USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= 0.299 K(o=-0.059,f=-1.5) USER MOD Set 1.2: A 30 GLN : amide:sc= -0.358 K(o=-0.059,f=-1.2) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 MET CE :methyl 176:sc= -2.8 (180deg=-2.81) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0973 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 10:sc= 0.574 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= -0.0846 (180deg=-1.31!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 TYR OH : rot -14:sc= 0.00855 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0359 USER MOD Single : A 36 THR OG1 : rot 120:sc= -0.634 USER MOD Single : A 37 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0148) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.0414 (180deg=-0.894) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -162:sc= 1.02 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 85:sc= 0.969 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00308 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.577 -3.101 -11.509 1.00 0.00 N ATOM 2 CA GLY A 1 -25.701 -3.944 -12.326 1.00 0.00 C ATOM 3 C GLY A 1 -25.889 -3.663 -13.801 1.00 0.00 C ATOM 4 O GLY A 1 -26.927 -3.135 -14.196 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.946 -3.655 -10.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.038 -2.288 -11.147 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.370 -2.760 -12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.661 -3.768 -12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.911 -4.994 -12.124 1.00 0.00 H new ATOM 8 N SER A 2 -24.879 -4.017 -14.603 1.00 0.00 N ATOM 9 CA SER A 2 -24.827 -3.931 -16.061 1.00 0.00 C ATOM 10 C SER A 2 -25.523 -2.686 -16.626 1.00 0.00 C ATOM 11 O SER A 2 -26.403 -2.761 -17.483 1.00 0.00 O ATOM 12 CB SER A 2 -25.321 -5.247 -16.671 1.00 0.00 C ATOM 13 OG SER A 2 -24.546 -6.347 -16.197 1.00 0.00 O ATOM 0 H SER A 2 -24.015 -4.399 -14.219 1.00 0.00 H new ATOM 0 HA SER A 2 -23.787 -3.795 -16.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.370 -5.399 -16.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.260 -5.195 -17.758 1.00 0.00 H new ATOM 0 HG SER A 2 -24.878 -7.178 -16.597 1.00 0.00 H new ATOM 19 N SER A 3 -25.137 -1.520 -16.115 1.00 0.00 N ATOM 20 CA SER A 3 -25.527 -0.206 -16.600 1.00 0.00 C ATOM 21 C SER A 3 -24.432 0.780 -16.198 1.00 0.00 C ATOM 22 O SER A 3 -23.608 0.473 -15.329 1.00 0.00 O ATOM 23 CB SER A 3 -26.864 0.186 -15.962 1.00 0.00 C ATOM 24 OG SER A 3 -27.906 -0.651 -16.418 1.00 0.00 O ATOM 0 H SER A 3 -24.512 -1.467 -15.311 1.00 0.00 H new ATOM 0 HA SER A 3 -25.647 -0.203 -17.683 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.787 0.119 -14.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.095 1.224 -16.201 1.00 0.00 H new ATOM 0 HG SER A 3 -27.527 -1.398 -16.927 1.00 0.00 H new ATOM 30 N GLY A 4 -24.444 1.987 -16.760 1.00 0.00 N ATOM 31 CA GLY A 4 -23.369 2.951 -16.571 1.00 0.00 C ATOM 32 C GLY A 4 -22.446 2.905 -17.780 1.00 0.00 C ATOM 33 O GLY A 4 -22.889 2.530 -18.865 1.00 0.00 O ATOM 0 H GLY A 4 -25.200 2.321 -17.358 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.779 3.953 -16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.812 2.721 -15.663 1.00 0.00 H new ATOM 37 N SER A 5 -21.192 3.322 -17.612 1.00 0.00 N ATOM 38 CA SER A 5 -20.276 3.553 -18.717 1.00 0.00 C ATOM 39 C SER A 5 -18.872 3.079 -18.345 1.00 0.00 C ATOM 40 O SER A 5 -18.362 3.391 -17.264 1.00 0.00 O ATOM 41 CB SER A 5 -20.308 5.045 -19.053 1.00 0.00 C ATOM 42 OG SER A 5 -19.742 5.288 -20.318 1.00 0.00 O ATOM 0 H SER A 5 -20.784 3.509 -16.696 1.00 0.00 H new ATOM 0 HA SER A 5 -20.577 2.985 -19.597 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.337 5.403 -19.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.763 5.605 -18.293 1.00 0.00 H new ATOM 0 HG SER A 5 -19.775 6.248 -20.512 1.00 0.00 H new ATOM 48 N SER A 6 -18.254 2.307 -19.234 1.00 0.00 N ATOM 49 CA SER A 6 -16.884 1.836 -19.133 1.00 0.00 C ATOM 50 C SER A 6 -15.965 2.896 -19.748 1.00 0.00 C ATOM 51 O SER A 6 -15.968 3.097 -20.967 1.00 0.00 O ATOM 52 CB SER A 6 -16.769 0.460 -19.815 1.00 0.00 C ATOM 53 OG SER A 6 -17.635 0.343 -20.933 1.00 0.00 O ATOM 0 H SER A 6 -18.719 1.980 -20.081 1.00 0.00 H new ATOM 0 HA SER A 6 -16.579 1.697 -18.096 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.740 0.300 -20.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.003 -0.322 -19.093 1.00 0.00 H new ATOM 0 HG SER A 6 -17.529 -0.543 -21.337 1.00 0.00 H new ATOM 59 N GLY A 7 -15.199 3.599 -18.914 1.00 0.00 N ATOM 60 CA GLY A 7 -14.237 4.594 -19.358 1.00 0.00 C ATOM 61 C GLY A 7 -13.656 5.315 -18.155 1.00 0.00 C ATOM 62 O GLY A 7 -12.745 4.784 -17.517 1.00 0.00 O ATOM 0 H GLY A 7 -15.233 3.489 -17.901 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.440 4.115 -19.927 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.720 5.309 -20.025 1.00 0.00 H new ATOM 66 N VAL A 8 -14.210 6.481 -17.820 1.00 0.00 N ATOM 67 CA VAL A 8 -13.751 7.402 -16.775 1.00 0.00 C ATOM 68 C VAL A 8 -14.121 6.922 -15.358 1.00 0.00 C ATOM 69 O VAL A 8 -14.776 7.612 -14.570 1.00 0.00 O ATOM 70 CB VAL A 8 -14.244 8.831 -17.106 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.493 9.350 -18.340 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.759 8.927 -17.372 1.00 0.00 C ATOM 0 H VAL A 8 -15.041 6.830 -18.298 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.661 7.422 -16.766 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.041 9.437 -16.223 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.836 10.357 -18.578 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.423 9.371 -18.133 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.686 8.691 -19.187 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.024 9.960 -17.596 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.021 8.293 -18.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.305 8.596 -16.489 1.00 0.00 H new ATOM 82 N ARG A 9 -13.679 5.712 -15.009 1.00 0.00 N ATOM 83 CA ARG A 9 -13.783 5.196 -13.648 1.00 0.00 C ATOM 84 C ARG A 9 -13.013 6.125 -12.711 1.00 0.00 C ATOM 85 O ARG A 9 -11.982 6.684 -13.098 1.00 0.00 O ATOM 86 CB ARG A 9 -13.227 3.763 -13.588 1.00 0.00 C ATOM 87 CG ARG A 9 -14.074 2.734 -14.359 1.00 0.00 C ATOM 88 CD ARG A 9 -15.428 2.496 -13.685 1.00 0.00 C ATOM 89 NE ARG A 9 -16.142 1.312 -14.194 1.00 0.00 N ATOM 90 CZ ARG A 9 -17.254 0.808 -13.634 1.00 0.00 C ATOM 91 NH1 ARG A 9 -17.902 1.478 -12.680 1.00 0.00 N ATOM 92 NH2 ARG A 9 -17.708 -0.379 -14.021 1.00 0.00 N ATOM 0 H ARG A 9 -13.240 5.065 -15.664 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.827 5.162 -13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.214 3.759 -13.990 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.157 3.454 -12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.232 3.084 -15.379 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.530 1.792 -14.426 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.275 2.384 -12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.055 3.376 -13.827 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.769 0.847 -15.022 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.554 2.385 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.745 1.084 -12.263 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.212 -0.905 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.552 -0.765 -13.598 1.00 0.00 H new ATOM 106 N VAL A 10 -13.507 6.290 -11.489 1.00 0.00 N ATOM 107 CA VAL A 10 -12.792 6.995 -10.422 1.00 0.00 C ATOM 108 C VAL A 10 -11.749 6.056 -9.813 1.00 0.00 C ATOM 109 O VAL A 10 -11.919 4.833 -9.852 1.00 0.00 O ATOM 110 CB VAL A 10 -13.774 7.596 -9.402 1.00 0.00 C ATOM 111 CG1 VAL A 10 -14.747 6.535 -8.910 1.00 0.00 C ATOM 112 CG2 VAL A 10 -13.094 8.285 -8.211 1.00 0.00 C ATOM 0 H VAL A 10 -14.421 5.937 -11.205 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.252 7.851 -10.827 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.315 8.378 -9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.434 6.978 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.312 6.140 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.193 5.726 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.854 8.682 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.478 7.562 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.467 9.100 -8.572 1.00 0.00 H new ATOM 122 N LEU A 11 -10.679 6.625 -9.254 1.00 0.00 N ATOM 123 CA LEU A 11 -9.611 5.875 -8.627 1.00 0.00 C ATOM 124 C LEU A 11 -8.871 6.725 -7.599 1.00 0.00 C ATOM 125 O LEU A 11 -7.809 7.284 -7.870 1.00 0.00 O ATOM 126 CB LEU A 11 -8.672 5.277 -9.685 1.00 0.00 C ATOM 127 CG LEU A 11 -8.052 6.236 -10.732 1.00 0.00 C ATOM 128 CD1 LEU A 11 -6.681 5.714 -11.166 1.00 0.00 C ATOM 129 CD2 LEU A 11 -8.922 6.371 -11.984 1.00 0.00 C ATOM 0 H LEU A 11 -10.537 7.635 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.048 5.039 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.855 4.779 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.223 4.506 -10.223 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.971 7.213 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.250 6.392 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.023 5.654 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.792 4.723 -11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.444 7.053 -12.687 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.041 5.394 -12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.901 6.762 -11.706 1.00 0.00 H new ATOM 141 N SER A 12 -9.386 6.749 -6.375 1.00 0.00 N ATOM 142 CA SER A 12 -8.642 7.282 -5.241 1.00 0.00 C ATOM 143 C SER A 12 -7.585 6.239 -4.893 1.00 0.00 C ATOM 144 O SER A 12 -7.895 5.048 -4.841 1.00 0.00 O ATOM 145 CB SER A 12 -9.603 7.498 -4.062 1.00 0.00 C ATOM 146 OG SER A 12 -8.977 8.183 -2.992 1.00 0.00 O ATOM 0 H SER A 12 -10.318 6.405 -6.143 1.00 0.00 H new ATOM 0 HA SER A 12 -8.175 8.240 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.470 8.066 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.970 6.534 -3.711 1.00 0.00 H new ATOM 0 HG SER A 12 -9.619 8.304 -2.261 1.00 0.00 H new ATOM 152 N TYR A 13 -6.338 6.665 -4.677 1.00 0.00 N ATOM 153 CA TYR A 13 -5.333 5.807 -4.064 1.00 0.00 C ATOM 154 C TYR A 13 -5.792 5.579 -2.631 1.00 0.00 C ATOM 155 O TYR A 13 -5.805 6.531 -1.841 1.00 0.00 O ATOM 156 CB TYR A 13 -3.940 6.442 -4.112 1.00 0.00 C ATOM 157 CG TYR A 13 -3.207 6.194 -5.415 1.00 0.00 C ATOM 158 CD1 TYR A 13 -3.449 7.000 -6.545 1.00 0.00 C ATOM 159 CD2 TYR A 13 -2.331 5.097 -5.512 1.00 0.00 C ATOM 160 CE1 TYR A 13 -2.861 6.681 -7.782 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.729 4.778 -6.740 1.00 0.00 C ATOM 162 CZ TYR A 13 -2.016 5.553 -7.884 1.00 0.00 C ATOM 163 OH TYR A 13 -1.524 5.150 -9.084 1.00 0.00 O ATOM 0 H TYR A 13 -6.005 7.598 -4.919 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.242 4.865 -4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.034 7.517 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.343 6.051 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.089 7.866 -6.461 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.121 4.498 -4.638 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.054 7.295 -8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.049 3.942 -6.809 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.961 4.358 -8.957 1.00 0.00 H new ATOM 173 N ASP A 14 -6.255 4.363 -2.342 1.00 0.00 N ATOM 174 CA ASP A 14 -6.839 4.010 -1.059 1.00 0.00 C ATOM 175 C ASP A 14 -5.755 3.984 -0.001 1.00 0.00 C ATOM 176 O ASP A 14 -4.976 3.029 0.077 1.00 0.00 O ATOM 177 CB ASP A 14 -7.619 2.693 -1.111 1.00 0.00 C ATOM 178 CG ASP A 14 -9.023 2.952 -1.637 1.00 0.00 C ATOM 179 OD1 ASP A 14 -9.744 3.762 -1.004 1.00 0.00 O ATOM 180 OD2 ASP A 14 -9.372 2.391 -2.699 1.00 0.00 O ATOM 0 H ASP A 14 -6.232 3.588 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.571 4.773 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.105 1.979 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.668 2.248 -0.117 1.00 0.00 H new ATOM 185 N LYS A 15 -5.663 5.062 0.782 1.00 0.00 N ATOM 186 CA LYS A 15 -4.562 5.250 1.719 1.00 0.00 C ATOM 187 C LYS A 15 -4.905 4.830 3.134 1.00 0.00 C ATOM 188 O LYS A 15 -4.018 4.371 3.846 1.00 0.00 O ATOM 189 CB LYS A 15 -4.020 6.694 1.691 1.00 0.00 C ATOM 190 CG LYS A 15 -5.116 7.775 1.776 1.00 0.00 C ATOM 191 CD LYS A 15 -4.604 9.102 2.364 1.00 0.00 C ATOM 192 CE LYS A 15 -4.460 9.035 3.893 1.00 0.00 C ATOM 193 NZ LYS A 15 -5.753 9.139 4.597 1.00 0.00 N ATOM 0 H LYS A 15 -6.345 5.821 0.782 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.770 4.584 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.327 6.827 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.450 6.840 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.518 7.956 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.938 7.405 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.640 9.348 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.291 9.905 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.978 8.097 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.805 9.840 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.716 8.583 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.944 10.135 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.511 8.772 3.987 1.00 0.00 H new ATOM 207 N GLU A 16 -6.163 4.970 3.535 1.00 0.00 N ATOM 208 CA GLU A 16 -6.606 4.937 4.922 1.00 0.00 C ATOM 209 C GLU A 16 -7.216 3.595 5.298 1.00 0.00 C ATOM 210 O GLU A 16 -7.671 3.407 6.428 1.00 0.00 O ATOM 211 CB GLU A 16 -7.672 6.014 5.108 1.00 0.00 C ATOM 212 CG GLU A 16 -8.816 5.903 4.093 1.00 0.00 C ATOM 213 CD GLU A 16 -10.006 6.746 4.521 1.00 0.00 C ATOM 214 OE1 GLU A 16 -9.848 7.986 4.628 1.00 0.00 O ATOM 215 OE2 GLU A 16 -11.074 6.144 4.778 1.00 0.00 O ATOM 0 H GLU A 16 -6.930 5.115 2.878 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.738 5.105 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.080 5.944 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.208 6.996 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.470 6.228 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.120 4.861 3.995 1.00 0.00 H new ATOM 222 N LYS A 17 -7.303 2.689 4.330 1.00 0.00 N ATOM 223 CA LYS A 17 -7.914 1.386 4.487 1.00 0.00 C ATOM 224 C LYS A 17 -6.883 0.337 4.102 1.00 0.00 C ATOM 225 O LYS A 17 -6.058 0.585 3.221 1.00 0.00 O ATOM 226 CB LYS A 17 -9.226 1.316 3.684 1.00 0.00 C ATOM 227 CG LYS A 17 -9.014 0.863 2.235 1.00 0.00 C ATOM 228 CD LYS A 17 -10.175 1.174 1.281 1.00 0.00 C ATOM 229 CE LYS A 17 -11.499 0.578 1.769 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.341 1.554 2.493 1.00 0.00 N ATOM 0 H LYS A 17 -6.939 2.851 3.391 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.204 1.193 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.912 0.628 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.701 2.297 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.111 1.337 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.837 -0.212 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.280 2.254 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.945 0.781 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.054 0.192 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.291 -0.269 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.222 1.093 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.827 1.905 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.567 2.351 1.864 1.00 0.00 H new ATOM 244 N LEU A 18 -6.892 -0.811 4.765 1.00 0.00 N ATOM 245 CA LEU A 18 -6.007 -1.913 4.518 1.00 0.00 C ATOM 246 C LEU A 18 -6.277 -2.507 3.140 1.00 0.00 C ATOM 247 O LEU A 18 -7.180 -3.330 3.000 1.00 0.00 O ATOM 248 CB LEU A 18 -6.221 -2.909 5.653 1.00 0.00 C ATOM 249 CG LEU A 18 -5.805 -2.434 7.058 1.00 0.00 C ATOM 250 CD1 LEU A 18 -5.697 -0.943 7.391 1.00 0.00 C ATOM 251 CD2 LEU A 18 -6.654 -3.137 8.113 1.00 0.00 C ATOM 0 H LEU A 18 -7.551 -0.996 5.522 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.961 -1.606 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.277 -3.177 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.667 -3.819 5.420 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.753 -2.719 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.391 -0.824 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.958 -0.477 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.665 -0.466 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.356 -2.798 9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.706 -2.902 7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.508 -4.215 8.039 1.00 0.00 H new ATOM 263 N ASN A 19 -5.496 -2.085 2.145 1.00 0.00 N ATOM 264 CA ASN A 19 -5.743 -2.381 0.728 1.00 0.00 C ATOM 265 C ASN A 19 -4.494 -2.784 -0.059 1.00 0.00 C ATOM 266 O ASN A 19 -4.589 -3.016 -1.263 1.00 0.00 O ATOM 267 CB ASN A 19 -6.424 -1.175 0.055 1.00 0.00 C ATOM 268 CG ASN A 19 -7.798 -1.564 -0.457 1.00 0.00 C ATOM 269 OD1 ASN A 19 -8.626 -2.013 0.329 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.099 -1.369 -1.725 1.00 0.00 N ATOM 0 H ASN A 19 -4.661 -1.520 2.300 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.398 -3.252 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.513 -0.355 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.809 -0.815 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.033 -1.592 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.398 -0.995 -2.364 1.00 0.00 H new ATOM 277 N TRP A 20 -3.331 -2.868 0.593 1.00 0.00 N ATOM 278 CA TRP A 20 -2.051 -3.073 -0.068 1.00 0.00 C ATOM 279 C TRP A 20 -1.295 -4.219 0.593 1.00 0.00 C ATOM 280 O TRP A 20 -1.137 -4.253 1.813 1.00 0.00 O ATOM 281 CB TRP A 20 -1.266 -1.762 -0.053 1.00 0.00 C ATOM 282 CG TRP A 20 -1.945 -0.658 -0.800 1.00 0.00 C ATOM 283 CD1 TRP A 20 -2.939 0.128 -0.329 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.730 -0.246 -2.179 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.363 0.985 -1.325 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.630 0.817 -2.485 1.00 0.00 C ATOM 287 CE3 TRP A 20 -0.849 -0.669 -3.195 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.632 1.451 -3.737 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.839 -0.038 -4.452 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.720 1.025 -4.721 1.00 0.00 C ATOM 0 H TRP A 20 -3.257 -2.794 1.608 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.202 -3.359 -1.109 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.111 -1.451 0.980 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.280 -1.932 -0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.340 0.091 0.673 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.122 1.658 -1.218 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.172 -1.489 -3.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.324 2.255 -3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.151 -0.372 -5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.697 1.515 -5.683 1.00 0.00 H new ATOM 301 N LEU A 21 -0.860 -5.173 -0.217 1.00 0.00 N ATOM 302 CA LEU A 21 -0.197 -6.413 0.153 1.00 0.00 C ATOM 303 C LEU A 21 1.302 -6.283 -0.158 1.00 0.00 C ATOM 304 O LEU A 21 1.681 -5.461 -0.999 1.00 0.00 O ATOM 305 CB LEU A 21 -0.827 -7.528 -0.699 1.00 0.00 C ATOM 306 CG LEU A 21 -2.343 -7.785 -0.497 1.00 0.00 C ATOM 307 CD1 LEU A 21 -2.800 -8.721 -1.612 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.619 -8.418 0.877 1.00 0.00 C ATOM 0 H LEU A 21 -0.970 -5.093 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.313 -6.636 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.659 -7.290 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.294 -8.456 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.890 -6.843 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.865 -8.925 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.618 -8.251 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.243 -9.656 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.690 -8.587 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.091 -9.369 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.272 -7.747 1.663 1.00 0.00 H new ATOM 320 N TYR A 22 2.160 -7.091 0.483 1.00 0.00 N ATOM 321 CA TYR A 22 3.592 -7.161 0.170 1.00 0.00 C ATOM 322 C TYR A 22 4.107 -8.578 0.451 1.00 0.00 C ATOM 323 O TYR A 22 3.411 -9.334 1.131 1.00 0.00 O ATOM 324 CB TYR A 22 4.367 -6.090 0.959 1.00 0.00 C ATOM 325 CG TYR A 22 4.616 -6.355 2.432 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.698 -7.164 2.822 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.843 -5.710 3.416 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.966 -7.380 4.182 1.00 0.00 C ATOM 329 CE2 TYR A 22 4.147 -5.885 4.782 1.00 0.00 C ATOM 330 CZ TYR A 22 5.202 -6.737 5.176 1.00 0.00 C ATOM 331 OH TYR A 22 5.480 -6.934 6.494 1.00 0.00 O ATOM 0 H TYR A 22 1.877 -7.717 1.237 1.00 0.00 H new ATOM 0 HA TYR A 22 3.751 -6.951 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.333 -5.947 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.824 -5.149 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.326 -7.621 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.016 -5.080 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.766 -8.046 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.569 -5.364 5.531 1.00 0.00 H new ATOM 0 HH TYR A 22 6.078 -7.705 6.591 1.00 0.00 H new ATOM 341 N LYS A 23 5.319 -8.945 0.002 1.00 0.00 N ATOM 342 CA LYS A 23 6.002 -10.206 0.348 1.00 0.00 C ATOM 343 C LYS A 23 7.189 -9.954 1.272 1.00 0.00 C ATOM 344 O LYS A 23 8.160 -9.307 0.874 1.00 0.00 O ATOM 345 CB LYS A 23 6.496 -10.973 -0.893 1.00 0.00 C ATOM 346 CG LYS A 23 6.122 -12.452 -0.791 1.00 0.00 C ATOM 347 CD LYS A 23 6.891 -13.340 -1.776 1.00 0.00 C ATOM 348 CE LYS A 23 6.124 -14.656 -1.879 1.00 0.00 C ATOM 349 NZ LYS A 23 6.484 -15.458 -3.068 1.00 0.00 N ATOM 0 H LYS A 23 5.866 -8.359 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 23 5.257 -10.818 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.057 -10.542 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.577 -10.871 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.312 -12.799 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.053 -12.563 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.966 -12.859 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.909 -13.513 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.310 -15.247 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.055 -14.443 -1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.927 -16.336 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.281 -14.912 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.497 -15.691 -3.036 1.00 0.00 H new ATOM 363 N ASP A 24 7.123 -10.439 2.503 1.00 0.00 N ATOM 364 CA ASP A 24 8.242 -10.396 3.451 1.00 0.00 C ATOM 365 C ASP A 24 9.257 -11.484 3.058 1.00 0.00 C ATOM 366 O ASP A 24 8.914 -12.403 2.305 1.00 0.00 O ATOM 367 CB ASP A 24 7.724 -10.614 4.889 1.00 0.00 C ATOM 368 CG ASP A 24 8.089 -9.535 5.917 1.00 0.00 C ATOM 369 OD1 ASP A 24 8.930 -8.659 5.635 1.00 0.00 O ATOM 370 OD2 ASP A 24 7.468 -9.557 7.001 1.00 0.00 O ATOM 0 H ASP A 24 6.285 -10.880 2.882 1.00 0.00 H new ATOM 0 HA ASP A 24 8.729 -9.421 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.638 -10.697 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.105 -11.570 5.248 1.00 0.00 H new ATOM 375 N PRO A 25 10.494 -11.478 3.580 1.00 0.00 N ATOM 376 CA PRO A 25 11.543 -12.438 3.233 1.00 0.00 C ATOM 377 C PRO A 25 11.302 -13.814 3.872 1.00 0.00 C ATOM 378 O PRO A 25 12.015 -14.780 3.593 1.00 0.00 O ATOM 379 CB PRO A 25 12.836 -11.789 3.720 1.00 0.00 C ATOM 380 CG PRO A 25 12.401 -10.951 4.920 1.00 0.00 C ATOM 381 CD PRO A 25 10.930 -10.630 4.667 1.00 0.00 C ATOM 0 HA PRO A 25 11.572 -12.642 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.576 -12.538 4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.289 -11.171 2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.530 -11.501 5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.995 -10.041 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.336 -10.814 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.803 -9.578 4.411 1.00 0.00 H new ATOM 389 N GLN A 26 10.259 -13.921 4.698 1.00 0.00 N ATOM 390 CA GLN A 26 9.677 -15.178 5.133 1.00 0.00 C ATOM 391 C GLN A 26 9.060 -15.928 3.945 1.00 0.00 C ATOM 392 O GLN A 26 8.912 -17.147 4.004 1.00 0.00 O ATOM 393 CB GLN A 26 8.575 -14.879 6.157 1.00 0.00 C ATOM 394 CG GLN A 26 9.054 -14.117 7.407 1.00 0.00 C ATOM 395 CD GLN A 26 8.179 -12.911 7.734 1.00 0.00 C ATOM 396 OE1 GLN A 26 6.948 -12.989 7.732 1.00 0.00 O ATOM 397 NE2 GLN A 26 8.797 -11.781 8.009 1.00 0.00 N ATOM 0 H GLN A 26 9.787 -13.107 5.091 1.00 0.00 H new ATOM 0 HA GLN A 26 10.458 -15.798 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.792 -14.297 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.124 -15.820 6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.063 -14.796 8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.081 -13.785 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.816 -11.743 8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.256 -10.944 8.227 1.00 0.00 H new ATOM 406 N GLY A 27 8.691 -15.222 2.870 1.00 0.00 N ATOM 407 CA GLY A 27 7.921 -15.776 1.771 1.00 0.00 C ATOM 408 C GLY A 27 6.451 -15.947 2.161 1.00 0.00 C ATOM 409 O GLY A 27 5.796 -16.864 1.665 1.00 0.00 O ATOM 0 H GLY A 27 8.926 -14.237 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.997 -15.121 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.338 -16.740 1.480 1.00 0.00 H new ATOM 413 N LEU A 28 5.929 -15.093 3.046 1.00 0.00 N ATOM 414 CA LEU A 28 4.500 -14.955 3.330 1.00 0.00 C ATOM 415 C LEU A 28 4.004 -13.684 2.640 1.00 0.00 C ATOM 416 O LEU A 28 4.817 -12.850 2.232 1.00 0.00 O ATOM 417 CB LEU A 28 4.239 -14.888 4.853 1.00 0.00 C ATOM 418 CG LEU A 28 4.081 -16.232 5.594 1.00 0.00 C ATOM 419 CD1 LEU A 28 3.091 -17.188 4.923 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.419 -16.942 5.793 1.00 0.00 C ATOM 0 H LEU A 28 6.507 -14.461 3.600 1.00 0.00 H new ATOM 0 HA LEU A 28 3.962 -15.824 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.061 -14.341 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.335 -14.302 5.017 1.00 0.00 H new ATOM 0 HG LEU A 28 3.671 -15.963 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.031 -18.112 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.107 -16.722 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.430 -17.412 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.257 -17.883 6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.873 -17.142 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.083 -16.308 6.380 1.00 0.00 H new ATOM 432 N VAL A 29 2.685 -13.522 2.541 1.00 0.00 N ATOM 433 CA VAL A 29 2.030 -12.326 2.026 1.00 0.00 C ATOM 434 C VAL A 29 1.219 -11.764 3.182 1.00 0.00 C ATOM 435 O VAL A 29 0.103 -12.210 3.458 1.00 0.00 O ATOM 436 CB VAL A 29 1.211 -12.631 0.755 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.395 -11.413 0.294 1.00 0.00 C ATOM 438 CG2 VAL A 29 2.169 -13.014 -0.380 1.00 0.00 C ATOM 0 H VAL A 29 2.024 -14.244 2.827 1.00 0.00 H new ATOM 0 HA VAL A 29 2.744 -11.574 1.690 1.00 0.00 H new ATOM 0 HB VAL A 29 0.525 -13.444 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.167 -11.670 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.297 -11.119 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.069 -10.585 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.596 -13.231 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.852 -12.187 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.740 -13.896 -0.092 1.00 0.00 H new ATOM 448 N GLN A 30 1.832 -10.852 3.925 1.00 0.00 N ATOM 449 CA GLN A 30 1.218 -10.213 5.077 1.00 0.00 C ATOM 450 C GLN A 30 0.067 -9.309 4.612 1.00 0.00 C ATOM 451 O GLN A 30 -0.157 -9.110 3.410 1.00 0.00 O ATOM 452 CB GLN A 30 2.285 -9.424 5.877 1.00 0.00 C ATOM 453 CG GLN A 30 3.434 -10.231 6.524 1.00 0.00 C ATOM 454 CD GLN A 30 2.992 -11.475 7.304 1.00 0.00 C ATOM 455 OE1 GLN A 30 1.857 -11.572 7.771 1.00 0.00 O ATOM 456 NE2 GLN A 30 3.868 -12.456 7.467 1.00 0.00 N ATOM 0 H GLN A 30 2.783 -10.532 3.740 1.00 0.00 H new ATOM 0 HA GLN A 30 0.802 -10.970 5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.728 -8.685 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.774 -8.874 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.128 -10.539 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.985 -9.575 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.807 -12.371 7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.603 -13.296 7.981 1.00 0.00 H new ATOM 465 N GLY A 31 -0.645 -8.708 5.562 1.00 0.00 N ATOM 466 CA GLY A 31 -1.549 -7.615 5.250 1.00 0.00 C ATOM 467 C GLY A 31 -2.958 -8.089 4.914 1.00 0.00 C ATOM 468 O GLY A 31 -3.339 -9.204 5.280 1.00 0.00 O ATOM 0 H GLY A 31 -0.611 -8.961 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.593 -6.933 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.151 -7.050 4.408 1.00 0.00 H new ATOM 472 N PRO A 32 -3.757 -7.253 4.233 1.00 0.00 N ATOM 473 CA PRO A 32 -3.351 -5.994 3.615 1.00 0.00 C ATOM 474 C PRO A 32 -3.111 -4.879 4.633 1.00 0.00 C ATOM 475 O PRO A 32 -3.446 -5.007 5.810 1.00 0.00 O ATOM 476 CB PRO A 32 -4.490 -5.661 2.656 1.00 0.00 C ATOM 477 CG PRO A 32 -5.721 -6.269 3.326 1.00 0.00 C ATOM 478 CD PRO A 32 -5.153 -7.535 3.950 1.00 0.00 C ATOM 0 HA PRO A 32 -2.392 -6.088 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.598 -4.585 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.320 -6.090 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.148 -5.602 4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.510 -6.488 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.691 -7.795 4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.250 -8.382 3.270 1.00 0.00 H new ATOM 486 N PHE A 33 -2.550 -3.769 4.161 1.00 0.00 N ATOM 487 CA PHE A 33 -2.158 -2.617 4.951 1.00 0.00 C ATOM 488 C PHE A 33 -2.603 -1.342 4.260 1.00 0.00 C ATOM 489 O PHE A 33 -2.762 -1.297 3.038 1.00 0.00 O ATOM 490 CB PHE A 33 -0.638 -2.604 5.102 1.00 0.00 C ATOM 491 CG PHE A 33 -0.116 -3.788 5.875 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.338 -3.848 7.260 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.572 -4.829 5.226 1.00 0.00 C ATOM 494 CE1 PHE A 33 0.166 -4.927 7.998 1.00 0.00 C ATOM 495 CE2 PHE A 33 1.058 -5.913 5.971 1.00 0.00 C ATOM 496 CZ PHE A 33 0.865 -5.963 7.361 1.00 0.00 C ATOM 0 H PHE A 33 -2.349 -3.648 3.168 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.628 -2.677 5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.180 -2.591 4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.336 -1.686 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.895 -3.066 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.725 -4.794 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.015 -4.961 9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.584 -6.714 5.473 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.252 -6.792 7.935 1.00 0.00 H new ATOM 506 N SER A 34 -2.849 -0.305 5.052 1.00 0.00 N ATOM 507 CA SER A 34 -3.106 1.039 4.570 1.00 0.00 C ATOM 508 C SER A 34 -1.789 1.664 4.146 1.00 0.00 C ATOM 509 O SER A 34 -0.769 1.474 4.814 1.00 0.00 O ATOM 510 CB SER A 34 -3.780 1.855 5.678 1.00 0.00 C ATOM 511 OG SER A 34 -3.382 1.397 6.951 1.00 0.00 O ATOM 0 H SER A 34 -2.875 -0.381 6.069 1.00 0.00 H new ATOM 0 HA SER A 34 -3.776 1.019 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.521 2.908 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.863 1.781 5.582 1.00 0.00 H new ATOM 0 HG SER A 34 -3.822 1.932 7.644 1.00 0.00 H new ATOM 517 N LEU A 35 -1.823 2.477 3.094 1.00 0.00 N ATOM 518 CA LEU A 35 -0.649 3.186 2.614 1.00 0.00 C ATOM 519 C LEU A 35 -0.053 4.069 3.690 1.00 0.00 C ATOM 520 O LEU A 35 1.166 4.203 3.719 1.00 0.00 O ATOM 521 CB LEU A 35 -0.985 4.054 1.402 1.00 0.00 C ATOM 522 CG LEU A 35 -1.276 3.228 0.148 1.00 0.00 C ATOM 523 CD1 LEU A 35 -1.822 4.154 -0.936 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.003 2.518 -0.341 1.00 0.00 C ATOM 0 H LEU A 35 -2.668 2.660 2.552 1.00 0.00 H new ATOM 0 HA LEU A 35 0.078 2.425 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.851 4.674 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.153 4.730 1.202 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.015 2.462 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.033 3.576 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.739 4.625 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.084 4.923 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.231 1.936 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.760 3.260 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.366 1.854 0.441 1.00 0.00 H new ATOM 536 N THR A 36 -0.864 4.646 4.572 1.00 0.00 N ATOM 537 CA THR A 36 -0.369 5.530 5.619 1.00 0.00 C ATOM 538 C THR A 36 0.402 4.729 6.679 1.00 0.00 C ATOM 539 O THR A 36 1.415 5.205 7.189 1.00 0.00 O ATOM 540 CB THR A 36 -1.559 6.305 6.203 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.390 6.742 5.140 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.123 7.532 7.003 1.00 0.00 C ATOM 0 H THR A 36 -1.875 4.515 4.581 1.00 0.00 H new ATOM 0 HA THR A 36 0.340 6.251 5.212 1.00 0.00 H new ATOM 0 HB THR A 36 -2.087 5.631 6.877 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.286 6.359 5.247 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.003 8.043 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.488 7.219 7.832 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.567 8.210 6.355 1.00 0.00 H new ATOM 550 N GLN A 37 -0.012 3.485 6.960 1.00 0.00 N ATOM 551 CA GLN A 37 0.740 2.577 7.825 1.00 0.00 C ATOM 552 C GLN A 37 2.054 2.199 7.138 1.00 0.00 C ATOM 553 O GLN A 37 3.120 2.350 7.727 1.00 0.00 O ATOM 554 CB GLN A 37 -0.101 1.338 8.197 1.00 0.00 C ATOM 555 CG GLN A 37 -1.170 1.707 9.241 1.00 0.00 C ATOM 556 CD GLN A 37 -2.117 0.562 9.611 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.807 -0.617 9.488 1.00 0.00 O ATOM 558 NE2 GLN A 37 -3.309 0.893 10.080 1.00 0.00 N ATOM 0 H GLN A 37 -0.876 3.085 6.593 1.00 0.00 H new ATOM 0 HA GLN A 37 0.975 3.080 8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.579 0.934 7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.547 0.556 8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.672 2.056 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.760 2.541 8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.563 1.876 10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.974 0.165 10.341 1.00 0.00 H new ATOM 567 N LEU A 38 1.994 1.787 5.867 1.00 0.00 N ATOM 568 CA LEU A 38 3.185 1.439 5.095 1.00 0.00 C ATOM 569 C LEU A 38 4.161 2.615 5.019 1.00 0.00 C ATOM 570 O LEU A 38 5.360 2.406 5.154 1.00 0.00 O ATOM 571 CB LEU A 38 2.804 0.966 3.679 1.00 0.00 C ATOM 572 CG LEU A 38 2.038 -0.371 3.624 1.00 0.00 C ATOM 573 CD1 LEU A 38 1.442 -0.563 2.227 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.930 -1.571 3.953 1.00 0.00 C ATOM 0 H LEU A 38 1.121 1.687 5.349 1.00 0.00 H new ATOM 0 HA LEU A 38 3.683 0.618 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.195 1.736 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.714 0.871 3.087 1.00 0.00 H new ATOM 0 HG LEU A 38 1.252 -0.323 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.901 -1.508 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.757 0.256 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.243 -0.574 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.342 -2.487 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.749 -1.624 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.336 -1.458 4.958 1.00 0.00 H new ATOM 586 N LYS A 39 3.669 3.843 4.828 1.00 0.00 N ATOM 587 CA LYS A 39 4.481 5.055 4.846 1.00 0.00 C ATOM 588 C LYS A 39 5.155 5.206 6.202 1.00 0.00 C ATOM 589 O LYS A 39 6.362 5.401 6.230 1.00 0.00 O ATOM 590 CB LYS A 39 3.640 6.285 4.480 1.00 0.00 C ATOM 591 CG LYS A 39 4.490 7.569 4.521 1.00 0.00 C ATOM 592 CD LYS A 39 4.088 8.552 3.419 1.00 0.00 C ATOM 593 CE LYS A 39 2.676 9.116 3.621 1.00 0.00 C ATOM 594 NZ LYS A 39 2.125 9.652 2.359 1.00 0.00 N ATOM 0 H LYS A 39 2.680 4.021 4.654 1.00 0.00 H new ATOM 0 HA LYS A 39 5.262 4.972 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.217 6.157 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.803 6.377 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.378 8.048 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.543 7.311 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.803 9.374 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.141 8.051 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.021 8.333 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.702 9.905 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.169 10.026 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.738 10.415 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.079 8.892 1.650 1.00 0.00 H new ATOM 608 N ALA A 40 4.415 5.093 7.308 1.00 0.00 N ATOM 609 CA ALA A 40 5.001 5.224 8.634 1.00 0.00 C ATOM 610 C ALA A 40 6.142 4.220 8.844 1.00 0.00 C ATOM 611 O ALA A 40 7.162 4.578 9.430 1.00 0.00 O ATOM 612 CB ALA A 40 3.924 5.050 9.714 1.00 0.00 C ATOM 0 H ALA A 40 3.411 4.911 7.306 1.00 0.00 H new ATOM 0 HA ALA A 40 5.422 6.226 8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.378 5.151 10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.156 5.813 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.472 4.062 9.622 1.00 0.00 H new ATOM 618 N TRP A 41 5.985 2.978 8.384 1.00 0.00 N ATOM 619 CA TRP A 41 7.018 1.958 8.479 1.00 0.00 C ATOM 620 C TRP A 41 8.199 2.248 7.546 1.00 0.00 C ATOM 621 O TRP A 41 9.336 2.076 7.972 1.00 0.00 O ATOM 622 CB TRP A 41 6.379 0.595 8.220 1.00 0.00 C ATOM 623 CG TRP A 41 5.413 0.128 9.274 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.535 0.289 10.615 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.161 -0.594 9.084 1.00 0.00 C ATOM 626 NE1 TRP A 41 4.462 -0.299 11.254 1.00 0.00 N ATOM 627 CE2 TRP A 41 3.567 -0.836 10.355 1.00 0.00 C ATOM 628 CE3 TRP A 41 3.472 -1.071 7.953 1.00 0.00 C ATOM 629 CZ2 TRP A 41 2.339 -1.500 10.491 1.00 0.00 C ATOM 630 CZ3 TRP A 41 2.229 -1.718 8.068 1.00 0.00 C ATOM 631 CH2 TRP A 41 1.661 -1.929 9.339 1.00 0.00 C ATOM 0 H TRP A 41 5.130 2.654 7.933 1.00 0.00 H new ATOM 0 HA TRP A 41 7.444 1.960 9.482 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.858 0.632 7.263 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.172 -0.147 8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.349 0.800 11.108 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.346 -0.332 12.267 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.908 -0.937 6.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.920 -1.679 11.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.710 -2.053 7.182 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.704 -2.421 9.428 1.00 0.00 H new ATOM 642 N SER A 42 7.962 2.752 6.331 1.00 0.00 N ATOM 643 CA SER A 42 9.002 3.260 5.438 1.00 0.00 C ATOM 644 C SER A 42 9.803 4.370 6.135 1.00 0.00 C ATOM 645 O SER A 42 11.031 4.334 6.146 1.00 0.00 O ATOM 646 CB SER A 42 8.357 3.777 4.138 1.00 0.00 C ATOM 647 OG SER A 42 8.743 3.017 3.009 1.00 0.00 O ATOM 0 H SER A 42 7.024 2.819 5.936 1.00 0.00 H new ATOM 0 HA SER A 42 9.692 2.454 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.272 3.750 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.638 4.819 3.985 1.00 0.00 H new ATOM 0 HG SER A 42 8.310 3.378 2.208 1.00 0.00 H new ATOM 653 N ASP A 43 9.118 5.327 6.765 1.00 0.00 N ATOM 654 CA ASP A 43 9.693 6.444 7.518 1.00 0.00 C ATOM 655 C ASP A 43 10.428 5.964 8.775 1.00 0.00 C ATOM 656 O ASP A 43 11.212 6.714 9.366 1.00 0.00 O ATOM 657 CB ASP A 43 8.577 7.416 7.947 1.00 0.00 C ATOM 658 CG ASP A 43 8.353 8.587 6.997 1.00 0.00 C ATOM 659 OD1 ASP A 43 8.521 8.445 5.768 1.00 0.00 O ATOM 660 OD2 ASP A 43 7.939 9.655 7.516 1.00 0.00 O ATOM 0 H ASP A 43 8.098 5.345 6.764 1.00 0.00 H new ATOM 0 HA ASP A 43 10.408 6.943 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.645 6.859 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.815 7.808 8.936 1.00 0.00 H new ATOM 665 N ALA A 44 10.170 4.738 9.223 1.00 0.00 N ATOM 666 CA ALA A 44 10.850 4.055 10.316 1.00 0.00 C ATOM 667 C ALA A 44 11.835 3.003 9.778 1.00 0.00 C ATOM 668 O ALA A 44 12.357 2.193 10.542 1.00 0.00 O ATOM 669 CB ALA A 44 9.806 3.490 11.276 1.00 0.00 C ATOM 0 H ALA A 44 9.438 4.163 8.807 1.00 0.00 H new ATOM 0 HA ALA A 44 11.462 4.758 10.881 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.307 2.977 12.097 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.199 4.303 11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.166 2.786 10.744 1.00 0.00 H new ATOM 675 N GLU A 45 12.108 3.037 8.471 1.00 0.00 N ATOM 676 CA GLU A 45 13.145 2.296 7.767 1.00 0.00 C ATOM 677 C GLU A 45 12.969 0.768 7.875 1.00 0.00 C ATOM 678 O GLU A 45 13.921 0.014 7.676 1.00 0.00 O ATOM 679 CB GLU A 45 14.532 2.857 8.158 1.00 0.00 C ATOM 680 CG GLU A 45 14.633 4.367 7.854 1.00 0.00 C ATOM 681 CD GLU A 45 16.005 4.949 8.198 1.00 0.00 C ATOM 682 OE1 GLU A 45 16.192 5.409 9.347 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.873 5.063 7.300 1.00 0.00 O ATOM 0 H GLU A 45 11.569 3.626 7.837 1.00 0.00 H new ATOM 0 HA GLU A 45 13.051 2.455 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.710 2.685 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.310 2.322 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.426 4.535 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.866 4.899 8.417 1.00 0.00 H new ATOM 690 N TYR A 46 11.746 0.294 8.133 1.00 0.00 N ATOM 691 CA TYR A 46 11.386 -1.126 8.231 1.00 0.00 C ATOM 692 C TYR A 46 11.296 -1.848 6.876 1.00 0.00 C ATOM 693 O TYR A 46 10.981 -3.040 6.846 1.00 0.00 O ATOM 694 CB TYR A 46 10.033 -1.251 8.949 1.00 0.00 C ATOM 695 CG TYR A 46 10.123 -1.170 10.455 1.00 0.00 C ATOM 696 CD1 TYR A 46 10.604 -2.271 11.186 1.00 0.00 C ATOM 697 CD2 TYR A 46 9.689 -0.018 11.125 1.00 0.00 C ATOM 698 CE1 TYR A 46 10.654 -2.226 12.588 1.00 0.00 C ATOM 699 CE2 TYR A 46 9.783 0.056 12.527 1.00 0.00 C ATOM 700 CZ TYR A 46 10.263 -1.050 13.265 1.00 0.00 C ATOM 701 OH TYR A 46 10.310 -0.987 14.627 1.00 0.00 O ATOM 0 H TYR A 46 10.949 0.912 8.285 1.00 0.00 H new ATOM 0 HA TYR A 46 12.190 -1.608 8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.371 -0.462 8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.574 -2.201 8.674 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.937 -3.157 10.665 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.283 0.812 10.566 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.990 -3.087 13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.488 0.959 13.040 1.00 0.00 H new ATOM 0 HH TYR A 46 10.007 -0.104 14.924 1.00 0.00 H new ATOM 711 N PHE A 47 11.522 -1.172 5.750 1.00 0.00 N ATOM 712 CA PHE A 47 11.228 -1.683 4.429 1.00 0.00 C ATOM 713 C PHE A 47 12.415 -1.410 3.527 1.00 0.00 C ATOM 714 O PHE A 47 13.224 -0.516 3.774 1.00 0.00 O ATOM 715 CB PHE A 47 9.937 -1.052 3.882 1.00 0.00 C ATOM 716 CG PHE A 47 8.633 -1.484 4.538 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.455 -2.787 5.055 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.556 -0.579 4.584 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.233 -3.170 5.631 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.327 -0.975 5.131 1.00 0.00 C ATOM 721 CZ PHE A 47 6.162 -2.265 5.666 1.00 0.00 C ATOM 0 H PHE A 47 11.923 -0.234 5.740 1.00 0.00 H new ATOM 0 HA PHE A 47 11.061 -2.759 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.022 0.031 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.873 -1.277 2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.268 -3.496 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.676 0.422 4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.118 -4.160 6.047 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.499 -0.282 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.217 -2.557 6.101 1.00 0.00 H new ATOM 731 N THR A 48 12.509 -2.229 2.490 1.00 0.00 N ATOM 732 CA THR A 48 13.709 -2.409 1.698 1.00 0.00 C ATOM 733 C THR A 48 13.829 -1.249 0.716 1.00 0.00 C ATOM 734 O THR A 48 12.809 -0.739 0.252 1.00 0.00 O ATOM 735 CB THR A 48 13.580 -3.768 0.993 1.00 0.00 C ATOM 736 OG1 THR A 48 12.377 -3.832 0.240 1.00 0.00 O ATOM 737 CG2 THR A 48 13.524 -4.903 2.018 1.00 0.00 C ATOM 0 H THR A 48 11.728 -2.802 2.170 1.00 0.00 H new ATOM 0 HA THR A 48 14.616 -2.410 2.303 1.00 0.00 H new ATOM 0 HB THR A 48 14.448 -3.874 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.314 -4.704 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.433 -5.857 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.436 -4.900 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.663 -4.761 2.671 1.00 0.00 H new ATOM 745 N LYS A 49 15.046 -0.875 0.318 1.00 0.00 N ATOM 746 CA LYS A 49 15.258 0.344 -0.460 1.00 0.00 C ATOM 747 C LYS A 49 14.636 0.335 -1.866 1.00 0.00 C ATOM 748 O LYS A 49 14.717 1.356 -2.541 1.00 0.00 O ATOM 749 CB LYS A 49 16.752 0.700 -0.457 1.00 0.00 C ATOM 750 CG LYS A 49 16.967 2.217 -0.352 1.00 0.00 C ATOM 751 CD LYS A 49 18.442 2.538 -0.094 1.00 0.00 C ATOM 752 CE LYS A 49 18.679 4.034 0.122 1.00 0.00 C ATOM 753 NZ LYS A 49 18.296 4.861 -1.035 1.00 0.00 N ATOM 0 H LYS A 49 15.898 -1.398 0.522 1.00 0.00 H new ATOM 0 HA LYS A 49 14.704 1.140 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.244 0.203 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.218 0.327 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.640 2.700 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.355 2.621 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.784 1.988 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.040 2.195 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.115 4.361 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.733 4.199 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.529 5.856 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.815 4.541 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.274 4.771 -1.203 1.00 0.00 H new ATOM 767 N GLN A 50 14.026 -0.764 -2.330 1.00 0.00 N ATOM 768 CA GLN A 50 13.018 -0.818 -3.382 1.00 0.00 C ATOM 769 C GLN A 50 11.952 -1.846 -2.968 1.00 0.00 C ATOM 770 O GLN A 50 11.849 -2.943 -3.524 1.00 0.00 O ATOM 771 CB GLN A 50 13.673 -1.143 -4.734 1.00 0.00 C ATOM 772 CG GLN A 50 14.026 0.120 -5.527 1.00 0.00 C ATOM 773 CD GLN A 50 15.063 -0.167 -6.594 1.00 0.00 C ATOM 774 OE1 GLN A 50 14.879 -1.048 -7.430 1.00 0.00 O ATOM 775 NE2 GLN A 50 16.175 0.544 -6.580 1.00 0.00 N ATOM 0 H GLN A 50 14.239 -1.689 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 50 12.531 0.149 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.577 -1.728 -4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.997 -1.762 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.126 0.523 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.403 0.884 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.307 1.271 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.902 0.367 -7.273 1.00 0.00 H new ATOM 784 N PHE A 51 11.153 -1.507 -1.959 1.00 0.00 N ATOM 785 CA PHE A 51 10.006 -2.282 -1.497 1.00 0.00 C ATOM 786 C PHE A 51 8.861 -2.137 -2.498 1.00 0.00 C ATOM 787 O PHE A 51 8.401 -1.015 -2.717 1.00 0.00 O ATOM 788 CB PHE A 51 9.589 -1.717 -0.135 1.00 0.00 C ATOM 789 CG PHE A 51 8.565 -2.521 0.631 1.00 0.00 C ATOM 790 CD1 PHE A 51 8.953 -3.666 1.352 1.00 0.00 C ATOM 791 CD2 PHE A 51 7.247 -2.048 0.726 1.00 0.00 C ATOM 792 CE1 PHE A 51 8.034 -4.299 2.206 1.00 0.00 C ATOM 793 CE2 PHE A 51 6.333 -2.673 1.588 1.00 0.00 C ATOM 794 CZ PHE A 51 6.736 -3.784 2.343 1.00 0.00 C ATOM 0 H PHE A 51 11.293 -0.652 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 51 10.256 -3.339 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.481 -1.619 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.194 -0.713 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.954 -4.057 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.935 -1.200 0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.326 -5.181 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.323 -2.300 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.044 -4.245 3.033 1.00 0.00 H new ATOM 804 N ARG A 52 8.402 -3.210 -3.151 1.00 0.00 N ATOM 805 CA ARG A 52 7.188 -3.150 -3.961 1.00 0.00 C ATOM 806 C ARG A 52 5.974 -3.607 -3.159 1.00 0.00 C ATOM 807 O ARG A 52 6.115 -4.420 -2.242 1.00 0.00 O ATOM 808 CB ARG A 52 7.354 -4.013 -5.212 1.00 0.00 C ATOM 809 CG ARG A 52 8.393 -3.458 -6.187 1.00 0.00 C ATOM 810 CD ARG A 52 9.844 -3.729 -5.786 1.00 0.00 C ATOM 811 NE ARG A 52 10.718 -3.946 -6.949 1.00 0.00 N ATOM 812 CZ ARG A 52 11.942 -4.485 -6.890 1.00 0.00 C ATOM 813 NH1 ARG A 52 12.604 -4.573 -5.737 1.00 0.00 N ATOM 814 NH2 ARG A 52 12.496 -4.931 -8.008 1.00 0.00 N ATOM 0 H ARG A 52 8.853 -4.125 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 52 7.024 -2.115 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.644 -5.021 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.393 -4.094 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.215 -3.888 -7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.249 -2.381 -6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.220 -2.887 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.881 -4.605 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 52 10.367 -3.666 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.179 -4.226 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.536 -4.987 -5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.991 -4.860 -8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.428 -5.345 -7.985 1.00 0.00 H new ATOM 828 N VAL A 53 4.789 -3.155 -3.557 1.00 0.00 N ATOM 829 CA VAL A 53 3.495 -3.521 -2.990 1.00 0.00 C ATOM 830 C VAL A 53 2.505 -3.722 -4.129 1.00 0.00 C ATOM 831 O VAL A 53 2.682 -3.139 -5.199 1.00 0.00 O ATOM 832 CB VAL A 53 3.005 -2.427 -2.017 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.899 -2.386 -0.775 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.965 -1.013 -2.632 1.00 0.00 C ATOM 0 H VAL A 53 4.701 -2.488 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 53 3.586 -4.447 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 53 1.981 -2.702 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.544 -1.611 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.866 -3.352 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.924 -2.166 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.610 -0.302 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.966 -0.729 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.290 -1.008 -3.488 1.00 0.00 H new ATOM 844 N TRP A 54 1.449 -4.499 -3.909 1.00 0.00 N ATOM 845 CA TRP A 54 0.367 -4.670 -4.871 1.00 0.00 C ATOM 846 C TRP A 54 -0.959 -4.442 -4.163 1.00 0.00 C ATOM 847 O TRP A 54 -1.022 -4.511 -2.934 1.00 0.00 O ATOM 848 CB TRP A 54 0.472 -6.041 -5.553 1.00 0.00 C ATOM 849 CG TRP A 54 0.487 -7.268 -4.697 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.548 -8.124 -4.550 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.602 -7.852 -3.958 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.143 -9.210 -3.798 1.00 0.00 N ATOM 853 CE2 TRP A 54 1.160 -9.075 -3.381 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.951 -7.495 -3.735 1.00 0.00 C ATOM 855 CZ2 TRP A 54 2.004 -9.886 -2.614 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.813 -8.320 -2.988 1.00 0.00 C ATOM 857 CH2 TRP A 54 3.337 -9.519 -2.434 1.00 0.00 C ATOM 0 H TRP A 54 1.320 -5.033 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 54 0.439 -3.934 -5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.365 -6.131 -6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.383 -6.044 -6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.538 -7.981 -4.957 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.736 -10.011 -3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.328 -6.570 -4.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.625 -10.791 -2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.843 -8.030 -2.841 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.002 -10.156 -1.870 1.00 0.00 H new ATOM 868 N MET A 55 -2.011 -4.131 -4.919 1.00 0.00 N ATOM 869 CA MET A 55 -3.336 -3.961 -4.338 1.00 0.00 C ATOM 870 C MET A 55 -3.898 -5.311 -3.911 1.00 0.00 C ATOM 871 O MET A 55 -3.395 -6.366 -4.305 1.00 0.00 O ATOM 872 CB MET A 55 -4.285 -3.263 -5.324 1.00 0.00 C ATOM 873 CG MET A 55 -3.925 -1.800 -5.563 1.00 0.00 C ATOM 874 SD MET A 55 -5.288 -0.909 -6.356 1.00 0.00 S ATOM 875 CE MET A 55 -4.350 0.461 -7.054 1.00 0.00 C ATOM 0 H MET A 55 -1.969 -3.993 -5.929 1.00 0.00 H new ATOM 0 HA MET A 55 -3.247 -3.325 -3.457 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.268 -3.796 -6.275 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.304 -3.323 -4.943 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.680 -1.324 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.035 -1.740 -6.189 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.922 0.921 -7.860 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.156 1.202 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.403 0.091 -7.447 1.00 0.00 H new ATOM 885 N THR A 56 -4.962 -5.298 -3.113 1.00 0.00 N ATOM 886 CA THR A 56 -5.653 -6.521 -2.782 1.00 0.00 C ATOM 887 C THR A 56 -6.213 -7.177 -4.055 1.00 0.00 C ATOM 888 O THR A 56 -6.560 -6.498 -5.030 1.00 0.00 O ATOM 889 CB THR A 56 -6.684 -6.245 -1.684 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.503 -5.096 -1.865 1.00 0.00 O ATOM 891 CG2 THR A 56 -6.009 -6.073 -0.327 1.00 0.00 C ATOM 0 H THR A 56 -5.355 -4.457 -2.691 1.00 0.00 H new ATOM 0 HA THR A 56 -4.967 -7.259 -2.365 1.00 0.00 H new ATOM 0 HB THR A 56 -7.326 -7.124 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.124 -5.015 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.765 -5.878 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.465 -6.983 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.314 -5.235 -0.370 1.00 0.00 H new ATOM 899 N GLY A 57 -6.241 -8.509 -4.063 1.00 0.00 N ATOM 900 CA GLY A 57 -6.638 -9.342 -5.192 1.00 0.00 C ATOM 901 C GLY A 57 -5.591 -9.434 -6.308 1.00 0.00 C ATOM 902 O GLY A 57 -5.433 -10.512 -6.879 1.00 0.00 O ATOM 0 H GLY A 57 -5.976 -9.059 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.854 -10.347 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.564 -8.949 -5.611 1.00 0.00 H new ATOM 906 N GLU A 58 -4.857 -8.353 -6.594 1.00 0.00 N ATOM 907 CA GLU A 58 -3.852 -8.313 -7.655 1.00 0.00 C ATOM 908 C GLU A 58 -2.754 -9.351 -7.415 1.00 0.00 C ATOM 909 O GLU A 58 -2.563 -9.846 -6.296 1.00 0.00 O ATOM 910 CB GLU A 58 -3.223 -6.910 -7.758 1.00 0.00 C ATOM 911 CG GLU A 58 -4.096 -5.894 -8.504 1.00 0.00 C ATOM 912 CD GLU A 58 -4.308 -6.252 -9.984 1.00 0.00 C ATOM 913 OE1 GLU A 58 -3.397 -6.831 -10.621 1.00 0.00 O ATOM 914 OE2 GLU A 58 -5.408 -5.957 -10.501 1.00 0.00 O ATOM 0 H GLU A 58 -4.947 -7.472 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.356 -8.548 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.025 -6.536 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.261 -6.990 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.066 -5.826 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.634 -4.909 -8.437 1.00 0.00 H new ATOM 921 N SER A 59 -2.002 -9.669 -8.468 1.00 0.00 N ATOM 922 CA SER A 59 -0.821 -10.501 -8.345 1.00 0.00 C ATOM 923 C SER A 59 0.384 -9.630 -7.991 1.00 0.00 C ATOM 924 O SER A 59 0.405 -8.424 -8.233 1.00 0.00 O ATOM 925 CB SER A 59 -0.611 -11.318 -9.626 1.00 0.00 C ATOM 926 OG SER A 59 0.253 -12.403 -9.340 1.00 0.00 O ATOM 0 H SER A 59 -2.197 -9.357 -9.419 1.00 0.00 H new ATOM 0 HA SER A 59 -0.951 -11.219 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.567 -11.685 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.183 -10.691 -10.408 1.00 0.00 H new ATOM 0 HG SER A 59 0.393 -12.933 -10.152 1.00 0.00 H new ATOM 932 N MET A 60 1.429 -10.257 -7.461 1.00 0.00 N ATOM 933 CA MET A 60 2.677 -9.594 -7.113 1.00 0.00 C ATOM 934 C MET A 60 3.494 -9.240 -8.358 1.00 0.00 C ATOM 935 O MET A 60 4.256 -8.276 -8.342 1.00 0.00 O ATOM 936 CB MET A 60 3.433 -10.550 -6.207 1.00 0.00 C ATOM 937 CG MET A 60 4.779 -10.016 -5.725 1.00 0.00 C ATOM 938 SD MET A 60 5.738 -11.154 -4.670 1.00 0.00 S ATOM 939 CE MET A 60 4.480 -12.384 -4.187 1.00 0.00 C ATOM 0 H MET A 60 1.431 -11.257 -7.259 1.00 0.00 H new ATOM 0 HA MET A 60 2.484 -8.648 -6.608 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.813 -10.779 -5.340 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.595 -11.487 -6.740 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.382 -9.759 -6.596 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.608 -9.092 -5.172 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.950 -13.174 -3.600 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.707 -11.899 -3.590 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.030 -12.815 -5.081 1.00 0.00 H new ATOM 949 N GLU A 61 3.306 -9.971 -9.456 1.00 0.00 N ATOM 950 CA GLU A 61 3.766 -9.559 -10.782 1.00 0.00 C ATOM 951 C GLU A 61 3.007 -8.319 -11.299 1.00 0.00 C ATOM 952 O GLU A 61 3.397 -7.746 -12.315 1.00 0.00 O ATOM 953 CB GLU A 61 3.682 -10.741 -11.762 1.00 0.00 C ATOM 954 CG GLU A 61 4.851 -11.735 -11.591 1.00 0.00 C ATOM 955 CD GLU A 61 5.587 -11.995 -12.905 1.00 0.00 C ATOM 956 OE1 GLU A 61 5.956 -11.021 -13.594 1.00 0.00 O ATOM 957 OE2 GLU A 61 5.740 -13.176 -13.299 1.00 0.00 O ATOM 0 H GLU A 61 2.827 -10.872 -9.451 1.00 0.00 H new ATOM 0 HA GLU A 61 4.811 -9.260 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.738 -11.266 -11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.678 -10.362 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.553 -11.344 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.469 -12.677 -11.198 1.00 0.00 H new ATOM 964 N SER A 62 1.948 -7.883 -10.611 1.00 0.00 N ATOM 965 CA SER A 62 1.213 -6.643 -10.837 1.00 0.00 C ATOM 966 C SER A 62 1.566 -5.596 -9.757 1.00 0.00 C ATOM 967 O SER A 62 0.859 -4.592 -9.613 1.00 0.00 O ATOM 968 CB SER A 62 -0.291 -6.976 -10.837 1.00 0.00 C ATOM 969 OG SER A 62 -1.005 -6.338 -11.873 1.00 0.00 O ATOM 0 H SER A 62 1.561 -8.421 -9.836 1.00 0.00 H new ATOM 0 HA SER A 62 1.488 -6.206 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.417 -8.055 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.720 -6.686 -9.878 1.00 0.00 H new ATOM 0 HG SER A 62 -1.963 -6.354 -11.668 1.00 0.00 H new ATOM 975 N ALA A 63 2.616 -5.816 -8.953 1.00 0.00 N ATOM 976 CA ALA A 63 3.053 -4.872 -7.931 1.00 0.00 C ATOM 977 C ALA A 63 3.645 -3.602 -8.549 1.00 0.00 C ATOM 978 O ALA A 63 3.965 -3.549 -9.737 1.00 0.00 O ATOM 979 CB ALA A 63 4.063 -5.549 -6.989 1.00 0.00 C ATOM 0 H ALA A 63 3.185 -6.661 -8.999 1.00 0.00 H new ATOM 0 HA ALA A 63 2.180 -4.569 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.385 -4.838 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.593 -6.407 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.928 -5.883 -7.562 1.00 0.00 H new ATOM 985 N VAL A 64 3.813 -2.583 -7.713 1.00 0.00 N ATOM 986 CA VAL A 64 4.370 -1.278 -8.028 1.00 0.00 C ATOM 987 C VAL A 64 5.359 -0.903 -6.925 1.00 0.00 C ATOM 988 O VAL A 64 5.354 -1.499 -5.845 1.00 0.00 O ATOM 989 CB VAL A 64 3.239 -0.238 -8.178 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.349 -0.575 -9.377 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.353 -0.120 -6.930 1.00 0.00 C ATOM 0 H VAL A 64 3.545 -2.655 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 64 4.900 -1.302 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 64 3.738 0.719 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.559 0.170 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.949 -0.576 -10.287 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.905 -1.560 -9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.579 0.628 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.887 -1.083 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.963 0.180 -6.078 1.00 0.00 H new ATOM 1001 N LEU A 65 6.229 0.070 -7.180 1.00 0.00 N ATOM 1002 CA LEU A 65 7.170 0.567 -6.192 1.00 0.00 C ATOM 1003 C LEU A 65 6.384 1.406 -5.186 1.00 0.00 C ATOM 1004 O LEU A 65 5.716 2.369 -5.573 1.00 0.00 O ATOM 1005 CB LEU A 65 8.259 1.393 -6.895 1.00 0.00 C ATOM 1006 CG LEU A 65 9.299 0.501 -7.599 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.099 1.323 -8.609 1.00 0.00 C ATOM 1008 CD2 LEU A 65 10.281 -0.145 -6.613 1.00 0.00 C ATOM 0 H LEU A 65 6.298 0.536 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 65 7.667 -0.248 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.796 2.055 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.761 2.027 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 65 8.743 -0.292 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.831 0.683 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.423 1.741 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.614 2.133 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.993 -0.763 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.818 0.634 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.731 -0.765 -5.905 1.00 0.00 H new ATOM 1020 N LEU A 66 6.476 1.059 -3.899 1.00 0.00 N ATOM 1021 CA LEU A 66 5.903 1.834 -2.801 1.00 0.00 C ATOM 1022 C LEU A 66 6.309 3.309 -2.898 1.00 0.00 C ATOM 1023 O LEU A 66 5.508 4.167 -2.543 1.00 0.00 O ATOM 1024 CB LEU A 66 6.305 1.218 -1.437 1.00 0.00 C ATOM 1025 CG LEU A 66 5.811 2.015 -0.203 1.00 0.00 C ATOM 1026 CD1 LEU A 66 4.280 2.105 -0.154 1.00 0.00 C ATOM 1027 CD2 LEU A 66 6.289 1.378 1.109 1.00 0.00 C ATOM 0 H LEU A 66 6.960 0.216 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 66 4.817 1.793 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.911 0.203 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.391 1.141 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 66 6.233 3.015 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.977 2.672 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.916 2.606 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.858 1.101 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.924 1.964 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.905 0.360 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.379 1.357 1.127 1.00 0.00 H new ATOM 1039 N THR A 67 7.502 3.636 -3.398 1.00 0.00 N ATOM 1040 CA THR A 67 7.982 5.016 -3.415 1.00 0.00 C ATOM 1041 C THR A 67 7.238 5.878 -4.449 1.00 0.00 C ATOM 1042 O THR A 67 7.060 7.082 -4.246 1.00 0.00 O ATOM 1043 CB THR A 67 9.507 5.030 -3.592 1.00 0.00 C ATOM 1044 OG1 THR A 67 9.913 4.337 -4.761 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.158 4.380 -2.366 1.00 0.00 C ATOM 0 H THR A 67 8.154 2.961 -3.797 1.00 0.00 H new ATOM 0 HA THR A 67 7.758 5.480 -2.455 1.00 0.00 H new ATOM 0 HB THR A 67 9.825 6.068 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.889 4.370 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.242 4.386 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.887 4.939 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.809 3.352 -2.271 1.00 0.00 H new ATOM 1053 N ASP A 68 6.735 5.270 -5.526 1.00 0.00 N ATOM 1054 CA ASP A 68 5.874 5.932 -6.506 1.00 0.00 C ATOM 1055 C ASP A 68 4.514 6.190 -5.862 1.00 0.00 C ATOM 1056 O ASP A 68 4.001 7.307 -5.881 1.00 0.00 O ATOM 1057 CB ASP A 68 5.754 5.054 -7.770 1.00 0.00 C ATOM 1058 CG ASP A 68 5.945 5.892 -9.031 1.00 0.00 C ATOM 1059 OD1 ASP A 68 4.990 6.551 -9.484 1.00 0.00 O ATOM 1060 OD2 ASP A 68 7.085 5.959 -9.551 1.00 0.00 O ATOM 0 H ASP A 68 6.918 4.290 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 68 6.300 6.888 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.500 4.260 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.776 4.572 -7.792 1.00 0.00 H new ATOM 1065 N VAL A 69 3.957 5.172 -5.203 1.00 0.00 N ATOM 1066 CA VAL A 69 2.688 5.263 -4.490 1.00 0.00 C ATOM 1067 C VAL A 69 2.781 6.293 -3.343 1.00 0.00 C ATOM 1068 O VAL A 69 1.801 6.983 -3.056 1.00 0.00 O ATOM 1069 CB VAL A 69 2.266 3.849 -4.032 1.00 0.00 C ATOM 1070 CG1 VAL A 69 0.873 3.859 -3.404 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.203 2.863 -5.211 1.00 0.00 C ATOM 0 H VAL A 69 4.385 4.247 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 69 1.902 5.634 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 69 3.020 3.538 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.607 2.849 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.870 4.519 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.147 4.217 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.903 1.880 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.477 3.217 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.185 2.792 -5.679 1.00 0.00 H new ATOM 1081 N LEU A 70 3.953 6.468 -2.721 1.00 0.00 N ATOM 1082 CA LEU A 70 4.238 7.485 -1.702 1.00 0.00 C ATOM 1083 C LEU A 70 3.942 8.889 -2.226 1.00 0.00 C ATOM 1084 O LEU A 70 3.330 9.685 -1.514 1.00 0.00 O ATOM 1085 CB LEU A 70 5.690 7.366 -1.210 1.00 0.00 C ATOM 1086 CG LEU A 70 5.905 6.858 0.228 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.914 5.779 0.650 1.00 0.00 C ATOM 1088 CD2 LEU A 70 7.296 6.265 0.359 1.00 0.00 C ATOM 0 H LEU A 70 4.762 5.880 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 70 3.579 7.309 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.223 6.699 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.157 8.347 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 70 5.762 7.726 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.127 5.470 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.900 6.174 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.006 4.920 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.444 5.907 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.404 5.434 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.040 7.028 0.131 1.00 0.00 H new ATOM 1100 N ARG A 71 4.352 9.181 -3.465 1.00 0.00 N ATOM 1101 CA ARG A 71 4.035 10.418 -4.168 1.00 0.00 C ATOM 1102 C ARG A 71 2.546 10.457 -4.504 1.00 0.00 C ATOM 1103 O ARG A 71 1.859 11.426 -4.195 1.00 0.00 O ATOM 1104 CB ARG A 71 4.950 10.526 -5.409 1.00 0.00 C ATOM 1105 CG ARG A 71 4.390 11.418 -6.516 1.00 0.00 C ATOM 1106 CD ARG A 71 5.437 11.772 -7.586 1.00 0.00 C ATOM 1107 NE ARG A 71 4.927 11.456 -8.929 1.00 0.00 N ATOM 1108 CZ ARG A 71 4.783 10.223 -9.430 1.00 0.00 C ATOM 1109 NH1 ARG A 71 5.323 9.183 -8.811 1.00 0.00 N ATOM 1110 NH2 ARG A 71 4.075 10.017 -10.532 1.00 0.00 N ATOM 0 H ARG A 71 4.928 8.544 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 71 4.227 11.290 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.921 10.914 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.119 9.527 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.548 10.914 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.004 12.337 -6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.685 12.832 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.357 11.218 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 71 4.662 12.239 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.851 9.320 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.211 8.245 -9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.632 10.803 -11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.973 9.073 -10.904 1.00 0.00 H new ATOM 1124 N LEU A 72 2.048 9.423 -5.183 1.00 0.00 N ATOM 1125 CA LEU A 72 0.729 9.445 -5.816 1.00 0.00 C ATOM 1126 C LEU A 72 -0.395 9.590 -4.789 1.00 0.00 C ATOM 1127 O LEU A 72 -1.421 10.216 -5.073 1.00 0.00 O ATOM 1128 CB LEU A 72 0.528 8.159 -6.634 1.00 0.00 C ATOM 1129 CG LEU A 72 1.462 8.072 -7.858 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.619 6.618 -8.312 1.00 0.00 C ATOM 1131 CD2 LEU A 72 0.939 8.934 -9.013 1.00 0.00 C ATOM 0 H LEU A 72 2.550 8.544 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 72 0.688 10.314 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.699 7.295 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.508 8.106 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 72 2.439 8.455 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.281 6.576 -9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.044 6.027 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.643 6.214 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.617 8.854 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.052 8.588 -9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.880 9.974 -8.693 1.00 0.00 H new ATOM 1143 N SER A 73 -0.213 9.040 -3.591 1.00 0.00 N ATOM 1144 CA SER A 73 -1.256 8.903 -2.577 1.00 0.00 C ATOM 1145 C SER A 73 -1.241 10.091 -1.615 1.00 0.00 C ATOM 1146 O SER A 73 -1.244 9.939 -0.389 1.00 0.00 O ATOM 1147 CB SER A 73 -1.090 7.560 -1.874 1.00 0.00 C ATOM 1148 OG SER A 73 -0.842 6.567 -2.850 1.00 0.00 O ATOM 0 H SER A 73 0.688 8.667 -3.290 1.00 0.00 H new ATOM 0 HA SER A 73 -2.240 8.915 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.266 7.605 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.988 7.317 -1.306 1.00 0.00 H new ATOM 0 HG SER A 73 0.115 6.548 -3.062 1.00 0.00 H new ATOM 1154 N GLY A 74 -1.177 11.289 -2.183 1.00 0.00 N ATOM 1155 CA GLY A 74 -1.059 12.555 -1.497 1.00 0.00 C ATOM 1156 C GLY A 74 -0.768 13.640 -2.530 1.00 0.00 C ATOM 1157 O GLY A 74 -0.726 13.359 -3.732 1.00 0.00 O ATOM 0 H GLY A 74 -1.209 11.401 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.979 12.781 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.260 12.512 -0.757 1.00 0.00 H new ATOM 1161 N PRO A 75 -0.592 14.893 -2.101 1.00 0.00 N ATOM 1162 CA PRO A 75 -0.029 15.916 -2.965 1.00 0.00 C ATOM 1163 C PRO A 75 1.445 15.607 -3.224 1.00 0.00 C ATOM 1164 O PRO A 75 2.125 15.039 -2.360 1.00 0.00 O ATOM 1165 CB PRO A 75 -0.234 17.212 -2.191 1.00 0.00 C ATOM 1166 CG PRO A 75 -0.148 16.778 -0.725 1.00 0.00 C ATOM 1167 CD PRO A 75 -0.725 15.366 -0.731 1.00 0.00 C ATOM 0 HA PRO A 75 -0.495 15.975 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.530 17.949 -2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.199 17.666 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.880 16.789 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.720 17.442 -0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.185 14.719 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.769 15.368 -0.417 1.00 0.00 H new ATOM 1175 N SER A 76 1.936 15.975 -4.409 1.00 0.00 N ATOM 1176 CA SER A 76 3.326 15.716 -4.730 1.00 0.00 C ATOM 1177 C SER A 76 4.225 16.666 -3.933 1.00 0.00 C ATOM 1178 O SER A 76 5.286 16.235 -3.478 1.00 0.00 O ATOM 1179 CB SER A 76 3.568 15.813 -6.238 1.00 0.00 C ATOM 1180 OG SER A 76 4.745 15.101 -6.574 1.00 0.00 O ATOM 0 H SER A 76 1.401 16.442 -5.141 1.00 0.00 H new ATOM 0 HA SER A 76 3.579 14.696 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.716 15.405 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.665 16.857 -6.535 1.00 0.00 H new ATOM 0 HG SER A 76 4.899 15.162 -7.540 1.00 0.00 H new ATOM 1186 N SER A 77 3.781 17.911 -3.713 1.00 0.00 N ATOM 1187 CA SER A 77 4.402 18.907 -2.843 1.00 0.00 C ATOM 1188 C SER A 77 5.864 19.148 -3.224 1.00 0.00 C ATOM 1189 O SER A 77 6.790 18.804 -2.479 1.00 0.00 O ATOM 1190 CB SER A 77 4.224 18.494 -1.376 1.00 0.00 C ATOM 1191 OG SER A 77 2.866 18.210 -1.108 1.00 0.00 O ATOM 0 H SER A 77 2.936 18.264 -4.162 1.00 0.00 H new ATOM 0 HA SER A 77 3.901 19.866 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.835 17.617 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.572 19.293 -0.721 1.00 0.00 H new ATOM 0 HG SER A 77 2.766 17.946 -0.170 1.00 0.00 H new ATOM 1197 N GLY A 78 6.074 19.711 -4.414 1.00 0.00 N ATOM 1198 CA GLY A 78 7.393 20.102 -4.884 1.00 0.00 C ATOM 1199 C GLY A 78 8.027 21.100 -3.937 1.00 0.00 C ATOM 1200 O GLY A 78 9.266 21.115 -3.841 1.00 0.00 O ATOM 0 H GLY A 78 5.326 19.908 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.029 19.221 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.315 20.538 -5.880 1.00 0.00 H new TER 1204 GLY A 78