USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 ASN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 52 GLN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -2.74! (180deg=-3.87!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00709 X(o=-0.0071,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.27) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.014) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.555 11.155 -4.559 1.00 0.00 N ATOM 118 CA PHE A 8 -8.962 10.991 -3.223 1.00 0.00 C ATOM 119 C PHE A 8 -7.700 10.117 -3.217 1.00 0.00 C ATOM 120 O PHE A 8 -6.915 10.168 -2.269 1.00 0.00 O ATOM 121 CB PHE A 8 -10.000 10.396 -2.266 1.00 0.00 C ATOM 122 CG PHE A 8 -11.097 11.355 -1.900 1.00 0.00 C ATOM 123 CD1 PHE A 8 -10.967 12.191 -0.801 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.257 11.423 -2.656 1.00 0.00 C ATOM 125 CE1 PHE A 8 -11.972 13.077 -0.467 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.264 12.309 -2.327 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.122 13.137 -1.230 1.00 0.00 C ATOM 0 HA PHE A 8 -8.658 11.985 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.440 9.511 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.497 10.067 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.070 12.149 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.375 10.775 -3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.859 13.723 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.161 12.355 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.909 13.830 -0.970 1.00 0.00 H new ATOM 137 N LEU A 9 -7.504 9.323 -4.265 1.00 0.00 N ATOM 138 CA LEU A 9 -6.344 8.429 -4.339 1.00 0.00 C ATOM 139 C LEU A 9 -5.038 9.143 -4.739 1.00 0.00 C ATOM 140 O LEU A 9 -4.010 8.932 -4.095 1.00 0.00 O ATOM 141 CB LEU A 9 -6.618 7.266 -5.297 1.00 0.00 C ATOM 142 CG LEU A 9 -6.033 5.917 -4.864 1.00 0.00 C ATOM 143 CD1 LEU A 9 -6.970 5.208 -3.899 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.758 5.040 -6.077 1.00 0.00 C ATOM 0 H LEU A 9 -8.126 9.277 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.196 8.049 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.696 7.157 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.217 7.521 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.090 6.105 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.535 4.253 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.118 5.827 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.930 5.035 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.343 4.087 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.688 4.865 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.046 5.540 -6.733 1.00 0.00 H new ATOM 156 N PRO A 10 -5.031 9.982 -5.807 1.00 0.00 N ATOM 157 CA PRO A 10 -3.811 10.685 -6.250 1.00 0.00 C ATOM 158 C PRO A 10 -3.341 11.772 -5.278 1.00 0.00 C ATOM 159 O PRO A 10 -2.257 12.332 -5.446 1.00 0.00 O ATOM 160 CB PRO A 10 -4.216 11.314 -7.597 1.00 0.00 C ATOM 161 CG PRO A 10 -5.507 10.670 -7.968 1.00 0.00 C ATOM 162 CD PRO A 10 -6.171 10.307 -6.676 1.00 0.00 C ATOM 0 HA PRO A 10 -2.970 9.995 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.329 12.394 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.456 11.135 -8.357 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.130 11.350 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.340 9.786 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.761 11.133 -6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.846 9.459 -6.792 1.00 0.00 H new ATOM 170 N GLU A 11 -4.149 12.061 -4.262 1.00 0.00 N ATOM 171 CA GLU A 11 -3.808 13.079 -3.271 1.00 0.00 C ATOM 172 C GLU A 11 -2.906 12.509 -2.175 1.00 0.00 C ATOM 173 O GLU A 11 -1.942 13.150 -1.753 1.00 0.00 O ATOM 174 CB GLU A 11 -5.083 13.656 -2.656 1.00 0.00 C ATOM 175 CG GLU A 11 -5.808 14.639 -3.562 1.00 0.00 C ATOM 176 CD GLU A 11 -6.829 15.469 -2.812 1.00 0.00 C ATOM 177 OE1 GLU A 11 -7.783 14.882 -2.261 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.672 16.709 -2.770 1.00 0.00 O ATOM 0 H GLU A 11 -5.047 11.604 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.259 13.874 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.759 12.838 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.831 14.156 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.080 15.301 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.306 14.092 -4.363 1.00 0.00 H new ATOM 185 N ILE A 12 -3.223 11.298 -1.726 1.00 0.00 N ATOM 186 CA ILE A 12 -2.448 10.632 -0.681 1.00 0.00 C ATOM 187 C ILE A 12 -1.125 10.095 -1.227 1.00 0.00 C ATOM 188 O ILE A 12 -0.145 9.987 -0.490 1.00 0.00 O ATOM 189 CB ILE A 12 -3.243 9.482 -0.019 1.00 0.00 C ATOM 190 CG1 ILE A 12 -3.932 8.620 -1.077 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.268 10.046 0.954 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.935 7.143 -0.751 1.00 0.00 C ATOM 0 H ILE A 12 -4.015 10.755 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.237 11.385 0.078 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.544 8.852 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.961 8.959 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.435 8.770 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.822 9.228 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.758 10.619 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.960 10.696 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.441 6.596 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.908 6.788 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.458 6.979 0.191 1.00 0.00 H new ATOM 204 N LEU A 13 -1.119 9.740 -2.515 1.00 0.00 N ATOM 205 CA LEU A 13 0.070 9.203 -3.185 1.00 0.00 C ATOM 206 C LEU A 13 1.290 10.114 -3.005 1.00 0.00 C ATOM 207 O LEU A 13 2.384 9.641 -2.709 1.00 0.00 O ATOM 208 CB LEU A 13 -0.216 9.007 -4.679 1.00 0.00 C ATOM 209 CG LEU A 13 0.528 7.843 -5.344 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.316 7.228 -6.449 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.867 8.305 -5.899 1.00 0.00 C ATOM 0 H LEU A 13 -1.935 9.816 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 13 0.302 8.243 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.287 8.853 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.040 9.927 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 13 0.713 7.083 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.230 6.404 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.250 6.855 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.534 7.984 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.377 7.463 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.703 9.087 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.481 8.697 -5.088 1.00 0.00 H new ATOM 223 N ALA A 14 1.093 11.419 -3.179 1.00 0.00 N ATOM 224 CA ALA A 14 2.178 12.390 -3.045 1.00 0.00 C ATOM 225 C ALA A 14 2.736 12.430 -1.623 1.00 0.00 C ATOM 226 O ALA A 14 3.951 12.463 -1.426 1.00 0.00 O ATOM 227 CB ALA A 14 1.690 13.771 -3.459 1.00 0.00 C ATOM 0 H ALA A 14 0.189 11.830 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 14 2.988 12.077 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.503 14.490 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.358 13.744 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.859 14.070 -2.820 1.00 0.00 H new ATOM 233 N GLU A 15 1.840 12.419 -0.638 1.00 0.00 N ATOM 234 CA GLU A 15 2.234 12.467 0.770 1.00 0.00 C ATOM 235 C GLU A 15 2.798 11.136 1.276 1.00 0.00 C ATOM 236 O GLU A 15 3.363 11.081 2.368 1.00 0.00 O ATOM 237 CB GLU A 15 1.042 12.877 1.638 1.00 0.00 C ATOM 238 CG GLU A 15 0.661 14.343 1.503 1.00 0.00 C ATOM 239 CD GLU A 15 1.543 15.259 2.331 1.00 0.00 C ATOM 240 OE1 GLU A 15 1.206 15.501 3.509 1.00 0.00 O ATOM 241 OE2 GLU A 15 2.569 15.737 1.801 1.00 0.00 O ATOM 0 H GLU A 15 0.832 12.377 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 15 3.029 13.209 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.182 12.262 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.275 12.666 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.725 14.635 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.377 14.473 1.808 1.00 0.00 H new ATOM 248 N ILE A 16 2.656 10.063 0.499 1.00 0.00 N ATOM 249 CA ILE A 16 3.158 8.759 0.932 1.00 0.00 C ATOM 250 C ILE A 16 4.561 8.467 0.390 1.00 0.00 C ATOM 251 O ILE A 16 5.310 7.718 1.007 1.00 0.00 O ATOM 252 CB ILE A 16 2.194 7.599 0.557 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.487 6.367 1.416 1.00 0.00 C ATOM 254 CG2 ILE A 16 2.303 7.243 -0.917 1.00 0.00 C ATOM 255 CD1 ILE A 16 1.250 5.601 1.833 1.00 0.00 C ATOM 0 H ILE A 16 2.206 10.068 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 16 3.216 8.815 2.019 1.00 0.00 H new ATOM 0 HB ILE A 16 1.176 7.937 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.147 5.699 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.027 6.680 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.616 6.428 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.048 8.114 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.323 6.931 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.541 4.743 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.598 6.252 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.719 5.256 0.946 1.00 0.00 H new ATOM 267 N ILE A 17 4.930 9.066 -0.745 1.00 0.00 N ATOM 268 CA ILE A 17 6.256 8.828 -1.327 1.00 0.00 C ATOM 269 C ILE A 17 7.380 9.267 -0.382 1.00 0.00 C ATOM 270 O ILE A 17 8.399 8.587 -0.259 1.00 0.00 O ATOM 271 CB ILE A 17 6.442 9.551 -2.683 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.280 9.246 -3.627 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.759 9.136 -3.328 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.040 10.324 -4.667 1.00 0.00 C ATOM 0 H ILE A 17 4.341 9.710 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 17 6.315 7.752 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 17 6.461 10.624 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.474 8.301 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.372 9.112 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.876 9.652 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.586 9.399 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.758 8.059 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.200 10.038 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.814 11.267 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.933 10.443 -5.280 1.00 0.00 H new ATOM 286 N ALA A 18 7.178 10.392 0.301 1.00 0.00 N ATOM 287 CA ALA A 18 8.183 10.931 1.214 1.00 0.00 C ATOM 288 C ALA A 18 8.029 10.401 2.642 1.00 0.00 C ATOM 289 O ALA A 18 8.893 10.636 3.486 1.00 0.00 O ATOM 290 CB ALA A 18 8.117 12.451 1.213 1.00 0.00 C ATOM 0 H ALA A 18 6.326 10.949 0.239 1.00 0.00 H new ATOM 0 HA ALA A 18 9.157 10.599 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.868 12.848 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.308 12.823 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.127 12.772 1.536 1.00 0.00 H new ATOM 296 N ASN A 19 6.932 9.697 2.917 1.00 0.00 N ATOM 297 CA ASN A 19 6.682 9.172 4.260 1.00 0.00 C ATOM 298 C ASN A 19 6.599 7.645 4.277 1.00 0.00 C ATOM 299 O ASN A 19 5.989 7.062 5.175 1.00 0.00 O ATOM 300 CB ASN A 19 5.388 9.767 4.820 1.00 0.00 C ATOM 301 CG ASN A 19 5.558 11.211 5.254 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.940 11.488 6.390 1.00 0.00 O ATOM 303 ND2 ASN A 19 5.272 12.140 4.349 1.00 0.00 N ATOM 0 H ASN A 19 6.207 9.478 2.234 1.00 0.00 H new ATOM 0 HA ASN A 19 7.526 9.462 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.606 9.707 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.055 9.171 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.366 13.128 4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.958 11.866 3.418 1.00 0.00 H new ATOM 310 N LEU A 20 7.207 7.001 3.290 1.00 0.00 N ATOM 311 CA LEU A 20 7.177 5.542 3.211 1.00 0.00 C ATOM 312 C LEU A 20 8.574 4.949 3.095 1.00 0.00 C ATOM 313 O LEU A 20 9.483 5.560 2.533 1.00 0.00 O ATOM 314 CB LEU A 20 6.341 5.085 2.016 1.00 0.00 C ATOM 315 CG LEU A 20 5.969 3.602 2.012 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.601 3.396 2.641 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.994 3.051 0.593 1.00 0.00 C ATOM 0 H LEU A 20 7.723 7.458 2.538 1.00 0.00 H new ATOM 0 HA LEU A 20 6.726 5.185 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.424 5.673 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.891 5.308 1.102 1.00 0.00 H new ATOM 0 HG LEU A 20 6.705 3.059 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.352 2.335 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.616 3.755 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.853 3.950 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.727 1.994 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.279 3.597 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.994 3.166 0.175 1.00 0.00 H new ATOM 329 N ASP A 21 8.728 3.744 3.634 1.00 0.00 N ATOM 330 CA ASP A 21 9.992 3.025 3.585 1.00 0.00 C ATOM 331 C ASP A 21 9.760 1.615 3.046 1.00 0.00 C ATOM 332 O ASP A 21 9.385 0.714 3.795 1.00 0.00 O ATOM 333 CB ASP A 21 10.633 2.965 4.976 1.00 0.00 C ATOM 334 CG ASP A 21 11.285 4.276 5.368 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.568 5.176 5.854 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.513 4.405 5.187 1.00 0.00 O ATOM 0 H ASP A 21 7.982 3.242 4.115 1.00 0.00 H new ATOM 0 HA ASP A 21 10.674 3.555 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.873 2.706 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.379 2.171 4.995 1.00 0.00 H new ATOM 341 N PRO A 22 9.976 1.416 1.728 1.00 0.00 N ATOM 342 CA PRO A 22 9.773 0.118 1.053 1.00 0.00 C ATOM 343 C PRO A 22 10.607 -1.024 1.637 1.00 0.00 C ATOM 344 O PRO A 22 10.243 -2.188 1.506 1.00 0.00 O ATOM 345 CB PRO A 22 10.213 0.392 -0.391 1.00 0.00 C ATOM 346 CG PRO A 22 10.114 1.866 -0.557 1.00 0.00 C ATOM 347 CD PRO A 22 10.435 2.453 0.785 1.00 0.00 C ATOM 0 HA PRO A 22 8.740 -0.213 1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.231 0.044 -0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.572 -0.128 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.811 2.221 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.115 2.156 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.501 2.651 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.918 3.399 0.944 1.00 0.00 H new ATOM 355 N THR A 23 11.718 -0.684 2.277 1.00 0.00 N ATOM 356 CA THR A 23 12.607 -1.682 2.864 1.00 0.00 C ATOM 357 C THR A 23 12.053 -2.260 4.166 1.00 0.00 C ATOM 358 O THR A 23 12.062 -3.474 4.369 1.00 0.00 O ATOM 359 CB THR A 23 13.990 -1.070 3.154 1.00 0.00 C ATOM 360 OG1 THR A 23 13.836 0.277 3.619 1.00 0.00 O ATOM 361 CG2 THR A 23 14.861 -1.081 1.908 1.00 0.00 C ATOM 0 H THR A 23 12.027 0.280 2.404 1.00 0.00 H new ATOM 0 HA THR A 23 12.691 -2.487 2.134 1.00 0.00 H new ATOM 0 HB THR A 23 14.476 -1.671 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.718 0.662 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.832 -0.644 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.997 -2.108 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.379 -0.500 1.122 1.00 0.00 H new ATOM 369 N LYS A 24 11.563 -1.379 5.034 1.00 0.00 N ATOM 370 CA LYS A 24 11.038 -1.779 6.338 1.00 0.00 C ATOM 371 C LYS A 24 9.712 -2.536 6.251 1.00 0.00 C ATOM 372 O LYS A 24 9.420 -3.372 7.106 1.00 0.00 O ATOM 373 CB LYS A 24 10.869 -0.549 7.229 1.00 0.00 C ATOM 374 CG LYS A 24 11.090 -0.836 8.703 1.00 0.00 C ATOM 375 CD LYS A 24 10.922 0.415 9.548 1.00 0.00 C ATOM 376 CE LYS A 24 11.058 0.102 11.029 1.00 0.00 C ATOM 377 NZ LYS A 24 10.901 1.318 11.874 1.00 0.00 N ATOM 0 H LYS A 24 11.518 -0.376 4.856 1.00 0.00 H new ATOM 0 HA LYS A 24 11.766 -2.466 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.569 0.222 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.866 -0.145 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.385 -1.598 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.091 -1.243 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.669 1.154 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.945 0.858 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.308 -0.636 11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.034 -0.346 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.001 1.059 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.632 2.013 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.960 1.732 11.715 1.00 0.00 H new ATOM 391 N ILE A 25 8.904 -2.253 5.236 1.00 0.00 N ATOM 392 CA ILE A 25 7.612 -2.927 5.106 1.00 0.00 C ATOM 393 C ILE A 25 7.711 -4.232 4.317 1.00 0.00 C ATOM 394 O ILE A 25 6.998 -5.190 4.614 1.00 0.00 O ATOM 395 CB ILE A 25 6.548 -2.020 4.448 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.089 -1.379 3.170 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.085 -0.948 5.424 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.034 -1.176 2.108 1.00 0.00 C ATOM 0 H ILE A 25 9.112 -1.575 4.503 1.00 0.00 H new ATOM 0 HA ILE A 25 7.302 -3.158 6.125 1.00 0.00 H new ATOM 0 HB ILE A 25 5.693 -2.641 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.536 -0.416 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.884 -2.006 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.336 -0.318 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.651 -1.421 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.936 -0.336 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.486 -0.717 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.604 -2.139 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.250 -0.525 2.494 1.00 0.00 H new ATOM 410 N LEU A 26 8.603 -4.275 3.330 1.00 0.00 N ATOM 411 CA LEU A 26 8.761 -5.464 2.493 1.00 0.00 C ATOM 412 C LEU A 26 9.340 -6.649 3.264 1.00 0.00 C ATOM 413 O LEU A 26 8.979 -7.796 2.998 1.00 0.00 O ATOM 414 CB LEU A 26 9.653 -5.155 1.289 1.00 0.00 C ATOM 415 CG LEU A 26 9.398 -6.017 0.053 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.281 -5.420 -0.785 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.668 -6.152 -0.771 1.00 0.00 C ATOM 0 H LEU A 26 9.226 -3.504 3.090 1.00 0.00 H new ATOM 0 HA LEU A 26 7.763 -5.743 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.519 -4.108 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.694 -5.275 1.588 1.00 0.00 H new ATOM 0 HG LEU A 26 9.092 -7.011 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.110 -6.044 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.368 -5.370 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.562 -4.416 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.469 -6.769 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.001 -5.165 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.446 -6.620 -0.167 1.00 0.00 H new ATOM 429 N GLU A 27 10.218 -6.373 4.222 1.00 0.00 N ATOM 430 CA GLU A 27 10.856 -7.432 5.001 1.00 0.00 C ATOM 431 C GLU A 27 9.858 -8.202 5.873 1.00 0.00 C ATOM 432 O GLU A 27 9.931 -9.428 5.961 1.00 0.00 O ATOM 433 CB GLU A 27 11.982 -6.854 5.866 1.00 0.00 C ATOM 434 CG GLU A 27 11.554 -5.680 6.733 1.00 0.00 C ATOM 435 CD GLU A 27 12.687 -5.127 7.572 1.00 0.00 C ATOM 436 OE1 GLU A 27 13.399 -4.221 7.089 1.00 0.00 O ATOM 437 OE2 GLU A 27 12.863 -5.599 8.714 1.00 0.00 O ATOM 0 H GLU A 27 10.505 -5.428 4.479 1.00 0.00 H new ATOM 0 HA GLU A 27 11.275 -8.143 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.375 -7.643 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.798 -6.535 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.160 -4.888 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.742 -5.995 7.389 1.00 0.00 H new ATOM 444 N GLU A 28 8.919 -7.491 6.498 1.00 0.00 N ATOM 445 CA GLU A 28 7.933 -8.122 7.376 1.00 0.00 C ATOM 446 C GLU A 28 6.842 -8.856 6.595 1.00 0.00 C ATOM 447 O GLU A 28 6.193 -9.761 7.126 1.00 0.00 O ATOM 448 CB GLU A 28 7.299 -7.078 8.296 1.00 0.00 C ATOM 449 CG GLU A 28 6.934 -7.622 9.669 1.00 0.00 C ATOM 450 CD GLU A 28 8.149 -7.881 10.537 1.00 0.00 C ATOM 451 OE1 GLU A 28 8.764 -8.960 10.394 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.486 -7.005 11.359 1.00 0.00 O ATOM 0 H GLU A 28 8.820 -6.479 6.413 1.00 0.00 H new ATOM 0 HA GLU A 28 8.465 -8.864 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.990 -6.244 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.402 -6.683 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.277 -6.913 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.373 -8.549 9.551 1.00 0.00 H new ATOM 459 N LEU A 29 6.648 -8.476 5.337 1.00 0.00 N ATOM 460 CA LEU A 29 5.625 -9.094 4.499 1.00 0.00 C ATOM 461 C LEU A 29 6.083 -10.448 3.957 1.00 0.00 C ATOM 462 O LEU A 29 5.295 -11.392 3.875 1.00 0.00 O ATOM 463 CB LEU A 29 5.269 -8.163 3.337 1.00 0.00 C ATOM 464 CG LEU A 29 4.333 -7.009 3.695 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.471 -5.878 2.689 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.893 -7.492 3.761 1.00 0.00 C ATOM 0 H LEU A 29 7.185 -7.743 4.874 1.00 0.00 H new ATOM 0 HA LEU A 29 4.744 -9.261 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.191 -7.749 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.806 -8.754 2.547 1.00 0.00 H new ATOM 0 HG LEU A 29 4.614 -6.630 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.797 -5.065 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.498 -5.513 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.217 -6.243 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.241 -6.657 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.600 -7.897 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.804 -8.268 4.521 1.00 0.00 H new ATOM 478 N LEU A 30 7.360 -10.533 3.596 1.00 0.00 N ATOM 479 CA LEU A 30 7.928 -11.760 3.041 1.00 0.00 C ATOM 480 C LEU A 30 8.133 -12.841 4.104 1.00 0.00 C ATOM 481 O LEU A 30 8.064 -14.033 3.799 1.00 0.00 O ATOM 482 CB LEU A 30 9.257 -11.463 2.346 1.00 0.00 C ATOM 483 CG LEU A 30 9.151 -10.634 1.066 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.431 -9.848 0.832 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.853 -11.535 -0.121 1.00 0.00 C ATOM 0 H LEU A 30 8.025 -9.764 3.678 1.00 0.00 H new ATOM 0 HA LEU A 30 7.209 -12.143 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.906 -10.938 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.744 -12.409 2.108 1.00 0.00 H new ATOM 0 HG LEU A 30 8.331 -9.925 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.337 -9.264 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.605 -9.178 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.270 -10.538 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.780 -10.932 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.655 -12.264 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.910 -12.056 0.045 1.00 0.00 H new ATOM 497 N ARG A 31 8.400 -12.421 5.343 1.00 0.00 N ATOM 498 CA ARG A 31 8.636 -13.353 6.449 1.00 0.00 C ATOM 499 C ARG A 31 7.435 -14.265 6.706 1.00 0.00 C ATOM 500 O ARG A 31 7.600 -15.438 7.038 1.00 0.00 O ATOM 501 CB ARG A 31 8.975 -12.580 7.725 1.00 0.00 C ATOM 502 CG ARG A 31 10.367 -11.970 7.716 1.00 0.00 C ATOM 503 CD ARG A 31 11.409 -12.938 8.250 1.00 0.00 C ATOM 504 NE ARG A 31 12.745 -12.347 8.270 1.00 0.00 N ATOM 505 CZ ARG A 31 13.835 -12.995 8.674 1.00 0.00 C ATOM 506 NH1 ARG A 31 13.745 -14.252 9.089 1.00 0.00 N ATOM 507 NH2 ARG A 31 15.014 -12.386 8.668 1.00 0.00 N ATOM 0 H ARG A 31 8.458 -11.437 5.606 1.00 0.00 H new ATOM 0 HA ARG A 31 9.476 -13.985 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.241 -11.787 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.887 -13.250 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.629 -11.678 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.370 -11.062 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.134 -13.247 9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.419 -13.837 7.633 1.00 0.00 H new ATOM 0 HE ARG A 31 12.848 -11.382 7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.840 -14.722 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.581 -14.748 9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.087 -11.419 8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.848 -12.885 8.978 1.00 0.00 H new ATOM 521 N ARG A 32 6.230 -13.721 6.550 1.00 0.00 N ATOM 522 CA ARG A 32 5.010 -14.494 6.776 1.00 0.00 C ATOM 523 C ARG A 32 4.542 -15.195 5.502 1.00 0.00 C ATOM 524 O ARG A 32 3.676 -16.069 5.550 1.00 0.00 O ATOM 525 CB ARG A 32 3.904 -13.583 7.313 1.00 0.00 C ATOM 526 CG ARG A 32 4.191 -13.043 8.707 1.00 0.00 C ATOM 527 CD ARG A 32 2.917 -12.599 9.411 1.00 0.00 C ATOM 528 NE ARG A 32 2.125 -13.732 9.885 1.00 0.00 N ATOM 529 CZ ARG A 32 0.968 -13.610 10.534 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.466 -12.408 10.787 1.00 0.00 N ATOM 531 NH2 ARG A 32 0.313 -14.693 10.930 1.00 0.00 N ATOM 0 H ARG A 32 6.072 -12.753 6.270 1.00 0.00 H new ATOM 0 HA ARG A 32 5.235 -15.264 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.768 -12.746 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.965 -14.136 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.686 -13.812 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.880 -12.202 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.174 -11.959 10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.317 -11.999 8.728 1.00 0.00 H new ATOM 0 HE ARG A 32 2.479 -14.672 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.966 -11.572 10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.420 -12.320 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.695 -15.619 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.573 -14.600 11.427 1.00 0.00 H new ATOM 545 N GLY A 33 5.123 -14.812 4.368 1.00 0.00 N ATOM 546 CA GLY A 33 4.760 -15.415 3.097 1.00 0.00 C ATOM 547 C GLY A 33 3.471 -14.851 2.529 1.00 0.00 C ATOM 548 O GLY A 33 2.680 -15.578 1.929 1.00 0.00 O ATOM 0 H GLY A 33 5.842 -14.091 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.567 -15.258 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.654 -16.492 3.227 1.00 0.00 H new ATOM 552 N LEU A 34 3.262 -13.550 2.718 1.00 0.00 N ATOM 553 CA LEU A 34 2.063 -12.882 2.218 1.00 0.00 C ATOM 554 C LEU A 34 2.341 -12.163 0.903 1.00 0.00 C ATOM 555 O LEU A 34 1.423 -11.672 0.249 1.00 0.00 O ATOM 556 CB LEU A 34 1.552 -11.870 3.253 1.00 0.00 C ATOM 557 CG LEU A 34 0.101 -11.408 3.067 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.606 -11.326 4.410 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.052 -10.061 2.355 1.00 0.00 C ATOM 0 H LEU A 34 3.908 -12.937 3.214 1.00 0.00 H new ATOM 0 HA LEU A 34 1.304 -13.645 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.650 -12.311 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.200 -10.994 3.228 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.416 -12.141 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.634 -10.997 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.605 -12.308 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.087 -10.614 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.986 -9.751 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.585 -9.317 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.522 -10.150 1.375 1.00 0.00 H new ATOM 571 N LEU A 35 3.597 -12.138 0.486 1.00 0.00 N ATOM 572 CA LEU A 35 3.954 -11.433 -0.731 1.00 0.00 C ATOM 573 C LEU A 35 4.351 -12.390 -1.853 1.00 0.00 C ATOM 574 O LEU A 35 5.110 -13.336 -1.638 1.00 0.00 O ATOM 575 CB LEU A 35 5.099 -10.459 -0.449 1.00 0.00 C ATOM 576 CG LEU A 35 4.924 -9.069 -1.062 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.824 -8.060 -0.370 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.210 -9.100 -2.555 1.00 0.00 C ATOM 0 H LEU A 35 4.375 -12.591 0.965 1.00 0.00 H new ATOM 0 HA LEU A 35 3.073 -10.884 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.210 -10.353 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.026 -10.892 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 35 3.888 -8.762 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.684 -7.078 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.570 -8.012 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.865 -8.365 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.080 -8.101 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.235 -9.432 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.521 -9.789 -3.043 1.00 0.00 H new ATOM 590 N THR A 36 3.823 -12.134 -3.054 1.00 0.00 N ATOM 591 CA THR A 36 4.123 -12.954 -4.220 1.00 0.00 C ATOM 592 C THR A 36 5.317 -12.389 -4.988 1.00 0.00 C ATOM 593 O THR A 36 5.451 -11.176 -5.136 1.00 0.00 O ATOM 594 CB THR A 36 2.910 -13.053 -5.169 1.00 0.00 C ATOM 595 OG1 THR A 36 2.344 -11.756 -5.389 1.00 0.00 O ATOM 596 CG2 THR A 36 1.849 -13.976 -4.592 1.00 0.00 C ATOM 0 H THR A 36 3.184 -11.361 -3.239 1.00 0.00 H new ATOM 0 HA THR A 36 4.365 -13.952 -3.856 1.00 0.00 H new ATOM 0 HB THR A 36 3.257 -13.462 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.577 -11.832 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.003 -14.031 -5.277 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.269 -14.972 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.513 -13.588 -3.631 1.00 0.00 H new ATOM 604 N PRO A 37 6.201 -13.268 -5.486 1.00 0.00 N ATOM 605 CA PRO A 37 7.397 -12.856 -6.236 1.00 0.00 C ATOM 606 C PRO A 37 7.077 -12.263 -7.612 1.00 0.00 C ATOM 607 O PRO A 37 7.865 -11.489 -8.149 1.00 0.00 O ATOM 608 CB PRO A 37 8.187 -14.161 -6.383 1.00 0.00 C ATOM 609 CG PRO A 37 7.166 -15.241 -6.283 1.00 0.00 C ATOM 610 CD PRO A 37 6.109 -14.732 -5.345 1.00 0.00 C ATOM 0 HA PRO A 37 7.937 -12.062 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.711 -14.200 -7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.941 -14.257 -5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.742 -15.468 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.610 -16.163 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.120 -15.100 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.296 -15.049 -4.319 1.00 0.00 H new ATOM 618 N ALA A 38 5.923 -12.624 -8.173 1.00 0.00 N ATOM 619 CA ALA A 38 5.509 -12.123 -9.484 1.00 0.00 C ATOM 620 C ALA A 38 5.213 -10.624 -9.439 1.00 0.00 C ATOM 621 O ALA A 38 5.688 -9.864 -10.284 1.00 0.00 O ATOM 622 CB ALA A 38 4.294 -12.894 -9.976 1.00 0.00 C ATOM 0 H ALA A 38 5.257 -13.263 -7.739 1.00 0.00 H new ATOM 0 HA ALA A 38 6.332 -12.275 -10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.993 -12.514 -10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.544 -13.952 -10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.473 -12.769 -9.269 1.00 0.00 H new ATOM 628 N GLU A 39 4.432 -10.209 -8.444 1.00 0.00 N ATOM 629 CA GLU A 39 4.075 -8.802 -8.274 1.00 0.00 C ATOM 630 C GLU A 39 5.260 -8.007 -7.733 1.00 0.00 C ATOM 631 O GLU A 39 5.436 -6.828 -8.060 1.00 0.00 O ATOM 632 CB GLU A 39 2.876 -8.672 -7.335 1.00 0.00 C ATOM 633 CG GLU A 39 1.937 -7.531 -7.701 1.00 0.00 C ATOM 634 CD GLU A 39 1.006 -7.882 -8.845 1.00 0.00 C ATOM 635 OE1 GLU A 39 -0.075 -8.449 -8.577 1.00 0.00 O ATOM 636 OE2 GLU A 39 1.355 -7.589 -10.007 1.00 0.00 O ATOM 0 H GLU A 39 4.033 -10.830 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 39 3.805 -8.394 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.317 -9.608 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.237 -8.523 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.345 -7.259 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.526 -6.655 -7.973 1.00 0.00 H new ATOM 643 N LEU A 40 6.072 -8.663 -6.907 1.00 0.00 N ATOM 644 CA LEU A 40 7.245 -8.032 -6.312 1.00 0.00 C ATOM 645 C LEU A 40 8.263 -7.641 -7.376 1.00 0.00 C ATOM 646 O LEU A 40 8.776 -6.527 -7.362 1.00 0.00 O ATOM 647 CB LEU A 40 7.900 -8.970 -5.299 1.00 0.00 C ATOM 648 CG LEU A 40 8.839 -8.286 -4.296 1.00 0.00 C ATOM 649 CD1 LEU A 40 8.755 -8.955 -2.934 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.272 -8.305 -4.805 1.00 0.00 C ATOM 0 H LEU A 40 5.937 -9.637 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 40 6.910 -7.128 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.116 -9.488 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.463 -9.730 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 40 8.521 -7.249 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.429 -8.453 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.734 -8.890 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.042 -10.003 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.922 -7.815 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.595 -9.337 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.327 -7.776 -5.757 1.00 0.00 H new ATOM 662 N GLN A 41 8.545 -8.566 -8.294 1.00 0.00 N ATOM 663 CA GLN A 41 9.515 -8.329 -9.362 1.00 0.00 C ATOM 664 C GLN A 41 9.100 -7.170 -10.257 1.00 0.00 C ATOM 665 O GLN A 41 9.934 -6.585 -10.939 1.00 0.00 O ATOM 666 CB GLN A 41 9.701 -9.593 -10.203 1.00 0.00 C ATOM 667 CG GLN A 41 10.616 -10.618 -9.556 1.00 0.00 C ATOM 668 CD GLN A 41 12.083 -10.368 -9.847 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.611 -10.825 -10.859 1.00 0.00 O ATOM 670 NE2 GLN A 41 12.749 -9.641 -8.957 1.00 0.00 N ATOM 0 H GLN A 41 8.113 -9.490 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 41 10.461 -8.065 -8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.727 -10.048 -10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.107 -9.317 -11.176 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.458 -10.609 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.345 -11.613 -9.909 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.270 -9.282 -8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.739 -9.442 -9.099 1.00 0.00 H new ATOM 679 N GLU A 42 7.812 -6.843 -10.259 1.00 0.00 N ATOM 680 CA GLU A 42 7.310 -5.745 -11.080 1.00 0.00 C ATOM 681 C GLU A 42 7.669 -4.391 -10.465 1.00 0.00 C ATOM 682 O GLU A 42 8.325 -3.557 -11.101 1.00 0.00 O ATOM 683 CB GLU A 42 5.794 -5.862 -11.249 1.00 0.00 C ATOM 684 CG GLU A 42 5.285 -5.344 -12.584 1.00 0.00 C ATOM 685 CD GLU A 42 3.829 -5.690 -12.828 1.00 0.00 C ATOM 686 OE1 GLU A 42 2.958 -4.884 -12.440 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.560 -6.760 -13.410 1.00 0.00 O ATOM 0 H GLU A 42 7.100 -7.319 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 42 7.783 -5.810 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.505 -6.908 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.304 -5.312 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.408 -4.262 -12.620 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.893 -5.761 -13.387 1.00 0.00 H new ATOM 694 N VAL A 43 7.259 -4.190 -9.212 1.00 0.00 N ATOM 695 CA VAL A 43 7.527 -2.937 -8.513 1.00 0.00 C ATOM 696 C VAL A 43 9.013 -2.797 -8.165 1.00 0.00 C ATOM 697 O VAL A 43 9.535 -1.689 -8.080 1.00 0.00 O ATOM 698 CB VAL A 43 6.657 -2.796 -7.237 1.00 0.00 C ATOM 699 CG1 VAL A 43 6.927 -3.923 -6.252 1.00 0.00 C ATOM 700 CG2 VAL A 43 6.875 -1.443 -6.573 1.00 0.00 C ATOM 0 H VAL A 43 6.742 -4.877 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 43 7.258 -2.130 -9.195 1.00 0.00 H new ATOM 0 HB VAL A 43 5.614 -2.863 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.301 -3.793 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.698 -4.880 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.976 -3.905 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.253 -1.371 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.923 -1.340 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.605 -0.649 -7.269 1.00 0.00 H new ATOM 710 N LEU A 44 9.700 -3.920 -7.993 1.00 0.00 N ATOM 711 CA LEU A 44 11.120 -3.892 -7.663 1.00 0.00 C ATOM 712 C LEU A 44 11.966 -3.619 -8.901 1.00 0.00 C ATOM 713 O LEU A 44 13.101 -3.151 -8.796 1.00 0.00 O ATOM 714 CB LEU A 44 11.541 -5.207 -7.012 1.00 0.00 C ATOM 715 CG LEU A 44 12.884 -5.169 -6.288 1.00 0.00 C ATOM 716 CD1 LEU A 44 12.707 -4.653 -4.870 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.523 -6.549 -6.283 1.00 0.00 C ATOM 0 H LEU A 44 9.301 -4.855 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 44 11.285 -3.080 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.771 -5.506 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.582 -5.979 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 44 13.547 -4.487 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.674 -4.632 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.291 -3.646 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.029 -5.310 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.480 -6.505 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.865 -7.253 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.683 -6.880 -7.309 1.00 0.00 H new ATOM 729 N ASP A 45 11.405 -3.913 -10.072 1.00 0.00 N ATOM 730 CA ASP A 45 12.099 -3.684 -11.333 1.00 0.00 C ATOM 731 C ASP A 45 12.142 -2.198 -11.676 1.00 0.00 C ATOM 732 O ASP A 45 13.166 -1.695 -12.135 1.00 0.00 O ATOM 733 CB ASP A 45 11.419 -4.451 -12.467 1.00 0.00 C ATOM 734 CG ASP A 45 12.390 -4.840 -13.565 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.035 -5.900 -13.438 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.502 -4.083 -14.553 1.00 0.00 O ATOM 0 H ASP A 45 10.471 -4.311 -10.172 1.00 0.00 H new ATOM 0 HA ASP A 45 13.121 -4.045 -11.217 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.951 -5.349 -12.065 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.623 -3.839 -12.890 1.00 0.00 H new ATOM 741 N LEU A 46 11.032 -1.496 -11.444 1.00 0.00 N ATOM 742 CA LEU A 46 10.976 -0.065 -11.753 1.00 0.00 C ATOM 743 C LEU A 46 11.768 0.758 -10.747 1.00 0.00 C ATOM 744 O LEU A 46 11.861 0.411 -9.569 1.00 0.00 O ATOM 745 CB LEU A 46 9.535 0.452 -11.798 1.00 0.00 C ATOM 746 CG LEU A 46 8.599 -0.091 -10.719 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.506 0.883 -9.559 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.221 -0.354 -11.297 1.00 0.00 C ATOM 0 H LEU A 46 10.175 -1.884 -11.051 1.00 0.00 H new ATOM 0 HA LEU A 46 11.424 0.050 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.557 1.539 -11.720 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.113 0.211 -12.773 1.00 0.00 H new ATOM 0 HG LEU A 46 9.007 -1.032 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.836 0.481 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.496 1.031 -9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.119 1.838 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.566 -0.740 -10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.808 0.575 -11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.297 -1.086 -12.101 1.00 0.00 H new ATOM 760 N LYS A 47 12.331 1.857 -11.229 1.00 0.00 N ATOM 761 CA LYS A 47 13.102 2.756 -10.387 1.00 0.00 C ATOM 762 C LYS A 47 12.369 4.080 -10.224 1.00 0.00 C ATOM 763 O LYS A 47 12.911 5.038 -9.675 1.00 0.00 O ATOM 764 CB LYS A 47 14.486 2.993 -10.989 1.00 0.00 C ATOM 765 CG LYS A 47 15.424 1.812 -10.821 1.00 0.00 C ATOM 766 CD LYS A 47 16.785 2.088 -11.435 1.00 0.00 C ATOM 767 CE LYS A 47 17.721 0.903 -11.262 1.00 0.00 C ATOM 768 NZ LYS A 47 19.066 1.163 -11.848 1.00 0.00 N ATOM 0 H LYS A 47 12.267 2.147 -12.205 1.00 0.00 H new ATOM 0 HA LYS A 47 13.222 2.296 -9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.380 3.215 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.932 3.871 -10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.541 1.588 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.986 0.929 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.669 2.310 -12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.223 2.971 -10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.826 0.676 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.284 0.024 -11.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.673 0.330 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.970 1.355 -12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.495 1.986 -11.380 1.00 0.00 H new ATOM 782 N THR A 48 11.131 4.126 -10.710 1.00 0.00 N ATOM 783 CA THR A 48 10.320 5.335 -10.626 1.00 0.00 C ATOM 784 C THR A 48 9.596 5.423 -9.281 1.00 0.00 C ATOM 785 O THR A 48 8.864 4.512 -8.904 1.00 0.00 O ATOM 786 CB THR A 48 9.294 5.389 -11.772 1.00 0.00 C ATOM 787 OG1 THR A 48 8.732 4.089 -11.981 1.00 0.00 O ATOM 788 CG2 THR A 48 9.953 5.875 -13.055 1.00 0.00 C ATOM 0 H THR A 48 10.669 3.339 -11.166 1.00 0.00 H new ATOM 0 HA THR A 48 10.995 6.186 -10.715 1.00 0.00 H new ATOM 0 HB THR A 48 8.503 6.087 -11.499 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.078 4.129 -12.710 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.213 5.907 -13.855 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.362 6.873 -12.899 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.757 5.193 -13.332 1.00 0.00 H new ATOM 796 N PRO A 49 9.793 6.537 -8.553 1.00 0.00 N ATOM 797 CA PRO A 49 9.183 6.757 -7.229 1.00 0.00 C ATOM 798 C PRO A 49 7.659 6.880 -7.276 1.00 0.00 C ATOM 799 O PRO A 49 6.970 6.444 -6.352 1.00 0.00 O ATOM 800 CB PRO A 49 9.811 8.077 -6.764 1.00 0.00 C ATOM 801 CG PRO A 49 10.241 8.761 -8.014 1.00 0.00 C ATOM 802 CD PRO A 49 10.628 7.674 -8.972 1.00 0.00 C ATOM 0 HA PRO A 49 9.367 5.914 -6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.093 8.682 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.657 7.899 -6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.435 9.371 -8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.081 9.429 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.429 7.959 -10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.690 7.439 -8.905 1.00 0.00 H new ATOM 810 N GLU A 50 7.142 7.474 -8.349 1.00 0.00 N ATOM 811 CA GLU A 50 5.702 7.649 -8.514 1.00 0.00 C ATOM 812 C GLU A 50 5.008 6.302 -8.707 1.00 0.00 C ATOM 813 O GLU A 50 3.910 6.081 -8.196 1.00 0.00 O ATOM 814 CB GLU A 50 5.413 8.560 -9.708 1.00 0.00 C ATOM 815 CG GLU A 50 5.708 10.030 -9.449 1.00 0.00 C ATOM 816 CD GLU A 50 5.423 10.897 -10.658 1.00 0.00 C ATOM 817 OE1 GLU A 50 6.341 11.086 -11.482 1.00 0.00 O ATOM 818 OE2 GLU A 50 4.280 11.386 -10.782 1.00 0.00 O ATOM 0 H GLU A 50 7.701 7.843 -9.119 1.00 0.00 H new ATOM 0 HA GLU A 50 5.311 8.112 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.006 8.225 -10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.365 8.454 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.108 10.376 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.754 10.143 -9.162 1.00 0.00 H new ATOM 825 N GLU A 51 5.658 5.407 -9.449 1.00 0.00 N ATOM 826 CA GLU A 51 5.109 4.080 -9.712 1.00 0.00 C ATOM 827 C GLU A 51 5.210 3.184 -8.477 1.00 0.00 C ATOM 828 O GLU A 51 4.363 2.320 -8.273 1.00 0.00 O ATOM 829 CB GLU A 51 5.820 3.426 -10.897 1.00 0.00 C ATOM 830 CG GLU A 51 4.924 2.518 -11.724 1.00 0.00 C ATOM 831 CD GLU A 51 5.289 2.522 -13.196 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.372 2.008 -13.541 1.00 0.00 O ATOM 833 OE2 GLU A 51 4.489 3.039 -14.003 1.00 0.00 O ATOM 0 H GLU A 51 6.567 5.578 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 51 4.054 4.202 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.225 4.206 -11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.666 2.847 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.991 1.500 -11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.887 2.835 -11.610 1.00 0.00 H new ATOM 840 N GLN A 52 6.259 3.383 -7.670 1.00 0.00 N ATOM 841 CA GLN A 52 6.458 2.596 -6.450 1.00 0.00 C ATOM 842 C GLN A 52 5.283 2.776 -5.493 1.00 0.00 C ATOM 843 O GLN A 52 4.703 1.799 -5.019 1.00 0.00 O ATOM 844 CB GLN A 52 7.764 3.001 -5.757 1.00 0.00 C ATOM 845 CG GLN A 52 9.010 2.585 -6.523 1.00 0.00 C ATOM 846 CD GLN A 52 9.881 1.608 -5.760 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.491 1.960 -4.752 1.00 0.00 O ATOM 848 NE2 GLN A 52 9.947 0.372 -6.242 1.00 0.00 N ATOM 0 H GLN A 52 6.982 4.082 -7.841 1.00 0.00 H new ATOM 0 HA GLN A 52 6.520 1.545 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.774 4.083 -5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.792 2.555 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.713 2.134 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.595 3.473 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.424 0.123 -7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.521 -0.329 -5.772 1.00 0.00 H new ATOM 857 N ALA A 53 4.935 4.034 -5.223 1.00 0.00 N ATOM 858 CA ALA A 53 3.823 4.352 -4.336 1.00 0.00 C ATOM 859 C ALA A 53 2.496 3.931 -4.957 1.00 0.00 C ATOM 860 O ALA A 53 1.582 3.504 -4.251 1.00 0.00 O ATOM 861 CB ALA A 53 3.813 5.836 -4.011 1.00 0.00 C ATOM 0 H ALA A 53 5.411 4.850 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 53 3.955 3.794 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.977 6.058 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.747 6.107 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.707 6.409 -4.932 1.00 0.00 H new ATOM 867 N LYS A 54 2.404 4.048 -6.283 1.00 0.00 N ATOM 868 CA LYS A 54 1.198 3.661 -7.012 1.00 0.00 C ATOM 869 C LYS A 54 0.980 2.156 -6.909 1.00 0.00 C ATOM 870 O LYS A 54 -0.154 1.685 -6.820 1.00 0.00 O ATOM 871 CB LYS A 54 1.316 4.067 -8.483 1.00 0.00 C ATOM 872 CG LYS A 54 -0.024 4.308 -9.157 1.00 0.00 C ATOM 873 CD LYS A 54 0.142 4.697 -10.617 1.00 0.00 C ATOM 874 CE LYS A 54 -1.206 4.940 -11.273 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.076 5.313 -12.709 1.00 0.00 N ATOM 0 H LYS A 54 3.153 4.409 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 54 0.345 4.175 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.917 4.973 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.851 3.287 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.633 3.407 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.560 5.097 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.753 5.597 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.672 3.907 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.817 4.041 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.730 5.733 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.021 5.469 -13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.516 6.185 -12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.600 4.546 -13.225 1.00 0.00 H new ATOM 889 N LYS A 55 2.086 1.414 -6.915 1.00 0.00 N ATOM 890 CA LYS A 55 2.052 -0.038 -6.814 1.00 0.00 C ATOM 891 C LYS A 55 1.651 -0.471 -5.416 1.00 0.00 C ATOM 892 O LYS A 55 1.067 -1.530 -5.240 1.00 0.00 O ATOM 893 CB LYS A 55 3.417 -0.630 -7.160 1.00 0.00 C ATOM 894 CG LYS A 55 3.661 -0.750 -8.653 1.00 0.00 C ATOM 895 CD LYS A 55 3.100 -2.050 -9.204 1.00 0.00 C ATOM 896 CE LYS A 55 3.330 -2.159 -10.699 1.00 0.00 C ATOM 897 NZ LYS A 55 4.745 -2.481 -11.017 1.00 0.00 N ATOM 0 H LYS A 55 3.026 1.803 -6.990 1.00 0.00 H new ATOM 0 HA LYS A 55 1.311 -0.406 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.197 -0.008 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.503 -1.617 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.201 0.094 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.731 -0.700 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.570 -2.894 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.032 -2.106 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.680 -2.931 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.054 -1.220 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.037 -1.960 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.352 -2.206 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.839 -3.503 -11.187 1.00 0.00 H new ATOM 911 N LEU A 56 1.963 0.361 -4.426 1.00 0.00 N ATOM 912 CA LEU A 56 1.633 0.056 -3.040 1.00 0.00 C ATOM 913 C LEU A 56 0.133 0.118 -2.811 1.00 0.00 C ATOM 914 O LEU A 56 -0.441 -0.770 -2.182 1.00 0.00 O ATOM 915 CB LEU A 56 2.333 1.021 -2.098 1.00 0.00 C ATOM 916 CG LEU A 56 2.542 0.488 -0.683 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.855 -0.270 -0.595 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.505 1.621 0.328 1.00 0.00 C ATOM 0 H LEU A 56 2.444 1.251 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 56 1.977 -0.957 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.303 1.282 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.751 1.941 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 56 1.730 -0.200 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.992 -0.645 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.839 -1.108 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.678 0.398 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.656 1.220 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.295 2.337 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.537 2.121 0.279 1.00 0.00 H new ATOM 930 N ILE A 57 -0.494 1.175 -3.315 1.00 0.00 N ATOM 931 CA ILE A 57 -1.932 1.339 -3.180 1.00 0.00 C ATOM 932 C ILE A 57 -2.656 0.260 -3.985 1.00 0.00 C ATOM 933 O ILE A 57 -3.721 -0.212 -3.595 1.00 0.00 O ATOM 934 CB ILE A 57 -2.387 2.740 -3.643 1.00 0.00 C ATOM 935 CG1 ILE A 57 -1.606 3.825 -2.899 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.880 2.925 -3.416 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.366 5.069 -3.724 1.00 0.00 C ATOM 0 H ILE A 57 -0.028 1.929 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.186 1.237 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.186 2.827 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.150 4.098 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.646 3.418 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.178 3.919 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.430 2.172 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.103 2.816 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.807 5.795 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.795 4.810 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.323 5.500 -4.019 1.00 0.00 H new ATOM 949 N ASP A 58 -2.044 -0.141 -5.099 1.00 0.00 N ATOM 950 CA ASP A 58 -2.603 -1.176 -5.963 1.00 0.00 C ATOM 951 C ASP A 58 -2.332 -2.562 -5.382 1.00 0.00 C ATOM 952 O ASP A 58 -2.971 -3.538 -5.761 1.00 0.00 O ATOM 953 CB ASP A 58 -2.002 -1.069 -7.368 1.00 0.00 C ATOM 954 CG ASP A 58 -2.900 -0.314 -8.326 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.763 0.924 -8.417 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.740 -0.960 -8.987 1.00 0.00 O ATOM 0 H ASP A 58 -1.155 0.239 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.681 -1.030 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.036 -0.568 -7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.819 -2.070 -7.759 1.00 0.00 H new ATOM 961 N PHE A 59 -1.373 -2.631 -4.461 1.00 0.00 N ATOM 962 CA PHE A 59 -1.008 -3.886 -3.810 1.00 0.00 C ATOM 963 C PHE A 59 -2.025 -4.265 -2.734 1.00 0.00 C ATOM 964 O PHE A 59 -2.339 -5.438 -2.551 1.00 0.00 O ATOM 965 CB PHE A 59 0.377 -3.756 -3.170 1.00 0.00 C ATOM 966 CG PHE A 59 1.424 -4.667 -3.746 1.00 0.00 C ATOM 967 CD1 PHE A 59 2.077 -4.341 -4.927 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.772 -5.839 -3.096 1.00 0.00 C ATOM 969 CE1 PHE A 59 3.052 -5.165 -5.448 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.745 -6.670 -3.614 1.00 0.00 C ATOM 971 CZ PHE A 59 3.388 -6.332 -4.790 1.00 0.00 C ATOM 0 H PHE A 59 -0.831 -1.826 -4.147 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.996 -4.668 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.715 -2.725 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.289 -3.956 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.818 -3.429 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.277 -6.106 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.551 -4.899 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.004 -7.584 -3.100 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.152 -6.980 -5.194 1.00 0.00 H new ATOM 981 N ILE A 60 -2.541 -3.260 -2.031 1.00 0.00 N ATOM 982 CA ILE A 60 -3.501 -3.490 -0.953 1.00 0.00 C ATOM 983 C ILE A 60 -4.957 -3.385 -1.417 1.00 0.00 C ATOM 984 O ILE A 60 -5.842 -4.003 -0.826 1.00 0.00 O ATOM 985 CB ILE A 60 -3.277 -2.503 0.219 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.118 -1.065 -0.289 1.00 0.00 C ATOM 987 CG2 ILE A 60 -2.051 -2.906 1.023 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.372 -0.229 -0.155 1.00 0.00 C ATOM 0 H ILE A 60 -2.311 -2.279 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.324 -4.512 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.156 -2.544 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.310 -0.582 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.820 -1.090 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.907 -2.203 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.193 -3.909 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.173 -2.896 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.182 0.775 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.178 -0.687 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.660 -0.171 0.895 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.205 -2.617 -2.475 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.567 -2.429 -2.976 1.00 0.00 C ATOM 1002 C LEU A 61 -6.983 -3.526 -3.955 1.00 0.00 C ATOM 1003 O LEU A 61 -8.153 -3.618 -4.327 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.709 -1.064 -3.647 1.00 0.00 C ATOM 1005 CG LEU A 61 -8.097 -0.429 -3.531 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.288 0.182 -2.153 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.295 0.618 -4.614 1.00 0.00 C ATOM 0 H LEU A 61 -4.487 -2.117 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.229 -2.484 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.977 -0.384 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.460 -1.167 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.847 -1.208 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.280 0.629 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.189 -0.594 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.532 0.950 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.287 1.059 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.540 1.397 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.201 0.150 -5.594 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.033 -4.360 -4.362 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.322 -5.427 -5.313 1.00 0.00 C ATOM 1021 C LYS A 62 -6.614 -6.752 -4.624 1.00 0.00 C ATOM 1022 O LYS A 62 -7.207 -7.649 -5.221 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.154 -5.598 -6.275 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.587 -5.936 -7.686 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.398 -6.032 -8.622 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.835 -6.399 -10.028 1.00 0.00 C ATOM 1027 NZ LYS A 62 -5.449 -5.241 -10.733 1.00 0.00 N ATOM 0 H LYS A 62 -5.062 -4.319 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.218 -5.136 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.568 -4.679 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.499 -6.386 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.129 -6.882 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.277 -5.174 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.868 -5.080 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.698 -6.779 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.975 -6.756 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.551 -7.220 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.735 -5.529 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.284 -4.916 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.757 -4.467 -10.797 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.203 -6.878 -3.369 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.419 -8.113 -2.633 1.00 0.00 C ATOM 1043 C LEU A 63 -7.715 -8.069 -1.830 1.00 0.00 C ATOM 1044 O LEU A 63 -8.389 -7.038 -1.762 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.229 -8.402 -1.724 1.00 0.00 C ATOM 1046 CG LEU A 63 -3.965 -8.853 -2.457 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -2.728 -8.498 -1.655 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.009 -10.348 -2.734 1.00 0.00 C ATOM 0 H LEU A 63 -5.723 -6.147 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.512 -8.922 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.000 -7.504 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.514 -9.174 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.919 -8.329 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.839 -8.827 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.686 -7.419 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.769 -8.993 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.100 -10.648 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.082 -10.891 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.876 -10.578 -3.353 1.00 0.00 H new ATOM 1060 N SER A 64 -8.051 -9.202 -1.225 1.00 0.00 N ATOM 1061 CA SER A 64 -9.272 -9.336 -0.438 1.00 0.00 C ATOM 1062 C SER A 64 -9.161 -8.624 0.917 1.00 0.00 C ATOM 1063 O SER A 64 -8.066 -8.278 1.359 1.00 0.00 O ATOM 1064 CB SER A 64 -9.582 -10.822 -0.233 1.00 0.00 C ATOM 1065 OG SER A 64 -9.758 -11.480 -1.478 1.00 0.00 O ATOM 0 H SER A 64 -7.487 -10.051 -1.265 1.00 0.00 H new ATOM 0 HA SER A 64 -10.085 -8.860 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.770 -11.294 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.484 -10.930 0.370 1.00 0.00 H new ATOM 0 HG SER A 64 -9.953 -12.428 -1.322 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.311 -8.378 1.581 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.356 -7.715 2.897 1.00 0.00 C ATOM 1073 C PRO A 65 -9.547 -8.447 3.978 1.00 0.00 C ATOM 1074 O PRO A 65 -9.083 -7.830 4.936 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.847 -7.721 3.248 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.551 -7.854 1.942 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.663 -8.697 1.084 1.00 0.00 C ATOM 0 HA PRO A 65 -9.911 -6.721 2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.092 -8.548 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.135 -6.803 3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.528 -8.320 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.721 -6.878 1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.891 -9.758 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.772 -8.451 0.028 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.393 -9.762 3.828 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.635 -10.565 4.786 1.00 0.00 C ATOM 1087 C ALA A 66 -7.132 -10.322 4.640 1.00 0.00 C ATOM 1088 O ALA A 66 -6.361 -10.553 5.572 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.954 -12.040 4.594 1.00 0.00 C ATOM 0 H ALA A 66 -9.784 -10.294 3.051 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.927 -10.265 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.385 -12.632 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.020 -12.205 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.686 -12.341 3.581 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.731 -9.847 3.461 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.327 -9.567 3.166 1.00 0.00 C ATOM 1097 C ASP A 67 -4.854 -8.280 3.846 1.00 0.00 C ATOM 1098 O ASP A 67 -3.743 -8.224 4.376 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.130 -9.458 1.653 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.133 -10.812 0.973 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.056 -11.436 0.886 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.216 -11.249 0.528 1.00 0.00 O ATOM 0 H ASP A 67 -7.366 -9.647 2.688 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.730 -10.390 3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.921 -8.840 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.186 -8.953 1.447 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.704 -7.252 3.834 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.363 -5.966 4.442 1.00 0.00 C ATOM 1109 C VAL A 68 -5.414 -6.025 5.968 1.00 0.00 C ATOM 1110 O VAL A 68 -4.676 -5.306 6.635 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.268 -4.807 3.953 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.831 -4.321 2.580 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.736 -5.209 3.934 1.00 0.00 C ATOM 0 H VAL A 68 -6.631 -7.285 3.411 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.342 -5.762 4.121 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.158 -3.987 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.481 -3.508 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.802 -3.965 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.896 -5.142 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.338 -4.370 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.872 -6.057 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.050 -5.488 4.940 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.300 -6.870 6.510 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.466 -7.016 7.963 1.00 0.00 C ATOM 1125 C GLN A 69 -5.135 -7.249 8.685 1.00 0.00 C ATOM 1126 O GLN A 69 -4.870 -6.642 9.722 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.429 -8.165 8.274 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.197 -7.975 9.572 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.372 -7.030 9.416 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.461 -7.437 9.014 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -9.156 -5.759 9.732 1.00 0.00 N ATOM 0 H GLN A 69 -6.917 -7.467 5.960 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.879 -6.076 8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.138 -8.267 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.866 -9.097 8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.556 -8.942 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.523 -7.589 10.337 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.237 -5.465 10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.909 -5.077 9.645 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.305 -8.126 8.128 1.00 0.00 N ATOM 1141 CA ALA A 70 -3.008 -8.449 8.712 1.00 0.00 C ATOM 1142 C ALA A 70 -2.021 -7.296 8.544 1.00 0.00 C ATOM 1143 O ALA A 70 -1.153 -7.080 9.391 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.460 -9.720 8.081 1.00 0.00 C ATOM 0 H ALA A 70 -4.511 -8.629 7.265 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.144 -8.612 9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.491 -9.956 8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.151 -10.543 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.344 -9.573 7.007 1.00 0.00 H new ATOM 1150 N ARG A 71 -2.167 -6.557 7.444 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.292 -5.425 7.150 1.00 0.00 C ATOM 1152 C ARG A 71 -1.611 -4.229 8.043 1.00 0.00 C ATOM 1153 O ARG A 71 -0.738 -3.415 8.334 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.415 -5.036 5.678 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.661 -5.971 4.746 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.780 -5.531 3.297 1.00 0.00 C ATOM 1157 NE ARG A 71 -2.081 -5.871 2.733 1.00 0.00 N ATOM 1158 CZ ARG A 71 -2.259 -6.364 1.510 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -1.218 -6.583 0.716 1.00 0.00 N ATOM 1160 NH2 ARG A 71 -3.480 -6.638 1.078 1.00 0.00 N ATOM 0 H ARG A 71 -2.886 -6.724 6.740 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.266 -5.729 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.468 -5.027 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.041 -4.021 5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.390 -6.002 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.050 -6.984 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.625 -4.454 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.006 -6.003 2.708 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.907 -5.721 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.275 -6.373 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.361 -6.961 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.284 -6.471 1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.616 -7.016 0.140 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.870 -4.120 8.466 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.290 -3.032 9.344 1.00 0.00 C ATOM 1176 C ILE A 72 -2.699 -3.237 10.740 1.00 0.00 C ATOM 1177 O ILE A 72 -2.377 -2.274 11.441 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.836 -2.933 9.431 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.427 -2.580 8.066 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.267 -1.899 10.465 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.803 -3.165 7.831 1.00 0.00 C ATOM 0 H ILE A 72 -3.614 -4.771 8.215 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.920 -2.097 8.923 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.213 -3.907 9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.482 -1.495 7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.753 -2.933 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.355 -1.853 10.502 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.882 -2.182 11.445 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.872 -0.921 10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.159 -2.873 6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.751 -4.252 7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.491 -2.792 8.589 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.541 -4.508 11.122 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.981 -4.864 12.426 1.00 0.00 C ATOM 1195 C ASN A 73 -0.480 -4.570 12.486 1.00 0.00 C ATOM 1196 O ASN A 73 0.019 -4.065 13.492 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.228 -6.346 12.724 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.572 -6.595 13.383 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.710 -6.475 14.600 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.570 -6.945 12.581 1.00 0.00 N ATOM 0 H ASN A 73 -2.795 -5.309 10.543 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.481 -4.255 13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.173 -6.913 11.795 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.435 -6.719 13.373 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.496 -7.126 12.968 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.411 -7.033 11.577 1.00 0.00 H new ATOM 1207 N VAL A 74 0.232 -4.892 11.404 1.00 0.00 N ATOM 1208 CA VAL A 74 1.675 -4.664 11.334 1.00 0.00 C ATOM 1209 C VAL A 74 1.995 -3.171 11.195 1.00 0.00 C ATOM 1210 O VAL A 74 2.978 -2.686 11.755 1.00 0.00 O ATOM 1211 CB VAL A 74 2.328 -5.470 10.177 1.00 0.00 C ATOM 1212 CG1 VAL A 74 1.971 -4.896 8.815 1.00 0.00 C ATOM 1213 CG2 VAL A 74 3.838 -5.534 10.343 1.00 0.00 C ATOM 0 H VAL A 74 -0.168 -5.311 10.565 1.00 0.00 H new ATOM 0 HA VAL A 74 2.101 -5.020 12.272 1.00 0.00 H new ATOM 0 HB VAL A 74 1.927 -6.482 10.227 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.448 -5.489 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.890 -4.922 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.320 -3.865 8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.271 -6.104 9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.248 -4.524 10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.080 -6.021 11.288 1.00 0.00 H new ATOM 1223 N LEU A 75 1.149 -2.448 10.461 1.00 0.00 N ATOM 1224 CA LEU A 75 1.336 -1.014 10.241 1.00 0.00 C ATOM 1225 C LEU A 75 1.169 -0.222 11.531 1.00 0.00 C ATOM 1226 O LEU A 75 1.860 0.772 11.750 1.00 0.00 O ATOM 1227 CB LEU A 75 0.335 -0.520 9.195 1.00 0.00 C ATOM 1228 CG LEU A 75 0.859 0.557 8.249 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.914 -0.017 7.319 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.279 1.162 7.448 1.00 0.00 C ATOM 0 H LEU A 75 0.322 -2.835 10.006 1.00 0.00 H new ATOM 0 HA LEU A 75 2.354 -0.857 9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.004 -1.372 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.543 -0.131 9.711 1.00 0.00 H new ATOM 0 HG LEU A 75 1.317 1.344 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.276 0.766 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.745 -0.405 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.479 -0.824 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.114 1.928 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.766 0.383 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.004 1.611 8.127 1.00 0.00 H new ATOM 1242 N ARG A 76 0.263 -0.679 12.385 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.015 -0.015 13.647 1.00 0.00 C ATOM 1244 C ARG A 76 1.147 -0.121 14.637 1.00 0.00 C ATOM 1245 O ARG A 76 1.436 0.829 15.365 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.278 -0.614 14.261 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.110 0.393 15.025 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.131 1.065 14.124 1.00 0.00 C ATOM 1249 NE ARG A 76 -3.987 1.989 14.863 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.884 2.786 14.289 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.040 2.773 12.971 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.629 3.593 15.032 1.00 0.00 N ATOM 0 H ARG A 76 -0.296 -1.516 12.222 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.158 1.045 13.439 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.886 -1.051 13.469 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.997 -1.426 14.932 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.621 -0.105 15.849 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.458 1.148 15.465 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.615 1.605 13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.747 0.305 13.644 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.892 2.025 15.878 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.471 2.151 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.728 3.385 12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.515 3.603 16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.316 4.203 14.590 1.00 0.00 H new ATOM 1266 N ALA A 77 1.821 -1.267 14.657 1.00 0.00 N ATOM 1267 CA ALA A 77 2.925 -1.484 15.589 1.00 0.00 C ATOM 1268 C ALA A 77 4.273 -0.989 15.059 1.00 0.00 C ATOM 1269 O ALA A 77 5.193 -0.752 15.841 1.00 0.00 O ATOM 1270 CB ALA A 77 3.013 -2.957 15.955 1.00 0.00 C ATOM 0 H ALA A 77 1.624 -2.057 14.042 1.00 0.00 H new ATOM 0 HA ALA A 77 2.707 -0.891 16.477 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.838 -3.111 16.650 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.081 -3.272 16.424 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.183 -3.546 15.054 1.00 0.00 H new ATOM 1276 N HIS A 78 4.394 -0.824 13.742 1.00 0.00 N ATOM 1277 CA HIS A 78 5.658 -0.376 13.146 1.00 0.00 C ATOM 1278 C HIS A 78 5.819 1.147 13.186 1.00 0.00 C ATOM 1279 O HIS A 78 6.853 1.674 12.774 1.00 0.00 O ATOM 1280 CB HIS A 78 5.783 -0.884 11.707 1.00 0.00 C ATOM 1281 CG HIS A 78 6.459 -2.221 11.612 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.706 -2.401 11.050 1.00 0.00 N ATOM 1283 CD2 HIS A 78 6.059 -3.448 12.030 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.043 -3.678 11.127 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.060 -4.331 11.715 1.00 0.00 N ATOM 0 H HIS A 78 3.643 -0.991 13.072 1.00 0.00 H new ATOM 0 HA HIS A 78 6.460 -0.801 13.750 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.789 -0.954 11.265 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.343 -0.157 11.119 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.126 -3.685 12.520 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.965 -4.111 10.769 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.046 -5.333 11.905 1.00 0.00 H new ATOM 1294 N GLY A 79 4.805 1.851 13.684 1.00 0.00 N ATOM 1295 CA GLY A 79 4.883 3.301 13.772 1.00 0.00 C ATOM 1296 C GLY A 79 4.172 4.005 12.632 1.00 0.00 C ATOM 1297 O GLY A 79 4.120 5.235 12.594 1.00 0.00 O ATOM 0 H GLY A 79 3.934 1.446 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.450 3.625 14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.930 3.603 13.781 1.00 0.00 H new ATOM 1301 N TYR A 80 3.621 3.227 11.705 1.00 0.00 N ATOM 1302 CA TYR A 80 2.908 3.780 10.557 1.00 0.00 C ATOM 1303 C TYR A 80 1.402 3.809 10.837 1.00 0.00 C ATOM 1304 O TYR A 80 0.584 3.445 9.993 1.00 0.00 O ATOM 1305 CB TYR A 80 3.224 2.959 9.302 1.00 0.00 C ATOM 1306 CG TYR A 80 4.667 3.068 8.858 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.649 2.257 9.415 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.050 3.984 7.884 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.966 2.355 9.015 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.368 4.086 7.478 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.320 3.271 8.048 1.00 0.00 C ATOM 1312 OH TYR A 80 8.633 3.368 7.651 1.00 0.00 O ATOM 0 H TYR A 80 3.655 2.208 11.726 1.00 0.00 H new ATOM 0 HA TYR A 80 3.238 4.805 10.385 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.989 1.912 9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.576 3.288 8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.377 1.538 10.174 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.306 4.626 7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.716 1.717 9.458 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.649 4.801 6.718 1.00 0.00 H new ATOM 0 HH TYR A 80 8.716 4.060 6.962 1.00 0.00 H new ATOM 1322 N GLN A 81 1.070 4.252 12.046 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.314 4.349 12.521 1.00 0.00 C ATOM 1324 C GLN A 81 -1.151 5.324 11.693 1.00 0.00 C ATOM 1325 O GLN A 81 -2.311 5.045 11.393 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.329 4.785 13.987 1.00 0.00 C ATOM 1327 CG GLN A 81 0.248 3.753 14.941 1.00 0.00 C ATOM 1328 CD GLN A 81 0.256 4.230 16.379 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.712 4.040 17.114 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.354 4.853 16.790 1.00 0.00 N ATOM 0 H GLN A 81 1.759 4.558 12.734 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.760 3.360 12.414 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.235 5.713 14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.356 5.003 14.281 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.333 2.833 14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.266 3.511 14.636 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.134 4.989 16.147 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.418 5.195 17.749 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.559 6.469 11.338 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.252 7.486 10.541 1.00 0.00 C ATOM 1341 C ALA A 82 -1.676 6.923 9.188 1.00 0.00 C ATOM 1342 O ALA A 82 -2.712 7.298 8.638 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.357 8.703 10.355 1.00 0.00 C ATOM 0 H ALA A 82 0.398 6.715 11.590 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.152 7.789 11.076 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.881 9.453 9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.106 9.122 11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.557 8.407 9.841 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.856 6.017 8.666 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.115 5.367 7.390 1.00 0.00 C ATOM 1351 C LEU A 83 -2.238 4.338 7.525 1.00 0.00 C ATOM 1352 O LEU A 83 -3.074 4.192 6.631 1.00 0.00 O ATOM 1353 CB LEU A 83 0.162 4.677 6.901 1.00 0.00 C ATOM 1354 CG LEU A 83 1.181 5.585 6.205 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.009 6.351 7.227 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.088 4.765 5.304 1.00 0.00 C ATOM 0 H LEU A 83 0.007 5.714 9.117 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.425 6.123 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.647 4.204 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.118 3.880 6.212 1.00 0.00 H new ATOM 0 HG LEU A 83 0.636 6.306 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.726 6.989 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.351 6.967 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.544 5.646 7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.807 5.423 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.621 4.024 5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.488 4.258 4.548 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.254 3.645 8.667 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.245 2.606 8.944 1.00 0.00 C ATOM 1370 C ALA A 84 -4.644 3.182 9.163 1.00 0.00 C ATOM 1371 O ALA A 84 -5.634 2.465 9.043 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.815 1.789 10.157 1.00 0.00 C ATOM 0 H ALA A 84 -1.583 3.789 9.421 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.297 1.961 8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.558 1.017 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.851 1.322 9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.729 2.443 11.024 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.721 4.471 9.481 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.006 5.128 9.712 1.00 0.00 C ATOM 1380 C ASP A 85 -6.622 5.631 8.406 1.00 0.00 C ATOM 1381 O ASP A 85 -7.844 5.755 8.293 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.830 6.295 10.686 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.063 6.527 11.538 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.220 5.821 12.557 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.873 7.411 11.186 1.00 0.00 O ATOM 0 H ASP A 85 -3.911 5.082 9.585 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.684 4.392 10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.976 6.099 11.334 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.603 7.202 10.125 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.772 5.910 7.422 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.229 6.415 6.130 1.00 0.00 C ATOM 1392 C LYS A 86 -6.827 5.309 5.260 1.00 0.00 C ATOM 1393 O LYS A 86 -7.910 5.477 4.699 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.073 7.095 5.392 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.701 8.450 5.973 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.551 9.089 5.211 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.164 10.433 5.808 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.035 11.065 5.070 1.00 0.00 N ATOM 0 H LYS A 86 -4.761 5.795 7.494 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.017 7.143 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.200 6.443 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.344 7.219 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.568 9.109 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.424 8.334 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.689 8.422 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.834 9.222 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.027 11.099 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.885 10.299 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.802 11.979 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.204 10.441 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.310 11.217 4.079 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.125 4.183 5.151 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.598 3.068 4.331 1.00 0.00 C ATOM 1414 C LEU A 87 -7.765 2.326 4.989 1.00 0.00 C ATOM 1415 O LEU A 87 -8.572 1.712 4.297 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.454 2.087 4.028 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.602 1.663 5.228 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.107 0.351 5.808 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.144 1.532 4.821 1.00 0.00 C ATOM 0 H LEU A 87 -5.232 4.018 5.616 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.959 3.493 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.879 1.192 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.799 2.541 3.284 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.684 2.433 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.488 0.067 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.140 0.471 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.055 -0.427 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.551 1.230 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.051 0.781 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.782 2.491 4.450 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.848 2.384 6.319 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.916 1.706 7.056 1.00 0.00 C ATOM 1433 C ASN A 88 -10.273 2.360 6.812 1.00 0.00 C ATOM 1434 O ASN A 88 -11.288 1.672 6.682 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.611 1.707 8.554 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.213 0.511 9.266 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.340 0.567 9.758 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.461 -0.578 9.327 1.00 0.00 N ATOM 0 H ASN A 88 -7.189 2.893 6.908 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.962 0.680 6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.531 1.709 8.702 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.996 2.624 9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.811 -1.414 9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.532 -0.581 8.905 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.286 3.688 6.747 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.523 4.430 6.534 1.00 0.00 C ATOM 1447 C LYS A 89 -11.990 4.333 5.085 1.00 0.00 C ATOM 1448 O LYS A 89 -13.181 4.173 4.821 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.342 5.894 6.932 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.621 6.548 7.425 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.423 8.024 7.719 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.734 8.688 8.100 1.00 0.00 C ATOM 1453 NZ LYS A 89 -14.129 8.371 9.500 1.00 0.00 N ATOM 0 H LYS A 89 -9.454 4.271 6.839 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.290 3.982 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.585 5.959 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.965 6.452 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.403 6.429 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.964 6.041 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.703 8.143 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.003 8.519 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.641 9.768 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.519 8.361 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.029 8.843 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.242 7.342 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.392 8.706 10.153 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.045 4.433 4.152 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.355 4.345 2.726 1.00 0.00 C ATOM 1469 C TYR A 90 -11.831 2.940 2.368 1.00 0.00 C ATOM 1470 O TYR A 90 -12.581 2.746 1.413 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.123 4.705 1.897 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.454 5.213 0.515 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.820 6.536 0.310 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.404 4.366 -0.585 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.127 7.002 -0.953 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -10.710 4.824 -1.850 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.073 6.143 -2.028 1.00 0.00 C ATOM 1478 OH TYR A 90 -11.380 6.605 -3.285 1.00 0.00 O ATOM 0 H TYR A 90 -10.056 4.575 4.358 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.154 5.052 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.548 5.465 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.485 3.826 1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.865 7.212 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.121 3.333 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.408 8.035 -1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.666 4.154 -2.696 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.292 5.875 -3.932 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.380 1.972 3.153 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.729 0.572 2.958 1.00 0.00 C ATOM 1490 C LEU A 91 -13.218 0.322 3.209 1.00 0.00 C ATOM 1491 O LEU A 91 -13.848 -0.472 2.511 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.885 -0.276 3.901 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.205 -1.763 3.922 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.360 -2.500 2.893 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.970 -2.314 5.316 1.00 0.00 C ATOM 0 H LEU A 91 -10.760 2.136 3.946 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.527 0.299 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.837 -0.153 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -11.000 0.115 4.912 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.253 -1.911 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.600 -3.563 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.571 -2.105 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.304 -2.361 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.200 -3.379 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.927 -2.164 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.614 -1.795 6.026 1.00 0.00 H new ATOM 1507 N THR A 92 -13.770 1.002 4.210 1.00 0.00 N ATOM 1508 CA THR A 92 -15.180 0.851 4.559 1.00 0.00 C ATOM 1509 C THR A 92 -16.033 1.975 3.967 1.00 0.00 C ATOM 1510 O THR A 92 -17.184 2.168 4.368 1.00 0.00 O ATOM 1511 CB THR A 92 -15.383 0.805 6.088 1.00 0.00 C ATOM 1512 OG1 THR A 92 -14.234 0.219 6.719 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.629 0.002 6.442 1.00 0.00 C ATOM 0 H THR A 92 -13.261 1.665 4.795 1.00 0.00 H new ATOM 0 HA THR A 92 -15.504 -0.097 4.131 1.00 0.00 H new ATOM 0 HB THR A 92 -15.512 1.826 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.370 0.195 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.754 -0.018 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.503 0.466 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.523 -1.017 6.070 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.458 2.722 3.021 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.164 3.828 2.370 1.00 0.00 C ATOM 1523 C LEU A 93 -17.499 3.369 1.785 1.00 0.00 C ATOM 1524 O LEU A 93 -18.499 4.084 1.864 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.302 4.434 1.261 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.631 5.884 0.907 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.939 6.837 1.866 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.230 6.185 -0.529 1.00 0.00 C ATOM 0 H LEU A 93 -14.504 2.580 2.689 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.361 4.584 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.256 4.378 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.408 3.824 0.364 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.708 6.026 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.185 7.865 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.275 6.637 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.860 6.695 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.471 7.222 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.158 6.026 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.773 5.524 -1.205 1.00 0.00 H new