USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 862 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 39 ASN : amide:sc= 0.173 K(o=-0.014,f=-3.3!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.187 X(o=-0.014,f=0.3) USER MOD Single : A 4 ASN : amide:sc= -2.68! C(o=-2.7!,f=-7.5!) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc=-0.00237 (180deg=-0.0623) USER MOD Single : A 7 CYS SG : rot -31:sc= 0.795 USER MOD Single : A 10 THR OG1 : rot -23:sc= 0.682 USER MOD Single : A 13 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 34 SER OG : rot 55:sc= 0.174 USER MOD Single : A 37 CYS SG : rot 0:sc= -0.51 USER MOD Single : A 44 GLN : amide:sc= -0.984 K(o=-0.98,f=-0.045) USER MOD Single : A 47 MET CE :methyl -121:sc= 0 (180deg=-0.94) USER MOD Single : A 53 GLN : amide:sc= -0.644 K(o=-0.64,f=-0.11) USER MOD Single : A 54 TYR OH : rot -8:sc= -0.918! USER MOD Single : A 60 ASN : amide:sc= -4.74! C(o=-4.7!,f=-4.1!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 3:sc= 1.04 USER MOD Single : A 79 GLN : amide:sc= -5.05! C(o=-5.1!,f=-7.2!) USER MOD Single : A 81 HIS : no HE2:sc= 0.595 K(o=0.59,f=-2.1!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 64:sc= 0.0121 USER MOD Single : A 91 THR OG1 : rot 72:sc= 1.14 USER MOD Single : A 99 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.01) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= 0.0604 (180deg=-0.548) USER MOD Single : A 118 GLN : amide:sc= -0.829 K(o=-0.83,f=-0.0016) USER MOD Single : A 119 HIS : no HE2:sc= 0.835 K(o=0.84,f=-3.8!) USER MOD Single : A 122 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0962) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.051 8.991 -7.637 1.00 0.00 N ATOM 43 CA ASN A 4 -9.218 8.472 -6.952 1.00 0.00 C ATOM 44 C ASN A 4 -8.750 7.742 -5.732 1.00 0.00 C ATOM 45 O ASN A 4 -9.429 6.876 -5.188 1.00 0.00 O ATOM 46 CB ASN A 4 -10.083 7.570 -7.879 1.00 0.00 C ATOM 47 CG ASN A 4 -9.363 6.330 -8.388 1.00 0.00 C ATOM 48 OD1 ASN A 4 -8.163 6.334 -8.604 1.00 0.00 O ATOM 49 ND2 ASN A 4 -10.104 5.268 -8.607 1.00 0.00 N ATOM 0 HA ASN A 4 -9.870 9.295 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.976 7.261 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.417 8.159 -8.733 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.678 4.414 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.106 5.297 -8.416 1.00 0.00 H new ATOM 56 N LYS A 5 -7.581 8.165 -5.284 1.00 0.00 N ATOM 57 CA LYS A 5 -6.931 7.622 -4.122 1.00 0.00 C ATOM 58 C LYS A 5 -7.702 7.963 -2.852 1.00 0.00 C ATOM 59 O LYS A 5 -7.552 9.038 -2.269 1.00 0.00 O ATOM 60 CB LYS A 5 -5.450 8.067 -4.033 1.00 0.00 C ATOM 61 CG LYS A 5 -5.208 9.571 -4.142 1.00 0.00 C ATOM 62 CD LYS A 5 -3.741 9.909 -3.939 1.00 0.00 C ATOM 63 CE LYS A 5 -3.460 11.396 -4.151 1.00 0.00 C ATOM 64 NZ LYS A 5 -4.224 12.263 -3.242 1.00 0.00 N ATOM 0 H LYS A 5 -7.052 8.912 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.929 6.537 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.040 7.718 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.891 7.568 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.533 9.924 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.810 10.093 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.440 9.623 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.135 9.324 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.395 11.582 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.697 11.661 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.917 13.249 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.238 12.187 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.058 11.967 -2.259 1.00 0.00 H new ATOM 78 N VAL A 6 -8.578 7.080 -2.480 1.00 0.00 N ATOM 79 CA VAL A 6 -9.371 7.257 -1.301 1.00 0.00 C ATOM 80 C VAL A 6 -8.730 6.673 -0.058 1.00 0.00 C ATOM 81 O VAL A 6 -8.365 5.510 -0.017 1.00 0.00 O ATOM 82 CB VAL A 6 -10.818 6.722 -1.462 1.00 0.00 C ATOM 83 CG1 VAL A 6 -11.588 7.591 -2.431 1.00 0.00 C ATOM 84 CG2 VAL A 6 -10.835 5.269 -1.941 1.00 0.00 C ATOM 0 H VAL A 6 -8.764 6.214 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.427 8.337 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.294 6.757 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.603 7.207 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.624 8.613 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.093 7.580 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.866 4.931 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.334 5.198 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.316 4.641 -1.217 1.00 0.00 H new ATOM 94 N CYS A 7 -8.602 7.507 0.922 1.00 0.00 N ATOM 95 CA CYS A 7 -8.133 7.155 2.237 1.00 0.00 C ATOM 96 C CYS A 7 -9.378 6.814 3.026 1.00 0.00 C ATOM 97 O CYS A 7 -10.468 7.089 2.520 1.00 0.00 O ATOM 98 CB CYS A 7 -7.393 8.343 2.845 1.00 0.00 C ATOM 99 SG CYS A 7 -5.987 8.886 1.845 1.00 0.00 S ATOM 0 H CYS A 7 -8.830 8.497 0.831 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.436 6.317 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.088 9.174 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.041 8.074 3.841 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.478 7.865 1.221 1.00 0.00 H new ATOM 105 N GLY A 8 -9.211 6.235 4.233 1.00 0.00 N ATOM 106 CA GLY A 8 -10.298 5.644 5.044 1.00 0.00 C ATOM 107 C GLY A 8 -11.686 6.089 4.706 1.00 0.00 C ATOM 108 O GLY A 8 -12.098 7.210 4.997 1.00 0.00 O ATOM 0 H GLY A 8 -8.298 6.163 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.251 4.560 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.109 5.875 6.092 1.00 0.00 H new ATOM 112 N LEU A 9 -12.389 5.215 4.078 1.00 0.00 N ATOM 113 CA LEU A 9 -13.697 5.463 3.615 1.00 0.00 C ATOM 114 C LEU A 9 -14.400 4.146 3.640 1.00 0.00 C ATOM 115 O LEU A 9 -13.821 3.140 3.259 1.00 0.00 O ATOM 116 CB LEU A 9 -13.623 6.005 2.188 1.00 0.00 C ATOM 117 CG LEU A 9 -14.925 6.466 1.550 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.535 7.617 2.338 1.00 0.00 C ATOM 119 CD2 LEU A 9 -14.662 6.883 0.120 1.00 0.00 C ATOM 0 H LEU A 9 -12.052 4.276 3.868 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.223 6.195 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.928 6.845 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.192 5.230 1.554 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.637 5.641 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.465 7.930 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.740 7.292 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.838 8.455 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.593 7.214 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.940 7.700 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.263 6.036 -0.438 1.00 0.00 H new ATOM 131 N THR A 10 -15.596 4.130 4.113 1.00 0.00 N ATOM 132 CA THR A 10 -16.317 2.891 4.239 1.00 0.00 C ATOM 133 C THR A 10 -17.759 3.081 3.812 1.00 0.00 C ATOM 134 O THR A 10 -18.599 2.193 3.946 1.00 0.00 O ATOM 135 CB THR A 10 -16.173 2.277 5.683 1.00 0.00 C ATOM 136 OG1 THR A 10 -16.972 1.085 5.846 1.00 0.00 O ATOM 137 CG2 THR A 10 -16.521 3.286 6.760 1.00 0.00 C ATOM 0 H THR A 10 -16.106 4.957 4.423 1.00 0.00 H new ATOM 0 HA THR A 10 -15.875 2.157 3.566 1.00 0.00 H new ATOM 0 HB THR A 10 -15.124 2.001 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.703 1.090 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.409 2.824 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.853 4.144 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.552 3.616 6.630 1.00 0.00 H new ATOM 145 N ARG A 11 -18.019 4.232 3.243 1.00 0.00 N ATOM 146 CA ARG A 11 -19.322 4.545 2.748 1.00 0.00 C ATOM 147 C ARG A 11 -19.406 4.006 1.332 1.00 0.00 C ATOM 148 O ARG A 11 -18.700 4.489 0.465 1.00 0.00 O ATOM 149 CB ARG A 11 -19.537 6.057 2.741 1.00 0.00 C ATOM 150 CG ARG A 11 -19.362 6.736 4.083 1.00 0.00 C ATOM 151 CD ARG A 11 -19.574 8.236 3.966 1.00 0.00 C ATOM 152 NE ARG A 11 -20.964 8.561 3.622 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.362 9.588 2.859 1.00 0.00 C ATOM 154 NH1 ARG A 11 -20.496 10.248 2.104 1.00 0.00 N ATOM 155 NH2 ARG A 11 -22.650 9.894 2.788 1.00 0.00 N ATOM 0 H ARG A 11 -17.329 4.972 3.114 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.089 4.100 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.841 6.504 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.543 6.264 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.070 6.320 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.362 6.535 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.310 8.716 4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.906 8.640 3.205 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.691 7.951 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.513 9.976 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.812 11.028 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -23.333 9.348 3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.957 10.675 2.208 1.00 0.00 H new ATOM 169 N GLY A 12 -20.237 3.000 1.133 1.00 0.00 N ATOM 170 CA GLY A 12 -20.418 2.315 -0.153 1.00 0.00 C ATOM 171 C GLY A 12 -20.501 3.231 -1.357 1.00 0.00 C ATOM 172 O GLY A 12 -19.727 3.116 -2.313 1.00 0.00 O ATOM 0 H GLY A 12 -20.825 2.620 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.590 1.622 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.329 1.718 -0.105 1.00 0.00 H new ATOM 176 N GLN A 13 -21.392 4.168 -1.267 1.00 0.00 N ATOM 177 CA GLN A 13 -21.704 5.087 -2.339 1.00 0.00 C ATOM 178 C GLN A 13 -20.612 6.138 -2.523 1.00 0.00 C ATOM 179 O GLN A 13 -20.489 6.749 -3.587 1.00 0.00 O ATOM 180 CB GLN A 13 -23.080 5.734 -2.106 1.00 0.00 C ATOM 181 CG GLN A 13 -24.302 4.821 -2.387 1.00 0.00 C ATOM 182 CD GLN A 13 -24.420 3.543 -1.532 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.945 2.535 -1.993 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.964 3.569 -0.303 1.00 0.00 N ATOM 0 H GLN A 13 -21.944 4.327 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.748 4.518 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.132 6.074 -1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.157 6.620 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.208 5.411 -2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.274 4.528 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.531 4.417 0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -24.043 2.741 0.288 1.00 0.00 H new ATOM 193 N ASP A 14 -19.814 6.319 -1.497 1.00 0.00 N ATOM 194 CA ASP A 14 -18.725 7.283 -1.522 1.00 0.00 C ATOM 195 C ASP A 14 -17.501 6.574 -2.100 1.00 0.00 C ATOM 196 O ASP A 14 -16.724 7.138 -2.860 1.00 0.00 O ATOM 197 CB ASP A 14 -18.422 7.750 -0.087 1.00 0.00 C ATOM 198 CG ASP A 14 -17.728 9.116 -0.006 1.00 0.00 C ATOM 199 OD1 ASP A 14 -16.834 9.427 -0.820 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.119 9.927 0.864 1.00 0.00 O ATOM 0 H ASP A 14 -19.896 5.806 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 14 -18.988 8.152 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.356 7.795 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.793 7.005 0.401 1.00 0.00 H new ATOM 205 N ALA A 15 -17.376 5.305 -1.751 1.00 0.00 N ATOM 206 CA ALA A 15 -16.288 4.453 -2.193 1.00 0.00 C ATOM 207 C ALA A 15 -16.382 4.189 -3.682 1.00 0.00 C ATOM 208 O ALA A 15 -15.403 4.357 -4.422 1.00 0.00 O ATOM 209 CB ALA A 15 -16.316 3.142 -1.422 1.00 0.00 C ATOM 0 H ALA A 15 -18.041 4.830 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.345 4.963 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.497 2.505 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.206 3.344 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.265 2.636 -1.599 1.00 0.00 H new ATOM 215 N LYS A 16 -17.575 3.819 -4.140 1.00 0.00 N ATOM 216 CA LYS A 16 -17.785 3.537 -5.553 1.00 0.00 C ATOM 217 C LYS A 16 -17.560 4.757 -6.407 1.00 0.00 C ATOM 218 O LYS A 16 -17.248 4.624 -7.555 1.00 0.00 O ATOM 219 CB LYS A 16 -19.133 2.878 -5.854 1.00 0.00 C ATOM 220 CG LYS A 16 -20.359 3.711 -5.521 1.00 0.00 C ATOM 221 CD LYS A 16 -21.655 2.928 -5.742 1.00 0.00 C ATOM 222 CE LYS A 16 -21.819 2.471 -7.192 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.064 1.695 -7.401 1.00 0.00 N ATOM 0 H LYS A 16 -18.404 3.709 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.029 2.799 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.165 2.624 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.191 1.941 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.305 4.039 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.367 4.609 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.667 2.058 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.505 3.550 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.823 3.342 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.962 1.861 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.131 1.408 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.051 0.849 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.885 2.284 -7.155 1.00 0.00 H new ATOM 237 N ALA A 17 -17.690 5.942 -5.819 1.00 0.00 N ATOM 238 CA ALA A 17 -17.443 7.202 -6.522 1.00 0.00 C ATOM 239 C ALA A 17 -16.007 7.256 -7.054 1.00 0.00 C ATOM 240 O ALA A 17 -15.739 7.825 -8.116 1.00 0.00 O ATOM 241 CB ALA A 17 -17.687 8.374 -5.593 1.00 0.00 C ATOM 0 H ALA A 17 -17.969 6.059 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.130 7.261 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.500 9.306 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.720 8.355 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.016 8.305 -4.737 1.00 0.00 H new ATOM 247 N ALA A 18 -15.095 6.632 -6.330 1.00 0.00 N ATOM 248 CA ALA A 18 -13.709 6.588 -6.727 1.00 0.00 C ATOM 249 C ALA A 18 -13.532 5.582 -7.861 1.00 0.00 C ATOM 250 O ALA A 18 -12.770 5.796 -8.801 1.00 0.00 O ATOM 251 CB ALA A 18 -12.850 6.220 -5.539 1.00 0.00 C ATOM 0 H ALA A 18 -15.298 6.146 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.398 7.569 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.804 6.188 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.977 6.965 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.149 5.242 -5.163 1.00 0.00 H new ATOM 257 N TYR A 19 -14.258 4.494 -7.789 1.00 0.00 N ATOM 258 CA TYR A 19 -14.227 3.489 -8.824 1.00 0.00 C ATOM 259 C TYR A 19 -14.942 4.004 -10.071 1.00 0.00 C ATOM 260 O TYR A 19 -14.541 3.724 -11.198 1.00 0.00 O ATOM 261 CB TYR A 19 -14.816 2.169 -8.286 1.00 0.00 C ATOM 262 CG TYR A 19 -15.569 1.335 -9.283 1.00 0.00 C ATOM 263 CD1 TYR A 19 -14.905 0.447 -10.100 1.00 0.00 C ATOM 264 CD2 TYR A 19 -16.942 1.457 -9.419 1.00 0.00 C ATOM 265 CE1 TYR A 19 -15.581 -0.302 -11.035 1.00 0.00 C ATOM 266 CE2 TYR A 19 -17.633 0.709 -10.346 1.00 0.00 C ATOM 267 CZ TYR A 19 -16.944 -0.170 -11.157 1.00 0.00 C ATOM 268 OH TYR A 19 -17.620 -0.908 -12.105 1.00 0.00 O ATOM 0 H TYR A 19 -14.886 4.280 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.199 3.279 -9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.002 1.569 -7.880 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.484 2.402 -7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.835 0.337 -10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.479 2.150 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.044 -0.990 -11.670 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.704 0.809 -10.438 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.577 -0.699 -12.061 1.00 0.00 H new ATOM 278 N ASP A 20 -15.949 4.797 -9.839 1.00 0.00 N ATOM 279 CA ASP A 20 -16.755 5.433 -10.887 1.00 0.00 C ATOM 280 C ASP A 20 -15.905 6.433 -11.673 1.00 0.00 C ATOM 281 O ASP A 20 -16.153 6.698 -12.854 1.00 0.00 O ATOM 282 CB ASP A 20 -17.962 6.134 -10.234 1.00 0.00 C ATOM 283 CG ASP A 20 -18.907 6.808 -11.203 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.749 6.112 -11.826 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.878 8.047 -11.308 1.00 0.00 O ATOM 0 H ASP A 20 -16.255 5.037 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.115 4.678 -11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.521 5.399 -9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.593 6.880 -9.530 1.00 0.00 H new ATOM 290 N ALA A 21 -14.867 6.947 -11.020 1.00 0.00 N ATOM 291 CA ALA A 21 -13.966 7.899 -11.644 1.00 0.00 C ATOM 292 C ALA A 21 -13.005 7.217 -12.631 1.00 0.00 C ATOM 293 O ALA A 21 -12.513 7.856 -13.550 1.00 0.00 O ATOM 294 CB ALA A 21 -13.179 8.651 -10.582 1.00 0.00 C ATOM 0 H ALA A 21 -14.632 6.716 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.574 8.604 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.507 9.362 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.868 9.187 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.597 7.944 -9.991 1.00 0.00 H new ATOM 300 N GLY A 22 -12.748 5.927 -12.457 1.00 0.00 N ATOM 301 CA GLY A 22 -11.897 5.243 -13.410 1.00 0.00 C ATOM 302 C GLY A 22 -11.403 3.896 -12.933 1.00 0.00 C ATOM 303 O GLY A 22 -10.630 3.249 -13.636 1.00 0.00 O ATOM 0 H GLY A 22 -13.104 5.354 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.446 5.109 -14.342 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.038 5.875 -13.635 1.00 0.00 H new ATOM 307 N ALA A 23 -11.828 3.483 -11.708 1.00 0.00 N ATOM 308 CA ALA A 23 -11.460 2.179 -11.104 1.00 0.00 C ATOM 309 C ALA A 23 -9.957 2.036 -10.966 1.00 0.00 C ATOM 310 O ALA A 23 -9.436 0.929 -10.837 1.00 0.00 O ATOM 311 CB ALA A 23 -12.028 1.032 -11.932 1.00 0.00 C ATOM 0 H ALA A 23 -12.435 4.047 -11.114 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.892 2.141 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.750 0.082 -11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.114 1.113 -11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.627 1.080 -12.944 1.00 0.00 H new ATOM 317 N ILE A 24 -9.289 3.174 -10.909 1.00 0.00 N ATOM 318 CA ILE A 24 -7.850 3.227 -10.937 1.00 0.00 C ATOM 319 C ILE A 24 -7.235 2.542 -9.727 1.00 0.00 C ATOM 320 O ILE A 24 -6.715 1.452 -9.846 1.00 0.00 O ATOM 321 CB ILE A 24 -7.366 4.700 -11.007 1.00 0.00 C ATOM 322 CG1 ILE A 24 -8.152 5.483 -12.093 1.00 0.00 C ATOM 323 CG2 ILE A 24 -5.859 4.756 -11.283 1.00 0.00 C ATOM 324 CD1 ILE A 24 -7.797 6.959 -12.161 1.00 0.00 C ATOM 0 H ILE A 24 -9.737 4.088 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.523 2.692 -11.829 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.556 5.172 -10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.962 5.028 -13.065 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.220 5.384 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.536 5.796 -11.329 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.323 4.245 -10.483 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.645 4.267 -12.233 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.386 7.439 -12.942 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.014 7.430 -11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.736 7.068 -12.387 1.00 0.00 H new ATOM 336 N TYR A 25 -7.398 3.135 -8.577 1.00 0.00 N ATOM 337 CA TYR A 25 -6.803 2.642 -7.341 1.00 0.00 C ATOM 338 C TYR A 25 -7.251 3.552 -6.197 1.00 0.00 C ATOM 339 O TYR A 25 -7.623 4.684 -6.432 1.00 0.00 O ATOM 340 CB TYR A 25 -5.241 2.591 -7.511 1.00 0.00 C ATOM 341 CG TYR A 25 -4.475 3.577 -6.733 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.259 4.855 -7.200 1.00 0.00 C ATOM 343 CD2 TYR A 25 -3.986 3.229 -5.512 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.566 5.760 -6.452 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.305 4.106 -4.753 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.086 5.382 -5.213 1.00 0.00 C ATOM 347 OH TYR A 25 -2.383 6.285 -4.440 1.00 0.00 O ATOM 0 H TYR A 25 -7.951 3.984 -8.458 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.132 1.629 -7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.898 1.594 -7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.006 2.728 -8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.642 5.143 -8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.148 2.227 -5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.395 6.760 -6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.931 3.808 -3.785 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.118 5.859 -3.598 1.00 0.00 H new ATOM 357 N GLY A 26 -7.242 3.059 -5.002 1.00 0.00 N ATOM 358 CA GLY A 26 -7.613 3.852 -3.874 1.00 0.00 C ATOM 359 C GLY A 26 -6.462 3.880 -2.913 1.00 0.00 C ATOM 360 O GLY A 26 -5.760 2.887 -2.795 1.00 0.00 O ATOM 0 H GLY A 26 -6.979 2.099 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.868 4.864 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.498 3.436 -3.393 1.00 0.00 H new ATOM 364 N GLY A 27 -6.278 4.969 -2.213 1.00 0.00 N ATOM 365 CA GLY A 27 -5.092 5.119 -1.400 1.00 0.00 C ATOM 366 C GLY A 27 -5.389 5.008 0.059 1.00 0.00 C ATOM 367 O GLY A 27 -5.362 6.006 0.793 1.00 0.00 O ATOM 0 H GLY A 27 -6.924 5.758 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.364 4.358 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.635 6.087 -1.603 1.00 0.00 H new ATOM 371 N LEU A 28 -5.676 3.815 0.479 1.00 0.00 N ATOM 372 CA LEU A 28 -5.995 3.545 1.829 1.00 0.00 C ATOM 373 C LEU A 28 -4.886 2.753 2.460 1.00 0.00 C ATOM 374 O LEU A 28 -4.208 1.990 1.806 1.00 0.00 O ATOM 375 CB LEU A 28 -7.425 2.899 2.028 1.00 0.00 C ATOM 376 CG LEU A 28 -7.850 1.587 1.263 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.907 1.774 -0.247 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.981 0.395 1.623 1.00 0.00 C ATOM 0 H LEU A 28 -5.693 2.993 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.072 4.498 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.535 2.694 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.157 3.665 1.773 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.863 1.373 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.205 0.838 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.633 2.550 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.924 2.069 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.317 -0.481 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.944 0.611 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.058 0.199 2.692 1.00 0.00 H new ATOM 390 N ILE A 29 -4.647 3.016 3.682 1.00 0.00 N ATOM 391 CA ILE A 29 -3.583 2.339 4.398 1.00 0.00 C ATOM 392 C ILE A 29 -4.156 1.519 5.578 1.00 0.00 C ATOM 393 O ILE A 29 -5.221 1.843 6.069 1.00 0.00 O ATOM 394 CB ILE A 29 -2.572 3.370 4.897 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.161 4.338 3.776 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.377 2.681 5.447 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.227 5.440 4.219 1.00 0.00 C ATOM 0 H ILE A 29 -5.166 3.699 4.235 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.082 1.646 3.723 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.044 3.956 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.682 3.770 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.059 4.787 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.660 3.422 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.676 2.040 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.916 2.074 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.987 6.077 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.709 6.036 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.310 5.003 4.615 1.00 0.00 H new ATOM 409 N PHE A 30 -3.440 0.489 6.054 1.00 0.00 N ATOM 410 CA PHE A 30 -3.947 -0.365 7.149 1.00 0.00 C ATOM 411 C PHE A 30 -3.664 0.264 8.516 1.00 0.00 C ATOM 412 O PHE A 30 -3.004 -0.347 9.363 1.00 0.00 O ATOM 413 CB PHE A 30 -3.288 -1.757 7.150 1.00 0.00 C ATOM 414 CG PHE A 30 -3.222 -2.440 5.835 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.273 -3.210 5.356 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.089 -2.315 5.081 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.169 -3.836 4.127 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.976 -2.922 3.878 1.00 0.00 C ATOM 419 CZ PHE A 30 -3.011 -3.686 3.390 1.00 0.00 C ATOM 0 H PHE A 30 -2.518 0.226 5.706 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.019 -0.460 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.274 -1.658 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.834 -2.396 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.173 -3.320 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.268 -1.720 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.984 -4.435 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.072 -2.807 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.918 -4.169 2.429 1.00 0.00 H new ATOM 429 N VAL A 31 -4.112 1.469 8.734 1.00 0.00 N ATOM 430 CA VAL A 31 -3.944 2.056 10.039 1.00 0.00 C ATOM 431 C VAL A 31 -5.057 1.537 10.915 1.00 0.00 C ATOM 432 O VAL A 31 -6.238 1.746 10.601 1.00 0.00 O ATOM 433 CB VAL A 31 -3.925 3.602 10.031 1.00 0.00 C ATOM 434 CG1 VAL A 31 -3.719 4.130 11.445 1.00 0.00 C ATOM 435 CG2 VAL A 31 -2.824 4.112 9.117 1.00 0.00 C ATOM 0 H VAL A 31 -4.585 2.054 8.046 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.965 1.767 10.423 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.883 3.961 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.707 5.220 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.532 3.786 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.770 3.763 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.823 5.202 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.860 3.747 9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.998 3.754 8.102 1.00 0.00 H new ATOM 445 N ALA A 32 -4.660 0.867 11.992 1.00 0.00 N ATOM 446 CA ALA A 32 -5.533 0.134 12.897 1.00 0.00 C ATOM 447 C ALA A 32 -6.801 0.877 13.262 1.00 0.00 C ATOM 448 O ALA A 32 -6.803 1.770 14.119 1.00 0.00 O ATOM 449 CB ALA A 32 -4.775 -0.285 14.150 1.00 0.00 C ATOM 0 H ALA A 32 -3.679 0.819 12.268 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.854 -0.754 12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.444 -0.832 14.814 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.938 -0.925 13.872 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.400 0.601 14.662 1.00 0.00 H new ATOM 455 N THR A 33 -7.861 0.545 12.537 1.00 0.00 N ATOM 456 CA THR A 33 -9.225 1.022 12.757 1.00 0.00 C ATOM 457 C THR A 33 -9.368 2.544 12.761 1.00 0.00 C ATOM 458 O THR A 33 -10.335 3.083 13.288 1.00 0.00 O ATOM 459 CB THR A 33 -9.847 0.383 14.027 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.034 0.635 15.194 1.00 0.00 O ATOM 461 CG2 THR A 33 -9.953 -1.105 13.824 1.00 0.00 C ATOM 0 H THR A 33 -7.793 -0.092 11.744 1.00 0.00 H new ATOM 0 HA THR A 33 -9.793 0.689 11.889 1.00 0.00 H new ATOM 0 HB THR A 33 -10.830 0.826 14.187 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.451 0.222 15.979 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.389 -1.563 14.712 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.587 -1.310 12.961 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.960 -1.520 13.652 1.00 0.00 H new ATOM 469 N SER A 34 -8.451 3.224 12.123 1.00 0.00 N ATOM 470 CA SER A 34 -8.495 4.646 12.081 1.00 0.00 C ATOM 471 C SER A 34 -9.061 5.052 10.757 1.00 0.00 C ATOM 472 O SER A 34 -8.393 4.887 9.762 1.00 0.00 O ATOM 473 CB SER A 34 -7.099 5.201 12.282 1.00 0.00 C ATOM 474 OG SER A 34 -6.534 4.694 13.487 1.00 0.00 O ATOM 0 H SER A 34 -7.665 2.805 11.626 1.00 0.00 H new ATOM 0 HA SER A 34 -9.126 5.044 12.876 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.468 4.932 11.435 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.135 6.290 12.319 1.00 0.00 H new ATOM 0 HG SER A 34 -6.564 3.715 13.476 1.00 0.00 H new ATOM 480 N PRO A 35 -10.311 5.604 10.732 1.00 0.00 N ATOM 481 CA PRO A 35 -11.043 5.940 9.485 1.00 0.00 C ATOM 482 C PRO A 35 -10.339 6.959 8.569 1.00 0.00 C ATOM 483 O PRO A 35 -10.889 7.374 7.567 1.00 0.00 O ATOM 484 CB PRO A 35 -12.399 6.471 9.970 1.00 0.00 C ATOM 485 CG PRO A 35 -12.179 6.855 11.388 1.00 0.00 C ATOM 486 CD PRO A 35 -11.122 5.933 11.924 1.00 0.00 C ATOM 0 HA PRO A 35 -11.118 5.057 8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.723 7.325 9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.174 5.710 9.883 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.860 7.895 11.463 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.101 6.762 11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.523 6.416 12.696 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.558 5.040 12.371 1.00 0.00 H new ATOM 494 N ARG A 36 -9.156 7.394 8.943 1.00 0.00 N ATOM 495 CA ARG A 36 -8.301 8.170 8.053 1.00 0.00 C ATOM 496 C ARG A 36 -7.710 7.225 7.005 1.00 0.00 C ATOM 497 O ARG A 36 -7.256 7.635 5.945 1.00 0.00 O ATOM 498 CB ARG A 36 -7.166 8.856 8.833 1.00 0.00 C ATOM 499 CG ARG A 36 -6.290 7.906 9.650 1.00 0.00 C ATOM 500 CD ARG A 36 -5.173 8.654 10.354 1.00 0.00 C ATOM 501 NE ARG A 36 -4.200 9.219 9.408 1.00 0.00 N ATOM 502 CZ ARG A 36 -3.936 10.528 9.253 1.00 0.00 C ATOM 503 NH1 ARG A 36 -4.674 11.446 9.883 1.00 0.00 N ATOM 504 NH2 ARG A 36 -2.953 10.914 8.444 1.00 0.00 N ATOM 0 H ARG A 36 -8.756 7.225 9.866 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.895 8.949 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.534 9.397 8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.600 9.597 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.903 7.386 10.386 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.865 7.146 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.599 9.456 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.661 7.978 11.039 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.683 8.564 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.443 11.155 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.468 12.437 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.402 10.217 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.751 11.907 8.325 1.00 0.00 H new ATOM 518 N CYS A 37 -7.730 5.954 7.327 1.00 0.00 N ATOM 519 CA CYS A 37 -7.233 4.904 6.495 1.00 0.00 C ATOM 520 C CYS A 37 -8.166 3.701 6.664 1.00 0.00 C ATOM 521 O CYS A 37 -9.101 3.776 7.449 1.00 0.00 O ATOM 522 CB CYS A 37 -5.804 4.591 6.895 1.00 0.00 C ATOM 523 SG CYS A 37 -4.651 5.968 6.644 1.00 0.00 S ATOM 0 H CYS A 37 -8.109 5.618 8.212 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.217 5.187 5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.786 4.302 7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.457 3.731 6.322 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.292 6.987 6.153 1.00 0.00 H new ATOM 529 N VAL A 38 -7.985 2.640 5.920 1.00 0.00 N ATOM 530 CA VAL A 38 -8.870 1.520 6.058 1.00 0.00 C ATOM 531 C VAL A 38 -8.089 0.226 6.014 1.00 0.00 C ATOM 532 O VAL A 38 -7.199 0.047 5.192 1.00 0.00 O ATOM 533 CB VAL A 38 -10.034 1.588 4.981 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.299 0.262 4.303 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.322 2.076 5.635 1.00 0.00 C ATOM 0 H VAL A 38 -7.246 2.531 5.225 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.356 1.559 7.033 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.700 2.286 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.106 0.378 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.397 -0.071 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.586 -0.478 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.115 2.120 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.609 1.388 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.163 3.070 6.054 1.00 0.00 H new ATOM 545 N ASN A 39 -8.444 -0.657 6.897 1.00 0.00 N ATOM 546 CA ASN A 39 -7.814 -1.951 7.004 1.00 0.00 C ATOM 547 C ASN A 39 -8.662 -2.980 6.368 1.00 0.00 C ATOM 548 O ASN A 39 -9.829 -2.700 6.068 1.00 0.00 O ATOM 549 CB ASN A 39 -7.416 -2.292 8.449 1.00 0.00 C ATOM 550 CG ASN A 39 -8.465 -1.940 9.467 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.530 -0.811 9.947 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.225 -2.879 9.863 1.00 0.00 N ATOM 0 H ASN A 39 -9.189 -0.503 7.576 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.871 -1.924 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.203 -3.359 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.493 -1.767 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.911 -2.705 10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.149 -3.807 9.446 1.00 0.00 H new ATOM 559 N VAL A 40 -8.100 -4.170 6.160 1.00 0.00 N ATOM 560 CA VAL A 40 -8.757 -5.252 5.418 1.00 0.00 C ATOM 561 C VAL A 40 -10.168 -5.555 5.927 1.00 0.00 C ATOM 562 O VAL A 40 -11.046 -5.918 5.154 1.00 0.00 O ATOM 563 CB VAL A 40 -7.868 -6.545 5.354 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.513 -7.052 6.731 1.00 0.00 C ATOM 565 CG2 VAL A 40 -8.539 -7.644 4.556 1.00 0.00 C ATOM 0 H VAL A 40 -7.171 -4.415 6.502 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.875 -4.889 4.397 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.946 -6.261 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.898 -7.947 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.959 -6.283 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.425 -7.292 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.894 -8.523 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.490 -7.903 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.716 -7.298 3.538 1.00 0.00 H new ATOM 575 N GLU A 41 -10.384 -5.325 7.194 1.00 0.00 N ATOM 576 CA GLU A 41 -11.637 -5.543 7.809 1.00 0.00 C ATOM 577 C GLU A 41 -12.714 -4.592 7.272 1.00 0.00 C ATOM 578 O GLU A 41 -13.788 -5.030 6.881 1.00 0.00 O ATOM 579 CB GLU A 41 -11.483 -5.429 9.292 1.00 0.00 C ATOM 580 CG GLU A 41 -10.605 -6.510 9.890 1.00 0.00 C ATOM 581 CD GLU A 41 -9.139 -6.122 10.014 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.623 -5.356 9.168 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.493 -6.546 10.986 1.00 0.00 O ATOM 0 H GLU A 41 -9.668 -4.973 7.830 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.977 -6.549 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.060 -4.453 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.468 -5.473 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.986 -6.767 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.682 -7.407 9.275 1.00 0.00 H new ATOM 590 N GLN A 42 -12.427 -3.293 7.237 1.00 0.00 N ATOM 591 CA GLN A 42 -13.360 -2.343 6.639 1.00 0.00 C ATOM 592 C GLN A 42 -13.351 -2.479 5.130 1.00 0.00 C ATOM 593 O GLN A 42 -14.400 -2.474 4.491 1.00 0.00 O ATOM 594 CB GLN A 42 -12.980 -0.947 7.034 1.00 0.00 C ATOM 595 CG GLN A 42 -13.176 -0.691 8.493 1.00 0.00 C ATOM 596 CD GLN A 42 -12.330 0.398 8.973 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.707 1.563 8.970 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.186 0.026 9.409 1.00 0.00 N ATOM 0 H GLN A 42 -11.572 -2.880 7.609 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.366 -2.556 7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.936 -0.771 6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.575 -0.236 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.222 -0.449 8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.953 -1.598 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.927 -0.960 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.533 0.716 9.780 1.00 0.00 H new ATOM 607 N ALA A 43 -12.162 -2.672 4.574 1.00 0.00 N ATOM 608 CA ALA A 43 -11.977 -2.800 3.132 1.00 0.00 C ATOM 609 C ALA A 43 -12.712 -4.006 2.573 1.00 0.00 C ATOM 610 O ALA A 43 -12.997 -4.060 1.392 1.00 0.00 O ATOM 611 CB ALA A 43 -10.508 -2.867 2.788 1.00 0.00 C ATOM 0 H ALA A 43 -11.297 -2.744 5.110 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.405 -1.912 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.391 -2.962 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.013 -1.957 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.058 -3.730 3.279 1.00 0.00 H new ATOM 617 N GLN A 44 -13.018 -4.959 3.442 1.00 0.00 N ATOM 618 CA GLN A 44 -13.780 -6.153 3.108 1.00 0.00 C ATOM 619 C GLN A 44 -15.137 -5.742 2.504 1.00 0.00 C ATOM 620 O GLN A 44 -15.632 -6.350 1.559 1.00 0.00 O ATOM 621 CB GLN A 44 -14.041 -6.943 4.390 1.00 0.00 C ATOM 622 CG GLN A 44 -14.281 -8.412 4.190 1.00 0.00 C ATOM 623 CD GLN A 44 -13.012 -9.223 4.387 1.00 0.00 C ATOM 624 OE1 GLN A 44 -13.074 -10.382 4.771 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.858 -8.619 4.179 1.00 0.00 N ATOM 0 H GLN A 44 -12.737 -4.922 4.422 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.222 -6.756 2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.188 -6.817 5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.907 -6.514 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -15.043 -8.754 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.670 -8.583 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.840 -7.651 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.984 -9.120 4.339 1.00 0.00 H new ATOM 634 N GLU A 45 -15.695 -4.685 3.046 1.00 0.00 N ATOM 635 CA GLU A 45 -16.970 -4.148 2.608 1.00 0.00 C ATOM 636 C GLU A 45 -16.773 -3.272 1.404 1.00 0.00 C ATOM 637 O GLU A 45 -17.521 -3.343 0.420 1.00 0.00 O ATOM 638 CB GLU A 45 -17.553 -3.295 3.719 1.00 0.00 C ATOM 639 CG GLU A 45 -17.909 -4.080 4.964 1.00 0.00 C ATOM 640 CD GLU A 45 -19.049 -5.030 4.712 1.00 0.00 C ATOM 641 OE1 GLU A 45 -18.831 -6.140 4.198 1.00 0.00 O ATOM 642 OE2 GLU A 45 -20.196 -4.674 5.014 1.00 0.00 O ATOM 0 H GLU A 45 -15.273 -4.164 3.815 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.636 -4.974 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.836 -2.517 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.447 -2.792 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.037 -4.639 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.179 -3.391 5.765 1.00 0.00 H new ATOM 649 N VAL A 46 -15.748 -2.473 1.484 1.00 0.00 N ATOM 650 CA VAL A 46 -15.446 -1.471 0.497 1.00 0.00 C ATOM 651 C VAL A 46 -15.088 -2.120 -0.855 1.00 0.00 C ATOM 652 O VAL A 46 -15.529 -1.661 -1.910 1.00 0.00 O ATOM 653 CB VAL A 46 -14.299 -0.545 0.994 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.165 0.658 0.117 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.533 -0.103 2.430 1.00 0.00 C ATOM 0 H VAL A 46 -15.081 -2.499 2.256 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.336 -0.859 0.346 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.375 -1.122 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.356 1.289 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.943 0.342 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.098 1.221 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.715 0.543 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.474 0.444 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.578 -0.979 3.077 1.00 0.00 H new ATOM 665 N MET A 47 -14.348 -3.236 -0.808 1.00 0.00 N ATOM 666 CA MET A 47 -13.917 -3.966 -2.022 1.00 0.00 C ATOM 667 C MET A 47 -15.111 -4.487 -2.812 1.00 0.00 C ATOM 668 O MET A 47 -15.024 -4.707 -4.016 1.00 0.00 O ATOM 669 CB MET A 47 -12.966 -5.143 -1.678 1.00 0.00 C ATOM 670 CG MET A 47 -13.623 -6.301 -0.926 1.00 0.00 C ATOM 671 SD MET A 47 -12.470 -7.633 -0.522 1.00 0.00 S ATOM 672 CE MET A 47 -13.559 -8.776 0.326 1.00 0.00 C ATOM 0 H MET A 47 -14.030 -3.661 0.063 1.00 0.00 H new ATOM 0 HA MET A 47 -13.373 -3.250 -2.638 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.536 -5.527 -2.603 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.140 -4.761 -1.078 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.068 -5.922 -0.006 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.436 -6.704 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.190 -8.948 1.337 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.563 -8.355 0.373 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.587 -9.722 -0.216 1.00 0.00 H new ATOM 682 N ALA A 48 -16.224 -4.669 -2.130 1.00 0.00 N ATOM 683 CA ALA A 48 -17.423 -5.153 -2.763 1.00 0.00 C ATOM 684 C ALA A 48 -18.178 -4.001 -3.409 1.00 0.00 C ATOM 685 O ALA A 48 -18.901 -4.190 -4.387 1.00 0.00 O ATOM 686 CB ALA A 48 -18.296 -5.864 -1.746 1.00 0.00 C ATOM 0 H ALA A 48 -16.318 -4.486 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.151 -5.864 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.201 -6.227 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.749 -6.707 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.566 -5.170 -0.950 1.00 0.00 H new ATOM 692 N ALA A 49 -17.974 -2.807 -2.882 1.00 0.00 N ATOM 693 CA ALA A 49 -18.656 -1.631 -3.371 1.00 0.00 C ATOM 694 C ALA A 49 -17.915 -1.018 -4.552 1.00 0.00 C ATOM 695 O ALA A 49 -18.531 -0.633 -5.547 1.00 0.00 O ATOM 696 CB ALA A 49 -18.819 -0.605 -2.256 1.00 0.00 C ATOM 0 H ALA A 49 -17.334 -2.630 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.645 -1.935 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.335 0.274 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.402 -1.040 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.837 -0.314 -1.883 1.00 0.00 H new ATOM 702 N ALA A 50 -16.599 -0.947 -4.461 1.00 0.00 N ATOM 703 CA ALA A 50 -15.825 -0.371 -5.461 1.00 0.00 C ATOM 704 C ALA A 50 -14.711 -1.321 -5.809 1.00 0.00 C ATOM 705 O ALA A 50 -13.741 -1.430 -5.068 1.00 0.00 O ATOM 706 CB ALA A 50 -15.269 0.934 -4.952 1.00 0.00 C ATOM 0 H ALA A 50 -16.064 -1.302 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.421 -0.177 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.659 1.397 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.090 1.601 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.655 0.749 -4.070 1.00 0.00 H new ATOM 712 N PRO A 51 -14.849 -2.079 -6.896 1.00 0.00 N ATOM 713 CA PRO A 51 -13.806 -3.011 -7.353 1.00 0.00 C ATOM 714 C PRO A 51 -12.608 -2.279 -8.010 1.00 0.00 C ATOM 715 O PRO A 51 -12.154 -2.623 -9.113 1.00 0.00 O ATOM 716 CB PRO A 51 -14.543 -3.899 -8.354 1.00 0.00 C ATOM 717 CG PRO A 51 -15.668 -3.071 -8.858 1.00 0.00 C ATOM 718 CD PRO A 51 -16.059 -2.148 -7.743 1.00 0.00 C ATOM 0 HA PRO A 51 -13.359 -3.571 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.885 -4.205 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.907 -4.810 -7.878 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.367 -2.506 -9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.509 -3.699 -9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.340 -1.164 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.914 -2.533 -7.187 1.00 0.00 H new ATOM 726 N LEU A 52 -12.110 -1.286 -7.313 1.00 0.00 N ATOM 727 CA LEU A 52 -10.938 -0.542 -7.717 1.00 0.00 C ATOM 728 C LEU A 52 -9.707 -1.192 -7.088 1.00 0.00 C ATOM 729 O LEU A 52 -9.837 -2.142 -6.328 1.00 0.00 O ATOM 730 CB LEU A 52 -11.080 0.970 -7.318 1.00 0.00 C ATOM 731 CG LEU A 52 -11.705 1.268 -5.932 1.00 0.00 C ATOM 732 CD1 LEU A 52 -10.726 1.094 -4.800 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.365 2.626 -5.868 1.00 0.00 C ATOM 0 H LEU A 52 -12.514 -0.966 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.829 -0.568 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.090 1.425 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.684 1.467 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.487 0.519 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.220 1.316 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.364 0.066 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.885 1.774 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.785 2.780 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.625 3.400 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.161 2.679 -6.611 1.00 0.00 H new ATOM 745 N GLN A 53 -8.541 -0.719 -7.425 1.00 0.00 N ATOM 746 CA GLN A 53 -7.319 -1.231 -6.831 1.00 0.00 C ATOM 747 C GLN A 53 -7.184 -0.801 -5.381 1.00 0.00 C ATOM 748 O GLN A 53 -7.268 0.375 -5.070 1.00 0.00 O ATOM 749 CB GLN A 53 -6.118 -0.716 -7.567 1.00 0.00 C ATOM 750 CG GLN A 53 -5.534 -1.585 -8.627 1.00 0.00 C ATOM 751 CD GLN A 53 -4.346 -0.885 -9.221 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.446 -0.224 -10.255 1.00 0.00 O ATOM 753 NE2 GLN A 53 -3.248 -0.896 -8.500 1.00 0.00 N ATOM 0 H GLN A 53 -8.401 0.024 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.372 -2.318 -6.892 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.387 0.237 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.338 -0.509 -6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.236 -2.545 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.276 -1.791 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.202 -1.456 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.441 -0.344 -8.791 1.00 0.00 H new ATOM 762 N TYR A 54 -6.960 -1.735 -4.521 1.00 0.00 N ATOM 763 CA TYR A 54 -6.701 -1.442 -3.140 1.00 0.00 C ATOM 764 C TYR A 54 -5.237 -1.531 -2.907 1.00 0.00 C ATOM 765 O TYR A 54 -4.548 -2.401 -3.489 1.00 0.00 O ATOM 766 CB TYR A 54 -7.511 -2.344 -2.184 1.00 0.00 C ATOM 767 CG TYR A 54 -8.975 -1.992 -2.197 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.781 -2.346 -3.258 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.524 -1.229 -1.187 1.00 0.00 C ATOM 770 CE1 TYR A 54 -11.090 -1.963 -3.310 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.831 -0.821 -1.241 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.608 -1.196 -2.307 1.00 0.00 C ATOM 773 OH TYR A 54 -12.883 -0.748 -2.397 1.00 0.00 O ATOM 0 H TYR A 54 -6.950 -2.729 -4.750 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.036 -0.429 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.385 -3.387 -2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.121 -2.244 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.369 -2.937 -4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.914 -0.949 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.712 -2.265 -4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.245 -0.210 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.238 -0.948 -3.288 1.00 0.00 H new ATOM 783 N VAL A 55 -4.735 -0.654 -2.108 1.00 0.00 N ATOM 784 CA VAL A 55 -3.344 -0.594 -1.895 1.00 0.00 C ATOM 785 C VAL A 55 -3.126 -0.650 -0.420 1.00 0.00 C ATOM 786 O VAL A 55 -4.057 -0.437 0.341 1.00 0.00 O ATOM 787 CB VAL A 55 -2.731 0.717 -2.495 1.00 0.00 C ATOM 788 CG1 VAL A 55 -3.047 1.946 -1.654 1.00 0.00 C ATOM 789 CG2 VAL A 55 -1.249 0.583 -2.724 1.00 0.00 C ATOM 0 H VAL A 55 -5.280 0.035 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.849 -1.426 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.208 0.864 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.599 2.827 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.127 2.078 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.641 1.815 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.860 1.512 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.752 0.374 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.061 -0.234 -3.421 1.00 0.00 H new ATOM 799 N GLY A 56 -1.974 -1.024 -0.029 1.00 0.00 N ATOM 800 CA GLY A 56 -1.665 -0.986 1.357 1.00 0.00 C ATOM 801 C GLY A 56 -0.323 -0.468 1.620 1.00 0.00 C ATOM 802 O GLY A 56 0.616 -0.820 0.962 1.00 0.00 O ATOM 0 H GLY A 56 -1.227 -1.360 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.398 -0.365 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.751 -1.990 1.772 1.00 0.00 H new ATOM 806 N VAL A 57 -0.231 0.385 2.570 1.00 0.00 N ATOM 807 CA VAL A 57 1.033 0.886 3.010 1.00 0.00 C ATOM 808 C VAL A 57 1.144 0.382 4.412 1.00 0.00 C ATOM 809 O VAL A 57 0.116 0.261 5.075 1.00 0.00 O ATOM 810 CB VAL A 57 1.085 2.451 2.999 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.466 2.970 3.379 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.648 3.019 1.651 1.00 0.00 C ATOM 0 H VAL A 57 -1.033 0.764 3.074 1.00 0.00 H new ATOM 0 HA VAL A 57 1.844 0.561 2.359 1.00 0.00 H new ATOM 0 HB VAL A 57 0.378 2.796 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.463 4.060 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.721 2.625 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.203 2.597 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.697 4.107 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.309 2.648 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.375 2.708 1.439 1.00 0.00 H new ATOM 822 N PHE A 58 2.304 -0.002 4.846 1.00 0.00 N ATOM 823 CA PHE A 58 2.431 -0.476 6.217 1.00 0.00 C ATOM 824 C PHE A 58 3.881 -0.672 6.532 1.00 0.00 C ATOM 825 O PHE A 58 4.715 -0.796 5.608 1.00 0.00 O ATOM 826 CB PHE A 58 1.672 -1.831 6.353 1.00 0.00 C ATOM 827 CG PHE A 58 1.378 -2.302 7.750 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.486 -1.610 8.548 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.972 -3.444 8.252 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.196 -2.047 9.822 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.685 -3.890 9.525 1.00 0.00 C ATOM 832 CZ PHE A 58 0.797 -3.189 10.313 1.00 0.00 C ATOM 0 H PHE A 58 3.165 -0.003 4.299 1.00 0.00 H new ATOM 0 HA PHE A 58 2.006 0.250 6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.727 -1.747 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.257 -2.601 5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.011 -0.717 8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.670 -3.995 7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.501 -1.497 10.436 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.155 -4.786 9.904 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.572 -3.532 11.312 1.00 0.00 H new ATOM 842 N ARG A 59 4.227 -0.642 7.790 1.00 0.00 N ATOM 843 CA ARG A 59 5.535 -1.069 8.160 1.00 0.00 C ATOM 844 C ARG A 59 5.406 -2.545 8.324 1.00 0.00 C ATOM 845 O ARG A 59 4.977 -3.037 9.362 1.00 0.00 O ATOM 846 CB ARG A 59 6.043 -0.450 9.464 1.00 0.00 C ATOM 847 CG ARG A 59 6.152 1.062 9.473 1.00 0.00 C ATOM 848 CD ARG A 59 6.854 1.533 10.740 1.00 0.00 C ATOM 849 NE ARG A 59 6.209 1.015 11.959 1.00 0.00 N ATOM 850 CZ ARG A 59 6.785 0.940 13.166 1.00 0.00 C ATOM 851 NH1 ARG A 59 8.030 1.379 13.347 1.00 0.00 N ATOM 852 NH2 ARG A 59 6.117 0.421 14.186 1.00 0.00 N ATOM 0 H ARG A 59 3.631 -0.332 8.557 1.00 0.00 H new ATOM 0 HA ARG A 59 6.258 -0.762 7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.378 -0.753 10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.025 -0.868 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.705 1.399 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.158 1.506 9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.895 1.211 10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.857 2.623 10.768 1.00 0.00 H new ATOM 0 HE ARG A 59 5.247 0.687 11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.550 1.775 12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.463 1.319 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.165 0.079 14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.554 0.363 15.106 1.00 0.00 H new ATOM 866 N ASN A 60 5.693 -3.236 7.271 1.00 0.00 N ATOM 867 CA ASN A 60 5.518 -4.614 7.225 1.00 0.00 C ATOM 868 C ASN A 60 6.753 -5.225 7.692 1.00 0.00 C ATOM 869 O ASN A 60 7.836 -4.998 7.152 1.00 0.00 O ATOM 870 CB ASN A 60 5.176 -5.108 5.824 1.00 0.00 C ATOM 871 CG ASN A 60 3.832 -4.613 5.295 1.00 0.00 C ATOM 872 OD1 ASN A 60 2.797 -5.219 5.528 1.00 0.00 O ATOM 873 ND2 ASN A 60 3.841 -3.532 4.548 1.00 0.00 N ATOM 0 H ASN A 60 6.062 -2.832 6.411 1.00 0.00 H new ATOM 0 HA ASN A 60 4.676 -4.892 7.859 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.962 -4.792 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.173 -6.198 5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.971 -3.181 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.718 -3.044 4.368 1.00 0.00 H new ATOM 880 N HIS A 61 6.611 -5.904 8.716 1.00 0.00 N ATOM 881 CA HIS A 61 7.701 -6.576 9.347 1.00 0.00 C ATOM 882 C HIS A 61 7.764 -7.964 8.784 1.00 0.00 C ATOM 883 O HIS A 61 8.740 -8.353 8.142 1.00 0.00 O ATOM 884 CB HIS A 61 7.475 -6.656 10.865 1.00 0.00 C ATOM 885 CG HIS A 61 7.056 -5.366 11.510 1.00 0.00 C ATOM 886 ND1 HIS A 61 5.797 -5.142 12.032 1.00 0.00 N ATOM 887 CD2 HIS A 61 7.745 -4.230 11.705 1.00 0.00 C ATOM 888 CE1 HIS A 61 5.761 -3.900 12.510 1.00 0.00 C ATOM 889 NE2 HIS A 61 6.922 -3.294 12.339 1.00 0.00 N ATOM 0 H HIS A 61 5.715 -6.036 9.185 1.00 0.00 H new ATOM 0 HA HIS A 61 8.629 -6.034 9.165 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.713 -7.410 11.065 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.395 -6.999 11.337 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.773 -4.065 11.417 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.898 -3.448 12.976 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.167 -2.342 12.612 1.00 0.00 H new ATOM 897 N ASP A 62 6.681 -8.683 8.963 1.00 0.00 N ATOM 898 CA ASP A 62 6.596 -10.051 8.534 1.00 0.00 C ATOM 899 C ASP A 62 5.992 -10.122 7.170 1.00 0.00 C ATOM 900 O ASP A 62 4.901 -9.597 6.931 1.00 0.00 O ATOM 901 CB ASP A 62 5.793 -10.885 9.512 1.00 0.00 C ATOM 902 CG ASP A 62 5.798 -12.330 9.125 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.801 -13.026 9.393 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.827 -12.784 8.534 1.00 0.00 O ATOM 0 H ASP A 62 5.835 -8.331 9.411 1.00 0.00 H new ATOM 0 HA ASP A 62 7.606 -10.460 8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.207 -10.773 10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.767 -10.519 9.548 1.00 0.00 H new ATOM 909 N ILE A 63 6.702 -10.763 6.276 1.00 0.00 N ATOM 910 CA ILE A 63 6.289 -10.886 4.899 1.00 0.00 C ATOM 911 C ILE A 63 5.020 -11.716 4.749 1.00 0.00 C ATOM 912 O ILE A 63 4.192 -11.449 3.876 1.00 0.00 O ATOM 913 CB ILE A 63 7.433 -11.436 4.006 1.00 0.00 C ATOM 914 CG1 ILE A 63 6.969 -11.579 2.566 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.959 -12.766 4.538 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.084 -11.808 1.593 1.00 0.00 C ATOM 0 H ILE A 63 7.591 -11.218 6.484 1.00 0.00 H new ATOM 0 HA ILE A 63 6.053 -9.880 4.552 1.00 0.00 H new ATOM 0 HB ILE A 63 8.253 -10.718 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.266 -12.409 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.426 -10.679 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.759 -13.126 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.344 -12.627 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.150 -13.497 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.676 -11.900 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.776 -10.967 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.613 -12.724 1.855 1.00 0.00 H new ATOM 928 N ALA A 64 4.813 -12.641 5.643 1.00 0.00 N ATOM 929 CA ALA A 64 3.651 -13.511 5.542 1.00 0.00 C ATOM 930 C ALA A 64 2.405 -12.757 5.970 1.00 0.00 C ATOM 931 O ALA A 64 1.293 -13.093 5.576 1.00 0.00 O ATOM 932 CB ALA A 64 3.837 -14.784 6.347 1.00 0.00 C ATOM 0 H ALA A 64 5.419 -12.820 6.444 1.00 0.00 H new ATOM 0 HA ALA A 64 3.533 -13.813 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.950 -15.410 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.706 -15.326 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.988 -14.532 7.397 1.00 0.00 H new ATOM 938 N ASP A 65 2.616 -11.682 6.696 1.00 0.00 N ATOM 939 CA ASP A 65 1.526 -10.835 7.173 1.00 0.00 C ATOM 940 C ASP A 65 1.086 -9.925 6.049 1.00 0.00 C ATOM 941 O ASP A 65 -0.080 -9.495 5.971 1.00 0.00 O ATOM 942 CB ASP A 65 1.962 -10.024 8.399 1.00 0.00 C ATOM 943 CG ASP A 65 0.895 -9.060 8.901 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.075 -9.508 9.560 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.005 -7.850 8.674 1.00 0.00 O ATOM 0 H ASP A 65 3.544 -11.364 6.976 1.00 0.00 H new ATOM 0 HA ASP A 65 0.687 -11.460 7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.227 -10.710 9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.862 -9.461 8.151 1.00 0.00 H new ATOM 950 N VAL A 66 2.021 -9.673 5.152 1.00 0.00 N ATOM 951 CA VAL A 66 1.769 -8.893 3.965 1.00 0.00 C ATOM 952 C VAL A 66 0.989 -9.764 3.010 1.00 0.00 C ATOM 953 O VAL A 66 -0.024 -9.342 2.448 1.00 0.00 O ATOM 954 CB VAL A 66 3.078 -8.472 3.262 1.00 0.00 C ATOM 955 CG1 VAL A 66 2.803 -7.449 2.174 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.083 -7.949 4.252 1.00 0.00 C ATOM 0 H VAL A 66 2.981 -10.008 5.231 1.00 0.00 H new ATOM 0 HA VAL A 66 1.229 -7.990 4.248 1.00 0.00 H new ATOM 0 HB VAL A 66 3.505 -9.358 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.740 -7.168 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.130 -7.879 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.342 -6.565 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.994 -7.661 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.670 -7.081 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.314 -8.726 4.981 1.00 0.00 H new ATOM 966 N VAL A 67 1.448 -11.024 2.883 1.00 0.00 N ATOM 967 CA VAL A 67 0.805 -12.012 1.995 1.00 0.00 C ATOM 968 C VAL A 67 -0.637 -12.226 2.440 1.00 0.00 C ATOM 969 O VAL A 67 -1.543 -12.379 1.622 1.00 0.00 O ATOM 970 CB VAL A 67 1.553 -13.387 1.997 1.00 0.00 C ATOM 971 CG1 VAL A 67 0.859 -14.392 1.082 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.000 -13.223 1.566 1.00 0.00 C ATOM 0 H VAL A 67 2.261 -11.382 3.384 1.00 0.00 H new ATOM 0 HA VAL A 67 0.842 -11.616 0.980 1.00 0.00 H new ATOM 0 HB VAL A 67 1.530 -13.766 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.400 -15.338 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.163 -14.551 1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.843 -14.006 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.495 -14.194 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.035 -12.809 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.510 -12.548 2.253 1.00 0.00 H new ATOM 982 N ASP A 68 -0.819 -12.199 3.740 1.00 0.00 N ATOM 983 CA ASP A 68 -2.113 -12.323 4.381 1.00 0.00 C ATOM 984 C ASP A 68 -3.097 -11.285 3.852 1.00 0.00 C ATOM 985 O ASP A 68 -4.115 -11.640 3.263 1.00 0.00 O ATOM 986 CB ASP A 68 -1.938 -12.188 5.895 1.00 0.00 C ATOM 987 CG ASP A 68 -3.228 -12.010 6.645 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.992 -12.976 6.795 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.488 -10.887 7.113 1.00 0.00 O ATOM 0 H ASP A 68 -0.051 -12.087 4.402 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.529 -13.304 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.429 -13.075 6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.289 -11.337 6.101 1.00 0.00 H new ATOM 994 N LYS A 69 -2.746 -10.014 3.984 1.00 0.00 N ATOM 995 CA LYS A 69 -3.629 -8.918 3.561 1.00 0.00 C ATOM 996 C LYS A 69 -3.799 -8.956 2.050 1.00 0.00 C ATOM 997 O LYS A 69 -4.907 -8.765 1.526 1.00 0.00 O ATOM 998 CB LYS A 69 -3.033 -7.550 3.939 1.00 0.00 C ATOM 999 CG LYS A 69 -2.576 -7.399 5.380 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.689 -7.615 6.379 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.130 -7.636 7.793 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.146 -8.737 7.959 1.00 0.00 N ATOM 0 H LYS A 69 -1.857 -9.708 4.380 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.587 -9.047 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.182 -7.353 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.778 -6.782 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.775 -8.111 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.158 -6.402 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.430 -6.822 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.199 -8.555 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.653 -6.681 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.943 -7.759 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.741 -8.699 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.621 -9.651 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.386 -8.632 7.257 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.690 -9.226 1.368 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.637 -9.272 -0.081 1.00 0.00 C ATOM 1018 C ALA A 70 -3.546 -10.350 -0.644 1.00 0.00 C ATOM 1019 O ALA A 70 -4.042 -10.224 -1.758 1.00 0.00 O ATOM 1020 CB ALA A 70 -1.209 -9.478 -0.553 1.00 0.00 C ATOM 0 H ALA A 70 -1.795 -9.421 1.816 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.997 -8.313 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.187 -9.510 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.587 -8.655 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.826 -10.417 -0.154 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.750 -11.400 0.111 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.636 -12.455 -0.291 1.00 0.00 C ATOM 1028 C LYS A 71 -6.076 -12.121 0.065 1.00 0.00 C ATOM 1029 O LYS A 71 -6.930 -12.038 -0.816 1.00 0.00 O ATOM 1030 CB LYS A 71 -4.247 -13.761 0.364 1.00 0.00 C ATOM 1031 CG LYS A 71 -5.152 -14.915 -0.023 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.774 -16.178 0.708 1.00 0.00 C ATOM 1033 CE LYS A 71 -5.056 -16.092 2.201 1.00 0.00 C ATOM 1034 NZ LYS A 71 -4.623 -17.314 2.905 1.00 0.00 N ATOM 0 H LYS A 71 -3.307 -11.544 1.018 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.553 -12.559 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.220 -14.005 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.269 -13.638 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.187 -14.659 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.091 -15.083 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.325 -17.018 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.714 -16.381 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.541 -15.228 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.123 -15.937 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.830 -17.222 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.133 -18.135 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.600 -17.448 2.771 1.00 0.00 H new ATOM 1048 N VAL A 72 -6.327 -11.925 1.362 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.682 -11.669 1.903 1.00 0.00 C ATOM 1050 C VAL A 72 -8.401 -10.542 1.141 1.00 0.00 C ATOM 1051 O VAL A 72 -9.459 -10.763 0.540 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.644 -11.320 3.425 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -9.043 -11.113 3.985 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.922 -12.397 4.219 1.00 0.00 C ATOM 0 H VAL A 72 -5.599 -11.938 2.077 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.240 -12.595 1.768 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.093 -10.385 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.978 -10.872 5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.529 -10.294 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.626 -12.025 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.912 -12.126 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.438 -13.349 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.898 -12.490 3.858 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.813 -9.358 1.146 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.389 -8.227 0.453 1.00 0.00 C ATOM 1066 C LEU A 73 -8.119 -8.314 -1.047 1.00 0.00 C ATOM 1067 O LEU A 73 -8.841 -7.725 -1.849 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.788 -6.934 1.010 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.377 -5.626 0.492 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.873 -5.597 0.721 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.718 -4.457 1.191 1.00 0.00 C ATOM 0 H LEU A 73 -6.935 -9.158 1.625 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.468 -8.233 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.894 -6.949 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.720 -6.935 0.794 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.190 -5.552 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.280 -4.658 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.338 -6.430 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.079 -5.682 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.141 -3.524 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.891 -4.530 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.646 -4.473 0.994 1.00 0.00 H new ATOM 1083 N SER A 74 -7.099 -9.082 -1.402 1.00 0.00 N ATOM 1084 CA SER A 74 -6.612 -9.177 -2.765 1.00 0.00 C ATOM 1085 C SER A 74 -6.166 -7.796 -3.255 1.00 0.00 C ATOM 1086 O SER A 74 -6.875 -7.102 -3.996 1.00 0.00 O ATOM 1087 CB SER A 74 -7.625 -9.849 -3.712 1.00 0.00 C ATOM 1088 OG SER A 74 -7.961 -11.161 -3.256 1.00 0.00 O ATOM 0 H SER A 74 -6.582 -9.662 -0.742 1.00 0.00 H new ATOM 0 HA SER A 74 -5.743 -9.835 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.527 -9.240 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.206 -9.906 -4.717 1.00 0.00 H new ATOM 0 HG SER A 74 -7.503 -11.340 -2.408 1.00 0.00 H new ATOM 1094 N LEU A 75 -5.027 -7.368 -2.739 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.448 -6.088 -3.054 1.00 0.00 C ATOM 1096 C LEU A 75 -3.890 -6.056 -4.442 1.00 0.00 C ATOM 1097 O LEU A 75 -3.920 -7.052 -5.173 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.344 -5.778 -2.068 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.787 -5.595 -0.644 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.587 -5.613 0.263 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.535 -4.280 -0.520 1.00 0.00 C ATOM 0 H LEU A 75 -4.475 -7.915 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.239 -5.340 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.612 -6.585 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.834 -4.871 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.452 -6.408 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.909 -5.480 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.070 -6.568 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.910 -4.804 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.859 -4.142 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.878 -3.459 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.406 -4.294 -1.175 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.340 -4.941 -4.782 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.789 -4.751 -6.068 1.00 0.00 C ATOM 1115 C ALA A 76 -1.408 -4.262 -5.889 1.00 0.00 C ATOM 1116 O ALA A 76 -0.513 -4.696 -6.545 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.616 -3.784 -6.857 1.00 0.00 C ATOM 0 H ALA A 76 -3.262 -4.132 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.781 -5.686 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.176 -3.650 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.629 -4.172 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.646 -2.825 -6.340 1.00 0.00 H new ATOM 1123 N ALA A 77 -1.242 -3.335 -4.990 1.00 0.00 N ATOM 1124 CA ALA A 77 0.066 -2.899 -4.608 1.00 0.00 C ATOM 1125 C ALA A 77 0.158 -2.733 -3.104 1.00 0.00 C ATOM 1126 O ALA A 77 -0.858 -2.588 -2.420 1.00 0.00 O ATOM 1127 CB ALA A 77 0.428 -1.624 -5.303 1.00 0.00 C ATOM 0 H ALA A 77 -2.006 -2.864 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 77 0.779 -3.665 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.427 -1.313 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.412 -1.780 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.291 -0.849 -5.038 1.00 0.00 H new ATOM 1133 N VAL A 78 1.357 -2.789 -2.609 1.00 0.00 N ATOM 1134 CA VAL A 78 1.650 -2.602 -1.189 1.00 0.00 C ATOM 1135 C VAL A 78 2.957 -1.813 -1.059 1.00 0.00 C ATOM 1136 O VAL A 78 3.857 -1.977 -1.870 1.00 0.00 O ATOM 1137 CB VAL A 78 1.760 -3.963 -0.448 1.00 0.00 C ATOM 1138 CG1 VAL A 78 2.813 -4.833 -1.111 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.082 -3.776 1.034 1.00 0.00 C ATOM 0 H VAL A 78 2.185 -2.968 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 78 0.832 -2.049 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 78 0.791 -4.458 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.883 -5.785 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.535 -5.012 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.778 -4.327 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.151 -4.751 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.032 -3.252 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.293 -3.191 1.507 1.00 0.00 H new ATOM 1149 N GLN A 79 3.027 -0.897 -0.122 1.00 0.00 N ATOM 1150 CA GLN A 79 4.149 -0.084 0.042 1.00 0.00 C ATOM 1151 C GLN A 79 4.968 -0.538 1.191 1.00 0.00 C ATOM 1152 O GLN A 79 4.469 -0.676 2.321 1.00 0.00 O ATOM 1153 CB GLN A 79 3.745 1.363 0.204 1.00 0.00 C ATOM 1154 CG GLN A 79 3.465 2.093 -1.088 1.00 0.00 C ATOM 1155 CD GLN A 79 2.209 1.644 -1.789 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.150 2.212 -1.585 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.303 0.590 -2.582 1.00 0.00 N ATOM 0 H GLN A 79 2.278 -0.714 0.546 1.00 0.00 H new ATOM 0 HA GLN A 79 4.759 -0.165 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.854 1.408 0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.537 1.889 0.737 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.391 3.161 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.312 1.957 -1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.207 0.141 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.471 0.226 -3.047 1.00 0.00 H new ATOM 1166 N LEU A 80 6.205 -0.786 0.911 1.00 0.00 N ATOM 1167 CA LEU A 80 7.118 -1.255 1.899 1.00 0.00 C ATOM 1168 C LEU A 80 8.041 -0.164 2.357 1.00 0.00 C ATOM 1169 O LEU A 80 8.523 0.652 1.554 1.00 0.00 O ATOM 1170 CB LEU A 80 7.928 -2.476 1.407 1.00 0.00 C ATOM 1171 CG LEU A 80 7.232 -3.855 1.446 1.00 0.00 C ATOM 1172 CD1 LEU A 80 6.810 -4.200 2.848 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.046 -3.936 0.506 1.00 0.00 C ATOM 0 H LEU A 80 6.613 -0.668 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 80 6.518 -1.576 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.236 -2.283 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.837 -2.541 2.006 1.00 0.00 H new ATOM 0 HG LEU A 80 7.965 -4.585 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.322 -5.175 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.687 -4.231 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.115 -3.445 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.595 -4.926 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.310 -3.182 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.379 -3.759 -0.516 1.00 0.00 H new ATOM 1185 N HIS A 81 8.245 -0.124 3.642 1.00 0.00 N ATOM 1186 CA HIS A 81 9.186 0.772 4.233 1.00 0.00 C ATOM 1187 C HIS A 81 10.526 0.083 4.251 1.00 0.00 C ATOM 1188 O HIS A 81 10.792 -0.775 5.092 1.00 0.00 O ATOM 1189 CB HIS A 81 8.750 1.207 5.641 1.00 0.00 C ATOM 1190 CG HIS A 81 7.550 2.116 5.645 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.243 1.687 5.760 1.00 0.00 N ATOM 1192 CD2 HIS A 81 7.485 3.464 5.543 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.453 2.764 5.724 1.00 0.00 C ATOM 1194 NE2 HIS A 81 6.158 3.865 5.593 1.00 0.00 N ATOM 0 H HIS A 81 7.757 -0.719 4.312 1.00 0.00 H new ATOM 0 HA HIS A 81 9.247 1.688 3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.526 0.320 6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.582 1.715 6.130 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.935 0.719 5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.333 4.124 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.376 2.734 5.794 1.00 0.00 H new ATOM 1202 N GLY A 82 11.338 0.433 3.282 1.00 0.00 N ATOM 1203 CA GLY A 82 12.640 -0.187 3.072 1.00 0.00 C ATOM 1204 C GLY A 82 13.611 -0.062 4.219 1.00 0.00 C ATOM 1205 O GLY A 82 14.629 -0.736 4.237 1.00 0.00 O ATOM 0 H GLY A 82 11.118 1.164 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.489 -1.246 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.094 0.254 2.185 1.00 0.00 H new ATOM 1209 N ASN A 83 13.303 0.795 5.163 1.00 0.00 N ATOM 1210 CA ASN A 83 14.112 0.963 6.374 1.00 0.00 C ATOM 1211 C ASN A 83 14.226 -0.379 7.129 1.00 0.00 C ATOM 1212 O ASN A 83 15.214 -0.631 7.838 1.00 0.00 O ATOM 1213 CB ASN A 83 13.491 2.044 7.279 1.00 0.00 C ATOM 1214 CG ASN A 83 14.313 2.344 8.528 1.00 0.00 C ATOM 1215 OD1 ASN A 83 14.125 1.735 9.578 1.00 0.00 O ATOM 1216 ND2 ASN A 83 15.222 3.281 8.424 1.00 0.00 N ATOM 0 H ASN A 83 12.485 1.403 5.125 1.00 0.00 H new ATOM 0 HA ASN A 83 15.114 1.284 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.372 2.962 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.493 1.724 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.799 3.524 9.230 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.353 3.768 7.537 1.00 0.00 H new ATOM 1223 N GLU A 84 13.221 -1.248 6.936 1.00 0.00 N ATOM 1224 CA GLU A 84 13.179 -2.561 7.555 1.00 0.00 C ATOM 1225 C GLU A 84 14.388 -3.390 7.062 1.00 0.00 C ATOM 1226 O GLU A 84 15.127 -3.988 7.867 1.00 0.00 O ATOM 1227 CB GLU A 84 11.859 -3.234 7.158 1.00 0.00 C ATOM 1228 CG GLU A 84 11.454 -4.413 8.021 1.00 0.00 C ATOM 1229 CD GLU A 84 11.315 -4.025 9.478 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.474 -3.155 9.802 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.078 -4.556 10.311 1.00 0.00 O ATOM 0 H GLU A 84 12.416 -1.048 6.342 1.00 0.00 H new ATOM 0 HA GLU A 84 13.233 -2.485 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.064 -2.489 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.937 -3.570 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.508 -4.818 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.197 -5.205 7.925 1.00 0.00 H new ATOM 1238 N GLU A 85 14.594 -3.367 5.745 1.00 0.00 N ATOM 1239 CA GLU A 85 15.716 -3.998 5.058 1.00 0.00 C ATOM 1240 C GLU A 85 15.522 -3.752 3.563 1.00 0.00 C ATOM 1241 O GLU A 85 14.383 -3.724 3.099 1.00 0.00 O ATOM 1242 CB GLU A 85 15.781 -5.508 5.354 1.00 0.00 C ATOM 1243 CG GLU A 85 16.958 -6.223 4.725 1.00 0.00 C ATOM 1244 CD GLU A 85 16.968 -7.695 5.006 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.551 -8.121 6.032 1.00 0.00 O ATOM 1246 OE2 GLU A 85 16.412 -8.456 4.213 1.00 0.00 O ATOM 0 H GLU A 85 13.959 -2.890 5.105 1.00 0.00 H new ATOM 0 HA GLU A 85 16.657 -3.572 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.820 -5.652 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.860 -5.974 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.938 -6.065 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.884 -5.782 5.095 1.00 0.00 H new ATOM 1253 N GLN A 86 16.604 -3.591 2.811 1.00 0.00 N ATOM 1254 CA GLN A 86 16.528 -3.274 1.410 1.00 0.00 C ATOM 1255 C GLN A 86 16.149 -4.512 0.630 1.00 0.00 C ATOM 1256 O GLN A 86 15.265 -4.510 -0.220 1.00 0.00 O ATOM 1257 CB GLN A 86 17.885 -2.765 0.948 1.00 0.00 C ATOM 1258 CG GLN A 86 18.365 -1.500 1.651 1.00 0.00 C ATOM 1259 CD GLN A 86 19.753 -1.087 1.236 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.938 -0.323 0.277 1.00 0.00 O ATOM 1261 NE2 GLN A 86 20.732 -1.564 1.939 1.00 0.00 N ATOM 0 H GLN A 86 17.556 -3.679 3.166 1.00 0.00 H new ATOM 0 HA GLN A 86 15.772 -2.507 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.624 -3.552 1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 86 17.840 -2.574 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 86 17.671 -0.687 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.347 -1.661 2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.541 -2.190 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 86 21.694 -1.313 1.710 1.00 0.00 H new ATOM 1270 N LEU A 87 16.791 -5.569 0.999 1.00 0.00 N ATOM 1271 CA LEU A 87 16.645 -6.882 0.397 1.00 0.00 C ATOM 1272 C LEU A 87 15.321 -7.515 0.782 1.00 0.00 C ATOM 1273 O LEU A 87 14.898 -8.526 0.221 1.00 0.00 O ATOM 1274 CB LEU A 87 17.808 -7.737 0.816 1.00 0.00 C ATOM 1275 CG LEU A 87 19.158 -7.162 0.415 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.274 -7.870 1.123 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.353 -7.226 -1.094 1.00 0.00 C ATOM 0 H LEU A 87 17.467 -5.556 1.763 1.00 0.00 H new ATOM 0 HA LEU A 87 16.643 -6.788 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.783 -7.865 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.698 -8.728 0.375 1.00 0.00 H new ATOM 0 HG LEU A 87 19.176 -6.114 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.228 -7.440 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.152 -7.756 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.255 -8.929 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.326 -6.809 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.304 -8.264 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.569 -6.651 -1.587 1.00 0.00 H new ATOM 1289 N TYR A 88 14.687 -6.932 1.766 1.00 0.00 N ATOM 1290 CA TYR A 88 13.387 -7.352 2.180 1.00 0.00 C ATOM 1291 C TYR A 88 12.389 -7.100 1.065 1.00 0.00 C ATOM 1292 O TYR A 88 11.566 -7.945 0.780 1.00 0.00 O ATOM 1293 CB TYR A 88 12.996 -6.649 3.470 1.00 0.00 C ATOM 1294 CG TYR A 88 11.590 -6.862 3.916 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.097 -8.136 4.116 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.758 -5.787 4.148 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.812 -8.344 4.530 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.465 -5.980 4.578 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.992 -7.268 4.764 1.00 0.00 C ATOM 1300 OH TYR A 88 7.705 -7.479 5.201 1.00 0.00 O ATOM 0 H TYR A 88 15.065 -6.150 2.301 1.00 0.00 H new ATOM 0 HA TYR A 88 13.392 -8.423 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.665 -6.984 4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.161 -5.579 3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.741 -8.986 3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.125 -4.783 3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.443 -9.349 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.823 -5.132 4.769 1.00 0.00 H new ATOM 0 HH TYR A 88 7.725 -7.895 6.088 1.00 0.00 H new ATOM 1310 N ILE A 89 12.533 -5.978 0.377 1.00 0.00 N ATOM 1311 CA ILE A 89 11.655 -5.642 -0.747 1.00 0.00 C ATOM 1312 C ILE A 89 11.805 -6.700 -1.843 1.00 0.00 C ATOM 1313 O ILE A 89 10.820 -7.163 -2.444 1.00 0.00 O ATOM 1314 CB ILE A 89 11.958 -4.228 -1.341 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.497 -3.090 -0.418 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.289 -4.062 -2.679 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.304 -2.905 0.823 1.00 0.00 C ATOM 0 H ILE A 89 13.250 -5.279 0.573 1.00 0.00 H new ATOM 0 HA ILE A 89 10.633 -5.624 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 89 13.041 -4.166 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.512 -2.158 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.461 -3.273 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 89 11.511 -3.072 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 89 11.660 -4.821 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.211 -4.173 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.895 -2.078 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.270 -3.817 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.337 -2.685 0.556 1.00 0.00 H new ATOM 1329 N ASP A 90 13.036 -7.122 -2.011 1.00 0.00 N ATOM 1330 CA ASP A 90 13.442 -8.146 -2.971 1.00 0.00 C ATOM 1331 C ASP A 90 12.797 -9.492 -2.611 1.00 0.00 C ATOM 1332 O ASP A 90 12.583 -10.351 -3.453 1.00 0.00 O ATOM 1333 CB ASP A 90 14.962 -8.247 -2.901 1.00 0.00 C ATOM 1334 CG ASP A 90 15.569 -9.244 -3.865 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.638 -8.952 -5.078 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.054 -10.311 -3.407 1.00 0.00 O ATOM 0 H ASP A 90 13.817 -6.755 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 90 13.121 -7.886 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.388 -7.264 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.249 -8.521 -1.886 1.00 0.00 H new ATOM 1341 N THR A 91 12.425 -9.603 -1.361 1.00 0.00 N ATOM 1342 CA THR A 91 11.834 -10.781 -0.798 1.00 0.00 C ATOM 1343 C THR A 91 10.299 -10.789 -1.009 1.00 0.00 C ATOM 1344 O THR A 91 9.712 -11.826 -1.339 1.00 0.00 O ATOM 1345 CB THR A 91 12.178 -10.839 0.694 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.610 -10.913 0.864 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.512 -12.000 1.354 1.00 0.00 C ATOM 0 H THR A 91 12.531 -8.845 -0.686 1.00 0.00 H new ATOM 0 HA THR A 91 12.234 -11.662 -1.301 1.00 0.00 H new ATOM 0 HB THR A 91 11.809 -9.930 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.011 -10.048 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.774 -12.016 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.431 -11.907 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.844 -12.926 0.884 1.00 0.00 H new ATOM 1355 N LEU A 92 9.653 -9.628 -0.814 1.00 0.00 N ATOM 1356 CA LEU A 92 8.222 -9.460 -1.050 1.00 0.00 C ATOM 1357 C LEU A 92 7.809 -9.978 -2.407 1.00 0.00 C ATOM 1358 O LEU A 92 6.783 -10.605 -2.541 1.00 0.00 O ATOM 1359 CB LEU A 92 7.776 -7.991 -0.931 1.00 0.00 C ATOM 1360 CG LEU A 92 7.497 -7.419 0.470 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.510 -8.262 1.196 1.00 0.00 C ATOM 1362 CD2 LEU A 92 8.728 -7.314 1.278 1.00 0.00 C ATOM 0 H LEU A 92 10.116 -8.780 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 92 7.730 -10.045 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.545 -7.373 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.870 -7.871 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 92 7.091 -6.418 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.328 -7.839 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.575 -8.292 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.903 -9.273 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.486 -6.906 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.171 -8.303 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.437 -6.656 0.776 1.00 0.00 H new ATOM 1374 N ARG A 93 8.656 -9.759 -3.395 1.00 0.00 N ATOM 1375 CA ARG A 93 8.349 -10.149 -4.783 1.00 0.00 C ATOM 1376 C ARG A 93 8.216 -11.629 -4.915 1.00 0.00 C ATOM 1377 O ARG A 93 7.534 -12.142 -5.794 1.00 0.00 O ATOM 1378 CB ARG A 93 9.441 -9.695 -5.751 1.00 0.00 C ATOM 1379 CG ARG A 93 9.854 -8.261 -5.599 1.00 0.00 C ATOM 1380 CD ARG A 93 8.667 -7.390 -5.271 1.00 0.00 C ATOM 1381 NE ARG A 93 7.531 -7.554 -6.245 1.00 0.00 N ATOM 1382 CZ ARG A 93 7.282 -6.837 -7.360 1.00 0.00 C ATOM 1383 NH1 ARG A 93 8.067 -5.842 -7.729 1.00 0.00 N ATOM 1384 NH2 ARG A 93 6.225 -7.143 -8.101 1.00 0.00 N ATOM 0 H ARG A 93 9.566 -9.314 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 93 7.406 -9.662 -5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.317 -10.328 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.092 -9.853 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.602 -8.176 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.321 -7.914 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.315 -7.628 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.981 -6.346 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 93 6.867 -8.300 -6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.883 -5.601 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.858 -5.315 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.614 -7.911 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.024 -6.610 -8.947 1.00 0.00 H new ATOM 1398 N GLU A 94 8.883 -12.288 -4.057 1.00 0.00 N ATOM 1399 CA GLU A 94 8.941 -13.738 -4.078 1.00 0.00 C ATOM 1400 C GLU A 94 7.695 -14.362 -3.465 1.00 0.00 C ATOM 1401 O GLU A 94 7.087 -15.261 -4.052 1.00 0.00 O ATOM 1402 CB GLU A 94 10.181 -14.236 -3.358 1.00 0.00 C ATOM 1403 CG GLU A 94 11.448 -13.578 -3.838 1.00 0.00 C ATOM 1404 CD GLU A 94 12.676 -14.175 -3.223 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.117 -13.724 -2.148 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.228 -15.123 -3.797 1.00 0.00 O ATOM 0 H GLU A 94 9.418 -11.858 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 94 8.990 -14.044 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.069 -14.058 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.265 -15.314 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.510 -13.666 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.411 -12.514 -3.606 1.00 0.00 H new ATOM 1413 N ALA A 95 7.301 -13.879 -2.301 1.00 0.00 N ATOM 1414 CA ALA A 95 6.157 -14.466 -1.596 1.00 0.00 C ATOM 1415 C ALA A 95 4.830 -13.909 -2.061 1.00 0.00 C ATOM 1416 O ALA A 95 3.780 -14.545 -1.915 1.00 0.00 O ATOM 1417 CB ALA A 95 6.308 -14.371 -0.094 1.00 0.00 C ATOM 0 H ALA A 95 7.743 -13.094 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 95 6.154 -15.524 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.438 -14.818 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.208 -14.903 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.387 -13.324 0.198 1.00 0.00 H new ATOM 1423 N LEU A 96 4.884 -12.756 -2.614 1.00 0.00 N ATOM 1424 CA LEU A 96 3.715 -12.090 -3.155 1.00 0.00 C ATOM 1425 C LEU A 96 3.638 -12.350 -4.625 1.00 0.00 C ATOM 1426 O LEU A 96 4.630 -12.175 -5.344 1.00 0.00 O ATOM 1427 CB LEU A 96 3.693 -10.569 -2.865 1.00 0.00 C ATOM 1428 CG LEU A 96 3.334 -10.126 -1.428 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.354 -10.594 -0.411 1.00 0.00 C ATOM 1430 CD2 LEU A 96 3.192 -8.623 -1.365 1.00 0.00 C ATOM 0 H LEU A 96 5.747 -12.222 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 96 2.839 -12.503 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.676 -10.165 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.981 -10.106 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 96 2.383 -10.594 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.058 -10.258 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.409 -11.683 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.331 -10.179 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.939 -8.324 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.133 -8.156 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.402 -8.303 -2.044 1.00 0.00 H new ATOM 1442 N PRO A 97 2.470 -12.780 -5.102 1.00 0.00 N ATOM 1443 CA PRO A 97 2.274 -13.124 -6.496 1.00 0.00 C ATOM 1444 C PRO A 97 2.408 -11.906 -7.394 1.00 0.00 C ATOM 1445 O PRO A 97 2.347 -10.760 -6.925 1.00 0.00 O ATOM 1446 CB PRO A 97 0.839 -13.665 -6.538 1.00 0.00 C ATOM 1447 CG PRO A 97 0.173 -13.029 -5.381 1.00 0.00 C ATOM 1448 CD PRO A 97 1.222 -12.935 -4.321 1.00 0.00 C ATOM 0 HA PRO A 97 3.015 -13.839 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.344 -13.406 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.821 -14.752 -6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.211 -12.043 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.676 -13.622 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.052 -12.086 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.245 -13.827 -3.696 1.00 0.00 H new ATOM 1456 N ALA A 98 2.535 -12.159 -8.679 1.00 0.00 N ATOM 1457 CA ALA A 98 2.694 -11.125 -9.706 1.00 0.00 C ATOM 1458 C ALA A 98 1.490 -10.186 -9.731 1.00 0.00 C ATOM 1459 O ALA A 98 1.550 -9.081 -10.269 1.00 0.00 O ATOM 1460 CB ALA A 98 2.841 -11.791 -11.062 1.00 0.00 C ATOM 0 H ALA A 98 2.532 -13.106 -9.058 1.00 0.00 H new ATOM 0 HA ALA A 98 3.582 -10.537 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.960 -11.028 -11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.717 -12.439 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.952 -12.385 -11.274 1.00 0.00 H new ATOM 1466 N HIS A 99 0.412 -10.643 -9.136 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.840 -9.916 -9.071 1.00 0.00 C ATOM 1468 C HIS A 99 -0.709 -8.721 -8.135 1.00 0.00 C ATOM 1469 O HIS A 99 -1.376 -7.704 -8.321 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.959 -10.839 -8.550 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.087 -12.125 -9.278 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.314 -13.337 -8.671 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -1.996 -12.369 -10.581 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -2.347 -14.270 -9.613 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -2.159 -13.733 -10.810 1.00 0.00 N ATOM 0 H HIS A 99 0.378 -11.551 -8.673 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.087 -9.567 -10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.777 -11.050 -7.496 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.908 -10.307 -8.609 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.823 -11.625 -11.344 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.505 -15.323 -9.430 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.138 -14.216 -11.708 1.00 0.00 H new ATOM 1483 N VAL A 100 0.161 -8.843 -7.137 1.00 0.00 N ATOM 1484 CA VAL A 100 0.379 -7.825 -6.192 1.00 0.00 C ATOM 1485 C VAL A 100 1.746 -7.191 -6.468 1.00 0.00 C ATOM 1486 O VAL A 100 2.723 -7.889 -6.781 1.00 0.00 O ATOM 1487 CB VAL A 100 0.339 -8.437 -4.780 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.582 -7.388 -3.753 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.995 -9.126 -4.532 1.00 0.00 C ATOM 0 H VAL A 100 0.729 -9.677 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.392 -7.058 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 100 1.129 -9.184 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.551 -7.837 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.561 -6.938 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.187 -6.620 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.003 -9.552 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.802 -8.400 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.136 -9.920 -5.265 1.00 0.00 H new ATOM 1499 N ALA A 101 1.796 -5.901 -6.408 1.00 0.00 N ATOM 1500 CA ALA A 101 2.987 -5.163 -6.663 1.00 0.00 C ATOM 1501 C ALA A 101 3.441 -4.500 -5.395 1.00 0.00 C ATOM 1502 O ALA A 101 2.702 -4.434 -4.423 1.00 0.00 O ATOM 1503 CB ALA A 101 2.742 -4.126 -7.745 1.00 0.00 C ATOM 0 H ALA A 101 0.992 -5.319 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 101 3.765 -5.842 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.661 -3.569 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.429 -4.624 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.960 -3.439 -7.420 1.00 0.00 H new ATOM 1509 N ILE A 102 4.627 -3.997 -5.409 1.00 0.00 N ATOM 1510 CA ILE A 102 5.204 -3.368 -4.274 1.00 0.00 C ATOM 1511 C ILE A 102 5.650 -1.998 -4.680 1.00 0.00 C ATOM 1512 O ILE A 102 6.273 -1.838 -5.721 1.00 0.00 O ATOM 1513 CB ILE A 102 6.438 -4.146 -3.681 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.050 -5.440 -2.910 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.277 -3.224 -2.806 1.00 0.00 C ATOM 1516 CD1 ILE A 102 5.551 -6.604 -3.755 1.00 0.00 C ATOM 0 H ILE A 102 5.235 -4.012 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 102 4.444 -3.344 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 102 7.031 -4.475 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.920 -5.775 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.277 -5.187 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.126 -3.777 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.639 -2.387 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.667 -2.848 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.312 -7.448 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.657 -6.301 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.326 -6.898 -4.463 1.00 0.00 H new ATOM 1528 N TRP A 103 5.337 -1.025 -3.899 1.00 0.00 N ATOM 1529 CA TRP A 103 5.790 0.309 -4.190 1.00 0.00 C ATOM 1530 C TRP A 103 6.586 0.780 -3.006 1.00 0.00 C ATOM 1531 O TRP A 103 6.508 0.179 -1.919 1.00 0.00 O ATOM 1532 CB TRP A 103 4.637 1.292 -4.462 1.00 0.00 C ATOM 1533 CG TRP A 103 3.673 0.921 -5.563 1.00 0.00 C ATOM 1534 CD1 TRP A 103 3.856 0.045 -6.580 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.373 1.462 -5.739 1.00 0.00 C ATOM 1536 NE1 TRP A 103 2.746 0.003 -7.371 1.00 0.00 N ATOM 1537 CE2 TRP A 103 1.820 0.872 -6.878 1.00 0.00 C ATOM 1538 CE3 TRP A 103 1.628 2.384 -5.030 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.546 1.183 -7.333 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.361 2.702 -5.476 1.00 0.00 C ATOM 1541 CH2 TRP A 103 -0.168 2.100 -6.619 1.00 0.00 C ATOM 0 H TRP A 103 4.772 -1.116 -3.055 1.00 0.00 H new ATOM 0 HA TRP A 103 6.388 0.281 -5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.069 1.413 -3.540 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.068 2.264 -4.701 1.00 0.00 H new ATOM 0 HD1 TRP A 103 4.752 -0.536 -6.741 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.628 -0.584 -8.197 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.030 2.848 -4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.136 0.717 -8.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.229 3.426 -4.934 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -1.163 2.366 -6.945 1.00 0.00 H new ATOM 1552 N LYS A 104 7.329 1.817 -3.177 1.00 0.00 N ATOM 1553 CA LYS A 104 8.123 2.329 -2.118 1.00 0.00 C ATOM 1554 C LYS A 104 7.616 3.702 -1.770 1.00 0.00 C ATOM 1555 O LYS A 104 7.470 4.565 -2.652 1.00 0.00 O ATOM 1556 CB LYS A 104 9.618 2.320 -2.524 1.00 0.00 C ATOM 1557 CG LYS A 104 10.635 2.664 -1.420 1.00 0.00 C ATOM 1558 CD LYS A 104 10.756 4.161 -1.151 1.00 0.00 C ATOM 1559 CE LYS A 104 11.726 4.448 -0.014 1.00 0.00 C ATOM 1560 NZ LYS A 104 11.943 5.894 0.177 1.00 0.00 N ATOM 0 H LYS A 104 7.403 2.333 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 104 8.045 1.704 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.859 1.331 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.753 3.026 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.344 2.159 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.613 2.273 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.094 4.668 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.775 4.568 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.341 4.014 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.680 3.963 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.837 6.047 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.987 6.364 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.158 6.293 0.730 1.00 0.00 H new ATOM 1574 N ALA A 105 7.287 3.870 -0.513 1.00 0.00 N ATOM 1575 CA ALA A 105 6.830 5.137 0.011 1.00 0.00 C ATOM 1576 C ALA A 105 8.002 6.093 0.067 1.00 0.00 C ATOM 1577 O ALA A 105 8.934 5.919 0.853 1.00 0.00 O ATOM 1578 CB ALA A 105 6.207 4.956 1.389 1.00 0.00 C ATOM 0 H ALA A 105 7.329 3.125 0.183 1.00 0.00 H new ATOM 0 HA ALA A 105 6.061 5.548 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.870 5.922 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.357 4.277 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.948 4.539 2.071 1.00 0.00 H new ATOM 1584 N LEU A 106 7.992 7.029 -0.806 1.00 0.00 N ATOM 1585 CA LEU A 106 9.031 7.975 -0.931 1.00 0.00 C ATOM 1586 C LEU A 106 8.679 9.229 -0.176 1.00 0.00 C ATOM 1587 O LEU A 106 7.832 10.021 -0.613 1.00 0.00 O ATOM 1588 CB LEU A 106 9.274 8.279 -2.420 1.00 0.00 C ATOM 1589 CG LEU A 106 10.350 9.316 -2.764 1.00 0.00 C ATOM 1590 CD1 LEU A 106 11.719 8.856 -2.303 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.359 9.591 -4.259 1.00 0.00 C ATOM 0 H LEU A 106 7.234 7.161 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 106 9.948 7.569 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.537 7.344 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.332 8.615 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 106 10.110 10.240 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.462 9.611 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.709 8.710 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.972 7.916 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.128 10.329 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.570 8.667 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.385 9.974 -4.564 1.00 0.00 H new ATOM 1748 N PHE A 117 15.400 1.177 -3.624 1.00 0.00 N ATOM 1749 CA PHE A 117 15.102 -0.187 -3.396 1.00 0.00 C ATOM 1750 C PHE A 117 14.730 -0.789 -4.705 1.00 0.00 C ATOM 1751 O PHE A 117 13.823 -0.300 -5.386 1.00 0.00 O ATOM 1752 CB PHE A 117 13.968 -0.316 -2.363 1.00 0.00 C ATOM 1753 CG PHE A 117 14.341 0.273 -1.029 1.00 0.00 C ATOM 1754 CD1 PHE A 117 14.972 -0.492 -0.092 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.082 1.602 -0.732 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.349 0.042 1.118 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.455 2.143 0.480 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.092 1.363 1.403 1.00 0.00 C ATOM 0 HA PHE A 117 15.963 -0.715 -2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.076 0.183 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.714 -1.368 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 117 15.178 -1.531 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.581 2.222 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 117 15.849 -0.578 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.244 3.179 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.392 1.782 2.352 1.00 0.00 H new ATOM 1768 N GLN A 118 15.484 -1.761 -5.113 1.00 0.00 N ATOM 1769 CA GLN A 118 15.247 -2.419 -6.352 1.00 0.00 C ATOM 1770 C GLN A 118 14.073 -3.356 -6.211 1.00 0.00 C ATOM 1771 O GLN A 118 13.659 -3.687 -5.102 1.00 0.00 O ATOM 1772 CB GLN A 118 16.460 -3.207 -6.770 1.00 0.00 C ATOM 1773 CG GLN A 118 16.678 -3.202 -8.251 1.00 0.00 C ATOM 1774 CD GLN A 118 17.870 -4.026 -8.697 1.00 0.00 C ATOM 1775 OE1 GLN A 118 18.525 -3.689 -9.683 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.148 -5.110 -8.010 1.00 0.00 N ATOM 0 H GLN A 118 16.284 -2.119 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 118 15.033 -1.666 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.341 -2.796 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.354 -4.236 -6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 118 15.782 -3.581 -8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.814 -2.173 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.583 -5.358 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 118 18.929 -5.704 -8.288 1.00 0.00 H new ATOM 1785 N HIS A 119 13.545 -3.764 -7.340 1.00 0.00 N ATOM 1786 CA HIS A 119 12.414 -4.668 -7.416 1.00 0.00 C ATOM 1787 C HIS A 119 11.124 -4.052 -6.899 1.00 0.00 C ATOM 1788 O HIS A 119 10.179 -4.758 -6.564 1.00 0.00 O ATOM 1789 CB HIS A 119 12.703 -6.064 -6.809 1.00 0.00 C ATOM 1790 CG HIS A 119 13.540 -6.935 -7.710 1.00 0.00 C ATOM 1791 ND1 HIS A 119 14.461 -7.874 -7.278 1.00 0.00 N ATOM 1792 CD2 HIS A 119 13.537 -7.022 -9.065 1.00 0.00 C ATOM 1793 CE1 HIS A 119 14.967 -8.480 -8.353 1.00 0.00 C ATOM 1794 NE2 HIS A 119 14.437 -7.996 -9.469 1.00 0.00 N ATOM 0 H HIS A 119 13.894 -3.473 -8.253 1.00 0.00 H new ATOM 0 HA HIS A 119 12.254 -4.841 -8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.215 -5.940 -5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 119 11.758 -6.567 -6.602 1.00 0.00 H new ATOM 0 HD1 HIS A 119 14.709 -8.068 -6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 119 12.927 -6.424 -9.726 1.00 0.00 H new ATOM 0 HE1 HIS A 119 15.711 -9.262 -8.320 1.00 0.00 H new ATOM 1802 N VAL A 120 11.069 -2.735 -6.879 1.00 0.00 N ATOM 1803 CA VAL A 120 9.833 -2.051 -6.587 1.00 0.00 C ATOM 1804 C VAL A 120 9.125 -1.811 -7.899 1.00 0.00 C ATOM 1805 O VAL A 120 9.771 -1.690 -8.962 1.00 0.00 O ATOM 1806 CB VAL A 120 10.002 -0.704 -5.811 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.716 -0.920 -4.494 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.696 0.366 -6.644 1.00 0.00 C ATOM 0 H VAL A 120 11.864 -2.123 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 120 9.255 -2.687 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 120 8.999 -0.334 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.820 0.033 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.139 -1.608 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.704 -1.341 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.788 1.281 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.688 0.017 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.109 0.567 -7.540 1.00 0.00 H new ATOM 1818 N ASP A 121 7.843 -1.782 -7.859 1.00 0.00 N ATOM 1819 CA ASP A 121 7.067 -1.624 -9.064 1.00 0.00 C ATOM 1820 C ASP A 121 6.911 -0.156 -9.406 1.00 0.00 C ATOM 1821 O ASP A 121 7.134 0.254 -10.547 1.00 0.00 O ATOM 1822 CB ASP A 121 5.709 -2.297 -8.919 1.00 0.00 C ATOM 1823 CG ASP A 121 4.923 -2.293 -10.197 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.172 -3.170 -11.050 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.035 -1.444 -10.362 1.00 0.00 O ATOM 0 H ASP A 121 7.292 -1.865 -7.004 1.00 0.00 H new ATOM 0 HA ASP A 121 7.598 -2.109 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.851 -3.326 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.137 -1.788 -8.143 1.00 0.00 H new ATOM 1830 N LYS A 122 6.589 0.636 -8.407 1.00 0.00 N ATOM 1831 CA LYS A 122 6.392 2.072 -8.574 1.00 0.00 C ATOM 1832 C LYS A 122 6.850 2.809 -7.328 1.00 0.00 C ATOM 1833 O LYS A 122 7.038 2.205 -6.266 1.00 0.00 O ATOM 1834 CB LYS A 122 4.902 2.440 -8.837 1.00 0.00 C ATOM 1835 CG LYS A 122 4.307 1.974 -10.159 1.00 0.00 C ATOM 1836 CD LYS A 122 2.851 2.408 -10.269 1.00 0.00 C ATOM 1837 CE LYS A 122 2.222 1.985 -11.585 1.00 0.00 C ATOM 1838 NZ LYS A 122 2.866 2.621 -12.756 1.00 0.00 N ATOM 0 H LYS A 122 6.454 0.308 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 122 6.981 2.369 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.301 2.025 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.804 3.524 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.880 2.388 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.376 0.889 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.283 1.980 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.789 3.492 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.288 0.901 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.162 2.240 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.308 2.421 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.917 3.649 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.827 2.240 -12.873 1.00 0.00 H new ATOM 1852 N TYR A 123 7.072 4.081 -7.470 1.00 0.00 N ATOM 1853 CA TYR A 123 7.332 4.956 -6.352 1.00 0.00 C ATOM 1854 C TYR A 123 6.131 5.822 -6.109 1.00 0.00 C ATOM 1855 O TYR A 123 5.426 6.205 -7.063 1.00 0.00 O ATOM 1856 CB TYR A 123 8.549 5.847 -6.583 1.00 0.00 C ATOM 1857 CG TYR A 123 9.872 5.164 -6.398 1.00 0.00 C ATOM 1858 CD1 TYR A 123 10.431 5.059 -5.135 1.00 0.00 C ATOM 1859 CD2 TYR A 123 10.578 4.654 -7.473 1.00 0.00 C ATOM 1860 CE1 TYR A 123 11.653 4.468 -4.944 1.00 0.00 C ATOM 1861 CE2 TYR A 123 11.800 4.051 -7.291 1.00 0.00 C ATOM 1862 CZ TYR A 123 12.338 3.960 -6.028 1.00 0.00 C ATOM 1863 OH TYR A 123 13.586 3.388 -5.862 1.00 0.00 O ATOM 0 H TYR A 123 7.079 4.552 -8.374 1.00 0.00 H new ATOM 0 HA TYR A 123 7.539 4.327 -5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 123 8.501 6.248 -7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 123 8.495 6.696 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.893 5.450 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 123 10.164 4.731 -8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 123 12.076 4.401 -3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 123 12.337 3.649 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 123 13.923 3.081 -6.730 1.00 0.00 H new ATOM 1873 N VAL A 124 5.883 6.118 -4.865 1.00 0.00 N ATOM 1874 CA VAL A 124 4.775 6.984 -4.462 1.00 0.00 C ATOM 1875 C VAL A 124 5.224 7.869 -3.349 1.00 0.00 C ATOM 1876 O VAL A 124 6.211 7.571 -2.706 1.00 0.00 O ATOM 1877 CB VAL A 124 3.490 6.217 -4.029 1.00 0.00 C ATOM 1878 CG1 VAL A 124 2.815 5.565 -5.220 1.00 0.00 C ATOM 1879 CG2 VAL A 124 3.806 5.182 -2.956 1.00 0.00 C ATOM 0 H VAL A 124 6.440 5.770 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 124 4.500 7.562 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 124 2.798 6.944 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.921 5.037 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.536 6.330 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.502 4.858 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.891 4.661 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.527 4.463 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.226 5.680 -2.082 1.00 0.00 H new ATOM 1889 N LEU A 125 4.513 8.934 -3.119 1.00 0.00 N ATOM 1890 CA LEU A 125 4.889 9.884 -2.095 1.00 0.00 C ATOM 1891 C LEU A 125 4.455 9.415 -0.715 1.00 0.00 C ATOM 1892 O LEU A 125 3.794 8.379 -0.568 1.00 0.00 O ATOM 1893 CB LEU A 125 4.302 11.265 -2.399 1.00 0.00 C ATOM 1894 CG LEU A 125 4.767 11.922 -3.701 1.00 0.00 C ATOM 1895 CD1 LEU A 125 4.065 13.252 -3.897 1.00 0.00 C ATOM 1896 CD2 LEU A 125 6.282 12.114 -3.705 1.00 0.00 C ATOM 0 H LEU A 125 3.662 9.174 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 125 5.976 9.958 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.216 11.178 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.546 11.931 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 125 4.507 11.262 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.404 13.709 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.988 13.091 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.297 13.913 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.587 12.582 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.570 12.752 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.772 11.145 -3.608 1.00 0.00 H new