USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 465 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 27 TYR OH : rot 165:sc= 1.36 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.516 K(o=1.9,f=-5!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 26 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.028) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.6!) USER MOD Single : A 38 ASN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -178:sc= -0.0536 (180deg=-0.0608) USER MOD Single : A 47 MET CE :methyl -158:sc= -1.73 (180deg=-2.61!) USER MOD Single : A 50 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.22) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.48 USER MOD Single : A 64 GLN : amide:sc= -0.566 K(o=-0.57,f=-2.1!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.184 4.124 -25.947 1.00 0.00 N ATOM 146 CA GLN A 13 -1.393 4.259 -26.750 1.00 0.00 C ATOM 147 C GLN A 13 -1.198 5.290 -27.858 1.00 0.00 C ATOM 148 O GLN A 13 -0.256 6.082 -27.825 1.00 0.00 O ATOM 149 CB GLN A 13 -2.575 4.660 -25.867 1.00 0.00 C ATOM 150 CG GLN A 13 -2.527 6.108 -25.405 1.00 0.00 C ATOM 151 CD GLN A 13 -3.115 6.300 -24.021 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.423 6.716 -23.092 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.400 5.996 -23.877 1.00 0.00 N ATOM 0 HA GLN A 13 -1.603 3.293 -27.210 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.501 4.493 -26.417 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.602 4.009 -24.993 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.493 6.452 -25.407 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.071 6.730 -26.116 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.936 5.654 -24.675 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.851 6.104 -22.969 1.00 0.00 H new ATOM 162 N THR A 14 -2.095 5.274 -28.839 1.00 0.00 N ATOM 163 CA THR A 14 -2.021 6.206 -29.957 1.00 0.00 C ATOM 164 C THR A 14 -3.239 7.123 -29.990 1.00 0.00 C ATOM 165 O THR A 14 -4.279 6.812 -29.410 1.00 0.00 O ATOM 166 CB THR A 14 -1.917 5.462 -31.302 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.175 4.863 -31.629 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.839 4.391 -31.245 1.00 0.00 C ATOM 0 H THR A 14 -2.881 4.626 -28.882 1.00 0.00 H new ATOM 0 HA THR A 14 -1.122 6.805 -29.810 1.00 0.00 H new ATOM 0 HB THR A 14 -1.649 6.185 -32.072 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.101 4.394 -32.486 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.784 3.879 -32.206 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.123 4.854 -31.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.082 3.671 -30.464 1.00 0.00 H new ATOM 176 N VAL A 15 -3.103 8.255 -30.673 1.00 0.00 N ATOM 177 CA VAL A 15 -4.192 9.218 -30.783 1.00 0.00 C ATOM 178 C VAL A 15 -5.474 8.544 -31.259 1.00 0.00 C ATOM 179 O VAL A 15 -6.569 8.881 -30.811 1.00 0.00 O ATOM 180 CB VAL A 15 -3.836 10.361 -31.751 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.990 11.345 -31.863 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.566 11.066 -31.298 1.00 0.00 C ATOM 0 H VAL A 15 -2.249 8.528 -31.159 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.350 9.632 -29.787 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.656 9.935 -32.738 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.720 12.146 -32.551 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.874 10.828 -32.237 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.205 11.767 -30.881 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.329 11.871 -31.994 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.716 11.480 -30.301 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.742 10.352 -31.275 1.00 0.00 H new ATOM 192 N GLY A 16 -5.330 7.588 -32.172 1.00 0.00 N ATOM 193 CA GLY A 16 -6.484 6.881 -32.695 1.00 0.00 C ATOM 194 C GLY A 16 -7.275 6.179 -31.609 1.00 0.00 C ATOM 195 O GLY A 16 -8.413 6.550 -31.324 1.00 0.00 O ATOM 0 H GLY A 16 -4.434 7.291 -32.559 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.133 7.586 -33.215 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.154 6.148 -33.431 1.00 0.00 H new ATOM 199 N GLN A 17 -6.671 5.161 -31.004 1.00 0.00 N ATOM 200 CA GLN A 17 -7.328 4.404 -29.945 1.00 0.00 C ATOM 201 C GLN A 17 -7.652 5.301 -28.755 1.00 0.00 C ATOM 202 O GLN A 17 -8.588 5.034 -28.001 1.00 0.00 O ATOM 203 CB GLN A 17 -6.442 3.241 -29.495 1.00 0.00 C ATOM 204 CG GLN A 17 -6.270 2.163 -30.553 1.00 0.00 C ATOM 205 CD GLN A 17 -5.438 0.994 -30.065 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.967 0.022 -29.524 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.126 1.081 -30.253 1.00 0.00 N ATOM 0 H GLN A 17 -5.729 4.842 -31.229 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.262 4.007 -30.343 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.461 3.628 -29.219 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.871 2.794 -28.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.251 1.802 -30.861 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.798 2.597 -31.435 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.729 1.904 -30.706 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.515 0.324 -29.945 1.00 0.00 H new ATOM 216 N TRP A 18 -6.874 6.365 -28.593 1.00 0.00 N ATOM 217 CA TRP A 18 -7.079 7.302 -27.494 1.00 0.00 C ATOM 218 C TRP A 18 -8.423 8.009 -27.626 1.00 0.00 C ATOM 219 O TRP A 18 -9.134 8.200 -26.638 1.00 0.00 O ATOM 220 CB TRP A 18 -5.948 8.331 -27.457 1.00 0.00 C ATOM 221 CG TRP A 18 -6.165 9.415 -26.445 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.257 9.266 -25.091 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.318 10.814 -26.708 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.459 10.488 -24.496 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.499 11.454 -25.466 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.318 11.589 -27.871 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.679 12.830 -25.357 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.498 12.955 -27.761 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.675 13.564 -26.512 1.00 0.00 C ATOM 0 H TRP A 18 -6.095 6.601 -29.208 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.077 6.737 -26.562 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.010 7.821 -27.238 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.843 8.781 -28.444 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.182 8.326 -24.565 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.562 10.649 -23.494 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.180 11.129 -28.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.817 13.302 -24.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.502 13.563 -28.653 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.811 14.634 -26.459 1.00 0.00 H new ATOM 240 N LEU A 19 -8.765 8.397 -28.849 1.00 0.00 N ATOM 241 CA LEU A 19 -10.026 9.084 -29.109 1.00 0.00 C ATOM 242 C LEU A 19 -11.209 8.139 -28.927 1.00 0.00 C ATOM 243 O LEU A 19 -12.251 8.529 -28.400 1.00 0.00 O ATOM 244 CB LEU A 19 -10.032 9.660 -30.527 1.00 0.00 C ATOM 245 CG LEU A 19 -9.170 10.903 -30.750 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.583 10.900 -32.153 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.985 12.166 -30.514 1.00 0.00 C ATOM 0 H LEU A 19 -8.187 8.248 -29.676 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.122 9.899 -28.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.698 8.883 -31.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.060 9.903 -30.795 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.348 10.886 -30.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.973 11.792 -32.294 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.965 10.012 -32.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.390 10.894 -32.885 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.356 13.041 -30.677 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.827 12.190 -31.206 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.357 12.173 -29.490 1.00 0.00 H new ATOM 259 N GLU A 20 -11.039 6.895 -29.363 1.00 0.00 N ATOM 260 CA GLU A 20 -12.094 5.895 -29.246 1.00 0.00 C ATOM 261 C GLU A 20 -12.540 5.742 -27.794 1.00 0.00 C ATOM 262 O GLU A 20 -13.675 5.353 -27.520 1.00 0.00 O ATOM 263 CB GLU A 20 -11.611 4.547 -29.786 1.00 0.00 C ATOM 264 CG GLU A 20 -11.101 4.612 -31.216 1.00 0.00 C ATOM 265 CD GLU A 20 -11.671 3.512 -32.090 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.940 2.414 -31.560 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.848 3.749 -33.303 1.00 0.00 O ATOM 0 H GLU A 20 -10.182 6.556 -29.800 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.946 6.232 -29.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.816 4.171 -29.142 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.430 3.829 -29.733 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.357 5.581 -31.645 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.013 4.542 -31.213 1.00 0.00 H new ATOM 274 N SER A 21 -11.638 6.051 -26.868 1.00 0.00 N ATOM 275 CA SER A 21 -11.936 5.945 -25.445 1.00 0.00 C ATOM 276 C SER A 21 -12.925 7.024 -25.015 1.00 0.00 C ATOM 277 O SER A 21 -14.039 6.724 -24.584 1.00 0.00 O ATOM 278 CB SER A 21 -10.651 6.059 -24.623 1.00 0.00 C ATOM 279 OG SER A 21 -10.867 6.805 -23.438 1.00 0.00 O ATOM 0 H SER A 21 -10.695 6.377 -27.078 1.00 0.00 H new ATOM 0 HA SER A 21 -12.388 4.970 -25.266 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.289 5.063 -24.368 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.875 6.537 -25.221 1.00 0.00 H new ATOM 0 HG SER A 21 -10.031 6.862 -22.930 1.00 0.00 H new ATOM 285 N ILE A 22 -12.510 8.280 -25.135 1.00 0.00 N ATOM 286 CA ILE A 22 -13.359 9.404 -24.761 1.00 0.00 C ATOM 287 C ILE A 22 -14.712 9.328 -25.460 1.00 0.00 C ATOM 288 O ILE A 22 -15.729 9.751 -24.913 1.00 0.00 O ATOM 289 CB ILE A 22 -12.692 10.751 -25.100 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.279 10.783 -26.573 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.488 10.988 -24.201 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.679 12.103 -27.004 1.00 0.00 C ATOM 0 H ILE A 22 -11.591 8.545 -25.488 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.507 9.343 -23.683 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.412 11.550 -24.926 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.557 9.988 -26.757 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.151 10.571 -27.191 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.028 11.944 -24.453 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.809 11.003 -23.159 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.763 10.187 -24.345 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.410 12.053 -28.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.407 12.900 -26.853 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.787 12.308 -26.411 1.00 0.00 H new ATOM 304 N GLY A 23 -14.715 8.784 -26.673 1.00 0.00 N ATOM 305 CA GLY A 23 -15.949 8.661 -27.427 1.00 0.00 C ATOM 306 C GLY A 23 -16.094 9.740 -28.482 1.00 0.00 C ATOM 307 O GLY A 23 -17.166 10.328 -28.635 1.00 0.00 O ATOM 0 H GLY A 23 -13.886 8.426 -27.147 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.983 7.682 -27.906 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.796 8.710 -26.743 1.00 0.00 H new ATOM 311 N LEU A 24 -15.015 10.003 -29.209 1.00 0.00 N ATOM 312 CA LEU A 24 -15.026 11.020 -30.255 1.00 0.00 C ATOM 313 C LEU A 24 -14.026 10.681 -31.355 1.00 0.00 C ATOM 314 O LEU A 24 -13.013 11.356 -31.537 1.00 0.00 O ATOM 315 CB LEU A 24 -14.703 12.393 -29.661 1.00 0.00 C ATOM 316 CG LEU A 24 -15.877 13.148 -29.037 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.378 14.335 -28.228 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.850 13.604 -30.113 1.00 0.00 C ATOM 0 H LEU A 24 -14.121 9.526 -29.094 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.024 11.045 -30.693 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.933 12.265 -28.900 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.274 13.015 -30.447 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.403 12.471 -28.364 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.227 14.861 -27.791 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.721 13.983 -27.433 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.827 15.014 -28.879 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.679 14.139 -29.651 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.336 14.264 -30.812 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.233 12.736 -30.649 1.00 0.00 H new ATOM 330 N PRO A 25 -14.317 9.611 -32.110 1.00 0.00 N ATOM 331 CA PRO A 25 -13.457 9.160 -33.208 1.00 0.00 C ATOM 332 C PRO A 25 -13.475 10.122 -34.392 1.00 0.00 C ATOM 333 O PRO A 25 -12.550 10.137 -35.204 1.00 0.00 O ATOM 334 CB PRO A 25 -14.066 7.813 -33.605 1.00 0.00 C ATOM 335 CG PRO A 25 -15.493 7.904 -33.186 1.00 0.00 C ATOM 336 CD PRO A 25 -15.508 8.760 -31.950 1.00 0.00 C ATOM 0 HA PRO A 25 -12.411 9.099 -32.907 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.979 7.640 -34.678 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.559 6.987 -33.106 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.104 8.345 -33.974 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.903 6.915 -32.981 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.420 9.353 -31.883 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.453 8.158 -31.043 1.00 0.00 H new ATOM 344 N GLN A 26 -14.532 10.922 -34.482 1.00 0.00 N ATOM 345 CA GLN A 26 -14.669 11.887 -35.567 1.00 0.00 C ATOM 346 C GLN A 26 -13.457 12.811 -35.629 1.00 0.00 C ATOM 347 O GLN A 26 -13.129 13.349 -36.687 1.00 0.00 O ATOM 348 CB GLN A 26 -15.945 12.711 -35.387 1.00 0.00 C ATOM 349 CG GLN A 26 -16.042 13.394 -34.032 1.00 0.00 C ATOM 350 CD GLN A 26 -17.133 14.446 -33.986 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.115 15.409 -34.753 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.091 14.266 -33.085 1.00 0.00 N ATOM 0 H GLN A 26 -15.306 10.921 -33.817 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.731 11.335 -36.505 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.993 13.468 -36.170 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.809 12.060 -35.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.233 12.644 -33.264 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.085 13.858 -33.794 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -18.066 13.453 -32.469 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.852 14.941 -33.008 1.00 0.00 H new ATOM 361 N TYR A 27 -12.798 12.991 -34.491 1.00 0.00 N ATOM 362 CA TYR A 27 -11.624 13.853 -34.415 1.00 0.00 C ATOM 363 C TYR A 27 -10.341 13.041 -34.568 1.00 0.00 C ATOM 364 O TYR A 27 -9.335 13.323 -33.918 1.00 0.00 O ATOM 365 CB TYR A 27 -11.606 14.611 -33.087 1.00 0.00 C ATOM 366 CG TYR A 27 -12.809 15.503 -32.882 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.282 16.312 -33.909 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.474 15.537 -31.663 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.380 17.129 -33.726 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.574 16.351 -31.471 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.023 17.145 -32.505 1.00 0.00 C ATOM 372 OH TYR A 27 -16.118 17.957 -32.320 1.00 0.00 O ATOM 0 H TYR A 27 -13.056 12.552 -33.607 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.678 14.570 -35.234 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.554 13.892 -32.269 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.702 15.218 -33.037 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.782 16.301 -34.866 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.125 14.916 -30.851 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.734 17.752 -34.534 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.079 16.365 -30.517 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.595 17.683 -31.509 1.00 0.00 H new ATOM 382 N GLU A 28 -10.387 12.033 -35.433 1.00 0.00 N ATOM 383 CA GLU A 28 -9.228 11.179 -35.672 1.00 0.00 C ATOM 384 C GLU A 28 -8.324 11.778 -36.745 1.00 0.00 C ATOM 385 O GLU A 28 -7.099 11.697 -36.655 1.00 0.00 O ATOM 386 CB GLU A 28 -9.677 9.778 -36.092 1.00 0.00 C ATOM 387 CG GLU A 28 -8.533 8.787 -36.224 1.00 0.00 C ATOM 388 CD GLU A 28 -8.600 7.988 -37.512 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.703 7.519 -37.862 1.00 0.00 O ATOM 390 OE2 GLU A 28 -7.550 7.832 -38.169 1.00 0.00 O ATOM 0 H GLU A 28 -11.213 11.787 -35.979 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.663 11.108 -34.743 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.392 9.400 -35.361 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.201 9.844 -37.045 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.585 9.324 -36.183 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.549 8.103 -35.375 1.00 0.00 H new ATOM 397 N ASN A 29 -8.936 12.379 -37.760 1.00 0.00 N ATOM 398 CA ASN A 29 -8.187 12.990 -38.852 1.00 0.00 C ATOM 399 C ASN A 29 -7.825 14.435 -38.520 1.00 0.00 C ATOM 400 O ASN A 29 -6.836 14.969 -39.023 1.00 0.00 O ATOM 401 CB ASN A 29 -9.000 12.941 -40.147 1.00 0.00 C ATOM 402 CG ASN A 29 -8.236 13.502 -41.331 1.00 0.00 C ATOM 403 OD1 ASN A 29 -7.141 13.042 -41.651 1.00 0.00 O ATOM 404 ND2 ASN A 29 -8.814 14.502 -41.986 1.00 0.00 N ATOM 0 H ASN A 29 -9.949 12.456 -37.849 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.265 12.424 -38.989 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.283 11.909 -40.356 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.924 13.504 -40.014 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.348 14.921 -42.791 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.724 14.851 -41.684 1.00 0.00 H new ATOM 411 N HIS A 30 -8.632 15.061 -37.670 1.00 0.00 N ATOM 412 CA HIS A 30 -8.396 16.444 -37.270 1.00 0.00 C ATOM 413 C HIS A 30 -6.996 16.609 -36.686 1.00 0.00 C ATOM 414 O HIS A 30 -6.226 17.464 -37.125 1.00 0.00 O ATOM 415 CB HIS A 30 -9.443 16.887 -36.247 1.00 0.00 C ATOM 416 CG HIS A 30 -10.659 17.507 -36.865 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.672 16.767 -37.438 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.021 18.804 -36.997 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.604 17.583 -37.896 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.234 18.825 -37.641 1.00 0.00 N ATOM 0 H HIS A 30 -9.455 14.633 -37.245 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.477 17.072 -38.157 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.747 16.025 -35.653 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.989 17.602 -35.561 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.460 19.663 -36.659 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.515 17.285 -38.395 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.763 19.663 -37.883 1.00 0.00 H new ATOM 428 N LEU A 31 -6.673 15.787 -35.693 1.00 0.00 N ATOM 429 CA LEU A 31 -5.366 15.842 -35.048 1.00 0.00 C ATOM 430 C LEU A 31 -4.286 15.264 -35.957 1.00 0.00 C ATOM 431 O LEU A 31 -3.232 15.871 -36.148 1.00 0.00 O ATOM 432 CB LEU A 31 -5.397 15.078 -33.723 1.00 0.00 C ATOM 433 CG LEU A 31 -6.549 15.420 -32.778 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.153 14.153 -32.192 1.00 0.00 C ATOM 435 CD2 LEU A 31 -6.072 16.347 -31.669 1.00 0.00 C ATOM 0 H LEU A 31 -7.299 15.074 -35.317 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.128 16.887 -34.852 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.438 14.011 -33.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.458 15.260 -33.200 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.321 15.936 -33.349 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.971 14.416 -31.522 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.532 13.524 -32.998 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.389 13.609 -31.636 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.905 16.580 -31.006 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.282 15.857 -31.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.687 17.269 -32.106 1.00 0.00 H new ATOM 447 N MET A 32 -4.556 14.090 -36.516 1.00 0.00 N ATOM 448 CA MET A 32 -3.608 13.432 -37.408 1.00 0.00 C ATOM 449 C MET A 32 -3.193 14.363 -38.542 1.00 0.00 C ATOM 450 O MET A 32 -2.081 14.267 -39.061 1.00 0.00 O ATOM 451 CB MET A 32 -4.218 12.151 -37.980 1.00 0.00 C ATOM 452 CG MET A 32 -4.178 10.975 -37.018 1.00 0.00 C ATOM 453 SD MET A 32 -2.946 9.742 -37.479 1.00 0.00 S ATOM 454 CE MET A 32 -2.673 8.931 -35.905 1.00 0.00 C ATOM 0 H MET A 32 -5.423 13.574 -36.368 1.00 0.00 H new ATOM 0 HA MET A 32 -2.720 13.176 -36.830 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.253 12.345 -38.260 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.686 11.881 -38.892 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.963 11.340 -36.013 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.161 10.505 -36.983 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.933 8.140 -36.027 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.311 9.659 -35.179 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.609 8.500 -35.551 1.00 0.00 H new ATOM 464 N ALA A 33 -4.094 15.263 -38.923 1.00 0.00 N ATOM 465 CA ALA A 33 -3.820 16.211 -39.995 1.00 0.00 C ATOM 466 C ALA A 33 -3.084 17.438 -39.468 1.00 0.00 C ATOM 467 O ALA A 33 -2.085 17.868 -40.041 1.00 0.00 O ATOM 468 CB ALA A 33 -5.116 16.624 -40.678 1.00 0.00 C ATOM 0 H ALA A 33 -5.020 15.355 -38.505 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.177 15.720 -40.725 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.897 17.332 -41.477 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.603 15.744 -41.097 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.778 17.092 -39.950 1.00 0.00 H new ATOM 474 N ASN A 34 -3.586 17.998 -38.371 1.00 0.00 N ATOM 475 CA ASN A 34 -2.976 19.177 -37.767 1.00 0.00 C ATOM 476 C ASN A 34 -1.502 18.930 -37.461 1.00 0.00 C ATOM 477 O ASN A 34 -0.697 19.860 -37.442 1.00 0.00 O ATOM 478 CB ASN A 34 -3.718 19.560 -36.485 1.00 0.00 C ATOM 479 CG ASN A 34 -4.746 20.651 -36.716 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.476 21.831 -36.496 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.934 20.259 -37.162 1.00 0.00 N ATOM 0 H ASN A 34 -4.413 17.654 -37.883 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.048 19.999 -38.480 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.213 18.678 -36.078 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.998 19.895 -35.738 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.666 20.948 -37.336 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.114 19.269 -37.331 1.00 0.00 H new ATOM 488 N GLY A 35 -1.156 17.669 -37.222 1.00 0.00 N ATOM 489 CA GLY A 35 0.221 17.322 -36.920 1.00 0.00 C ATOM 490 C GLY A 35 0.400 16.851 -35.491 1.00 0.00 C ATOM 491 O GLY A 35 1.508 16.878 -34.955 1.00 0.00 O ATOM 0 H GLY A 35 -1.804 16.881 -37.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.553 16.539 -37.602 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.858 18.189 -37.096 1.00 0.00 H new ATOM 495 N PHE A 36 -0.693 16.419 -34.870 1.00 0.00 N ATOM 496 CA PHE A 36 -0.652 15.943 -33.492 1.00 0.00 C ATOM 497 C PHE A 36 -0.629 14.418 -33.445 1.00 0.00 C ATOM 498 O PHE A 36 -1.604 13.783 -33.042 1.00 0.00 O ATOM 499 CB PHE A 36 -1.858 16.470 -32.712 1.00 0.00 C ATOM 500 CG PHE A 36 -1.662 17.857 -32.170 1.00 0.00 C ATOM 501 CD1 PHE A 36 -1.029 18.056 -30.953 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.110 18.961 -32.876 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.846 19.330 -30.451 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.930 20.238 -32.379 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.298 20.423 -31.165 1.00 0.00 C ATOM 0 H PHE A 36 -1.618 16.389 -35.299 1.00 0.00 H new ATOM 0 HA PHE A 36 0.262 16.318 -33.031 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.733 16.463 -33.363 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.070 15.792 -31.885 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.675 17.205 -30.390 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.606 18.823 -33.826 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.350 19.471 -29.502 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.283 21.091 -32.940 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.157 21.420 -30.775 1.00 0.00 H new ATOM 515 N ASP A 37 0.492 13.836 -33.859 1.00 0.00 N ATOM 516 CA ASP A 37 0.644 12.386 -33.864 1.00 0.00 C ATOM 517 C ASP A 37 1.557 11.932 -32.729 1.00 0.00 C ATOM 518 O ASP A 37 2.214 10.896 -32.825 1.00 0.00 O ATOM 519 CB ASP A 37 1.206 11.915 -35.207 1.00 0.00 C ATOM 520 CG ASP A 37 2.516 12.593 -35.556 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.478 13.741 -36.048 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.579 11.977 -35.336 1.00 0.00 O ATOM 0 H ASP A 37 1.308 14.347 -34.195 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.340 11.941 -33.715 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.356 10.836 -35.177 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.477 12.114 -35.992 1.00 0.00 H new ATOM 527 N ASN A 38 1.592 12.714 -31.656 1.00 0.00 N ATOM 528 CA ASN A 38 2.425 12.393 -30.503 1.00 0.00 C ATOM 529 C ASN A 38 1.602 12.398 -29.218 1.00 0.00 C ATOM 530 O ASN A 38 1.408 13.442 -28.596 1.00 0.00 O ATOM 531 CB ASN A 38 3.578 13.392 -30.387 1.00 0.00 C ATOM 532 CG ASN A 38 4.166 13.757 -31.736 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.319 12.903 -32.610 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.499 15.030 -31.912 1.00 0.00 N ATOM 0 H ASN A 38 1.053 13.575 -31.560 1.00 0.00 H new ATOM 0 HA ASN A 38 2.833 11.393 -30.648 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.223 14.296 -29.892 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.359 12.969 -29.756 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.899 15.334 -32.799 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.354 15.704 -31.160 1.00 0.00 H new ATOM 541 N VAL A 39 1.120 11.222 -28.827 1.00 0.00 N ATOM 542 CA VAL A 39 0.319 11.090 -27.615 1.00 0.00 C ATOM 543 C VAL A 39 1.121 11.486 -26.381 1.00 0.00 C ATOM 544 O VAL A 39 0.555 11.894 -25.367 1.00 0.00 O ATOM 545 CB VAL A 39 -0.197 9.650 -27.439 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.168 9.570 -26.271 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.851 9.158 -28.721 1.00 0.00 C ATOM 0 H VAL A 39 1.270 10.348 -29.331 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.532 11.763 -27.722 1.00 0.00 H new ATOM 0 HB VAL A 39 0.652 9.003 -27.220 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.522 8.545 -26.162 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.663 9.879 -25.356 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.016 10.229 -26.457 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.210 8.139 -28.578 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.690 9.806 -28.973 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.122 9.176 -29.531 1.00 0.00 H new ATOM 557 N GLN A 40 2.441 11.362 -26.474 1.00 0.00 N ATOM 558 CA GLN A 40 3.321 11.707 -25.363 1.00 0.00 C ATOM 559 C GLN A 40 3.321 13.212 -25.116 1.00 0.00 C ATOM 560 O GLN A 40 3.342 13.663 -23.971 1.00 0.00 O ATOM 561 CB GLN A 40 4.745 11.223 -25.644 1.00 0.00 C ATOM 562 CG GLN A 40 5.366 11.847 -26.883 1.00 0.00 C ATOM 563 CD GLN A 40 6.747 11.299 -27.182 1.00 0.00 C ATOM 564 OE1 GLN A 40 7.751 11.804 -26.679 1.00 0.00 O ATOM 565 NE2 GLN A 40 6.806 10.259 -28.006 1.00 0.00 N ATOM 0 H GLN A 40 2.925 11.025 -27.307 1.00 0.00 H new ATOM 0 HA GLN A 40 2.947 11.211 -24.468 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.373 11.446 -24.781 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.735 10.139 -25.759 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.716 11.670 -27.739 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.429 12.927 -26.749 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.949 9.872 -28.400 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.708 9.848 -28.244 1.00 0.00 H new ATOM 574 N PHE A 41 3.299 13.984 -26.198 1.00 0.00 N ATOM 575 CA PHE A 41 3.298 15.439 -26.099 1.00 0.00 C ATOM 576 C PHE A 41 2.122 15.926 -25.258 1.00 0.00 C ATOM 577 O PHE A 41 2.300 16.671 -24.295 1.00 0.00 O ATOM 578 CB PHE A 41 3.238 16.066 -27.493 1.00 0.00 C ATOM 579 CG PHE A 41 4.553 16.624 -27.957 1.00 0.00 C ATOM 580 CD1 PHE A 41 4.897 17.938 -27.687 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.445 15.833 -28.664 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.107 18.454 -28.112 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.656 16.344 -29.092 1.00 0.00 C ATOM 584 CZ PHE A 41 6.987 17.656 -28.816 1.00 0.00 C ATOM 0 H PHE A 41 3.282 13.626 -27.153 1.00 0.00 H new ATOM 0 HA PHE A 41 4.223 15.746 -25.610 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.899 15.315 -28.206 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.494 16.863 -27.492 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.212 18.567 -27.138 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.191 14.806 -28.883 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.364 19.480 -27.894 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.343 15.718 -29.642 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.932 18.057 -29.150 1.00 0.00 H new ATOM 594 N MET A 42 0.920 15.500 -25.631 1.00 0.00 N ATOM 595 CA MET A 42 -0.287 15.892 -24.911 1.00 0.00 C ATOM 596 C MET A 42 -0.193 15.502 -23.439 1.00 0.00 C ATOM 597 O MET A 42 -0.401 14.344 -23.080 1.00 0.00 O ATOM 598 CB MET A 42 -1.518 15.243 -25.545 1.00 0.00 C ATOM 599 CG MET A 42 -1.618 15.465 -27.045 1.00 0.00 C ATOM 600 SD MET A 42 -3.193 14.913 -27.726 1.00 0.00 S ATOM 601 CE MET A 42 -2.644 14.057 -29.200 1.00 0.00 C ATOM 0 H MET A 42 0.755 14.884 -26.427 1.00 0.00 H new ATOM 0 HA MET A 42 -0.383 16.976 -24.976 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.497 14.172 -25.345 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.414 15.639 -25.067 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.485 16.525 -27.261 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.806 14.934 -27.542 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.510 13.688 -29.750 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.079 14.744 -29.830 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.009 13.217 -28.918 1.00 0.00 H new ATOM 643 N VAL A 46 0.027 20.860 -24.345 1.00 0.00 N ATOM 644 CA VAL A 46 -0.601 21.128 -25.633 1.00 0.00 C ATOM 645 C VAL A 46 -2.033 20.607 -25.666 1.00 0.00 C ATOM 646 O VAL A 46 -2.532 20.074 -24.676 1.00 0.00 O ATOM 647 CB VAL A 46 0.193 20.489 -26.789 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.502 21.231 -27.012 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.446 19.016 -26.509 1.00 0.00 C ATOM 0 HA VAL A 46 -0.608 22.210 -25.762 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.399 20.566 -27.701 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.049 20.766 -27.832 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.293 22.272 -27.260 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.104 21.188 -26.104 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.008 18.580 -27.335 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.018 18.914 -25.587 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.507 18.497 -26.404 1.00 0.00 H new ATOM 659 N MET A 47 -2.688 20.764 -26.811 1.00 0.00 N ATOM 660 CA MET A 47 -4.064 20.307 -26.973 1.00 0.00 C ATOM 661 C MET A 47 -4.988 21.001 -25.978 1.00 0.00 C ATOM 662 O MET A 47 -6.032 20.465 -25.609 1.00 0.00 O ATOM 663 CB MET A 47 -4.145 18.791 -26.790 1.00 0.00 C ATOM 664 CG MET A 47 -4.947 18.090 -27.875 1.00 0.00 C ATOM 665 SD MET A 47 -4.151 18.173 -29.491 1.00 0.00 S ATOM 666 CE MET A 47 -5.165 19.405 -30.304 1.00 0.00 C ATOM 0 H MET A 47 -2.289 21.204 -27.640 1.00 0.00 H new ATOM 0 HA MET A 47 -4.389 20.562 -27.982 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.135 18.381 -26.774 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.593 18.574 -25.820 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.090 17.046 -27.598 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.937 18.541 -27.938 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.073 19.297 -31.385 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.207 19.268 -30.013 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.834 20.401 -30.010 1.00 0.00 H new ATOM 676 N GLU A 48 -4.596 22.196 -25.547 1.00 0.00 N ATOM 677 CA GLU A 48 -5.390 22.962 -24.593 1.00 0.00 C ATOM 678 C GLU A 48 -6.652 23.511 -25.253 1.00 0.00 C ATOM 679 O GLU A 48 -6.929 23.228 -26.419 1.00 0.00 O ATOM 680 CB GLU A 48 -4.563 24.112 -24.014 1.00 0.00 C ATOM 681 CG GLU A 48 -3.187 23.688 -23.529 1.00 0.00 C ATOM 682 CD GLU A 48 -2.871 24.211 -22.141 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.550 25.411 -22.018 1.00 0.00 O ATOM 684 OE2 GLU A 48 -2.945 23.419 -21.178 1.00 0.00 O ATOM 0 H GLU A 48 -3.734 22.654 -25.843 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.685 22.293 -23.785 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.449 24.885 -24.774 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.110 24.560 -23.184 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.126 22.600 -23.526 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.433 24.047 -24.229 1.00 0.00 H new ATOM 691 N ASP A 49 -7.414 24.295 -24.498 1.00 0.00 N ATOM 692 CA ASP A 49 -8.646 24.884 -25.008 1.00 0.00 C ATOM 693 C ASP A 49 -8.395 25.617 -26.322 1.00 0.00 C ATOM 694 O ASP A 49 -9.231 25.595 -27.225 1.00 0.00 O ATOM 695 CB ASP A 49 -9.241 25.846 -23.978 1.00 0.00 C ATOM 696 CG ASP A 49 -10.715 26.108 -24.215 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.497 25.134 -24.226 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.088 27.287 -24.388 1.00 0.00 O ATOM 0 H ASP A 49 -7.200 24.537 -23.531 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.356 24.078 -25.193 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.104 25.433 -22.978 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.697 26.790 -24.010 1.00 0.00 H new ATOM 703 N GLN A 50 -7.239 26.266 -26.420 1.00 0.00 N ATOM 704 CA GLN A 50 -6.880 27.007 -27.623 1.00 0.00 C ATOM 705 C GLN A 50 -6.428 26.061 -28.731 1.00 0.00 C ATOM 706 O GLN A 50 -6.906 26.142 -29.862 1.00 0.00 O ATOM 707 CB GLN A 50 -5.772 28.016 -27.314 1.00 0.00 C ATOM 708 CG GLN A 50 -6.239 29.462 -27.345 1.00 0.00 C ATOM 709 CD GLN A 50 -5.466 30.304 -28.341 1.00 0.00 C ATOM 710 OE1 GLN A 50 -4.246 30.189 -28.453 1.00 0.00 O ATOM 711 NE2 GLN A 50 -6.175 31.157 -29.071 1.00 0.00 N ATOM 0 H GLN A 50 -6.536 26.294 -25.682 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.765 27.543 -27.967 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.358 27.798 -26.330 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.965 27.888 -28.035 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.299 29.492 -27.595 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.134 29.895 -26.350 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.185 31.219 -28.945 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.709 31.750 -29.758 1.00 0.00 H new ATOM 720 N ASP A 51 -5.505 25.166 -28.397 1.00 0.00 N ATOM 721 CA ASP A 51 -4.989 24.204 -29.364 1.00 0.00 C ATOM 722 C ASP A 51 -6.124 23.393 -29.983 1.00 0.00 C ATOM 723 O ASP A 51 -6.005 22.892 -31.102 1.00 0.00 O ATOM 724 CB ASP A 51 -3.982 23.267 -28.695 1.00 0.00 C ATOM 725 CG ASP A 51 -2.847 24.018 -28.027 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.094 24.664 -26.987 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.712 23.959 -28.544 1.00 0.00 O ATOM 0 H ASP A 51 -5.099 25.086 -27.465 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.487 24.757 -30.158 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.496 22.656 -27.953 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.573 22.585 -29.441 1.00 0.00 H new ATOM 732 N LEU A 52 -7.223 23.268 -29.248 1.00 0.00 N ATOM 733 CA LEU A 52 -8.380 22.517 -29.723 1.00 0.00 C ATOM 734 C LEU A 52 -9.274 23.390 -30.598 1.00 0.00 C ATOM 735 O LEU A 52 -10.005 22.888 -31.453 1.00 0.00 O ATOM 736 CB LEU A 52 -9.181 21.971 -28.539 1.00 0.00 C ATOM 737 CG LEU A 52 -8.584 20.756 -27.829 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.163 20.619 -26.429 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.832 19.491 -28.637 1.00 0.00 C ATOM 0 H LEU A 52 -7.338 23.677 -28.321 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.018 21.682 -30.324 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.302 22.771 -27.808 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.178 21.707 -28.891 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.507 20.902 -27.742 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.727 19.749 -25.938 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.934 21.514 -25.851 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.244 20.495 -26.493 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.400 18.636 -28.116 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.905 19.339 -28.756 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.369 19.590 -29.619 1.00 0.00 H new ATOM 751 N LEU A 53 -9.210 24.699 -30.379 1.00 0.00 N ATOM 752 CA LEU A 53 -10.012 25.643 -31.148 1.00 0.00 C ATOM 753 C LEU A 53 -9.286 26.063 -32.423 1.00 0.00 C ATOM 754 O LEU A 53 -9.915 26.448 -33.408 1.00 0.00 O ATOM 755 CB LEU A 53 -10.335 26.876 -30.303 1.00 0.00 C ATOM 756 CG LEU A 53 -10.999 28.040 -31.039 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.382 27.642 -31.531 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.083 29.263 -30.137 1.00 0.00 C ATOM 0 H LEU A 53 -8.611 25.130 -29.675 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.942 25.148 -31.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.987 26.570 -29.485 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.409 27.237 -29.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.387 28.293 -31.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.839 28.483 -32.052 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.296 26.796 -32.213 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.004 27.361 -30.681 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.558 30.082 -30.677 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.672 29.022 -29.252 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.079 29.562 -29.835 1.00 0.00 H new ATOM 770 N GLU A 54 -7.959 25.983 -32.395 1.00 0.00 N ATOM 771 CA GLU A 54 -7.149 26.353 -33.549 1.00 0.00 C ATOM 772 C GLU A 54 -7.121 25.228 -34.579 1.00 0.00 C ATOM 773 O GLU A 54 -7.047 25.475 -35.783 1.00 0.00 O ATOM 774 CB GLU A 54 -5.723 26.693 -33.111 1.00 0.00 C ATOM 775 CG GLU A 54 -4.900 25.477 -32.720 1.00 0.00 C ATOM 776 CD GLU A 54 -3.506 25.842 -32.249 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.348 26.922 -31.642 1.00 0.00 O ATOM 778 OE2 GLU A 54 -2.572 25.047 -32.488 1.00 0.00 O ATOM 0 H GLU A 54 -7.423 25.666 -31.587 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.600 27.232 -34.009 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.218 27.217 -33.922 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.766 27.380 -32.265 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.416 24.933 -31.929 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.826 24.803 -33.574 1.00 0.00 H new ATOM 785 N ILE A 55 -7.181 23.991 -34.096 1.00 0.00 N ATOM 786 CA ILE A 55 -7.164 22.828 -34.974 1.00 0.00 C ATOM 787 C ILE A 55 -8.433 22.755 -35.817 1.00 0.00 C ATOM 788 O ILE A 55 -8.427 22.215 -36.922 1.00 0.00 O ATOM 789 CB ILE A 55 -7.018 21.520 -34.173 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.080 21.449 -33.074 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.622 21.418 -33.576 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.198 20.082 -32.436 1.00 0.00 C ATOM 0 H ILE A 55 -7.242 23.769 -33.102 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.301 22.942 -35.630 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.165 20.678 -34.849 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.843 22.182 -32.303 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.046 21.730 -33.494 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.534 20.489 -33.013 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.882 21.429 -34.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.448 22.263 -32.910 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.969 20.105 -31.666 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.466 19.348 -33.196 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.244 19.807 -31.986 1.00 0.00 H new ATOM 804 N GLY A 56 -9.521 23.306 -35.287 1.00 0.00 N ATOM 805 CA GLY A 56 -10.782 23.295 -36.004 1.00 0.00 C ATOM 806 C GLY A 56 -11.963 23.013 -35.097 1.00 0.00 C ATOM 807 O GLY A 56 -13.020 23.630 -35.233 1.00 0.00 O ATOM 0 H GLY A 56 -9.551 23.760 -34.374 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.926 24.258 -36.494 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.743 22.540 -36.790 1.00 0.00 H new ATOM 811 N ILE A 57 -11.784 22.078 -34.170 1.00 0.00 N ATOM 812 CA ILE A 57 -12.844 21.716 -33.237 1.00 0.00 C ATOM 813 C ILE A 57 -13.406 22.949 -32.537 1.00 0.00 C ATOM 814 O ILE A 57 -12.728 23.577 -31.724 1.00 0.00 O ATOM 815 CB ILE A 57 -12.343 20.720 -32.174 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.775 19.468 -32.845 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.469 20.352 -31.220 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.190 18.471 -31.869 1.00 0.00 C ATOM 0 H ILE A 57 -10.916 21.558 -34.045 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.632 21.243 -33.823 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.547 21.194 -31.599 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.565 18.983 -33.418 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.003 19.765 -33.555 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.099 19.648 -30.475 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.832 21.251 -30.721 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.285 19.894 -31.779 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.806 17.609 -32.415 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.378 18.939 -31.313 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.964 18.145 -31.174 1.00 0.00 H new ATOM 830 N LEU A 58 -14.650 23.288 -32.858 1.00 0.00 N ATOM 831 CA LEU A 58 -15.305 24.446 -32.258 1.00 0.00 C ATOM 832 C LEU A 58 -16.258 24.017 -31.147 1.00 0.00 C ATOM 833 O LEU A 58 -16.498 24.764 -30.199 1.00 0.00 O ATOM 834 CB LEU A 58 -16.069 25.233 -33.324 1.00 0.00 C ATOM 835 CG LEU A 58 -15.298 25.549 -34.606 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.127 26.433 -35.524 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.969 26.214 -34.280 1.00 0.00 C ATOM 0 H LEU A 58 -15.225 22.779 -33.529 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.535 25.085 -31.825 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.963 24.670 -33.591 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.403 26.173 -32.884 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.095 24.612 -35.124 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.562 26.647 -36.431 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.052 25.919 -35.786 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.363 27.367 -35.014 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.434 26.431 -35.205 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.150 27.143 -33.739 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.369 25.545 -33.663 1.00 0.00 H new ATOM 849 N ASN A 59 -16.796 22.808 -31.270 1.00 0.00 N ATOM 850 CA ASN A 59 -17.722 22.279 -30.274 1.00 0.00 C ATOM 851 C ASN A 59 -17.128 22.377 -28.873 1.00 0.00 C ATOM 852 O ASN A 59 -16.246 21.602 -28.505 1.00 0.00 O ATOM 853 CB ASN A 59 -18.067 20.823 -30.593 1.00 0.00 C ATOM 854 CG ASN A 59 -19.339 20.695 -31.409 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.294 20.484 -32.621 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.483 20.824 -30.746 1.00 0.00 N ATOM 0 H ASN A 59 -16.607 22.176 -32.048 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.632 22.877 -30.306 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.241 20.368 -31.140 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.178 20.267 -29.662 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.371 20.749 -31.242 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.473 20.998 -29.741 1.00 0.00 H new ATOM 863 N SER A 60 -17.618 23.337 -28.094 1.00 0.00 N ATOM 864 CA SER A 60 -17.134 23.540 -26.734 1.00 0.00 C ATOM 865 C SER A 60 -17.461 22.336 -25.856 1.00 0.00 C ATOM 866 O SER A 60 -16.735 22.026 -24.912 1.00 0.00 O ATOM 867 CB SER A 60 -17.750 24.805 -26.134 1.00 0.00 C ATOM 868 OG SER A 60 -17.021 25.958 -26.515 1.00 0.00 O ATOM 0 H SER A 60 -18.350 23.986 -28.382 1.00 0.00 H new ATOM 0 HA SER A 60 -16.051 23.656 -26.774 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.785 24.900 -26.463 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.767 24.725 -25.047 1.00 0.00 H new ATOM 0 HG SER A 60 -17.436 26.753 -26.120 1.00 0.00 H new ATOM 874 N GLY A 61 -18.560 21.659 -26.175 1.00 0.00 N ATOM 875 CA GLY A 61 -18.965 20.497 -25.406 1.00 0.00 C ATOM 876 C GLY A 61 -18.002 19.336 -25.559 1.00 0.00 C ATOM 877 O GLY A 61 -17.920 18.469 -24.689 1.00 0.00 O ATOM 0 H GLY A 61 -19.177 21.895 -26.952 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.037 20.769 -24.353 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.960 20.184 -25.723 1.00 0.00 H new ATOM 881 N HIS A 62 -17.271 19.318 -26.669 1.00 0.00 N ATOM 882 CA HIS A 62 -16.309 18.254 -26.934 1.00 0.00 C ATOM 883 C HIS A 62 -14.915 18.652 -26.458 1.00 0.00 C ATOM 884 O HIS A 62 -14.167 17.825 -25.937 1.00 0.00 O ATOM 885 CB HIS A 62 -16.277 17.926 -28.427 1.00 0.00 C ATOM 886 CG HIS A 62 -17.548 17.317 -28.933 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.706 16.874 -30.229 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.725 17.076 -28.309 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.925 16.389 -30.381 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.564 16.499 -29.230 1.00 0.00 N ATOM 0 H HIS A 62 -17.326 20.028 -27.399 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.623 17.368 -26.382 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.073 18.839 -28.987 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.452 17.241 -28.623 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.960 17.297 -27.278 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.331 15.973 -31.292 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.524 16.203 -29.054 1.00 0.00 H new ATOM 898 N ARG A 63 -14.572 19.923 -26.643 1.00 0.00 N ATOM 899 CA ARG A 63 -13.267 20.429 -26.235 1.00 0.00 C ATOM 900 C ARG A 63 -12.987 20.095 -24.773 1.00 0.00 C ATOM 901 O ARG A 63 -11.886 19.672 -24.424 1.00 0.00 O ATOM 902 CB ARG A 63 -13.195 21.943 -26.446 1.00 0.00 C ATOM 903 CG ARG A 63 -12.974 22.346 -27.895 1.00 0.00 C ATOM 904 CD ARG A 63 -12.485 23.781 -28.006 1.00 0.00 C ATOM 905 NE ARG A 63 -13.470 24.735 -27.503 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.167 25.972 -27.122 1.00 0.00 C ATOM 907 NH1 ARG A 63 -11.915 26.401 -27.187 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.119 26.781 -26.675 1.00 0.00 N ATOM 0 H ARG A 63 -15.180 20.621 -27.073 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.509 19.946 -26.852 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.120 22.396 -26.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.386 22.348 -25.838 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.246 21.676 -28.353 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.905 22.234 -28.451 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.555 23.891 -27.448 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.260 24.008 -29.048 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.443 24.436 -27.441 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.181 25.782 -27.530 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.685 27.351 -26.894 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.084 26.454 -26.624 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.886 27.730 -26.383 1.00 0.00 H new ATOM 922 N GLN A 64 -13.991 20.289 -23.924 1.00 0.00 N ATOM 923 CA GLN A 64 -13.852 20.010 -22.500 1.00 0.00 C ATOM 924 C GLN A 64 -13.615 18.523 -22.258 1.00 0.00 C ATOM 925 O GLN A 64 -12.773 18.143 -21.444 1.00 0.00 O ATOM 926 CB GLN A 64 -15.099 20.470 -21.744 1.00 0.00 C ATOM 927 CG GLN A 64 -16.389 19.857 -22.267 1.00 0.00 C ATOM 928 CD GLN A 64 -17.622 20.437 -21.603 1.00 0.00 C ATOM 929 OE1 GLN A 64 -18.339 21.244 -22.195 1.00 0.00 O ATOM 930 NE2 GLN A 64 -17.876 20.027 -20.366 1.00 0.00 N ATOM 0 H GLN A 64 -14.909 20.638 -24.198 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.988 20.562 -22.130 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.988 20.218 -20.689 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.171 21.556 -21.806 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -16.452 20.016 -23.343 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.367 18.779 -22.105 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.255 19.357 -19.913 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -18.692 20.382 -19.868 1.00 0.00 H new ATOM 939 N ARG A 65 -14.365 17.686 -22.968 1.00 0.00 N ATOM 940 CA ARG A 65 -14.238 16.240 -22.829 1.00 0.00 C ATOM 941 C ARG A 65 -12.821 15.784 -23.165 1.00 0.00 C ATOM 942 O ARG A 65 -12.248 14.943 -22.472 1.00 0.00 O ATOM 943 CB ARG A 65 -15.243 15.529 -23.736 1.00 0.00 C ATOM 944 CG ARG A 65 -16.463 15.002 -22.999 1.00 0.00 C ATOM 945 CD ARG A 65 -17.472 14.389 -23.957 1.00 0.00 C ATOM 946 NE ARG A 65 -18.459 13.567 -23.261 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.635 13.235 -23.781 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.970 13.651 -24.994 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.480 12.484 -23.085 1.00 0.00 N ATOM 0 H ARG A 65 -15.067 17.984 -23.645 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.448 15.980 -21.792 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.569 16.219 -24.514 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.744 14.699 -24.236 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.153 14.255 -22.268 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.933 15.814 -22.445 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.982 15.183 -24.503 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.948 13.780 -24.694 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.233 13.230 -22.325 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.324 14.228 -25.532 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.874 13.394 -25.390 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.226 12.162 -22.151 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.383 12.229 -23.484 1.00 0.00 H new ATOM 963 N ILE A 66 -12.262 16.344 -24.232 1.00 0.00 N ATOM 964 CA ILE A 66 -10.913 15.996 -24.660 1.00 0.00 C ATOM 965 C ILE A 66 -9.870 16.547 -23.693 1.00 0.00 C ATOM 966 O ILE A 66 -8.910 15.861 -23.340 1.00 0.00 O ATOM 967 CB ILE A 66 -10.616 16.526 -26.075 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.661 16.011 -27.066 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.217 16.116 -26.511 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.611 16.702 -28.411 1.00 0.00 C ATOM 0 H ILE A 66 -12.723 17.041 -24.817 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.857 14.908 -24.670 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.666 17.615 -26.057 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.516 14.940 -27.211 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.654 16.143 -26.636 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.022 16.498 -27.513 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.484 16.527 -25.817 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.141 15.029 -26.516 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.380 16.286 -29.062 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.786 17.770 -28.278 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.631 16.549 -28.863 1.00 0.00 H new ATOM 982 N LEU A 67 -10.066 17.789 -23.266 1.00 0.00 N ATOM 983 CA LEU A 67 -9.144 18.434 -22.338 1.00 0.00 C ATOM 984 C LEU A 67 -8.913 17.563 -21.107 1.00 0.00 C ATOM 985 O LEU A 67 -7.811 17.525 -20.560 1.00 0.00 O ATOM 986 CB LEU A 67 -9.686 19.800 -21.915 1.00 0.00 C ATOM 987 CG LEU A 67 -9.281 20.984 -22.793 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.356 22.059 -22.769 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.945 21.553 -22.337 1.00 0.00 C ATOM 0 H LEU A 67 -10.856 18.370 -23.548 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.191 18.571 -22.849 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.774 19.746 -21.893 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.356 20.000 -20.896 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.172 20.631 -23.819 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.050 22.894 -23.400 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.292 21.646 -23.143 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.497 22.409 -21.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.672 22.395 -22.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.027 21.890 -21.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.178 20.782 -22.407 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.959 16.863 -20.679 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.868 15.991 -19.514 1.00 0.00 C ATOM 1003 C GLN A 68 -8.922 14.825 -19.779 1.00 0.00 C ATOM 1004 O GLN A 68 -7.940 14.634 -19.061 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.254 15.463 -19.137 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.651 15.768 -17.701 1.00 0.00 C ATOM 1007 CD GLN A 68 -13.031 15.246 -17.354 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.991 16.012 -17.260 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.138 13.937 -17.162 1.00 0.00 N ATOM 0 H GLN A 68 -10.878 16.883 -21.121 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.471 16.576 -18.684 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.994 15.896 -19.810 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.277 14.384 -19.290 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.919 15.327 -17.024 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.624 16.846 -17.542 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.316 13.340 -17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.042 13.528 -16.926 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.224 14.047 -20.814 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.399 12.901 -21.174 1.00 0.00 C ATOM 1020 C ALA A 69 -6.942 13.309 -21.359 1.00 0.00 C ATOM 1021 O ALA A 69 -6.029 12.563 -21.004 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.930 12.246 -22.441 1.00 0.00 C ATOM 0 H ALA A 69 -10.034 14.190 -21.417 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.446 12.180 -20.357 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.304 11.391 -22.698 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.953 11.910 -22.275 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.913 12.967 -23.258 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.731 14.497 -21.915 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.384 15.004 -22.146 1.00 0.00 C ATOM 1030 C ILE A 70 -4.666 15.277 -20.829 1.00 0.00 C ATOM 1031 O ILE A 70 -3.449 15.120 -20.731 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.405 16.296 -22.984 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -6.067 16.040 -24.340 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.992 16.829 -23.171 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.674 17.280 -24.959 1.00 0.00 C ATOM 0 H ILE A 70 -7.476 15.127 -22.214 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.846 14.232 -22.697 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.989 17.047 -22.452 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.326 15.627 -25.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.845 15.286 -24.219 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.023 17.742 -23.765 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.553 17.045 -22.197 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.387 16.082 -23.685 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.125 17.024 -25.918 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.438 17.682 -24.294 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.896 18.028 -25.112 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.428 15.684 -19.819 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.864 15.978 -18.507 1.00 0.00 C ATOM 1049 C GLN A 71 -4.431 14.697 -17.802 1.00 0.00 C ATOM 1050 O GLN A 71 -3.533 14.713 -16.958 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.883 16.728 -17.647 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.823 18.238 -17.812 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.870 18.972 -16.486 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.807 19.722 -16.212 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -4.856 18.760 -15.656 1.00 0.00 N ATOM 0 H GLN A 71 -6.437 15.818 -19.884 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.986 16.608 -18.649 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.885 16.382 -17.901 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.716 16.478 -16.599 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.907 18.506 -18.339 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.656 18.565 -18.434 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.100 18.130 -15.925 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.833 19.227 -14.750 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.074 13.588 -18.151 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.756 12.297 -17.552 1.00 0.00 C ATOM 1066 C LEU A 72 -3.566 11.650 -18.253 1.00 0.00 C ATOM 1067 O LEU A 72 -2.852 10.837 -17.664 1.00 0.00 O ATOM 1068 CB LEU A 72 -5.969 11.368 -17.618 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.251 11.890 -16.968 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.422 10.972 -17.283 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.068 12.027 -15.463 1.00 0.00 C ATOM 0 H LEU A 72 -5.819 13.557 -18.847 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.492 12.464 -16.508 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.179 11.151 -18.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.704 10.423 -17.144 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.468 12.876 -17.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.325 11.360 -16.812 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.567 10.925 -18.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.214 9.973 -16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.990 12.400 -15.017 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.826 11.054 -15.036 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.257 12.726 -15.257 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.357 12.017 -19.512 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.252 11.473 -20.294 1.00 0.00 C ATOM 1085 C LEU A 73 -0.931 11.619 -19.545 1.00 0.00 C ATOM 1086 O LEU A 73 -0.790 12.442 -18.640 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.163 12.179 -21.648 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.094 11.653 -22.741 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.027 12.542 -23.973 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.740 10.217 -23.098 1.00 0.00 C ATOM 0 H LEU A 73 -3.938 12.689 -20.014 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.442 10.412 -20.456 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.373 13.238 -21.498 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.136 12.106 -22.007 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.115 11.671 -22.360 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.696 12.152 -24.740 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.330 13.555 -23.708 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.006 12.557 -24.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.413 9.859 -23.877 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.712 10.174 -23.458 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.841 9.587 -22.214 1.00 0.00 H new ATOM 1102 N PRO A 74 0.062 10.804 -19.931 1.00 0.00 N ATOM 1103 CA PRO A 74 1.390 10.825 -19.310 1.00 0.00 C ATOM 1104 C PRO A 74 2.167 12.092 -19.648 1.00 0.00 C ATOM 1105 O PRO A 74 2.023 12.649 -20.736 1.00 0.00 O ATOM 1106 CB PRO A 74 2.081 9.598 -19.909 1.00 0.00 C ATOM 1107 CG PRO A 74 1.391 9.372 -21.211 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.036 9.799 -21.002 1.00 0.00 C ATOM 0 HA PRO A 74 1.332 10.809 -18.222 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.147 9.774 -20.051 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.986 8.731 -19.255 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.859 9.951 -22.007 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.446 8.324 -21.505 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.466 10.221 -21.910 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.668 8.960 -20.709 1.00 0.00 H new