USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 142:sc= 0.0367 USER MOD Set 1.2: A 68 GLN : amide:sc= -3.08 X(o=-3,f=-3.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 17 ASN : amide:sc= 0.423 K(o=0.42,f=-0.44) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= -0.365 (180deg=-2.19) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 107:sc= 0.00271 USER MOD Single : A 28 ASN : amide:sc= -15.4! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= 0.207 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -76:sc= 0.141 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -2.78 (180deg=-5.36!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 163:sc= -0.0684 (180deg=-0.587) USER MOD Single : A 75 SER OG : rot 180:sc= -0.618 USER MOD Single : A 77 GLN : amide:sc= -4.9! C(o=-4.9!,f=-3.9!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 11:sc= 0.366 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00974 USER MOD Single : A 98 ASN : amide:sc= -1.01 K(o=-1,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.303 -5.167 -2.080 1.00 0.00 N ATOM 91 CA VAL A 7 -14.391 -3.914 -1.348 1.00 0.00 C ATOM 92 C VAL A 7 -13.477 -2.835 -1.935 1.00 0.00 C ATOM 93 O VAL A 7 -13.961 -1.802 -2.394 1.00 0.00 O ATOM 94 CB VAL A 7 -14.089 -4.090 0.167 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.145 -3.383 0.999 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.007 -5.561 0.553 1.00 0.00 C ATOM 0 HA VAL A 7 -15.425 -3.586 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.117 -3.640 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.922 -3.514 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.147 -2.320 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.125 -3.807 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.795 -5.646 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.956 -6.049 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.211 -6.042 -0.015 1.00 0.00 H new ATOM 106 N PRO A 8 -12.141 -3.021 -1.889 1.00 0.00 N ATOM 107 CA PRO A 8 -11.186 -2.036 -2.368 1.00 0.00 C ATOM 108 C PRO A 8 -10.453 -2.440 -3.666 1.00 0.00 C ATOM 109 O PRO A 8 -11.081 -2.703 -4.691 1.00 0.00 O ATOM 110 CB PRO A 8 -10.244 -2.045 -1.174 1.00 0.00 C ATOM 111 CG PRO A 8 -10.109 -3.507 -0.867 1.00 0.00 C ATOM 112 CD PRO A 8 -11.409 -4.159 -1.313 1.00 0.00 C ATOM 0 HA PRO A 8 -11.628 -1.079 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.282 -1.592 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.655 -1.491 -0.330 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.257 -3.938 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.939 -3.667 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.239 -4.948 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.947 -4.610 -0.479 1.00 0.00 H new ATOM 120 N LEU A 9 -9.116 -2.460 -3.602 1.00 0.00 N ATOM 121 CA LEU A 9 -8.253 -2.793 -4.735 1.00 0.00 C ATOM 122 C LEU A 9 -8.525 -4.192 -5.288 1.00 0.00 C ATOM 123 O LEU A 9 -8.498 -5.181 -4.555 1.00 0.00 O ATOM 124 CB LEU A 9 -6.790 -2.708 -4.261 1.00 0.00 C ATOM 125 CG LEU A 9 -5.673 -2.834 -5.324 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.194 -3.360 -6.643 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.975 -1.502 -5.542 1.00 0.00 C ATOM 0 H LEU A 9 -8.600 -2.242 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.456 -2.087 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.659 -1.754 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.634 -3.490 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.955 -3.556 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.373 -3.431 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.631 -4.347 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.954 -2.682 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.195 -1.619 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.700 -0.763 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.529 -1.167 -4.605 1.00 0.00 H new ATOM 139 N THR A 10 -8.728 -4.263 -6.603 1.00 0.00 N ATOM 140 CA THR A 10 -8.937 -5.533 -7.281 1.00 0.00 C ATOM 141 C THR A 10 -7.627 -5.982 -7.928 1.00 0.00 C ATOM 142 O THR A 10 -7.059 -5.273 -8.758 1.00 0.00 O ATOM 143 CB THR A 10 -10.025 -5.413 -8.346 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.293 -5.200 -7.752 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.125 -6.643 -9.224 1.00 0.00 C ATOM 0 H THR A 10 -8.751 -3.450 -7.218 1.00 0.00 H new ATOM 0 HA THR A 10 -9.260 -6.271 -6.547 1.00 0.00 H new ATOM 0 HB THR A 10 -9.739 -4.562 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.974 -5.124 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.915 -6.500 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.176 -6.803 -9.735 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.357 -7.512 -8.608 1.00 0.00 H new ATOM 153 N PHE A 11 -7.151 -7.152 -7.533 1.00 0.00 N ATOM 154 CA PHE A 11 -5.901 -7.693 -8.059 1.00 0.00 C ATOM 155 C PHE A 11 -6.150 -8.521 -9.322 1.00 0.00 C ATOM 156 O PHE A 11 -7.288 -8.647 -9.777 1.00 0.00 O ATOM 157 CB PHE A 11 -5.220 -8.543 -6.989 1.00 0.00 C ATOM 158 CG PHE A 11 -5.902 -9.845 -6.768 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.024 -9.934 -5.965 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.426 -10.973 -7.387 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.658 -11.145 -5.786 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.051 -12.183 -7.222 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.171 -12.271 -6.420 1.00 0.00 C ATOM 0 H PHE A 11 -7.611 -7.750 -6.847 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.247 -6.863 -8.328 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.185 -8.725 -7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.195 -7.987 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.406 -9.050 -5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.548 -10.908 -8.012 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.531 -11.213 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.668 -13.063 -7.718 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.667 -13.221 -6.288 1.00 0.00 H new ATOM 173 N THR A 12 -5.080 -9.077 -9.884 1.00 0.00 N ATOM 174 CA THR A 12 -5.187 -9.888 -11.103 1.00 0.00 C ATOM 175 C THR A 12 -5.568 -11.333 -10.778 1.00 0.00 C ATOM 176 O THR A 12 -6.076 -11.622 -9.705 1.00 0.00 O ATOM 177 CB THR A 12 -3.867 -9.855 -11.879 1.00 0.00 C ATOM 178 OG1 THR A 12 -4.068 -10.249 -13.228 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.801 -10.753 -11.286 1.00 0.00 C ATOM 0 H THR A 12 -4.132 -8.984 -9.520 1.00 0.00 H new ATOM 0 HA THR A 12 -5.977 -9.461 -11.721 1.00 0.00 H new ATOM 0 HB THR A 12 -3.520 -8.823 -11.819 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.214 -10.220 -13.708 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.892 -10.682 -11.884 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.589 -10.440 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.154 -11.784 -11.283 1.00 0.00 H new ATOM 187 N ASP A 13 -5.318 -12.240 -11.716 1.00 0.00 N ATOM 188 CA ASP A 13 -5.623 -13.645 -11.513 1.00 0.00 C ATOM 189 C ASP A 13 -4.427 -14.392 -10.939 1.00 0.00 C ATOM 190 O ASP A 13 -4.563 -15.219 -10.041 1.00 0.00 O ATOM 191 CB ASP A 13 -6.035 -14.285 -12.837 1.00 0.00 C ATOM 192 CG ASP A 13 -7.264 -13.635 -13.440 1.00 0.00 C ATOM 193 OD1 ASP A 13 -8.153 -13.219 -12.670 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.340 -13.547 -14.686 1.00 0.00 O ATOM 0 H ASP A 13 -4.905 -12.024 -12.623 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.445 -13.711 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.208 -14.215 -13.543 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.230 -15.346 -12.679 1.00 0.00 H new ATOM 199 N ALA A 14 -3.254 -14.089 -11.474 1.00 0.00 N ATOM 200 CA ALA A 14 -2.020 -14.727 -11.040 1.00 0.00 C ATOM 201 C ALA A 14 -1.754 -14.479 -9.559 1.00 0.00 C ATOM 202 O ALA A 14 -1.343 -15.392 -8.843 1.00 0.00 O ATOM 203 CB ALA A 14 -0.849 -14.239 -11.878 1.00 0.00 C ATOM 0 H ALA A 14 -3.130 -13.400 -12.215 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.133 -15.802 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.067 -14.725 -11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.025 -14.482 -12.926 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.748 -13.159 -11.768 1.00 0.00 H new ATOM 209 N ALA A 15 -2.007 -13.267 -9.096 1.00 0.00 N ATOM 210 CA ALA A 15 -1.805 -12.957 -7.689 1.00 0.00 C ATOM 211 C ALA A 15 -2.538 -13.990 -6.851 1.00 0.00 C ATOM 212 O ALA A 15 -2.072 -14.403 -5.788 1.00 0.00 O ATOM 213 CB ALA A 15 -2.265 -11.542 -7.374 1.00 0.00 C ATOM 0 H ALA A 15 -2.348 -12.491 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.742 -13.000 -7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.104 -11.334 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.696 -10.832 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.326 -11.444 -7.605 1.00 0.00 H new ATOM 219 N ALA A 16 -3.667 -14.446 -7.382 1.00 0.00 N ATOM 220 CA ALA A 16 -4.452 -15.482 -6.734 1.00 0.00 C ATOM 221 C ALA A 16 -3.712 -16.795 -6.834 1.00 0.00 C ATOM 222 O ALA A 16 -3.637 -17.570 -5.881 1.00 0.00 O ATOM 223 CB ALA A 16 -5.802 -15.611 -7.410 1.00 0.00 C ATOM 0 H ALA A 16 -4.057 -14.111 -8.263 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.604 -15.219 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.383 -16.390 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.335 -14.663 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.660 -15.873 -8.459 1.00 0.00 H new ATOM 229 N ASN A 17 -3.179 -17.039 -8.026 1.00 0.00 N ATOM 230 CA ASN A 17 -2.445 -18.257 -8.320 1.00 0.00 C ATOM 231 C ASN A 17 -1.251 -18.423 -7.382 1.00 0.00 C ATOM 232 O ASN A 17 -1.000 -19.519 -6.883 1.00 0.00 O ATOM 233 CB ASN A 17 -1.964 -18.232 -9.767 1.00 0.00 C ATOM 234 CG ASN A 17 -3.072 -18.535 -10.761 1.00 0.00 C ATOM 235 OD1 ASN A 17 -3.112 -19.605 -11.364 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.978 -17.579 -10.930 1.00 0.00 N ATOM 0 H ASN A 17 -3.246 -16.395 -8.814 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.116 -19.103 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.542 -17.252 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.162 -18.960 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.749 -17.717 -11.583 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.903 -16.707 -10.406 1.00 0.00 H new ATOM 243 N LYS A 18 -0.519 -17.342 -7.144 1.00 0.00 N ATOM 244 CA LYS A 18 0.640 -17.391 -6.266 1.00 0.00 C ATOM 245 C LYS A 18 0.221 -17.859 -4.875 1.00 0.00 C ATOM 246 O LYS A 18 0.992 -18.498 -4.164 1.00 0.00 O ATOM 247 CB LYS A 18 1.314 -16.016 -6.214 1.00 0.00 C ATOM 248 CG LYS A 18 2.110 -15.752 -4.944 1.00 0.00 C ATOM 249 CD LYS A 18 1.194 -15.419 -3.779 1.00 0.00 C ATOM 250 CE LYS A 18 1.506 -14.062 -3.178 1.00 0.00 C ATOM 251 NZ LYS A 18 0.423 -13.081 -3.453 1.00 0.00 N ATOM 0 H LYS A 18 -0.708 -16.424 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 18 1.363 -18.106 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.979 -15.919 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.549 -15.246 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.710 -16.629 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.804 -14.928 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.158 -15.436 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.291 -16.186 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.642 -14.163 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.447 -13.690 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.275 -12.484 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.693 -12.484 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.457 -13.589 -3.676 1.00 0.00 H new ATOM 265 N VAL A 19 -1.009 -17.527 -4.498 1.00 0.00 N ATOM 266 CA VAL A 19 -1.541 -17.902 -3.199 1.00 0.00 C ATOM 267 C VAL A 19 -2.023 -19.343 -3.197 1.00 0.00 C ATOM 268 O VAL A 19 -1.436 -20.202 -2.548 1.00 0.00 O ATOM 269 CB VAL A 19 -2.707 -16.976 -2.797 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.285 -17.379 -1.447 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.252 -15.525 -2.780 1.00 0.00 C ATOM 0 H VAL A 19 -1.657 -16.996 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.732 -17.799 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.496 -17.080 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.105 -16.710 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.655 -18.403 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.509 -17.313 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.087 -14.885 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.441 -15.406 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.901 -15.242 -3.772 1.00 0.00 H new ATOM 281 N LYS A 20 -3.099 -19.593 -3.930 1.00 0.00 N ATOM 282 CA LYS A 20 -3.690 -20.930 -4.029 1.00 0.00 C ATOM 283 C LYS A 20 -2.676 -21.986 -4.435 1.00 0.00 C ATOM 284 O LYS A 20 -2.920 -23.178 -4.263 1.00 0.00 O ATOM 285 CB LYS A 20 -4.823 -20.927 -5.045 1.00 0.00 C ATOM 286 CG LYS A 20 -4.470 -20.247 -6.359 1.00 0.00 C ATOM 287 CD LYS A 20 -4.318 -21.250 -7.496 1.00 0.00 C ATOM 288 CE LYS A 20 -5.536 -22.152 -7.619 1.00 0.00 C ATOM 289 NZ LYS A 20 -5.632 -22.775 -8.968 1.00 0.00 N ATOM 0 H LYS A 20 -3.589 -18.881 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.063 -21.181 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.119 -21.956 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.688 -20.427 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.246 -19.525 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.541 -19.689 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.165 -20.716 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.430 -21.859 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.487 -22.934 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.438 -21.573 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.475 -23.382 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.705 -22.030 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.783 -23.349 -9.147 1.00 0.00 H new ATOM 303 N SER A 21 -1.567 -21.558 -5.018 1.00 0.00 N ATOM 304 CA SER A 21 -0.567 -22.505 -5.497 1.00 0.00 C ATOM 305 C SER A 21 0.433 -22.900 -4.420 1.00 0.00 C ATOM 306 O SER A 21 0.754 -24.080 -4.270 1.00 0.00 O ATOM 307 CB SER A 21 0.175 -21.929 -6.704 1.00 0.00 C ATOM 308 OG SER A 21 1.075 -22.878 -7.249 1.00 0.00 O ATOM 0 H SER A 21 -1.337 -20.576 -5.170 1.00 0.00 H new ATOM 0 HA SER A 21 -1.104 -23.408 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.543 -21.625 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.721 -21.034 -6.406 1.00 0.00 H new ATOM 0 HG SER A 21 1.536 -22.486 -8.020 1.00 0.00 H new ATOM 314 N LEU A 22 0.936 -21.921 -3.675 1.00 0.00 N ATOM 315 CA LEU A 22 1.908 -22.215 -2.635 1.00 0.00 C ATOM 316 C LEU A 22 1.207 -22.647 -1.363 1.00 0.00 C ATOM 317 O LEU A 22 1.781 -23.381 -0.553 1.00 0.00 O ATOM 318 CB LEU A 22 2.848 -21.007 -2.401 1.00 0.00 C ATOM 319 CG LEU A 22 2.574 -20.118 -1.186 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.222 -19.446 -1.307 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.676 -20.896 0.113 1.00 0.00 C ATOM 0 H LEU A 22 0.691 -20.936 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 22 2.533 -23.046 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.867 -21.386 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.814 -20.379 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 22 3.342 -19.345 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.048 -18.819 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.201 -18.829 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.443 -20.205 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.475 -20.230 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.947 -21.706 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.679 -21.311 0.211 1.00 0.00 H new ATOM 333 N ILE A 23 -0.034 -22.227 -1.184 1.00 0.00 N ATOM 334 CA ILE A 23 -0.794 -22.593 -0.017 1.00 0.00 C ATOM 335 C ILE A 23 -1.198 -24.058 -0.112 1.00 0.00 C ATOM 336 O ILE A 23 -0.990 -24.837 0.818 1.00 0.00 O ATOM 337 CB ILE A 23 -2.030 -21.723 0.153 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.904 -21.796 -1.085 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.621 -20.290 0.408 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.026 -22.810 -0.984 1.00 0.00 C ATOM 0 H ILE A 23 -0.533 -21.628 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.162 -22.437 0.857 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.600 -22.091 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.333 -20.812 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.280 -22.043 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.512 -19.673 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.019 -20.239 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.037 -19.923 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.606 -22.804 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.606 -23.803 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.674 -22.553 -0.146 1.00 0.00 H new ATOM 352 N SER A 24 -1.737 -24.421 -1.259 1.00 0.00 N ATOM 353 CA SER A 24 -2.132 -25.795 -1.513 1.00 0.00 C ATOM 354 C SER A 24 -0.911 -26.693 -1.395 1.00 0.00 C ATOM 355 O SER A 24 -1.018 -27.888 -1.123 1.00 0.00 O ATOM 356 CB SER A 24 -2.742 -25.930 -2.901 1.00 0.00 C ATOM 357 OG SER A 24 -4.138 -25.688 -2.874 1.00 0.00 O ATOM 0 H SER A 24 -1.913 -23.781 -2.034 1.00 0.00 H new ATOM 0 HA SER A 24 -2.882 -26.092 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.262 -25.227 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.551 -26.931 -3.289 1.00 0.00 H new ATOM 0 HG SER A 24 -4.326 -24.813 -3.273 1.00 0.00 H new ATOM 363 N GLU A 25 0.260 -26.087 -1.584 1.00 0.00 N ATOM 364 CA GLU A 25 1.516 -26.792 -1.496 1.00 0.00 C ATOM 365 C GLU A 25 1.948 -26.924 -0.042 1.00 0.00 C ATOM 366 O GLU A 25 2.753 -27.785 0.299 1.00 0.00 O ATOM 367 CB GLU A 25 2.595 -26.077 -2.310 1.00 0.00 C ATOM 368 CG GLU A 25 3.238 -26.950 -3.374 1.00 0.00 C ATOM 369 CD GLU A 25 4.073 -28.078 -2.777 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.030 -27.769 -2.033 1.00 0.00 O ATOM 371 OE2 GLU A 25 3.765 -29.253 -3.061 1.00 0.00 O ATOM 0 H GLU A 25 0.354 -25.095 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 25 1.379 -27.790 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.156 -25.201 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.369 -25.716 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.461 -27.375 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.870 -26.333 -4.013 1.00 0.00 H new ATOM 378 N GLU A 26 1.394 -26.065 0.819 1.00 0.00 N ATOM 379 CA GLU A 26 1.721 -26.110 2.235 1.00 0.00 C ATOM 380 C GLU A 26 0.927 -27.201 2.916 1.00 0.00 C ATOM 381 O GLU A 26 1.258 -27.630 4.017 1.00 0.00 O ATOM 382 CB GLU A 26 1.441 -24.762 2.892 1.00 0.00 C ATOM 383 CG GLU A 26 2.279 -23.631 2.324 1.00 0.00 C ATOM 384 CD GLU A 26 3.460 -23.287 3.208 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.533 -23.908 3.039 1.00 0.00 O ATOM 386 OE2 GLU A 26 3.315 -22.400 4.077 1.00 0.00 O ATOM 0 H GLU A 26 0.725 -25.340 0.558 1.00 0.00 H new ATOM 0 HA GLU A 26 2.783 -26.329 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.385 -24.519 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.629 -24.842 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.639 -23.911 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.654 -22.747 2.198 1.00 0.00 H new ATOM 393 N GLU A 27 -0.142 -27.634 2.259 1.00 0.00 N ATOM 394 CA GLU A 27 -1.018 -28.662 2.787 1.00 0.00 C ATOM 395 C GLU A 27 -1.983 -28.046 3.785 1.00 0.00 C ATOM 396 O GLU A 27 -2.682 -28.759 4.509 1.00 0.00 O ATOM 397 CB GLU A 27 -0.211 -29.786 3.459 1.00 0.00 C ATOM 398 CG GLU A 27 -0.883 -31.150 3.365 1.00 0.00 C ATOM 399 CD GLU A 27 -0.382 -32.108 4.427 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.713 -31.916 5.615 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.342 -33.067 4.068 1.00 0.00 O ATOM 0 H GLU A 27 -0.423 -27.279 1.345 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.578 -29.097 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.775 -29.842 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.058 -29.536 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.962 -31.030 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.701 -31.576 2.378 1.00 0.00 H new ATOM 408 N ASN A 28 -2.028 -26.714 3.818 1.00 0.00 N ATOM 409 CA ASN A 28 -2.930 -26.023 4.723 1.00 0.00 C ATOM 410 C ASN A 28 -4.346 -26.494 4.483 1.00 0.00 C ATOM 411 O ASN A 28 -4.928 -27.188 5.316 1.00 0.00 O ATOM 412 CB ASN A 28 -2.890 -24.495 4.545 1.00 0.00 C ATOM 413 CG ASN A 28 -1.570 -23.978 4.034 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.559 -24.007 4.730 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.585 -23.504 2.789 1.00 0.00 N ATOM 0 H ASN A 28 -1.456 -26.103 3.234 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.603 -26.255 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.678 -24.198 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.110 -24.021 5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.728 -23.142 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.453 -23.503 2.254 1.00 0.00 H new ATOM 422 N THR A 29 -4.895 -26.098 3.336 1.00 0.00 N ATOM 423 CA THR A 29 -6.265 -26.473 2.974 1.00 0.00 C ATOM 424 C THR A 29 -6.854 -25.549 1.911 1.00 0.00 C ATOM 425 O THR A 29 -7.486 -26.011 0.958 1.00 0.00 O ATOM 426 CB THR A 29 -7.164 -26.409 4.214 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.534 -26.346 3.844 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.870 -25.203 5.083 1.00 0.00 C ATOM 0 H THR A 29 -4.417 -25.521 2.644 1.00 0.00 H new ATOM 0 HA THR A 29 -6.223 -27.485 2.571 1.00 0.00 H new ATOM 0 HB THR A 29 -6.955 -27.318 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.089 -26.307 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.535 -25.206 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.835 -25.242 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.029 -24.292 4.507 1.00 0.00 H new ATOM 436 N ASP A 30 -6.671 -24.244 2.099 1.00 0.00 N ATOM 437 CA ASP A 30 -7.209 -23.243 1.185 1.00 0.00 C ATOM 438 C ASP A 30 -7.006 -21.880 1.796 1.00 0.00 C ATOM 439 O ASP A 30 -7.946 -21.215 2.231 1.00 0.00 O ATOM 440 CB ASP A 30 -8.697 -23.492 0.916 1.00 0.00 C ATOM 441 CG ASP A 30 -8.960 -23.946 -0.507 1.00 0.00 C ATOM 442 OD1 ASP A 30 -9.004 -23.079 -1.406 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.121 -25.165 -0.721 1.00 0.00 O ATOM 0 H ASP A 30 -6.149 -23.854 2.884 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.688 -23.305 0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.067 -24.247 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.257 -22.577 1.112 1.00 0.00 H new ATOM 448 N LEU A 31 -5.748 -21.495 1.871 1.00 0.00 N ATOM 449 CA LEU A 31 -5.341 -20.254 2.466 1.00 0.00 C ATOM 450 C LEU A 31 -5.963 -19.041 1.801 1.00 0.00 C ATOM 451 O LEU A 31 -6.300 -19.053 0.619 1.00 0.00 O ATOM 452 CB LEU A 31 -3.828 -20.159 2.399 1.00 0.00 C ATOM 453 CG LEU A 31 -3.131 -20.124 3.739 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.732 -19.047 4.610 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.230 -21.481 4.425 1.00 0.00 C ATOM 0 H LEU A 31 -4.972 -22.051 1.512 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.690 -20.251 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.450 -21.010 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.560 -19.261 1.843 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.077 -19.896 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.222 -19.031 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.617 -18.079 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.791 -19.253 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.723 -21.439 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.279 -21.736 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.759 -22.240 3.800 1.00 0.00 H new ATOM 467 N LYS A 32 -6.085 -17.988 2.594 1.00 0.00 N ATOM 468 CA LYS A 32 -6.639 -16.727 2.141 1.00 0.00 C ATOM 469 C LYS A 32 -5.558 -15.656 2.182 1.00 0.00 C ATOM 470 O LYS A 32 -4.989 -15.383 3.239 1.00 0.00 O ATOM 471 CB LYS A 32 -7.813 -16.318 3.034 1.00 0.00 C ATOM 472 CG LYS A 32 -8.891 -17.381 3.161 1.00 0.00 C ATOM 473 CD LYS A 32 -9.503 -17.390 4.554 1.00 0.00 C ATOM 474 CE LYS A 32 -9.981 -16.004 4.966 1.00 0.00 C ATOM 475 NZ LYS A 32 -9.895 -15.804 6.440 1.00 0.00 N ATOM 0 H LYS A 32 -5.801 -17.987 3.574 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.999 -16.839 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.434 -16.078 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.260 -15.407 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.671 -17.200 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.465 -18.360 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.341 -18.087 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.767 -17.750 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.380 -15.247 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.011 -15.863 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.836 -15.568 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.553 -16.677 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.236 -15.027 6.647 1.00 0.00 H new ATOM 489 N LEU A 33 -5.264 -15.057 1.035 1.00 0.00 N ATOM 490 CA LEU A 33 -4.242 -14.034 0.965 1.00 0.00 C ATOM 491 C LEU A 33 -4.582 -12.869 1.885 1.00 0.00 C ATOM 492 O LEU A 33 -5.749 -12.520 2.054 1.00 0.00 O ATOM 493 CB LEU A 33 -4.103 -13.546 -0.478 1.00 0.00 C ATOM 494 CG LEU A 33 -2.817 -12.785 -0.797 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.868 -11.378 -0.220 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.598 -13.537 -0.281 1.00 0.00 C ATOM 0 H LEU A 33 -5.720 -15.264 0.146 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.294 -14.461 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.168 -14.408 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.952 -12.902 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.730 -12.706 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.943 -10.853 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.712 -10.839 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.986 -11.433 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.695 -12.975 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.675 -13.657 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.550 -14.519 -0.752 1.00 0.00 H new ATOM 508 N ARG A 34 -3.554 -12.267 2.468 1.00 0.00 N ATOM 509 CA ARG A 34 -3.740 -11.133 3.359 1.00 0.00 C ATOM 510 C ARG A 34 -2.655 -10.094 3.119 1.00 0.00 C ATOM 511 O ARG A 34 -1.543 -10.201 3.634 1.00 0.00 O ATOM 512 CB ARG A 34 -3.742 -11.586 4.819 1.00 0.00 C ATOM 513 CG ARG A 34 -3.820 -10.441 5.818 1.00 0.00 C ATOM 514 CD ARG A 34 -2.466 -10.151 6.443 1.00 0.00 C ATOM 515 NE ARG A 34 -2.589 -9.433 7.709 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.601 -8.734 8.265 1.00 0.00 C ATOM 517 NH1 ARG A 34 -0.416 -8.657 7.671 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.799 -8.108 9.418 1.00 0.00 N ATOM 0 H ARG A 34 -2.582 -12.547 2.339 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.708 -10.680 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.587 -12.255 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.837 -12.163 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.190 -9.546 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.537 -10.688 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.935 -11.088 6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.865 -9.562 5.750 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.484 -9.469 8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.258 -9.135 6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.337 -8.120 8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.708 -8.162 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.043 -7.573 9.844 1.00 0.00 H new ATOM 532 N VAL A 35 -2.985 -9.102 2.310 1.00 0.00 N ATOM 533 CA VAL A 35 -2.043 -8.050 1.963 1.00 0.00 C ATOM 534 C VAL A 35 -1.790 -7.081 3.105 1.00 0.00 C ATOM 535 O VAL A 35 -2.629 -6.885 3.985 1.00 0.00 O ATOM 536 CB VAL A 35 -2.537 -7.233 0.764 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.427 -6.349 0.221 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.083 -8.142 -0.315 1.00 0.00 C ATOM 0 H VAL A 35 -3.904 -9.002 1.878 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.114 -8.567 1.722 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.347 -6.587 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.800 -5.778 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.094 -5.664 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.590 -6.970 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.428 -7.541 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.299 -8.820 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.916 -8.720 0.084 1.00 0.00 H new ATOM 548 N TYR A 36 -0.628 -6.451 3.040 1.00 0.00 N ATOM 549 CA TYR A 36 -0.221 -5.451 4.017 1.00 0.00 C ATOM 550 C TYR A 36 0.509 -4.325 3.303 1.00 0.00 C ATOM 551 O TYR A 36 0.657 -4.351 2.082 1.00 0.00 O ATOM 552 CB TYR A 36 0.667 -6.058 5.110 1.00 0.00 C ATOM 553 CG TYR A 36 1.450 -7.272 4.667 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.805 -8.467 4.376 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.832 -7.223 4.543 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.516 -9.579 3.972 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.551 -8.332 4.140 1.00 0.00 C ATOM 558 CZ TYR A 36 2.888 -9.507 3.856 1.00 0.00 C ATOM 559 OH TYR A 36 3.601 -10.614 3.455 1.00 0.00 O ATOM 0 H TYR A 36 0.062 -6.618 2.307 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.113 -5.060 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.365 -5.297 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.042 -6.333 5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.269 -8.527 4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.353 -6.304 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.000 -10.501 3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.626 -8.279 4.048 1.00 0.00 H new ATOM 0 HH TYR A 36 4.556 -10.395 3.424 1.00 0.00 H new ATOM 569 N ILE A 37 0.949 -3.330 4.055 1.00 0.00 N ATOM 570 CA ILE A 37 1.641 -2.198 3.463 1.00 0.00 C ATOM 571 C ILE A 37 3.143 -2.450 3.347 1.00 0.00 C ATOM 572 O ILE A 37 3.854 -2.545 4.348 1.00 0.00 O ATOM 573 CB ILE A 37 1.376 -0.906 4.262 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.042 -0.409 3.991 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.383 0.172 3.900 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.305 -0.128 2.530 1.00 0.00 C ATOM 0 H ILE A 37 0.841 -3.283 5.068 1.00 0.00 H new ATOM 0 HA ILE A 37 1.244 -2.072 2.456 1.00 0.00 H new ATOM 0 HB ILE A 37 1.483 -1.130 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.755 -1.154 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.218 0.500 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.175 1.073 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.390 -0.179 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.308 0.397 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.330 0.222 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.385 0.638 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.160 -1.041 1.952 1.00 0.00 H new ATOM 672 N GLN A 46 3.276 -1.867 -4.104 1.00 0.00 N ATOM 673 CA GLN A 46 3.579 -3.285 -3.940 1.00 0.00 C ATOM 674 C GLN A 46 2.615 -3.951 -2.973 1.00 0.00 C ATOM 675 O GLN A 46 1.752 -4.722 -3.380 1.00 0.00 O ATOM 676 CB GLN A 46 5.009 -3.474 -3.442 1.00 0.00 C ATOM 677 CG GLN A 46 6.060 -3.176 -4.493 1.00 0.00 C ATOM 678 CD GLN A 46 7.404 -2.860 -3.876 1.00 0.00 C ATOM 679 OE1 GLN A 46 8.323 -3.679 -3.896 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.519 -1.662 -3.323 1.00 0.00 N ATOM 0 HA GLN A 46 3.470 -3.755 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.174 -2.826 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.132 -4.501 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.159 -4.033 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.734 -2.334 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.728 -1.018 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.399 -1.383 -2.888 1.00 0.00 H new ATOM 689 N TYR A 47 2.773 -3.660 -1.688 1.00 0.00 N ATOM 690 CA TYR A 47 1.919 -4.249 -0.666 1.00 0.00 C ATOM 691 C TYR A 47 2.267 -5.718 -0.477 1.00 0.00 C ATOM 692 O TYR A 47 2.037 -6.545 -1.360 1.00 0.00 O ATOM 693 CB TYR A 47 0.446 -4.095 -1.043 1.00 0.00 C ATOM 694 CG TYR A 47 0.108 -2.723 -1.572 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.061 -1.625 -0.723 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.159 -2.527 -2.919 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.246 -0.368 -1.204 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.465 -1.271 -3.408 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.508 -0.195 -2.546 1.00 0.00 C ATOM 700 OH TYR A 47 -0.814 1.057 -3.028 1.00 0.00 O ATOM 0 H TYR A 47 3.483 -3.021 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 47 2.089 -3.724 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.190 -4.841 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.170 -4.302 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.268 -1.756 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.127 -3.368 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.281 0.476 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.669 -1.133 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.737 1.283 -2.788 1.00 0.00 H new ATOM 710 N GLY A 48 2.838 -6.030 0.677 1.00 0.00 N ATOM 711 CA GLY A 48 3.234 -7.395 0.973 1.00 0.00 C ATOM 712 C GLY A 48 2.056 -8.340 1.115 1.00 0.00 C ATOM 713 O GLY A 48 1.066 -8.016 1.766 1.00 0.00 O ATOM 0 H GLY A 48 3.036 -5.359 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.889 -7.757 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.814 -7.406 1.896 1.00 0.00 H new ATOM 717 N PHE A 49 2.164 -9.508 0.487 1.00 0.00 N ATOM 718 CA PHE A 49 1.104 -10.509 0.528 1.00 0.00 C ATOM 719 C PHE A 49 1.476 -11.705 1.402 1.00 0.00 C ATOM 720 O PHE A 49 2.594 -12.216 1.335 1.00 0.00 O ATOM 721 CB PHE A 49 0.806 -11.002 -0.884 1.00 0.00 C ATOM 722 CG PHE A 49 -0.134 -10.118 -1.639 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.011 -8.744 -1.570 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.147 -10.660 -2.404 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.879 -7.924 -2.254 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.026 -9.851 -3.090 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.894 -8.477 -3.016 1.00 0.00 C ATOM 0 H PHE A 49 2.980 -9.785 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 49 0.225 -10.032 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.742 -11.081 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.383 -12.005 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.776 -8.308 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.252 -11.733 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.769 -6.851 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.815 -10.289 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.580 -7.837 -3.551 1.00 0.00 H new ATOM 737 N THR A 50 0.513 -12.163 2.197 1.00 0.00 N ATOM 738 CA THR A 50 0.711 -13.324 3.061 1.00 0.00 C ATOM 739 C THR A 50 -0.481 -14.268 2.940 1.00 0.00 C ATOM 740 O THR A 50 -1.540 -13.880 2.453 1.00 0.00 O ATOM 741 CB THR A 50 0.893 -12.901 4.521 1.00 0.00 C ATOM 742 OG1 THR A 50 1.429 -13.965 5.286 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.398 -12.467 5.178 1.00 0.00 C ATOM 0 H THR A 50 -0.416 -11.746 2.261 1.00 0.00 H new ATOM 0 HA THR A 50 1.617 -13.838 2.740 1.00 0.00 H new ATOM 0 HB THR A 50 1.575 -12.051 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.540 -13.676 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.202 -12.180 6.211 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.813 -11.617 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.111 -13.292 5.160 1.00 0.00 H new ATOM 751 N PHE A 51 -0.312 -15.503 3.386 1.00 0.00 N ATOM 752 CA PHE A 51 -1.382 -16.484 3.319 1.00 0.00 C ATOM 753 C PHE A 51 -1.950 -16.722 4.711 1.00 0.00 C ATOM 754 O PHE A 51 -1.385 -17.456 5.520 1.00 0.00 O ATOM 755 CB PHE A 51 -0.850 -17.763 2.668 1.00 0.00 C ATOM 756 CG PHE A 51 0.078 -17.444 1.530 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.424 -16.985 0.324 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.449 -17.546 1.686 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.426 -16.634 -0.708 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.305 -17.207 0.656 1.00 0.00 C ATOM 761 CZ PHE A 51 1.794 -16.747 -0.541 1.00 0.00 C ATOM 0 H PHE A 51 0.555 -15.849 3.798 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.202 -16.118 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.326 -18.363 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.684 -18.364 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.492 -16.900 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.855 -17.895 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.023 -16.272 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.373 -17.302 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.461 -16.476 -1.346 1.00 0.00 H new ATOM 771 N ASP A 52 -3.062 -16.042 4.981 1.00 0.00 N ATOM 772 CA ASP A 52 -3.730 -16.107 6.281 1.00 0.00 C ATOM 773 C ASP A 52 -5.132 -16.711 6.164 1.00 0.00 C ATOM 774 O ASP A 52 -6.058 -16.068 5.673 1.00 0.00 O ATOM 775 CB ASP A 52 -3.797 -14.693 6.873 1.00 0.00 C ATOM 776 CG ASP A 52 -4.739 -14.582 8.055 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.963 -14.733 7.857 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.254 -14.339 9.177 1.00 0.00 O ATOM 0 H ASP A 52 -3.525 -15.432 4.308 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.157 -16.758 6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.797 -14.389 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.115 -13.996 6.097 1.00 0.00 H new ATOM 783 N GLU A 53 -5.269 -17.953 6.599 1.00 0.00 N ATOM 784 CA GLU A 53 -6.539 -18.676 6.540 1.00 0.00 C ATOM 785 C GLU A 53 -7.499 -18.293 7.668 1.00 0.00 C ATOM 786 O GLU A 53 -8.694 -18.532 7.565 1.00 0.00 O ATOM 787 CB GLU A 53 -6.282 -20.184 6.596 1.00 0.00 C ATOM 788 CG GLU A 53 -6.910 -20.945 5.442 1.00 0.00 C ATOM 789 CD GLU A 53 -8.001 -21.896 5.895 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.790 -22.613 6.896 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.061 -21.923 5.247 1.00 0.00 O ATOM 0 H GLU A 53 -4.505 -18.493 7.004 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.012 -18.398 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.207 -20.362 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.671 -20.577 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.326 -20.235 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.137 -21.508 4.919 1.00 0.00 H new ATOM 881 N LEU A 60 -10.125 -6.007 5.721 1.00 0.00 N ATOM 882 CA LEU A 60 -11.138 -6.121 4.676 1.00 0.00 C ATOM 883 C LEU A 60 -10.821 -7.323 3.802 1.00 0.00 C ATOM 884 O LEU A 60 -9.654 -7.676 3.638 1.00 0.00 O ATOM 885 CB LEU A 60 -11.202 -4.842 3.836 1.00 0.00 C ATOM 886 CG LEU A 60 -11.131 -3.534 4.632 1.00 0.00 C ATOM 887 CD1 LEU A 60 -11.725 -2.393 3.823 1.00 0.00 C ATOM 888 CD2 LEU A 60 -11.843 -3.668 5.964 1.00 0.00 C ATOM 0 HA LEU A 60 -12.115 -6.260 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.382 -4.857 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.129 -4.849 3.262 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.083 -3.313 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.668 -1.470 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.166 -2.276 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.767 -2.614 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.777 -2.726 6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.891 -3.916 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.374 -4.459 6.550 1.00 0.00 H new ATOM 900 N THR A 61 -11.849 -7.986 3.283 1.00 0.00 N ATOM 901 CA THR A 61 -11.623 -9.181 2.484 1.00 0.00 C ATOM 902 C THR A 61 -12.283 -9.141 1.110 1.00 0.00 C ATOM 903 O THR A 61 -13.472 -8.857 0.967 1.00 0.00 O ATOM 904 CB THR A 61 -12.091 -10.411 3.253 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.487 -10.606 3.087 1.00 0.00 O ATOM 906 CG2 THR A 61 -11.813 -10.326 4.738 1.00 0.00 C ATOM 0 H THR A 61 -12.827 -7.722 3.399 1.00 0.00 H new ATOM 0 HA THR A 61 -10.550 -9.230 2.301 1.00 0.00 H new ATOM 0 HB THR A 61 -11.524 -11.245 2.839 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.677 -11.565 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.170 -11.232 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.740 -10.224 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.328 -9.461 5.156 1.00 0.00 H new ATOM 914 N ILE A 62 -11.474 -9.478 0.113 1.00 0.00 N ATOM 915 CA ILE A 62 -11.889 -9.556 -1.276 1.00 0.00 C ATOM 916 C ILE A 62 -11.603 -10.970 -1.769 1.00 0.00 C ATOM 917 O ILE A 62 -10.516 -11.488 -1.547 1.00 0.00 O ATOM 918 CB ILE A 62 -11.125 -8.539 -2.154 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.728 -8.261 -1.583 1.00 0.00 C ATOM 920 CG2 ILE A 62 -11.926 -7.255 -2.284 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.714 -7.341 -0.375 1.00 0.00 C ATOM 0 H ILE A 62 -10.491 -9.709 0.254 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.951 -9.319 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.996 -8.968 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.267 -9.209 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.110 -7.822 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.378 -6.546 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.889 -7.472 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.086 -6.824 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.687 -7.199 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.143 -6.377 -0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.302 -7.786 0.428 1.00 0.00 H new ATOM 933 N GLU A 63 -12.572 -11.613 -2.402 1.00 0.00 N ATOM 934 CA GLU A 63 -12.376 -12.984 -2.865 1.00 0.00 C ATOM 935 C GLU A 63 -11.214 -13.086 -3.847 1.00 0.00 C ATOM 936 O GLU A 63 -10.891 -12.127 -4.550 1.00 0.00 O ATOM 937 CB GLU A 63 -13.650 -13.516 -3.507 1.00 0.00 C ATOM 938 CG GLU A 63 -13.684 -15.029 -3.632 1.00 0.00 C ATOM 939 CD GLU A 63 -15.080 -15.564 -3.872 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.748 -15.081 -4.811 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.503 -16.464 -3.123 1.00 0.00 O ATOM 0 H GLU A 63 -13.490 -11.218 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.133 -13.592 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.507 -13.189 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.758 -13.076 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.035 -15.336 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.280 -15.474 -2.723 1.00 0.00 H new ATOM 948 N LYS A 64 -10.589 -14.260 -3.883 1.00 0.00 N ATOM 949 CA LYS A 64 -9.461 -14.508 -4.765 1.00 0.00 C ATOM 950 C LYS A 64 -9.864 -15.463 -5.883 1.00 0.00 C ATOM 951 O LYS A 64 -10.844 -16.196 -5.760 1.00 0.00 O ATOM 952 CB LYS A 64 -8.299 -15.093 -3.959 1.00 0.00 C ATOM 953 CG LYS A 64 -6.924 -14.762 -4.511 1.00 0.00 C ATOM 954 CD LYS A 64 -6.298 -13.570 -3.805 1.00 0.00 C ATOM 955 CE LYS A 64 -4.876 -13.351 -4.279 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.261 -12.138 -3.677 1.00 0.00 N ATOM 0 H LYS A 64 -10.851 -15.058 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.145 -13.567 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.363 -14.728 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.410 -16.177 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.272 -15.629 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.003 -14.551 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.892 -12.676 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.306 -13.734 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.273 -14.224 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.867 -13.259 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.225 -12.234 -3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.535 -11.300 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.592 -12.031 -2.697 1.00 0.00 H new ATOM 970 N SER A 65 -9.105 -15.445 -6.969 1.00 0.00 N ATOM 971 CA SER A 65 -9.382 -16.308 -8.111 1.00 0.00 C ATOM 972 C SER A 65 -9.582 -17.752 -7.673 1.00 0.00 C ATOM 973 O SER A 65 -10.419 -18.471 -8.221 1.00 0.00 O ATOM 974 CB SER A 65 -8.232 -16.231 -9.107 1.00 0.00 C ATOM 975 OG SER A 65 -8.708 -16.228 -10.444 1.00 0.00 O ATOM 0 H SER A 65 -8.291 -14.842 -7.085 1.00 0.00 H new ATOM 0 HA SER A 65 -10.302 -15.962 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.649 -15.328 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.562 -17.078 -8.959 1.00 0.00 H new ATOM 0 HG SER A 65 -7.949 -16.176 -11.061 1.00 0.00 H new ATOM 981 N GLY A 66 -8.802 -18.175 -6.687 1.00 0.00 N ATOM 982 CA GLY A 66 -8.902 -19.537 -6.195 1.00 0.00 C ATOM 983 C GLY A 66 -8.917 -19.608 -4.677 1.00 0.00 C ATOM 984 O GLY A 66 -8.827 -20.693 -4.101 1.00 0.00 O ATOM 0 H GLY A 66 -8.102 -17.600 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.810 -19.995 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.062 -20.119 -6.574 1.00 0.00 H new ATOM 988 N VAL A 67 -9.037 -18.456 -4.036 1.00 0.00 N ATOM 989 CA VAL A 67 -9.067 -18.378 -2.576 1.00 0.00 C ATOM 990 C VAL A 67 -9.785 -17.107 -2.128 1.00 0.00 C ATOM 991 O VAL A 67 -10.674 -16.612 -2.822 1.00 0.00 O ATOM 992 CB VAL A 67 -7.640 -18.428 -1.988 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.878 -19.628 -2.513 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.882 -17.145 -2.292 1.00 0.00 C ATOM 0 H VAL A 67 -9.116 -17.553 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.616 -19.242 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.730 -18.526 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.876 -19.639 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.403 -20.542 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.806 -19.567 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.880 -17.205 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.811 -17.011 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.411 -16.298 -1.855 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.391 -16.566 -0.976 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.992 -15.345 -0.459 1.00 0.00 C ATOM 1006 C GLN A 68 -8.900 -14.360 -0.035 1.00 0.00 C ATOM 1007 O GLN A 68 -7.979 -14.719 0.697 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.951 -15.685 0.693 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.763 -14.875 1.965 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.649 -13.649 2.020 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.263 -13.363 3.040 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.717 -12.919 0.915 1.00 0.00 N ATOM 0 H GLN A 68 -8.657 -16.957 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.577 -14.860 -1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.974 -15.546 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.838 -16.741 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.974 -15.508 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.720 -14.567 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.188 -13.195 0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.298 -12.081 0.892 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.999 -13.123 -0.512 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.014 -12.094 -0.190 1.00 0.00 C ATOM 1023 C LEU A 69 -8.516 -11.190 0.935 1.00 0.00 C ATOM 1024 O LEU A 69 -9.686 -10.827 0.970 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.701 -11.264 -1.439 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.844 -10.012 -1.220 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.751 -10.264 -0.197 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.229 -9.577 -2.534 1.00 0.00 C ATOM 0 H LEU A 69 -9.752 -12.808 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.102 -12.584 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.193 -11.906 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.644 -10.959 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.489 -9.221 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.161 -9.357 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.201 -10.546 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.105 -11.070 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.621 -8.687 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.603 -10.379 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.020 -9.352 -3.249 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.627 -10.837 1.860 1.00 0.00 N ATOM 1041 CA VAL A 70 -7.993 -9.978 2.982 1.00 0.00 C ATOM 1042 C VAL A 70 -6.839 -9.032 3.335 1.00 0.00 C ATOM 1043 O VAL A 70 -5.793 -9.461 3.808 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.446 -10.815 4.215 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.824 -12.230 3.800 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.387 -10.862 5.304 1.00 0.00 C ATOM 0 H VAL A 70 -6.651 -11.132 1.855 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.845 -9.369 2.679 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.322 -10.314 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.137 -12.795 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.643 -12.192 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.963 -12.717 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.752 -11.457 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.477 -11.313 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.171 -9.850 5.646 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.022 -7.740 3.073 1.00 0.00 N ATOM 1057 CA ILE A 71 -5.967 -6.759 3.338 1.00 0.00 C ATOM 1058 C ILE A 71 -6.245 -5.913 4.581 1.00 0.00 C ATOM 1059 O ILE A 71 -7.353 -5.910 5.116 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.721 -5.839 2.118 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.732 -4.692 2.073 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.780 -6.643 0.827 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.166 -5.161 1.996 1.00 0.00 C ATOM 0 H ILE A 71 -7.879 -7.349 2.682 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.064 -7.340 3.528 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.726 -5.407 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.607 -4.072 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.517 -4.061 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.605 -5.982 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.015 -7.419 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.763 -7.105 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.830 -4.297 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.306 -5.757 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.398 -5.768 2.871 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.207 -5.212 5.039 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.294 -4.370 6.232 1.00 0.00 C ATOM 1077 C ASP A 72 -5.851 -2.980 5.916 1.00 0.00 C ATOM 1078 O ASP A 72 -5.595 -2.424 4.847 1.00 0.00 O ATOM 1079 CB ASP A 72 -3.907 -4.248 6.875 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.881 -3.294 8.055 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.001 -2.072 7.832 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -3.739 -3.772 9.200 1.00 0.00 O ATOM 0 H ASP A 72 -4.288 -5.212 4.597 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.986 -4.845 6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.578 -5.233 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.194 -3.908 6.124 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.629 -2.401 6.855 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.231 -1.073 6.687 1.00 0.00 C ATOM 1089 C PRO A 73 -6.235 -0.027 6.196 1.00 0.00 C ATOM 1090 O PRO A 73 -6.509 0.700 5.245 1.00 0.00 O ATOM 1091 CB PRO A 73 -7.717 -0.729 8.094 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.006 -2.048 8.718 1.00 0.00 C ATOM 1093 CD PRO A 73 -6.988 -3.003 8.156 1.00 0.00 C ATOM 0 HA PRO A 73 -8.018 -1.079 5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.958 -0.182 8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.607 -0.100 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.930 -1.991 9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.019 -2.376 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.120 -3.094 8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.402 -4.004 8.034 1.00 0.00 H new ATOM 1101 N MET A 74 -5.074 0.055 6.840 1.00 0.00 N ATOM 1102 CA MET A 74 -4.067 1.025 6.433 1.00 0.00 C ATOM 1103 C MET A 74 -3.813 0.900 4.934 1.00 0.00 C ATOM 1104 O MET A 74 -3.594 1.883 4.233 1.00 0.00 O ATOM 1105 CB MET A 74 -2.772 0.858 7.249 1.00 0.00 C ATOM 1106 CG MET A 74 -1.792 -0.172 6.701 1.00 0.00 C ATOM 1107 SD MET A 74 -0.151 -0.018 7.432 1.00 0.00 S ATOM 1108 CE MET A 74 -0.567 0.181 9.162 1.00 0.00 C ATOM 0 H MET A 74 -4.811 -0.530 7.634 1.00 0.00 H new ATOM 0 HA MET A 74 -4.438 2.030 6.636 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.268 1.823 7.304 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.037 0.578 8.269 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.178 -1.173 6.890 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.717 -0.058 5.620 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.315 -0.012 9.773 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.914 1.199 9.338 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.355 -0.523 9.430 1.00 0.00 H new ATOM 1118 N SER A 75 -3.893 -0.321 4.438 1.00 0.00 N ATOM 1119 CA SER A 75 -3.716 -0.559 3.023 1.00 0.00 C ATOM 1120 C SER A 75 -4.970 -0.127 2.277 1.00 0.00 C ATOM 1121 O SER A 75 -4.897 0.389 1.162 1.00 0.00 O ATOM 1122 CB SER A 75 -3.425 -2.037 2.758 1.00 0.00 C ATOM 1123 OG SER A 75 -2.471 -2.543 3.676 1.00 0.00 O ATOM 0 H SER A 75 -4.078 -1.157 4.993 1.00 0.00 H new ATOM 0 HA SER A 75 -2.866 0.023 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.348 -2.612 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.056 -2.161 1.740 1.00 0.00 H new ATOM 0 HG SER A 75 -2.304 -3.490 3.486 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.126 -0.345 2.905 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.411 0.008 2.307 1.00 0.00 C ATOM 1131 C LEU A 76 -7.366 1.380 1.646 1.00 0.00 C ATOM 1132 O LEU A 76 -7.891 1.560 0.552 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.529 -0.053 3.357 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.531 1.108 3.346 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.794 0.699 4.064 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -8.933 2.334 4.010 1.00 0.00 C ATOM 0 H LEU A 76 -6.197 -0.766 3.831 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.625 -0.723 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.080 -0.983 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.070 -0.100 4.344 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.768 1.355 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.503 1.527 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.235 -0.162 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.558 0.437 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.658 3.147 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.676 2.099 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.035 2.637 3.472 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.750 2.342 2.320 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.658 3.696 1.794 1.00 0.00 C ATOM 1150 C GLN A 77 -5.538 3.824 0.760 1.00 0.00 C ATOM 1151 O GLN A 77 -5.551 4.736 -0.065 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.499 4.713 2.940 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.140 5.402 3.031 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.447 5.117 4.342 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -3.986 6.028 5.031 1.00 0.00 O ATOM 1156 NE2 GLN A 77 -4.370 3.841 4.692 1.00 0.00 N ATOM 0 H GLN A 77 -6.308 2.210 3.230 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.590 3.921 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.267 5.479 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.690 4.202 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.509 5.068 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.271 6.478 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.767 3.122 4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.914 3.578 5.566 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.568 2.914 0.808 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.455 2.947 -0.129 1.00 0.00 C ATOM 1167 C TYR A 78 -3.800 2.233 -1.434 1.00 0.00 C ATOM 1168 O TYR A 78 -3.405 2.668 -2.516 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.221 2.289 0.486 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.410 3.202 1.374 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -0.712 4.282 0.850 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -1.332 2.972 2.739 1.00 0.00 C ATOM 1173 CE1 TYR A 78 0.039 5.108 1.664 1.00 0.00 C ATOM 1174 CE2 TYR A 78 -0.585 3.789 3.559 1.00 0.00 C ATOM 1175 CZ TYR A 78 0.100 4.857 3.019 1.00 0.00 C ATOM 1176 OH TYR A 78 0.848 5.674 3.834 1.00 0.00 O ATOM 0 H TYR A 78 -4.532 2.150 1.483 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.247 3.994 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.537 1.422 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.582 1.920 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.757 4.479 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.867 2.137 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.575 5.945 1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.536 3.594 4.620 1.00 0.00 H new ATOM 0 HH TYR A 78 0.784 5.360 4.760 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.512 1.120 -1.317 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.884 0.316 -2.483 1.00 0.00 C ATOM 1188 C LEU A 79 -6.226 0.723 -3.094 1.00 0.00 C ATOM 1189 O LEU A 79 -6.548 0.318 -4.207 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.835 -1.192 -2.165 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.850 -1.772 -1.157 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.159 -2.080 0.156 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.038 -0.857 -0.917 1.00 0.00 C ATOM 0 H LEU A 79 -4.846 0.750 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.135 0.522 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.957 -1.732 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.835 -1.419 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.242 -2.689 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.883 -2.489 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.366 -2.808 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.731 -1.165 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.715 -1.320 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.689 0.097 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.564 -0.690 -1.857 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.025 1.480 -2.345 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.367 1.895 -2.789 1.00 0.00 C ATOM 1207 C ILE A 80 -8.591 1.733 -4.298 1.00 0.00 C ATOM 1208 O ILE A 80 -7.893 2.317 -5.125 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.665 3.370 -2.425 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.822 4.318 -3.277 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.411 3.628 -0.955 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.338 4.086 -3.139 1.00 0.00 C ATOM 0 H ILE A 80 -6.769 1.824 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.045 1.225 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.719 3.557 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.105 4.203 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.049 5.346 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.628 4.671 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.054 2.984 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.367 3.415 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.799 4.792 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.042 4.229 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.099 3.068 -3.447 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.601 0.928 -4.615 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.002 0.647 -5.988 1.00 0.00 C ATOM 1226 C GLY A 81 -8.890 0.702 -7.025 1.00 0.00 C ATOM 1227 O GLY A 81 -9.131 1.100 -8.165 1.00 0.00 O ATOM 0 H GLY A 81 -10.170 0.448 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.454 -0.344 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.776 1.359 -6.274 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.685 0.290 -6.654 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.588 0.295 -7.610 1.00 0.00 C ATOM 1233 C GLY A 82 -6.551 -0.983 -8.431 1.00 0.00 C ATOM 1234 O GLY A 82 -7.594 -1.578 -8.704 1.00 0.00 O ATOM 0 H GLY A 82 -7.446 -0.044 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.690 1.152 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.643 0.414 -7.079 1.00 0.00 H new ATOM 1238 N THR A 83 -5.354 -1.417 -8.816 1.00 0.00 N ATOM 1239 CA THR A 83 -5.201 -2.644 -9.595 1.00 0.00 C ATOM 1240 C THR A 83 -3.858 -3.303 -9.291 1.00 0.00 C ATOM 1241 O THR A 83 -2.828 -2.634 -9.243 1.00 0.00 O ATOM 1242 CB THR A 83 -5.320 -2.351 -11.092 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.669 -2.110 -11.449 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.807 -3.478 -11.966 1.00 0.00 C ATOM 0 H THR A 83 -4.478 -0.940 -8.603 1.00 0.00 H new ATOM 0 HA THR A 83 -5.999 -3.330 -9.313 1.00 0.00 H new ATOM 0 HB THR A 83 -4.702 -1.470 -11.264 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.210 -2.014 -10.638 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.921 -3.205 -13.015 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.754 -3.656 -11.749 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.377 -4.384 -11.763 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.874 -4.618 -9.089 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.647 -5.353 -8.791 1.00 0.00 C ATOM 1254 C VAL A 84 -2.506 -6.586 -9.672 1.00 0.00 C ATOM 1255 O VAL A 84 -3.494 -7.156 -10.130 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.557 -5.783 -7.298 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.797 -5.384 -6.516 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.295 -7.279 -7.155 1.00 0.00 C ATOM 0 H VAL A 84 -4.716 -5.193 -9.126 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.830 -4.662 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.707 -5.248 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.692 -5.703 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.917 -4.301 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.673 -5.861 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.239 -7.539 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.106 -7.837 -7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.353 -7.531 -7.641 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.265 -7.005 -9.873 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.978 -8.191 -10.663 1.00 0.00 C ATOM 1270 C ASP A 85 0.312 -8.846 -10.188 1.00 0.00 C ATOM 1271 O ASP A 85 1.241 -8.164 -9.755 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.893 -7.849 -12.150 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.153 -6.550 -12.410 1.00 0.00 C ATOM 1274 OD1 ASP A 85 1.078 -6.517 -12.205 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -0.806 -5.568 -12.819 1.00 0.00 O ATOM 0 H ASP A 85 -0.439 -6.539 -9.498 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.796 -8.898 -10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.391 -8.660 -12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.900 -7.777 -12.560 1.00 0.00 H new ATOM 1280 N TYR A 86 0.364 -10.170 -10.260 1.00 0.00 N ATOM 1281 CA TYR A 86 1.539 -10.905 -9.826 1.00 0.00 C ATOM 1282 C TYR A 86 2.161 -11.684 -10.976 1.00 0.00 C ATOM 1283 O TYR A 86 1.461 -12.202 -11.845 1.00 0.00 O ATOM 1284 CB TYR A 86 1.159 -11.862 -8.699 1.00 0.00 C ATOM 1285 CG TYR A 86 2.006 -11.715 -7.457 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.389 -11.803 -7.519 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.417 -11.495 -6.222 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.163 -11.676 -6.381 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.182 -11.366 -5.079 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.555 -11.456 -5.164 1.00 0.00 C ATOM 1291 OH TYR A 86 4.321 -11.328 -4.028 1.00 0.00 O ATOM 0 H TYR A 86 -0.394 -10.754 -10.615 1.00 0.00 H new ATOM 0 HA TYR A 86 2.276 -10.187 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.114 -11.700 -8.435 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.240 -12.886 -9.063 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.869 -11.973 -8.472 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.342 -11.423 -6.152 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.239 -11.749 -6.445 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.707 -11.196 -4.124 1.00 0.00 H new ATOM 0 HH TYR A 86 3.738 -11.176 -3.255 1.00 0.00 H new ATOM 1301 N THR A 87 3.481 -11.774 -10.956 1.00 0.00 N ATOM 1302 CA THR A 87 4.217 -12.501 -11.974 1.00 0.00 C ATOM 1303 C THR A 87 5.470 -13.104 -11.362 1.00 0.00 C ATOM 1304 O THR A 87 6.524 -12.474 -11.331 1.00 0.00 O ATOM 1305 CB THR A 87 4.588 -11.580 -13.138 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.425 -11.057 -13.753 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.403 -12.273 -14.209 1.00 0.00 C ATOM 0 H THR A 87 4.068 -11.348 -10.239 1.00 0.00 H new ATOM 0 HA THR A 87 3.584 -13.299 -12.362 1.00 0.00 H new ATOM 0 HB THR A 87 5.193 -10.786 -12.700 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.683 -10.469 -14.494 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.633 -11.566 -15.006 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.331 -12.646 -13.776 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.832 -13.107 -14.618 1.00 0.00 H new ATOM 1413 N PHE A 95 6.025 -8.363 -7.892 1.00 0.00 N ATOM 1414 CA PHE A 95 4.691 -7.855 -7.590 1.00 0.00 C ATOM 1415 C PHE A 95 4.564 -6.387 -7.980 1.00 0.00 C ATOM 1416 O PHE A 95 5.439 -5.576 -7.673 1.00 0.00 O ATOM 1417 CB PHE A 95 4.383 -8.024 -6.101 1.00 0.00 C ATOM 1418 CG PHE A 95 2.918 -7.943 -5.779 1.00 0.00 C ATOM 1419 CD1 PHE A 95 1.986 -8.582 -6.581 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.470 -7.229 -4.677 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.638 -8.510 -6.292 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.123 -7.156 -4.383 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.206 -7.797 -5.192 1.00 0.00 C ATOM 0 HA PHE A 95 3.972 -8.431 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.768 -8.987 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.913 -7.255 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.318 -9.143 -7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.183 -6.725 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.078 -9.011 -6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.787 -6.598 -3.521 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.848 -7.741 -4.964 1.00 0.00 H new ATOM 1433 N THR A 96 3.470 -6.049 -8.654 1.00 0.00 N ATOM 1434 CA THR A 96 3.236 -4.673 -9.078 1.00 0.00 C ATOM 1435 C THR A 96 1.768 -4.290 -8.928 1.00 0.00 C ATOM 1436 O THR A 96 0.878 -5.009 -9.380 1.00 0.00 O ATOM 1437 CB THR A 96 3.677 -4.476 -10.526 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.742 -5.353 -10.852 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.137 -3.065 -10.818 1.00 0.00 C ATOM 0 H THR A 96 2.735 -6.705 -8.917 1.00 0.00 H new ATOM 0 HA THR A 96 3.828 -4.024 -8.433 1.00 0.00 H new ATOM 0 HB THR A 96 2.795 -4.689 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.008 -5.212 -11.784 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.437 -2.989 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.321 -2.369 -10.623 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.984 -2.819 -10.178 1.00 0.00 H new ATOM 1447 N VAL A 97 1.526 -3.151 -8.287 1.00 0.00 N ATOM 1448 CA VAL A 97 0.168 -2.665 -8.072 1.00 0.00 C ATOM 1449 C VAL A 97 0.024 -1.222 -8.544 1.00 0.00 C ATOM 1450 O VAL A 97 1.019 -0.533 -8.775 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.233 -2.748 -6.585 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.740 -2.668 -6.423 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.298 -4.020 -5.944 1.00 0.00 C ATOM 0 H VAL A 97 2.254 -2.546 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.494 -3.306 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 97 0.215 -1.895 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.996 -2.729 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.100 -1.723 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.208 -3.495 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.000 -4.051 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.110 -4.887 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.386 -4.035 -6.012 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.217 -0.766 -8.686 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.484 0.596 -9.133 1.00 0.00 C ATOM 1465 C ASN A 98 -2.729 1.159 -8.454 1.00 0.00 C ATOM 1466 O ASN A 98 -3.577 0.409 -7.972 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.653 0.629 -10.653 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.521 -0.079 -11.371 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.646 0.279 -11.218 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.861 -1.093 -12.159 1.00 0.00 N ATOM 0 H ASN A 98 -2.053 -1.320 -8.498 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.633 1.218 -8.856 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.600 0.161 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.702 1.665 -10.989 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.141 -1.608 -12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.842 -1.356 -12.257 1.00 0.00 H new