USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 36 GLN : amide:sc= -0.627 K(o=0.23,f=-0.31) USER MOD Set 1.2: A 39 HIS : no HE2:sc= 0.861 K(o=0.23,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.14 (180deg=0) USER MOD Single : A 5 SER OG : rot -41:sc= 0.502 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.335 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 88:sc= -1.54 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -157:sc= 1.61 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -74:sc= 1.19 USER MOD Single : A 28 THR OG1 : rot 86:sc= 0.022 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 33 THR OG1 : rot 140:sc= -0.0624 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0298) USER MOD Single : A 53 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD Single : A 56 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.00055) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.797 6.666 -5.246 1.00 0.00 N ATOM 2 CA GLY A 1 26.461 6.934 -5.785 1.00 0.00 C ATOM 3 C GLY A 1 25.414 6.203 -4.963 1.00 0.00 C ATOM 4 O GLY A 1 25.736 5.653 -3.908 1.00 0.00 O ATOM 0 H1 GLY A 1 28.279 7.566 -5.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.713 6.120 -4.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.348 6.121 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.263 8.006 -5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.408 6.613 -6.825 1.00 0.00 H new ATOM 8 N PRO A 2 24.150 6.185 -5.408 1.00 0.00 N ATOM 9 CA PRO A 2 23.078 5.515 -4.691 1.00 0.00 C ATOM 10 C PRO A 2 23.298 4.002 -4.729 1.00 0.00 C ATOM 11 O PRO A 2 23.035 3.360 -5.747 1.00 0.00 O ATOM 12 CB PRO A 2 21.786 5.961 -5.379 1.00 0.00 C ATOM 13 CG PRO A 2 22.229 6.273 -6.808 1.00 0.00 C ATOM 14 CD PRO A 2 23.653 6.803 -6.628 1.00 0.00 C ATOM 0 HA PRO A 2 23.037 5.774 -3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.029 5.178 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.354 6.836 -4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.207 5.384 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.581 7.013 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 2 24.279 6.543 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.659 7.890 -6.547 1.00 0.00 H new ATOM 22 N LEU A 3 23.821 3.428 -3.642 1.00 0.00 N ATOM 23 CA LEU A 3 24.075 1.991 -3.531 1.00 0.00 C ATOM 24 C LEU A 3 22.758 1.214 -3.648 1.00 0.00 C ATOM 25 O LEU A 3 22.759 0.057 -4.072 1.00 0.00 O ATOM 26 CB LEU A 3 24.798 1.694 -2.201 1.00 0.00 C ATOM 27 CG LEU A 3 25.068 0.197 -1.933 1.00 0.00 C ATOM 28 CD1 LEU A 3 25.928 -0.443 -3.025 1.00 0.00 C ATOM 29 CD2 LEU A 3 25.790 0.018 -0.596 1.00 0.00 C ATOM 0 H LEU A 3 24.082 3.953 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 3 24.722 1.666 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 3 25.748 2.228 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 3 24.201 2.094 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 3 24.095 -0.294 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 3 26.090 -1.495 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 25.419 -0.359 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 3 26.889 0.069 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 3 25.974 -1.042 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 3 26.740 0.551 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 3 25.171 0.417 0.208 1.00 0.00 H new ATOM 41 N GLY A 4 21.638 1.830 -3.261 1.00 0.00 N ATOM 42 CA GLY A 4 20.310 1.250 -3.316 1.00 0.00 C ATOM 43 C GLY A 4 19.881 1.060 -4.766 1.00 0.00 C ATOM 44 O GLY A 4 19.268 1.946 -5.349 1.00 0.00 O ATOM 0 H GLY A 4 21.640 2.780 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.302 0.291 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.600 1.897 -2.801 1.00 0.00 H new ATOM 48 N SER A 5 20.196 -0.087 -5.366 1.00 0.00 N ATOM 49 CA SER A 5 19.848 -0.444 -6.739 1.00 0.00 C ATOM 50 C SER A 5 18.385 -0.935 -6.813 1.00 0.00 C ATOM 51 O SER A 5 18.032 -1.682 -7.723 1.00 0.00 O ATOM 52 CB SER A 5 20.862 -1.493 -7.227 1.00 0.00 C ATOM 53 OG SER A 5 20.680 -1.800 -8.598 1.00 0.00 O ATOM 0 H SER A 5 20.721 -0.821 -4.890 1.00 0.00 H new ATOM 0 HA SER A 5 19.905 0.422 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.874 -1.122 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.759 -2.402 -6.634 1.00 0.00 H new ATOM 0 HG SER A 5 19.722 -1.856 -8.796 1.00 0.00 H new ATOM 59 N THR A 6 17.574 -0.584 -5.819 1.00 0.00 N ATOM 60 CA THR A 6 16.170 -0.887 -5.620 1.00 0.00 C ATOM 61 C THR A 6 15.543 0.397 -5.066 1.00 0.00 C ATOM 62 O THR A 6 16.257 1.227 -4.486 1.00 0.00 O ATOM 63 CB THR A 6 16.020 -2.053 -4.614 1.00 0.00 C ATOM 64 OG1 THR A 6 17.051 -2.060 -3.626 1.00 0.00 O ATOM 65 CG2 THR A 6 16.043 -3.415 -5.291 1.00 0.00 C ATOM 0 H THR A 6 17.931 -0.017 -5.050 1.00 0.00 H new ATOM 0 HA THR A 6 15.682 -1.197 -6.544 1.00 0.00 H new ATOM 0 HB THR A 6 15.051 -1.883 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A 6 16.912 -2.813 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.934 -4.197 -4.539 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.221 -3.481 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 6 16.990 -3.545 -5.815 1.00 0.00 H new ATOM 73 N ASP A 7 14.229 0.574 -5.185 1.00 0.00 N ATOM 74 CA ASP A 7 13.557 1.758 -4.657 1.00 0.00 C ATOM 75 C ASP A 7 12.957 1.311 -3.326 1.00 0.00 C ATOM 76 O ASP A 7 13.661 1.249 -2.308 1.00 0.00 O ATOM 77 CB ASP A 7 12.528 2.343 -5.640 1.00 0.00 C ATOM 78 CG ASP A 7 13.169 2.902 -6.907 1.00 0.00 C ATOM 79 OD1 ASP A 7 13.378 4.135 -6.991 1.00 0.00 O ATOM 80 OD2 ASP A 7 13.466 2.089 -7.817 1.00 0.00 O ATOM 0 H ASP A 7 13.607 -0.091 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 7 14.247 2.588 -4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.812 1.568 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.967 3.134 -5.143 1.00 0.00 H new ATOM 85 N CYS A 8 11.688 0.902 -3.326 1.00 0.00 N ATOM 86 CA CYS A 8 10.940 0.435 -2.168 1.00 0.00 C ATOM 87 C CYS A 8 9.950 -0.653 -2.603 1.00 0.00 C ATOM 88 O CYS A 8 9.933 -1.083 -3.757 1.00 0.00 O ATOM 89 CB CYS A 8 10.158 1.608 -1.560 1.00 0.00 C ATOM 90 SG CYS A 8 11.178 3.060 -1.171 1.00 0.00 S ATOM 0 H CYS A 8 11.129 0.888 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 8 11.632 0.029 -1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.372 1.905 -2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.666 1.269 -0.648 1.00 0.00 H new ATOM 0 HG CYS A 8 10.428 3.994 -0.666 1.00 0.00 H new ATOM 96 N SER A 9 9.136 -1.110 -1.655 1.00 0.00 N ATOM 97 CA SER A 9 8.087 -2.100 -1.802 1.00 0.00 C ATOM 98 C SER A 9 7.150 -1.866 -0.613 1.00 0.00 C ATOM 99 O SER A 9 7.571 -1.365 0.438 1.00 0.00 O ATOM 100 CB SER A 9 8.668 -3.520 -1.838 1.00 0.00 C ATOM 101 OG SER A 9 7.653 -4.473 -1.578 1.00 0.00 O ATOM 0 H SER A 9 9.202 -0.769 -0.696 1.00 0.00 H new ATOM 0 HA SER A 9 7.547 -2.001 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.116 -3.712 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.463 -3.614 -1.098 1.00 0.00 H new ATOM 0 HG SER A 9 8.036 -5.375 -1.606 1.00 0.00 H new ATOM 107 N ILE A 10 5.874 -2.221 -0.778 1.00 0.00 N ATOM 108 CA ILE A 10 4.843 -2.076 0.243 1.00 0.00 C ATOM 109 C ILE A 10 5.218 -2.850 1.505 1.00 0.00 C ATOM 110 O ILE A 10 4.671 -2.545 2.560 1.00 0.00 O ATOM 111 CB ILE A 10 3.467 -2.492 -0.342 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.540 -1.293 -0.594 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.679 -3.572 0.423 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.233 -0.477 0.666 1.00 0.00 C ATOM 0 H ILE A 10 5.524 -2.626 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 10 4.764 -1.031 0.543 1.00 0.00 H new ATOM 0 HB ILE A 10 3.770 -2.952 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.999 -0.640 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.604 -1.652 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.738 -3.769 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.267 -4.489 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.473 -3.224 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.573 0.352 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.745 -1.115 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.162 -0.087 1.082 1.00 0.00 H new ATOM 126 N VAL A 11 6.141 -3.814 1.430 1.00 0.00 N ATOM 127 CA VAL A 11 6.567 -4.596 2.587 1.00 0.00 C ATOM 128 C VAL A 11 6.964 -3.681 3.746 1.00 0.00 C ATOM 129 O VAL A 11 6.500 -3.859 4.874 1.00 0.00 O ATOM 130 CB VAL A 11 7.712 -5.560 2.226 1.00 0.00 C ATOM 131 CG1 VAL A 11 7.203 -6.684 1.310 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.958 -4.893 1.621 1.00 0.00 C ATOM 0 H VAL A 11 6.612 -4.072 0.563 1.00 0.00 H new ATOM 0 HA VAL A 11 5.719 -5.201 2.908 1.00 0.00 H new ATOM 0 HB VAL A 11 8.045 -5.974 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.026 -7.355 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.419 -7.243 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.802 -6.252 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.707 -5.654 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.684 -4.377 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.368 -4.175 2.332 1.00 0.00 H new ATOM 142 N SER A 12 7.797 -2.685 3.461 1.00 0.00 N ATOM 143 CA SER A 12 8.283 -1.715 4.418 1.00 0.00 C ATOM 144 C SER A 12 7.131 -0.878 4.966 1.00 0.00 C ATOM 145 O SER A 12 7.064 -0.581 6.164 1.00 0.00 O ATOM 146 CB SER A 12 9.274 -0.819 3.669 1.00 0.00 C ATOM 147 OG SER A 12 10.320 -1.577 3.082 1.00 0.00 O ATOM 0 H SER A 12 8.161 -2.532 2.521 1.00 0.00 H new ATOM 0 HA SER A 12 8.758 -2.210 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.748 -0.262 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.696 -0.087 4.357 1.00 0.00 H new ATOM 0 HG SER A 12 10.934 -0.976 2.610 1.00 0.00 H new ATOM 153 N PHE A 13 6.214 -0.488 4.079 1.00 0.00 N ATOM 154 CA PHE A 13 5.092 0.329 4.490 1.00 0.00 C ATOM 155 C PHE A 13 4.197 -0.456 5.443 1.00 0.00 C ATOM 156 O PHE A 13 3.872 0.024 6.526 1.00 0.00 O ATOM 157 CB PHE A 13 4.361 0.815 3.250 1.00 0.00 C ATOM 158 CG PHE A 13 3.293 1.831 3.563 1.00 0.00 C ATOM 159 CD1 PHE A 13 1.933 1.512 3.388 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.675 3.126 3.960 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.952 2.494 3.580 1.00 0.00 C ATOM 162 CE2 PHE A 13 2.691 4.100 4.183 1.00 0.00 C ATOM 163 CZ PHE A 13 1.339 3.769 4.019 1.00 0.00 C ATOM 0 H PHE A 13 6.232 -0.725 3.087 1.00 0.00 H new ATOM 0 HA PHE A 13 5.431 1.207 5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.080 1.252 2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.908 -0.037 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.646 0.510 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.719 3.368 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.088 2.272 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.973 5.099 4.479 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.582 4.508 4.234 1.00 0.00 H new ATOM 173 N PHE A 14 3.830 -1.680 5.067 1.00 0.00 N ATOM 174 CA PHE A 14 2.992 -2.559 5.866 1.00 0.00 C ATOM 175 C PHE A 14 3.646 -2.844 7.210 1.00 0.00 C ATOM 176 O PHE A 14 2.949 -2.825 8.227 1.00 0.00 O ATOM 177 CB PHE A 14 2.681 -3.833 5.075 1.00 0.00 C ATOM 178 CG PHE A 14 1.586 -3.689 4.026 1.00 0.00 C ATOM 179 CD1 PHE A 14 1.101 -4.850 3.403 1.00 0.00 C ATOM 180 CD2 PHE A 14 1.032 -2.439 3.670 1.00 0.00 C ATOM 181 CE1 PHE A 14 0.119 -4.771 2.405 1.00 0.00 C ATOM 182 CE2 PHE A 14 0.048 -2.348 2.676 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.389 -3.519 2.024 1.00 0.00 C ATOM 0 H PHE A 14 4.115 -2.093 4.179 1.00 0.00 H new ATOM 0 HA PHE A 14 2.043 -2.069 6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.594 -4.168 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.391 -4.616 5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.489 -5.815 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.371 -1.543 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.245 -5.670 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.372 -1.389 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.117 -3.453 1.229 1.00 0.00 H new ATOM 193 N ALA A 15 4.969 -3.040 7.224 1.00 0.00 N ATOM 194 CA ALA A 15 5.703 -3.282 8.452 1.00 0.00 C ATOM 195 C ALA A 15 5.463 -2.094 9.389 1.00 0.00 C ATOM 196 O ALA A 15 5.190 -2.299 10.573 1.00 0.00 O ATOM 197 CB ALA A 15 7.191 -3.489 8.163 1.00 0.00 C ATOM 0 H ALA A 15 5.550 -3.034 6.386 1.00 0.00 H new ATOM 0 HA ALA A 15 5.352 -4.196 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.722 -3.669 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.318 -4.347 7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.595 -2.599 7.682 1.00 0.00 H new ATOM 203 N ARG A 16 5.538 -0.852 8.878 1.00 0.00 N ATOM 204 CA ARG A 16 5.284 0.312 9.725 1.00 0.00 C ATOM 205 C ARG A 16 3.828 0.349 10.177 1.00 0.00 C ATOM 206 O ARG A 16 3.580 0.584 11.361 1.00 0.00 O ATOM 207 CB ARG A 16 5.606 1.632 9.018 1.00 0.00 C ATOM 208 CG ARG A 16 7.101 1.830 8.752 1.00 0.00 C ATOM 209 CD ARG A 16 7.497 3.310 8.807 1.00 0.00 C ATOM 210 NE ARG A 16 6.675 4.183 7.949 1.00 0.00 N ATOM 211 CZ ARG A 16 6.976 5.429 7.557 1.00 0.00 C ATOM 212 NH1 ARG A 16 8.125 6.008 7.888 1.00 0.00 N ATOM 213 NH2 ARG A 16 6.087 6.101 6.839 1.00 0.00 N ATOM 0 H ARG A 16 5.767 -0.638 7.907 1.00 0.00 H new ATOM 0 HA ARG A 16 5.944 0.208 10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.068 1.669 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.240 2.460 9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.679 1.271 9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.353 1.422 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.423 3.657 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.542 3.407 8.512 1.00 0.00 H new ATOM 0 HE ARG A 16 5.788 3.800 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.806 5.503 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.326 6.958 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.196 5.668 6.596 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.294 7.051 6.530 1.00 0.00 H new ATOM 227 N LEU A 17 2.869 0.071 9.283 1.00 0.00 N ATOM 228 CA LEU A 17 1.453 0.114 9.636 1.00 0.00 C ATOM 229 C LEU A 17 1.130 -0.913 10.720 1.00 0.00 C ATOM 230 O LEU A 17 0.233 -0.668 11.521 1.00 0.00 O ATOM 231 CB LEU A 17 0.544 -0.108 8.416 1.00 0.00 C ATOM 232 CG LEU A 17 0.612 0.934 7.277 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.549 0.698 6.301 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.574 2.396 7.738 1.00 0.00 C ATOM 0 H LEU A 17 3.053 -0.185 8.313 1.00 0.00 H new ATOM 0 HA LEU A 17 1.255 1.114 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.781 -1.084 7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.486 -0.155 8.768 1.00 0.00 H new ATOM 0 HG LEU A 17 1.583 0.787 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.503 1.432 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.473 -0.305 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.496 0.799 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.627 3.053 6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.354 2.583 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.422 2.593 8.394 1.00 0.00 H new ATOM 246 N GLY A 18 1.895 -2.001 10.816 1.00 0.00 N ATOM 247 CA GLY A 18 1.737 -3.050 11.797 1.00 0.00 C ATOM 248 C GLY A 18 0.885 -4.168 11.237 1.00 0.00 C ATOM 249 O GLY A 18 0.496 -5.069 11.984 1.00 0.00 O ATOM 0 H GLY A 18 2.673 -2.173 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.714 -3.438 12.086 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.275 -2.648 12.698 1.00 0.00 H new ATOM 253 N CYS A 19 0.571 -4.100 9.940 1.00 0.00 N ATOM 254 CA CYS A 19 -0.249 -5.077 9.286 1.00 0.00 C ATOM 255 C CYS A 19 0.608 -6.265 8.846 1.00 0.00 C ATOM 256 O CYS A 19 1.652 -6.051 8.225 1.00 0.00 O ATOM 257 CB CYS A 19 -1.080 -4.376 8.203 1.00 0.00 C ATOM 258 SG CYS A 19 -0.077 -3.672 6.888 1.00 0.00 S ATOM 0 H CYS A 19 0.890 -3.352 9.325 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.984 -5.527 9.954 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.782 -5.090 7.773 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.672 -3.585 8.663 1.00 0.00 H new ATOM 0 HG CYS A 19 0.132 -4.571 5.973 1.00 0.00 H new ATOM 264 N SER A 20 0.163 -7.495 9.134 1.00 0.00 N ATOM 265 CA SER A 20 0.898 -8.711 8.786 1.00 0.00 C ATOM 266 C SER A 20 0.100 -9.664 7.907 1.00 0.00 C ATOM 267 O SER A 20 0.632 -10.060 6.875 1.00 0.00 O ATOM 268 CB SER A 20 1.454 -9.405 10.029 1.00 0.00 C ATOM 269 OG SER A 20 2.208 -8.503 10.819 1.00 0.00 O ATOM 0 H SER A 20 -0.719 -7.672 9.616 1.00 0.00 H new ATOM 0 HA SER A 20 1.746 -8.393 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.634 -9.813 10.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.081 -10.245 9.731 1.00 0.00 H new ATOM 0 HG SER A 20 2.552 -8.969 11.609 1.00 0.00 H new ATOM 275 N SER A 21 -1.159 -10.000 8.223 1.00 0.00 N ATOM 276 CA SER A 21 -1.916 -10.914 7.363 1.00 0.00 C ATOM 277 C SER A 21 -1.994 -10.362 5.938 1.00 0.00 C ATOM 278 O SER A 21 -1.935 -11.107 4.968 1.00 0.00 O ATOM 279 CB SER A 21 -3.349 -11.104 7.877 1.00 0.00 C ATOM 280 OG SER A 21 -3.421 -11.303 9.277 1.00 0.00 O ATOM 0 H SER A 21 -1.661 -9.663 9.044 1.00 0.00 H new ATOM 0 HA SER A 21 -1.395 -11.871 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.942 -10.229 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.798 -11.959 7.372 1.00 0.00 H new ATOM 0 HG SER A 21 -4.357 -11.416 9.544 1.00 0.00 H new ATOM 286 N CYS A 22 -2.120 -9.040 5.808 1.00 0.00 N ATOM 287 CA CYS A 22 -2.220 -8.412 4.510 1.00 0.00 C ATOM 288 C CYS A 22 -0.895 -8.492 3.771 1.00 0.00 C ATOM 289 O CYS A 22 -0.923 -8.599 2.551 1.00 0.00 O ATOM 290 CB CYS A 22 -2.754 -6.989 4.661 1.00 0.00 C ATOM 291 SG CYS A 22 -4.427 -7.121 5.359 1.00 0.00 S ATOM 0 H CYS A 22 -2.154 -8.391 6.594 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.937 -8.951 3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.109 -6.402 5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.777 -6.481 3.697 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.102 -6.047 5.074 1.00 0.00 H new ATOM 297 N LEU A 23 0.249 -8.414 4.462 1.00 0.00 N ATOM 298 CA LEU A 23 1.540 -8.518 3.797 1.00 0.00 C ATOM 299 C LEU A 23 1.669 -9.940 3.256 1.00 0.00 C ATOM 300 O LEU A 23 2.130 -10.099 2.130 1.00 0.00 O ATOM 301 CB LEU A 23 2.691 -8.066 4.729 1.00 0.00 C ATOM 302 CG LEU A 23 3.495 -9.173 5.450 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.599 -9.743 4.549 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.135 -8.654 6.741 1.00 0.00 C ATOM 0 H LEU A 23 0.301 -8.280 5.472 1.00 0.00 H new ATOM 0 HA LEU A 23 1.611 -7.835 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.389 -7.472 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.271 -7.405 5.488 1.00 0.00 H new ATOM 0 HG LEU A 23 2.783 -9.961 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.144 -10.518 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.152 -10.170 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.286 -8.946 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.692 -9.459 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.813 -7.834 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.356 -8.299 7.416 1.00 0.00 H new ATOM 316 N ASP A 24 1.234 -10.950 4.016 1.00 0.00 N ATOM 317 CA ASP A 24 1.288 -12.359 3.631 1.00 0.00 C ATOM 318 C ASP A 24 0.489 -12.556 2.348 1.00 0.00 C ATOM 319 O ASP A 24 1.027 -13.039 1.353 1.00 0.00 O ATOM 320 CB ASP A 24 0.763 -13.226 4.778 1.00 0.00 C ATOM 321 CG ASP A 24 0.694 -14.712 4.428 1.00 0.00 C ATOM 322 OD1 ASP A 24 1.711 -15.421 4.606 1.00 0.00 O ATOM 323 OD2 ASP A 24 -0.414 -15.210 4.131 1.00 0.00 O ATOM 0 H ASP A 24 0.825 -10.804 4.939 1.00 0.00 H new ATOM 0 HA ASP A 24 2.316 -12.664 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.406 -13.094 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.231 -12.880 5.061 1.00 0.00 H new ATOM 328 N TYR A 25 -0.755 -12.073 2.322 1.00 0.00 N ATOM 329 CA TYR A 25 -1.601 -12.188 1.146 1.00 0.00 C ATOM 330 C TYR A 25 -0.983 -11.419 -0.029 1.00 0.00 C ATOM 331 O TYR A 25 -0.845 -11.974 -1.114 1.00 0.00 O ATOM 332 CB TYR A 25 -3.031 -11.709 1.451 1.00 0.00 C ATOM 333 CG TYR A 25 -3.702 -12.323 2.674 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.501 -11.514 3.507 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.506 -13.679 3.012 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.050 -12.031 4.693 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.050 -14.204 4.196 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.804 -13.374 5.054 1.00 0.00 C ATOM 339 OH TYR A 25 -5.269 -13.843 6.244 1.00 0.00 O ATOM 0 H TYR A 25 -1.195 -11.597 3.110 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.666 -13.238 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.009 -10.627 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.654 -11.914 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.693 -10.488 3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.934 -14.318 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.658 -11.403 5.327 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.892 -15.242 4.450 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.019 -14.785 6.345 1.00 0.00 H new ATOM 349 N PHE A 26 -0.576 -10.158 0.155 1.00 0.00 N ATOM 350 CA PHE A 26 0.005 -9.342 -0.909 1.00 0.00 C ATOM 351 C PHE A 26 1.271 -9.950 -1.505 1.00 0.00 C ATOM 352 O PHE A 26 1.450 -9.934 -2.728 1.00 0.00 O ATOM 353 CB PHE A 26 0.312 -7.935 -0.390 1.00 0.00 C ATOM 354 CG PHE A 26 -0.700 -6.896 -0.802 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.476 -6.127 -1.958 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.874 -6.708 -0.054 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.398 -5.148 -2.344 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.796 -5.725 -0.438 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.553 -4.942 -1.577 1.00 0.00 C ATOM 0 H PHE A 26 -0.642 -9.676 1.051 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.739 -9.298 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.366 -7.964 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.295 -7.632 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.412 -6.293 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.066 -7.320 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.221 -4.554 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.693 -5.570 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.259 -4.177 -1.864 1.00 0.00 H new ATOM 369 N THR A 27 2.180 -10.434 -0.658 1.00 0.00 N ATOM 370 CA THR A 27 3.422 -11.030 -1.121 1.00 0.00 C ATOM 371 C THR A 27 3.097 -12.287 -1.919 1.00 0.00 C ATOM 372 O THR A 27 3.618 -12.441 -3.026 1.00 0.00 O ATOM 373 CB THR A 27 4.414 -11.279 0.034 1.00 0.00 C ATOM 374 OG1 THR A 27 3.831 -11.983 1.112 1.00 0.00 O ATOM 375 CG2 THR A 27 4.989 -9.983 0.612 1.00 0.00 C ATOM 0 H THR A 27 2.073 -10.422 0.356 1.00 0.00 H new ATOM 0 HA THR A 27 3.937 -10.331 -1.780 1.00 0.00 H new ATOM 0 HB THR A 27 5.206 -11.873 -0.422 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.236 -11.384 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.680 -10.220 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.519 -9.439 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.178 -9.365 0.998 1.00 0.00 H new ATOM 383 N THR A 28 2.197 -13.138 -1.420 1.00 0.00 N ATOM 384 CA THR A 28 1.808 -14.341 -2.125 1.00 0.00 C ATOM 385 C THR A 28 1.155 -13.971 -3.460 1.00 0.00 C ATOM 386 O THR A 28 1.481 -14.606 -4.465 1.00 0.00 O ATOM 387 CB THR A 28 0.904 -15.198 -1.225 1.00 0.00 C ATOM 388 OG1 THR A 28 1.667 -15.749 -0.171 1.00 0.00 O ATOM 389 CG2 THR A 28 0.242 -16.352 -1.979 1.00 0.00 C ATOM 0 H THR A 28 1.727 -13.006 -0.524 1.00 0.00 H new ATOM 0 HA THR A 28 2.684 -14.946 -2.361 1.00 0.00 H new ATOM 0 HB THR A 28 0.122 -14.538 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.713 -15.108 0.569 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.384 -16.923 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.373 -15.954 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.011 -17.003 -2.395 1.00 0.00 H new ATOM 397 N GLN A 29 0.290 -12.948 -3.531 1.00 0.00 N ATOM 398 CA GLN A 29 -0.349 -12.581 -4.784 1.00 0.00 C ATOM 399 C GLN A 29 0.714 -12.044 -5.760 1.00 0.00 C ATOM 400 O GLN A 29 0.608 -12.260 -6.968 1.00 0.00 O ATOM 401 CB GLN A 29 -1.426 -11.519 -4.506 1.00 0.00 C ATOM 402 CG GLN A 29 -2.618 -11.961 -3.635 1.00 0.00 C ATOM 403 CD GLN A 29 -3.744 -12.592 -4.440 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.702 -13.785 -4.736 1.00 0.00 O ATOM 405 NE2 GLN A 29 -4.781 -11.845 -4.788 1.00 0.00 N ATOM 0 H GLN A 29 0.024 -12.369 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.824 -13.451 -5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.948 -10.667 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.814 -11.168 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.270 -12.674 -2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.006 -11.097 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.805 -10.857 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.556 -12.258 -5.307 1.00 0.00 H new ATOM 414 N GLY A 30 1.806 -11.471 -5.236 1.00 0.00 N ATOM 415 CA GLY A 30 2.906 -10.937 -6.019 1.00 0.00 C ATOM 416 C GLY A 30 2.581 -9.601 -6.658 1.00 0.00 C ATOM 417 O GLY A 30 3.130 -9.293 -7.714 1.00 0.00 O ATOM 0 H GLY A 30 1.943 -11.368 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.781 -10.824 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.172 -11.652 -6.798 1.00 0.00 H new ATOM 421 N LEU A 31 1.744 -8.796 -6.006 1.00 0.00 N ATOM 422 CA LEU A 31 1.280 -7.489 -6.498 1.00 0.00 C ATOM 423 C LEU A 31 1.503 -6.352 -5.496 1.00 0.00 C ATOM 424 O LEU A 31 0.736 -5.394 -5.435 1.00 0.00 O ATOM 425 CB LEU A 31 -0.194 -7.616 -6.945 1.00 0.00 C ATOM 426 CG LEU A 31 -1.106 -8.448 -6.031 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.172 -7.922 -4.595 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.522 -8.575 -6.588 1.00 0.00 C ATOM 0 H LEU A 31 1.356 -9.037 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 31 1.887 -7.208 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.615 -6.614 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.214 -8.056 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.643 -9.434 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.833 -8.557 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.174 -7.932 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.556 -6.902 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.129 -9.172 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.962 -7.583 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.487 -9.061 -7.563 1.00 0.00 H new ATOM 440 N THR A 32 2.508 -6.483 -4.637 1.00 0.00 N ATOM 441 CA THR A 32 2.823 -5.479 -3.627 1.00 0.00 C ATOM 442 C THR A 32 3.751 -4.424 -4.225 1.00 0.00 C ATOM 443 O THR A 32 4.899 -4.728 -4.569 1.00 0.00 O ATOM 444 CB THR A 32 3.428 -6.242 -2.422 1.00 0.00 C ATOM 445 OG1 THR A 32 4.140 -5.436 -1.524 1.00 0.00 O ATOM 446 CG2 THR A 32 4.324 -7.452 -2.736 1.00 0.00 C ATOM 0 H THR A 32 3.130 -7.292 -4.622 1.00 0.00 H new ATOM 0 HA THR A 32 1.946 -4.930 -3.284 1.00 0.00 H new ATOM 0 HB THR A 32 2.506 -6.612 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.488 -5.989 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.680 -7.893 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.752 -8.194 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.176 -7.128 -3.333 1.00 0.00 H new ATOM 454 N THR A 33 3.302 -3.163 -4.273 1.00 0.00 N ATOM 455 CA THR A 33 4.096 -2.073 -4.798 1.00 0.00 C ATOM 456 C THR A 33 3.598 -0.752 -4.201 1.00 0.00 C ATOM 457 O THR A 33 2.424 -0.627 -3.861 1.00 0.00 O ATOM 458 CB THR A 33 3.984 -2.133 -6.341 1.00 0.00 C ATOM 459 OG1 THR A 33 4.128 -0.842 -6.904 1.00 0.00 O ATOM 460 CG2 THR A 33 2.710 -2.853 -6.880 1.00 0.00 C ATOM 0 H THR A 33 2.377 -2.882 -3.946 1.00 0.00 H new ATOM 0 HA THR A 33 5.149 -2.151 -4.526 1.00 0.00 H new ATOM 0 HB THR A 33 4.812 -2.763 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.667 -0.899 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.721 -2.844 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.697 -3.884 -6.525 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.820 -2.335 -6.522 1.00 0.00 H new ATOM 468 N ILE A 34 4.500 0.219 -4.028 1.00 0.00 N ATOM 469 CA ILE A 34 4.167 1.550 -3.503 1.00 0.00 C ATOM 470 C ILE A 34 3.570 2.455 -4.592 1.00 0.00 C ATOM 471 O ILE A 34 2.504 3.045 -4.447 1.00 0.00 O ATOM 472 CB ILE A 34 5.340 2.229 -2.756 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.130 1.223 -1.883 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.769 3.375 -1.902 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.791 1.796 -0.621 1.00 0.00 C ATOM 0 H ILE A 34 5.489 0.104 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 34 3.396 1.393 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 34 6.049 2.623 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.452 0.424 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.905 0.769 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.580 3.868 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.270 4.097 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.052 2.973 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.314 1.000 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.502 2.573 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.027 2.223 0.028 1.00 0.00 H new ATOM 487 N TYR A 35 4.296 2.577 -5.702 1.00 0.00 N ATOM 488 CA TYR A 35 3.955 3.412 -6.848 1.00 0.00 C ATOM 489 C TYR A 35 2.602 3.054 -7.438 1.00 0.00 C ATOM 490 O TYR A 35 1.909 3.908 -7.996 1.00 0.00 O ATOM 491 CB TYR A 35 5.055 3.264 -7.905 1.00 0.00 C ATOM 492 CG TYR A 35 6.432 3.592 -7.370 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.215 2.585 -6.772 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.874 4.927 -7.367 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.408 2.923 -6.114 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.082 5.266 -6.739 1.00 0.00 C ATOM 497 CZ TYR A 35 8.841 4.269 -6.090 1.00 0.00 C ATOM 498 OH TYR A 35 9.931 4.609 -5.355 1.00 0.00 O ATOM 0 H TYR A 35 5.174 2.075 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 35 3.886 4.447 -6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.052 2.242 -8.285 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.833 3.918 -8.748 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.898 1.554 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.283 5.692 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.994 2.157 -5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.430 6.288 -6.752 1.00 0.00 H new ATOM 0 HH TYR A 35 10.099 5.570 -5.444 1.00 0.00 H new ATOM 508 N GLN A 36 2.225 1.782 -7.335 1.00 0.00 N ATOM 509 CA GLN A 36 0.953 1.349 -7.872 1.00 0.00 C ATOM 510 C GLN A 36 -0.176 1.864 -6.994 1.00 0.00 C ATOM 511 O GLN A 36 -1.076 2.516 -7.515 1.00 0.00 O ATOM 512 CB GLN A 36 0.924 -0.167 -8.047 1.00 0.00 C ATOM 513 CG GLN A 36 1.725 -0.679 -9.264 1.00 0.00 C ATOM 514 CD GLN A 36 1.631 0.202 -10.506 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.558 0.529 -11.005 1.00 0.00 O ATOM 516 NE2 GLN A 36 2.761 0.666 -10.999 1.00 0.00 N ATOM 0 H GLN A 36 2.777 1.049 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 36 0.813 1.773 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.319 -0.633 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.112 -0.490 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.773 -0.771 -8.979 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.374 -1.679 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.650 0.392 -10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.747 1.299 -11.798 1.00 0.00 H new ATOM 525 N ILE A 37 -0.137 1.634 -5.681 1.00 0.00 N ATOM 526 CA ILE A 37 -1.190 2.108 -4.781 1.00 0.00 C ATOM 527 C ILE A 37 -1.277 3.637 -4.732 1.00 0.00 C ATOM 528 O ILE A 37 -2.295 4.162 -4.289 1.00 0.00 O ATOM 529 CB ILE A 37 -1.061 1.473 -3.391 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.256 1.903 -2.734 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.155 -0.056 -3.532 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.387 1.466 -1.292 1.00 0.00 C ATOM 0 H ILE A 37 0.613 1.122 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.143 1.776 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.871 1.813 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.088 1.492 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.340 2.989 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.064 -0.518 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.116 -0.322 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.351 -0.412 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.343 1.806 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.424 1.898 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.336 0.379 -1.235 1.00 0.00 H new ATOM 544 N GLU A 38 -0.246 4.353 -5.193 1.00 0.00 N ATOM 545 CA GLU A 38 -0.259 5.810 -5.221 1.00 0.00 C ATOM 546 C GLU A 38 -1.324 6.259 -6.239 1.00 0.00 C ATOM 547 O GLU A 38 -1.884 7.343 -6.080 1.00 0.00 O ATOM 548 CB GLU A 38 1.148 6.339 -5.565 1.00 0.00 C ATOM 549 CG GLU A 38 1.517 7.701 -4.944 1.00 0.00 C ATOM 550 CD GLU A 38 0.708 8.909 -5.430 1.00 0.00 C ATOM 551 OE1 GLU A 38 0.147 9.639 -4.579 1.00 0.00 O ATOM 552 OE2 GLU A 38 0.662 9.168 -6.657 1.00 0.00 O ATOM 0 H GLU A 38 0.613 3.938 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.518 6.222 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.883 5.602 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.232 6.419 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.404 7.626 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.572 7.893 -5.142 1.00 0.00 H new ATOM 559 N HIS A 39 -1.618 5.441 -7.265 1.00 0.00 N ATOM 560 CA HIS A 39 -2.623 5.753 -8.279 1.00 0.00 C ATOM 561 C HIS A 39 -3.824 4.801 -8.239 1.00 0.00 C ATOM 562 O HIS A 39 -4.896 5.221 -8.673 1.00 0.00 O ATOM 563 CB HIS A 39 -2.003 5.830 -9.681 1.00 0.00 C ATOM 564 CG HIS A 39 -2.061 4.554 -10.490 1.00 0.00 C ATOM 565 ND1 HIS A 39 -1.577 3.313 -10.141 1.00 0.00 N ATOM 566 CD2 HIS A 39 -2.738 4.411 -11.666 1.00 0.00 C ATOM 567 CE1 HIS A 39 -1.950 2.442 -11.092 1.00 0.00 C ATOM 568 NE2 HIS A 39 -2.656 3.068 -12.048 1.00 0.00 N ATOM 0 H HIS A 39 -1.159 4.542 -7.409 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.012 6.742 -8.035 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.509 6.617 -10.240 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.960 6.129 -9.582 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.032 3.094 -9.307 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.247 5.196 -12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.716 1.388 -11.089 1.00 0.00 H new ATOM 576 N TYR A 40 -3.694 3.582 -7.696 1.00 0.00 N ATOM 577 CA TYR A 40 -4.800 2.635 -7.594 1.00 0.00 C ATOM 578 C TYR A 40 -5.710 3.232 -6.521 1.00 0.00 C ATOM 579 O TYR A 40 -5.360 3.252 -5.338 1.00 0.00 O ATOM 580 CB TYR A 40 -4.349 1.181 -7.287 1.00 0.00 C ATOM 581 CG TYR A 40 -3.856 0.357 -8.479 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.718 -0.491 -8.408 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.601 0.391 -9.675 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.311 -1.209 -9.554 1.00 0.00 C ATOM 585 CE2 TYR A 40 -4.182 -0.304 -10.818 1.00 0.00 C ATOM 586 CZ TYR A 40 -3.012 -1.086 -10.776 1.00 0.00 C ATOM 587 OH TYR A 40 -2.603 -1.768 -11.879 1.00 0.00 O ATOM 0 H TYR A 40 -2.815 3.230 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.319 2.517 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.552 1.220 -6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.185 0.653 -6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.168 -0.586 -7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.515 0.965 -9.712 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.452 -1.861 -9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.756 -0.240 -11.730 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.201 -1.566 -12.629 1.00 0.00 H new ATOM 597 N SER A 41 -6.839 3.802 -6.939 1.00 0.00 N ATOM 598 CA SER A 41 -7.787 4.433 -6.037 1.00 0.00 C ATOM 599 C SER A 41 -8.514 3.412 -5.159 1.00 0.00 C ATOM 600 O SER A 41 -8.394 2.197 -5.328 1.00 0.00 O ATOM 601 CB SER A 41 -8.779 5.289 -6.840 1.00 0.00 C ATOM 602 OG SER A 41 -8.128 6.075 -7.825 1.00 0.00 O ATOM 0 H SER A 41 -7.119 3.837 -7.919 1.00 0.00 H new ATOM 0 HA SER A 41 -7.230 5.081 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.512 4.640 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.328 5.941 -6.160 1.00 0.00 H new ATOM 0 HG SER A 41 -8.793 6.603 -8.314 1.00 0.00 H new ATOM 608 N MET A 42 -9.325 3.933 -4.235 1.00 0.00 N ATOM 609 CA MET A 42 -10.114 3.163 -3.283 1.00 0.00 C ATOM 610 C MET A 42 -10.956 2.054 -3.936 1.00 0.00 C ATOM 611 O MET A 42 -11.169 1.011 -3.308 1.00 0.00 O ATOM 612 CB MET A 42 -10.966 4.133 -2.449 1.00 0.00 C ATOM 613 CG MET A 42 -12.033 4.918 -3.221 1.00 0.00 C ATOM 614 SD MET A 42 -13.167 5.824 -2.134 1.00 0.00 S ATOM 615 CE MET A 42 -14.186 6.641 -3.390 1.00 0.00 C ATOM 0 H MET A 42 -9.452 4.940 -4.129 1.00 0.00 H new ATOM 0 HA MET A 42 -9.428 2.626 -2.627 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.459 3.566 -1.659 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.300 4.845 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 42 -11.543 5.622 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.606 4.229 -3.842 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.947 7.249 -2.902 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.556 7.278 -4.012 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.668 5.888 -4.013 1.00 0.00 H new ATOM 625 N ASP A 43 -11.411 2.278 -5.173 1.00 0.00 N ATOM 626 CA ASP A 43 -12.216 1.348 -5.959 1.00 0.00 C ATOM 627 C ASP A 43 -11.384 0.158 -6.430 1.00 0.00 C ATOM 628 O ASP A 43 -11.783 -0.983 -6.209 1.00 0.00 O ATOM 629 CB ASP A 43 -12.793 2.073 -7.177 1.00 0.00 C ATOM 630 CG ASP A 43 -13.394 1.066 -8.158 1.00 0.00 C ATOM 631 OD1 ASP A 43 -12.705 0.717 -9.140 1.00 0.00 O ATOM 632 OD2 ASP A 43 -14.550 0.625 -7.965 1.00 0.00 O ATOM 0 H ASP A 43 -11.219 3.148 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.022 0.977 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -13.558 2.782 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.010 2.649 -7.670 1.00 0.00 H new ATOM 637 N ASP A 44 -10.217 0.402 -7.040 1.00 0.00 N ATOM 638 CA ASP A 44 -9.339 -0.672 -7.520 1.00 0.00 C ATOM 639 C ASP A 44 -8.934 -1.523 -6.325 1.00 0.00 C ATOM 640 O ASP A 44 -8.878 -2.749 -6.407 1.00 0.00 O ATOM 641 CB ASP A 44 -8.090 -0.130 -8.232 1.00 0.00 C ATOM 642 CG ASP A 44 -8.128 -0.406 -9.734 1.00 0.00 C ATOM 643 OD1 ASP A 44 -8.222 0.572 -10.511 1.00 0.00 O ATOM 644 OD2 ASP A 44 -8.015 -1.582 -10.149 1.00 0.00 O ATOM 0 H ASP A 44 -9.858 1.341 -7.213 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.883 -1.266 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.012 0.944 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.199 -0.587 -7.801 1.00 0.00 H new ATOM 649 N LEU A 45 -8.683 -0.870 -5.187 1.00 0.00 N ATOM 650 CA LEU A 45 -8.317 -1.546 -3.958 1.00 0.00 C ATOM 651 C LEU A 45 -9.438 -2.514 -3.583 1.00 0.00 C ATOM 652 O LEU A 45 -9.158 -3.687 -3.347 1.00 0.00 O ATOM 653 CB LEU A 45 -8.068 -0.517 -2.845 1.00 0.00 C ATOM 654 CG LEU A 45 -6.576 -0.268 -2.589 1.00 0.00 C ATOM 655 CD1 LEU A 45 -5.865 0.346 -3.799 1.00 0.00 C ATOM 656 CD2 LEU A 45 -6.401 0.654 -1.383 1.00 0.00 C ATOM 0 H LEU A 45 -8.730 0.145 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.394 -2.109 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.548 0.424 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.537 -0.864 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.121 -1.240 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.812 0.501 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.950 -0.328 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.326 1.302 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.339 0.826 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.895 1.606 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.844 0.189 -0.502 1.00 0.00 H new ATOM 668 N ALA A 46 -10.690 -2.042 -3.534 1.00 0.00 N ATOM 669 CA ALA A 46 -11.830 -2.889 -3.194 1.00 0.00 C ATOM 670 C ALA A 46 -11.977 -4.035 -4.202 1.00 0.00 C ATOM 671 O ALA A 46 -12.235 -5.175 -3.804 1.00 0.00 O ATOM 672 CB ALA A 46 -13.113 -2.054 -3.122 1.00 0.00 C ATOM 0 H ALA A 46 -10.935 -1.071 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.653 -3.328 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.954 -2.700 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.003 -1.284 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.296 -1.584 -4.088 1.00 0.00 H new ATOM 678 N SER A 47 -11.767 -3.744 -5.486 1.00 0.00 N ATOM 679 CA SER A 47 -11.859 -4.681 -6.592 1.00 0.00 C ATOM 680 C SER A 47 -10.849 -5.815 -6.452 1.00 0.00 C ATOM 681 O SER A 47 -11.169 -6.969 -6.758 1.00 0.00 O ATOM 682 CB SER A 47 -11.646 -3.892 -7.890 1.00 0.00 C ATOM 683 OG SER A 47 -11.849 -4.673 -9.049 1.00 0.00 O ATOM 0 H SER A 47 -11.517 -2.803 -5.791 1.00 0.00 H new ATOM 0 HA SER A 47 -12.841 -5.154 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.327 -3.041 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.633 -3.490 -7.902 1.00 0.00 H new ATOM 0 HG SER A 47 -11.702 -4.121 -9.845 1.00 0.00 H new ATOM 689 N LEU A 48 -9.656 -5.526 -5.933 1.00 0.00 N ATOM 690 CA LEU A 48 -8.558 -6.463 -5.708 1.00 0.00 C ATOM 691 C LEU A 48 -8.809 -7.353 -4.482 1.00 0.00 C ATOM 692 O LEU A 48 -7.862 -7.816 -3.843 1.00 0.00 O ATOM 693 CB LEU A 48 -7.245 -5.658 -5.618 1.00 0.00 C ATOM 694 CG LEU A 48 -6.810 -5.120 -6.994 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.835 -3.946 -6.862 1.00 0.00 C ATOM 696 CD2 LEU A 48 -6.150 -6.231 -7.814 1.00 0.00 C ATOM 0 H LEU A 48 -9.417 -4.578 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.482 -7.158 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.375 -4.825 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.457 -6.291 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.708 -4.767 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.552 -3.595 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.314 -3.135 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.944 -4.271 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.848 -5.837 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.273 -6.602 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.859 -7.046 -7.959 1.00 0.00 H new ATOM 708 N LYS A 49 -10.083 -7.588 -4.146 1.00 0.00 N ATOM 709 CA LYS A 49 -10.606 -8.396 -3.043 1.00 0.00 C ATOM 710 C LYS A 49 -10.343 -7.780 -1.662 1.00 0.00 C ATOM 711 O LYS A 49 -10.824 -8.307 -0.657 1.00 0.00 O ATOM 712 CB LYS A 49 -10.082 -9.850 -3.116 1.00 0.00 C ATOM 713 CG LYS A 49 -10.092 -10.560 -4.483 1.00 0.00 C ATOM 714 CD LYS A 49 -11.455 -10.523 -5.181 1.00 0.00 C ATOM 715 CE LYS A 49 -11.479 -11.334 -6.481 1.00 0.00 C ATOM 716 NZ LYS A 49 -11.394 -12.788 -6.240 1.00 0.00 N ATOM 0 H LYS A 49 -10.842 -7.179 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.689 -8.413 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.056 -9.853 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.672 -10.451 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.348 -10.095 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.791 -11.599 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.216 -10.910 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.718 -9.488 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.396 -11.112 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.648 -11.024 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.533 -13.297 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.458 -13.021 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.131 -13.071 -5.563 1.00 0.00 H new ATOM 730 N ILE A 50 -9.646 -6.649 -1.582 1.00 0.00 N ATOM 731 CA ILE A 50 -9.302 -5.993 -0.324 1.00 0.00 C ATOM 732 C ILE A 50 -10.563 -5.487 0.397 1.00 0.00 C ATOM 733 O ILE A 50 -11.350 -4.733 -0.188 1.00 0.00 O ATOM 734 CB ILE A 50 -8.261 -4.885 -0.571 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.105 -5.315 -1.509 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.641 -4.469 0.759 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.348 -6.585 -1.080 1.00 0.00 C ATOM 0 H ILE A 50 -9.299 -6.155 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.842 -6.719 0.347 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.799 -4.068 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.510 -5.473 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.392 -4.494 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.904 -3.685 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.421 -4.095 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.155 -5.329 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.560 -6.800 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.906 -6.430 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.041 -7.425 -1.038 1.00 0.00 H new ATOM 749 N PRO A 51 -10.788 -5.876 1.667 1.00 0.00 N ATOM 750 CA PRO A 51 -11.947 -5.422 2.421 1.00 0.00 C ATOM 751 C PRO A 51 -11.788 -3.931 2.726 1.00 0.00 C ATOM 752 O PRO A 51 -10.683 -3.470 3.025 1.00 0.00 O ATOM 753 CB PRO A 51 -11.968 -6.260 3.691 1.00 0.00 C ATOM 754 CG PRO A 51 -10.501 -6.611 3.904 1.00 0.00 C ATOM 755 CD PRO A 51 -9.965 -6.758 2.485 1.00 0.00 C ATOM 0 HA PRO A 51 -12.884 -5.540 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.375 -5.702 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.582 -7.153 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.976 -5.829 4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.387 -7.533 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.913 -6.476 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.036 -7.791 2.143 1.00 0.00 H new ATOM 763 N GLU A 52 -12.897 -3.192 2.736 1.00 0.00 N ATOM 764 CA GLU A 52 -12.921 -1.752 2.977 1.00 0.00 C ATOM 765 C GLU A 52 -12.188 -1.305 4.237 1.00 0.00 C ATOM 766 O GLU A 52 -11.508 -0.281 4.204 1.00 0.00 O ATOM 767 CB GLU A 52 -14.363 -1.225 3.042 1.00 0.00 C ATOM 768 CG GLU A 52 -14.782 -0.473 1.775 1.00 0.00 C ATOM 769 CD GLU A 52 -15.827 0.599 2.090 1.00 0.00 C ATOM 770 OE1 GLU A 52 -15.424 1.750 2.369 1.00 0.00 O ATOM 771 OE2 GLU A 52 -17.052 0.335 2.092 1.00 0.00 O ATOM 0 H GLU A 52 -13.823 -3.588 2.573 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.387 -1.329 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.043 -2.062 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.464 -0.562 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.908 -0.010 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.187 -1.177 1.048 1.00 0.00 H new ATOM 778 N GLN A 53 -12.309 -2.055 5.331 1.00 0.00 N ATOM 779 CA GLN A 53 -11.683 -1.712 6.602 1.00 0.00 C ATOM 780 C GLN A 53 -10.159 -1.670 6.514 1.00 0.00 C ATOM 781 O GLN A 53 -9.532 -0.756 7.063 1.00 0.00 O ATOM 782 CB GLN A 53 -12.138 -2.695 7.692 1.00 0.00 C ATOM 783 CG GLN A 53 -13.659 -2.905 7.797 1.00 0.00 C ATOM 784 CD GLN A 53 -14.469 -1.660 8.161 1.00 0.00 C ATOM 785 OE1 GLN A 53 -13.954 -0.557 8.344 1.00 0.00 O ATOM 786 NE2 GLN A 53 -15.775 -1.829 8.248 1.00 0.00 N ATOM 0 H GLN A 53 -12.847 -2.921 5.358 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.007 -0.705 6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.667 -3.660 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.770 -2.340 8.655 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.023 -3.288 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.852 -3.675 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.181 -2.752 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.378 -1.037 8.471 1.00 0.00 H new ATOM 795 N PHE A 54 -9.549 -2.666 5.861 1.00 0.00 N ATOM 796 CA PHE A 54 -8.101 -2.686 5.731 1.00 0.00 C ATOM 797 C PHE A 54 -7.682 -1.786 4.573 1.00 0.00 C ATOM 798 O PHE A 54 -6.770 -0.981 4.747 1.00 0.00 O ATOM 799 CB PHE A 54 -7.575 -4.111 5.555 1.00 0.00 C ATOM 800 CG PHE A 54 -6.175 -4.129 4.985 1.00 0.00 C ATOM 801 CD1 PHE A 54 -5.998 -4.512 3.646 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.087 -3.630 5.727 1.00 0.00 C ATOM 803 CE1 PHE A 54 -4.737 -4.383 3.038 1.00 0.00 C ATOM 804 CE2 PHE A 54 -3.826 -3.498 5.119 1.00 0.00 C ATOM 805 CZ PHE A 54 -3.654 -3.867 3.773 1.00 0.00 C ATOM 0 H PHE A 54 -10.031 -3.452 5.424 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.659 -2.302 6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.581 -4.622 6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.243 -4.665 4.895 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.831 -4.906 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.221 -3.349 6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.600 -4.679 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.990 -3.114 5.685 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.688 -3.754 3.302 1.00 0.00 H new ATOM 815 N ARG A 55 -8.366 -1.844 3.421 1.00 0.00 N ATOM 816 CA ARG A 55 -8.046 -1.016 2.255 1.00 0.00 C ATOM 817 C ARG A 55 -7.981 0.457 2.653 1.00 0.00 C ATOM 818 O ARG A 55 -7.122 1.188 2.171 1.00 0.00 O ATOM 819 CB ARG A 55 -8.987 -1.333 1.076 1.00 0.00 C ATOM 820 CG ARG A 55 -10.205 -0.419 0.854 1.00 0.00 C ATOM 821 CD ARG A 55 -9.938 0.902 0.108 1.00 0.00 C ATOM 822 NE ARG A 55 -10.930 1.921 0.496 1.00 0.00 N ATOM 823 CZ ARG A 55 -12.218 1.963 0.130 1.00 0.00 C ATOM 824 NH1 ARG A 55 -12.696 1.224 -0.867 1.00 0.00 N ATOM 825 NH2 ARG A 55 -13.036 2.779 0.773 1.00 0.00 N ATOM 0 H ARG A 55 -9.158 -2.469 3.274 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.050 -1.261 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.392 -1.323 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.354 -2.351 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.957 -0.980 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.637 -0.182 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.933 1.259 0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.981 0.734 -0.968 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.602 2.671 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.076 0.599 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.683 1.283 -1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.683 3.361 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.020 2.826 0.510 1.00 0.00 H new ATOM 839 N HIS A 56 -8.873 0.899 3.537 1.00 0.00 N ATOM 840 CA HIS A 56 -8.910 2.265 4.019 1.00 0.00 C ATOM 841 C HIS A 56 -7.625 2.598 4.781 1.00 0.00 C ATOM 842 O HIS A 56 -7.141 3.716 4.661 1.00 0.00 O ATOM 843 CB HIS A 56 -10.148 2.404 4.913 1.00 0.00 C ATOM 844 CG HIS A 56 -10.270 3.677 5.704 1.00 0.00 C ATOM 845 ND1 HIS A 56 -10.859 3.785 6.944 1.00 0.00 N ATOM 846 CD2 HIS A 56 -9.858 4.925 5.323 1.00 0.00 C ATOM 847 CE1 HIS A 56 -10.779 5.074 7.313 1.00 0.00 C ATOM 848 NE2 HIS A 56 -10.178 5.807 6.357 1.00 0.00 N ATOM 0 H HIS A 56 -9.598 0.305 3.940 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.974 2.969 3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.034 2.307 4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.159 1.567 5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.374 5.181 4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.147 5.469 8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.993 6.810 6.383 1.00 0.00 H new ATOM 856 N ALA A 57 -7.068 1.667 5.561 1.00 0.00 N ATOM 857 CA ALA A 57 -5.859 1.883 6.341 1.00 0.00 C ATOM 858 C ALA A 57 -4.657 2.124 5.435 1.00 0.00 C ATOM 859 O ALA A 57 -3.929 3.101 5.622 1.00 0.00 O ATOM 860 CB ALA A 57 -5.617 0.686 7.260 1.00 0.00 C ATOM 0 H ALA A 57 -7.455 0.729 5.666 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.993 2.776 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.711 0.852 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.465 0.568 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.502 -0.216 6.660 1.00 0.00 H new ATOM 866 N ILE A 58 -4.435 1.239 4.461 1.00 0.00 N ATOM 867 CA ILE A 58 -3.335 1.357 3.523 1.00 0.00 C ATOM 868 C ILE A 58 -3.479 2.645 2.726 1.00 0.00 C ATOM 869 O ILE A 58 -2.536 3.435 2.685 1.00 0.00 O ATOM 870 CB ILE A 58 -3.223 0.104 2.615 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.325 0.396 1.387 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.549 -0.493 2.128 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.154 -0.776 0.417 1.00 0.00 C ATOM 0 H ILE A 58 -5.021 0.419 4.306 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.398 1.408 4.078 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.780 -0.649 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.745 1.241 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.340 0.702 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.348 -1.363 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.150 -0.794 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.093 0.253 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.510 -0.474 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.702 -1.619 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.128 -1.071 0.028 1.00 0.00 H new ATOM 885 N TRP A 59 -4.642 2.835 2.098 1.00 0.00 N ATOM 886 CA TRP A 59 -4.902 3.999 1.271 1.00 0.00 C ATOM 887 C TRP A 59 -4.734 5.279 2.074 1.00 0.00 C ATOM 888 O TRP A 59 -3.900 6.104 1.717 1.00 0.00 O ATOM 889 CB TRP A 59 -6.254 3.883 0.561 1.00 0.00 C ATOM 890 CG TRP A 59 -6.288 4.533 -0.786 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.629 4.088 -1.881 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.958 5.760 -1.196 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.868 4.933 -2.942 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.704 5.969 -2.585 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.719 6.737 -0.522 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.224 7.068 -3.281 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.232 7.854 -1.211 1.00 0.00 C ATOM 898 CH2 TRP A 59 -7.997 8.014 -2.589 1.00 0.00 C ATOM 0 H TRP A 59 -5.424 2.183 2.153 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.158 4.044 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.507 2.828 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.023 4.331 1.190 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.009 3.204 -1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.475 4.808 -3.875 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.911 6.628 0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.033 7.186 -4.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.810 8.593 -0.677 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.410 8.863 -3.113 1.00 0.00 H new ATOM 909 N LYS A 60 -5.464 5.452 3.180 1.00 0.00 N ATOM 910 CA LYS A 60 -5.330 6.660 3.986 1.00 0.00 C ATOM 911 C LYS A 60 -3.887 6.835 4.438 1.00 0.00 C ATOM 912 O LYS A 60 -3.405 7.958 4.451 1.00 0.00 O ATOM 913 CB LYS A 60 -6.284 6.616 5.188 1.00 0.00 C ATOM 914 CG LYS A 60 -6.284 7.902 6.030 1.00 0.00 C ATOM 915 CD LYS A 60 -6.603 9.168 5.213 1.00 0.00 C ATOM 916 CE LYS A 60 -6.935 10.349 6.127 1.00 0.00 C ATOM 917 NZ LYS A 60 -5.761 10.867 6.863 1.00 0.00 N ATOM 0 H LYS A 60 -6.144 4.778 3.531 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.602 7.520 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.296 6.428 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.011 5.776 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.015 7.802 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.308 8.019 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.751 9.421 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.444 8.972 4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.364 11.153 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.698 10.042 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.052 11.665 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.364 10.112 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.041 11.189 6.185 1.00 0.00 H new ATOM 931 N GLY A 61 -3.179 5.753 4.764 1.00 0.00 N ATOM 932 CA GLY A 61 -1.801 5.830 5.203 1.00 0.00 C ATOM 933 C GLY A 61 -0.903 6.456 4.142 1.00 0.00 C ATOM 934 O GLY A 61 -0.163 7.390 4.446 1.00 0.00 O ATOM 0 H GLY A 61 -3.551 4.804 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.744 6.417 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.439 4.830 5.442 1.00 0.00 H new ATOM 938 N ILE A 62 -0.955 5.969 2.900 1.00 0.00 N ATOM 939 CA ILE A 62 -0.103 6.517 1.841 1.00 0.00 C ATOM 940 C ILE A 62 -0.556 7.891 1.416 1.00 0.00 C ATOM 941 O ILE A 62 0.278 8.766 1.192 1.00 0.00 O ATOM 942 CB ILE A 62 0.028 5.554 0.662 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.124 6.082 -0.302 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.268 5.201 -0.085 1.00 0.00 C ATOM 945 CD1 ILE A 62 1.432 5.218 -1.527 1.00 0.00 C ATOM 0 H ILE A 62 -1.567 5.208 2.605 1.00 0.00 H new ATOM 0 HA ILE A 62 0.898 6.634 2.257 1.00 0.00 H new ATOM 0 HB ILE A 62 0.316 4.596 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.825 7.071 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.046 6.209 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.043 4.511 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.969 4.732 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.712 6.109 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.213 5.693 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.771 4.234 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.532 5.110 -2.132 1.00 0.00 H new ATOM 957 N LEU A 63 -1.868 8.076 1.314 1.00 0.00 N ATOM 958 CA LEU A 63 -2.432 9.362 0.934 1.00 0.00 C ATOM 959 C LEU A 63 -1.972 10.392 1.958 1.00 0.00 C ATOM 960 O LEU A 63 -1.764 11.544 1.616 1.00 0.00 O ATOM 961 CB LEU A 63 -3.976 9.319 0.907 1.00 0.00 C ATOM 962 CG LEU A 63 -4.622 8.998 -0.453 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.406 10.126 -1.458 1.00 0.00 C ATOM 964 CD2 LEU A 63 -4.143 7.696 -1.097 1.00 0.00 C ATOM 0 H LEU A 63 -2.561 7.348 1.490 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.093 9.620 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.311 8.575 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.352 10.284 1.246 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.679 8.881 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.876 9.864 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.850 11.045 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.337 10.276 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.652 7.553 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.067 7.747 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.368 6.859 -0.436 1.00 0.00 H new ATOM 976 N ASP A 64 -1.854 9.984 3.219 1.00 0.00 N ATOM 977 CA ASP A 64 -1.435 10.867 4.314 1.00 0.00 C ATOM 978 C ASP A 64 0.056 11.164 4.242 1.00 0.00 C ATOM 979 O ASP A 64 0.512 12.267 4.537 1.00 0.00 O ATOM 980 CB ASP A 64 -1.785 10.223 5.655 1.00 0.00 C ATOM 981 CG ASP A 64 -1.410 11.084 6.857 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.504 10.664 7.621 1.00 0.00 O ATOM 983 OD2 ASP A 64 -2.167 12.035 7.150 1.00 0.00 O ATOM 0 H ASP A 64 -2.046 9.027 3.516 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.967 11.814 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.855 10.019 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.275 9.263 5.732 1.00 0.00 H new ATOM 988 N HIS A 65 0.823 10.146 3.862 1.00 0.00 N ATOM 989 CA HIS A 65 2.260 10.225 3.743 1.00 0.00 C ATOM 990 C HIS A 65 2.572 11.232 2.658 1.00 0.00 C ATOM 991 O HIS A 65 3.289 12.186 2.924 1.00 0.00 O ATOM 992 CB HIS A 65 2.892 8.862 3.449 1.00 0.00 C ATOM 993 CG HIS A 65 4.396 8.942 3.330 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.252 9.596 4.192 1.00 0.00 N ATOM 995 CD2 HIS A 65 5.146 8.462 2.292 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.492 9.508 3.683 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.487 8.788 2.543 1.00 0.00 N ATOM 0 H HIS A 65 0.447 9.228 3.625 1.00 0.00 H new ATOM 0 HA HIS A 65 2.691 10.545 4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.629 8.163 4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.477 8.463 2.523 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.772 7.927 1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.371 9.952 4.126 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.296 8.532 1.977 1.00 0.00 H new ATOM 1005 N ARG A 66 2.031 11.047 1.453 1.00 0.00 N ATOM 1006 CA ARG A 66 2.272 11.979 0.360 1.00 0.00 C ATOM 1007 C ARG A 66 1.665 13.346 0.692 1.00 0.00 C ATOM 1008 O ARG A 66 2.221 14.358 0.277 1.00 0.00 O ATOM 1009 CB ARG A 66 1.846 11.378 -0.994 1.00 0.00 C ATOM 1010 CG ARG A 66 0.343 11.115 -1.159 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.428 12.290 -1.765 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.581 12.169 -3.232 1.00 0.00 N ATOM 1013 CZ ARG A 66 -1.052 13.138 -4.029 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -1.193 14.381 -3.584 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -1.406 12.861 -5.278 1.00 0.00 N ATOM 0 H ARG A 66 1.426 10.262 1.213 1.00 0.00 H new ATOM 0 HA ARG A 66 3.342 12.155 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.168 12.052 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.379 10.438 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.205 10.238 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.084 10.877 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.414 12.351 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.091 13.220 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.309 11.287 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.941 14.610 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.553 15.107 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.320 11.909 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.764 13.600 -5.882 1.00 0.00 H new ATOM 1029 N GLN A 67 0.578 13.412 1.472 1.00 0.00 N ATOM 1030 CA GLN A 67 -0.020 14.687 1.841 1.00 0.00 C ATOM 1031 C GLN A 67 0.834 15.447 2.868 1.00 0.00 C ATOM 1032 O GLN A 67 0.741 16.672 2.927 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.445 14.424 2.337 1.00 0.00 C ATOM 1034 CG GLN A 67 -2.253 15.683 2.621 1.00 0.00 C ATOM 1035 CD GLN A 67 -2.473 15.941 4.110 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -3.271 15.266 4.765 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -1.825 16.943 4.671 1.00 0.00 N ATOM 0 H GLN A 67 0.101 12.596 1.855 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.063 15.340 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.972 13.829 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.396 13.825 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.741 16.540 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.221 15.603 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.167 17.496 4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.982 17.165 5.654 1.00 0.00 H new ATOM 1046 N LEU A 68 1.708 14.769 3.622 1.00 0.00 N ATOM 1047 CA LEU A 68 2.561 15.385 4.637 1.00 0.00 C ATOM 1048 C LEU A 68 4.061 15.353 4.318 1.00 0.00 C ATOM 1049 O LEU A 68 4.831 16.058 4.972 1.00 0.00 O ATOM 1050 CB LEU A 68 2.280 14.705 5.989 1.00 0.00 C ATOM 1051 CG LEU A 68 0.870 14.979 6.556 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.672 14.174 7.846 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.651 16.465 6.868 1.00 0.00 C ATOM 0 H LEU A 68 1.842 13.761 3.540 1.00 0.00 H new ATOM 0 HA LEU A 68 2.307 16.445 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.411 13.629 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.022 15.042 6.713 1.00 0.00 H new ATOM 0 HG LEU A 68 0.150 14.680 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.323 14.367 8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.776 13.111 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.422 14.471 8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.354 16.609 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.383 16.793 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.769 17.050 5.956 1.00 0.00 H new ATOM 1065 N HIS A 69 4.510 14.587 3.328 1.00 0.00 N ATOM 1066 CA HIS A 69 5.901 14.442 2.921 1.00 0.00 C ATOM 1067 C HIS A 69 6.007 14.533 1.402 1.00 0.00 C ATOM 1068 O HIS A 69 5.033 14.317 0.681 1.00 0.00 O ATOM 1069 CB HIS A 69 6.450 13.101 3.442 1.00 0.00 C ATOM 1070 CG HIS A 69 7.437 13.247 4.568 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.710 12.731 4.574 1.00 0.00 N ATOM 1072 CD2 HIS A 69 7.252 13.918 5.747 1.00 0.00 C ATOM 1073 CE1 HIS A 69 9.290 13.090 5.725 1.00 0.00 C ATOM 1074 NE2 HIS A 69 8.454 13.847 6.463 1.00 0.00 N ATOM 0 H HIS A 69 3.879 14.022 2.759 1.00 0.00 H new ATOM 0 HA HIS A 69 6.499 15.247 3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.617 12.484 3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.928 12.570 2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.346 14.411 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.290 12.812 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.656 14.282 7.363 1.00 0.00 H new ATOM 1082 N ASP A 70 7.203 14.844 0.919 1.00 0.00 N ATOM 1083 CA ASP A 70 7.563 15.009 -0.479 1.00 0.00 C ATOM 1084 C ASP A 70 9.069 14.892 -0.543 1.00 0.00 C ATOM 1085 O ASP A 70 9.750 15.481 0.324 1.00 0.00 O ATOM 1086 CB ASP A 70 7.107 16.380 -1.002 1.00 0.00 C ATOM 1087 CG ASP A 70 7.657 17.560 -0.194 1.00 0.00 C ATOM 1088 OD1 ASP A 70 8.567 18.266 -0.687 1.00 0.00 O ATOM 1089 OD2 ASP A 70 7.086 17.891 0.875 1.00 0.00 O ATOM 0 H ASP A 70 7.999 14.998 1.538 1.00 0.00 H new ATOM 0 HA ASP A 70 7.078 14.256 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.419 16.485 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.018 16.420 -0.991 1.00 0.00 H new TER 1094 ASP A 70