USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 456 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.967 K(o=-0.97,f=-2.5) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.138 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.9!) USER MOD Single : A 38 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 42 SER OG : rot 25:sc= 0.0249 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0231) USER MOD Single : A 48 CYS SG : rot 160:sc= -2.05 USER MOD Single : A 51 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.0035) USER MOD Single : A 54 GLN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.5!) USER MOD Single : A 63 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.526 5.028 -3.239 1.00 0.00 N ATOM 60 CA GLY A 7 10.630 4.082 -2.599 1.00 0.00 C ATOM 61 C GLY A 7 10.040 4.622 -1.312 1.00 0.00 C ATOM 62 O GLY A 7 10.765 4.904 -0.357 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.823 3.828 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.171 3.160 -2.388 1.00 0.00 H new ATOM 66 N LEU A 8 8.719 4.768 -1.284 1.00 0.00 N ATOM 67 CA LEU A 8 8.031 5.280 -0.104 1.00 0.00 C ATOM 68 C LEU A 8 7.488 4.137 0.748 1.00 0.00 C ATOM 69 O LEU A 8 7.454 2.986 0.312 1.00 0.00 O ATOM 70 CB LEU A 8 6.889 6.209 -0.519 1.00 0.00 C ATOM 71 CG LEU A 8 7.291 7.628 -0.923 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.992 8.333 0.228 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.184 7.598 -2.155 1.00 0.00 C ATOM 0 H LEU A 8 8.104 4.539 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 8 8.751 5.842 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.360 5.751 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.182 6.275 0.308 1.00 0.00 H new ATOM 0 HG LEU A 8 6.387 8.186 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.270 9.341 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.320 8.387 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.888 7.777 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.461 8.616 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.084 7.023 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.647 7.133 -2.982 1.00 0.00 H new ATOM 85 N LEU A 9 7.062 4.463 1.964 1.00 0.00 N ATOM 86 CA LEU A 9 6.518 3.464 2.877 1.00 0.00 C ATOM 87 C LEU A 9 5.198 3.937 3.477 1.00 0.00 C ATOM 88 O LEU A 9 5.121 5.017 4.061 1.00 0.00 O ATOM 89 CB LEU A 9 7.521 3.165 3.993 1.00 0.00 C ATOM 90 CG LEU A 9 8.858 2.568 3.552 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.939 2.864 4.580 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.725 1.068 3.332 1.00 0.00 C ATOM 0 H LEU A 9 7.083 5.411 2.340 1.00 0.00 H new ATOM 0 HA LEU A 9 6.332 2.552 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.720 4.091 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.054 2.478 4.699 1.00 0.00 H new ATOM 0 HG LEU A 9 9.147 3.029 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.883 2.432 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.052 3.943 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.657 2.430 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.686 0.660 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.413 0.590 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.981 0.878 2.559 1.00 0.00 H new ATOM 104 N ALA A 10 4.161 3.119 3.330 1.00 0.00 N ATOM 105 CA ALA A 10 2.845 3.451 3.861 1.00 0.00 C ATOM 106 C ALA A 10 2.278 2.300 4.684 1.00 0.00 C ATOM 107 O ALA A 10 2.595 1.135 4.440 1.00 0.00 O ATOM 108 CB ALA A 10 1.894 3.811 2.728 1.00 0.00 C ATOM 0 H ALA A 10 4.207 2.222 2.847 1.00 0.00 H new ATOM 0 HA ALA A 10 2.953 4.314 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.915 4.057 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.285 4.671 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.800 2.964 2.049 1.00 0.00 H new ATOM 114 N ARG A 11 1.439 2.632 5.660 1.00 0.00 N ATOM 115 CA ARG A 11 0.830 1.626 6.520 1.00 0.00 C ATOM 116 C ARG A 11 -0.518 1.177 5.963 1.00 0.00 C ATOM 117 O ARG A 11 -1.095 1.839 5.101 1.00 0.00 O ATOM 118 CB ARG A 11 0.650 2.176 7.937 1.00 0.00 C ATOM 119 CG ARG A 11 0.320 1.108 8.967 1.00 0.00 C ATOM 120 CD ARG A 11 0.704 1.551 10.370 1.00 0.00 C ATOM 121 NE ARG A 11 -0.072 0.856 11.395 1.00 0.00 N ATOM 122 CZ ARG A 11 -0.068 1.200 12.678 1.00 0.00 C ATOM 123 NH1 ARG A 11 0.666 2.223 13.092 1.00 0.00 N ATOM 124 NH2 ARG A 11 -0.801 0.519 13.550 1.00 0.00 N ATOM 0 H ARG A 11 1.166 3.591 5.874 1.00 0.00 H new ATOM 0 HA ARG A 11 1.495 0.763 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.564 2.689 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.146 2.921 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.747 0.886 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.846 0.186 8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.766 1.365 10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.550 2.626 10.466 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.648 0.064 11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.230 2.749 12.425 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.667 2.484 14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.367 -0.269 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.798 0.783 14.535 1.00 0.00 H new ATOM 138 N ALA A 12 -1.012 0.048 6.461 1.00 0.00 N ATOM 139 CA ALA A 12 -2.292 -0.488 6.014 1.00 0.00 C ATOM 140 C ALA A 12 -3.337 -0.409 7.121 1.00 0.00 C ATOM 141 O ALA A 12 -3.365 -1.247 8.024 1.00 0.00 O ATOM 142 CB ALA A 12 -2.126 -1.925 5.543 1.00 0.00 C ATOM 0 H ALA A 12 -0.545 -0.513 7.174 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.640 0.119 5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.089 -2.313 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.418 -1.957 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.752 -2.536 6.364 1.00 0.00 H new ATOM 148 N LEU A 13 -4.195 0.602 7.047 1.00 0.00 N ATOM 149 CA LEU A 13 -5.243 0.791 8.044 1.00 0.00 C ATOM 150 C LEU A 13 -6.264 -0.340 7.982 1.00 0.00 C ATOM 151 O LEU A 13 -6.974 -0.604 8.953 1.00 0.00 O ATOM 152 CB LEU A 13 -5.940 2.136 7.832 1.00 0.00 C ATOM 153 CG LEU A 13 -5.024 3.338 7.601 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.828 4.538 7.126 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.256 3.676 8.870 1.00 0.00 C ATOM 0 H LEU A 13 -4.186 1.304 6.307 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.778 0.782 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.609 2.045 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.562 2.341 8.703 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.305 3.078 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.159 5.384 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.331 4.292 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.571 4.800 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.609 4.534 8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.959 3.916 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.649 2.821 9.166 1.00 0.00 H new ATOM 167 N TYR A 14 -6.332 -1.006 6.834 1.00 0.00 N ATOM 168 CA TYR A 14 -7.267 -2.108 6.645 1.00 0.00 C ATOM 169 C TYR A 14 -6.679 -3.168 5.719 1.00 0.00 C ATOM 170 O TYR A 14 -5.919 -2.855 4.802 1.00 0.00 O ATOM 171 CB TYR A 14 -8.588 -1.592 6.072 1.00 0.00 C ATOM 172 CG TYR A 14 -9.034 -0.276 6.670 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.547 0.930 6.184 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.944 -0.241 7.719 1.00 0.00 C ATOM 175 CE1 TYR A 14 -8.951 2.134 6.728 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.355 0.959 8.268 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.855 2.144 7.769 1.00 0.00 C ATOM 178 OH TYR A 14 -10.261 3.341 8.312 1.00 0.00 O ATOM 0 H TYR A 14 -5.751 -0.802 6.021 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.453 -2.563 7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.486 -1.475 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.364 -2.339 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.841 0.927 5.367 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.337 -1.167 8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.561 3.063 6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.064 0.969 9.083 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.900 3.172 9.035 1.00 0.00 H new ATOM 188 N ASP A 15 -7.036 -4.424 5.965 1.00 0.00 N ATOM 189 CA ASP A 15 -6.546 -5.532 5.153 1.00 0.00 C ATOM 190 C ASP A 15 -7.263 -5.579 3.808 1.00 0.00 C ATOM 191 O ASP A 15 -8.326 -4.983 3.639 1.00 0.00 O ATOM 192 CB ASP A 15 -6.735 -6.857 5.893 1.00 0.00 C ATOM 193 CG ASP A 15 -8.150 -7.035 6.408 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.556 -6.266 7.304 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.850 -7.945 5.916 1.00 0.00 O ATOM 0 H ASP A 15 -7.663 -4.700 6.720 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.483 -5.375 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.488 -7.682 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.038 -6.905 6.730 1.00 0.00 H new ATOM 200 N ASN A 16 -6.673 -6.290 2.853 1.00 0.00 N ATOM 201 CA ASN A 16 -7.255 -6.414 1.521 1.00 0.00 C ATOM 202 C ASN A 16 -7.190 -7.857 1.031 1.00 0.00 C ATOM 203 O ASN A 16 -6.141 -8.499 1.099 1.00 0.00 O ATOM 204 CB ASN A 16 -6.529 -5.495 0.537 1.00 0.00 C ATOM 205 CG ASN A 16 -6.896 -5.787 -0.905 1.00 0.00 C ATOM 206 OD1 ASN A 16 -8.007 -6.228 -1.198 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.960 -5.542 -1.815 1.00 0.00 N ATOM 0 H ASN A 16 -5.792 -6.789 2.976 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.302 -6.117 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.770 -4.457 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.452 -5.608 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.149 -5.719 -2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.052 -5.176 -1.527 1.00 0.00 H new ATOM 214 N CYS A 17 -8.316 -8.359 0.536 1.00 0.00 N ATOM 215 CA CYS A 17 -8.387 -9.727 0.034 1.00 0.00 C ATOM 216 C CYS A 17 -8.484 -9.742 -1.488 1.00 0.00 C ATOM 217 O CYS A 17 -9.563 -9.881 -2.065 1.00 0.00 O ATOM 218 CB CYS A 17 -9.588 -10.453 0.641 1.00 0.00 C ATOM 219 SG CYS A 17 -9.452 -12.256 0.610 1.00 0.00 S ATOM 0 H CYS A 17 -9.192 -7.840 0.471 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.473 -10.244 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.713 -10.126 1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.488 -10.158 0.102 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.514 -12.781 1.147 1.00 0.00 H new ATOM 225 N PRO A 18 -7.331 -9.594 -2.157 1.00 0.00 N ATOM 226 CA PRO A 18 -7.260 -9.587 -3.621 1.00 0.00 C ATOM 227 C PRO A 18 -7.546 -10.959 -4.222 1.00 0.00 C ATOM 228 O PRO A 18 -7.176 -11.986 -3.653 1.00 0.00 O ATOM 229 CB PRO A 18 -5.815 -9.170 -3.904 1.00 0.00 C ATOM 230 CG PRO A 18 -5.057 -9.582 -2.689 1.00 0.00 C ATOM 231 CD PRO A 18 -6.007 -9.424 -1.535 1.00 0.00 C ATOM 0 HA PRO A 18 -8.004 -8.923 -4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.429 -9.661 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.739 -8.096 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.714 -10.613 -2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.171 -8.962 -2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.828 -10.171 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.907 -8.446 -1.063 1.00 0.00 H new ATOM 239 N ASP A 19 -8.206 -10.968 -5.375 1.00 0.00 N ATOM 240 CA ASP A 19 -8.540 -12.215 -6.055 1.00 0.00 C ATOM 241 C ASP A 19 -7.477 -12.572 -7.089 1.00 0.00 C ATOM 242 O ASP A 19 -7.167 -13.746 -7.294 1.00 0.00 O ATOM 243 CB ASP A 19 -9.908 -12.101 -6.730 1.00 0.00 C ATOM 244 CG ASP A 19 -10.027 -12.993 -7.950 1.00 0.00 C ATOM 245 OD1 ASP A 19 -9.389 -12.682 -8.977 1.00 0.00 O ATOM 246 OD2 ASP A 19 -10.758 -14.003 -7.877 1.00 0.00 O ATOM 0 H ASP A 19 -8.520 -10.127 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.576 -13.009 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.686 -12.364 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.081 -11.065 -7.022 1.00 0.00 H new ATOM 251 N CYS A 20 -6.924 -11.553 -7.737 1.00 0.00 N ATOM 252 CA CYS A 20 -5.897 -11.760 -8.752 1.00 0.00 C ATOM 253 C CYS A 20 -4.537 -11.281 -8.254 1.00 0.00 C ATOM 254 O CYS A 20 -4.422 -10.743 -7.153 1.00 0.00 O ATOM 255 CB CYS A 20 -6.269 -11.026 -10.041 1.00 0.00 C ATOM 256 SG CYS A 20 -5.602 -11.784 -11.541 1.00 0.00 S ATOM 0 H CYS A 20 -7.169 -10.576 -7.578 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.833 -12.829 -8.957 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.355 -10.982 -10.121 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.912 -9.998 -9.977 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.972 -11.093 -12.578 1.00 0.00 H new ATOM 262 N SER A 21 -3.509 -11.482 -9.072 1.00 0.00 N ATOM 263 CA SER A 21 -2.155 -11.076 -8.713 1.00 0.00 C ATOM 264 C SER A 21 -1.972 -9.572 -8.896 1.00 0.00 C ATOM 265 O SER A 21 -1.173 -8.944 -8.201 1.00 0.00 O ATOM 266 CB SER A 21 -1.131 -11.832 -9.561 1.00 0.00 C ATOM 267 OG SER A 21 -1.307 -11.556 -10.940 1.00 0.00 O ATOM 0 H SER A 21 -3.588 -11.924 -9.988 1.00 0.00 H new ATOM 0 HA SER A 21 -1.996 -11.319 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.123 -11.550 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.229 -12.903 -9.386 1.00 0.00 H new ATOM 0 HG SER A 21 -0.639 -12.050 -11.460 1.00 0.00 H new ATOM 273 N ASP A 22 -2.719 -9.002 -9.835 1.00 0.00 N ATOM 274 CA ASP A 22 -2.641 -7.572 -10.110 1.00 0.00 C ATOM 275 C ASP A 22 -2.662 -6.767 -8.814 1.00 0.00 C ATOM 276 O ASP A 22 -1.886 -5.827 -8.644 1.00 0.00 O ATOM 277 CB ASP A 22 -3.800 -7.140 -11.010 1.00 0.00 C ATOM 278 CG ASP A 22 -5.089 -7.867 -10.683 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.498 -7.848 -9.504 1.00 0.00 O ATOM 280 OD2 ASP A 22 -5.689 -8.456 -11.607 1.00 0.00 O ATOM 0 H ASP A 22 -3.385 -9.508 -10.418 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.699 -7.377 -10.623 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.956 -6.066 -10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.536 -7.325 -12.051 1.00 0.00 H new ATOM 285 N GLU A 23 -3.554 -7.144 -7.903 1.00 0.00 N ATOM 286 CA GLU A 23 -3.676 -6.456 -6.623 1.00 0.00 C ATOM 287 C GLU A 23 -2.721 -7.051 -5.593 1.00 0.00 C ATOM 288 O GLU A 23 -2.107 -8.092 -5.827 1.00 0.00 O ATOM 289 CB GLU A 23 -5.115 -6.538 -6.110 1.00 0.00 C ATOM 290 CG GLU A 23 -6.010 -5.425 -6.626 1.00 0.00 C ATOM 291 CD GLU A 23 -7.431 -5.530 -6.106 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.707 -4.985 -5.017 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.267 -6.158 -6.789 1.00 0.00 O ATOM 0 H GLU A 23 -4.202 -7.922 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.412 -5.409 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.541 -7.499 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.105 -6.509 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.591 -4.462 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.023 -5.450 -7.716 1.00 0.00 H new ATOM 300 N LEU A 24 -2.601 -6.383 -4.451 1.00 0.00 N ATOM 301 CA LEU A 24 -1.721 -6.844 -3.383 1.00 0.00 C ATOM 302 C LEU A 24 -2.528 -7.303 -2.173 1.00 0.00 C ATOM 303 O LEU A 24 -3.526 -6.683 -1.808 1.00 0.00 O ATOM 304 CB LEU A 24 -0.755 -5.730 -2.974 1.00 0.00 C ATOM 305 CG LEU A 24 0.604 -6.183 -2.441 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.650 -5.099 -2.657 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.506 -6.546 -0.967 1.00 0.00 C ATOM 0 H LEU A 24 -3.102 -5.520 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.149 -7.693 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.588 -5.086 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.238 -5.120 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 24 0.911 -7.071 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.611 -5.439 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.741 -4.888 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.348 -4.193 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.483 -6.866 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.176 -5.676 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.212 -7.356 -0.839 1.00 0.00 H new ATOM 319 N ALA A 25 -2.087 -8.393 -1.553 1.00 0.00 N ATOM 320 CA ALA A 25 -2.765 -8.933 -0.381 1.00 0.00 C ATOM 321 C ALA A 25 -1.988 -8.624 0.894 1.00 0.00 C ATOM 322 O ALA A 25 -0.977 -9.263 1.187 1.00 0.00 O ATOM 323 CB ALA A 25 -2.963 -10.434 -0.531 1.00 0.00 C ATOM 0 H ALA A 25 -1.263 -8.919 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.742 -8.455 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.470 -10.824 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.567 -10.635 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.993 -10.920 -0.636 1.00 0.00 H new ATOM 329 N PHE A 26 -2.465 -7.640 1.649 1.00 0.00 N ATOM 330 CA PHE A 26 -1.814 -7.246 2.892 1.00 0.00 C ATOM 331 C PHE A 26 -2.824 -7.161 4.033 1.00 0.00 C ATOM 332 O PHE A 26 -4.011 -6.924 3.809 1.00 0.00 O ATOM 333 CB PHE A 26 -1.110 -5.898 2.719 1.00 0.00 C ATOM 334 CG PHE A 26 -2.028 -4.796 2.273 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.757 -4.066 3.198 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.161 -4.489 0.928 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.602 -3.051 2.791 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.004 -3.475 0.515 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.726 -2.756 1.447 1.00 0.00 C ATOM 0 H PHE A 26 -3.300 -7.101 1.421 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.074 -8.006 3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.647 -5.615 3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.306 -6.008 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.664 -4.293 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.599 -5.049 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.164 -2.489 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.098 -3.245 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.387 -1.964 1.126 1.00 0.00 H new ATOM 349 N SER A 27 -2.344 -7.358 5.256 1.00 0.00 N ATOM 350 CA SER A 27 -3.205 -7.309 6.432 1.00 0.00 C ATOM 351 C SER A 27 -3.052 -5.978 7.162 1.00 0.00 C ATOM 352 O SER A 27 -2.114 -5.222 6.908 1.00 0.00 O ATOM 353 CB SER A 27 -2.876 -8.464 7.380 1.00 0.00 C ATOM 354 OG SER A 27 -3.415 -9.685 6.902 1.00 0.00 O ATOM 0 H SER A 27 -1.364 -7.553 5.459 1.00 0.00 H new ATOM 0 HA SER A 27 -4.239 -7.405 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.795 -8.556 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.275 -8.250 8.371 1.00 0.00 H new ATOM 0 HG SER A 27 -3.190 -10.408 7.524 1.00 0.00 H new ATOM 360 N ARG A 28 -3.981 -5.698 8.070 1.00 0.00 N ATOM 361 CA ARG A 28 -3.951 -4.458 8.837 1.00 0.00 C ATOM 362 C ARG A 28 -2.743 -4.424 9.768 1.00 0.00 C ATOM 363 O ARG A 28 -2.450 -5.400 10.458 1.00 0.00 O ATOM 364 CB ARG A 28 -5.239 -4.305 9.649 1.00 0.00 C ATOM 365 CG ARG A 28 -5.224 -3.115 10.595 1.00 0.00 C ATOM 366 CD ARG A 28 -4.608 -3.478 11.937 1.00 0.00 C ATOM 367 NE ARG A 28 -5.001 -2.545 12.989 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.945 -2.833 14.285 1.00 0.00 C ATOM 369 NH1 ARG A 28 -4.515 -4.021 14.685 1.00 0.00 N ATOM 370 NH2 ARG A 28 -5.320 -1.931 15.183 1.00 0.00 N ATOM 0 H ARG A 28 -4.764 -6.313 8.293 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.871 -3.628 8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.081 -4.203 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.405 -5.215 10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.661 -2.298 10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.242 -2.756 10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.913 -4.487 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.522 -3.486 11.847 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.337 -1.622 12.714 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.226 -4.717 13.997 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.473 -4.240 15.680 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.652 -1.016 14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.277 -2.153 16.178 1.00 0.00 H new ATOM 384 N GLY A 29 -2.045 -3.292 9.782 1.00 0.00 N ATOM 385 CA GLY A 29 -0.876 -3.152 10.631 1.00 0.00 C ATOM 386 C GLY A 29 0.394 -3.623 9.951 1.00 0.00 C ATOM 387 O GLY A 29 1.345 -4.036 10.616 1.00 0.00 O ATOM 0 H GLY A 29 -2.268 -2.470 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.764 -2.107 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.026 -3.722 11.548 1.00 0.00 H new ATOM 391 N ASP A 30 0.410 -3.562 8.624 1.00 0.00 N ATOM 392 CA ASP A 30 1.574 -3.987 7.854 1.00 0.00 C ATOM 393 C ASP A 30 2.167 -2.816 7.076 1.00 0.00 C ATOM 394 O ASP A 30 1.439 -1.959 6.575 1.00 0.00 O ATOM 395 CB ASP A 30 1.192 -5.113 6.892 1.00 0.00 C ATOM 396 CG ASP A 30 0.907 -6.417 7.611 1.00 0.00 C ATOM 397 OD1 ASP A 30 -0.116 -6.490 8.323 1.00 0.00 O ATOM 398 OD2 ASP A 30 1.708 -7.364 7.463 1.00 0.00 O ATOM 0 H ASP A 30 -0.369 -3.223 8.059 1.00 0.00 H new ATOM 0 HA ASP A 30 2.326 -4.355 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.312 -4.816 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.000 -5.265 6.176 1.00 0.00 H new ATOM 403 N ILE A 31 3.492 -2.787 6.982 1.00 0.00 N ATOM 404 CA ILE A 31 4.182 -1.721 6.265 1.00 0.00 C ATOM 405 C ILE A 31 4.475 -2.128 4.825 1.00 0.00 C ATOM 406 O ILE A 31 5.219 -3.077 4.575 1.00 0.00 O ATOM 407 CB ILE A 31 5.504 -1.341 6.958 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.248 -0.961 8.418 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.181 -0.198 6.218 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.340 0.238 8.580 1.00 0.00 C ATOM 0 H ILE A 31 4.109 -3.488 7.393 1.00 0.00 H new ATOM 0 HA ILE A 31 3.518 -0.857 6.268 1.00 0.00 H new ATOM 0 HB ILE A 31 6.169 -2.204 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.807 -1.813 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.201 -0.753 8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.114 0.059 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.393 -0.503 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.523 0.671 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.203 0.450 9.640 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.789 1.103 8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.373 0.026 8.124 1.00 0.00 H new ATOM 422 N LEU A 32 3.887 -1.402 3.880 1.00 0.00 N ATOM 423 CA LEU A 32 4.086 -1.685 2.463 1.00 0.00 C ATOM 424 C LEU A 32 5.105 -0.727 1.854 1.00 0.00 C ATOM 425 O LEU A 32 5.180 0.442 2.234 1.00 0.00 O ATOM 426 CB LEU A 32 2.759 -1.581 1.711 1.00 0.00 C ATOM 427 CG LEU A 32 1.853 -2.811 1.774 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.570 -4.031 1.218 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.396 -3.064 3.204 1.00 0.00 C ATOM 0 H LEU A 32 3.269 -0.613 4.070 1.00 0.00 H new ATOM 0 HA LEU A 32 4.470 -2.701 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.207 -0.728 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.974 -1.366 0.664 1.00 0.00 H new ATOM 0 HG LEU A 32 0.972 -2.622 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.910 -4.897 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.847 -3.849 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.468 -4.224 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.752 -3.943 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.265 -3.232 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.843 -2.198 3.568 1.00 0.00 H new ATOM 441 N THR A 33 5.889 -1.229 0.905 1.00 0.00 N ATOM 442 CA THR A 33 6.903 -0.419 0.242 1.00 0.00 C ATOM 443 C THR A 33 6.410 0.079 -1.112 1.00 0.00 C ATOM 444 O THR A 33 6.467 -0.644 -2.107 1.00 0.00 O ATOM 445 CB THR A 33 8.210 -1.208 0.042 1.00 0.00 C ATOM 446 OG1 THR A 33 8.725 -1.632 1.309 1.00 0.00 O ATOM 447 CG2 THR A 33 9.250 -0.359 -0.675 1.00 0.00 C ATOM 0 H THR A 33 5.841 -2.194 0.578 1.00 0.00 H new ATOM 0 HA THR A 33 7.099 0.435 0.890 1.00 0.00 H new ATOM 0 HB THR A 33 7.991 -2.082 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.555 -2.135 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.165 -0.937 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.867 -0.062 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.464 0.531 -0.083 1.00 0.00 H new ATOM 455 N ILE A 34 5.928 1.317 -1.143 1.00 0.00 N ATOM 456 CA ILE A 34 5.428 1.910 -2.376 1.00 0.00 C ATOM 457 C ILE A 34 6.537 2.036 -3.415 1.00 0.00 C ATOM 458 O ILE A 34 7.387 2.923 -3.328 1.00 0.00 O ATOM 459 CB ILE A 34 4.817 3.301 -2.124 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.752 3.223 -1.028 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.223 3.860 -3.408 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.327 4.576 -0.500 1.00 0.00 C ATOM 0 H ILE A 34 5.873 1.928 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 34 4.653 1.244 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 34 5.607 3.973 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.877 2.704 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.136 2.624 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.795 4.843 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.005 3.947 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.443 3.190 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.570 4.443 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.191 5.090 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.913 5.171 -1.314 1.00 0.00 H new ATOM 474 N LEU A 35 6.522 1.144 -4.399 1.00 0.00 N ATOM 475 CA LEU A 35 7.525 1.155 -5.458 1.00 0.00 C ATOM 476 C LEU A 35 7.318 2.343 -6.392 1.00 0.00 C ATOM 477 O LEU A 35 8.255 3.083 -6.687 1.00 0.00 O ATOM 478 CB LEU A 35 7.470 -0.150 -6.254 1.00 0.00 C ATOM 479 CG LEU A 35 7.515 -1.439 -5.433 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.075 -2.625 -6.277 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.912 -1.668 -4.875 1.00 0.00 C ATOM 0 H LEU A 35 5.826 0.403 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 35 8.507 1.248 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.555 -0.152 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.305 -0.160 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 35 6.824 -1.338 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.113 -3.534 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.055 -2.464 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.740 -2.729 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.925 -2.590 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.624 -1.747 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.190 -0.831 -4.234 1.00 0.00 H new ATOM 493 N GLU A 36 6.083 2.519 -6.852 1.00 0.00 N ATOM 494 CA GLU A 36 5.753 3.619 -7.752 1.00 0.00 C ATOM 495 C GLU A 36 4.398 4.224 -7.397 1.00 0.00 C ATOM 496 O GLU A 36 3.429 3.504 -7.159 1.00 0.00 O ATOM 497 CB GLU A 36 5.743 3.134 -9.203 1.00 0.00 C ATOM 498 CG GLU A 36 4.579 2.213 -9.529 1.00 0.00 C ATOM 499 CD GLU A 36 4.841 1.351 -10.748 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.022 1.041 -11.012 1.00 0.00 O ATOM 501 OE2 GLU A 36 3.867 0.986 -11.439 1.00 0.00 O ATOM 0 H GLU A 36 5.295 1.915 -6.617 1.00 0.00 H new ATOM 0 HA GLU A 36 6.516 4.389 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.708 3.999 -9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.677 2.612 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.377 1.571 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.683 2.811 -9.697 1.00 0.00 H new ATOM 508 N GLN A 37 4.341 5.552 -7.363 1.00 0.00 N ATOM 509 CA GLN A 37 3.106 6.254 -7.035 1.00 0.00 C ATOM 510 C GLN A 37 2.241 6.443 -8.278 1.00 0.00 C ATOM 511 O GLN A 37 1.013 6.390 -8.206 1.00 0.00 O ATOM 512 CB GLN A 37 3.418 7.613 -6.406 1.00 0.00 C ATOM 513 CG GLN A 37 3.866 7.523 -4.956 1.00 0.00 C ATOM 514 CD GLN A 37 4.619 8.757 -4.500 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.934 9.637 -5.302 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.912 8.828 -3.207 1.00 0.00 N ATOM 0 H GLN A 37 5.135 6.162 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 37 2.553 5.648 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.198 8.104 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.531 8.244 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.994 7.378 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.502 6.647 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.631 8.075 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.418 9.635 -2.842 1.00 0.00 H new ATOM 525 N HIS A 38 2.890 6.663 -9.417 1.00 0.00 N ATOM 526 CA HIS A 38 2.180 6.860 -10.675 1.00 0.00 C ATOM 527 C HIS A 38 1.722 5.525 -11.255 1.00 0.00 C ATOM 528 O HIS A 38 2.530 4.744 -11.758 1.00 0.00 O ATOM 529 CB HIS A 38 3.074 7.585 -11.682 1.00 0.00 C ATOM 530 CG HIS A 38 2.311 8.358 -12.713 1.00 0.00 C ATOM 531 ND1 HIS A 38 2.118 9.722 -12.641 1.00 0.00 N ATOM 532 CD2 HIS A 38 1.692 7.951 -13.846 1.00 0.00 C ATOM 533 CE1 HIS A 38 1.412 10.119 -13.684 1.00 0.00 C ATOM 534 NE2 HIS A 38 1.141 9.064 -14.431 1.00 0.00 N ATOM 0 H HIS A 38 3.906 6.709 -9.494 1.00 0.00 H new ATOM 0 HA HIS A 38 1.300 7.471 -10.475 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.734 8.266 -11.145 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.709 6.855 -12.184 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.641 6.939 -14.220 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.108 11.134 -13.891 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.609 9.075 -15.301 1.00 0.00 H new ATOM 543 N VAL A 39 0.420 5.268 -11.179 1.00 0.00 N ATOM 544 CA VAL A 39 -0.146 4.027 -11.696 1.00 0.00 C ATOM 545 C VAL A 39 -1.335 4.305 -12.609 1.00 0.00 C ATOM 546 O VAL A 39 -2.472 4.454 -12.161 1.00 0.00 O ATOM 547 CB VAL A 39 -0.596 3.097 -10.554 1.00 0.00 C ATOM 548 CG1 VAL A 39 -1.130 1.786 -11.112 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.552 2.847 -9.588 1.00 0.00 C ATOM 0 H VAL A 39 -0.263 5.902 -10.765 1.00 0.00 H new ATOM 0 HA VAL A 39 0.640 3.534 -12.267 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.402 3.586 -10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.443 1.142 -10.291 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.983 1.987 -11.761 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.347 1.289 -11.685 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.217 2.188 -8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.380 2.379 -10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.883 3.795 -9.163 1.00 0.00 H new ATOM 559 N PRO A 40 -1.069 4.375 -13.922 1.00 0.00 N ATOM 560 CA PRO A 40 -2.104 4.633 -14.927 1.00 0.00 C ATOM 561 C PRO A 40 -3.065 3.459 -15.085 1.00 0.00 C ATOM 562 O PRO A 40 -4.262 3.650 -15.291 1.00 0.00 O ATOM 563 CB PRO A 40 -1.304 4.846 -16.214 1.00 0.00 C ATOM 564 CG PRO A 40 -0.032 4.101 -15.997 1.00 0.00 C ATOM 565 CD PRO A 40 0.264 4.206 -14.526 1.00 0.00 C ATOM 0 HA PRO A 40 -2.733 5.480 -14.655 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.842 4.466 -17.082 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.117 5.905 -16.393 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.133 3.059 -16.301 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.777 4.529 -16.589 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.765 3.313 -14.152 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.915 5.052 -14.306 1.00 0.00 H new ATOM 573 N GLU A 41 -2.531 2.246 -14.986 1.00 0.00 N ATOM 574 CA GLU A 41 -3.342 1.042 -15.118 1.00 0.00 C ATOM 575 C GLU A 41 -4.454 1.017 -14.073 1.00 0.00 C ATOM 576 O GLU A 41 -5.475 0.354 -14.252 1.00 0.00 O ATOM 577 CB GLU A 41 -2.469 -0.207 -14.978 1.00 0.00 C ATOM 578 CG GLU A 41 -1.674 -0.252 -13.684 1.00 0.00 C ATOM 579 CD GLU A 41 -0.928 -1.560 -13.504 1.00 0.00 C ATOM 580 OE1 GLU A 41 -1.512 -2.503 -12.931 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.241 -1.639 -13.936 1.00 0.00 O ATOM 0 H GLU A 41 -1.541 2.071 -14.815 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.797 1.050 -16.108 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.103 -1.092 -15.036 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.779 -0.254 -15.820 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.962 0.573 -13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.349 -0.104 -12.841 1.00 0.00 H new ATOM 588 N SER A 42 -4.247 1.745 -12.980 1.00 0.00 N ATOM 589 CA SER A 42 -5.228 1.804 -11.903 1.00 0.00 C ATOM 590 C SER A 42 -5.258 3.192 -11.271 1.00 0.00 C ATOM 591 O SER A 42 -4.300 3.611 -10.623 1.00 0.00 O ATOM 592 CB SER A 42 -4.912 0.753 -10.838 1.00 0.00 C ATOM 593 OG SER A 42 -5.509 -0.492 -11.157 1.00 0.00 O ATOM 0 H SER A 42 -3.408 2.302 -12.817 1.00 0.00 H new ATOM 0 HA SER A 42 -6.210 1.596 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.832 0.631 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.272 1.094 -9.868 1.00 0.00 H new ATOM 0 HG SER A 42 -5.646 -0.550 -12.126 1.00 0.00 H new ATOM 599 N GLU A 43 -6.367 3.901 -11.465 1.00 0.00 N ATOM 600 CA GLU A 43 -6.522 5.242 -10.915 1.00 0.00 C ATOM 601 C GLU A 43 -6.831 5.185 -9.422 1.00 0.00 C ATOM 602 O GLU A 43 -7.943 4.843 -9.020 1.00 0.00 O ATOM 603 CB GLU A 43 -7.634 5.993 -11.649 1.00 0.00 C ATOM 604 CG GLU A 43 -7.917 7.372 -11.077 1.00 0.00 C ATOM 605 CD GLU A 43 -8.795 7.322 -9.842 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.749 6.516 -9.823 1.00 0.00 O ATOM 607 OE2 GLU A 43 -8.528 8.089 -8.893 1.00 0.00 O ATOM 0 H GLU A 43 -7.170 3.568 -11.999 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.581 5.775 -11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.361 6.094 -12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.547 5.399 -11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.974 7.859 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.401 7.985 -11.838 1.00 0.00 H new ATOM 614 N GLY A 44 -5.839 5.522 -8.604 1.00 0.00 N ATOM 615 CA GLY A 44 -6.024 5.502 -7.164 1.00 0.00 C ATOM 616 C GLY A 44 -5.474 4.242 -6.527 1.00 0.00 C ATOM 617 O GLY A 44 -6.071 3.696 -5.599 1.00 0.00 O ATOM 0 H GLY A 44 -4.910 5.809 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.533 6.371 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.086 5.587 -6.936 1.00 0.00 H new ATOM 621 N TRP A 45 -4.334 3.778 -7.025 1.00 0.00 N ATOM 622 CA TRP A 45 -3.704 2.572 -6.498 1.00 0.00 C ATOM 623 C TRP A 45 -2.194 2.749 -6.391 1.00 0.00 C ATOM 624 O TRP A 45 -1.612 3.610 -7.051 1.00 0.00 O ATOM 625 CB TRP A 45 -4.027 1.372 -7.390 1.00 0.00 C ATOM 626 CG TRP A 45 -5.469 0.966 -7.340 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.520 1.596 -7.944 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.019 -0.159 -6.646 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.689 0.930 -7.668 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.409 -0.151 -6.875 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.473 -1.174 -5.857 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.257 -1.117 -6.340 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.315 -2.133 -5.326 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.695 -2.099 -5.570 1.00 0.00 C ATOM 0 H TRP A 45 -3.827 4.218 -7.793 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.101 2.391 -5.499 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.760 1.611 -8.419 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.408 0.527 -7.088 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.443 2.487 -8.550 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.616 1.197 -8.000 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.411 -1.209 -5.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.321 -1.092 -6.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.903 -2.921 -4.713 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.327 -2.863 -5.142 1.00 0.00 H new ATOM 645 N TRP A 46 -1.564 1.929 -5.557 1.00 0.00 N ATOM 646 CA TRP A 46 -0.120 1.996 -5.364 1.00 0.00 C ATOM 647 C TRP A 46 0.511 0.615 -5.495 1.00 0.00 C ATOM 648 O TRP A 46 0.001 -0.366 -4.952 1.00 0.00 O ATOM 649 CB TRP A 46 0.205 2.592 -3.993 1.00 0.00 C ATOM 650 CG TRP A 46 -0.051 4.066 -3.910 1.00 0.00 C ATOM 651 CD1 TRP A 46 0.067 4.977 -4.920 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.466 4.800 -2.752 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.250 6.232 -4.461 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.581 6.151 -3.134 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.754 4.447 -1.431 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.970 7.146 -2.242 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.139 5.436 -0.546 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.245 6.772 -0.955 1.00 0.00 C ATOM 0 H TRP A 46 -2.030 1.210 -5.004 1.00 0.00 H new ATOM 0 HA TRP A 46 0.296 2.639 -6.139 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.390 2.084 -3.234 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.252 2.399 -3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.366 4.745 -5.932 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.241 7.086 -5.018 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.677 3.419 -1.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.052 8.177 -2.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.362 5.175 0.478 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.550 7.522 -0.240 1.00 0.00 H new ATOM 669 N LYS A 47 1.624 0.544 -6.218 1.00 0.00 N ATOM 670 CA LYS A 47 2.326 -0.718 -6.419 1.00 0.00 C ATOM 671 C LYS A 47 3.356 -0.949 -5.318 1.00 0.00 C ATOM 672 O LYS A 47 4.475 -0.439 -5.385 1.00 0.00 O ATOM 673 CB LYS A 47 3.014 -0.730 -7.786 1.00 0.00 C ATOM 674 CG LYS A 47 3.378 -2.122 -8.271 1.00 0.00 C ATOM 675 CD LYS A 47 3.795 -2.112 -9.733 1.00 0.00 C ATOM 676 CE LYS A 47 2.588 -2.038 -10.656 1.00 0.00 C ATOM 677 NZ LYS A 47 1.885 -3.347 -10.756 1.00 0.00 N ATOM 0 H LYS A 47 2.059 1.346 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 47 1.592 -1.523 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.358 -0.259 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.919 -0.124 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.190 -2.519 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.526 -2.789 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.450 -1.261 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.370 -3.011 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.895 -1.281 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.909 -1.721 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.154 -3.293 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.569 -4.091 -11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.440 -3.573 -9.844 1.00 0.00 H new ATOM 691 N CYS A 48 2.972 -1.721 -4.307 1.00 0.00 N ATOM 692 CA CYS A 48 3.863 -2.019 -3.192 1.00 0.00 C ATOM 693 C CYS A 48 4.389 -3.448 -3.284 1.00 0.00 C ATOM 694 O CYS A 48 3.852 -4.273 -4.024 1.00 0.00 O ATOM 695 CB CYS A 48 3.136 -1.816 -1.862 1.00 0.00 C ATOM 696 SG CYS A 48 2.603 -0.113 -1.565 1.00 0.00 S ATOM 0 H CYS A 48 2.050 -2.152 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 48 4.710 -1.334 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.264 -2.469 -1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.793 -2.127 -1.050 1.00 0.00 H new ATOM 0 HG CYS A 48 1.660 -0.103 -0.671 1.00 0.00 H new ATOM 702 N LEU A 49 5.444 -3.734 -2.529 1.00 0.00 N ATOM 703 CA LEU A 49 6.045 -5.063 -2.526 1.00 0.00 C ATOM 704 C LEU A 49 5.975 -5.690 -1.137 1.00 0.00 C ATOM 705 O LEU A 49 6.438 -5.106 -0.156 1.00 0.00 O ATOM 706 CB LEU A 49 7.501 -4.988 -2.990 1.00 0.00 C ATOM 707 CG LEU A 49 8.260 -6.314 -3.036 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.554 -6.810 -1.629 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.471 -7.354 -3.817 1.00 0.00 C ATOM 0 H LEU A 49 5.901 -3.063 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 49 5.481 -5.690 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.522 -4.546 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.038 -4.308 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 49 9.209 -6.150 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.095 -7.755 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.161 -6.073 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.617 -6.958 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.027 -8.291 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.506 -7.516 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.314 -7.001 -4.836 1.00 0.00 H new ATOM 721 N LEU A 50 5.394 -6.882 -1.060 1.00 0.00 N ATOM 722 CA LEU A 50 5.264 -7.590 0.209 1.00 0.00 C ATOM 723 C LEU A 50 5.338 -9.099 0.000 1.00 0.00 C ATOM 724 O LEU A 50 4.650 -9.652 -0.859 1.00 0.00 O ATOM 725 CB LEU A 50 3.945 -7.222 0.888 1.00 0.00 C ATOM 726 CG LEU A 50 3.756 -7.742 2.314 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.393 -6.793 3.317 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.277 -7.931 2.621 1.00 0.00 C ATOM 0 H LEU A 50 5.005 -7.379 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 50 6.092 -7.289 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.859 -6.136 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.126 -7.598 0.274 1.00 0.00 H new ATOM 0 HG LEU A 50 4.251 -8.710 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.248 -7.179 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.460 -6.708 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.928 -5.811 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.161 -8.301 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.760 -6.977 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.849 -8.650 1.923 1.00 0.00 H new ATOM 740 N HIS A 51 6.175 -9.761 0.793 1.00 0.00 N ATOM 741 CA HIS A 51 6.337 -11.207 0.697 1.00 0.00 C ATOM 742 C HIS A 51 6.297 -11.663 -0.758 1.00 0.00 C ATOM 743 O HIS A 51 5.613 -12.627 -1.099 1.00 0.00 O ATOM 744 CB HIS A 51 5.244 -11.918 1.496 1.00 0.00 C ATOM 745 CG HIS A 51 5.529 -11.994 2.965 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.972 -13.141 3.587 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.434 -11.054 3.935 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.135 -12.906 4.877 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.816 -11.646 5.114 1.00 0.00 N ATOM 0 H HIS A 51 6.751 -9.319 1.509 1.00 0.00 H new ATOM 0 HA HIS A 51 7.310 -11.467 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.298 -11.398 1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.119 -12.928 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.117 -10.030 3.806 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.472 -13.622 5.612 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.848 -11.187 6.025 1.00 0.00 H new ATOM 758 N GLY A 52 7.036 -10.962 -1.613 1.00 0.00 N ATOM 759 CA GLY A 52 7.070 -11.310 -3.022 1.00 0.00 C ATOM 760 C GLY A 52 5.707 -11.205 -3.678 1.00 0.00 C ATOM 761 O GLY A 52 5.298 -12.098 -4.421 1.00 0.00 O ATOM 0 H GLY A 52 7.611 -10.160 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.770 -10.653 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.446 -12.327 -3.133 1.00 0.00 H new ATOM 765 N ARG A 53 5.002 -10.113 -3.403 1.00 0.00 N ATOM 766 CA ARG A 53 3.677 -9.896 -3.970 1.00 0.00 C ATOM 767 C ARG A 53 3.760 -9.056 -5.241 1.00 0.00 C ATOM 768 O ARG A 53 3.362 -9.503 -6.317 1.00 0.00 O ATOM 769 CB ARG A 53 2.769 -9.207 -2.949 1.00 0.00 C ATOM 770 CG ARG A 53 2.225 -10.146 -1.886 1.00 0.00 C ATOM 771 CD ARG A 53 0.974 -10.866 -2.365 1.00 0.00 C ATOM 772 NE ARG A 53 1.289 -12.121 -3.042 1.00 0.00 N ATOM 773 CZ ARG A 53 0.432 -12.772 -3.820 1.00 0.00 C ATOM 774 NH1 ARG A 53 -0.787 -12.288 -4.020 1.00 0.00 N ATOM 775 NH2 ARG A 53 0.793 -13.908 -4.402 1.00 0.00 N ATOM 0 H ARG A 53 5.326 -9.364 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 53 3.255 -10.868 -4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.326 -8.406 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.934 -8.743 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.988 -10.878 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.997 -9.581 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.323 -11.067 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.420 -10.217 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 53 2.219 -12.520 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.068 -11.414 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.443 -12.790 -4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.730 -14.283 -4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.134 -14.407 -4.999 1.00 0.00 H new ATOM 789 N GLN A 54 4.278 -7.840 -5.108 1.00 0.00 N ATOM 790 CA GLN A 54 4.412 -6.938 -6.247 1.00 0.00 C ATOM 791 C GLN A 54 3.051 -6.639 -6.867 1.00 0.00 C ATOM 792 O GLN A 54 2.870 -6.757 -8.078 1.00 0.00 O ATOM 793 CB GLN A 54 5.342 -7.545 -7.298 1.00 0.00 C ATOM 794 CG GLN A 54 6.805 -7.183 -7.098 1.00 0.00 C ATOM 795 CD GLN A 54 7.582 -7.153 -8.399 1.00 0.00 C ATOM 796 OE1 GLN A 54 8.436 -8.006 -8.644 1.00 0.00 O ATOM 797 NE2 GLN A 54 7.290 -6.170 -9.241 1.00 0.00 N ATOM 0 H GLN A 54 4.612 -7.456 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 54 4.841 -6.002 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.239 -8.630 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.026 -7.212 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.871 -6.207 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.264 -7.904 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.575 -5.485 -8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.781 -6.099 -10.132 1.00 0.00 H new ATOM 806 N GLY A 55 2.095 -6.252 -6.027 1.00 0.00 N ATOM 807 CA GLY A 55 0.763 -5.942 -6.511 1.00 0.00 C ATOM 808 C GLY A 55 0.337 -4.528 -6.171 1.00 0.00 C ATOM 809 O GLY A 55 1.057 -3.802 -5.485 1.00 0.00 O ATOM 0 H GLY A 55 2.220 -6.148 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.732 -6.077 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.051 -6.646 -6.081 1.00 0.00 H new ATOM 813 N LEU A 56 -0.837 -4.134 -6.653 1.00 0.00 N ATOM 814 CA LEU A 56 -1.358 -2.795 -6.398 1.00 0.00 C ATOM 815 C LEU A 56 -2.059 -2.732 -5.045 1.00 0.00 C ATOM 816 O LEU A 56 -2.450 -3.758 -4.489 1.00 0.00 O ATOM 817 CB LEU A 56 -2.329 -2.384 -7.507 1.00 0.00 C ATOM 818 CG LEU A 56 -1.764 -2.387 -8.928 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.883 -2.238 -9.947 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.736 -1.277 -9.095 1.00 0.00 C ATOM 0 H LEU A 56 -1.446 -4.722 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.517 -2.102 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.188 -3.054 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.699 -1.383 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.269 -3.343 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.462 -2.242 -10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.583 -3.067 -9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.407 -1.298 -9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.344 -1.294 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.207 -0.313 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.081 -1.428 -8.389 1.00 0.00 H new ATOM 832 N ALA A 57 -2.216 -1.521 -4.521 1.00 0.00 N ATOM 833 CA ALA A 57 -2.873 -1.324 -3.235 1.00 0.00 C ATOM 834 C ALA A 57 -3.729 -0.061 -3.243 1.00 0.00 C ATOM 835 O ALA A 57 -3.372 0.955 -3.840 1.00 0.00 O ATOM 836 CB ALA A 57 -1.841 -1.257 -2.119 1.00 0.00 C ATOM 0 H ALA A 57 -1.897 -0.661 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.530 -2.176 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.346 -1.110 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.275 -2.188 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.161 -0.425 -2.302 1.00 0.00 H new ATOM 842 N PRO A 58 -4.885 -0.125 -2.568 1.00 0.00 N ATOM 843 CA PRO A 58 -5.815 1.005 -2.482 1.00 0.00 C ATOM 844 C PRO A 58 -5.267 2.145 -1.631 1.00 0.00 C ATOM 845 O PRO A 58 -5.210 2.045 -0.405 1.00 0.00 O ATOM 846 CB PRO A 58 -7.056 0.395 -1.825 1.00 0.00 C ATOM 847 CG PRO A 58 -6.540 -0.768 -1.050 1.00 0.00 C ATOM 848 CD PRO A 58 -5.374 -1.304 -1.834 1.00 0.00 C ATOM 0 HA PRO A 58 -6.008 1.448 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.554 1.114 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.786 0.081 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.231 -0.464 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.311 -1.529 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.606 -1.717 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.678 -2.102 -2.512 1.00 0.00 H new ATOM 856 N ALA A 59 -4.864 3.228 -2.287 1.00 0.00 N ATOM 857 CA ALA A 59 -4.323 4.387 -1.590 1.00 0.00 C ATOM 858 C ALA A 59 -5.326 4.939 -0.582 1.00 0.00 C ATOM 859 O ALA A 59 -4.965 5.704 0.311 1.00 0.00 O ATOM 860 CB ALA A 59 -3.925 5.465 -2.587 1.00 0.00 C ATOM 0 H ALA A 59 -4.902 3.326 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.435 4.069 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.522 6.325 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.167 5.072 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.800 5.772 -3.160 1.00 0.00 H new ATOM 866 N ASN A 60 -6.586 4.547 -0.733 1.00 0.00 N ATOM 867 CA ASN A 60 -7.642 5.005 0.163 1.00 0.00 C ATOM 868 C ASN A 60 -7.586 4.261 1.494 1.00 0.00 C ATOM 869 O ASN A 60 -8.130 4.721 2.498 1.00 0.00 O ATOM 870 CB ASN A 60 -9.013 4.807 -0.487 1.00 0.00 C ATOM 871 CG ASN A 60 -9.368 5.931 -1.441 1.00 0.00 C ATOM 872 OD1 ASN A 60 -8.584 6.858 -1.645 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.555 5.853 -2.031 1.00 0.00 N ATOM 0 H ASN A 60 -6.901 3.913 -1.467 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.488 6.067 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.023 3.860 -1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.774 4.740 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.849 6.580 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.173 5.066 -1.832 1.00 0.00 H new ATOM 880 N ARG A 61 -6.923 3.109 1.494 1.00 0.00 N ATOM 881 CA ARG A 61 -6.796 2.301 2.701 1.00 0.00 C ATOM 882 C ARG A 61 -5.360 2.318 3.218 1.00 0.00 C ATOM 883 O ARG A 61 -5.015 1.589 4.149 1.00 0.00 O ATOM 884 CB ARG A 61 -7.233 0.861 2.425 1.00 0.00 C ATOM 885 CG ARG A 61 -8.653 0.747 1.895 1.00 0.00 C ATOM 886 CD ARG A 61 -9.230 -0.638 2.143 1.00 0.00 C ATOM 887 NE ARG A 61 -10.690 -0.632 2.133 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.429 -1.726 1.985 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.846 -2.908 1.835 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.753 -1.640 1.987 1.00 0.00 N ATOM 0 H ARG A 61 -6.466 2.714 0.672 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.444 2.730 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.548 0.414 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.150 0.282 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.283 1.496 2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.662 0.960 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.865 -1.325 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.876 -1.012 3.104 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.169 0.261 2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.828 -2.978 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.415 -3.747 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.205 -0.733 2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.319 -2.481 1.873 1.00 0.00 H new ATOM 904 N LEU A 62 -4.527 3.154 2.608 1.00 0.00 N ATOM 905 CA LEU A 62 -3.128 3.266 3.005 1.00 0.00 C ATOM 906 C LEU A 62 -2.897 4.525 3.834 1.00 0.00 C ATOM 907 O LEU A 62 -3.700 5.457 3.801 1.00 0.00 O ATOM 908 CB LEU A 62 -2.226 3.281 1.770 1.00 0.00 C ATOM 909 CG LEU A 62 -1.784 1.915 1.245 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.037 1.145 2.323 1.00 0.00 C ATOM 911 CD2 LEU A 62 -2.984 1.119 0.752 1.00 0.00 C ATOM 0 H LEU A 62 -4.796 3.764 1.836 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.879 2.399 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.749 3.804 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.335 3.864 2.003 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.108 2.072 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.730 0.175 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.155 1.709 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.689 0.998 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.650 0.150 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.685 0.972 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.477 1.665 -0.053 1.00 0.00 H new ATOM 923 N GLN A 63 -1.792 4.546 4.573 1.00 0.00 N ATOM 924 CA GLN A 63 -1.455 5.693 5.409 1.00 0.00 C ATOM 925 C GLN A 63 -0.012 6.130 5.176 1.00 0.00 C ATOM 926 O GLN A 63 0.923 5.515 5.687 1.00 0.00 O ATOM 927 CB GLN A 63 -1.665 5.354 6.885 1.00 0.00 C ATOM 928 CG GLN A 63 -1.159 6.428 7.834 1.00 0.00 C ATOM 929 CD GLN A 63 -1.528 6.152 9.278 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.184 5.107 9.831 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.234 7.091 9.899 1.00 0.00 N ATOM 0 H GLN A 63 -1.116 3.783 4.610 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.114 6.517 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.728 5.194 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.159 4.415 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.075 6.502 7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.569 7.393 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.498 7.942 9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.512 6.961 10.872 1.00 0.00 H new ATOM 940 N ILE A 64 0.159 7.196 4.401 1.00 0.00 N ATOM 941 CA ILE A 64 1.488 7.716 4.101 1.00 0.00 C ATOM 942 C ILE A 64 2.134 8.321 5.343 1.00 0.00 C ATOM 943 O ILE A 64 1.544 9.169 6.013 1.00 0.00 O ATOM 944 CB ILE A 64 1.438 8.782 2.991 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.747 8.221 1.746 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.842 9.261 2.653 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.394 6.963 1.211 1.00 0.00 C ATOM 0 H ILE A 64 -0.605 7.716 3.970 1.00 0.00 H new ATOM 0 HA ILE A 64 2.087 6.873 3.757 1.00 0.00 H new ATOM 0 HB ILE A 64 0.861 9.634 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.296 8.011 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.750 8.982 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.790 10.014 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.302 9.694 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.441 8.418 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.852 6.622 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.429 7.172 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.368 6.187 1.976 1.00 0.00 H new ATOM 959 N LEU A 65 3.351 7.881 5.643 1.00 0.00 N ATOM 960 CA LEU A 65 4.080 8.381 6.804 1.00 0.00 C ATOM 961 C LEU A 65 5.240 9.274 6.375 1.00 0.00 C ATOM 962 O LEU A 65 6.167 8.825 5.701 1.00 0.00 O ATOM 963 CB LEU A 65 4.604 7.214 7.643 1.00 0.00 C ATOM 964 CG LEU A 65 3.548 6.251 8.187 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.207 5.015 8.779 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.679 6.944 9.226 1.00 0.00 C ATOM 0 H LEU A 65 3.854 7.180 5.099 1.00 0.00 H new ATOM 0 HA LEU A 65 3.392 8.974 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.308 6.644 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.164 7.621 8.485 1.00 0.00 H new ATOM 0 HG LEU A 65 2.910 5.937 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.440 4.341 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.785 4.506 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.869 5.310 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.933 6.244 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.303 7.288 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.178 7.798 8.770 1.00 0.00 H new