATOM 1427 CD2 LEU A 96 6.113 7.830 -5.356 1.00 0.00 C ATOM 0 HA LEU A 96 5.176 4.042 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.652 6.228 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.397 6.100 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 96 4.481 6.953 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.808 9.214 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.682 7.976 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.873 8.709 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.196 8.679 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.353 8.150 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.809 7.050 -5.664 1.00 0.00 H new ATOM 1439 N ILE A 97 2.912 3.230 -4.092 1.00 0.00 N ATOM 1440 CA ILE A 97 1.603 2.675 -3.787 1.00 0.00 C ATOM 1441 C ILE A 97 0.898 3.557 -2.765 1.00 0.00 C ATOM 1442 O ILE A 97 1.548 4.252 -1.979 1.00 0.00 O ATOM 1443 CB ILE A 97 1.690 1.232 -3.235 1.00 0.00 C ATOM 1444 CG1 ILE A 97 2.931 0.517 -3.774 1.00 0.00 C ATOM 1445 CG2 ILE A 97 0.433 0.446 -3.585 1.00 0.00 C ATOM 1446 CD1 ILE A 97 3.309 -0.717 -2.984 1.00 0.00 C ATOM 0 H ILE A 97 3.672 2.839 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 97 1.040 2.643 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 97 1.771 1.291 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.755 0.234 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.771 1.212 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.514 -0.566 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.437 0.938 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.321 0.403 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.197 -1.172 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.517 -0.438 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.486 -1.431 -3.008 1.00 0.00 H new ATOM 1458 N THR A 98 -0.421 3.535 -2.788 1.00 0.00 N ATOM 1459 CA THR A 98 -1.215 4.346 -1.889 1.00 0.00 C ATOM 1460 C THR A 98 -2.522 3.636 -1.554 1.00 0.00 C ATOM 1461 O THR A 98 -2.940 2.712 -2.264 1.00 0.00 O ATOM 1462 CB THR A 98 -1.502 5.739 -2.507 1.00 0.00 C ATOM 1463 OG1 THR A 98 -1.894 6.673 -1.490 1.00 0.00 O ATOM 1464 CG2 THR A 98 -2.591 5.661 -3.569 1.00 0.00 C ATOM 0 H THR A 98 -0.968 2.958 -3.427 1.00 0.00 H new ATOM 0 HA THR A 98 -0.647 4.493 -0.970 1.00 0.00 H new ATOM 0 HB THR A 98 -0.580 6.082 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.069 7.547 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.768 6.654 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.275 4.988 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.511 5.286 -3.120 1.00 0.00 H new ATOM 1472 N ARG A 99 -3.141 4.047 -0.459 1.00 0.00 N ATOM 1473 CA ARG A 99 -4.403 3.475 -0.037 1.00 0.00 C ATOM 1474 C ARG A 99 -5.538 4.109 -0.821 1.00 0.00 C ATOM 1475 O ARG A 99 -5.578 5.330 -0.996 1.00 0.00 O ATOM 1476 CB ARG A 99 -4.622 3.690 1.460 1.00 0.00 C ATOM 1477 CG ARG A 99 -3.418 3.338 2.318 1.00 0.00 C ATOM 1478 CD ARG A 99 -3.456 1.884 2.767 1.00 0.00 C ATOM 1479 NE ARG A 99 -4.371 1.668 3.891 1.00 0.00 N ATOM 1480 CZ ARG A 99 -4.145 2.078 5.136 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -3.007 2.681 5.453 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.055 1.852 6.070 1.00 0.00 N ATOM 0 H ARG A 99 -2.785 4.779 0.155 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.381 2.403 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.885 4.734 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.473 3.090 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.503 3.522 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.391 3.989 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.760 1.256 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.453 1.569 3.054 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.241 1.169 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.295 2.834 4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.844 2.991 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.920 1.367 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.891 2.163 7.028 1.00 0.00 H new ATOM 1496 N LEU A 100 -6.432 3.282 -1.326 1.00 0.00 N ATOM 1497 CA LEU A 100 -7.546 3.763 -2.114 1.00 0.00 C ATOM 1498 C LEU A 100 -8.859 3.300 -1.512 1.00 0.00 C ATOM 1499 O LEU A 100 -8.879 2.568 -0.520 1.00 0.00 O ATOM 1500 CB LEU A 100 -7.437 3.268 -3.555 1.00 0.00 C ATOM 1501 CG LEU A 100 -7.800 4.292 -4.637 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -7.802 5.709 -4.077 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -6.830 4.188 -5.802 1.00 0.00 C ATOM 0 H LEU A 100 -6.407 2.270 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.518 4.853 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.415 2.930 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.084 2.398 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.807 4.069 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.063 6.412 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.533 5.781 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.811 5.949 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.097 4.920 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.817 4.384 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.879 3.186 -6.228 1.00 0.00 H new ATOM 1515 N GLU A 101 -9.947 3.704 -2.135 1.00 0.00 N ATOM 1516 CA GLU A 101 -11.275 3.346 -1.665 1.00 0.00 C ATOM 1517 C GLU A 101 -12.026 2.532 -2.706 1.00 0.00 C ATOM 1518 O GLU A 101 -12.020 2.858 -3.895 1.00 0.00 O ATOM 1519 CB GLU A 101 -12.079 4.594 -1.300 1.00 0.00 C ATOM 1520 CG GLU A 101 -11.538 5.871 -1.912 1.00 0.00 C ATOM 1521 CD GLU A 101 -12.632 6.863 -2.248 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -13.457 7.171 -1.363 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -12.680 7.333 -3.404 1.00 0.00 O ATOM 0 H GLU A 101 -9.940 4.284 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.152 2.734 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.111 4.457 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.095 4.700 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.834 6.332 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.981 5.629 -2.817 1.00 0.00 H new ATOM 1530 N ASN A 102 -12.719 1.513 -2.234 1.00 0.00 N ATOM 1531 CA ASN A 102 -13.566 0.684 -3.077 1.00 0.00 C ATOM 1532 C ASN A 102 -15.027 0.947 -2.720 1.00 0.00 C ATOM 1533 O ASN A 102 -15.309 1.607 -1.718 1.00 0.00 O ATOM 1534 CB ASN A 102 -13.215 -0.797 -2.878 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.018 -1.722 -3.774 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -14.257 -1.422 -4.945 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.463 -2.837 -3.219 1.00 0.00 N ATOM 0 H ASN A 102 -12.712 1.234 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.404 0.932 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.153 -0.942 -3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.387 -1.069 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.028 -3.488 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.241 -3.046 -2.246 1.00 0.00 H new ATOM 1544 N THR A 103 -15.954 0.380 -3.475 1.00 0.00 N ATOM 1545 CA THR A 103 -17.347 0.516 -3.166 1.00 0.00 C ATOM 1546 C THR A 103 -17.941 -0.802 -2.738 1.00 0.00 C ATOM 1547 O THR A 103 -18.230 -1.691 -3.538 1.00 0.00 O ATOM 1548 CB THR A 103 -18.164 1.064 -4.321 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.407 1.037 -5.543 1.00 0.00 O ATOM 1550 CG2 THR A 103 -18.610 2.477 -4.006 1.00 0.00 C ATOM 0 H THR A 103 -15.755 -0.178 -4.306 1.00 0.00 H new ATOM 0 HA THR A 103 -17.394 1.234 -2.347 1.00 0.00 H new ATOM 0 HB THR A 103 -19.043 0.434 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.954 1.393 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.196 2.867 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.220 2.473 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.735 3.109 -3.851 1.00 0.00 H new