USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 626 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 Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.0356 (180deg=-0.375) USER MOD Single : A 24 SER OG : rot 56:sc= 0.0325 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.638 K(o=-0.64,f=-2.6!) USER MOD Single : A 31 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.88) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 37 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.89) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0401 (180deg=-0.366) USER MOD Single : A 43 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.9!) USER MOD Single : A 47 SER OG : rot 72:sc= -2.44! USER MOD Single : A 51 ASN : amide:sc= -1.92 K(o=-1.9,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.176) USER MOD Single : A 55 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.38) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.18 K(o=-2.2,f=-9.2!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 THR OG1 : rot 82:sc= 0.778 USER MOD Single : A 72 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.73) USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= -2.74 (180deg=-5.28!) USER MOD Single : A 76 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.32) USER MOD Single : A 78 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 79 SER OG : rot -10:sc= 0.688 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -6.050 -0.615 21.127 1.00 0.00 N ATOM 45 CA ILE A 4 -6.647 -1.683 20.323 1.00 0.00 C ATOM 46 C ILE A 4 -6.709 -1.273 18.857 1.00 0.00 C ATOM 47 O ILE A 4 -6.665 -0.087 18.530 1.00 0.00 O ATOM 48 CB ILE A 4 -8.052 -1.996 20.825 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.982 -2.557 22.251 1.00 0.00 C ATOM 50 CG2 ILE A 4 -8.712 -3.026 19.903 1.00 0.00 C ATOM 51 CD1 ILE A 4 -9.389 -2.623 22.848 1.00 0.00 C ATOM 0 HA ILE A 4 -6.025 -2.573 20.417 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.642 -1.080 20.827 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.534 -3.551 22.240 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.343 -1.926 22.869 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.716 -3.247 20.265 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.771 -2.624 18.892 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.119 -3.941 19.896 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.336 -3.022 23.861 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.820 -1.622 22.874 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.014 -3.272 22.235 1.00 0.00 H new ATOM 63 N PHE A 5 -6.807 -2.265 17.977 1.00 0.00 N ATOM 64 CA PHE A 5 -6.869 -1.999 16.548 1.00 0.00 C ATOM 65 C PHE A 5 -8.217 -1.395 16.173 1.00 0.00 C ATOM 66 O PHE A 5 -9.256 -1.800 16.691 1.00 0.00 O ATOM 67 CB PHE A 5 -6.653 -3.300 15.766 1.00 0.00 C ATOM 68 CG PHE A 5 -5.195 -3.693 15.827 1.00 0.00 C ATOM 69 CD1 PHE A 5 -4.268 -3.065 14.985 1.00 0.00 C ATOM 70 CD2 PHE A 5 -4.770 -4.684 16.719 1.00 0.00 C ATOM 71 CE1 PHE A 5 -2.917 -3.426 15.038 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.417 -5.044 16.772 1.00 0.00 C ATOM 73 CZ PHE A 5 -2.492 -4.416 15.931 1.00 0.00 C ATOM 0 H PHE A 5 -6.845 -3.253 18.228 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.083 -1.287 16.295 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.272 -4.094 16.184 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.961 -3.168 14.729 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.596 -2.302 14.295 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.484 -5.171 17.366 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.202 -2.941 14.390 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.088 -5.807 17.462 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.450 -4.695 15.971 1.00 0.00 H new ATOM 83 N THR A 6 -8.188 -0.422 15.269 1.00 0.00 N ATOM 84 CA THR A 6 -9.413 0.234 14.831 1.00 0.00 C ATOM 85 C THR A 6 -10.177 -0.655 13.858 1.00 0.00 C ATOM 86 O THR A 6 -9.580 -1.374 13.059 1.00 0.00 O ATOM 87 CB THR A 6 -9.082 1.563 14.153 1.00 0.00 C ATOM 88 OG1 THR A 6 -8.130 2.269 14.937 1.00 0.00 O ATOM 89 CG2 THR A 6 -10.354 2.400 14.019 1.00 0.00 C ATOM 0 H THR A 6 -7.337 -0.073 14.829 1.00 0.00 H new ATOM 0 HA THR A 6 -10.036 0.418 15.707 1.00 0.00 H new ATOM 0 HB THR A 6 -8.669 1.372 13.163 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.916 3.121 14.502 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.117 3.348 13.535 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.084 1.858 13.418 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.769 2.592 15.008 1.00 0.00 H new ATOM 97 N VAL A 7 -11.501 -0.595 13.930 1.00 0.00 N ATOM 98 CA VAL A 7 -12.343 -1.396 13.051 1.00 0.00 C ATOM 99 C VAL A 7 -12.143 -0.989 11.595 1.00 0.00 C ATOM 100 O VAL A 7 -12.068 -1.838 10.707 1.00 0.00 O ATOM 101 CB VAL A 7 -13.814 -1.229 13.434 1.00 0.00 C ATOM 102 CG1 VAL A 7 -14.653 -2.309 12.741 1.00 0.00 C ATOM 103 CG2 VAL A 7 -13.962 -1.360 14.953 1.00 0.00 C ATOM 0 H VAL A 7 -12.013 -0.003 14.585 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.057 -2.442 13.165 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.162 -0.246 13.118 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.701 -2.188 13.016 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.548 -2.214 11.660 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.308 -3.294 13.054 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.010 -1.241 15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.613 -2.343 15.269 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.368 -0.589 15.444 1.00 0.00 H new ATOM 113 N GLN A 8 -12.067 0.316 11.358 1.00 0.00 N ATOM 114 CA GLN A 8 -11.886 0.828 10.004 1.00 0.00 C ATOM 115 C GLN A 8 -10.696 0.153 9.329 1.00 0.00 C ATOM 116 O GLN A 8 -10.704 -0.065 8.118 1.00 0.00 O ATOM 117 CB GLN A 8 -11.655 2.340 10.047 1.00 0.00 C ATOM 118 CG GLN A 8 -12.934 3.044 10.502 1.00 0.00 C ATOM 119 CD GLN A 8 -12.694 4.546 10.613 1.00 0.00 C ATOM 120 OE1 GLN A 8 -11.661 4.974 11.128 1.00 0.00 O ATOM 121 NE2 GLN A 8 -13.592 5.377 10.158 1.00 0.00 N ATOM 0 H GLN A 8 -12.127 1.034 12.080 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.787 0.611 9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.838 2.573 10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.361 2.701 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.738 2.848 9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.254 2.647 11.465 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.447 5.020 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.438 6.383 10.229 1.00 0.00 H new ATOM 130 N GLU A 9 -9.676 -0.172 10.116 1.00 0.00 N ATOM 131 CA GLU A 9 -8.486 -0.818 9.575 1.00 0.00 C ATOM 132 C GLU A 9 -8.820 -2.213 9.056 1.00 0.00 C ATOM 133 O GLU A 9 -8.348 -2.622 7.995 1.00 0.00 O ATOM 134 CB GLU A 9 -7.411 -0.916 10.660 1.00 0.00 C ATOM 135 CG GLU A 9 -6.126 -1.486 10.058 1.00 0.00 C ATOM 136 CD GLU A 9 -5.026 -1.515 11.113 1.00 0.00 C ATOM 137 OE1 GLU A 9 -5.341 -1.324 12.275 1.00 0.00 O ATOM 138 OE2 GLU A 9 -3.883 -1.728 10.742 1.00 0.00 O ATOM 0 H GLU A 9 -9.649 -0.001 11.121 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.113 -0.217 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.219 0.069 11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.758 -1.554 11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.306 -2.493 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.812 -0.879 9.209 1.00 0.00 H new ATOM 145 N LEU A 10 -9.641 -2.938 9.808 1.00 0.00 N ATOM 146 CA LEU A 10 -10.040 -4.285 9.412 1.00 0.00 C ATOM 147 C LEU A 10 -10.876 -4.242 8.138 1.00 0.00 C ATOM 148 O LEU A 10 -10.762 -5.116 7.282 1.00 0.00 O ATOM 149 CB LEU A 10 -10.836 -4.955 10.542 1.00 0.00 C ATOM 150 CG LEU A 10 -9.874 -5.571 11.562 1.00 0.00 C ATOM 151 CD1 LEU A 10 -8.989 -4.479 12.161 1.00 0.00 C ATOM 152 CD2 LEU A 10 -10.679 -6.247 12.675 1.00 0.00 C ATOM 0 H LEU A 10 -10.042 -2.619 10.690 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.140 -4.869 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.478 -4.222 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.488 -5.726 10.132 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.245 -6.310 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.306 -4.921 12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.415 -4.000 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.613 -3.736 12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.996 -6.686 13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.309 -5.507 13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.306 -7.029 12.247 1.00 0.00 H new ATOM 164 N LYS A 11 -11.728 -3.232 8.028 1.00 0.00 N ATOM 165 CA LYS A 11 -12.586 -3.103 6.858 1.00 0.00 C ATOM 166 C LYS A 11 -11.749 -2.982 5.588 1.00 0.00 C ATOM 167 O LYS A 11 -12.066 -3.587 4.565 1.00 0.00 O ATOM 168 CB LYS A 11 -13.482 -1.872 7.000 1.00 0.00 C ATOM 169 CG LYS A 11 -14.491 -2.098 8.128 1.00 0.00 C ATOM 170 CD LYS A 11 -15.414 -0.883 8.239 1.00 0.00 C ATOM 171 CE LYS A 11 -16.417 -1.106 9.373 1.00 0.00 C ATOM 172 NZ LYS A 11 -17.339 0.062 9.458 1.00 0.00 N ATOM 0 H LYS A 11 -11.843 -2.497 8.726 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.206 -3.997 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.876 -0.991 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.005 -1.681 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.077 -2.996 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.968 -2.258 9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.828 0.016 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.942 -0.727 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.985 -2.019 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.890 -1.237 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.021 -0.089 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.790 0.925 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.851 0.167 8.559 1.00 0.00 H new ATOM 186 N GLU A 12 -10.681 -2.195 5.659 1.00 0.00 N ATOM 187 CA GLU A 12 -9.811 -2.003 4.504 1.00 0.00 C ATOM 188 C GLU A 12 -9.116 -3.309 4.126 1.00 0.00 C ATOM 189 O GLU A 12 -9.122 -3.714 2.964 1.00 0.00 O ATOM 190 CB GLU A 12 -8.758 -0.937 4.823 1.00 0.00 C ATOM 191 CG GLU A 12 -9.446 0.407 5.072 1.00 0.00 C ATOM 192 CD GLU A 12 -10.120 0.897 3.795 1.00 0.00 C ATOM 193 OE1 GLU A 12 -9.752 0.421 2.734 1.00 0.00 O ATOM 194 OE2 GLU A 12 -10.996 1.742 3.896 1.00 0.00 O ATOM 0 H GLU A 12 -10.398 -1.684 6.495 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.422 -1.677 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.183 -1.231 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.054 -0.849 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.186 0.304 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.715 1.141 5.411 1.00 0.00 H new ATOM 201 N ARG A 13 -8.523 -3.964 5.118 1.00 0.00 N ATOM 202 CA ARG A 13 -7.829 -5.225 4.888 1.00 0.00 C ATOM 203 C ARG A 13 -8.825 -6.339 4.584 1.00 0.00 C ATOM 204 O ARG A 13 -8.542 -7.241 3.798 1.00 0.00 O ATOM 205 CB ARG A 13 -6.985 -5.596 6.109 1.00 0.00 C ATOM 206 CG ARG A 13 -6.191 -6.870 5.811 1.00 0.00 C ATOM 207 CD ARG A 13 -5.258 -7.175 6.981 1.00 0.00 C ATOM 208 NE ARG A 13 -6.034 -7.418 8.192 1.00 0.00 N ATOM 209 CZ ARG A 13 -6.545 -8.616 8.455 1.00 0.00 C ATOM 210 NH1 ARG A 13 -6.360 -9.601 7.620 1.00 0.00 N ATOM 211 NH2 ARG A 13 -7.235 -8.806 9.547 1.00 0.00 N ATOM 0 H ARG A 13 -8.509 -3.644 6.086 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.172 -5.102 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.305 -4.780 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.628 -5.749 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.872 -7.705 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.614 -6.745 4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.647 -8.047 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.575 -6.340 7.139 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.187 -6.654 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.823 -9.451 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.752 -10.521 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.382 -8.035 10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.627 -9.726 9.749 1.00 0.00 H new ATOM 225 N ALA A 14 -9.985 -6.273 5.224 1.00 0.00 N ATOM 226 CA ALA A 14 -11.017 -7.283 5.028 1.00 0.00 C ATOM 227 C ALA A 14 -11.632 -7.159 3.640 1.00 0.00 C ATOM 228 O ALA A 14 -12.395 -8.023 3.210 1.00 0.00 O ATOM 229 CB ALA A 14 -12.111 -7.129 6.087 1.00 0.00 C ATOM 0 H ALA A 14 -10.235 -5.534 5.881 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.556 -8.266 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.877 -7.888 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.676 -7.250 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.560 -6.139 6.005 1.00 0.00 H new ATOM 235 N LYS A 15 -11.303 -6.074 2.945 1.00 0.00 N ATOM 236 CA LYS A 15 -11.836 -5.858 1.606 1.00 0.00 C ATOM 237 C LYS A 15 -11.322 -6.916 0.639 1.00 0.00 C ATOM 238 O LYS A 15 -12.102 -7.492 -0.119 1.00 0.00 O ATOM 239 CB LYS A 15 -11.430 -4.472 1.097 1.00 0.00 C ATOM 240 CG LYS A 15 -12.067 -4.216 -0.270 1.00 0.00 C ATOM 241 CD LYS A 15 -11.697 -2.810 -0.741 1.00 0.00 C ATOM 242 CE LYS A 15 -12.345 -2.551 -2.098 1.00 0.00 C ATOM 243 NZ LYS A 15 -12.011 -1.172 -2.556 1.00 0.00 N ATOM 0 H LYS A 15 -10.679 -5.341 3.281 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.922 -5.928 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.747 -3.707 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.345 -4.406 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.721 -4.957 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.150 -4.317 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.035 -2.070 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.614 -2.712 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.993 -3.282 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.426 -2.669 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.453 -0.997 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.367 -0.481 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.979 -1.075 -2.642 1.00 0.00 H new ATOM 257 N VAL A 16 -10.001 -7.163 0.670 1.00 0.00 N ATOM 258 CA VAL A 16 -9.367 -8.154 -0.212 1.00 0.00 C ATOM 259 C VAL A 16 -10.129 -8.268 -1.532 1.00 0.00 C ATOM 260 O VAL A 16 -10.064 -7.379 -2.381 1.00 0.00 O ATOM 261 CB VAL A 16 -9.303 -9.522 0.491 1.00 0.00 C ATOM 262 CG1 VAL A 16 -8.089 -9.569 1.425 1.00 0.00 C ATOM 263 CG2 VAL A 16 -10.575 -9.729 1.313 1.00 0.00 C ATOM 0 H VAL A 16 -9.352 -6.688 1.298 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.352 -7.823 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.214 -10.307 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.048 -10.539 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.178 -9.419 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.176 -8.782 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.532 -10.697 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.658 -8.939 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.443 -9.698 0.654 1.00 0.00 H new ATOM 273 N PHE A 17 -10.872 -9.363 -1.680 1.00 0.00 N ATOM 274 CA PHE A 17 -11.674 -9.596 -2.880 1.00 0.00 C ATOM 275 C PHE A 17 -13.161 -9.517 -2.550 1.00 0.00 C ATOM 276 O PHE A 17 -13.666 -10.274 -1.719 1.00 0.00 O ATOM 277 CB PHE A 17 -11.351 -10.974 -3.453 1.00 0.00 C ATOM 278 CG PHE A 17 -9.927 -10.983 -3.951 1.00 0.00 C ATOM 279 CD1 PHE A 17 -9.639 -10.544 -5.248 1.00 0.00 C ATOM 280 CD2 PHE A 17 -8.894 -11.428 -3.117 1.00 0.00 C ATOM 281 CE1 PHE A 17 -8.318 -10.551 -5.712 1.00 0.00 C ATOM 282 CE2 PHE A 17 -7.574 -11.435 -3.580 1.00 0.00 C ATOM 283 CZ PHE A 17 -7.285 -10.996 -4.878 1.00 0.00 C ATOM 0 H PHE A 17 -10.936 -10.104 -0.982 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.435 -8.828 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.487 -11.740 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.035 -11.212 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.436 -10.200 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.116 -11.766 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.096 -10.213 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.778 -11.779 -2.936 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.266 -11.001 -5.236 1.00 0.00 H new ATOM 293 N ALA A 18 -13.857 -8.597 -3.209 1.00 0.00 N ATOM 294 CA ALA A 18 -15.287 -8.425 -2.987 1.00 0.00 C ATOM 295 C ALA A 18 -15.582 -8.252 -1.509 1.00 0.00 C ATOM 296 O ALA A 18 -14.695 -8.399 -0.667 1.00 0.00 O ATOM 297 CB ALA A 18 -16.049 -9.635 -3.517 1.00 0.00 C ATOM 0 H ALA A 18 -13.456 -7.961 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.609 -7.530 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.117 -9.496 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.864 -9.742 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.712 -10.533 -2.999 1.00 0.00 H new ATOM 303 N LYS A 19 -16.833 -7.932 -1.192 1.00 0.00 N ATOM 304 CA LYS A 19 -17.222 -7.733 0.199 1.00 0.00 C ATOM 305 C LYS A 19 -17.670 -9.055 0.831 1.00 0.00 C ATOM 306 O LYS A 19 -18.095 -9.971 0.128 1.00 0.00 O ATOM 307 CB LYS A 19 -18.364 -6.697 0.284 1.00 0.00 C ATOM 308 CG LYS A 19 -17.780 -5.287 0.406 1.00 0.00 C ATOM 309 CD LYS A 19 -16.943 -4.985 -0.835 1.00 0.00 C ATOM 310 CE LYS A 19 -16.477 -3.532 -0.792 1.00 0.00 C ATOM 311 NZ LYS A 19 -17.642 -2.635 -1.023 1.00 0.00 N ATOM 0 H LYS A 19 -17.585 -7.806 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.357 -7.362 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.994 -6.764 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.999 -6.913 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.582 -4.555 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.165 -5.211 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.083 -5.653 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.531 -5.163 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.020 -3.313 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.715 -3.360 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.306 -1.705 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.261 -3.050 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.174 -2.522 -0.137 1.00 0.00 H new ATOM 325 N PRO A 20 -17.607 -9.158 2.141 1.00 0.00 N ATOM 326 CA PRO A 20 -18.049 -10.386 2.859 1.00 0.00 C ATOM 327 C PRO A 20 -19.442 -10.839 2.421 1.00 0.00 C ATOM 328 O PRO A 20 -20.341 -10.022 2.218 1.00 0.00 O ATOM 329 CB PRO A 20 -18.055 -9.967 4.339 1.00 0.00 C ATOM 330 CG PRO A 20 -17.098 -8.822 4.439 1.00 0.00 C ATOM 331 CD PRO A 20 -17.099 -8.129 3.074 1.00 0.00 C ATOM 0 HA PRO A 20 -17.395 -11.233 2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.054 -9.671 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.747 -10.792 4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.402 -8.130 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.098 -9.174 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.737 -7.245 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.098 -7.799 2.795 1.00 0.00 H new ATOM 339 N ILE A 21 -19.602 -12.148 2.288 1.00 0.00 N ATOM 340 CA ILE A 21 -20.873 -12.731 1.883 1.00 0.00 C ATOM 341 C ILE A 21 -21.837 -12.798 3.066 1.00 0.00 C ATOM 342 O ILE A 21 -21.436 -13.095 4.190 1.00 0.00 O ATOM 343 CB ILE A 21 -20.649 -14.143 1.312 1.00 0.00 C ATOM 344 CG1 ILE A 21 -20.292 -15.145 2.434 1.00 0.00 C ATOM 345 CG2 ILE A 21 -19.512 -14.113 0.284 1.00 0.00 C ATOM 346 CD1 ILE A 21 -19.035 -14.696 3.199 1.00 0.00 C ATOM 0 H ILE A 21 -18.862 -12.830 2.456 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.311 -12.097 1.112 1.00 0.00 H new ATOM 0 HB ILE A 21 -21.574 -14.466 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -21.130 -15.235 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -20.126 -16.133 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -19.358 -15.115 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.773 -13.434 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.596 -13.769 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -18.808 -15.420 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -18.193 -14.631 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -19.212 -13.719 3.648 1.00 0.00 H new ATOM 358 N GLY A 22 -23.109 -12.526 2.809 1.00 0.00 N ATOM 359 CA GLY A 22 -24.110 -12.573 3.867 1.00 0.00 C ATOM 360 C GLY A 22 -24.047 -11.321 4.731 1.00 0.00 C ATOM 361 O GLY A 22 -25.006 -10.983 5.420 1.00 0.00 O ATOM 0 H GLY A 22 -23.470 -12.273 1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.104 -12.668 3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.949 -13.455 4.486 1.00 0.00 H new ATOM 365 N ALA A 23 -22.908 -10.640 4.687 1.00 0.00 N ATOM 366 CA ALA A 23 -22.726 -9.425 5.471 1.00 0.00 C ATOM 367 C ALA A 23 -23.062 -9.674 6.940 1.00 0.00 C ATOM 368 O ALA A 23 -23.096 -8.742 7.741 1.00 0.00 O ATOM 369 CB ALA A 23 -23.626 -8.319 4.923 1.00 0.00 C ATOM 0 H ALA A 23 -22.102 -10.906 4.121 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.682 -9.120 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.487 -7.412 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.366 -8.120 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.668 -8.635 4.983 1.00 0.00 H new ATOM 375 N SER A 24 -23.311 -10.936 7.285 1.00 0.00 N ATOM 376 CA SER A 24 -23.643 -11.295 8.662 1.00 0.00 C ATOM 377 C SER A 24 -22.375 -11.437 9.501 1.00 0.00 C ATOM 378 O SER A 24 -22.426 -11.431 10.731 1.00 0.00 O ATOM 379 CB SER A 24 -24.423 -12.611 8.679 1.00 0.00 C ATOM 380 OG SER A 24 -25.758 -12.369 8.257 1.00 0.00 O ATOM 0 H SER A 24 -23.289 -11.722 6.635 1.00 0.00 H new ATOM 0 HA SER A 24 -24.257 -10.502 9.090 1.00 0.00 H new ATOM 0 HB2 SER A 24 -23.947 -13.338 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 24 -24.418 -13.038 9.682 1.00 0.00 H new ATOM 0 HG SER A 24 -25.750 -11.947 7.372 1.00 0.00 H new ATOM 386 N TYR A 25 -21.239 -11.569 8.825 1.00 0.00 N ATOM 387 CA TYR A 25 -19.959 -11.717 9.510 1.00 0.00 C ATOM 388 C TYR A 25 -19.499 -10.385 10.087 1.00 0.00 C ATOM 389 O TYR A 25 -18.633 -10.344 10.957 1.00 0.00 O ATOM 390 CB TYR A 25 -18.900 -12.254 8.546 1.00 0.00 C ATOM 391 CG TYR A 25 -19.283 -13.645 8.102 1.00 0.00 C ATOM 392 CD1 TYR A 25 -20.158 -13.820 7.024 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.761 -14.761 8.768 1.00 0.00 C ATOM 394 CE1 TYR A 25 -20.513 -15.111 6.613 1.00 0.00 C ATOM 395 CE2 TYR A 25 -19.115 -16.052 8.356 1.00 0.00 C ATOM 396 CZ TYR A 25 -19.991 -16.227 7.278 1.00 0.00 C ATOM 397 OH TYR A 25 -20.339 -17.498 6.871 1.00 0.00 O ATOM 0 H TYR A 25 -21.178 -11.577 7.807 1.00 0.00 H new ATOM 0 HA TYR A 25 -20.092 -12.426 10.327 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.813 -11.596 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.925 -12.272 9.033 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -20.559 -12.960 6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.085 -14.626 9.600 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.190 -15.246 5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.712 -16.912 8.870 1.00 0.00 H new ATOM 0 HH TYR A 25 -19.888 -18.158 7.438 1.00 0.00 H new ATOM 407 N GLN A 26 -20.080 -9.299 9.592 1.00 0.00 N ATOM 408 CA GLN A 26 -19.714 -7.965 10.058 1.00 0.00 C ATOM 409 C GLN A 26 -19.873 -7.864 11.573 1.00 0.00 C ATOM 410 O GLN A 26 -19.358 -6.939 12.199 1.00 0.00 O ATOM 411 CB GLN A 26 -20.601 -6.917 9.376 1.00 0.00 C ATOM 412 CG GLN A 26 -22.038 -7.040 9.891 1.00 0.00 C ATOM 413 CD GLN A 26 -22.975 -6.197 9.034 1.00 0.00 C ATOM 414 OE1 GLN A 26 -22.603 -5.766 7.943 1.00 0.00 O ATOM 415 NE2 GLN A 26 -24.179 -5.935 9.465 1.00 0.00 N ATOM 0 H GLN A 26 -20.802 -9.314 8.872 1.00 0.00 H new ATOM 0 HA GLN A 26 -18.670 -7.781 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -20.217 -5.917 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -20.579 -7.056 8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.352 -8.083 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.090 -6.713 10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.486 -6.293 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.813 -5.372 8.897 1.00 0.00 H new ATOM 424 N GLY A 27 -20.595 -8.817 12.153 1.00 0.00 N ATOM 425 CA GLY A 27 -20.821 -8.820 13.594 1.00 0.00 C ATOM 426 C GLY A 27 -19.498 -8.765 14.351 1.00 0.00 C ATOM 427 O GLY A 27 -19.426 -8.227 15.456 1.00 0.00 O ATOM 0 H GLY A 27 -21.031 -9.592 11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.439 -7.966 13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.371 -9.717 13.878 1.00 0.00 H new ATOM 431 N ILE A 28 -18.453 -9.319 13.748 1.00 0.00 N ATOM 432 CA ILE A 28 -17.134 -9.324 14.371 1.00 0.00 C ATOM 433 C ILE A 28 -16.556 -7.911 14.411 1.00 0.00 C ATOM 434 O ILE A 28 -15.694 -7.607 15.235 1.00 0.00 O ATOM 435 CB ILE A 28 -16.187 -10.249 13.600 1.00 0.00 C ATOM 436 CG1 ILE A 28 -14.893 -10.433 14.397 1.00 0.00 C ATOM 437 CG2 ILE A 28 -15.861 -9.638 12.233 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.052 -11.539 13.756 1.00 0.00 C ATOM 0 H ILE A 28 -18.492 -9.768 12.833 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.238 -9.691 15.392 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.669 -11.216 13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.330 -9.500 14.418 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.124 -10.690 15.431 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -15.187 -10.301 11.690 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -16.781 -9.510 11.663 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.382 -8.669 12.373 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.130 -11.670 14.323 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.615 -12.472 13.758 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.810 -11.264 12.730 1.00 0.00 H new ATOM 450 N LEU A 29 -17.029 -7.056 13.506 1.00 0.00 N ATOM 451 CA LEU A 29 -16.545 -5.678 13.434 1.00 0.00 C ATOM 452 C LEU A 29 -17.390 -4.773 14.322 1.00 0.00 C ATOM 453 O LEU A 29 -16.866 -3.910 15.022 1.00 0.00 O ATOM 454 CB LEU A 29 -16.619 -5.180 11.987 1.00 0.00 C ATOM 455 CG LEU A 29 -15.771 -6.080 11.082 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.920 -5.626 9.626 1.00 0.00 C ATOM 457 CD2 LEU A 29 -14.290 -6.025 11.499 1.00 0.00 C ATOM 0 H LEU A 29 -17.743 -7.291 12.816 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.512 -5.652 13.780 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.654 -5.179 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.263 -4.151 11.928 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.119 -7.108 11.181 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.317 -6.266 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -16.966 -5.695 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.583 -4.594 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.704 -6.670 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.927 -5.000 11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.189 -6.365 12.530 1.00 0.00 H new ATOM 469 N ASP A 30 -18.696 -4.977 14.297 1.00 0.00 N ATOM 470 CA ASP A 30 -19.593 -4.177 15.116 1.00 0.00 C ATOM 471 C ASP A 30 -19.305 -4.389 16.599 1.00 0.00 C ATOM 472 O ASP A 30 -19.411 -3.461 17.399 1.00 0.00 O ATOM 473 CB ASP A 30 -21.045 -4.547 14.814 1.00 0.00 C ATOM 474 CG ASP A 30 -21.454 -3.998 13.451 1.00 0.00 C ATOM 475 OD1 ASP A 30 -20.758 -3.129 12.949 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.458 -4.452 12.930 1.00 0.00 O ATOM 0 H ASP A 30 -19.157 -5.684 13.724 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.430 -3.126 14.877 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.163 -5.631 14.828 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.699 -4.145 15.588 1.00 0.00 H new ATOM 481 N GLN A 31 -18.954 -5.619 16.963 1.00 0.00 N ATOM 482 CA GLN A 31 -18.675 -5.946 18.356 1.00 0.00 C ATOM 483 C GLN A 31 -17.465 -5.171 18.862 1.00 0.00 C ATOM 484 O GLN A 31 -17.389 -4.826 20.039 1.00 0.00 O ATOM 485 CB GLN A 31 -18.416 -7.450 18.499 1.00 0.00 C ATOM 486 CG GLN A 31 -18.358 -7.831 19.980 1.00 0.00 C ATOM 487 CD GLN A 31 -19.730 -7.651 20.616 1.00 0.00 C ATOM 488 OE1 GLN A 31 -20.746 -7.983 20.005 1.00 0.00 O ATOM 489 NE2 GLN A 31 -19.822 -7.139 21.812 1.00 0.00 N ATOM 0 H GLN A 31 -18.857 -6.401 16.316 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.544 -5.667 18.952 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -19.205 -8.013 18.001 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.479 -7.714 18.010 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -18.032 -8.866 20.086 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.624 -7.211 20.495 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.978 -6.865 22.316 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.737 -7.013 22.244 1.00 0.00 H new ATOM 498 N LEU A 32 -16.525 -4.891 17.965 1.00 0.00 N ATOM 499 CA LEU A 32 -15.324 -4.151 18.343 1.00 0.00 C ATOM 500 C LEU A 32 -15.697 -2.765 18.853 1.00 0.00 C ATOM 501 O LEU A 32 -15.121 -2.275 19.822 1.00 0.00 O ATOM 502 CB LEU A 32 -14.385 -4.026 17.142 1.00 0.00 C ATOM 503 CG LEU A 32 -13.779 -5.400 16.804 1.00 0.00 C ATOM 504 CD1 LEU A 32 -13.009 -5.306 15.481 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.833 -5.864 17.933 1.00 0.00 C ATOM 0 H LEU A 32 -16.569 -5.161 16.982 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.815 -4.695 19.139 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.931 -3.638 16.282 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.591 -3.313 17.363 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.583 -6.129 16.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.579 -6.278 15.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.689 -5.003 14.685 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.211 -4.570 15.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.413 -6.837 17.679 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.027 -5.140 18.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.391 -5.942 18.866 1.00 0.00 H new ATOM 517 N ASP A 33 -16.662 -2.137 18.203 1.00 0.00 N ATOM 518 CA ASP A 33 -17.098 -0.811 18.615 1.00 0.00 C ATOM 519 C ASP A 33 -17.659 -0.852 20.035 1.00 0.00 C ATOM 520 O ASP A 33 -17.480 0.086 20.812 1.00 0.00 O ATOM 521 CB ASP A 33 -18.162 -0.292 17.649 1.00 0.00 C ATOM 522 CG ASP A 33 -17.515 0.107 16.325 1.00 0.00 C ATOM 523 OD1 ASP A 33 -16.302 0.232 16.292 1.00 0.00 O ATOM 524 OD2 ASP A 33 -18.244 0.281 15.363 1.00 0.00 O ATOM 0 H ASP A 33 -17.155 -2.518 17.396 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.240 -0.139 18.599 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.916 -1.061 17.478 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.674 0.565 18.086 1.00 0.00 H new ATOM 529 N LEU A 34 -18.336 -1.947 20.364 1.00 0.00 N ATOM 530 CA LEU A 34 -18.918 -2.111 21.692 1.00 0.00 C ATOM 531 C LEU A 34 -17.825 -2.192 22.752 1.00 0.00 C ATOM 532 O LEU A 34 -18.032 -1.789 23.891 1.00 0.00 O ATOM 533 CB LEU A 34 -19.799 -3.376 21.736 1.00 0.00 C ATOM 534 CG LEU A 34 -21.235 -3.037 21.319 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.246 -2.553 19.870 1.00 0.00 C ATOM 536 CD2 LEU A 34 -22.104 -4.287 21.448 1.00 0.00 C ATOM 0 H LEU A 34 -18.495 -2.732 19.732 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.540 -1.242 21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.389 -4.136 21.071 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.794 -3.796 22.742 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.628 -2.251 21.964 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.267 -2.312 19.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.623 -1.664 19.779 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.856 -3.337 19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -23.126 -4.051 21.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.711 -5.072 20.801 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -22.095 -4.631 22.482 1.00 0.00 H new ATOM 548 N VAL A 35 -16.675 -2.730 22.377 1.00 0.00 N ATOM 549 CA VAL A 35 -15.569 -2.870 23.317 1.00 0.00 C ATOM 550 C VAL A 35 -15.149 -1.505 23.856 1.00 0.00 C ATOM 551 O VAL A 35 -14.889 -1.354 25.049 1.00 0.00 O ATOM 552 CB VAL A 35 -14.377 -3.535 22.627 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.208 -3.638 23.608 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.777 -4.934 22.152 1.00 0.00 C ATOM 0 H VAL A 35 -16.482 -3.075 21.437 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.900 -3.492 24.149 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.074 -2.935 21.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.360 -4.112 23.115 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.923 -2.640 23.940 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.507 -4.236 24.469 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.928 -5.408 21.660 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.083 -5.535 23.008 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.606 -4.856 21.449 1.00 0.00 H new ATOM 564 N HIS A 36 -15.078 -0.519 22.971 1.00 0.00 N ATOM 565 CA HIS A 36 -14.678 0.824 23.372 1.00 0.00 C ATOM 566 C HIS A 36 -15.780 1.493 24.186 1.00 0.00 C ATOM 567 O HIS A 36 -15.504 2.211 25.148 1.00 0.00 O ATOM 568 CB HIS A 36 -14.377 1.669 22.133 1.00 0.00 C ATOM 569 CG HIS A 36 -13.925 3.039 22.558 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.774 3.239 23.303 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.457 4.288 22.348 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.650 4.562 23.514 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.650 5.248 22.952 1.00 0.00 N ATOM 0 H HIS A 36 -15.290 -0.622 21.979 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.783 0.746 23.989 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.604 1.190 21.532 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.266 1.746 21.507 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.363 4.494 21.798 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.842 5.014 24.069 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.791 6.258 22.963 1.00 0.00 H new ATOM 581 N GLN A 37 -17.030 1.261 23.796 1.00 0.00 N ATOM 582 CA GLN A 37 -18.161 1.857 24.504 1.00 0.00 C ATOM 583 C GLN A 37 -18.506 1.039 25.746 1.00 0.00 C ATOM 584 O GLN A 37 -19.069 1.560 26.710 1.00 0.00 O ATOM 585 CB GLN A 37 -19.378 1.914 23.574 1.00 0.00 C ATOM 586 CG GLN A 37 -20.510 2.705 24.239 1.00 0.00 C ATOM 587 CD GLN A 37 -20.098 4.164 24.401 1.00 0.00 C ATOM 588 OE1 GLN A 37 -19.484 4.738 23.501 1.00 0.00 O ATOM 589 NE2 GLN A 37 -20.391 4.799 25.502 1.00 0.00 N ATOM 0 H GLN A 37 -17.285 0.672 23.003 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.887 2.866 24.813 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.102 2.382 22.629 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -19.716 0.904 23.342 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -21.415 2.639 23.635 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -20.744 2.274 25.212 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -20.900 4.322 26.246 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -20.112 5.773 25.619 1.00 0.00 H new ATOM 598 N ALA A 38 -18.164 -0.243 25.717 1.00 0.00 N ATOM 599 CA ALA A 38 -18.440 -1.129 26.841 1.00 0.00 C ATOM 600 C ALA A 38 -17.458 -0.878 27.974 1.00 0.00 C ATOM 601 O ALA A 38 -16.367 -0.354 27.751 1.00 0.00 O ATOM 602 CB ALA A 38 -18.347 -2.587 26.400 1.00 0.00 C ATOM 0 H ALA A 38 -17.696 -0.692 24.929 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.450 -0.923 27.196 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.555 -3.238 27.249 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -19.075 -2.776 25.611 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.344 -2.790 26.024 1.00 0.00 H new ATOM 608 N LYS A 39 -17.848 -1.265 29.186 1.00 0.00 N ATOM 609 CA LYS A 39 -16.992 -1.084 30.355 1.00 0.00 C ATOM 610 C LYS A 39 -17.337 -2.102 31.440 1.00 0.00 C ATOM 611 O LYS A 39 -18.491 -2.501 31.597 1.00 0.00 O ATOM 612 CB LYS A 39 -17.150 0.357 30.904 1.00 0.00 C ATOM 613 CG LYS A 39 -15.954 1.234 30.499 1.00 0.00 C ATOM 614 CD LYS A 39 -14.752 0.912 31.394 1.00 0.00 C ATOM 615 CE LYS A 39 -13.613 1.876 31.078 1.00 0.00 C ATOM 616 NZ LYS A 39 -13.965 3.228 31.594 1.00 0.00 N ATOM 0 H LYS A 39 -18.747 -1.704 29.384 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.956 -1.242 30.056 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.073 0.796 30.524 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.234 0.329 31.990 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.699 1.058 29.454 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.216 2.288 30.590 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.033 0.996 32.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.429 -0.116 31.232 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.687 1.528 31.536 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.441 1.916 30.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.100 3.797 31.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.611 3.697 30.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.430 3.136 32.520 1.00 0.00 H new ATOM 630 N GLY A 40 -16.317 -2.513 32.186 1.00 0.00 N ATOM 631 CA GLY A 40 -16.508 -3.479 33.254 1.00 0.00 C ATOM 632 C GLY A 40 -16.900 -4.838 32.690 1.00 0.00 C ATOM 633 O GLY A 40 -16.233 -5.372 31.805 1.00 0.00 O ATOM 0 H GLY A 40 -15.356 -2.192 32.069 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.590 -3.572 33.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.282 -3.126 33.936 1.00 0.00 H new ATOM 637 N ARG A 41 -17.985 -5.393 33.212 1.00 0.00 N ATOM 638 CA ARG A 41 -18.464 -6.695 32.762 1.00 0.00 C ATOM 639 C ARG A 41 -18.844 -6.646 31.287 1.00 0.00 C ATOM 640 O ARG A 41 -18.672 -7.622 30.558 1.00 0.00 O ATOM 641 CB ARG A 41 -19.680 -7.116 33.589 1.00 0.00 C ATOM 642 CG ARG A 41 -19.383 -6.935 35.102 1.00 0.00 C ATOM 643 CD ARG A 41 -20.089 -5.681 35.628 1.00 0.00 C ATOM 644 NE ARG A 41 -21.520 -5.924 35.736 1.00 0.00 N ATOM 645 CZ ARG A 41 -22.368 -4.929 35.958 1.00 0.00 C ATOM 646 NH1 ARG A 41 -21.922 -3.709 36.075 1.00 0.00 N ATOM 647 NH2 ARG A 41 -23.646 -5.170 36.055 1.00 0.00 N ATOM 0 H ARG A 41 -18.550 -4.964 33.945 1.00 0.00 H new ATOM 0 HA ARG A 41 -17.663 -7.422 32.895 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -20.547 -6.518 33.306 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -19.929 -8.157 33.381 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -19.721 -7.812 35.655 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -18.308 -6.852 35.263 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.684 -5.407 36.602 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.904 -4.841 34.958 1.00 0.00 H new ATOM 0 HE ARG A 41 -21.876 -6.875 35.639 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.923 -3.522 35.996 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.573 -2.942 36.246 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -23.994 -6.124 35.960 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -24.298 -4.404 36.226 1.00 0.00 H new ATOM 661 N ASP A 42 -19.367 -5.505 30.857 1.00 0.00 N ATOM 662 CA ASP A 42 -19.774 -5.344 29.468 1.00 0.00 C ATOM 663 C ASP A 42 -18.571 -5.486 28.541 1.00 0.00 C ATOM 664 O ASP A 42 -18.663 -6.105 27.482 1.00 0.00 O ATOM 665 CB ASP A 42 -20.415 -3.969 29.272 1.00 0.00 C ATOM 666 CG ASP A 42 -21.794 -3.935 29.920 1.00 0.00 C ATOM 667 OD1 ASP A 42 -22.293 -4.992 30.266 1.00 0.00 O ATOM 668 OD2 ASP A 42 -22.334 -2.849 30.056 1.00 0.00 O ATOM 0 H ASP A 42 -19.518 -4.685 31.444 1.00 0.00 H new ATOM 0 HA ASP A 42 -20.499 -6.121 29.225 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.780 -3.198 29.709 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -20.499 -3.747 28.208 1.00 0.00 H new ATOM 673 N GLN A 43 -17.442 -4.909 28.944 1.00 0.00 N ATOM 674 CA GLN A 43 -16.230 -4.979 28.133 1.00 0.00 C ATOM 675 C GLN A 43 -15.717 -6.414 28.055 1.00 0.00 C ATOM 676 O GLN A 43 -15.279 -6.873 27.000 1.00 0.00 O ATOM 677 CB GLN A 43 -15.149 -4.085 28.733 1.00 0.00 C ATOM 678 CG GLN A 43 -13.902 -4.123 27.850 1.00 0.00 C ATOM 679 CD GLN A 43 -12.893 -3.085 28.329 1.00 0.00 C ATOM 680 OE1 GLN A 43 -13.247 -2.172 29.075 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.650 -3.169 27.941 1.00 0.00 N ATOM 0 H GLN A 43 -17.341 -4.393 29.818 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.470 -4.635 27.127 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -15.515 -3.062 28.818 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.904 -4.421 29.741 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.456 -5.117 27.879 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.174 -3.926 26.813 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.359 -3.926 27.323 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.970 -2.477 28.256 1.00 0.00 H new ATOM 690 N ILE A 44 -15.776 -7.113 29.181 1.00 0.00 N ATOM 691 CA ILE A 44 -15.316 -8.497 29.241 1.00 0.00 C ATOM 692 C ILE A 44 -16.183 -9.383 28.351 1.00 0.00 C ATOM 693 O ILE A 44 -15.676 -10.250 27.639 1.00 0.00 O ATOM 694 CB ILE A 44 -15.368 -9.010 30.684 1.00 0.00 C ATOM 695 CG1 ILE A 44 -14.334 -8.258 31.525 1.00 0.00 C ATOM 696 CG2 ILE A 44 -15.040 -10.507 30.711 1.00 0.00 C ATOM 697 CD1 ILE A 44 -14.573 -8.553 33.008 1.00 0.00 C ATOM 0 H ILE A 44 -16.136 -6.748 30.063 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.287 -8.534 28.885 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.367 -8.847 31.089 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.327 -8.562 31.240 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.408 -7.186 31.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.078 -10.869 31.738 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.768 -11.050 30.108 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.041 -10.668 30.306 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.837 -8.018 33.609 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.575 -8.227 33.287 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.477 -9.624 33.186 1.00 0.00 H new ATOM 709 N ALA A 45 -17.492 -9.167 28.404 1.00 0.00 N ATOM 710 CA ALA A 45 -18.417 -9.964 27.608 1.00 0.00 C ATOM 711 C ALA A 45 -18.011 -9.947 26.136 1.00 0.00 C ATOM 712 O ALA A 45 -18.030 -10.980 25.468 1.00 0.00 O ATOM 713 CB ALA A 45 -19.835 -9.405 27.751 1.00 0.00 C ATOM 0 H ALA A 45 -17.934 -8.454 28.984 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.388 -10.992 27.969 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -20.524 -10.003 27.155 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -20.136 -9.441 28.798 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.856 -8.372 27.402 1.00 0.00 H new ATOM 719 N ALA A 46 -17.633 -8.774 25.641 1.00 0.00 N ATOM 720 CA ALA A 46 -17.215 -8.639 24.254 1.00 0.00 C ATOM 721 C ALA A 46 -15.963 -9.468 24.001 1.00 0.00 C ATOM 722 O ALA A 46 -15.825 -10.099 22.953 1.00 0.00 O ATOM 723 CB ALA A 46 -16.935 -7.170 23.940 1.00 0.00 C ATOM 0 H ALA A 46 -17.608 -7.907 26.178 1.00 0.00 H new ATOM 0 HA ALA A 46 -18.014 -9.000 23.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.622 -7.073 22.900 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.840 -6.584 24.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -16.143 -6.803 24.593 1.00 0.00 H new ATOM 729 N SER A 47 -15.051 -9.458 24.967 1.00 0.00 N ATOM 730 CA SER A 47 -13.814 -10.209 24.833 1.00 0.00 C ATOM 731 C SER A 47 -14.095 -11.703 24.710 1.00 0.00 C ATOM 732 O SER A 47 -13.498 -12.392 23.883 1.00 0.00 O ATOM 733 CB SER A 47 -12.906 -9.956 26.036 1.00 0.00 C ATOM 734 OG SER A 47 -12.553 -8.580 26.077 1.00 0.00 O ATOM 0 H SER A 47 -15.145 -8.943 25.842 1.00 0.00 H new ATOM 0 HA SER A 47 -13.313 -9.871 23.926 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.415 -10.240 26.957 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.009 -10.571 25.965 1.00 0.00 H new ATOM 0 HG SER A 47 -13.333 -8.050 26.343 1.00 0.00 H new ATOM 740 N PHE A 48 -15.008 -12.194 25.538 1.00 0.00 N ATOM 741 CA PHE A 48 -15.363 -13.607 25.515 1.00 0.00 C ATOM 742 C PHE A 48 -15.950 -13.989 24.161 1.00 0.00 C ATOM 743 O PHE A 48 -15.575 -15.005 23.577 1.00 0.00 O ATOM 744 CB PHE A 48 -16.380 -13.904 26.620 1.00 0.00 C ATOM 745 CG PHE A 48 -16.781 -15.359 26.559 1.00 0.00 C ATOM 746 CD1 PHE A 48 -15.921 -16.344 27.062 1.00 0.00 C ATOM 747 CD2 PHE A 48 -18.011 -15.725 25.996 1.00 0.00 C ATOM 748 CE1 PHE A 48 -16.293 -17.692 27.005 1.00 0.00 C ATOM 749 CE2 PHE A 48 -18.382 -17.073 25.940 1.00 0.00 C ATOM 750 CZ PHE A 48 -17.522 -18.057 26.443 1.00 0.00 C ATOM 0 H PHE A 48 -15.513 -11.639 26.229 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.461 -14.195 25.684 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.950 -13.675 27.595 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.258 -13.269 26.501 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.972 -16.063 27.493 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.673 -14.966 25.605 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -15.631 -18.451 27.395 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.331 -17.354 25.509 1.00 0.00 H new ATOM 0 HZ PHE A 48 -17.807 -19.098 26.397 1.00 0.00 H new ATOM 760 N GLU A 49 -16.873 -13.170 23.670 1.00 0.00 N ATOM 761 CA GLU A 49 -17.505 -13.436 22.383 1.00 0.00 C ATOM 762 C GLU A 49 -16.504 -13.242 21.247 1.00 0.00 C ATOM 763 O GLU A 49 -16.449 -14.039 20.310 1.00 0.00 O ATOM 764 CB GLU A 49 -18.697 -12.496 22.185 1.00 0.00 C ATOM 765 CG GLU A 49 -19.510 -12.952 20.971 1.00 0.00 C ATOM 766 CD GLU A 49 -20.239 -14.252 21.293 1.00 0.00 C ATOM 767 OE1 GLU A 49 -20.201 -14.659 22.443 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.825 -14.821 20.387 1.00 0.00 O ATOM 0 H GLU A 49 -17.198 -12.324 24.138 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.852 -14.469 22.373 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.324 -12.494 23.076 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.348 -11.474 22.039 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.229 -12.181 20.693 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.851 -13.097 20.115 1.00 0.00 H new ATOM 775 N LEU A 50 -15.714 -12.177 21.341 1.00 0.00 N ATOM 776 CA LEU A 50 -14.717 -11.879 20.318 1.00 0.00 C ATOM 777 C LEU A 50 -13.686 -12.997 20.238 1.00 0.00 C ATOM 778 O LEU A 50 -13.239 -13.366 19.153 1.00 0.00 O ATOM 779 CB LEU A 50 -14.019 -10.551 20.637 1.00 0.00 C ATOM 780 CG LEU A 50 -14.939 -9.378 20.264 1.00 0.00 C ATOM 781 CD1 LEU A 50 -14.400 -8.091 20.897 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.025 -9.210 18.728 1.00 0.00 C ATOM 0 H LEU A 50 -15.744 -11.509 22.111 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.222 -11.797 19.355 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.769 -10.506 21.697 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.082 -10.480 20.085 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.941 -9.585 20.641 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.050 -7.256 20.635 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.372 -8.203 21.981 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.393 -7.897 20.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.682 -8.374 18.490 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.030 -9.016 18.327 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.423 -10.122 18.284 1.00 0.00 H new ATOM 794 N ASN A 51 -13.306 -13.524 21.393 1.00 0.00 N ATOM 795 CA ASN A 51 -12.314 -14.586 21.436 1.00 0.00 C ATOM 796 C ASN A 51 -12.791 -15.784 20.618 1.00 0.00 C ATOM 797 O ASN A 51 -12.014 -16.393 19.884 1.00 0.00 O ATOM 798 CB ASN A 51 -12.083 -15.016 22.886 1.00 0.00 C ATOM 799 CG ASN A 51 -11.259 -13.963 23.618 1.00 0.00 C ATOM 800 OD1 ASN A 51 -10.667 -13.088 22.987 1.00 0.00 O ATOM 801 ND2 ASN A 51 -11.182 -13.996 24.921 1.00 0.00 N ATOM 0 H ASN A 51 -13.666 -13.237 22.303 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.380 -14.215 21.013 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.040 -15.155 23.389 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.567 -15.976 22.911 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.631 -13.296 25.417 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.673 -14.722 25.443 1.00 0.00 H new ATOM 808 N LYS A 52 -14.072 -16.113 20.746 1.00 0.00 N ATOM 809 CA LYS A 52 -14.637 -17.238 20.008 1.00 0.00 C ATOM 810 C LYS A 52 -14.584 -16.974 18.510 1.00 0.00 C ATOM 811 O LYS A 52 -14.202 -17.844 17.728 1.00 0.00 O ATOM 812 CB LYS A 52 -16.090 -17.458 20.432 1.00 0.00 C ATOM 813 CG LYS A 52 -16.130 -17.817 21.922 1.00 0.00 C ATOM 814 CD LYS A 52 -15.577 -19.252 22.165 1.00 0.00 C ATOM 815 CE LYS A 52 -14.283 -19.191 22.982 1.00 0.00 C ATOM 816 NZ LYS A 52 -13.699 -20.556 23.081 1.00 0.00 N ATOM 0 H LYS A 52 -14.734 -15.622 21.348 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.050 -18.129 20.232 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.676 -16.558 20.246 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.537 -18.257 19.841 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.542 -17.096 22.489 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.155 -17.751 22.288 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.320 -19.851 22.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.390 -19.744 21.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.573 -18.513 22.509 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.486 -18.797 23.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.820 -20.518 23.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.377 -21.190 23.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.492 -20.915 22.127 1.00 0.00 H new ATOM 830 N LYS A 53 -14.969 -15.766 18.119 1.00 0.00 N ATOM 831 CA LYS A 53 -14.961 -15.394 16.712 1.00 0.00 C ATOM 832 C LYS A 53 -13.541 -15.411 16.160 1.00 0.00 C ATOM 833 O LYS A 53 -13.298 -15.917 15.065 1.00 0.00 O ATOM 834 CB LYS A 53 -15.571 -14.001 16.529 1.00 0.00 C ATOM 835 CG LYS A 53 -17.077 -14.061 16.761 1.00 0.00 C ATOM 836 CD LYS A 53 -17.667 -12.664 16.579 1.00 0.00 C ATOM 837 CE LYS A 53 -19.157 -12.701 16.895 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.877 -13.462 15.834 1.00 0.00 N ATOM 0 H LYS A 53 -15.288 -15.033 18.752 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.559 -16.121 16.163 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.114 -13.300 17.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.363 -13.632 15.525 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.538 -14.758 16.061 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.288 -14.431 17.764 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.162 -11.955 17.235 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.509 -12.320 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.321 -13.168 17.866 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.550 -11.686 16.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -20.901 -13.303 15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -19.559 -13.138 14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.674 -14.477 15.936 1.00 0.00 H new ATOM 852 N ILE A 54 -12.606 -14.850 16.921 1.00 0.00 N ATOM 853 CA ILE A 54 -11.216 -14.807 16.484 1.00 0.00 C ATOM 854 C ILE A 54 -10.628 -16.214 16.438 1.00 0.00 C ATOM 855 O ILE A 54 -9.986 -16.597 15.460 1.00 0.00 O ATOM 856 CB ILE A 54 -10.401 -13.943 17.453 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.875 -12.491 17.360 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.915 -14.015 17.085 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.300 -11.692 18.531 1.00 0.00 C ATOM 0 H ILE A 54 -12.782 -14.424 17.831 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.176 -14.376 15.483 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.541 -14.311 18.469 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.555 -12.053 16.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.964 -12.451 17.378 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.339 -13.400 17.776 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.574 -15.048 17.149 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.774 -13.648 16.068 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.637 -10.657 18.466 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.642 -12.126 19.470 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.211 -11.722 18.492 1.00 0.00 H new ATOM 871 N ASN A 55 -10.856 -16.980 17.500 1.00 0.00 N ATOM 872 CA ASN A 55 -10.347 -18.344 17.567 1.00 0.00 C ATOM 873 C ASN A 55 -10.994 -19.213 16.492 1.00 0.00 C ATOM 874 O ASN A 55 -10.328 -20.019 15.842 1.00 0.00 O ATOM 875 CB ASN A 55 -10.618 -18.941 18.948 1.00 0.00 C ATOM 876 CG ASN A 55 -10.113 -20.380 19.003 1.00 0.00 C ATOM 877 OD1 ASN A 55 -10.854 -21.284 19.389 1.00 0.00 O ATOM 878 ND2 ASN A 55 -8.890 -20.647 18.636 1.00 0.00 N ATOM 0 H ASN A 55 -11.385 -16.682 18.319 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.271 -18.317 17.394 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.124 -18.344 19.715 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.686 -18.913 19.162 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.546 -21.607 18.668 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.278 -19.896 18.317 1.00 0.00 H new ATOM 885 N ASP A 56 -12.301 -19.042 16.318 1.00 0.00 N ATOM 886 CA ASP A 56 -13.043 -19.812 15.327 1.00 0.00 C ATOM 887 C ASP A 56 -12.552 -19.489 13.922 1.00 0.00 C ATOM 888 O ASP A 56 -12.463 -20.369 13.068 1.00 0.00 O ATOM 889 CB ASP A 56 -14.539 -19.501 15.433 1.00 0.00 C ATOM 890 CG ASP A 56 -15.122 -20.144 16.688 1.00 0.00 C ATOM 891 OD1 ASP A 56 -14.471 -21.011 17.247 1.00 0.00 O ATOM 892 OD2 ASP A 56 -16.216 -19.762 17.071 1.00 0.00 O ATOM 0 H ASP A 56 -12.866 -18.379 16.849 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.880 -20.872 15.522 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.693 -18.422 15.463 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.059 -19.873 14.550 1.00 0.00 H new ATOM 897 N TYR A 57 -12.241 -18.220 13.688 1.00 0.00 N ATOM 898 CA TYR A 57 -11.770 -17.789 12.380 1.00 0.00 C ATOM 899 C TYR A 57 -10.528 -18.578 11.978 1.00 0.00 C ATOM 900 O TYR A 57 -10.394 -18.999 10.829 1.00 0.00 O ATOM 901 CB TYR A 57 -11.440 -16.295 12.410 1.00 0.00 C ATOM 902 CG TYR A 57 -11.123 -15.819 11.012 1.00 0.00 C ATOM 903 CD1 TYR A 57 -12.164 -15.557 10.114 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.792 -15.639 10.612 1.00 0.00 C ATOM 905 CE1 TYR A 57 -11.879 -15.115 8.818 1.00 0.00 C ATOM 906 CE2 TYR A 57 -9.507 -15.196 9.314 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.549 -14.934 8.418 1.00 0.00 C ATOM 908 OH TYR A 57 -10.267 -14.499 7.139 1.00 0.00 O ATOM 0 H TYR A 57 -12.306 -17.476 14.383 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.558 -17.971 11.649 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.283 -15.734 12.814 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.591 -16.113 13.069 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.190 -15.696 10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.987 -15.841 11.303 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.684 -14.913 8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.482 -15.057 9.005 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.296 -14.425 7.025 1.00 0.00 H new ATOM 918 N ILE A 58 -9.623 -18.776 12.931 1.00 0.00 N ATOM 919 CA ILE A 58 -8.397 -19.518 12.659 1.00 0.00 C ATOM 920 C ILE A 58 -8.723 -20.958 12.268 1.00 0.00 C ATOM 921 O ILE A 58 -8.153 -21.497 11.321 1.00 0.00 O ATOM 922 CB ILE A 58 -7.502 -19.515 13.902 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.996 -18.094 14.161 1.00 0.00 C ATOM 924 CG2 ILE A 58 -6.304 -20.446 13.681 1.00 0.00 C ATOM 925 CD1 ILE A 58 -6.360 -18.025 15.551 1.00 0.00 C ATOM 0 H ILE A 58 -9.713 -18.437 13.889 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.874 -19.037 11.833 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.077 -19.863 14.760 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.267 -17.812 13.401 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.820 -17.384 14.091 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.670 -20.440 14.568 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.660 -21.459 13.496 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.729 -20.101 12.822 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.999 -17.013 15.736 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.102 -18.289 16.304 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.525 -18.723 15.604 1.00 0.00 H new ATOM 937 N ALA A 59 -9.642 -21.574 13.004 1.00 0.00 N ATOM 938 CA ALA A 59 -10.035 -22.950 12.725 1.00 0.00 C ATOM 939 C ALA A 59 -10.674 -23.054 11.345 1.00 0.00 C ATOM 940 O ALA A 59 -10.482 -24.040 10.634 1.00 0.00 O ATOM 941 CB ALA A 59 -11.021 -23.440 13.786 1.00 0.00 C ATOM 0 H ALA A 59 -10.126 -21.146 13.793 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.142 -23.574 12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.308 -24.469 13.568 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.551 -23.395 14.768 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.908 -22.806 13.779 1.00 0.00 H new ATOM 947 N GLU A 60 -11.441 -22.033 10.978 1.00 0.00 N ATOM 948 CA GLU A 60 -12.107 -22.016 9.680 1.00 0.00 C ATOM 949 C GLU A 60 -11.098 -21.793 8.557 1.00 0.00 C ATOM 950 O GLU A 60 -11.190 -22.411 7.497 1.00 0.00 O ATOM 951 CB GLU A 60 -13.162 -20.910 9.646 1.00 0.00 C ATOM 952 CG GLU A 60 -14.309 -21.271 10.590 1.00 0.00 C ATOM 953 CD GLU A 60 -15.324 -20.134 10.634 1.00 0.00 C ATOM 954 OE1 GLU A 60 -15.121 -19.157 9.932 1.00 0.00 O ATOM 955 OE2 GLU A 60 -16.290 -20.257 11.367 1.00 0.00 O ATOM 0 H GLU A 60 -11.616 -21.211 11.556 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.589 -22.982 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.718 -19.960 9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.538 -20.783 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.792 -22.189 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.921 -21.463 11.591 1.00 0.00 H new ATOM 962 N HIS A 61 -10.139 -20.899 8.794 1.00 0.00 N ATOM 963 CA HIS A 61 -9.113 -20.588 7.794 1.00 0.00 C ATOM 964 C HIS A 61 -7.735 -20.494 8.449 1.00 0.00 C ATOM 965 O HIS A 61 -7.131 -19.421 8.494 1.00 0.00 O ATOM 966 CB HIS A 61 -9.447 -19.266 7.105 1.00 0.00 C ATOM 967 CG HIS A 61 -10.887 -19.285 6.669 1.00 0.00 C ATOM 968 ND1 HIS A 61 -11.333 -20.086 5.629 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.992 -18.609 7.122 1.00 0.00 C ATOM 970 CE1 HIS A 61 -12.655 -19.874 5.491 1.00 0.00 C ATOM 971 NE2 HIS A 61 -13.107 -18.982 6.376 1.00 0.00 N ATOM 0 H HIS A 61 -10.049 -20.378 9.666 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.094 -21.389 7.055 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.272 -18.433 7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.796 -19.116 6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.996 -17.896 7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.274 -20.365 4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.064 -18.646 6.483 1.00 0.00 H new ATOM 979 N PRO A 62 -7.234 -21.592 8.961 1.00 0.00 N ATOM 980 CA PRO A 62 -5.902 -21.632 9.634 1.00 0.00 C ATOM 981 C PRO A 62 -4.755 -21.515 8.632 1.00 0.00 C ATOM 982 O PRO A 62 -3.646 -21.111 8.985 1.00 0.00 O ATOM 983 CB PRO A 62 -5.897 -22.994 10.348 1.00 0.00 C ATOM 984 CG PRO A 62 -6.838 -23.855 9.563 1.00 0.00 C ATOM 985 CD PRO A 62 -7.883 -22.915 8.945 1.00 0.00 C ATOM 0 HA PRO A 62 -5.755 -20.797 10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.895 -23.423 10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.224 -22.897 11.383 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.305 -24.404 8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.315 -24.594 10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.142 -23.219 7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.807 -22.912 9.523 1.00 0.00 H new ATOM 993 N THR A 63 -5.029 -21.878 7.384 1.00 0.00 N ATOM 994 CA THR A 63 -4.013 -21.817 6.340 1.00 0.00 C ATOM 995 C THR A 63 -3.839 -20.386 5.843 1.00 0.00 C ATOM 996 O THR A 63 -2.786 -20.026 5.316 1.00 0.00 O ATOM 997 CB THR A 63 -4.409 -22.723 5.172 1.00 0.00 C ATOM 998 OG1 THR A 63 -5.640 -22.276 4.622 1.00 0.00 O ATOM 999 CG2 THR A 63 -4.564 -24.162 5.670 1.00 0.00 C ATOM 0 H THR A 63 -5.940 -22.215 7.072 1.00 0.00 H new ATOM 0 HA THR A 63 -3.067 -22.159 6.759 1.00 0.00 H new ATOM 0 HB THR A 63 -3.634 -22.686 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.893 -22.855 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.846 -24.807 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.619 -24.505 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.338 -24.200 6.437 1.00 0.00 H new ATOM 1007 N SER A 64 -4.878 -19.576 6.013 1.00 0.00 N ATOM 1008 CA SER A 64 -4.829 -18.187 5.574 1.00 0.00 C ATOM 1009 C SER A 64 -3.914 -17.373 6.485 1.00 0.00 C ATOM 1010 O SER A 64 -3.873 -17.594 7.695 1.00 0.00 O ATOM 1011 CB SER A 64 -6.236 -17.586 5.588 1.00 0.00 C ATOM 1012 OG SER A 64 -6.974 -18.095 4.485 1.00 0.00 O ATOM 0 H SER A 64 -5.758 -19.854 6.448 1.00 0.00 H new ATOM 0 HA SER A 64 -4.433 -18.157 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.740 -17.832 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.180 -16.499 5.533 1.00 0.00 H new ATOM 0 HG SER A 64 -7.877 -17.714 4.491 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.184 -16.432 5.895 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.273 -15.587 6.662 1.00 0.00 C ATOM 1020 C GLY A 65 -2.998 -14.364 7.211 1.00 0.00 C ATOM 1021 O GLY A 65 -2.449 -13.617 8.018 1.00 0.00 O ATOM 0 H GLY A 65 -3.204 -16.235 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.844 -16.160 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.445 -15.270 6.029 1.00 0.00 H new ATOM 1025 N ARG A 66 -4.230 -14.163 6.763 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.023 -13.023 7.212 1.00 0.00 C ATOM 1027 C ARG A 66 -5.377 -13.164 8.688 1.00 0.00 C ATOM 1028 O ARG A 66 -5.416 -12.179 9.424 1.00 0.00 O ATOM 1029 CB ARG A 66 -6.307 -12.926 6.382 1.00 0.00 C ATOM 1030 CG ARG A 66 -5.963 -12.760 4.896 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.580 -11.306 4.590 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.333 -11.148 3.160 1.00 0.00 N ATOM 1033 CZ ARG A 66 -4.125 -11.343 2.640 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -3.132 -11.703 3.408 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -3.934 -11.180 1.361 1.00 0.00 N ATOM 0 H ARG A 66 -4.701 -14.770 6.092 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.433 -12.116 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.911 -13.822 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.906 -12.081 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.139 -13.422 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.816 -13.053 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.379 -10.636 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.690 -11.029 5.155 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.104 -10.882 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.283 -11.835 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.206 -11.852 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.711 -10.903 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.008 -11.329 0.961 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.638 -14.393 9.110 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.996 -14.653 10.498 1.00 0.00 C ATOM 1051 C ASN A 67 -4.885 -14.181 11.432 1.00 0.00 C ATOM 1052 O ASN A 67 -5.101 -14.019 12.633 1.00 0.00 O ATOM 1053 CB ASN A 67 -6.235 -16.150 10.703 1.00 0.00 C ATOM 1054 CG ASN A 67 -4.919 -16.913 10.584 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -3.948 -16.398 10.030 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -4.826 -18.117 11.081 1.00 0.00 N ATOM 0 H ASN A 67 -5.609 -15.222 8.516 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.909 -14.105 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.678 -16.324 11.684 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.945 -16.517 9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.948 -18.632 11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.631 -18.543 11.540 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.698 -13.970 10.874 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.562 -13.526 11.673 1.00 0.00 C ATOM 1065 C GLN A 68 -2.875 -12.204 12.364 1.00 0.00 C ATOM 1066 O GLN A 68 -2.625 -12.046 13.556 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.334 -13.349 10.779 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.906 -14.708 10.222 1.00 0.00 C ATOM 1069 CD GLN A 68 0.271 -14.536 9.268 1.00 0.00 C ATOM 1070 OE1 GLN A 68 0.785 -13.429 9.109 1.00 0.00 O ATOM 1071 NE2 GLN A 68 0.729 -15.571 8.619 1.00 0.00 N ATOM 0 H GLN A 68 -3.498 -14.098 9.882 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.360 -14.283 12.431 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.562 -12.665 9.962 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.518 -12.904 11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.628 -15.373 11.039 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.741 -15.176 9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.301 -16.487 8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.515 -15.464 7.978 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.427 -11.259 11.607 1.00 0.00 N ATOM 1081 CA ALA A 69 -3.774 -9.953 12.160 1.00 0.00 C ATOM 1082 C ALA A 69 -4.992 -10.065 13.066 1.00 0.00 C ATOM 1083 O ALA A 69 -5.085 -9.390 14.084 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.068 -8.967 11.029 1.00 0.00 C ATOM 0 H ALA A 69 -3.642 -11.372 10.616 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.929 -9.591 12.746 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.326 -7.996 11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.186 -8.865 10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.902 -9.336 10.432 1.00 0.00 H new ATOM 1090 N LEU A 70 -5.925 -10.921 12.688 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.131 -11.108 13.479 1.00 0.00 C ATOM 1092 C LEU A 70 -6.793 -11.663 14.860 1.00 0.00 C ATOM 1093 O LEU A 70 -7.404 -11.286 15.858 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.089 -12.066 12.764 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.521 -11.895 13.314 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.238 -10.752 12.581 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.309 -13.193 13.112 1.00 0.00 C ATOM 0 H LEU A 70 -5.873 -11.494 11.846 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.611 -10.137 13.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.077 -11.871 11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.758 -13.095 12.904 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.462 -11.660 14.377 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.247 -10.642 12.978 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.687 -9.823 12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.290 -10.979 11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.320 -13.069 13.501 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.356 -13.428 12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.813 -14.006 13.642 1.00 0.00 H new ATOM 1109 N THR A 71 -5.825 -12.568 14.907 1.00 0.00 N ATOM 1110 CA THR A 71 -5.426 -13.184 16.167 1.00 0.00 C ATOM 1111 C THR A 71 -4.871 -12.134 17.129 1.00 0.00 C ATOM 1112 O THR A 71 -4.913 -12.312 18.345 1.00 0.00 O ATOM 1113 CB THR A 71 -4.360 -14.248 15.907 1.00 0.00 C ATOM 1114 OG1 THR A 71 -4.814 -15.128 14.889 1.00 0.00 O ATOM 1115 CG2 THR A 71 -4.106 -15.042 17.189 1.00 0.00 C ATOM 0 H THR A 71 -5.303 -12.891 14.092 1.00 0.00 H new ATOM 0 HA THR A 71 -6.304 -13.645 16.619 1.00 0.00 H new ATOM 0 HB THR A 71 -3.435 -13.767 15.590 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.649 -14.725 14.011 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.346 -15.801 17.003 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.761 -14.367 17.973 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.030 -15.525 17.507 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.345 -11.048 16.576 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.777 -9.985 17.397 1.00 0.00 C ATOM 1125 C GLN A 72 -4.841 -9.362 18.293 1.00 0.00 C ATOM 1126 O GLN A 72 -4.544 -8.894 19.389 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.174 -8.902 16.506 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.033 -9.491 15.676 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.877 -9.890 16.587 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.511 -9.137 17.490 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.273 -11.032 16.401 1.00 0.00 N ATOM 0 H GLN A 72 -4.300 -10.880 15.571 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.000 -10.422 18.024 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.940 -8.491 15.848 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.804 -8.079 17.118 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.387 -10.360 15.122 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.693 -8.761 14.941 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.578 -11.654 15.652 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.504 -11.302 17.004 1.00 0.00 H new ATOM 1140 N LEU A 73 -6.082 -9.357 17.822 1.00 0.00 N ATOM 1141 CA LEU A 73 -7.177 -8.778 18.596 1.00 0.00 C ATOM 1142 C LEU A 73 -7.351 -9.531 19.911 1.00 0.00 C ATOM 1143 O LEU A 73 -7.586 -8.925 20.956 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.479 -8.843 17.783 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.542 -7.671 16.799 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -7.333 -7.726 15.860 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.838 -7.759 15.980 1.00 0.00 C ATOM 0 H LEU A 73 -6.355 -9.742 16.918 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.940 -7.737 18.816 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.532 -9.787 17.241 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.338 -8.812 18.453 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.527 -6.731 17.351 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.378 -6.892 15.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.415 -7.660 16.444 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.344 -8.665 15.307 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.883 -6.925 15.280 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.856 -8.698 15.427 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.696 -7.716 16.651 1.00 0.00 H new ATOM 1159 N LYS A 74 -7.240 -10.850 19.855 1.00 0.00 N ATOM 1160 CA LYS A 74 -7.393 -11.664 21.054 1.00 0.00 C ATOM 1161 C LYS A 74 -6.349 -11.278 22.099 1.00 0.00 C ATOM 1162 O LYS A 74 -6.665 -11.124 23.279 1.00 0.00 O ATOM 1163 CB LYS A 74 -7.243 -13.141 20.701 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.548 -13.994 21.931 1.00 0.00 C ATOM 1165 CD LYS A 74 -7.528 -15.477 21.543 1.00 0.00 C ATOM 1166 CE LYS A 74 -6.108 -15.906 21.143 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.894 -15.606 19.700 1.00 0.00 N ATOM 0 H LYS A 74 -7.047 -11.376 19.003 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.386 -11.489 21.468 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.920 -13.402 19.888 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.231 -13.340 20.349 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.812 -13.802 22.712 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.523 -13.727 22.339 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.876 -16.083 22.379 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.215 -15.652 20.715 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.372 -15.379 21.749 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.971 -16.971 21.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.500 -16.444 19.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.802 -15.354 19.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.231 -14.811 19.605 1.00 0.00 H new ATOM 1181 N GLU A 75 -5.105 -11.124 21.657 1.00 0.00 N ATOM 1182 CA GLU A 75 -4.022 -10.755 22.564 1.00 0.00 C ATOM 1183 C GLU A 75 -4.222 -9.341 23.100 1.00 0.00 C ATOM 1184 O GLU A 75 -4.047 -9.088 24.291 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.681 -10.839 21.832 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.389 -12.292 21.452 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.147 -13.123 22.708 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.814 -12.538 23.724 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.296 -14.331 22.633 1.00 0.00 O ATOM 0 H GLU A 75 -4.822 -11.248 20.685 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.026 -11.450 23.404 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.705 -10.217 20.937 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.884 -10.452 22.468 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.227 -12.704 20.889 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.515 -12.338 20.802 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.585 -8.420 22.211 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.800 -7.034 22.611 1.00 0.00 C ATOM 1198 C GLN A 76 -5.967 -6.932 23.586 1.00 0.00 C ATOM 1199 O GLN A 76 -5.831 -6.377 24.676 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.089 -6.177 21.376 1.00 0.00 C ATOM 1201 CG GLN A 76 -3.827 -6.069 20.514 1.00 0.00 C ATOM 1202 CD GLN A 76 -2.765 -5.251 21.240 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -3.025 -4.122 21.654 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -1.577 -5.759 21.423 1.00 0.00 N ATOM 0 H GLN A 76 -4.735 -8.606 21.219 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.898 -6.672 23.104 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.900 -6.619 20.797 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.419 -5.184 21.680 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.442 -7.064 20.293 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.068 -5.601 19.560 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.364 -6.695 21.079 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.861 -5.220 21.910 1.00 0.00 H new ATOM 1213 N VAL A 77 -7.113 -7.474 23.191 1.00 0.00 N ATOM 1214 CA VAL A 77 -8.293 -7.439 24.045 1.00 0.00 C ATOM 1215 C VAL A 77 -8.029 -8.184 25.349 1.00 0.00 C ATOM 1216 O VAL A 77 -8.344 -7.693 26.431 1.00 0.00 O ATOM 1217 CB VAL A 77 -9.481 -8.070 23.317 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -10.679 -8.157 24.267 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.852 -7.210 22.107 1.00 0.00 C ATOM 0 H VAL A 77 -7.250 -7.939 22.293 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.525 -6.400 24.277 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.210 -9.072 22.984 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.524 -8.607 23.746 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.416 -8.770 25.129 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.951 -7.156 24.603 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.699 -7.659 21.587 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.121 -6.208 22.442 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.001 -7.150 21.429 1.00 0.00 H new ATOM 1229 N THR A 78 -7.449 -9.376 25.236 1.00 0.00 N ATOM 1230 CA THR A 78 -7.149 -10.186 26.411 1.00 0.00 C ATOM 1231 C THR A 78 -6.195 -9.446 27.342 1.00 0.00 C ATOM 1232 O THR A 78 -6.389 -9.424 28.558 1.00 0.00 O ATOM 1233 CB THR A 78 -6.523 -11.515 25.985 1.00 0.00 C ATOM 1234 OG1 THR A 78 -7.460 -12.252 25.211 1.00 0.00 O ATOM 1235 CG2 THR A 78 -6.136 -12.322 27.224 1.00 0.00 C ATOM 0 H THR A 78 -7.179 -9.800 24.348 1.00 0.00 H new ATOM 0 HA THR A 78 -8.081 -10.379 26.943 1.00 0.00 H new ATOM 0 HB THR A 78 -5.631 -11.321 25.389 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.472 -11.905 24.295 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.690 -13.268 26.917 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.416 -11.757 27.816 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.025 -12.517 27.823 1.00 0.00 H new ATOM 1243 N SER A 79 -5.164 -8.842 26.762 1.00 0.00 N ATOM 1244 CA SER A 79 -4.183 -8.104 27.548 1.00 0.00 C ATOM 1245 C SER A 79 -4.836 -6.902 28.225 1.00 0.00 C ATOM 1246 O SER A 79 -4.442 -6.507 29.322 1.00 0.00 O ATOM 1247 CB SER A 79 -3.044 -7.627 26.647 1.00 0.00 C ATOM 1248 OG SER A 79 -3.572 -6.798 25.620 1.00 0.00 O ATOM 0 H SER A 79 -4.987 -8.848 25.758 1.00 0.00 H new ATOM 0 HA SER A 79 -3.785 -8.768 28.315 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.308 -7.076 27.233 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.528 -8.482 26.210 1.00 0.00 H new ATOM 0 HG SER A 79 -4.550 -6.857 25.622 1.00 0.00 H new ATOM 1254 N ALA A 80 -5.833 -6.326 27.563 1.00 0.00 N ATOM 1255 CA ALA A 80 -6.532 -5.170 28.111 1.00 0.00 C ATOM 1256 C ALA A 80 -7.177 -5.516 29.449 1.00 0.00 C ATOM 1257 O ALA A 80 -7.171 -4.708 30.379 1.00 0.00 O ATOM 1258 CB ALA A 80 -7.603 -4.691 27.129 1.00 0.00 C ATOM 0 H ALA A 80 -6.173 -6.637 26.653 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.806 -4.373 28.269 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.120 -3.827 27.547 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.133 -4.411 26.186 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.320 -5.493 26.953 1.00 0.00 H new ATOM 1264 N LEU A 81 -7.729 -6.718 29.540 1.00 0.00 N ATOM 1265 CA LEU A 81 -8.374 -7.161 30.771 1.00 0.00 C ATOM 1266 C LEU A 81 -7.352 -7.309 31.891 1.00 0.00 C ATOM 1267 O LEU A 81 -7.674 -7.127 33.065 1.00 0.00 O ATOM 1268 CB LEU A 81 -9.073 -8.498 30.533 1.00 0.00 C ATOM 1269 CG LEU A 81 -10.014 -8.375 29.332 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -10.654 -9.740 29.051 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -11.114 -7.340 29.627 1.00 0.00 C ATOM 0 H LEU A 81 -7.744 -7.401 28.782 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.108 -6.412 31.067 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.335 -9.279 30.352 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.635 -8.790 31.420 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.446 -8.048 28.461 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.325 -9.658 28.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.874 -10.469 28.831 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.218 -10.064 29.926 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.778 -7.260 28.767 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.686 -7.656 30.499 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.657 -6.370 29.825 1.00 0.00 H new