USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 450 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 51 GLN :FLIP amide:sc= 0.495 F(o=-0.36,f=0.56) USER MOD Set 1.2: A 69 ASN :FLIP amide:sc= 0.0685 F(o=-0.36,f=0.56) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 61:sc= 0.927 USER MOD Single : A 31 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.83) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 55:sc= 0.734 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.0404 (180deg=-0.327) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc=-0.00424 F(o=-0.61,f=-0.0042) USER MOD Single : A 70 GLN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.648 K(o=0.65,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 7.731 1.737 -0.343 1.00 0.00 N ATOM 109 CA ILE A 21 6.332 1.466 -0.618 1.00 0.00 C ATOM 110 C ILE A 21 5.564 1.234 0.688 1.00 0.00 C ATOM 111 O ILE A 21 4.585 1.932 0.924 1.00 0.00 O ATOM 112 CB ILE A 21 6.171 0.322 -1.631 1.00 0.00 C ATOM 113 CG1 ILE A 21 6.948 0.577 -2.948 1.00 0.00 C ATOM 114 CG2 ILE A 21 4.669 0.215 -1.919 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.020 -0.635 -3.887 1.00 0.00 C ATOM 0 HA ILE A 21 5.889 2.343 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 21 6.581 -0.599 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.478 1.405 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.962 0.891 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.492 -0.586 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.136 -0.003 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.310 1.158 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.581 -0.368 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.519 -1.460 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.011 -0.939 -4.167 1.00 0.00 H new ATOM 127 N LEU A 22 5.971 0.292 1.552 1.00 0.00 N ATOM 128 CA LEU A 22 5.364 0.023 2.852 1.00 0.00 C ATOM 129 C LEU A 22 5.093 1.282 3.663 1.00 0.00 C ATOM 130 O LEU A 22 4.053 1.364 4.318 1.00 0.00 O ATOM 131 CB LEU A 22 6.324 -0.892 3.627 1.00 0.00 C ATOM 132 CG LEU A 22 5.913 -2.359 3.525 1.00 0.00 C ATOM 133 CD1 LEU A 22 5.690 -2.895 2.108 1.00 0.00 C ATOM 134 CD2 LEU A 22 6.942 -3.218 4.260 1.00 0.00 C ATOM 0 H LEU A 22 6.760 -0.322 1.352 1.00 0.00 H new ATOM 0 HA LEU A 22 4.393 -0.445 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.335 -0.770 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.346 -0.592 4.675 1.00 0.00 H new ATOM 0 HG LEU A 22 4.930 -2.419 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.402 -3.945 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.898 -2.324 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.611 -2.798 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.655 -4.267 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.923 -3.079 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.982 -2.920 5.308 1.00 0.00 H new ATOM 146 N SER A 23 6.028 2.224 3.587 1.00 0.00 N ATOM 147 CA SER A 23 5.966 3.526 4.236 1.00 0.00 C ATOM 148 C SER A 23 4.728 4.291 3.728 1.00 0.00 C ATOM 149 O SER A 23 3.875 4.705 4.512 1.00 0.00 O ATOM 150 CB SER A 23 7.306 4.240 3.965 1.00 0.00 C ATOM 151 OG SER A 23 7.611 5.275 4.881 1.00 0.00 O ATOM 0 H SER A 23 6.885 2.094 3.049 1.00 0.00 H new ATOM 0 HA SER A 23 5.843 3.452 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.108 3.502 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.285 4.657 2.958 1.00 0.00 H new ATOM 0 HG SER A 23 8.473 5.677 4.645 1.00 0.00 H new ATOM 157 N GLY A 24 4.571 4.427 2.406 1.00 0.00 N ATOM 158 CA GLY A 24 3.428 5.112 1.815 1.00 0.00 C ATOM 159 C GLY A 24 2.120 4.328 1.958 1.00 0.00 C ATOM 160 O GLY A 24 1.051 4.933 2.073 1.00 0.00 O ATOM 0 H GLY A 24 5.234 4.064 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.313 6.088 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.625 5.290 0.758 1.00 0.00 H new ATOM 164 N ILE A 25 2.160 2.992 1.936 1.00 0.00 N ATOM 165 CA ILE A 25 0.962 2.167 2.077 1.00 0.00 C ATOM 166 C ILE A 25 0.331 2.426 3.428 1.00 0.00 C ATOM 167 O ILE A 25 -0.888 2.555 3.477 1.00 0.00 O ATOM 168 CB ILE A 25 1.254 0.668 1.873 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.529 0.463 0.376 1.00 0.00 C ATOM 170 CG2 ILE A 25 0.066 -0.230 2.282 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.786 -0.988 -0.012 1.00 0.00 C ATOM 0 H ILE A 25 3.021 2.457 1.820 1.00 0.00 H new ATOM 0 HA ILE A 25 0.261 2.448 1.291 1.00 0.00 H new ATOM 0 HB ILE A 25 2.101 0.388 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.678 0.836 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.392 1.064 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.327 -1.276 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.162 -0.074 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.807 0.025 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.972 -1.050 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.656 -1.361 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.915 -1.592 0.241 1.00 0.00 H new ATOM 183 N GLU A 26 1.129 2.502 4.489 1.00 0.00 N ATOM 184 CA GLU A 26 0.632 2.837 5.814 1.00 0.00 C ATOM 185 C GLU A 26 -0.170 4.141 5.761 1.00 0.00 C ATOM 186 O GLU A 26 -1.344 4.159 6.148 1.00 0.00 O ATOM 187 CB GLU A 26 1.804 2.906 6.796 1.00 0.00 C ATOM 188 CG GLU A 26 1.271 3.053 8.225 1.00 0.00 C ATOM 189 CD GLU A 26 2.381 3.092 9.270 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.456 2.484 9.053 1.00 0.00 O ATOM 191 OE2 GLU A 26 2.161 3.736 10.320 1.00 0.00 O ATOM 0 H GLU A 26 2.134 2.333 4.452 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.048 2.062 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.412 2.005 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.449 3.749 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.680 3.966 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.601 2.222 8.445 1.00 0.00 H new ATOM 198 N GLU A 27 0.437 5.195 5.204 1.00 0.00 N ATOM 199 CA GLU A 27 -0.188 6.505 5.030 1.00 0.00 C ATOM 200 C GLU A 27 -1.492 6.407 4.214 1.00 0.00 C ATOM 201 O GLU A 27 -2.439 7.161 4.469 1.00 0.00 O ATOM 202 CB GLU A 27 0.811 7.469 4.361 1.00 0.00 C ATOM 203 CG GLU A 27 1.701 8.223 5.363 1.00 0.00 C ATOM 204 CD GLU A 27 2.781 9.105 4.702 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.596 9.539 3.541 1.00 0.00 O ATOM 206 OE2 GLU A 27 3.797 9.414 5.368 1.00 0.00 O ATOM 0 H GLU A 27 1.395 5.157 4.856 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.455 6.894 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.445 6.905 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.259 8.193 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.070 8.850 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.187 7.500 6.017 1.00 0.00 H new ATOM 213 N THR A 28 -1.568 5.472 3.258 1.00 0.00 N ATOM 214 CA THR A 28 -2.764 5.221 2.469 1.00 0.00 C ATOM 215 C THR A 28 -3.809 4.511 3.337 1.00 0.00 C ATOM 216 O THR A 28 -4.905 5.033 3.497 1.00 0.00 O ATOM 217 CB THR A 28 -2.443 4.405 1.201 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.219 4.778 0.598 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.540 4.546 0.136 1.00 0.00 C ATOM 0 H THR A 28 -0.786 4.865 3.014 1.00 0.00 H new ATOM 0 HA THR A 28 -3.170 6.176 2.136 1.00 0.00 H new ATOM 0 HB THR A 28 -2.376 3.374 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.485 4.631 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.274 3.955 -0.741 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.487 4.189 0.540 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.638 5.594 -0.149 1.00 0.00 H new ATOM 227 N PHE A 29 -3.504 3.342 3.912 1.00 0.00 N ATOM 228 CA PHE A 29 -4.423 2.526 4.703 1.00 0.00 C ATOM 229 C PHE A 29 -5.034 3.397 5.806 1.00 0.00 C ATOM 230 O PHE A 29 -6.250 3.380 5.999 1.00 0.00 O ATOM 231 CB PHE A 29 -3.683 1.289 5.277 1.00 0.00 C ATOM 232 CG PHE A 29 -3.609 0.038 4.393 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.309 0.126 3.022 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.826 -1.245 4.941 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.273 -1.030 2.216 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.738 -2.406 4.141 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.443 -2.313 2.767 1.00 0.00 C ATOM 0 H PHE A 29 -2.576 2.926 3.834 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.231 2.149 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.664 1.589 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.167 1.012 6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.104 1.090 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.063 -1.340 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.111 -0.928 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.899 -3.376 4.588 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.350 -3.199 2.156 1.00 0.00 H new ATOM 247 N ALA A 30 -4.223 4.211 6.485 1.00 0.00 N ATOM 248 CA ALA A 30 -4.690 5.077 7.554 1.00 0.00 C ATOM 249 C ALA A 30 -5.644 6.182 7.079 1.00 0.00 C ATOM 250 O ALA A 30 -6.577 6.522 7.810 1.00 0.00 O ATOM 251 CB ALA A 30 -3.484 5.669 8.271 1.00 0.00 C ATOM 0 H ALA A 30 -3.222 4.284 6.303 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.277 4.466 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.823 6.321 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.877 4.865 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.887 6.245 7.564 1.00 0.00 H new ATOM 257 N GLN A 31 -5.495 6.707 5.859 1.00 0.00 N ATOM 258 CA GLN A 31 -6.446 7.660 5.280 1.00 0.00 C ATOM 259 C GLN A 31 -7.827 7.031 5.059 1.00 0.00 C ATOM 260 O GLN A 31 -8.804 7.750 4.889 1.00 0.00 O ATOM 261 CB GLN A 31 -5.880 8.227 3.965 1.00 0.00 C ATOM 262 CG GLN A 31 -5.439 9.685 4.153 1.00 0.00 C ATOM 263 CD GLN A 31 -4.634 10.249 2.984 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.161 10.952 2.121 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.344 9.947 2.933 1.00 0.00 N ATOM 0 H GLN A 31 -4.712 6.483 5.245 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.583 8.475 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.033 7.624 3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.636 8.168 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.323 10.304 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.840 9.758 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.928 9.363 3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.768 10.299 2.168 1.00 0.00 H new ATOM 274 N PHE A 32 -7.927 5.704 5.105 1.00 0.00 N ATOM 275 CA PHE A 32 -9.161 4.944 4.974 1.00 0.00 C ATOM 276 C PHE A 32 -9.506 4.223 6.291 1.00 0.00 C ATOM 277 O PHE A 32 -10.404 3.384 6.322 1.00 0.00 O ATOM 278 CB PHE A 32 -8.999 4.002 3.775 1.00 0.00 C ATOM 279 CG PHE A 32 -9.007 4.690 2.422 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.835 5.234 1.867 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.203 4.759 1.694 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.861 5.802 0.585 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.229 5.304 0.398 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.051 5.828 -0.156 1.00 0.00 C ATOM 0 H PHE A 32 -7.112 5.106 5.241 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.012 5.597 4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.062 3.455 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.802 3.266 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.913 5.214 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.117 4.389 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.959 6.222 0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.149 5.319 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.061 6.250 -1.150 1.00 0.00 H new ATOM 294 N SER A 33 -8.807 4.544 7.390 1.00 0.00 N ATOM 295 CA SER A 33 -8.973 3.946 8.718 1.00 0.00 C ATOM 296 C SER A 33 -8.710 2.430 8.727 1.00 0.00 C ATOM 297 O SER A 33 -9.167 1.708 9.627 1.00 0.00 O ATOM 298 CB SER A 33 -10.358 4.317 9.272 1.00 0.00 C ATOM 299 OG SER A 33 -10.265 4.727 10.624 1.00 0.00 O ATOM 0 H SER A 33 -8.080 5.259 7.374 1.00 0.00 H new ATOM 0 HA SER A 33 -8.214 4.359 9.382 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.792 5.118 8.673 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.028 3.461 9.192 1.00 0.00 H new ATOM 0 HG SER A 33 -11.157 4.960 10.957 1.00 0.00 H new ATOM 305 N ILE A 34 -8.007 1.924 7.713 1.00 0.00 N ATOM 306 CA ILE A 34 -7.766 0.500 7.546 1.00 0.00 C ATOM 307 C ILE A 34 -6.664 0.165 8.544 1.00 0.00 C ATOM 308 O ILE A 34 -5.655 0.884 8.584 1.00 0.00 O ATOM 309 CB ILE A 34 -7.362 0.156 6.095 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.442 0.659 5.116 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.153 -1.361 5.926 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.081 0.428 3.649 1.00 0.00 C ATOM 0 H ILE A 34 -7.588 2.499 6.982 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.664 -0.089 7.732 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.418 0.654 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.384 0.156 5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.604 1.724 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.869 -1.577 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.363 -1.696 6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.079 -1.885 6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.883 0.804 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.155 0.954 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.947 -0.639 3.471 1.00 0.00 H new ATOM 324 N PRO A 35 -6.822 -0.892 9.357 1.00 0.00 N ATOM 325 CA PRO A 35 -5.784 -1.283 10.283 1.00 0.00 C ATOM 326 C PRO A 35 -4.617 -1.814 9.460 1.00 0.00 C ATOM 327 O PRO A 35 -4.651 -2.935 8.936 1.00 0.00 O ATOM 328 CB PRO A 35 -6.430 -2.321 11.192 1.00 0.00 C ATOM 329 CG PRO A 35 -7.482 -2.976 10.303 1.00 0.00 C ATOM 330 CD PRO A 35 -7.944 -1.819 9.417 1.00 0.00 C ATOM 0 HA PRO A 35 -5.385 -0.479 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.701 -3.047 11.552 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.880 -1.859 12.071 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.063 -3.793 9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.303 -3.391 10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.213 -2.172 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.828 -1.336 9.834 1.00 0.00 H new ATOM 338 N TYR A 36 -3.578 -0.997 9.336 1.00 0.00 N ATOM 339 CA TYR A 36 -2.391 -1.339 8.579 1.00 0.00 C ATOM 340 C TYR A 36 -1.719 -2.478 9.320 1.00 0.00 C ATOM 341 O TYR A 36 -1.712 -2.511 10.552 1.00 0.00 O ATOM 342 CB TYR A 36 -1.472 -0.126 8.421 1.00 0.00 C ATOM 343 CG TYR A 36 -0.135 -0.450 7.778 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.007 -0.585 6.378 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.999 -0.591 8.599 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.270 -0.773 5.803 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.262 -0.804 8.030 1.00 0.00 C ATOM 348 CZ TYR A 36 2.412 -0.849 6.629 1.00 0.00 C ATOM 349 OH TYR A 36 3.650 -0.903 6.070 1.00 0.00 O ATOM 0 H TYR A 36 -3.540 -0.072 9.764 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.642 -1.649 7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.981 0.628 7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.296 0.315 9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.883 -0.545 5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.896 -0.535 9.673 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.372 -0.859 4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.124 -0.934 8.668 1.00 0.00 H new ATOM 0 HH TYR A 36 3.770 -0.141 5.466 1.00 0.00 H new ATOM 359 N ASP A 37 -1.207 -3.434 8.561 1.00 0.00 N ATOM 360 CA ASP A 37 -0.399 -4.501 9.108 1.00 0.00 C ATOM 361 C ASP A 37 0.809 -4.667 8.220 1.00 0.00 C ATOM 362 O ASP A 37 0.681 -5.115 7.079 1.00 0.00 O ATOM 363 CB ASP A 37 -1.138 -5.833 9.279 1.00 0.00 C ATOM 364 CG ASP A 37 -0.286 -6.796 10.120 1.00 0.00 C ATOM 365 OD1 ASP A 37 0.913 -6.525 10.373 1.00 0.00 O ATOM 366 OD2 ASP A 37 -0.869 -7.788 10.611 1.00 0.00 O ATOM 0 H ASP A 37 -1.342 -3.488 7.551 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.115 -4.216 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.100 -5.666 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.344 -6.273 8.303 1.00 0.00 H new ATOM 371 N LYS A 38 1.970 -4.275 8.739 1.00 0.00 N ATOM 372 CA LYS A 38 3.237 -4.398 8.046 1.00 0.00 C ATOM 373 C LYS A 38 3.427 -5.823 7.522 1.00 0.00 C ATOM 374 O LYS A 38 3.822 -5.979 6.369 1.00 0.00 O ATOM 375 CB LYS A 38 4.360 -4.020 8.990 1.00 0.00 C ATOM 376 CG LYS A 38 5.633 -3.852 8.147 1.00 0.00 C ATOM 377 CD LYS A 38 6.526 -2.810 8.798 1.00 0.00 C ATOM 378 CE LYS A 38 5.920 -1.422 8.531 1.00 0.00 C ATOM 379 NZ LYS A 38 6.824 -0.309 8.910 1.00 0.00 N ATOM 0 H LYS A 38 2.052 -3.858 9.666 1.00 0.00 H new ATOM 0 HA LYS A 38 3.247 -3.724 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.124 -3.095 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.500 -4.791 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.160 -4.803 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.375 -3.546 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.602 -2.991 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.536 -2.868 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.674 -1.337 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.986 -1.328 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.360 0.599 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.040 -0.368 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.706 -0.377 8.364 1.00 0.00 H new ATOM 393 N GLU A 39 3.140 -6.839 8.347 1.00 0.00 N ATOM 394 CA GLU A 39 3.260 -8.249 7.974 1.00 0.00 C ATOM 395 C GLU A 39 2.397 -8.539 6.749 1.00 0.00 C ATOM 396 O GLU A 39 2.890 -8.965 5.705 1.00 0.00 O ATOM 397 CB GLU A 39 2.853 -9.216 9.097 1.00 0.00 C ATOM 398 CG GLU A 39 3.841 -9.319 10.266 1.00 0.00 C ATOM 399 CD GLU A 39 3.782 -10.689 10.961 1.00 0.00 C ATOM 400 OE1 GLU A 39 2.753 -11.401 10.862 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.774 -11.099 11.608 1.00 0.00 O ATOM 0 H GLU A 39 2.814 -6.700 9.303 1.00 0.00 H new ATOM 0 HA GLU A 39 4.316 -8.416 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.884 -8.905 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.719 -10.209 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.853 -9.143 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.624 -8.536 10.992 1.00 0.00 H new ATOM 408 N LYS A 40 1.086 -8.331 6.861 1.00 0.00 N ATOM 409 CA LYS A 40 0.170 -8.718 5.799 1.00 0.00 C ATOM 410 C LYS A 40 0.416 -7.931 4.527 1.00 0.00 C ATOM 411 O LYS A 40 0.197 -8.455 3.438 1.00 0.00 O ATOM 412 CB LYS A 40 -1.265 -8.486 6.230 1.00 0.00 C ATOM 413 CG LYS A 40 -1.621 -9.143 7.565 1.00 0.00 C ATOM 414 CD LYS A 40 -3.016 -9.750 7.477 1.00 0.00 C ATOM 415 CE LYS A 40 -4.056 -8.661 7.151 1.00 0.00 C ATOM 416 NZ LYS A 40 -5.325 -9.238 6.652 1.00 0.00 N ATOM 0 H LYS A 40 0.641 -7.900 7.671 1.00 0.00 H new ATOM 0 HA LYS A 40 0.344 -9.776 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.444 -7.413 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.933 -8.868 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.891 -9.915 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.584 -8.406 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.036 -10.522 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.270 -10.233 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.254 -8.069 8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.647 -7.982 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.997 -8.472 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.142 -9.782 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.729 -9.866 7.376 1.00 0.00 H new ATOM 430 N VAL A 41 0.824 -6.670 4.643 1.00 0.00 N ATOM 431 CA VAL A 41 1.236 -5.887 3.500 1.00 0.00 C ATOM 432 C VAL A 41 2.467 -6.554 2.899 1.00 0.00 C ATOM 433 O VAL A 41 2.397 -6.909 1.724 1.00 0.00 O ATOM 434 CB VAL A 41 1.422 -4.412 3.898 1.00 0.00 C ATOM 435 CG1 VAL A 41 2.086 -3.575 2.796 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.035 -3.814 4.176 1.00 0.00 C ATOM 0 H VAL A 41 0.875 -6.171 5.531 1.00 0.00 H new ATOM 0 HA VAL A 41 0.472 -5.862 2.723 1.00 0.00 H new ATOM 0 HB VAL A 41 2.072 -4.386 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.190 -2.544 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.071 -3.985 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.469 -3.601 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.141 -2.767 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.579 -3.886 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.443 -4.364 4.987 1.00 0.00 H new ATOM 446 N ARG A 42 3.569 -6.743 3.644 1.00 0.00 N ATOM 447 CA ARG A 42 4.812 -7.226 3.055 1.00 0.00 C ATOM 448 C ARG A 42 4.653 -8.609 2.441 1.00 0.00 C ATOM 449 O ARG A 42 5.289 -8.892 1.436 1.00 0.00 O ATOM 450 CB ARG A 42 5.960 -7.163 4.069 1.00 0.00 C ATOM 451 CG ARG A 42 5.958 -8.278 5.120 1.00 0.00 C ATOM 452 CD ARG A 42 7.231 -8.317 5.944 1.00 0.00 C ATOM 453 NE ARG A 42 7.492 -7.092 6.714 1.00 0.00 N ATOM 454 CZ ARG A 42 8.376 -6.138 6.404 1.00 0.00 C ATOM 455 NH1 ARG A 42 8.965 -6.100 5.226 1.00 0.00 N ATOM 456 NH2 ARG A 42 8.684 -5.181 7.260 1.00 0.00 N ATOM 0 H ARG A 42 3.617 -6.568 4.648 1.00 0.00 H new ATOM 0 HA ARG A 42 5.071 -6.559 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.905 -7.197 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.920 -6.202 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.105 -8.142 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.824 -9.239 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.178 -9.160 6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.075 -8.501 5.279 1.00 0.00 H new ATOM 0 HE ARG A 42 6.947 -6.957 7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.750 -6.809 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.636 -5.361 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.245 -5.159 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.361 -4.464 7.001 1.00 0.00 H new ATOM 470 N GLU A 43 3.829 -9.477 3.019 1.00 0.00 N ATOM 471 CA GLU A 43 3.506 -10.788 2.474 1.00 0.00 C ATOM 472 C GLU A 43 2.803 -10.575 1.136 1.00 0.00 C ATOM 473 O GLU A 43 3.257 -11.053 0.101 1.00 0.00 O ATOM 474 CB GLU A 43 2.611 -11.510 3.501 1.00 0.00 C ATOM 475 CG GLU A 43 2.063 -12.872 3.054 1.00 0.00 C ATOM 476 CD GLU A 43 2.911 -14.058 3.512 1.00 0.00 C ATOM 477 OE1 GLU A 43 3.912 -14.392 2.835 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.500 -14.726 4.484 1.00 0.00 O ATOM 0 H GLU A 43 3.356 -9.282 3.902 1.00 0.00 H new ATOM 0 HA GLU A 43 4.388 -11.404 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.181 -11.650 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.770 -10.861 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.051 -12.990 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.993 -12.886 1.966 1.00 0.00 H new ATOM 485 N PHE A 44 1.699 -9.835 1.138 1.00 0.00 N ATOM 486 CA PHE A 44 0.857 -9.655 -0.025 1.00 0.00 C ATOM 487 C PHE A 44 1.608 -8.983 -1.177 1.00 0.00 C ATOM 488 O PHE A 44 1.645 -9.518 -2.281 1.00 0.00 O ATOM 489 CB PHE A 44 -0.386 -8.867 0.384 1.00 0.00 C ATOM 490 CG PHE A 44 -1.392 -8.835 -0.727 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.228 -7.927 -1.786 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.423 -9.791 -0.760 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.097 -7.977 -2.872 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.330 -9.791 -1.832 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.160 -8.875 -2.882 1.00 0.00 C ATOM 0 H PHE A 44 1.365 -9.338 1.964 1.00 0.00 H new ATOM 0 HA PHE A 44 0.553 -10.632 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.832 -9.319 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.103 -7.849 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.434 -7.196 -1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.516 -10.519 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.945 -7.315 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.152 -10.491 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.860 -8.867 -3.704 1.00 0.00 H new ATOM 505 N ILE A 45 2.234 -7.828 -0.948 1.00 0.00 N ATOM 506 CA ILE A 45 3.015 -7.099 -1.954 1.00 0.00 C ATOM 507 C ILE A 45 4.239 -7.871 -2.489 1.00 0.00 C ATOM 508 O ILE A 45 4.813 -7.457 -3.496 1.00 0.00 O ATOM 509 CB ILE A 45 3.427 -5.721 -1.400 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.403 -5.830 -0.207 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.195 -4.868 -1.044 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.836 -5.385 -0.485 1.00 0.00 C ATOM 0 H ILE A 45 2.213 -7.362 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 45 2.362 -6.972 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 45 3.967 -5.212 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.010 -5.234 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.422 -6.866 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.521 -3.903 -0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.588 -4.715 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.603 -5.382 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.435 -5.503 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.258 -5.996 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.839 -4.338 -0.789 1.00 0.00 H new ATOM 524 N PHE A 46 4.639 -8.967 -1.837 1.00 0.00 N ATOM 525 CA PHE A 46 5.639 -9.916 -2.335 1.00 0.00 C ATOM 526 C PHE A 46 5.018 -11.027 -3.185 1.00 0.00 C ATOM 527 O PHE A 46 5.720 -11.713 -3.930 1.00 0.00 O ATOM 528 CB PHE A 46 6.357 -10.567 -1.139 1.00 0.00 C ATOM 529 CG PHE A 46 7.667 -9.904 -0.763 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.678 -8.541 -0.415 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.865 -10.641 -0.720 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.867 -7.914 -0.010 1.00 0.00 C ATOM 533 CE2 PHE A 46 10.061 -10.011 -0.329 1.00 0.00 C ATOM 534 CZ PHE A 46 10.064 -8.650 0.028 1.00 0.00 C ATOM 0 H PHE A 46 4.266 -9.225 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 46 6.333 -9.356 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.692 -10.547 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.547 -11.615 -1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.762 -7.971 -0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.867 -11.688 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.862 -6.871 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.982 -10.575 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.984 -8.172 0.331 1.00 0.00 H new ATOM 544 N LYS A 47 3.730 -11.311 -2.995 1.00 0.00 N ATOM 545 CA LYS A 47 3.007 -12.366 -3.703 1.00 0.00 C ATOM 546 C LYS A 47 2.335 -11.821 -4.957 1.00 0.00 C ATOM 547 O LYS A 47 2.179 -12.564 -5.926 1.00 0.00 O ATOM 548 CB LYS A 47 1.940 -12.935 -2.766 1.00 0.00 C ATOM 549 CG LYS A 47 2.533 -13.881 -1.726 1.00 0.00 C ATOM 550 CD LYS A 47 1.463 -14.487 -0.808 1.00 0.00 C ATOM 551 CE LYS A 47 1.025 -15.884 -1.268 1.00 0.00 C ATOM 552 NZ LYS A 47 2.119 -16.871 -1.121 1.00 0.00 N ATOM 0 H LYS A 47 3.148 -10.802 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 47 3.712 -13.141 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.429 -12.116 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.190 -13.466 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.070 -14.683 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.262 -13.341 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.851 -14.547 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.596 -13.828 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.162 -16.206 -0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.708 -15.843 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.718 -17.829 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.760 -16.803 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.649 -16.675 -0.248 1.00 0.00 H new ATOM 566 N TYR A 48 1.922 -10.560 -4.910 1.00 0.00 N ATOM 567 CA TYR A 48 1.098 -9.829 -5.861 1.00 0.00 C ATOM 568 C TYR A 48 1.679 -8.420 -5.972 1.00 0.00 C ATOM 569 O TYR A 48 2.821 -8.189 -5.564 1.00 0.00 O ATOM 570 CB TYR A 48 -0.357 -9.798 -5.373 1.00 0.00 C ATOM 571 CG TYR A 48 -0.897 -11.156 -4.987 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.291 -12.060 -5.988 1.00 0.00 C ATOM 573 CD2 TYR A 48 -0.930 -11.539 -3.634 1.00 0.00 C ATOM 574 CE1 TYR A 48 -1.730 -13.344 -5.634 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.377 -12.818 -3.269 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.799 -13.717 -4.275 1.00 0.00 C ATOM 577 OH TYR A 48 -2.266 -14.942 -3.928 1.00 0.00 O ATOM 0 H TYR A 48 2.184 -9.965 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 48 1.100 -10.308 -6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.429 -9.131 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.985 -9.376 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.256 -11.767 -7.027 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.609 -10.845 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.015 -14.048 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.398 -13.113 -2.230 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.245 -15.036 -2.953 1.00 0.00 H new ATOM 587 N SER A 49 0.924 -7.475 -6.531 1.00 0.00 N ATOM 588 CA SER A 49 1.344 -6.088 -6.624 1.00 0.00 C ATOM 589 C SER A 49 0.380 -5.181 -5.857 1.00 0.00 C ATOM 590 O SER A 49 -0.664 -5.602 -5.356 1.00 0.00 O ATOM 591 CB SER A 49 1.490 -5.726 -8.102 1.00 0.00 C ATOM 592 OG SER A 49 2.270 -4.559 -8.243 1.00 0.00 O ATOM 0 H SER A 49 0.003 -7.656 -6.931 1.00 0.00 H new ATOM 0 HA SER A 49 2.315 -5.940 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.956 -6.551 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.506 -5.570 -8.545 1.00 0.00 H new ATOM 0 HG SER A 49 2.358 -4.337 -9.194 1.00 0.00 H new ATOM 598 N VAL A 50 0.756 -3.915 -5.740 1.00 0.00 N ATOM 599 CA VAL A 50 0.021 -2.839 -5.083 1.00 0.00 C ATOM 600 C VAL A 50 -1.356 -2.580 -5.672 1.00 0.00 C ATOM 601 O VAL A 50 -2.291 -2.304 -4.923 1.00 0.00 O ATOM 602 CB VAL A 50 0.844 -1.564 -4.982 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.039 -1.747 -4.043 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.305 -1.203 -6.363 1.00 0.00 C ATOM 0 H VAL A 50 1.642 -3.589 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.161 -3.196 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 50 0.233 -0.763 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.607 -0.818 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.682 -2.009 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.680 -2.544 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.899 -0.290 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.912 -2.013 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.439 -1.043 -7.005 1.00 0.00 H new ATOM 614 N GLN A 51 -1.478 -2.662 -6.993 1.00 0.00 N ATOM 615 CA GLN A 51 -2.740 -2.489 -7.680 1.00 0.00 C ATOM 616 C GLN A 51 -3.700 -3.561 -7.165 1.00 0.00 C ATOM 617 O GLN A 51 -4.809 -3.230 -6.769 1.00 0.00 O ATOM 618 CB GLN A 51 -2.547 -2.545 -9.208 1.00 0.00 C ATOM 619 CG GLN A 51 -3.745 -1.949 -9.967 1.00 0.00 C ATOM 620 CD GLN A 51 -3.656 -0.428 -10.105 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.321 0.319 -9.235 1.00 0.00 O flip ATOM 622 NE2 GLN A 51 -2.976 0.095 -10.988 1.00 0.00 N flip ATOM 0 H GLN A 51 -0.693 -2.852 -7.616 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.163 -1.506 -7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.641 -2.002 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.402 -3.580 -9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.802 -2.397 -10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.666 -2.210 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.468 -0.488 -11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.921 1.111 -11.055 1.00 0.00 H new ATOM 631 N ASP A 52 -3.270 -4.825 -7.124 1.00 0.00 N ATOM 632 CA ASP A 52 -4.053 -5.923 -6.567 1.00 0.00 C ATOM 633 C ASP A 52 -4.318 -5.672 -5.086 1.00 0.00 C ATOM 634 O ASP A 52 -5.468 -5.780 -4.683 1.00 0.00 O ATOM 635 CB ASP A 52 -3.322 -7.264 -6.776 1.00 0.00 C ATOM 636 CG ASP A 52 -4.215 -8.515 -6.766 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.920 -8.799 -5.768 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.120 -9.285 -7.742 1.00 0.00 O ATOM 0 H ASP A 52 -2.359 -5.114 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.010 -5.977 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.793 -7.225 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.568 -7.372 -5.997 1.00 0.00 H new ATOM 643 N LEU A 53 -3.322 -5.258 -4.277 1.00 0.00 N ATOM 644 CA LEU A 53 -3.561 -5.074 -2.842 1.00 0.00 C ATOM 645 C LEU A 53 -4.627 -4.023 -2.588 1.00 0.00 C ATOM 646 O LEU A 53 -5.598 -4.286 -1.886 1.00 0.00 O ATOM 647 CB LEU A 53 -2.243 -4.733 -2.139 1.00 0.00 C ATOM 648 CG LEU A 53 -2.306 -4.522 -0.598 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.329 -3.032 -0.318 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.333 -5.374 0.156 1.00 0.00 C ATOM 0 H LEU A 53 -2.372 -5.051 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.941 -6.007 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.531 -5.533 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.842 -3.826 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.398 -4.932 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.373 -2.865 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.426 -2.572 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.204 -2.586 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.287 -5.142 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.333 -5.156 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.111 -6.430 0.005 1.00 0.00 H new ATOM 662 N LEU A 54 -4.442 -2.831 -3.146 1.00 0.00 N ATOM 663 CA LEU A 54 -5.360 -1.725 -2.930 1.00 0.00 C ATOM 664 C LEU A 54 -6.751 -2.106 -3.445 1.00 0.00 C ATOM 665 O LEU A 54 -7.713 -1.877 -2.718 1.00 0.00 O ATOM 666 CB LEU A 54 -4.717 -0.427 -3.449 1.00 0.00 C ATOM 667 CG LEU A 54 -4.965 -0.074 -4.920 1.00 0.00 C ATOM 668 CD1 LEU A 54 -6.413 0.408 -5.090 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.987 1.011 -5.390 1.00 0.00 C ATOM 0 H LEU A 54 -3.656 -2.608 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.541 -1.512 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.077 0.399 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.640 -0.495 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.803 -0.963 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.592 0.660 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.098 -0.383 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.578 1.290 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.180 1.247 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.121 1.908 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.964 0.650 -5.282 1.00 0.00 H new ATOM 681 N VAL A 55 -6.855 -2.756 -4.612 1.00 0.00 N ATOM 682 CA VAL A 55 -8.115 -3.320 -5.107 1.00 0.00 C ATOM 683 C VAL A 55 -8.730 -4.278 -4.085 1.00 0.00 C ATOM 684 O VAL A 55 -9.883 -4.098 -3.713 1.00 0.00 O ATOM 685 CB VAL A 55 -7.954 -3.981 -6.493 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.173 -4.842 -6.869 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.791 -2.904 -7.575 1.00 0.00 C ATOM 0 H VAL A 55 -6.065 -2.905 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.810 -2.491 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.071 -4.618 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.015 -5.287 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.302 -5.632 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.066 -4.218 -6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.678 -3.381 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.672 -2.262 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.907 -2.304 -7.360 1.00 0.00 H new ATOM 697 N ARG A 56 -7.981 -5.286 -3.635 1.00 0.00 N ATOM 698 CA ARG A 56 -8.434 -6.333 -2.726 1.00 0.00 C ATOM 699 C ARG A 56 -9.153 -5.720 -1.554 1.00 0.00 C ATOM 700 O ARG A 56 -10.344 -5.932 -1.380 1.00 0.00 O ATOM 701 CB ARG A 56 -7.229 -7.145 -2.229 1.00 0.00 C ATOM 702 CG ARG A 56 -6.771 -8.172 -3.248 1.00 0.00 C ATOM 703 CD ARG A 56 -7.458 -9.493 -2.996 1.00 0.00 C ATOM 704 NE ARG A 56 -7.009 -10.146 -1.758 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.401 -11.355 -1.349 1.00 0.00 C ATOM 706 NH1 ARG A 56 -8.117 -12.133 -2.148 1.00 0.00 N ATOM 707 NH2 ARG A 56 -7.059 -11.784 -0.145 1.00 0.00 N ATOM 0 H ARG A 56 -7.004 -5.397 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.119 -6.994 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.405 -6.468 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.492 -7.650 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.996 -7.822 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.690 -8.298 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.535 -9.333 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.274 -10.159 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.350 -9.638 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.372 -11.809 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.413 -13.056 -1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.498 -11.192 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.357 -12.707 0.171 1.00 0.00 H new ATOM 721 N VAL A 57 -8.409 -4.975 -0.747 1.00 0.00 N ATOM 722 CA VAL A 57 -8.938 -4.434 0.491 1.00 0.00 C ATOM 723 C VAL A 57 -10.076 -3.450 0.228 1.00 0.00 C ATOM 724 O VAL A 57 -10.990 -3.378 1.035 1.00 0.00 O ATOM 725 CB VAL A 57 -7.786 -3.871 1.326 1.00 0.00 C ATOM 726 CG1 VAL A 57 -6.968 -2.740 0.697 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.237 -3.456 2.728 1.00 0.00 C ATOM 0 H VAL A 57 -7.435 -4.733 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.398 -5.224 1.084 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.106 -4.721 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.184 -2.430 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.516 -3.090 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.621 -1.893 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.385 -3.063 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.006 -2.687 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.642 -4.322 3.251 1.00 0.00 H new ATOM 737 N ALA A 58 -10.034 -2.716 -0.883 1.00 0.00 N ATOM 738 CA ALA A 58 -11.153 -1.872 -1.317 1.00 0.00 C ATOM 739 C ALA A 58 -12.428 -2.685 -1.477 1.00 0.00 C ATOM 740 O ALA A 58 -13.425 -2.347 -0.844 1.00 0.00 O ATOM 741 CB ALA A 58 -10.847 -1.117 -2.620 1.00 0.00 C ATOM 0 H ALA A 58 -9.228 -2.688 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.301 -1.132 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.707 -0.507 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.979 -0.475 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.638 -1.833 -3.415 1.00 0.00 H new ATOM 747 N GLU A 59 -12.369 -3.716 -2.315 1.00 0.00 N ATOM 748 CA GLU A 59 -13.502 -4.514 -2.753 1.00 0.00 C ATOM 749 C GLU A 59 -14.028 -5.381 -1.597 1.00 0.00 C ATOM 750 O GLU A 59 -15.202 -5.750 -1.549 1.00 0.00 O ATOM 751 CB GLU A 59 -13.017 -5.362 -3.939 1.00 0.00 C ATOM 752 CG GLU A 59 -14.187 -5.849 -4.787 1.00 0.00 C ATOM 753 CD GLU A 59 -14.496 -4.877 -5.948 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.884 -5.056 -7.033 1.00 0.00 O ATOM 755 OE2 GLU A 59 -15.375 -4.002 -5.824 1.00 0.00 O ATOM 0 H GLU A 59 -11.489 -4.029 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.337 -3.886 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.338 -4.773 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.452 -6.218 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.958 -6.836 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.071 -5.958 -4.159 1.00 0.00 H new ATOM 762 N ASP A 60 -13.146 -5.735 -0.665 1.00 0.00 N ATOM 763 CA ASP A 60 -13.458 -6.434 0.586 1.00 0.00 C ATOM 764 C ASP A 60 -14.166 -5.476 1.560 1.00 0.00 C ATOM 765 O ASP A 60 -14.999 -5.881 2.373 1.00 0.00 O ATOM 766 CB ASP A 60 -12.141 -6.927 1.229 1.00 0.00 C ATOM 767 CG ASP A 60 -12.256 -8.150 2.150 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.339 -8.455 2.708 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.207 -8.799 2.373 1.00 0.00 O ATOM 0 H ASP A 60 -12.150 -5.535 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.113 -7.279 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.437 -7.163 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.710 -6.106 1.801 1.00 0.00 H new ATOM 774 N ARG A 61 -13.795 -4.191 1.498 1.00 0.00 N ATOM 775 CA ARG A 61 -14.382 -3.043 2.190 1.00 0.00 C ATOM 776 C ARG A 61 -15.516 -2.466 1.321 1.00 0.00 C ATOM 777 O ARG A 61 -16.100 -3.145 0.475 1.00 0.00 O ATOM 778 CB ARG A 61 -13.305 -1.978 2.512 1.00 0.00 C ATOM 779 CG ARG A 61 -12.227 -2.356 3.538 1.00 0.00 C ATOM 780 CD ARG A 61 -12.582 -1.953 4.974 1.00 0.00 C ATOM 781 NE ARG A 61 -12.656 -0.488 5.190 1.00 0.00 N ATOM 782 CZ ARG A 61 -12.951 0.106 6.357 1.00 0.00 C ATOM 783 NH1 ARG A 61 -13.189 -0.645 7.429 1.00 0.00 N ATOM 784 NH2 ARG A 61 -13.014 1.428 6.480 1.00 0.00 N ATOM 0 H ARG A 61 -13.010 -3.907 0.912 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.798 -3.363 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.806 -1.711 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.812 -1.082 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.063 -3.433 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.287 -1.881 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.542 -2.397 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.839 -2.373 5.652 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.468 0.115 4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.146 -1.662 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.414 -0.204 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.835 2.024 5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.241 1.846 7.382 1.00 0.00 H new ATOM 798 N ASN A 62 -15.916 -1.230 1.628 1.00 0.00 N ATOM 799 CA ASN A 62 -16.834 -0.373 0.884 1.00 0.00 C ATOM 800 C ASN A 62 -16.078 0.875 0.448 1.00 0.00 C ATOM 801 O ASN A 62 -16.400 1.992 0.862 1.00 0.00 O ATOM 802 CB ASN A 62 -18.012 -0.053 1.794 1.00 0.00 C ATOM 803 CG ASN A 62 -19.231 0.582 1.124 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.087 1.509 0.193 1.00 0.00 O flip ATOM 805 ND2 ASN A 62 -20.352 0.244 1.485 1.00 0.00 N flip ATOM 0 H ASN A 62 -15.577 -0.768 2.472 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.218 -0.857 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.330 -0.976 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.665 0.618 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.462 -0.472 2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -21.175 0.678 1.067 1.00 0.00 H new ATOM 812 N LEU A 63 -14.973 0.665 -0.261 1.00 0.00 N ATOM 813 CA LEU A 63 -14.065 1.729 -0.698 1.00 0.00 C ATOM 814 C LEU A 63 -14.083 1.859 -2.221 1.00 0.00 C ATOM 815 O LEU A 63 -15.001 1.355 -2.860 1.00 0.00 O ATOM 816 CB LEU A 63 -12.673 1.500 -0.099 1.00 0.00 C ATOM 817 CG LEU A 63 -12.694 1.474 1.437 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.297 1.127 1.971 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.187 2.813 1.985 1.00 0.00 C ATOM 0 H LEU A 63 -14.675 -0.265 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.403 2.695 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.271 0.557 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.001 2.288 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.388 0.704 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.318 1.110 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.998 0.147 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.582 1.877 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.196 2.779 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.521 3.610 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.195 3.007 1.619 1.00 0.00 H new ATOM 831 N ASP A 64 -13.163 2.616 -2.824 1.00 0.00 N ATOM 832 CA ASP A 64 -13.063 2.713 -4.276 1.00 0.00 C ATOM 833 C ASP A 64 -11.583 2.756 -4.626 1.00 0.00 C ATOM 834 O ASP A 64 -10.819 3.553 -4.071 1.00 0.00 O ATOM 835 CB ASP A 64 -13.722 3.983 -4.834 1.00 0.00 C ATOM 836 CG ASP A 64 -15.190 4.178 -4.471 1.00 0.00 C ATOM 837 OD1 ASP A 64 -15.461 4.603 -3.314 1.00 0.00 O ATOM 838 OD2 ASP A 64 -16.056 3.954 -5.340 1.00 0.00 O ATOM 0 H ASP A 64 -12.473 3.174 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.578 1.857 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.161 4.848 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.634 3.969 -5.920 1.00 0.00 H new ATOM 843 N VAL A 65 -11.180 1.941 -5.596 1.00 0.00 N ATOM 844 CA VAL A 65 -9.836 1.940 -6.167 1.00 0.00 C ATOM 845 C VAL A 65 -9.463 3.326 -6.704 1.00 0.00 C ATOM 846 O VAL A 65 -8.320 3.757 -6.561 1.00 0.00 O ATOM 847 CB VAL A 65 -9.723 0.799 -7.201 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.849 0.873 -8.231 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.413 0.780 -8.008 1.00 0.00 C ATOM 0 H VAL A 65 -11.795 1.245 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.095 1.736 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.771 -0.100 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.743 0.057 -8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.811 0.789 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.798 1.826 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.428 -0.056 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.313 1.714 -8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.568 0.669 -7.328 1.00 0.00 H new ATOM 859 N GLU A 66 -10.433 4.046 -7.269 1.00 0.00 N ATOM 860 CA GLU A 66 -10.245 5.353 -7.880 1.00 0.00 C ATOM 861 C GLU A 66 -9.685 6.344 -6.852 1.00 0.00 C ATOM 862 O GLU A 66 -8.750 7.096 -7.142 1.00 0.00 O ATOM 863 CB GLU A 66 -11.601 5.825 -8.425 1.00 0.00 C ATOM 864 CG GLU A 66 -12.156 4.922 -9.540 1.00 0.00 C ATOM 865 CD GLU A 66 -11.394 5.130 -10.850 1.00 0.00 C ATOM 866 OE1 GLU A 66 -10.318 4.519 -11.041 1.00 0.00 O ATOM 867 OE2 GLU A 66 -11.835 5.955 -11.677 1.00 0.00 O ATOM 0 H GLU A 66 -11.399 3.722 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.526 5.292 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.320 5.864 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.498 6.841 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.084 3.878 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.214 5.137 -9.693 1.00 0.00 H new ATOM 874 N VAL A 67 -10.235 6.319 -5.637 1.00 0.00 N ATOM 875 CA VAL A 67 -9.828 7.207 -4.555 1.00 0.00 C ATOM 876 C VAL A 67 -8.470 6.723 -4.059 1.00 0.00 C ATOM 877 O VAL A 67 -7.564 7.520 -3.834 1.00 0.00 O ATOM 878 CB VAL A 67 -10.868 7.190 -3.410 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.564 8.275 -2.365 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.302 7.419 -3.904 1.00 0.00 C ATOM 0 H VAL A 67 -10.982 5.675 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.761 8.236 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.794 6.195 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.312 8.238 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.576 8.103 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.588 9.255 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.987 7.396 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.367 8.389 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.573 6.634 -4.610 1.00 0.00 H new ATOM 890 N LEU A 68 -8.313 5.410 -3.871 1.00 0.00 N ATOM 891 CA LEU A 68 -7.101 4.806 -3.326 1.00 0.00 C ATOM 892 C LEU A 68 -5.877 5.092 -4.188 1.00 0.00 C ATOM 893 O LEU A 68 -4.792 5.302 -3.645 1.00 0.00 O ATOM 894 CB LEU A 68 -7.307 3.287 -3.217 1.00 0.00 C ATOM 895 CG LEU A 68 -8.108 2.945 -1.957 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.750 1.569 -2.040 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.158 2.967 -0.764 1.00 0.00 C ATOM 0 H LEU A 68 -9.038 4.729 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.919 5.244 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.832 2.921 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.341 2.784 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.906 3.680 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.307 1.371 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.429 1.535 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.975 0.813 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.709 2.726 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.367 2.232 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.717 3.959 -0.668 1.00 0.00 H new ATOM 909 N ASN A 69 -6.059 5.093 -5.508 1.00 0.00 N ATOM 910 CA ASN A 69 -5.027 5.432 -6.468 1.00 0.00 C ATOM 911 C ASN A 69 -4.538 6.846 -6.162 1.00 0.00 C ATOM 912 O ASN A 69 -3.341 7.058 -5.966 1.00 0.00 O ATOM 913 CB ASN A 69 -5.577 5.304 -7.894 1.00 0.00 C ATOM 914 CG ASN A 69 -5.554 3.877 -8.429 1.00 0.00 C ATOM 915 OD1 ASN A 69 -6.648 3.395 -8.984 1.00 0.00 O flip ATOM 916 ND2 ASN A 69 -4.542 3.187 -8.364 1.00 0.00 N flip ATOM 0 H ASN A 69 -6.950 4.852 -5.942 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.183 4.747 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.602 5.675 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.994 5.942 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.696 3.561 -7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.546 2.239 -8.740 1.00 0.00 H new ATOM 923 N GLN A 70 -5.461 7.807 -6.081 1.00 0.00 N ATOM 924 CA GLN A 70 -5.134 9.195 -5.764 1.00 0.00 C ATOM 925 C GLN A 70 -4.566 9.355 -4.334 1.00 0.00 C ATOM 926 O GLN A 70 -3.696 10.206 -4.136 1.00 0.00 O ATOM 927 CB GLN A 70 -6.361 10.086 -6.021 1.00 0.00 C ATOM 928 CG GLN A 70 -6.409 10.777 -7.397 1.00 0.00 C ATOM 929 CD GLN A 70 -6.351 9.897 -8.647 1.00 0.00 C ATOM 930 OE1 GLN A 70 -5.798 10.305 -9.668 1.00 0.00 O ATOM 931 NE2 GLN A 70 -6.994 8.741 -8.690 1.00 0.00 N ATOM 0 H GLN A 70 -6.456 7.643 -6.234 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.332 9.523 -6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.259 9.478 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.398 10.854 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.327 11.363 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.578 11.481 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.459 8.385 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.024 8.206 -9.558 1.00 0.00 H new ATOM 940 N VAL A 71 -4.939 8.529 -3.340 1.00 0.00 N ATOM 941 CA VAL A 71 -4.336 8.635 -2.010 1.00 0.00 C ATOM 942 C VAL A 71 -2.888 8.157 -2.063 1.00 0.00 C ATOM 943 O VAL A 71 -2.023 8.754 -1.426 1.00 0.00 O ATOM 944 CB VAL A 71 -5.152 7.934 -0.914 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.417 7.970 0.428 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.472 8.680 -0.683 1.00 0.00 C ATOM 0 H VAL A 71 -5.642 7.796 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.343 9.687 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.312 6.909 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.018 7.467 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.457 7.463 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.252 9.006 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.044 8.175 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.262 9.704 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.050 8.692 -1.607 1.00 0.00 H new ATOM 956 N ARG A 72 -2.594 7.128 -2.861 1.00 0.00 N ATOM 957 CA ARG A 72 -1.230 6.638 -3.053 1.00 0.00 C ATOM 958 C ARG A 72 -0.271 7.751 -3.508 1.00 0.00 C ATOM 959 O ARG A 72 0.923 7.667 -3.216 1.00 0.00 O ATOM 960 CB ARG A 72 -1.251 5.419 -4.006 1.00 0.00 C ATOM 961 CG ARG A 72 -0.723 4.152 -3.319 1.00 0.00 C ATOM 962 CD ARG A 72 -1.134 2.823 -3.972 1.00 0.00 C ATOM 963 NE ARG A 72 -0.756 2.705 -5.392 1.00 0.00 N ATOM 964 CZ ARG A 72 0.468 2.550 -5.907 1.00 0.00 C ATOM 965 NH1 ARG A 72 1.534 2.381 -5.141 1.00 0.00 N ATOM 966 NH2 ARG A 72 0.637 2.574 -7.218 1.00 0.00 N ATOM 0 H ARG A 72 -3.296 6.612 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.833 6.305 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.269 5.247 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.646 5.635 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.366 4.202 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.068 4.150 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.679 2.002 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.214 2.707 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.522 2.747 -6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.435 2.366 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.454 2.266 -5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.165 2.710 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.569 2.456 -7.614 1.00 0.00 H new ATOM 980 N ALA A 73 -0.771 8.803 -4.165 1.00 0.00 N ATOM 981 CA ALA A 73 0.017 9.970 -4.546 1.00 0.00 C ATOM 982 C ALA A 73 0.362 10.876 -3.362 1.00 0.00 C ATOM 983 O ALA A 73 1.415 11.509 -3.369 1.00 0.00 O ATOM 984 CB ALA A 73 -0.768 10.803 -5.556 1.00 0.00 C ATOM 0 H ALA A 73 -1.749 8.864 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 73 0.949 9.590 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.181 11.676 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.977 10.201 -6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.707 11.128 -5.108 1.00 0.00 H new ATOM 990 N GLN A 74 -0.524 10.984 -2.364 1.00 0.00 N ATOM 991 CA GLN A 74 -0.337 11.884 -1.225 1.00 0.00 C ATOM 992 C GLN A 74 0.859 11.473 -0.379 1.00 0.00 C ATOM 993 O GLN A 74 1.364 12.303 0.373 1.00 0.00 O ATOM 994 CB GLN A 74 -1.576 11.887 -0.312 1.00 0.00 C ATOM 995 CG GLN A 74 -2.898 12.042 -1.063 1.00 0.00 C ATOM 996 CD GLN A 74 -2.945 13.245 -1.988 1.00 0.00 C ATOM 997 OE1 GLN A 74 -2.640 14.374 -1.606 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.273 13.008 -3.246 1.00 0.00 N ATOM 0 H GLN A 74 -1.391 10.448 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.172 12.877 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.599 10.957 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.482 12.699 0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.080 11.140 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.709 12.122 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.522 12.063 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.277 13.770 -3.924 1.00 0.00 H new