USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 65 TYR OH : rot 180:sc= 0.126 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -113:sc= 0.126 (180deg=0) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot -130:sc= 2.23 USER MOD Set 3.2: A 15 SER OG : rot 170:sc= 1.04 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 138:sc= -0.151 (180deg=-0.518) USER MOD Single : A 18 SER OG : rot -139:sc= 0.0227 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.057 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 57 SER OG : rot 180:sc= -0.222 USER MOD Single : A 60 SER OG : rot 61:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0143) USER MOD Single : A 69 SER OG : rot 170:sc= -0.773 USER MOD Single : A 70 ASN : amide:sc=-0.00739 X(o=-0.0074,f=-0.14) USER MOD Single : A 74 ASN : amide:sc= 0.317 K(o=0.32,f=-3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.001 USER MOD Single : A 80 LYS NZ :NH3+ -134:sc= -0.0828 (180deg=-1.49!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.703 K(o=0.7,f=-0.21) USER MOD Single : A 102 SER OG : rot -86:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.717 -3.890 7.752 1.00 0.00 N ATOM 29 CA ARG A 3 7.358 -4.080 6.352 1.00 0.00 C ATOM 30 C ARG A 3 6.375 -3.008 5.931 1.00 0.00 C ATOM 31 O ARG A 3 5.361 -2.802 6.592 1.00 0.00 O ATOM 32 CB ARG A 3 6.834 -5.499 6.153 1.00 0.00 C ATOM 33 CG ARG A 3 8.046 -6.431 6.025 1.00 0.00 C ATOM 34 CD ARG A 3 7.856 -7.830 6.597 1.00 0.00 C ATOM 35 NE ARG A 3 7.554 -7.804 8.041 1.00 0.00 N ATOM 36 CZ ARG A 3 8.460 -7.805 9.029 1.00 0.00 C ATOM 37 NH1 ARG A 3 9.764 -7.808 8.799 1.00 0.00 N ATOM 38 NH2 ARG A 3 8.074 -7.777 10.294 1.00 0.00 N ATOM 0 HA ARG A 3 8.230 -3.973 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.209 -5.797 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.212 -5.555 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.305 -6.520 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.896 -5.965 6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.046 -8.331 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.759 -8.416 6.427 1.00 0.00 H new ATOM 0 HE ARG A 3 6.571 -7.783 8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.113 -7.810 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.420 -7.809 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.080 -7.754 10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.770 -7.778 11.040 1.00 0.00 H new ATOM 52 N VAL A 4 6.704 -2.306 4.859 1.00 0.00 N ATOM 53 CA VAL A 4 5.879 -1.304 4.195 1.00 0.00 C ATOM 54 C VAL A 4 5.257 -2.031 2.996 1.00 0.00 C ATOM 55 O VAL A 4 5.894 -2.946 2.470 1.00 0.00 O ATOM 56 CB VAL A 4 6.840 -0.121 3.877 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.607 -0.362 2.588 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.239 1.289 3.777 1.00 0.00 C ATOM 0 H VAL A 4 7.607 -2.426 4.400 1.00 0.00 H new ATOM 0 HA VAL A 4 5.051 -0.876 4.760 1.00 0.00 H new ATOM 0 HB VAL A 4 7.471 -0.120 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.269 0.482 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.199 -1.273 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.905 -0.469 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.028 2.006 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.492 1.311 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.770 1.553 4.725 1.00 0.00 H new ATOM 68 N ALA A 5 4.051 -1.668 2.541 1.00 0.00 N ATOM 69 CA ALA A 5 3.529 -2.230 1.294 1.00 0.00 C ATOM 70 C ALA A 5 3.275 -1.088 0.312 1.00 0.00 C ATOM 71 O ALA A 5 2.889 0.008 0.727 1.00 0.00 O ATOM 72 CB ALA A 5 2.265 -3.048 1.564 1.00 0.00 C ATOM 0 H ALA A 5 3.433 -1.003 3.006 1.00 0.00 H new ATOM 0 HA ALA A 5 4.256 -2.912 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.890 -3.459 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.498 -3.863 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.504 -2.406 2.009 1.00 0.00 H new ATOM 78 N ILE A 6 3.440 -1.327 -0.984 1.00 0.00 N ATOM 79 CA ILE A 6 3.266 -0.337 -2.034 1.00 0.00 C ATOM 80 C ILE A 6 2.345 -0.962 -3.103 1.00 0.00 C ATOM 81 O ILE A 6 2.670 -2.026 -3.634 1.00 0.00 O ATOM 82 CB ILE A 6 4.618 0.152 -2.593 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.639 0.564 -1.510 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.384 1.338 -3.538 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.556 -0.584 -1.062 1.00 0.00 C ATOM 0 H ILE A 6 3.707 -2.244 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 6 2.797 0.566 -1.643 1.00 0.00 H new ATOM 0 HB ILE A 6 5.051 -0.698 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.252 1.380 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.102 0.948 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.340 1.683 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.743 1.026 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.903 2.149 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.247 -0.222 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.952 -1.392 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.121 -0.954 -1.918 1.00 0.00 H new ATOM 97 N PRO A 7 1.186 -0.347 -3.389 1.00 0.00 N ATOM 98 CA PRO A 7 0.182 -0.775 -4.334 1.00 0.00 C ATOM 99 C PRO A 7 0.732 -0.523 -5.737 1.00 0.00 C ATOM 100 O PRO A 7 0.750 0.615 -6.199 1.00 0.00 O ATOM 101 CB PRO A 7 -1.048 0.077 -3.974 1.00 0.00 C ATOM 102 CG PRO A 7 -0.488 1.383 -3.439 1.00 0.00 C ATOM 103 CD PRO A 7 0.843 0.960 -2.901 1.00 0.00 C ATOM 0 HA PRO A 7 -0.085 -1.831 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.678 0.247 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.667 -0.421 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.390 2.135 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.123 1.811 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.607 1.678 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.817 0.953 -1.811 1.00 0.00 H new ATOM 111 N SER A 8 1.216 -1.566 -6.395 1.00 0.00 N ATOM 112 CA SER A 8 1.867 -1.498 -7.691 1.00 0.00 C ATOM 113 C SER A 8 0.866 -1.906 -8.781 1.00 0.00 C ATOM 114 O SER A 8 -0.153 -2.556 -8.495 1.00 0.00 O ATOM 115 CB SER A 8 3.104 -2.417 -7.606 1.00 0.00 C ATOM 116 OG SER A 8 3.478 -2.960 -8.851 1.00 0.00 O ATOM 0 H SER A 8 1.163 -2.516 -6.026 1.00 0.00 H new ATOM 0 HA SER A 8 2.198 -0.493 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.941 -1.852 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.898 -3.230 -6.910 1.00 0.00 H new ATOM 0 HG SER A 8 3.588 -3.930 -8.765 1.00 0.00 H new ATOM 122 N VAL A 9 1.187 -1.596 -10.045 1.00 0.00 N ATOM 123 CA VAL A 9 0.498 -2.171 -11.197 1.00 0.00 C ATOM 124 C VAL A 9 1.461 -2.916 -12.136 1.00 0.00 C ATOM 125 O VAL A 9 1.255 -2.946 -13.354 1.00 0.00 O ATOM 126 CB VAL A 9 -0.329 -1.082 -11.920 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.282 -0.365 -10.953 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.506 -0.022 -12.672 1.00 0.00 C ATOM 0 H VAL A 9 1.929 -0.942 -10.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.199 -2.929 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.890 -1.636 -12.673 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.847 0.393 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.971 -1.089 -10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.705 0.110 -10.159 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.161 0.698 -13.146 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.156 0.496 -11.967 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.113 -0.511 -13.434 1.00 0.00 H new ATOM 138 N GLY A 10 2.448 -3.619 -11.581 1.00 0.00 N ATOM 139 CA GLY A 10 3.348 -4.500 -12.312 1.00 0.00 C ATOM 140 C GLY A 10 4.210 -5.307 -11.343 1.00 0.00 C ATOM 141 O GLY A 10 4.083 -5.181 -10.124 1.00 0.00 O ATOM 0 H GLY A 10 2.646 -3.588 -10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.771 -5.175 -12.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.986 -3.912 -12.972 1.00 0.00 H new ATOM 145 N LYS A 11 5.102 -6.138 -11.867 1.00 0.00 N ATOM 146 CA LYS A 11 5.905 -7.075 -11.086 1.00 0.00 C ATOM 147 C LYS A 11 7.358 -6.605 -11.061 1.00 0.00 C ATOM 148 O LYS A 11 8.265 -7.421 -11.202 1.00 0.00 O ATOM 149 CB LYS A 11 5.720 -8.494 -11.664 1.00 0.00 C ATOM 150 CG LYS A 11 4.320 -9.032 -11.466 1.00 0.00 C ATOM 151 CD LYS A 11 4.142 -10.435 -12.058 1.00 0.00 C ATOM 152 CE LYS A 11 3.581 -10.356 -13.482 1.00 0.00 C ATOM 153 NZ LYS A 11 3.069 -11.661 -13.939 1.00 0.00 N ATOM 0 H LYS A 11 5.293 -6.182 -12.868 1.00 0.00 H new ATOM 0 HA LYS A 11 5.577 -7.110 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.951 -8.480 -12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.434 -9.169 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.092 -9.059 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.604 -8.352 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.100 -10.955 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.469 -11.018 -11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.780 -9.618 -13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.361 -10.012 -14.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.698 -11.569 -14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.840 -12.359 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.308 -11.977 -13.305 1.00 0.00 H new ATOM 167 N ASP A 12 7.590 -5.295 -10.932 1.00 0.00 N ATOM 168 CA ASP A 12 8.916 -4.682 -10.989 1.00 0.00 C ATOM 169 C ASP A 12 8.999 -3.536 -9.996 1.00 0.00 C ATOM 170 O ASP A 12 8.036 -2.793 -9.825 1.00 0.00 O ATOM 171 CB ASP A 12 9.190 -4.099 -12.378 1.00 0.00 C ATOM 172 CG ASP A 12 9.451 -5.137 -13.467 1.00 0.00 C ATOM 173 OD1 ASP A 12 10.467 -5.867 -13.392 1.00 0.00 O ATOM 174 OD2 ASP A 12 8.694 -5.127 -14.470 1.00 0.00 O ATOM 0 H ASP A 12 6.842 -4.618 -10.782 1.00 0.00 H new ATOM 0 HA ASP A 12 9.646 -5.458 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.338 -3.488 -12.675 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.052 -3.435 -12.314 1.00 0.00 H new ATOM 179 N LEU A 13 10.192 -3.303 -9.454 1.00 0.00 N ATOM 180 CA LEU A 13 10.565 -2.178 -8.583 1.00 0.00 C ATOM 181 C LEU A 13 10.596 -0.830 -9.324 1.00 0.00 C ATOM 182 O LEU A 13 10.892 0.211 -8.742 1.00 0.00 O ATOM 183 CB LEU A 13 11.934 -2.505 -7.959 1.00 0.00 C ATOM 184 CG LEU A 13 12.262 -2.042 -6.518 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.299 -0.526 -6.330 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.345 -2.654 -5.455 1.00 0.00 C ATOM 0 H LEU A 13 10.978 -3.932 -9.619 1.00 0.00 H new ATOM 0 HA LEU A 13 9.806 -2.061 -7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.051 -3.588 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.697 -2.086 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 13 13.274 -2.420 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.536 -0.294 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.061 -0.097 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.326 -0.104 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.633 -2.285 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.312 -2.373 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.437 -3.740 -5.477 1.00 0.00 H new ATOM 198 N SER A 14 10.260 -0.806 -10.608 1.00 0.00 N ATOM 199 CA SER A 14 10.000 0.433 -11.321 1.00 0.00 C ATOM 200 C SER A 14 8.674 0.279 -12.067 1.00 0.00 C ATOM 201 O SER A 14 8.517 0.779 -13.181 1.00 0.00 O ATOM 202 CB SER A 14 11.188 0.663 -12.253 1.00 0.00 C ATOM 203 OG SER A 14 11.286 1.992 -12.739 1.00 0.00 O ATOM 0 H SER A 14 10.161 -1.644 -11.181 1.00 0.00 H new ATOM 0 HA SER A 14 9.903 1.299 -10.666 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.107 0.411 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.111 -0.019 -13.100 1.00 0.00 H new ATOM 0 HG SER A 14 12.067 2.069 -13.326 1.00 0.00 H new ATOM 209 N SER A 15 7.689 -0.388 -11.456 1.00 0.00 N ATOM 210 CA SER A 15 6.336 -0.331 -12.003 1.00 0.00 C ATOM 211 C SER A 15 5.654 0.957 -11.542 1.00 0.00 C ATOM 212 O SER A 15 6.058 1.504 -10.526 1.00 0.00 O ATOM 213 CB SER A 15 5.523 -1.539 -11.540 1.00 0.00 C ATOM 214 OG SER A 15 5.015 -1.336 -10.245 1.00 0.00 O ATOM 0 H SER A 15 7.798 -0.953 -10.614 1.00 0.00 H new ATOM 0 HA SER A 15 6.394 -0.345 -13.091 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.701 -1.717 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.150 -2.431 -11.553 1.00 0.00 H new ATOM 0 HG SER A 15 4.372 -2.044 -10.031 1.00 0.00 H new ATOM 220 N MET A 16 4.541 1.377 -12.136 1.00 0.00 N ATOM 221 CA MET A 16 3.826 2.584 -11.718 1.00 0.00 C ATOM 222 C MET A 16 3.002 2.292 -10.455 1.00 0.00 C ATOM 223 O MET A 16 2.349 1.249 -10.364 1.00 0.00 O ATOM 224 CB MET A 16 2.893 2.995 -12.866 1.00 0.00 C ATOM 225 CG MET A 16 3.504 4.078 -13.764 1.00 0.00 C ATOM 226 SD MET A 16 2.609 5.661 -13.733 1.00 0.00 S ATOM 227 CE MET A 16 2.613 6.000 -11.949 1.00 0.00 C ATOM 0 H MET A 16 4.107 0.892 -12.921 1.00 0.00 H new ATOM 0 HA MET A 16 4.529 3.385 -11.492 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.657 2.118 -13.469 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.953 3.359 -12.452 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.536 4.250 -13.457 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.534 3.710 -14.790 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.827 7.055 -11.780 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.637 5.756 -11.530 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.378 5.393 -11.465 1.00 0.00 H new ATOM 237 N VAL A 17 3.094 3.150 -9.429 1.00 0.00 N ATOM 238 CA VAL A 17 2.327 3.031 -8.178 1.00 0.00 C ATOM 239 C VAL A 17 0.873 3.438 -8.450 1.00 0.00 C ATOM 240 O VAL A 17 0.584 4.303 -9.281 1.00 0.00 O ATOM 241 CB VAL A 17 3.023 3.803 -7.020 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.302 3.816 -5.669 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.372 3.166 -6.723 1.00 0.00 C ATOM 0 H VAL A 17 3.714 3.960 -9.444 1.00 0.00 H new ATOM 0 HA VAL A 17 2.302 1.998 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 17 3.058 4.826 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.889 4.386 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.322 4.278 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.181 2.794 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.859 3.707 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.227 2.126 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.998 3.208 -7.614 1.00 0.00 H new ATOM 253 N SER A 18 -0.049 2.752 -7.777 1.00 0.00 N ATOM 254 CA SER A 18 -1.482 2.764 -7.991 1.00 0.00 C ATOM 255 C SER A 18 -2.129 3.770 -7.048 1.00 0.00 C ATOM 256 O SER A 18 -1.870 3.753 -5.843 1.00 0.00 O ATOM 257 CB SER A 18 -1.986 1.333 -7.752 1.00 0.00 C ATOM 258 OG SER A 18 -3.266 1.118 -8.312 1.00 0.00 O ATOM 0 H SER A 18 0.213 2.129 -7.013 1.00 0.00 H new ATOM 0 HA SER A 18 -1.741 3.071 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.279 0.624 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.022 1.136 -6.680 1.00 0.00 H new ATOM 0 HG SER A 18 -3.808 0.584 -7.694 1.00 0.00 H new ATOM 264 N ASP A 19 -3.013 4.627 -7.576 1.00 0.00 N ATOM 265 CA ASP A 19 -3.616 5.725 -6.822 1.00 0.00 C ATOM 266 C ASP A 19 -4.802 5.223 -5.962 1.00 0.00 C ATOM 267 O ASP A 19 -5.871 5.838 -5.897 1.00 0.00 O ATOM 268 CB ASP A 19 -4.089 6.846 -7.778 1.00 0.00 C ATOM 269 CG ASP A 19 -2.982 7.675 -8.427 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.028 8.031 -7.704 1.00 0.00 O ATOM 271 OD2 ASP A 19 -3.149 8.099 -9.600 1.00 0.00 O ATOM 0 H ASP A 19 -3.329 4.574 -8.544 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.855 6.130 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.690 6.395 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.744 7.519 -7.224 1.00 0.00 H new ATOM 276 N ARG A 20 -4.670 4.031 -5.364 1.00 0.00 N ATOM 277 CA ARG A 20 -5.779 3.239 -4.825 1.00 0.00 C ATOM 278 C ARG A 20 -5.198 2.006 -4.137 1.00 0.00 C ATOM 279 O ARG A 20 -4.907 1.022 -4.810 1.00 0.00 O ATOM 280 CB ARG A 20 -6.790 2.851 -5.948 1.00 0.00 C ATOM 281 CG ARG A 20 -6.233 2.688 -7.381 1.00 0.00 C ATOM 282 CD ARG A 20 -7.300 2.357 -8.436 1.00 0.00 C ATOM 283 NE ARG A 20 -7.913 3.584 -8.978 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.300 3.804 -10.244 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.370 2.821 -11.135 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.619 5.030 -10.631 1.00 0.00 N ATOM 0 H ARG A 20 -3.763 3.581 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.338 3.828 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.266 1.913 -5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.572 3.610 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.726 3.609 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.482 1.898 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.849 1.784 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.071 1.728 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.059 4.349 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.126 1.868 -10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.668 3.019 -12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.570 5.803 -9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.914 5.201 -11.592 1.00 0.00 H new ATOM 300 N PHE A 21 -5.026 2.005 -2.807 1.00 0.00 N ATOM 301 CA PHE A 21 -4.501 0.836 -2.116 1.00 0.00 C ATOM 302 C PHE A 21 -5.387 -0.398 -2.298 1.00 0.00 C ATOM 303 O PHE A 21 -4.883 -1.460 -2.655 1.00 0.00 O ATOM 304 CB PHE A 21 -4.308 1.176 -0.634 1.00 0.00 C ATOM 305 CG PHE A 21 -4.040 -0.017 0.252 1.00 0.00 C ATOM 306 CD1 PHE A 21 -2.983 -0.886 -0.063 1.00 0.00 C ATOM 307 CD2 PHE A 21 -4.857 -0.280 1.367 1.00 0.00 C ATOM 308 CE1 PHE A 21 -2.734 -2.014 0.728 1.00 0.00 C ATOM 309 CE2 PHE A 21 -4.594 -1.401 2.174 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.517 -2.255 1.872 1.00 0.00 C ATOM 0 H PHE A 21 -5.243 2.796 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.538 0.578 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.478 1.876 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.200 1.688 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.358 -0.683 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.682 0.376 1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.942 -2.698 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.221 -1.607 3.029 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.292 -3.092 2.516 1.00 0.00 H new ATOM 320 N ALA A 22 -6.693 -0.285 -2.042 1.00 0.00 N ATOM 321 CA ALA A 22 -7.586 -1.443 -2.088 1.00 0.00 C ATOM 322 C ALA A 22 -7.968 -1.850 -3.514 1.00 0.00 C ATOM 323 O ALA A 22 -8.729 -2.795 -3.679 1.00 0.00 O ATOM 324 CB ALA A 22 -8.787 -1.260 -1.153 1.00 0.00 C ATOM 0 H ALA A 22 -7.153 0.593 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.027 -2.297 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.430 -2.138 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.435 -1.135 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.351 -0.377 -1.453 1.00 0.00 H new ATOM 330 N ARG A 23 -7.426 -1.193 -4.545 1.00 0.00 N ATOM 331 CA ARG A 23 -7.441 -1.628 -5.920 1.00 0.00 C ATOM 332 C ARG A 23 -6.024 -1.419 -6.448 1.00 0.00 C ATOM 333 O ARG A 23 -5.769 -0.516 -7.246 1.00 0.00 O ATOM 334 CB ARG A 23 -8.450 -0.791 -6.686 1.00 0.00 C ATOM 335 CG ARG A 23 -9.808 -1.482 -6.769 1.00 0.00 C ATOM 336 CD ARG A 23 -9.860 -2.672 -7.747 1.00 0.00 C ATOM 337 NE ARG A 23 -9.833 -2.203 -9.149 1.00 0.00 N ATOM 338 CZ ARG A 23 -8.763 -2.115 -9.952 1.00 0.00 C ATOM 339 NH1 ARG A 23 -7.618 -2.731 -9.684 1.00 0.00 N ATOM 340 NH2 ARG A 23 -8.810 -1.379 -11.051 1.00 0.00 N ATOM 0 H ARG A 23 -6.945 -0.302 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.730 -2.673 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.564 0.178 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.076 -0.601 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.085 -1.833 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.557 -0.749 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.014 -3.335 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.765 -3.254 -7.571 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.726 -1.915 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.529 -3.297 -8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.827 -2.638 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.664 -0.875 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.993 -1.316 -11.658 1.00 0.00 H new ATOM 354 N ALA A 24 -5.076 -2.215 -5.972 1.00 0.00 N ATOM 355 CA ALA A 24 -3.834 -2.356 -6.708 1.00 0.00 C ATOM 356 C ALA A 24 -3.944 -3.676 -7.466 1.00 0.00 C ATOM 357 O ALA A 24 -4.983 -4.342 -7.432 1.00 0.00 O ATOM 358 CB ALA A 24 -2.614 -2.236 -5.766 1.00 0.00 C ATOM 0 H ALA A 24 -5.140 -2.755 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.672 -1.554 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.696 -2.345 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.623 -1.260 -5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.661 -3.018 -5.008 1.00 0.00 H new ATOM 364 N GLU A 25 -2.898 -4.041 -8.184 1.00 0.00 N ATOM 365 CA GLU A 25 -2.851 -5.304 -8.915 1.00 0.00 C ATOM 366 C GLU A 25 -1.741 -6.193 -8.357 1.00 0.00 C ATOM 367 O GLU A 25 -1.773 -7.417 -8.509 1.00 0.00 O ATOM 368 CB GLU A 25 -2.641 -4.976 -10.395 1.00 0.00 C ATOM 369 CG GLU A 25 -3.927 -4.496 -11.076 1.00 0.00 C ATOM 370 CD GLU A 25 -3.858 -4.627 -12.602 1.00 0.00 C ATOM 371 OE1 GLU A 25 -2.818 -4.262 -13.200 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.876 -5.041 -13.219 1.00 0.00 O ATOM 0 H GLU A 25 -2.055 -3.474 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.781 -5.861 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.875 -4.206 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.269 -5.861 -10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.772 -5.074 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.110 -3.455 -10.810 1.00 0.00 H new ATOM 379 N TYR A 26 -0.774 -5.573 -7.684 1.00 0.00 N ATOM 380 CA TYR A 26 0.389 -6.161 -7.082 1.00 0.00 C ATOM 381 C TYR A 26 0.654 -5.350 -5.820 1.00 0.00 C ATOM 382 O TYR A 26 0.271 -4.178 -5.742 1.00 0.00 O ATOM 383 CB TYR A 26 1.551 -6.028 -8.072 1.00 0.00 C ATOM 384 CG TYR A 26 1.289 -6.704 -9.398 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.677 -5.976 -10.432 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.648 -8.045 -9.602 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.430 -6.569 -11.677 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.408 -8.644 -10.849 1.00 0.00 C ATOM 389 CZ TYR A 26 0.789 -7.915 -11.887 1.00 0.00 C ATOM 390 OH TYR A 26 0.591 -8.495 -13.099 1.00 0.00 O ATOM 0 H TYR A 26 -0.800 -4.563 -7.542 1.00 0.00 H new ATOM 0 HA TYR A 26 0.264 -7.216 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.752 -4.971 -8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.449 -6.455 -7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.394 -4.947 -10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.106 -8.613 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.032 -5.999 -12.469 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.699 -9.671 -11.015 1.00 0.00 H new ATOM 0 HH TYR A 26 0.660 -7.816 -13.802 1.00 0.00 H new ATOM 400 N PHE A 27 1.338 -5.938 -4.850 1.00 0.00 N ATOM 401 CA PHE A 27 1.724 -5.261 -3.628 1.00 0.00 C ATOM 402 C PHE A 27 3.185 -5.573 -3.390 1.00 0.00 C ATOM 403 O PHE A 27 3.545 -6.723 -3.159 1.00 0.00 O ATOM 404 CB PHE A 27 0.825 -5.667 -2.459 1.00 0.00 C ATOM 405 CG PHE A 27 -0.606 -5.198 -2.611 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.882 -3.826 -2.535 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.653 -6.104 -2.854 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.192 -3.355 -2.695 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.958 -5.627 -3.061 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.227 -4.251 -2.999 1.00 0.00 C ATOM 0 H PHE A 27 1.643 -6.910 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 27 1.596 -4.182 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.836 -6.753 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.237 -5.260 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.079 -3.127 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.454 -7.165 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.405 -2.302 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.758 -6.322 -3.269 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.226 -3.884 -3.184 1.00 0.00 H new ATOM 420 N ILE A 28 4.029 -4.563 -3.535 1.00 0.00 N ATOM 421 CA ILE A 28 5.456 -4.688 -3.308 1.00 0.00 C ATOM 422 C ILE A 28 5.661 -4.454 -1.828 1.00 0.00 C ATOM 423 O ILE A 28 5.100 -3.505 -1.287 1.00 0.00 O ATOM 424 CB ILE A 28 6.239 -3.719 -4.207 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.720 -3.717 -5.656 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.718 -4.102 -4.160 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.561 -5.090 -6.316 1.00 0.00 C ATOM 0 H ILE A 28 3.738 -3.627 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 28 5.839 -5.673 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 28 6.100 -2.705 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.753 -3.214 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.401 -3.121 -6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.290 -3.424 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.080 -4.032 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.841 -5.124 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.190 -4.964 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.527 -5.595 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.853 -5.689 -5.743 1.00 0.00 H new ATOM 439 N ILE A 29 6.379 -5.345 -1.158 1.00 0.00 N ATOM 440 CA ILE A 29 6.502 -5.326 0.290 1.00 0.00 C ATOM 441 C ILE A 29 7.979 -5.276 0.599 1.00 0.00 C ATOM 442 O ILE A 29 8.680 -6.257 0.383 1.00 0.00 O ATOM 443 CB ILE A 29 5.782 -6.510 0.957 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.337 -6.610 0.442 1.00 0.00 C ATOM 445 CG2 ILE A 29 5.784 -6.321 2.477 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.603 -7.831 0.983 1.00 0.00 C ATOM 0 H ILE A 29 6.894 -6.103 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 29 6.005 -4.450 0.708 1.00 0.00 H new ATOM 0 HB ILE A 29 6.306 -7.433 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.792 -5.709 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.346 -6.650 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.273 -7.161 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.812 -6.273 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.268 -5.395 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.588 -7.851 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.129 -8.736 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.567 -7.781 2.071 1.00 0.00 H new ATOM 458 N TYR A 30 8.447 -4.112 1.023 1.00 0.00 N ATOM 459 CA TYR A 30 9.847 -3.826 1.341 1.00 0.00 C ATOM 460 C TYR A 30 10.089 -4.106 2.831 1.00 0.00 C ATOM 461 O TYR A 30 9.465 -3.483 3.696 1.00 0.00 O ATOM 462 CB TYR A 30 10.127 -2.342 1.023 1.00 0.00 C ATOM 463 CG TYR A 30 11.595 -1.981 1.020 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.423 -2.447 -0.017 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.148 -1.281 2.108 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.818 -2.301 0.082 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.537 -1.090 2.189 1.00 0.00 C ATOM 468 CZ TYR A 30 14.373 -1.608 1.176 1.00 0.00 C ATOM 469 OH TYR A 30 15.721 -1.586 1.339 1.00 0.00 O ATOM 0 H TYR A 30 7.840 -3.304 1.162 1.00 0.00 H new ATOM 0 HA TYR A 30 10.513 -4.456 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.703 -2.104 0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.612 -1.720 1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.988 -2.916 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.504 -0.890 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.462 -2.719 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.963 -0.550 3.021 1.00 0.00 H new ATOM 0 HH TYR A 30 15.945 -1.066 2.139 1.00 0.00 H new ATOM 479 N ASP A 31 10.964 -5.068 3.118 1.00 0.00 N ATOM 480 CA ASP A 31 11.328 -5.595 4.434 1.00 0.00 C ATOM 481 C ASP A 31 12.480 -4.804 5.074 1.00 0.00 C ATOM 482 O ASP A 31 13.649 -5.016 4.711 1.00 0.00 O ATOM 483 CB ASP A 31 11.750 -7.069 4.264 1.00 0.00 C ATOM 484 CG ASP A 31 11.283 -7.954 5.407 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.207 -7.455 6.547 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.974 -9.138 5.135 1.00 0.00 O ATOM 0 H ASP A 31 11.480 -5.539 2.375 1.00 0.00 H new ATOM 0 HA ASP A 31 10.466 -5.505 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.346 -7.451 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.836 -7.124 4.189 1.00 0.00 H new ATOM 491 N THR A 32 12.232 -3.860 5.988 1.00 0.00 N ATOM 492 CA THR A 32 13.327 -3.105 6.616 1.00 0.00 C ATOM 493 C THR A 32 13.989 -3.977 7.706 1.00 0.00 C ATOM 494 O THR A 32 14.001 -3.632 8.887 1.00 0.00 O ATOM 495 CB THR A 32 12.901 -1.688 7.059 1.00 0.00 C ATOM 496 OG1 THR A 32 11.828 -1.636 7.973 1.00 0.00 O ATOM 497 CG2 THR A 32 12.498 -0.840 5.851 1.00 0.00 C ATOM 0 H THR A 32 11.298 -3.601 6.307 1.00 0.00 H new ATOM 0 HA THR A 32 14.100 -2.895 5.877 1.00 0.00 H new ATOM 0 HB THR A 32 13.786 -1.302 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.632 -0.702 8.195 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.202 0.154 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.343 -0.755 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.662 -1.314 5.337 1.00 0.00 H new ATOM 505 N GLU A 33 14.488 -5.149 7.302 1.00 0.00 N ATOM 506 CA GLU A 33 15.195 -6.132 8.110 1.00 0.00 C ATOM 507 C GLU A 33 16.244 -6.888 7.305 1.00 0.00 C ATOM 508 O GLU A 33 17.201 -7.374 7.915 1.00 0.00 O ATOM 509 CB GLU A 33 14.226 -7.140 8.758 1.00 0.00 C ATOM 510 CG GLU A 33 13.744 -6.705 10.149 1.00 0.00 C ATOM 511 CD GLU A 33 13.932 -7.828 11.175 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.022 -7.910 11.781 1.00 0.00 O ATOM 513 OE2 GLU A 33 12.997 -8.645 11.364 1.00 0.00 O ATOM 0 H GLU A 33 14.399 -5.452 6.332 1.00 0.00 H new ATOM 0 HA GLU A 33 15.699 -5.569 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.362 -7.274 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.719 -8.109 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.296 -5.821 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.692 -6.424 10.101 1.00 0.00 H new ATOM 520 N SER A 34 16.149 -6.951 5.971 1.00 0.00 N ATOM 521 CA SER A 34 17.351 -7.246 5.202 1.00 0.00 C ATOM 522 C SER A 34 17.305 -6.711 3.760 1.00 0.00 C ATOM 523 O SER A 34 17.987 -7.249 2.888 1.00 0.00 O ATOM 524 CB SER A 34 17.478 -8.790 5.186 1.00 0.00 C ATOM 525 OG SER A 34 18.820 -9.251 5.217 1.00 0.00 O ATOM 0 H SER A 34 15.297 -6.809 5.429 1.00 0.00 H new ATOM 0 HA SER A 34 18.205 -6.753 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.942 -9.199 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.991 -9.177 4.291 1.00 0.00 H new ATOM 0 HG SER A 34 18.830 -10.231 5.206 1.00 0.00 H new ATOM 531 N GLY A 35 16.694 -5.545 3.523 1.00 0.00 N ATOM 532 CA GLY A 35 16.547 -4.962 2.182 1.00 0.00 C ATOM 533 C GLY A 35 15.771 -5.833 1.190 1.00 0.00 C ATOM 534 O GLY A 35 15.691 -5.461 0.017 1.00 0.00 O ATOM 0 H GLY A 35 16.284 -4.974 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.043 -4.000 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.539 -4.766 1.775 1.00 0.00 H new ATOM 538 N ASN A 36 15.187 -6.947 1.649 1.00 0.00 N ATOM 539 CA ASN A 36 14.395 -7.845 0.823 1.00 0.00 C ATOM 540 C ASN A 36 13.107 -7.150 0.421 1.00 0.00 C ATOM 541 O ASN A 36 12.621 -6.246 1.104 1.00 0.00 O ATOM 542 CB ASN A 36 14.045 -9.154 1.565 1.00 0.00 C ATOM 543 CG ASN A 36 15.237 -10.082 1.738 1.00 0.00 C ATOM 544 OD1 ASN A 36 16.370 -9.703 1.479 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.035 -11.307 2.187 1.00 0.00 N ATOM 0 H ASN A 36 15.257 -7.248 2.621 1.00 0.00 H new ATOM 0 HA ASN A 36 14.989 -8.100 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.637 -8.910 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.262 -9.677 1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.825 -11.939 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.089 -11.622 2.403 1.00 0.00 H new ATOM 552 N VAL A 37 12.510 -7.625 -0.656 1.00 0.00 N ATOM 553 CA VAL A 37 11.205 -7.247 -1.129 1.00 0.00 C ATOM 554 C VAL A 37 10.401 -8.532 -1.377 1.00 0.00 C ATOM 555 O VAL A 37 10.921 -9.648 -1.263 1.00 0.00 O ATOM 556 CB VAL A 37 11.329 -6.319 -2.358 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.127 -5.373 -2.437 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.585 -5.428 -2.356 1.00 0.00 C ATOM 0 H VAL A 37 12.953 -8.324 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 37 10.659 -6.660 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 37 11.385 -6.999 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.230 -4.726 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.210 -5.956 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.084 -4.763 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.593 -4.809 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.576 -4.788 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.476 -6.055 -2.340 1.00 0.00 H new ATOM 568 N GLU A 38 9.124 -8.400 -1.693 1.00 0.00 N ATOM 569 CA GLU A 38 8.225 -9.437 -2.162 1.00 0.00 C ATOM 570 C GLU A 38 7.305 -8.735 -3.159 1.00 0.00 C ATOM 571 O GLU A 38 6.873 -7.617 -2.877 1.00 0.00 O ATOM 572 CB GLU A 38 7.443 -9.992 -0.954 1.00 0.00 C ATOM 573 CG GLU A 38 6.201 -10.833 -1.291 1.00 0.00 C ATOM 574 CD GLU A 38 6.498 -12.140 -2.031 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.125 -12.097 -3.110 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.031 -13.199 -1.547 1.00 0.00 O ATOM 0 H GLU A 38 8.655 -7.497 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 38 8.732 -10.280 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.120 -10.602 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.133 -9.154 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.674 -11.066 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.525 -10.232 -1.899 1.00 0.00 H new ATOM 583 N VAL A 39 6.973 -9.382 -4.276 1.00 0.00 N ATOM 584 CA VAL A 39 5.861 -9.005 -5.137 1.00 0.00 C ATOM 585 C VAL A 39 4.713 -9.942 -4.775 1.00 0.00 C ATOM 586 O VAL A 39 4.696 -11.108 -5.190 1.00 0.00 O ATOM 587 CB VAL A 39 6.199 -9.108 -6.644 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.048 -8.545 -7.498 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.516 -8.431 -7.037 1.00 0.00 C ATOM 0 H VAL A 39 7.483 -10.199 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 39 5.605 -7.958 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 39 6.328 -10.172 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.305 -8.626 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.138 -9.112 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.885 -7.498 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.680 -8.548 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.467 -7.370 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.339 -8.892 -6.492 1.00 0.00 H new ATOM 599 N VAL A 40 3.732 -9.431 -4.041 1.00 0.00 N ATOM 600 CA VAL A 40 2.429 -10.063 -3.930 1.00 0.00 C ATOM 601 C VAL A 40 1.681 -9.707 -5.215 1.00 0.00 C ATOM 602 O VAL A 40 1.825 -8.607 -5.749 1.00 0.00 O ATOM 603 CB VAL A 40 1.729 -9.534 -2.659 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.195 -9.581 -2.705 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.208 -10.319 -1.431 1.00 0.00 C ATOM 0 H VAL A 40 3.820 -8.566 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 40 2.478 -11.147 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 40 2.007 -8.482 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.209 -9.190 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.163 -8.975 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.134 -10.612 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.709 -9.939 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.969 -11.375 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.286 -10.201 -1.322 1.00 0.00 H new ATOM 615 N GLU A 41 0.859 -10.632 -5.695 1.00 0.00 N ATOM 616 CA GLU A 41 -0.105 -10.443 -6.767 1.00 0.00 C ATOM 617 C GLU A 41 -1.479 -10.382 -6.092 1.00 0.00 C ATOM 618 O GLU A 41 -1.701 -11.065 -5.084 1.00 0.00 O ATOM 619 CB GLU A 41 0.035 -11.654 -7.697 1.00 0.00 C ATOM 620 CG GLU A 41 -0.868 -11.644 -8.935 1.00 0.00 C ATOM 621 CD GLU A 41 -0.712 -12.957 -9.709 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.869 -14.046 -9.108 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.472 -12.942 -10.936 1.00 0.00 O ATOM 0 H GLU A 41 0.848 -11.583 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 41 0.042 -9.537 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.072 -11.719 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.175 -12.557 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.908 -11.510 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.610 -10.801 -9.577 1.00 0.00 H new ATOM 630 N ASN A 42 -2.414 -9.562 -6.581 1.00 0.00 N ATOM 631 CA ASN A 42 -3.745 -9.498 -5.982 1.00 0.00 C ATOM 632 C ASN A 42 -4.764 -9.020 -7.001 1.00 0.00 C ATOM 633 O ASN A 42 -4.576 -7.987 -7.638 1.00 0.00 O ATOM 634 CB ASN A 42 -3.740 -8.559 -4.770 1.00 0.00 C ATOM 635 CG ASN A 42 -4.510 -9.107 -3.574 1.00 0.00 C ATOM 636 OD1 ASN A 42 -4.052 -8.950 -2.450 1.00 0.00 O ATOM 637 ND2 ASN A 42 -5.635 -9.789 -3.723 1.00 0.00 N ATOM 0 H ASN A 42 -2.275 -8.942 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.021 -10.500 -5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.709 -8.368 -4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.170 -7.601 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.109 -10.176 -2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.028 -9.927 -4.654 1.00 0.00 H new ATOM 754 N PRO A 52 -11.089 -8.375 3.999 1.00 0.00 N ATOM 755 CA PRO A 52 -10.157 -7.504 3.303 1.00 0.00 C ATOM 756 C PRO A 52 -9.527 -8.180 2.083 1.00 0.00 C ATOM 757 O PRO A 52 -9.245 -7.496 1.098 1.00 0.00 O ATOM 758 CB PRO A 52 -9.107 -7.132 4.336 1.00 0.00 C ATOM 759 CG PRO A 52 -9.118 -8.302 5.313 1.00 0.00 C ATOM 760 CD PRO A 52 -10.595 -8.677 5.334 1.00 0.00 C ATOM 0 HA PRO A 52 -10.666 -6.626 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.126 -7.003 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.352 -6.194 4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.492 -9.126 4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.755 -8.014 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.729 -9.732 5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.134 -8.107 6.091 1.00 0.00 H new ATOM 768 N LYS A 53 -9.298 -9.500 2.127 1.00 0.00 N ATOM 769 CA LYS A 53 -8.515 -10.290 1.172 1.00 0.00 C ATOM 770 C LYS A 53 -7.064 -9.803 1.110 1.00 0.00 C ATOM 771 O LYS A 53 -6.179 -10.460 1.655 1.00 0.00 O ATOM 772 CB LYS A 53 -9.230 -10.364 -0.195 1.00 0.00 C ATOM 773 CG LYS A 53 -10.577 -11.102 -0.094 1.00 0.00 C ATOM 774 CD LYS A 53 -11.485 -10.906 -1.315 1.00 0.00 C ATOM 775 CE LYS A 53 -12.309 -9.608 -1.343 1.00 0.00 C ATOM 776 NZ LYS A 53 -13.343 -9.562 -0.286 1.00 0.00 N ATOM 0 H LYS A 53 -9.678 -10.078 2.877 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.452 -11.321 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.395 -9.356 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.589 -10.874 -0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.388 -12.167 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.103 -10.758 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.866 -10.939 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.172 -11.750 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.640 -8.756 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.787 -9.508 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.922 -8.706 -0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.950 -10.404 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.885 -9.544 0.647 1.00 0.00 H new ATOM 790 N VAL A 54 -6.816 -8.642 0.507 1.00 0.00 N ATOM 791 CA VAL A 54 -5.509 -8.005 0.413 1.00 0.00 C ATOM 792 C VAL A 54 -4.887 -7.843 1.802 1.00 0.00 C ATOM 793 O VAL A 54 -3.873 -8.464 2.091 1.00 0.00 O ATOM 794 CB VAL A 54 -5.595 -6.695 -0.405 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.894 -5.886 -0.267 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.380 -5.803 -0.161 1.00 0.00 C ATOM 0 H VAL A 54 -7.551 -8.100 0.053 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.826 -8.649 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.603 -7.045 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.833 -4.992 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.738 -6.495 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.033 -5.597 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.473 -4.891 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.324 -5.546 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.474 -6.334 -0.454 1.00 0.00 H new ATOM 806 N VAL A 55 -5.502 -7.030 2.661 1.00 0.00 N ATOM 807 CA VAL A 55 -5.032 -6.702 4.010 1.00 0.00 C ATOM 808 C VAL A 55 -4.797 -7.986 4.778 1.00 0.00 C ATOM 809 O VAL A 55 -3.700 -8.108 5.282 1.00 0.00 O ATOM 810 CB VAL A 55 -5.974 -5.675 4.678 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.290 -4.860 5.766 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.556 -4.675 3.650 1.00 0.00 C ATOM 0 H VAL A 55 -6.378 -6.562 2.428 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.067 -6.195 3.986 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.768 -6.276 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.003 -4.157 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.924 -5.528 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.453 -4.310 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.213 -3.970 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.742 -4.131 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.124 -5.219 2.895 1.00 0.00 H new ATOM 822 N GLN A 56 -5.693 -8.981 4.751 1.00 0.00 N ATOM 823 CA GLN A 56 -5.444 -10.258 5.418 1.00 0.00 C ATOM 824 C GLN A 56 -4.089 -10.871 5.012 1.00 0.00 C ATOM 825 O GLN A 56 -3.344 -11.333 5.881 1.00 0.00 O ATOM 826 CB GLN A 56 -6.608 -11.234 5.179 1.00 0.00 C ATOM 827 CG GLN A 56 -7.644 -11.160 6.313 1.00 0.00 C ATOM 828 CD GLN A 56 -7.312 -12.111 7.450 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.532 -11.788 8.342 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.926 -13.275 7.472 1.00 0.00 N ATOM 0 H GLN A 56 -6.593 -8.923 4.275 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.385 -10.064 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.089 -11.003 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.222 -12.251 5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.691 -10.140 6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.632 -11.398 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.570 -13.526 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.757 -13.926 8.239 1.00 0.00 H new ATOM 839 N SER A 57 -3.744 -10.828 3.721 1.00 0.00 N ATOM 840 CA SER A 57 -2.468 -11.310 3.218 1.00 0.00 C ATOM 841 C SER A 57 -1.336 -10.408 3.707 1.00 0.00 C ATOM 842 O SER A 57 -0.413 -10.883 4.358 1.00 0.00 O ATOM 843 CB SER A 57 -2.522 -11.397 1.684 1.00 0.00 C ATOM 844 OG SER A 57 -1.477 -12.188 1.157 1.00 0.00 O ATOM 0 H SER A 57 -4.354 -10.453 2.994 1.00 0.00 H new ATOM 0 HA SER A 57 -2.269 -12.311 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.481 -11.815 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.464 -10.393 1.263 1.00 0.00 H new ATOM 0 HG SER A 57 -1.550 -12.218 0.180 1.00 0.00 H new ATOM 850 N LEU A 58 -1.391 -9.102 3.445 1.00 0.00 N ATOM 851 CA LEU A 58 -0.321 -8.160 3.784 1.00 0.00 C ATOM 852 C LEU A 58 -0.002 -8.210 5.283 1.00 0.00 C ATOM 853 O LEU A 58 1.154 -8.333 5.679 1.00 0.00 O ATOM 854 CB LEU A 58 -0.734 -6.748 3.338 1.00 0.00 C ATOM 855 CG LEU A 58 -0.936 -6.579 1.818 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.456 -5.176 1.497 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.345 -6.830 1.032 1.00 0.00 C ATOM 0 H LEU A 58 -2.189 -8.662 2.986 1.00 0.00 H new ATOM 0 HA LEU A 58 0.591 -8.440 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.661 -6.479 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.027 -6.041 3.669 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.670 -7.326 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.592 -5.076 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.410 -5.018 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.737 -4.434 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.150 -6.699 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.112 -6.124 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.691 -7.847 1.215 1.00 0.00 H new ATOM 869 N VAL A 59 -1.033 -8.207 6.119 1.00 0.00 N ATOM 870 CA VAL A 59 -0.976 -8.391 7.562 1.00 0.00 C ATOM 871 C VAL A 59 -0.294 -9.718 7.934 1.00 0.00 C ATOM 872 O VAL A 59 0.420 -9.772 8.940 1.00 0.00 O ATOM 873 CB VAL A 59 -2.430 -8.283 8.076 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.675 -8.923 9.444 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.874 -6.817 8.150 1.00 0.00 C ATOM 0 H VAL A 59 -1.987 -8.068 5.787 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.362 -7.627 8.039 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.017 -8.842 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.722 -8.798 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.437 -9.986 9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.042 -8.442 10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.900 -6.766 8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.220 -6.273 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.818 -6.369 7.158 1.00 0.00 H new ATOM 885 N SER A 60 -0.451 -10.781 7.138 1.00 0.00 N ATOM 886 CA SER A 60 0.251 -12.032 7.370 1.00 0.00 C ATOM 887 C SER A 60 1.755 -11.832 7.151 1.00 0.00 C ATOM 888 O SER A 60 2.532 -12.306 7.978 1.00 0.00 O ATOM 889 CB SER A 60 -0.278 -13.164 6.486 1.00 0.00 C ATOM 890 OG SER A 60 -1.667 -13.372 6.671 1.00 0.00 O ATOM 0 H SER A 60 -1.065 -10.792 6.323 1.00 0.00 H new ATOM 0 HA SER A 60 0.072 -12.328 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.082 -12.930 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.261 -14.084 6.713 1.00 0.00 H new ATOM 0 HG SER A 60 -2.155 -12.556 6.433 1.00 0.00 H new ATOM 896 N LYS A 61 2.170 -11.050 6.140 1.00 0.00 N ATOM 897 CA LYS A 61 3.573 -10.682 5.908 1.00 0.00 C ATOM 898 C LYS A 61 3.963 -9.490 6.796 1.00 0.00 C ATOM 899 O LYS A 61 4.751 -8.639 6.397 1.00 0.00 O ATOM 900 CB LYS A 61 3.799 -10.323 4.418 1.00 0.00 C ATOM 901 CG LYS A 61 3.569 -11.457 3.405 1.00 0.00 C ATOM 902 CD LYS A 61 2.123 -11.602 2.916 1.00 0.00 C ATOM 903 CE LYS A 61 1.973 -12.266 1.541 1.00 0.00 C ATOM 904 NZ LYS A 61 2.704 -13.542 1.426 1.00 0.00 N ATOM 0 H LYS A 61 1.530 -10.651 5.453 1.00 0.00 H new ATOM 0 HA LYS A 61 4.200 -11.536 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.139 -9.495 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.821 -9.963 4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.214 -11.290 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.880 -12.398 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.563 -12.184 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.666 -10.613 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.916 -12.442 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.331 -11.580 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.508 -13.972 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.725 -13.367 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.395 -14.188 2.180 1.00 0.00 H new ATOM 918 N GLY A 62 3.463 -9.453 8.029 1.00 0.00 N ATOM 919 CA GLY A 62 3.776 -8.485 9.067 1.00 0.00 C ATOM 920 C GLY A 62 3.874 -7.022 8.625 1.00 0.00 C ATOM 921 O GLY A 62 4.671 -6.283 9.208 1.00 0.00 O ATOM 0 H GLY A 62 2.785 -10.145 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.014 -8.557 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.724 -8.768 9.524 1.00 0.00 H new ATOM 925 N VAL A 63 3.129 -6.611 7.597 1.00 0.00 N ATOM 926 CA VAL A 63 3.137 -5.261 7.052 1.00 0.00 C ATOM 927 C VAL A 63 2.584 -4.313 8.116 1.00 0.00 C ATOM 928 O VAL A 63 1.423 -4.446 8.505 1.00 0.00 O ATOM 929 CB VAL A 63 2.334 -5.268 5.738 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.074 -3.865 5.194 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.098 -6.027 4.651 1.00 0.00 C ATOM 0 H VAL A 63 2.484 -7.232 7.108 1.00 0.00 H new ATOM 0 HA VAL A 63 4.139 -4.910 6.807 1.00 0.00 H new ATOM 0 HB VAL A 63 1.384 -5.745 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.504 -3.934 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.507 -3.290 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.025 -3.368 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.518 -6.023 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.059 -5.544 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.262 -7.056 4.972 1.00 0.00 H new ATOM 941 N GLU A 64 3.385 -3.341 8.556 1.00 0.00 N ATOM 942 CA GLU A 64 2.984 -2.334 9.540 1.00 0.00 C ATOM 943 C GLU A 64 3.090 -0.918 8.956 1.00 0.00 C ATOM 944 O GLU A 64 3.269 0.065 9.672 1.00 0.00 O ATOM 945 CB GLU A 64 3.979 -2.444 10.706 1.00 0.00 C ATOM 946 CG GLU A 64 3.762 -3.652 11.623 1.00 0.00 C ATOM 947 CD GLU A 64 4.237 -3.282 13.029 1.00 0.00 C ATOM 948 OE1 GLU A 64 5.471 -3.277 13.263 1.00 0.00 O ATOM 949 OE2 GLU A 64 3.408 -2.814 13.839 1.00 0.00 O ATOM 0 H GLU A 64 4.346 -3.230 8.233 1.00 0.00 H new ATOM 0 HA GLU A 64 1.952 -2.504 9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.989 -2.491 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.918 -1.535 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.708 -3.931 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.314 -4.515 11.251 1.00 0.00 H new ATOM 956 N TYR A 65 2.787 -0.738 7.678 1.00 0.00 N ATOM 957 CA TYR A 65 3.083 0.472 6.948 1.00 0.00 C ATOM 958 C TYR A 65 2.522 0.303 5.549 1.00 0.00 C ATOM 959 O TYR A 65 2.173 -0.802 5.117 1.00 0.00 O ATOM 960 CB TYR A 65 4.591 0.679 6.824 1.00 0.00 C ATOM 961 CG TYR A 65 5.284 1.482 7.891 1.00 0.00 C ATOM 962 CD1 TYR A 65 4.944 2.820 8.149 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.320 0.876 8.596 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.545 3.493 9.229 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.909 1.522 9.697 1.00 0.00 C ATOM 966 CZ TYR A 65 6.480 2.822 10.050 1.00 0.00 C ATOM 967 OH TYR A 65 6.954 3.433 11.171 1.00 0.00 O ATOM 0 H TYR A 65 2.319 -1.448 7.114 1.00 0.00 H new ATOM 0 HA TYR A 65 2.650 1.325 7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.061 -0.304 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.784 1.160 5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.226 3.329 7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.674 -0.099 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.292 4.523 9.431 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.682 1.030 10.268 1.00 0.00 H new ATOM 0 HH TYR A 65 7.587 2.838 11.625 1.00 0.00 H new ATOM 977 N LEU A 66 2.489 1.398 4.808 1.00 0.00 N ATOM 978 CA LEU A 66 1.966 1.446 3.461 1.00 0.00 C ATOM 979 C LEU A 66 2.322 2.785 2.852 1.00 0.00 C ATOM 980 O LEU A 66 2.422 3.769 3.576 1.00 0.00 O ATOM 981 CB LEU A 66 0.452 1.298 3.575 1.00 0.00 C ATOM 982 CG LEU A 66 -0.404 1.645 2.365 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.077 0.892 1.074 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.868 1.319 2.658 1.00 0.00 C ATOM 0 H LEU A 66 2.835 2.299 5.139 1.00 0.00 H new ATOM 0 HA LEU A 66 2.379 0.658 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.239 0.264 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.120 1.920 4.406 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.198 2.703 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.749 1.220 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.954 1.097 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.202 -0.179 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.477 1.569 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.967 0.256 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.205 1.899 3.517 1.00 0.00 H new ATOM 996 N ILE A 67 2.419 2.832 1.531 1.00 0.00 N ATOM 997 CA ILE A 67 2.569 4.028 0.726 1.00 0.00 C ATOM 998 C ILE A 67 1.473 3.983 -0.327 1.00 0.00 C ATOM 999 O ILE A 67 1.533 3.148 -1.224 1.00 0.00 O ATOM 1000 CB ILE A 67 3.967 3.978 0.081 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.073 4.080 1.165 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.177 5.168 -0.862 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.403 3.449 0.766 1.00 0.00 C ATOM 0 H ILE A 67 2.393 1.985 0.963 1.00 0.00 H new ATOM 0 HA ILE A 67 2.483 4.949 1.303 1.00 0.00 H new ATOM 0 HB ILE A 67 4.029 3.034 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.239 5.131 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.716 3.602 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.171 5.110 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.426 5.143 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.083 6.098 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.119 3.565 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.256 2.389 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.786 3.942 -0.127 1.00 0.00 H new ATOM 1015 N ALA A 68 0.434 4.800 -0.199 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.714 4.787 -1.091 1.00 0.00 C ATOM 1017 C ALA A 68 -1.428 6.126 -1.031 1.00 0.00 C ATOM 1018 O ALA A 68 -1.871 6.543 0.036 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.704 3.719 -0.644 1.00 0.00 C ATOM 0 H ALA A 68 0.367 5.500 0.540 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.361 4.584 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.562 3.714 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.220 2.742 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.039 3.935 0.370 1.00 0.00 H new ATOM 1025 N SER A 69 -1.620 6.763 -2.178 1.00 0.00 N ATOM 1026 CA SER A 69 -2.205 8.100 -2.233 1.00 0.00 C ATOM 1027 C SER A 69 -3.617 8.180 -1.656 1.00 0.00 C ATOM 1028 O SER A 69 -4.038 9.244 -1.211 1.00 0.00 O ATOM 1029 CB SER A 69 -2.229 8.596 -3.675 1.00 0.00 C ATOM 1030 OG SER A 69 -2.915 7.698 -4.510 1.00 0.00 O ATOM 0 H SER A 69 -1.378 6.374 -3.089 1.00 0.00 H new ATOM 0 HA SER A 69 -1.571 8.732 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.708 9.574 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.208 8.724 -4.035 1.00 0.00 H new ATOM 0 HG SER A 69 -3.056 8.110 -5.388 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.351 7.070 -1.715 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.767 6.962 -1.445 1.00 0.00 C ATOM 1038 C ASN A 70 -6.051 5.475 -1.284 1.00 0.00 C ATOM 1039 O ASN A 70 -5.159 4.626 -1.450 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.568 7.506 -2.648 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.139 8.885 -2.349 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -7.878 9.040 -1.379 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -6.852 9.884 -3.166 1.00 0.00 N ATOM 0 H ASN A 70 -3.939 6.172 -1.969 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.050 7.529 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.922 7.559 -3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.378 6.818 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.247 10.809 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.236 9.729 -3.964 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.305 5.118 -1.034 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.708 3.733 -0.932 1.00 0.00 C ATOM 1052 C VAL A 71 -8.860 3.450 -1.894 1.00 0.00 C ATOM 1053 O VAL A 71 -9.427 4.337 -2.521 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.897 3.401 0.558 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.107 4.065 1.195 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.937 1.902 0.830 1.00 0.00 C ATOM 0 H VAL A 71 -8.065 5.784 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.950 3.028 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.009 3.821 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.168 3.779 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.010 5.148 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.012 3.744 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.072 1.729 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.767 1.455 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.001 1.448 0.505 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.113 2.160 -2.078 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.107 1.613 -2.988 1.00 0.00 C ATOM 1068 C GLY A 72 -11.525 1.610 -2.414 1.00 0.00 C ATOM 1069 O GLY A 72 -12.414 1.274 -3.180 1.00 0.00 O ATOM 0 H GLY A 72 -8.606 1.434 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.099 2.191 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.827 0.592 -3.248 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.729 1.888 -1.111 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.941 2.307 -0.369 1.00 0.00 C ATOM 1075 C ARG A 73 -13.008 1.709 1.025 1.00 0.00 C ATOM 1076 O ARG A 73 -13.039 2.434 2.017 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.288 2.323 -1.126 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.927 1.054 -1.739 1.00 0.00 C ATOM 1079 CD ARG A 73 -15.709 1.356 -3.047 1.00 0.00 C ATOM 1080 NE ARG A 73 -14.922 2.158 -4.014 1.00 0.00 N ATOM 1081 CZ ARG A 73 -14.684 1.956 -5.313 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -15.349 1.046 -6.011 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -13.747 2.685 -5.905 1.00 0.00 N ATOM 0 H ARG A 73 -10.942 1.814 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.784 3.379 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.024 2.738 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.176 3.037 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.147 0.322 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.602 0.603 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.002 0.416 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.627 1.890 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.494 2.998 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.064 0.478 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.145 0.914 -7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.227 3.380 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.546 2.550 -6.896 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.015 0.386 1.108 1.00 0.00 N ATOM 1098 CA ASN A 74 -12.783 -0.372 2.338 1.00 0.00 C ATOM 1099 C ASN A 74 -11.281 -0.368 2.656 1.00 0.00 C ATOM 1100 O ASN A 74 -10.548 0.502 2.187 1.00 0.00 O ATOM 1101 CB ASN A 74 -13.322 -1.798 2.157 1.00 0.00 C ATOM 1102 CG ASN A 74 -12.577 -2.542 1.065 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -12.694 -2.169 -0.099 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -11.805 -3.559 1.394 1.00 0.00 N ATOM 0 H ASN A 74 -13.187 -0.211 0.299 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.307 0.084 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.232 -2.344 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.383 -1.758 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.285 -4.059 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.728 -3.846 2.370 1.00 0.00 H new ATOM 1111 N ALA A 75 -10.812 -1.328 3.463 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.417 -1.646 3.782 1.00 0.00 C ATOM 1113 C ALA A 75 -8.795 -0.683 4.788 1.00 0.00 C ATOM 1114 O ALA A 75 -8.018 -1.133 5.618 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.543 -1.742 2.525 1.00 0.00 C ATOM 0 H ALA A 75 -11.454 -1.954 3.950 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.449 -2.628 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.518 -1.979 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.928 -2.526 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.560 -0.789 1.996 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.131 0.606 4.748 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.600 1.634 5.641 1.00 0.00 C ATOM 1123 C PHE A 76 -8.815 1.269 7.105 1.00 0.00 C ATOM 1124 O PHE A 76 -7.881 1.352 7.895 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.247 2.962 5.257 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.060 4.134 6.197 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.879 4.901 6.155 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.105 4.513 7.057 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.762 6.069 6.930 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.984 5.668 7.844 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.826 6.458 7.768 1.00 0.00 C ATOM 0 H PHE A 76 -9.801 0.974 4.072 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.519 1.719 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.863 3.252 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.317 2.792 5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.059 4.591 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.002 3.914 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.862 6.664 6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.785 5.951 8.511 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.751 7.364 8.352 1.00 0.00 H new ATOM 1141 N GLU A 77 -9.999 0.773 7.447 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.349 0.349 8.797 1.00 0.00 C ATOM 1143 C GLU A 77 -9.522 -0.875 9.205 1.00 0.00 C ATOM 1144 O GLU A 77 -9.174 -1.062 10.372 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.848 0.010 8.840 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.780 1.198 8.553 1.00 0.00 C ATOM 1147 CD GLU A 77 -12.650 2.299 9.607 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -11.701 3.100 9.502 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -13.476 2.319 10.550 1.00 0.00 O ATOM 0 H GLU A 77 -10.759 0.652 6.778 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.133 1.156 9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.050 -0.777 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.088 -0.394 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.551 1.609 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.812 0.849 8.520 1.00 0.00 H new ATOM 1156 N THR A 78 -9.184 -1.722 8.238 1.00 0.00 N ATOM 1157 CA THR A 78 -8.371 -2.911 8.421 1.00 0.00 C ATOM 1158 C THR A 78 -6.877 -2.543 8.508 1.00 0.00 C ATOM 1159 O THR A 78 -6.086 -3.316 9.040 1.00 0.00 O ATOM 1160 CB THR A 78 -8.725 -3.915 7.297 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.091 -3.813 6.884 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.490 -5.346 7.763 1.00 0.00 C ATOM 0 H THR A 78 -9.482 -1.591 7.271 1.00 0.00 H new ATOM 0 HA THR A 78 -8.587 -3.400 9.371 1.00 0.00 H new ATOM 0 HB THR A 78 -8.078 -3.666 6.456 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.267 -4.464 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.744 -6.037 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.442 -5.473 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.116 -5.553 8.631 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.483 -1.348 8.048 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.105 -0.875 8.131 1.00 0.00 C ATOM 1172 C LEU A 79 -4.820 -0.429 9.561 1.00 0.00 C ATOM 1173 O LEU A 79 -3.981 -1.001 10.243 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.845 0.260 7.117 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.752 -0.238 5.652 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.962 0.879 4.601 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.407 -0.949 5.441 1.00 0.00 C ATOM 0 H LEU A 79 -7.118 -0.683 7.607 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.425 -1.687 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.645 0.997 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.917 0.768 7.381 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.573 -0.938 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.883 0.456 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.950 1.320 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.201 1.649 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.339 -1.300 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.592 -0.253 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.334 -1.799 6.120 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.519 0.588 10.049 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.354 1.094 11.402 1.00 0.00 C ATOM 1191 C LYS A 80 -5.543 0.038 12.477 1.00 0.00 C ATOM 1192 O LYS A 80 -4.847 0.105 13.492 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.298 2.267 11.630 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.741 2.100 11.105 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.332 3.399 10.546 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.486 3.942 9.394 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.616 5.062 9.799 1.00 0.00 N ATOM 0 H LYS A 80 -6.224 1.089 9.509 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.319 1.424 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.345 2.464 12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.864 3.151 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.752 1.338 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.376 1.738 11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.350 3.219 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.393 4.145 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.870 3.138 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.144 4.272 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.685 5.826 9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.918 5.418 10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.631 4.733 9.857 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.456 -0.914 12.281 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.632 -2.013 13.215 1.00 0.00 C ATOM 1213 C ALA A 81 -5.316 -2.774 13.387 1.00 0.00 C ATOM 1214 O ALA A 81 -4.859 -2.917 14.520 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.764 -2.916 12.741 1.00 0.00 C ATOM 0 H ALA A 81 -7.085 -0.941 11.478 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.910 -1.624 14.195 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.892 -3.739 13.445 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.688 -2.341 12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.523 -3.315 11.756 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.656 -3.195 12.299 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.380 -3.900 12.420 1.00 0.00 C ATOM 1223 C ALA A 82 -2.197 -2.917 12.562 1.00 0.00 C ATOM 1224 O ALA A 82 -1.086 -3.209 12.122 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.233 -4.766 11.155 1.00 0.00 C ATOM 0 H ALA A 82 -4.981 -3.061 11.341 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.368 -4.516 13.319 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.292 -5.315 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.062 -5.471 11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.240 -4.126 10.273 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.389 -1.794 13.266 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.390 -0.752 13.481 1.00 0.00 C ATOM 1233 C GLY A 83 -0.589 -0.348 12.239 1.00 0.00 C ATOM 1234 O GLY A 83 0.591 -0.003 12.364 1.00 0.00 O ATOM 0 H GLY A 83 -3.280 -1.583 13.716 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.890 0.133 13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.694 -1.092 14.248 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.189 -0.381 11.046 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.485 -0.227 9.779 1.00 0.00 C ATOM 1240 C VAL A 84 -0.451 1.262 9.417 1.00 0.00 C ATOM 1241 O VAL A 84 -1.490 1.847 9.079 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.150 -1.118 8.697 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.264 -1.383 7.483 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.526 -2.525 9.163 1.00 0.00 C ATOM 0 H VAL A 84 -2.194 -0.518 10.936 1.00 0.00 H new ATOM 0 HA VAL A 84 0.548 -0.566 9.854 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.029 -0.520 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.799 -2.013 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.006 -0.437 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.647 -1.889 7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.984 -3.071 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.630 -3.050 9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.233 -2.458 9.990 1.00 0.00 H new ATOM 1254 N LYS A 85 0.727 1.903 9.446 1.00 0.00 N ATOM 1255 CA LYS A 85 0.824 3.354 9.259 1.00 0.00 C ATOM 1256 C LYS A 85 0.757 3.705 7.769 1.00 0.00 C ATOM 1257 O LYS A 85 1.599 3.252 6.997 1.00 0.00 O ATOM 1258 CB LYS A 85 2.098 3.922 9.905 1.00 0.00 C ATOM 1259 CG LYS A 85 1.824 5.278 10.574 1.00 0.00 C ATOM 1260 CD LYS A 85 3.118 5.997 10.968 1.00 0.00 C ATOM 1261 CE LYS A 85 3.931 5.259 12.039 1.00 0.00 C ATOM 1262 NZ LYS A 85 5.245 5.896 12.281 1.00 0.00 N ATOM 0 H LYS A 85 1.622 1.439 9.597 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.026 3.816 9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.478 3.218 10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.873 4.037 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.252 5.909 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.209 5.127 11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.736 6.126 10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.873 6.994 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.364 5.234 12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.082 4.225 11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.003 5.260 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.299 6.791 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.357 6.086 13.297 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.284 4.375 7.295 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.492 4.609 5.858 1.00 0.00 C ATOM 1278 C VAL A 86 0.180 5.939 5.538 1.00 0.00 C ATOM 1279 O VAL A 86 -0.027 6.904 6.270 1.00 0.00 O ATOM 1280 CB VAL A 86 -2.004 4.623 5.559 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.256 4.739 4.043 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.710 3.357 6.094 1.00 0.00 C ATOM 0 H VAL A 86 -1.012 4.774 7.888 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.060 3.825 5.236 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.420 5.491 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.329 4.747 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.814 5.663 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.803 3.889 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.774 3.408 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.278 2.473 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.577 3.295 7.174 1.00 0.00 H new ATOM 1292 N TYR A 87 0.955 6.001 4.458 1.00 0.00 N ATOM 1293 CA TYR A 87 1.424 7.236 3.856 1.00 0.00 C ATOM 1294 C TYR A 87 0.657 7.517 2.583 1.00 0.00 C ATOM 1295 O TYR A 87 0.212 6.575 1.930 1.00 0.00 O ATOM 1296 CB TYR A 87 2.909 7.117 3.517 1.00 0.00 C ATOM 1297 CG TYR A 87 3.754 7.423 4.724 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.000 6.448 5.708 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.208 8.732 4.901 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.716 6.797 6.868 1.00 0.00 C ATOM 1301 CE2 TYR A 87 4.942 9.087 6.032 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.193 8.118 7.029 1.00 0.00 C ATOM 1303 OH TYR A 87 5.949 8.427 8.113 1.00 0.00 O ATOM 0 H TYR A 87 1.280 5.168 3.968 1.00 0.00 H new ATOM 0 HA TYR A 87 1.269 8.049 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.126 6.110 3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.159 7.803 2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.642 5.438 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.988 9.479 4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.901 6.058 7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.315 10.094 6.145 1.00 0.00 H new ATOM 0 HH TYR A 87 6.200 9.374 8.078 1.00 0.00 H new ATOM 1313 N ARG A 88 0.597 8.788 2.200 1.00 0.00 N ATOM 1314 CA ARG A 88 0.226 9.236 0.865 1.00 0.00 C ATOM 1315 C ARG A 88 1.460 9.061 -0.017 1.00 0.00 C ATOM 1316 O ARG A 88 2.577 8.960 0.483 1.00 0.00 O ATOM 1317 CB ARG A 88 -0.193 10.721 0.932 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.722 11.311 -0.393 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.137 11.905 -0.404 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.148 13.369 -0.488 1.00 0.00 N ATOM 1321 CZ ARG A 88 -1.703 14.136 -1.490 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -1.133 13.629 -2.582 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -1.856 15.444 -1.383 1.00 0.00 N ATOM 0 H ARG A 88 0.813 9.559 2.832 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.611 8.666 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.964 10.831 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.664 11.310 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.030 12.091 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.684 10.525 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.690 11.495 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.661 11.595 0.500 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.542 13.862 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.022 12.620 -2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.808 14.250 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.302 15.839 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.528 16.058 -2.128 1.00 0.00 H new ATOM 1337 N PHE A 89 1.262 9.066 -1.326 1.00 0.00 N ATOM 1338 CA PHE A 89 2.267 9.321 -2.345 1.00 0.00 C ATOM 1339 C PHE A 89 1.558 10.180 -3.419 1.00 0.00 C ATOM 1340 O PHE A 89 0.340 10.371 -3.320 1.00 0.00 O ATOM 1341 CB PHE A 89 2.849 7.959 -2.791 1.00 0.00 C ATOM 1342 CG PHE A 89 2.521 7.547 -4.215 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.171 7.353 -4.557 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.509 7.379 -5.202 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.781 7.099 -5.881 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.119 7.116 -6.520 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.764 6.993 -6.874 1.00 0.00 C ATOM 0 H PHE A 89 0.343 8.882 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 89 3.142 9.888 -2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.933 7.992 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.483 7.187 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.418 7.400 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.556 7.452 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.264 6.987 -6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.876 7.005 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.483 6.818 -7.902 1.00 0.00 H new ATOM 1357 N GLU A 90 2.242 10.716 -4.432 1.00 0.00 N ATOM 1358 CA GLU A 90 1.581 11.393 -5.554 1.00 0.00 C ATOM 1359 C GLU A 90 2.368 11.267 -6.857 1.00 0.00 C ATOM 1360 O GLU A 90 2.970 12.221 -7.360 1.00 0.00 O ATOM 1361 CB GLU A 90 1.184 12.841 -5.229 1.00 0.00 C ATOM 1362 CG GLU A 90 2.247 13.751 -4.583 1.00 0.00 C ATOM 1363 CD GLU A 90 1.720 15.180 -4.385 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.505 15.347 -4.104 1.00 0.00 O ATOM 1365 OE2 GLU A 90 2.497 16.151 -4.526 1.00 0.00 O ATOM 0 H GLU A 90 3.260 10.695 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 90 0.642 10.864 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.856 13.314 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.321 12.810 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.546 13.336 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.138 13.774 -5.211 1.00 0.00 H new ATOM 1372 N GLY A 91 2.298 10.074 -7.439 1.00 0.00 N ATOM 1373 CA GLY A 91 2.795 9.790 -8.773 1.00 0.00 C ATOM 1374 C GLY A 91 4.255 9.374 -8.726 1.00 0.00 C ATOM 1375 O GLY A 91 5.091 10.100 -8.186 1.00 0.00 O ATOM 0 H GLY A 91 1.884 9.262 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.200 8.997 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.683 10.672 -9.403 1.00 0.00 H new ATOM 1379 N GLY A 92 4.581 8.209 -9.279 1.00 0.00 N ATOM 1380 CA GLY A 92 5.892 7.613 -9.103 1.00 0.00 C ATOM 1381 C GLY A 92 5.858 6.123 -9.418 1.00 0.00 C ATOM 1382 O GLY A 92 4.776 5.525 -9.417 1.00 0.00 O ATOM 0 H GLY A 92 3.946 7.659 -9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.612 8.110 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.230 7.765 -8.078 1.00 0.00 H new ATOM 1386 N THR A 93 7.023 5.517 -9.645 1.00 0.00 N ATOM 1387 CA THR A 93 7.132 4.067 -9.690 1.00 0.00 C ATOM 1388 C THR A 93 7.244 3.488 -8.279 1.00 0.00 C ATOM 1389 O THR A 93 7.346 4.265 -7.324 1.00 0.00 O ATOM 1390 CB THR A 93 8.293 3.615 -10.585 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.557 3.845 -9.987 1.00 0.00 O ATOM 1392 CG2 THR A 93 8.209 4.174 -12.006 1.00 0.00 C ATOM 0 H THR A 93 7.902 6.011 -9.800 1.00 0.00 H new ATOM 0 HA THR A 93 6.218 3.676 -10.138 1.00 0.00 H new ATOM 0 HB THR A 93 8.188 2.535 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.265 3.540 -10.592 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.059 3.817 -12.588 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.283 3.840 -12.474 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.225 5.263 -11.970 1.00 0.00 H new ATOM 1400 N VAL A 94 7.237 2.150 -8.113 1.00 0.00 N ATOM 1401 CA VAL A 94 7.514 1.536 -6.819 1.00 0.00 C ATOM 1402 C VAL A 94 8.682 2.236 -6.132 1.00 0.00 C ATOM 1403 O VAL A 94 8.534 2.563 -4.962 1.00 0.00 O ATOM 1404 CB VAL A 94 7.825 0.044 -6.957 1.00 0.00 C ATOM 1405 CG1 VAL A 94 8.122 -0.600 -5.598 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.747 -0.776 -7.626 1.00 0.00 C ATOM 0 H VAL A 94 7.042 1.485 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 94 6.616 1.646 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 94 8.702 0.029 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.338 -1.659 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.983 -0.110 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.256 -0.489 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.061 -1.818 -7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.824 -0.703 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.577 -0.399 -8.635 1.00 0.00 H new ATOM 1416 N GLN A 95 9.807 2.483 -6.817 1.00 0.00 N ATOM 1417 CA GLN A 95 10.952 3.098 -6.160 1.00 0.00 C ATOM 1418 C GLN A 95 10.667 4.483 -5.595 1.00 0.00 C ATOM 1419 O GLN A 95 11.175 4.784 -4.527 1.00 0.00 O ATOM 1420 CB GLN A 95 12.192 3.134 -7.064 1.00 0.00 C ATOM 1421 CG GLN A 95 13.434 3.530 -6.241 1.00 0.00 C ATOM 1422 CD GLN A 95 14.734 3.365 -7.013 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.962 2.318 -7.626 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.611 4.353 -6.970 1.00 0.00 N ATOM 0 H GLN A 95 9.941 2.269 -7.805 1.00 0.00 H new ATOM 0 HA GLN A 95 11.162 2.449 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.346 2.157 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.040 3.847 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.336 4.568 -5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.474 2.921 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.393 5.206 -6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.505 4.262 -7.452 1.00 0.00 H new ATOM 1433 N GLU A 96 9.858 5.304 -6.248 1.00 0.00 N ATOM 1434 CA GLU A 96 9.558 6.666 -5.851 1.00 0.00 C ATOM 1435 C GLU A 96 8.798 6.632 -4.550 1.00 0.00 C ATOM 1436 O GLU A 96 9.146 7.376 -3.650 1.00 0.00 O ATOM 1437 CB GLU A 96 8.646 7.314 -6.884 1.00 0.00 C ATOM 1438 CG GLU A 96 9.286 7.557 -8.250 1.00 0.00 C ATOM 1439 CD GLU A 96 10.616 8.303 -8.198 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.694 9.332 -7.488 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.550 7.855 -8.901 1.00 0.00 O ATOM 0 H GLU A 96 9.375 5.026 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 96 10.490 7.224 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.768 6.682 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.295 8.268 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.441 6.596 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.590 8.123 -8.869 1.00 0.00 H new ATOM 1448 N ALA A 97 7.811 5.738 -4.407 1.00 0.00 N ATOM 1449 CA ALA A 97 7.147 5.531 -3.140 1.00 0.00 C ATOM 1450 C ALA A 97 8.164 5.378 -1.994 1.00 0.00 C ATOM 1451 O ALA A 97 7.927 5.886 -0.904 1.00 0.00 O ATOM 1452 CB ALA A 97 6.213 4.322 -3.296 1.00 0.00 C ATOM 0 H ALA A 97 7.463 5.150 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 97 6.549 6.400 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.695 4.138 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.482 4.526 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.798 3.443 -3.566 1.00 0.00 H new ATOM 1458 N ILE A 98 9.305 4.731 -2.226 1.00 0.00 N ATOM 1459 CA ILE A 98 10.323 4.429 -1.222 1.00 0.00 C ATOM 1460 C ILE A 98 11.274 5.606 -1.119 1.00 0.00 C ATOM 1461 O ILE A 98 11.518 6.078 -0.028 1.00 0.00 O ATOM 1462 CB ILE A 98 11.143 3.174 -1.597 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.315 2.124 -2.325 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.857 2.573 -0.375 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.026 1.655 -1.641 1.00 0.00 C ATOM 0 H ILE A 98 9.555 4.390 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 98 9.816 4.242 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 98 11.907 3.510 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.053 2.520 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.946 1.251 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.422 1.693 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.537 3.312 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.118 2.288 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.534 0.909 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.267 1.217 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.359 2.506 -1.499 1.00 0.00 H new ATOM 1477 N ASP A 99 11.837 6.084 -2.218 1.00 0.00 N ATOM 1478 CA ASP A 99 12.773 7.204 -2.325 1.00 0.00 C ATOM 1479 C ASP A 99 12.105 8.505 -1.884 1.00 0.00 C ATOM 1480 O ASP A 99 12.784 9.489 -1.600 1.00 0.00 O ATOM 1481 CB ASP A 99 13.321 7.312 -3.767 1.00 0.00 C ATOM 1482 CG ASP A 99 14.651 6.572 -3.998 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.168 5.922 -3.054 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.162 6.612 -5.143 1.00 0.00 O ATOM 0 H ASP A 99 11.640 5.671 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 99 13.616 7.022 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.575 6.917 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.457 8.365 -4.013 1.00 0.00 H new ATOM 1489 N ALA A 100 10.779 8.503 -1.756 1.00 0.00 N ATOM 1490 CA ALA A 100 10.020 9.553 -1.119 1.00 0.00 C ATOM 1491 C ALA A 100 9.929 9.229 0.379 1.00 0.00 C ATOM 1492 O ALA A 100 10.442 9.967 1.213 1.00 0.00 O ATOM 1493 CB ALA A 100 8.670 9.670 -1.837 1.00 0.00 C ATOM 0 H ALA A 100 10.195 7.743 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 100 10.491 10.533 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.078 10.458 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.836 9.912 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.135 8.723 -1.763 1.00 0.00 H new ATOM 1499 N PHE A 101 9.307 8.111 0.757 1.00 0.00 N ATOM 1500 CA PHE A 101 9.073 7.737 2.156 1.00 0.00 C ATOM 1501 C PHE A 101 10.355 7.688 2.988 1.00 0.00 C ATOM 1502 O PHE A 101 10.365 8.111 4.145 1.00 0.00 O ATOM 1503 CB PHE A 101 8.367 6.377 2.158 1.00 0.00 C ATOM 1504 CG PHE A 101 8.488 5.510 3.388 1.00 0.00 C ATOM 1505 CD1 PHE A 101 9.563 4.605 3.480 1.00 0.00 C ATOM 1506 CD2 PHE A 101 7.505 5.542 4.394 1.00 0.00 C ATOM 1507 CE1 PHE A 101 9.674 3.748 4.581 1.00 0.00 C ATOM 1508 CE2 PHE A 101 7.602 4.665 5.488 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.683 3.770 5.582 1.00 0.00 C ATOM 0 H PHE A 101 8.945 7.428 0.091 1.00 0.00 H new ATOM 0 HA PHE A 101 8.455 8.502 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.306 6.553 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.744 5.805 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.306 4.572 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.681 6.236 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.514 3.074 4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.845 4.678 6.258 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.754 3.098 6.424 1.00 0.00 H new ATOM 1519 N SER A 102 11.412 7.105 2.435 1.00 0.00 N ATOM 1520 CA SER A 102 12.686 6.879 3.100 1.00 0.00 C ATOM 1521 C SER A 102 13.263 8.219 3.520 1.00 0.00 C ATOM 1522 O SER A 102 13.525 8.429 4.705 1.00 0.00 O ATOM 1523 CB SER A 102 13.627 6.053 2.214 1.00 0.00 C ATOM 1524 OG SER A 102 13.874 6.627 0.942 1.00 0.00 O ATOM 0 H SER A 102 11.403 6.764 1.474 1.00 0.00 H new ATOM 0 HA SER A 102 12.546 6.284 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.577 5.923 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.200 5.059 2.076 1.00 0.00 H new ATOM 0 HG SER A 102 13.171 6.352 0.317 1.00 0.00 H new ATOM 1530 N GLU A 103 13.335 9.160 2.580 1.00 0.00 N ATOM 1531 CA GLU A 103 13.834 10.507 2.809 1.00 0.00 C ATOM 1532 C GLU A 103 12.705 11.394 3.332 1.00 0.00 C ATOM 1533 O GLU A 103 12.644 12.594 3.057 1.00 0.00 O ATOM 1534 CB GLU A 103 14.426 11.033 1.487 1.00 0.00 C ATOM 1535 CG GLU A 103 15.387 10.025 0.808 1.00 0.00 C ATOM 1536 CD GLU A 103 16.672 10.664 0.258 1.00 0.00 C ATOM 1537 OE1 GLU A 103 16.643 11.787 -0.301 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.737 10.004 0.299 1.00 0.00 O ATOM 0 H GLU A 103 13.040 8.999 1.617 1.00 0.00 H new ATOM 0 HA GLU A 103 14.619 10.512 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.613 11.270 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.961 11.963 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.656 9.253 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.861 9.530 -0.008 1.00 0.00 H new ATOM 1545 N GLY A 104 11.854 10.815 4.181 1.00 0.00 N ATOM 1546 CA GLY A 104 10.779 11.440 4.918 1.00 0.00 C ATOM 1547 C GLY A 104 9.931 12.412 4.101 1.00 0.00 C ATOM 1548 O GLY A 104 9.521 13.454 4.624 1.00 0.00 O ATOM 0 H GLY A 104 11.912 9.816 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.131 10.661 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.202 11.974 5.769 1.00 0.00 H new ATOM 1552 N ARG A 105 9.728 12.147 2.812 1.00 0.00 N ATOM 1553 CA ARG A 105 9.151 13.092 1.871 1.00 0.00 C ATOM 1554 C ARG A 105 7.721 12.695 1.517 1.00 0.00 C ATOM 1555 O ARG A 105 7.259 12.987 0.416 1.00 0.00 O ATOM 1556 CB ARG A 105 10.056 13.044 0.618 1.00 0.00 C ATOM 1557 CG ARG A 105 10.697 14.392 0.318 1.00 0.00 C ATOM 1558 CD ARG A 105 11.245 14.330 -1.104 1.00 0.00 C ATOM 1559 NE ARG A 105 11.616 15.645 -1.628 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.111 15.824 -2.857 1.00 0.00 C ATOM 1561 NH1 ARG A 105 12.306 14.783 -3.664 1.00 0.00 N ATOM 1562 NH2 ARG A 105 12.405 17.049 -3.273 1.00 0.00 N ATOM 0 H ARG A 105 9.966 11.250 2.389 1.00 0.00 H new ATOM 0 HA ARG A 105 9.103 14.096 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.836 12.297 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.467 12.725 -0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.965 15.194 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.496 14.604 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.118 13.677 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.497 13.882 -1.757 1.00 0.00 H new ATOM 0 HE ARG A 105 11.491 16.461 -1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.077 13.841 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.684 14.927 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.253 17.847 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.783 17.193 -4.209 1.00 0.00 H new ATOM 1576 N LEU A 106 6.957 12.169 2.469 1.00 0.00 N ATOM 1577 CA LEU A 106 5.588 11.739 2.242 1.00 0.00 C ATOM 1578 C LEU A 106 4.727 12.180 3.426 1.00 0.00 C ATOM 1579 O LEU A 106 5.225 12.690 4.433 1.00 0.00 O ATOM 1580 CB LEU A 106 5.571 10.217 2.015 1.00 0.00 C ATOM 1581 CG LEU A 106 6.085 9.739 0.632 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.792 8.248 0.490 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.436 10.418 -0.591 1.00 0.00 C ATOM 0 H LEU A 106 7.277 12.029 3.427 1.00 0.00 H new ATOM 0 HA LEU A 106 5.168 12.201 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.176 9.746 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.550 9.860 2.146 1.00 0.00 H new ATOM 0 HG LEU A 106 7.144 9.995 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.148 7.898 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.300 7.700 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.718 8.080 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.868 10.010 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.362 10.233 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.619 11.492 -0.551 1.00 0.00 H new ATOM 1595 N GLU A 107 3.415 12.008 3.301 1.00 0.00 N ATOM 1596 CA GLU A 107 2.416 12.537 4.224 1.00 0.00 C ATOM 1597 C GLU A 107 1.807 11.343 4.948 1.00 0.00 C ATOM 1598 O GLU A 107 1.577 10.318 4.310 1.00 0.00 O ATOM 1599 CB GLU A 107 1.315 13.280 3.452 1.00 0.00 C ATOM 1600 CG GLU A 107 1.807 14.210 2.338 1.00 0.00 C ATOM 1601 CD GLU A 107 0.667 14.661 1.421 1.00 0.00 C ATOM 1602 OE1 GLU A 107 -0.379 15.144 1.919 1.00 0.00 O ATOM 1603 OE2 GLU A 107 0.858 14.528 0.188 1.00 0.00 O ATOM 0 H GLU A 107 3.005 11.480 2.531 1.00 0.00 H new ATOM 0 HA GLU A 107 2.873 13.238 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.640 12.543 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.731 13.867 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.284 15.085 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.566 13.698 1.747 1.00 0.00 H new ATOM 1610 N GLU A 108 1.556 11.433 6.252 1.00 0.00 N ATOM 1611 CA GLU A 108 1.022 10.321 7.024 1.00 0.00 C ATOM 1612 C GLU A 108 -0.492 10.287 6.828 1.00 0.00 C ATOM 1613 O GLU A 108 -1.254 10.930 7.557 1.00 0.00 O ATOM 1614 CB GLU A 108 1.458 10.482 8.491 1.00 0.00 C ATOM 1615 CG GLU A 108 1.475 9.173 9.284 1.00 0.00 C ATOM 1616 CD GLU A 108 1.878 9.436 10.740 1.00 0.00 C ATOM 1617 OE1 GLU A 108 3.004 9.946 10.959 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.095 9.105 11.663 1.00 0.00 O ATOM 0 H GLU A 108 1.718 12.278 6.799 1.00 0.00 H new ATOM 0 HA GLU A 108 1.410 9.359 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.454 10.923 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.786 11.184 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.490 8.707 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.174 8.473 8.827 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.938 9.522 5.834 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.332 9.412 5.434 1.00 0.00 C ATOM 1627 C LEU A 109 -3.084 8.474 6.386 1.00 0.00 C ATOM 1628 O LEU A 109 -3.970 7.720 5.994 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.384 8.881 3.984 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.768 9.011 3.317 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.787 9.974 2.139 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.402 7.693 2.873 1.00 0.00 C ATOM 0 H LEU A 109 -0.316 8.944 5.269 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.814 10.388 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.651 9.420 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.088 7.832 3.981 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.373 9.414 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.792 10.015 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.494 10.968 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.089 9.629 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.372 7.891 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.753 7.203 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.534 7.043 3.738 1.00 0.00 H new