USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 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 154:sc= 1.32 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.116 X(o=1.7,f=1.9) USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.465 K(o=1.7,f=-6.5!) 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 K(o=0,f=-0.93) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 26 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.75) 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=-0.079) USER MOD Single : A 32 MET CE :methyl 177:sc= 0 (180deg=-0.0112) USER MOD Single : A 34 ASN : amide:sc= 0.174 K(o=0.17,f=-0.58) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 42 MET CE :methyl -165:sc= -1.01 (180deg=-1.91) USER MOD Single : A 47 MET CE :methyl -167:sc= -3.47! (180deg=-4.55!) USER MOD Single : A 50 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.018) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.737 3.782 -25.687 1.00 0.00 N ATOM 146 CA GLN A 13 -1.886 3.934 -26.572 1.00 0.00 C ATOM 147 C GLN A 13 -1.581 4.919 -27.696 1.00 0.00 C ATOM 148 O GLN A 13 -0.603 5.664 -27.635 1.00 0.00 O ATOM 149 CB GLN A 13 -3.107 4.408 -25.780 1.00 0.00 C ATOM 150 CG GLN A 13 -2.944 5.797 -25.186 1.00 0.00 C ATOM 151 CD GLN A 13 -3.676 5.957 -23.867 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.074 6.295 -22.848 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.981 5.714 -23.881 1.00 0.00 N ATOM 0 HA GLN A 13 -2.103 2.962 -27.014 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.979 4.402 -26.434 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.306 3.699 -24.976 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.884 6.002 -25.036 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.315 6.537 -25.895 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.439 5.436 -24.749 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.526 5.805 -23.024 1.00 0.00 H new ATOM 162 N THR A 14 -2.425 4.916 -28.723 1.00 0.00 N ATOM 163 CA THR A 14 -2.245 5.807 -29.862 1.00 0.00 C ATOM 164 C THR A 14 -3.375 6.827 -29.947 1.00 0.00 C ATOM 165 O THR A 14 -4.425 6.657 -29.328 1.00 0.00 O ATOM 166 CB THR A 14 -2.177 5.021 -31.185 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.468 4.492 -31.507 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.168 3.887 -31.091 1.00 0.00 C ATOM 0 H THR A 14 -3.240 4.306 -28.789 1.00 0.00 H new ATOM 0 HA THR A 14 -1.300 6.328 -29.709 1.00 0.00 H new ATOM 0 HB THR A 14 -1.858 5.705 -31.972 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.417 3.995 -32.350 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.138 3.347 -32.037 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.181 4.295 -30.875 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.461 3.205 -30.293 1.00 0.00 H new ATOM 176 N VAL A 15 -3.153 7.887 -30.718 1.00 0.00 N ATOM 177 CA VAL A 15 -4.154 8.933 -30.885 1.00 0.00 C ATOM 178 C VAL A 15 -5.496 8.348 -31.312 1.00 0.00 C ATOM 179 O VAL A 15 -6.550 8.779 -30.846 1.00 0.00 O ATOM 180 CB VAL A 15 -3.707 9.977 -31.926 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.764 11.059 -32.086 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.368 10.582 -31.532 1.00 0.00 C ATOM 0 H VAL A 15 -2.289 8.044 -31.237 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.266 9.421 -29.917 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.586 9.477 -32.887 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.430 11.787 -32.825 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.699 10.608 -32.417 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.921 11.558 -31.130 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.067 11.317 -32.278 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.460 11.068 -30.561 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.616 9.795 -31.474 1.00 0.00 H new ATOM 192 N GLY A 16 -5.448 7.361 -32.202 1.00 0.00 N ATOM 193 CA GLY A 16 -6.666 6.731 -32.677 1.00 0.00 C ATOM 194 C GLY A 16 -7.468 6.100 -31.556 1.00 0.00 C ATOM 195 O GLY A 16 -8.578 6.538 -31.256 1.00 0.00 O ATOM 0 H GLY A 16 -4.588 6.987 -32.602 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.281 7.473 -33.186 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.413 5.968 -33.413 1.00 0.00 H new ATOM 199 N GLN A 17 -6.905 5.067 -30.938 1.00 0.00 N ATOM 200 CA GLN A 17 -7.576 4.372 -29.845 1.00 0.00 C ATOM 201 C GLN A 17 -7.890 5.332 -28.702 1.00 0.00 C ATOM 202 O GLN A 17 -8.881 5.162 -27.991 1.00 0.00 O ATOM 203 CB GLN A 17 -6.709 3.220 -29.336 1.00 0.00 C ATOM 204 CG GLN A 17 -6.526 2.102 -30.350 1.00 0.00 C ATOM 205 CD GLN A 17 -5.574 1.026 -29.867 1.00 0.00 C ATOM 206 OE1 GLN A 17 -4.994 1.134 -28.786 1.00 0.00 O ATOM 207 NE2 GLN A 17 -5.407 -0.020 -30.668 1.00 0.00 N ATOM 0 H GLN A 17 -5.986 4.693 -31.175 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.515 3.969 -30.226 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.730 3.609 -29.056 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.159 2.809 -28.432 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.495 1.653 -30.569 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.151 2.521 -31.284 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.908 -0.068 -31.555 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.778 -0.775 -30.396 1.00 0.00 H new ATOM 216 N TRP A 18 -7.041 6.338 -28.531 1.00 0.00 N ATOM 217 CA TRP A 18 -7.228 7.324 -27.473 1.00 0.00 C ATOM 218 C TRP A 18 -8.552 8.060 -27.643 1.00 0.00 C ATOM 219 O TRP A 18 -9.304 8.236 -26.683 1.00 0.00 O ATOM 220 CB TRP A 18 -6.071 8.325 -27.470 1.00 0.00 C ATOM 221 CG TRP A 18 -6.243 9.429 -26.471 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.287 9.305 -25.112 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.397 10.824 -26.754 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.458 10.539 -24.532 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.528 11.488 -25.518 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.434 11.578 -27.930 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.695 12.867 -25.429 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.600 12.946 -27.839 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.728 13.580 -26.596 1.00 0.00 C ATOM 0 H TRP A 18 -6.216 6.493 -29.111 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.246 6.797 -26.519 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.142 7.795 -27.259 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.972 8.758 -28.465 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.200 8.374 -24.572 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.522 10.719 -23.530 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.335 11.099 -28.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.795 13.357 -24.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.632 13.538 -28.742 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.855 14.652 -26.559 1.00 0.00 H new ATOM 240 N LEU A 19 -8.833 8.488 -28.869 1.00 0.00 N ATOM 241 CA LEU A 19 -10.068 9.206 -29.164 1.00 0.00 C ATOM 242 C LEU A 19 -11.278 8.286 -29.029 1.00 0.00 C ATOM 243 O LEU A 19 -12.353 8.717 -28.614 1.00 0.00 O ATOM 244 CB LEU A 19 -10.015 9.793 -30.576 1.00 0.00 C ATOM 245 CG LEU A 19 -9.083 10.989 -30.771 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.529 11.008 -32.187 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.811 12.289 -30.463 1.00 0.00 C ATOM 0 H LEU A 19 -8.223 8.350 -29.674 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.169 10.017 -28.443 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.711 9.005 -31.264 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.023 10.093 -30.861 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.248 10.891 -30.077 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.868 11.866 -32.308 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.970 10.091 -32.371 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.351 11.081 -32.899 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.132 13.129 -30.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.666 12.394 -31.131 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.158 12.276 -29.430 1.00 0.00 H new ATOM 259 N GLU A 20 -11.092 7.017 -29.379 1.00 0.00 N ATOM 260 CA GLU A 20 -12.169 6.037 -29.295 1.00 0.00 C ATOM 261 C GLU A 20 -12.654 5.884 -27.856 1.00 0.00 C ATOM 262 O GLU A 20 -13.804 5.518 -27.613 1.00 0.00 O ATOM 263 CB GLU A 20 -11.699 4.684 -29.833 1.00 0.00 C ATOM 264 CG GLU A 20 -11.285 4.720 -31.294 1.00 0.00 C ATOM 265 CD GLU A 20 -11.830 3.546 -32.084 1.00 0.00 C ATOM 266 OE1 GLU A 20 -12.000 2.460 -31.491 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.086 3.712 -33.295 1.00 0.00 O ATOM 0 H GLU A 20 -10.207 6.644 -29.723 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.000 6.394 -29.904 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.857 4.337 -29.234 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.500 3.955 -29.709 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.634 5.649 -31.744 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.197 4.723 -31.359 1.00 0.00 H new ATOM 274 N SER A 21 -11.769 6.167 -26.906 1.00 0.00 N ATOM 275 CA SER A 21 -12.104 6.057 -25.491 1.00 0.00 C ATOM 276 C SER A 21 -13.073 7.160 -25.075 1.00 0.00 C ATOM 277 O SER A 21 -14.199 6.888 -24.660 1.00 0.00 O ATOM 278 CB SER A 21 -10.836 6.128 -24.638 1.00 0.00 C ATOM 279 OG SER A 21 -11.086 6.785 -23.407 1.00 0.00 O ATOM 0 H SER A 21 -10.814 6.474 -27.090 1.00 0.00 H new ATOM 0 HA SER A 21 -12.587 5.093 -25.331 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.465 5.121 -24.448 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.055 6.657 -25.184 1.00 0.00 H new ATOM 0 HG SER A 21 -10.261 6.816 -22.879 1.00 0.00 H new ATOM 285 N ILE A 22 -12.626 8.406 -25.191 1.00 0.00 N ATOM 286 CA ILE A 22 -13.452 9.551 -24.828 1.00 0.00 C ATOM 287 C ILE A 22 -14.812 9.486 -25.514 1.00 0.00 C ATOM 288 O ILE A 22 -15.817 9.938 -24.968 1.00 0.00 O ATOM 289 CB ILE A 22 -12.767 10.880 -25.197 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.332 10.865 -26.664 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.573 11.130 -24.287 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.702 12.162 -27.120 1.00 0.00 C ATOM 0 H ILE A 22 -11.696 8.648 -25.534 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.589 9.511 -23.747 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.482 11.691 -25.058 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.622 10.052 -26.816 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.199 10.652 -27.290 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.099 12.073 -24.560 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.909 11.179 -23.251 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.855 10.317 -24.397 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.418 12.080 -28.169 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.417 12.976 -27.001 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.816 12.367 -26.519 1.00 0.00 H new ATOM 304 N GLY A 23 -14.836 8.917 -26.716 1.00 0.00 N ATOM 305 CA GLY A 23 -16.079 8.802 -27.457 1.00 0.00 C ATOM 306 C GLY A 23 -16.200 9.843 -28.552 1.00 0.00 C ATOM 307 O GLY A 23 -17.260 10.442 -28.735 1.00 0.00 O ATOM 0 H GLY A 23 -14.018 8.534 -27.189 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.145 7.807 -27.897 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.919 8.903 -26.770 1.00 0.00 H new ATOM 311 N LEU A 24 -15.111 10.062 -29.281 1.00 0.00 N ATOM 312 CA LEU A 24 -15.099 11.040 -30.364 1.00 0.00 C ATOM 313 C LEU A 24 -14.091 10.649 -31.439 1.00 0.00 C ATOM 314 O LEU A 24 -13.066 11.304 -31.632 1.00 0.00 O ATOM 315 CB LEU A 24 -14.767 12.430 -29.818 1.00 0.00 C ATOM 316 CG LEU A 24 -15.804 13.048 -28.879 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.230 14.272 -28.182 1.00 0.00 C ATOM 318 CD2 LEU A 24 -17.067 13.412 -29.646 1.00 0.00 C ATOM 0 H LEU A 24 -14.225 9.576 -29.142 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.092 11.061 -30.814 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.816 12.373 -29.289 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.622 13.105 -30.662 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.064 12.311 -28.119 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.982 14.699 -27.518 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.355 13.983 -27.601 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.942 15.013 -28.927 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.794 13.850 -28.962 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.823 14.132 -30.427 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.489 12.515 -30.098 1.00 0.00 H new ATOM 330 N PRO A 25 -14.387 9.558 -32.160 1.00 0.00 N ATOM 331 CA PRO A 25 -13.520 9.057 -33.231 1.00 0.00 C ATOM 332 C PRO A 25 -13.511 9.976 -34.447 1.00 0.00 C ATOM 333 O PRO A 25 -12.573 9.957 -35.244 1.00 0.00 O ATOM 334 CB PRO A 25 -14.143 7.705 -33.588 1.00 0.00 C ATOM 335 CG PRO A 25 -15.573 7.829 -33.190 1.00 0.00 C ATOM 336 CD PRO A 25 -15.591 8.728 -31.985 1.00 0.00 C ATOM 0 HA PRO A 25 -12.479 8.993 -32.916 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.046 7.493 -34.653 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.653 6.890 -33.055 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.168 8.250 -34.000 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.999 6.853 -32.955 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.496 9.335 -31.950 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.554 8.157 -31.057 1.00 0.00 H new ATOM 344 N GLN A 26 -14.560 10.781 -34.583 1.00 0.00 N ATOM 345 CA GLN A 26 -14.671 11.708 -35.703 1.00 0.00 C ATOM 346 C GLN A 26 -13.454 12.625 -35.774 1.00 0.00 C ATOM 347 O GLN A 26 -13.101 13.123 -36.843 1.00 0.00 O ATOM 348 CB GLN A 26 -15.946 12.543 -35.576 1.00 0.00 C ATOM 349 CG GLN A 26 -15.938 13.491 -34.388 1.00 0.00 C ATOM 350 CD GLN A 26 -17.332 13.917 -33.971 1.00 0.00 C ATOM 351 OE1 GLN A 26 -18.268 13.885 -34.770 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.478 14.318 -32.713 1.00 0.00 N ATOM 0 H GLN A 26 -15.345 10.810 -33.932 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.717 11.124 -36.622 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.084 13.121 -36.490 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.802 11.873 -35.490 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.443 13.008 -33.546 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.352 14.375 -34.638 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.675 14.329 -32.085 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.393 14.615 -32.375 1.00 0.00 H new ATOM 361 N TYR A 27 -12.817 12.843 -34.629 1.00 0.00 N ATOM 362 CA TYR A 27 -11.641 13.702 -34.561 1.00 0.00 C ATOM 363 C TYR A 27 -10.359 12.881 -34.668 1.00 0.00 C ATOM 364 O TYR A 27 -9.371 13.162 -33.991 1.00 0.00 O ATOM 365 CB TYR A 27 -11.641 14.499 -33.255 1.00 0.00 C ATOM 366 CG TYR A 27 -12.865 15.368 -33.076 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.365 16.124 -34.130 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.522 15.433 -31.854 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.483 16.919 -33.970 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.641 16.225 -31.685 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.118 16.967 -32.746 1.00 0.00 C ATOM 372 OH TYR A 27 -16.232 17.757 -32.584 1.00 0.00 O ATOM 0 H TYR A 27 -13.095 12.437 -33.736 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.679 14.394 -35.402 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.572 13.806 -32.416 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.751 15.128 -33.223 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.871 16.089 -35.090 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.151 14.854 -31.021 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.858 17.500 -34.799 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.140 16.263 -30.728 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.785 17.398 -31.859 1.00 0.00 H new ATOM 382 N GLU A 28 -10.386 11.865 -35.525 1.00 0.00 N ATOM 383 CA GLU A 28 -9.226 11.003 -35.722 1.00 0.00 C ATOM 384 C GLU A 28 -8.285 11.588 -36.770 1.00 0.00 C ATOM 385 O GLU A 28 -7.066 11.445 -36.674 1.00 0.00 O ATOM 386 CB GLU A 28 -9.672 9.601 -36.146 1.00 0.00 C ATOM 387 CG GLU A 28 -8.517 8.647 -36.402 1.00 0.00 C ATOM 388 CD GLU A 28 -8.983 7.243 -36.733 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.193 6.969 -36.583 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.140 6.418 -37.141 1.00 0.00 O ATOM 0 H GLU A 28 -11.197 11.619 -36.093 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.690 10.936 -34.775 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.313 9.182 -35.370 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.276 9.679 -37.050 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.911 9.028 -37.224 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.875 8.615 -35.522 1.00 0.00 H new ATOM 397 N ASN A 29 -8.859 12.246 -37.772 1.00 0.00 N ATOM 398 CA ASN A 29 -8.072 12.852 -38.839 1.00 0.00 C ATOM 399 C ASN A 29 -7.683 14.283 -38.483 1.00 0.00 C ATOM 400 O ASN A 29 -6.673 14.801 -38.962 1.00 0.00 O ATOM 401 CB ASN A 29 -8.857 12.837 -40.152 1.00 0.00 C ATOM 402 CG ASN A 29 -8.220 11.941 -41.197 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.387 10.722 -41.170 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.486 12.544 -42.125 1.00 0.00 N ATOM 0 H ASN A 29 -9.867 12.373 -37.867 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.161 12.266 -38.961 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.875 12.499 -39.959 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.927 13.852 -40.542 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.033 11.993 -42.855 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.375 13.558 -42.108 1.00 0.00 H new ATOM 411 N HIS A 30 -8.490 14.917 -37.638 1.00 0.00 N ATOM 412 CA HIS A 30 -8.230 16.289 -37.216 1.00 0.00 C ATOM 413 C HIS A 30 -6.823 16.423 -36.641 1.00 0.00 C ATOM 414 O HIS A 30 -5.986 17.148 -37.181 1.00 0.00 O ATOM 415 CB HIS A 30 -9.262 16.730 -36.178 1.00 0.00 C ATOM 416 CG HIS A 30 -10.543 17.221 -36.778 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.478 16.382 -37.346 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.043 18.473 -36.894 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.497 17.097 -37.788 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.258 18.369 -37.526 1.00 0.00 N ATOM 0 H HIS A 30 -9.329 14.503 -37.232 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.309 16.933 -38.092 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.479 15.893 -35.515 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.832 17.521 -35.563 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.574 19.384 -36.553 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.376 16.708 -38.280 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.875 19.148 -37.756 1.00 0.00 H new ATOM 428 N LEU A 31 -6.569 15.720 -35.543 1.00 0.00 N ATOM 429 CA LEU A 31 -5.263 15.760 -34.894 1.00 0.00 C ATOM 430 C LEU A 31 -4.161 15.338 -35.860 1.00 0.00 C ATOM 431 O LEU A 31 -3.147 16.022 -35.997 1.00 0.00 O ATOM 432 CB LEU A 31 -5.254 14.850 -33.664 1.00 0.00 C ATOM 433 CG LEU A 31 -6.048 15.348 -32.456 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.115 14.336 -32.065 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.118 15.624 -31.283 1.00 0.00 C ATOM 0 H LEU A 31 -7.250 15.115 -35.083 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.073 16.786 -34.581 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.646 13.875 -33.955 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.219 14.698 -33.356 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.542 16.280 -32.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.670 14.707 -31.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.799 14.187 -32.901 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.641 13.388 -31.810 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.700 15.978 -30.432 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.596 14.707 -31.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.391 16.385 -31.566 1.00 0.00 H new ATOM 447 N MET A 32 -4.368 14.209 -36.530 1.00 0.00 N ATOM 448 CA MET A 32 -3.394 13.698 -37.487 1.00 0.00 C ATOM 449 C MET A 32 -3.079 14.743 -38.552 1.00 0.00 C ATOM 450 O MET A 32 -1.986 14.756 -39.119 1.00 0.00 O ATOM 451 CB MET A 32 -3.917 12.421 -38.147 1.00 0.00 C ATOM 452 CG MET A 32 -3.912 11.214 -37.223 1.00 0.00 C ATOM 453 SD MET A 32 -2.313 10.382 -37.175 1.00 0.00 S ATOM 454 CE MET A 32 -2.426 9.523 -35.607 1.00 0.00 C ATOM 0 H MET A 32 -5.202 13.631 -36.428 1.00 0.00 H new ATOM 0 HA MET A 32 -2.476 13.468 -36.946 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.934 12.594 -38.500 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.309 12.200 -39.024 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.182 11.531 -36.216 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.675 10.508 -37.550 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.531 8.918 -35.458 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.511 10.250 -34.799 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.304 8.877 -35.608 1.00 0.00 H new ATOM 464 N ALA A 33 -4.042 15.618 -38.820 1.00 0.00 N ATOM 465 CA ALA A 33 -3.866 16.668 -39.816 1.00 0.00 C ATOM 466 C ALA A 33 -3.049 17.826 -39.254 1.00 0.00 C ATOM 467 O ALA A 33 -2.407 18.564 -40.000 1.00 0.00 O ATOM 468 CB ALA A 33 -5.219 17.163 -40.306 1.00 0.00 C ATOM 0 H ALA A 33 -4.953 15.621 -38.361 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.318 16.247 -40.659 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.072 17.947 -41.049 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.768 16.335 -40.755 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.787 17.562 -39.465 1.00 0.00 H new ATOM 474 N ASN A 34 -3.079 17.981 -37.935 1.00 0.00 N ATOM 475 CA ASN A 34 -2.342 19.051 -37.273 1.00 0.00 C ATOM 476 C ASN A 34 -0.992 18.550 -36.768 1.00 0.00 C ATOM 477 O ASN A 34 -0.445 19.079 -35.801 1.00 0.00 O ATOM 478 CB ASN A 34 -3.157 19.617 -36.109 1.00 0.00 C ATOM 479 CG ASN A 34 -4.253 20.556 -36.573 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.050 21.767 -36.665 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.423 20.001 -36.868 1.00 0.00 N ATOM 0 H ASN A 34 -3.606 17.379 -37.303 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.166 19.842 -38.002 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.600 18.796 -35.546 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.492 20.148 -35.428 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.198 20.583 -37.185 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.546 18.993 -36.777 1.00 0.00 H new ATOM 488 N GLY A 35 -0.461 17.526 -37.429 1.00 0.00 N ATOM 489 CA GLY A 35 0.820 16.971 -37.033 1.00 0.00 C ATOM 490 C GLY A 35 0.834 16.523 -35.585 1.00 0.00 C ATOM 491 O GLY A 35 1.813 16.740 -34.870 1.00 0.00 O ATOM 0 H GLY A 35 -0.895 17.071 -38.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.059 16.123 -37.675 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.599 17.717 -37.187 1.00 0.00 H new ATOM 495 N PHE A 36 -0.254 15.897 -35.150 1.00 0.00 N ATOM 496 CA PHE A 36 -0.364 15.419 -33.777 1.00 0.00 C ATOM 497 C PHE A 36 -0.462 13.897 -33.737 1.00 0.00 C ATOM 498 O PHE A 36 -1.501 13.340 -33.381 1.00 0.00 O ATOM 499 CB PHE A 36 -1.586 16.038 -33.096 1.00 0.00 C ATOM 500 CG PHE A 36 -1.304 17.364 -32.448 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.443 17.452 -31.366 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.901 18.521 -32.921 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.181 18.670 -30.768 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.643 19.742 -32.327 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.783 19.817 -31.249 1.00 0.00 C ATOM 0 H PHE A 36 -1.073 15.709 -35.729 1.00 0.00 H new ATOM 0 HA PHE A 36 0.535 15.722 -33.240 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.378 16.164 -33.834 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.961 15.346 -32.342 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.029 16.558 -30.985 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.575 18.468 -33.763 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.493 18.725 -29.926 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.114 20.637 -32.706 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.581 20.770 -30.783 1.00 0.00 H new ATOM 515 N ASP A 37 0.627 13.230 -34.105 1.00 0.00 N ATOM 516 CA ASP A 37 0.665 11.773 -34.111 1.00 0.00 C ATOM 517 C ASP A 37 1.279 11.240 -32.820 1.00 0.00 C ATOM 518 O ASP A 37 1.839 10.145 -32.793 1.00 0.00 O ATOM 519 CB ASP A 37 1.462 11.267 -35.315 1.00 0.00 C ATOM 520 CG ASP A 37 2.906 11.726 -35.287 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.141 12.952 -35.317 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.803 10.858 -35.235 1.00 0.00 O ATOM 0 H ASP A 37 1.495 13.676 -34.403 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.360 11.408 -34.183 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.430 10.178 -35.336 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.990 11.618 -36.233 1.00 0.00 H new ATOM 527 N ASN A 38 1.170 12.023 -31.752 1.00 0.00 N ATOM 528 CA ASN A 38 1.715 11.630 -30.457 1.00 0.00 C ATOM 529 C ASN A 38 0.606 11.495 -29.418 1.00 0.00 C ATOM 530 O ASN A 38 -0.501 11.999 -29.606 1.00 0.00 O ATOM 531 CB ASN A 38 2.750 12.654 -29.985 1.00 0.00 C ATOM 532 CG ASN A 38 3.655 13.121 -31.108 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.512 12.375 -31.581 1.00 0.00 O ATOM 534 ND2 ASN A 38 3.467 14.363 -31.541 1.00 0.00 N ATOM 0 H ASN A 38 0.710 12.933 -31.757 1.00 0.00 H new ATOM 0 HA ASN A 38 2.199 10.660 -30.573 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.236 13.514 -29.555 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.356 12.215 -29.192 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.045 14.733 -32.295 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.744 14.946 -31.119 1.00 0.00 H new ATOM 541 N VAL A 39 0.912 10.811 -28.320 1.00 0.00 N ATOM 542 CA VAL A 39 -0.058 10.610 -27.250 1.00 0.00 C ATOM 543 C VAL A 39 0.501 11.073 -25.909 1.00 0.00 C ATOM 544 O VAL A 39 -0.219 11.647 -25.091 1.00 0.00 O ATOM 545 CB VAL A 39 -0.472 9.131 -27.137 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.617 8.970 -26.149 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.855 8.580 -28.503 1.00 0.00 C ATOM 0 H VAL A 39 1.824 10.387 -28.148 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.935 11.206 -27.502 1.00 0.00 H new ATOM 0 HB VAL A 39 0.379 8.561 -26.765 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.895 7.918 -26.083 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.303 9.325 -25.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.474 9.552 -26.488 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.145 7.534 -28.405 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.691 9.152 -28.905 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.004 8.659 -29.179 1.00 0.00 H new ATOM 557 N GLN A 40 1.787 10.821 -25.691 1.00 0.00 N ATOM 558 CA GLN A 40 2.442 11.212 -24.448 1.00 0.00 C ATOM 559 C GLN A 40 2.833 12.686 -24.480 1.00 0.00 C ATOM 560 O GLN A 40 2.841 13.359 -23.449 1.00 0.00 O ATOM 561 CB GLN A 40 3.681 10.348 -24.205 1.00 0.00 C ATOM 562 CG GLN A 40 4.676 10.377 -25.354 1.00 0.00 C ATOM 563 CD GLN A 40 4.914 9.005 -25.954 1.00 0.00 C ATOM 564 OE1 GLN A 40 3.971 8.266 -26.236 1.00 0.00 O ATOM 565 NE2 GLN A 40 6.180 8.657 -26.152 1.00 0.00 N ATOM 0 H GLN A 40 2.396 10.348 -26.358 1.00 0.00 H new ATOM 0 HA GLN A 40 1.737 11.059 -23.631 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.178 10.687 -23.296 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.368 9.318 -24.032 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.310 11.050 -26.129 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.623 10.784 -24.999 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.931 9.301 -25.904 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.402 7.746 -26.553 1.00 0.00 H new ATOM 574 N PHE A 41 3.159 13.181 -25.669 1.00 0.00 N ATOM 575 CA PHE A 41 3.553 14.575 -25.835 1.00 0.00 C ATOM 576 C PHE A 41 2.362 15.506 -25.622 1.00 0.00 C ATOM 577 O PHE A 41 2.527 16.664 -25.241 1.00 0.00 O ATOM 578 CB PHE A 41 4.145 14.798 -27.228 1.00 0.00 C ATOM 579 CG PHE A 41 5.537 14.253 -27.381 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.741 12.926 -27.727 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.640 15.066 -27.181 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.020 12.422 -27.868 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.921 14.568 -27.321 1.00 0.00 C ATOM 584 CZ PHE A 41 8.112 13.244 -27.666 1.00 0.00 C ATOM 0 H PHE A 41 3.158 12.637 -26.532 1.00 0.00 H new ATOM 0 HA PHE A 41 4.310 14.804 -25.085 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.497 14.330 -27.969 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.156 15.867 -27.443 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.891 12.279 -27.888 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.497 16.102 -26.912 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.166 11.386 -28.136 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.772 15.213 -27.161 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.112 12.852 -27.778 1.00 0.00 H new ATOM 594 N MET A 42 1.163 14.990 -25.872 1.00 0.00 N ATOM 595 CA MET A 42 -0.055 15.774 -25.707 1.00 0.00 C ATOM 596 C MET A 42 -0.135 16.365 -24.303 1.00 0.00 C ATOM 597 O MET A 42 -0.684 17.449 -24.106 1.00 0.00 O ATOM 598 CB MET A 42 -1.286 14.907 -25.979 1.00 0.00 C ATOM 599 CG MET A 42 -1.725 14.916 -27.434 1.00 0.00 C ATOM 600 SD MET A 42 -3.443 14.407 -27.644 1.00 0.00 S ATOM 601 CE MET A 42 -3.321 13.408 -29.125 1.00 0.00 C ATOM 0 H MET A 42 1.009 14.033 -26.189 1.00 0.00 H new ATOM 0 HA MET A 42 -0.030 16.593 -26.426 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.072 13.881 -25.679 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.110 15.255 -25.357 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.594 15.918 -27.843 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.080 14.251 -28.008 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.317 13.242 -29.535 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.707 13.924 -29.863 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.865 12.449 -28.880 1.00 0.00 H new ATOM 643 N VAL A 46 0.614 21.598 -24.545 1.00 0.00 N ATOM 644 CA VAL A 46 0.183 21.489 -25.933 1.00 0.00 C ATOM 645 C VAL A 46 -1.216 20.888 -26.028 1.00 0.00 C ATOM 646 O VAL A 46 -1.627 20.110 -25.169 1.00 0.00 O ATOM 647 CB VAL A 46 1.157 20.626 -26.757 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.119 19.180 -26.288 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.830 20.723 -28.240 1.00 0.00 C ATOM 0 HA VAL A 46 0.170 22.500 -26.341 1.00 0.00 H new ATOM 0 HB VAL A 46 2.168 21.005 -26.605 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.814 18.586 -26.882 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.406 19.131 -25.238 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.110 18.785 -26.408 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.528 20.107 -28.807 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.187 20.371 -28.412 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.915 21.760 -28.564 1.00 0.00 H new ATOM 659 N MET A 47 -1.941 21.256 -27.080 1.00 0.00 N ATOM 660 CA MET A 47 -3.293 20.752 -27.288 1.00 0.00 C ATOM 661 C MET A 47 -4.220 21.199 -26.162 1.00 0.00 C ATOM 662 O MET A 47 -4.964 20.394 -25.602 1.00 0.00 O ATOM 663 CB MET A 47 -3.283 19.225 -27.380 1.00 0.00 C ATOM 664 CG MET A 47 -4.377 18.662 -28.273 1.00 0.00 C ATOM 665 SD MET A 47 -3.890 18.594 -30.008 1.00 0.00 S ATOM 666 CE MET A 47 -5.470 18.845 -30.813 1.00 0.00 C ATOM 0 H MET A 47 -1.615 21.900 -27.800 1.00 0.00 H new ATOM 0 HA MET A 47 -3.666 21.163 -28.226 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.314 18.898 -27.757 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.392 18.808 -26.379 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.638 17.660 -27.933 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.273 19.275 -28.175 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.382 18.602 -31.872 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.219 18.200 -30.354 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.773 19.886 -30.704 1.00 0.00 H new ATOM 676 N GLU A 48 -4.169 22.487 -25.835 1.00 0.00 N ATOM 677 CA GLU A 48 -5.003 23.039 -24.775 1.00 0.00 C ATOM 678 C GLU A 48 -6.385 23.408 -25.307 1.00 0.00 C ATOM 679 O GLU A 48 -6.700 23.161 -26.471 1.00 0.00 O ATOM 680 CB GLU A 48 -4.336 24.270 -24.159 1.00 0.00 C ATOM 681 CG GLU A 48 -2.884 24.046 -23.771 1.00 0.00 C ATOM 682 CD GLU A 48 -2.440 24.942 -22.632 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.822 26.131 -22.627 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.709 24.454 -21.744 1.00 0.00 O ATOM 0 H GLU A 48 -3.559 23.167 -26.289 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.120 22.276 -24.006 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.390 25.095 -24.869 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.897 24.572 -23.275 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.745 23.004 -23.484 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.248 24.225 -24.638 1.00 0.00 H new ATOM 691 N ASP A 49 -7.205 23.999 -24.445 1.00 0.00 N ATOM 692 CA ASP A 49 -8.554 24.403 -24.827 1.00 0.00 C ATOM 693 C ASP A 49 -8.528 25.253 -26.093 1.00 0.00 C ATOM 694 O ASP A 49 -9.386 25.112 -26.964 1.00 0.00 O ATOM 695 CB ASP A 49 -9.218 25.180 -23.689 1.00 0.00 C ATOM 696 CG ASP A 49 -10.687 25.449 -23.952 1.00 0.00 C ATOM 697 OD1 ASP A 49 -10.990 26.283 -24.831 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.533 24.825 -23.279 1.00 0.00 O ATOM 0 H ASP A 49 -6.960 24.209 -23.477 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.134 23.502 -25.028 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.115 24.618 -22.761 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.698 26.127 -23.548 1.00 0.00 H new ATOM 703 N GLN A 50 -7.539 26.136 -26.187 1.00 0.00 N ATOM 704 CA GLN A 50 -7.404 27.011 -27.346 1.00 0.00 C ATOM 705 C GLN A 50 -6.950 26.224 -28.572 1.00 0.00 C ATOM 706 O GLN A 50 -7.527 26.352 -29.652 1.00 0.00 O ATOM 707 CB GLN A 50 -6.409 28.135 -27.050 1.00 0.00 C ATOM 708 CG GLN A 50 -6.966 29.525 -27.312 1.00 0.00 C ATOM 709 CD GLN A 50 -8.028 29.927 -26.308 1.00 0.00 C ATOM 710 OE1 GLN A 50 -7.721 30.470 -25.247 1.00 0.00 O ATOM 711 NE2 GLN A 50 -9.286 29.661 -26.638 1.00 0.00 N ATOM 0 H GLN A 50 -6.820 26.264 -25.475 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.381 27.446 -27.557 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.097 28.068 -26.008 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.517 27.989 -27.659 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.152 30.250 -27.284 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.389 29.559 -28.316 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.495 29.209 -27.528 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.043 29.908 -26.001 1.00 0.00 H new ATOM 720 N ASP A 51 -5.915 25.411 -28.396 1.00 0.00 N ATOM 721 CA ASP A 51 -5.384 24.602 -29.488 1.00 0.00 C ATOM 722 C ASP A 51 -6.479 23.739 -30.107 1.00 0.00 C ATOM 723 O ASP A 51 -6.489 23.503 -31.316 1.00 0.00 O ATOM 724 CB ASP A 51 -4.242 23.717 -28.986 1.00 0.00 C ATOM 725 CG ASP A 51 -3.070 24.524 -28.463 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.243 24.970 -29.285 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.980 24.710 -27.231 1.00 0.00 O ATOM 0 H ASP A 51 -5.427 25.294 -27.508 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.001 25.276 -30.254 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.612 23.065 -28.195 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.902 23.073 -29.797 1.00 0.00 H new ATOM 732 N LEU A 52 -7.399 23.270 -29.271 1.00 0.00 N ATOM 733 CA LEU A 52 -8.498 22.432 -29.736 1.00 0.00 C ATOM 734 C LEU A 52 -9.458 23.229 -30.613 1.00 0.00 C ATOM 735 O LEU A 52 -10.135 22.671 -31.477 1.00 0.00 O ATOM 736 CB LEU A 52 -9.252 21.839 -28.544 1.00 0.00 C ATOM 737 CG LEU A 52 -8.491 20.803 -27.716 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.155 20.610 -26.361 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.406 19.480 -28.464 1.00 0.00 C ATOM 0 H LEU A 52 -7.405 23.456 -28.268 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.078 21.622 -30.333 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.548 22.655 -27.885 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.169 21.378 -28.912 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.478 21.170 -27.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.600 19.869 -25.786 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.163 21.557 -25.821 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.179 20.265 -26.504 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.861 18.755 -27.860 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.411 19.107 -28.659 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.884 19.629 -29.409 1.00 0.00 H new ATOM 751 N LEU A 53 -9.509 24.537 -30.388 1.00 0.00 N ATOM 752 CA LEU A 53 -10.383 25.413 -31.160 1.00 0.00 C ATOM 753 C LEU A 53 -9.717 25.836 -32.465 1.00 0.00 C ATOM 754 O LEU A 53 -10.392 26.149 -33.445 1.00 0.00 O ATOM 755 CB LEU A 53 -10.754 26.649 -30.339 1.00 0.00 C ATOM 756 CG LEU A 53 -11.427 27.788 -31.106 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.719 27.307 -31.749 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.695 28.968 -30.183 1.00 0.00 C ATOM 0 H LEU A 53 -8.955 25.015 -29.677 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.290 24.859 -31.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.418 26.339 -29.533 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.848 27.037 -29.874 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.752 28.117 -31.896 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.184 28.131 -32.291 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.500 26.495 -32.442 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.400 26.951 -30.976 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.174 29.769 -30.746 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.350 28.653 -29.371 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.753 29.328 -29.770 1.00 0.00 H new ATOM 770 N GLU A 54 -8.387 25.840 -32.470 1.00 0.00 N ATOM 771 CA GLU A 54 -7.630 26.224 -33.656 1.00 0.00 C ATOM 772 C GLU A 54 -7.563 25.072 -34.655 1.00 0.00 C ATOM 773 O GLU A 54 -7.684 25.277 -35.863 1.00 0.00 O ATOM 774 CB GLU A 54 -6.215 26.658 -33.266 1.00 0.00 C ATOM 775 CG GLU A 54 -6.173 27.591 -32.068 1.00 0.00 C ATOM 776 CD GLU A 54 -5.240 28.768 -32.277 1.00 0.00 C ATOM 777 OE1 GLU A 54 -4.082 28.540 -32.685 1.00 0.00 O ATOM 778 OE2 GLU A 54 -5.667 29.915 -32.032 1.00 0.00 O ATOM 0 H GLU A 54 -7.813 25.582 -31.667 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.143 27.062 -34.128 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.620 25.772 -33.047 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.748 27.153 -34.118 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.178 27.961 -31.865 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.855 27.032 -31.188 1.00 0.00 H new ATOM 785 N ILE A 55 -7.370 23.862 -34.141 1.00 0.00 N ATOM 786 CA ILE A 55 -7.287 22.678 -34.987 1.00 0.00 C ATOM 787 C ILE A 55 -8.545 22.520 -35.835 1.00 0.00 C ATOM 788 O ILE A 55 -8.514 21.909 -36.903 1.00 0.00 O ATOM 789 CB ILE A 55 -7.082 21.401 -34.151 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.206 21.252 -33.124 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.727 21.433 -33.459 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.256 19.885 -32.477 1.00 0.00 C ATOM 0 H ILE A 55 -7.268 23.676 -33.143 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.425 22.817 -35.640 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.108 20.540 -34.818 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.081 22.008 -32.349 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.161 21.450 -33.611 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.597 20.524 -32.872 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.938 21.498 -34.208 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.675 22.300 -32.801 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.077 19.851 -31.760 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.412 19.125 -33.243 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.316 19.692 -31.961 1.00 0.00 H new ATOM 804 N GLY A 56 -9.652 23.077 -35.353 1.00 0.00 N ATOM 805 CA GLY A 56 -10.904 22.988 -36.080 1.00 0.00 C ATOM 806 C GLY A 56 -12.083 22.703 -35.171 1.00 0.00 C ATOM 807 O GLY A 56 -13.148 23.304 -35.317 1.00 0.00 O ATOM 0 H GLY A 56 -9.704 23.588 -34.472 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.078 23.922 -36.614 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.830 22.201 -36.831 1.00 0.00 H new ATOM 811 N ILE A 57 -11.895 21.783 -34.230 1.00 0.00 N ATOM 812 CA ILE A 57 -12.952 21.420 -33.295 1.00 0.00 C ATOM 813 C ILE A 57 -13.537 22.656 -32.620 1.00 0.00 C ATOM 814 O ILE A 57 -12.906 23.261 -31.752 1.00 0.00 O ATOM 815 CB ILE A 57 -12.437 20.453 -32.212 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.855 19.194 -32.857 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.558 20.092 -31.249 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.239 18.235 -31.863 1.00 0.00 C ATOM 0 H ILE A 57 -11.020 21.276 -34.095 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.730 20.923 -33.875 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.646 20.948 -31.649 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.644 18.679 -33.406 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.098 19.485 -33.585 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.179 19.408 -30.489 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.931 20.997 -30.769 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.368 19.612 -31.798 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.847 17.366 -32.391 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.428 18.733 -31.331 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.998 17.914 -31.149 1.00 0.00 H new ATOM 830 N LEU A 58 -14.748 23.025 -33.022 1.00 0.00 N ATOM 831 CA LEU A 58 -15.422 24.188 -32.455 1.00 0.00 C ATOM 832 C LEU A 58 -16.350 23.778 -31.316 1.00 0.00 C ATOM 833 O LEU A 58 -16.620 24.564 -30.409 1.00 0.00 O ATOM 834 CB LEU A 58 -16.216 24.920 -33.538 1.00 0.00 C ATOM 835 CG LEU A 58 -15.463 25.222 -34.834 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.327 26.049 -35.773 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.156 25.941 -34.537 1.00 0.00 C ATOM 0 H LEU A 58 -15.284 22.536 -33.739 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.662 24.859 -32.055 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.094 24.323 -33.782 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.576 25.861 -33.123 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.231 24.277 -35.325 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.774 26.254 -36.690 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.236 25.497 -36.013 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.591 26.990 -35.290 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.634 26.148 -35.471 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.365 26.879 -34.023 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.531 25.312 -33.903 1.00 0.00 H new ATOM 849 N ASN A 59 -16.834 22.541 -31.370 1.00 0.00 N ATOM 850 CA ASN A 59 -17.731 22.026 -30.342 1.00 0.00 C ATOM 851 C ASN A 59 -17.135 22.222 -28.952 1.00 0.00 C ATOM 852 O ASN A 59 -16.239 21.486 -28.540 1.00 0.00 O ATOM 853 CB ASN A 59 -18.017 20.543 -30.582 1.00 0.00 C ATOM 854 CG ASN A 59 -19.334 20.316 -31.301 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.499 20.710 -32.456 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.278 19.680 -30.618 1.00 0.00 N ATOM 0 H ASN A 59 -16.620 21.877 -32.114 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.666 22.583 -30.399 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.207 20.110 -31.169 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.033 20.020 -29.626 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.185 19.500 -31.048 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.096 19.372 -29.663 1.00 0.00 H new ATOM 863 N SER A 60 -17.640 23.220 -28.233 1.00 0.00 N ATOM 864 CA SER A 60 -17.156 23.515 -26.889 1.00 0.00 C ATOM 865 C SER A 60 -17.341 22.313 -25.968 1.00 0.00 C ATOM 866 O SER A 60 -16.445 21.958 -25.204 1.00 0.00 O ATOM 867 CB SER A 60 -17.889 24.729 -26.315 1.00 0.00 C ATOM 868 OG SER A 60 -16.992 25.800 -26.076 1.00 0.00 O ATOM 0 H SER A 60 -18.384 23.838 -28.559 1.00 0.00 H new ATOM 0 HA SER A 60 -16.091 23.740 -26.955 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.667 25.050 -27.008 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.386 24.452 -25.385 1.00 0.00 H new ATOM 0 HG SER A 60 -17.485 26.564 -25.711 1.00 0.00 H new ATOM 874 N GLY A 61 -18.512 21.688 -26.049 1.00 0.00 N ATOM 875 CA GLY A 61 -18.795 20.533 -25.218 1.00 0.00 C ATOM 876 C GLY A 61 -17.801 19.408 -25.430 1.00 0.00 C ATOM 877 O GLY A 61 -17.647 18.536 -24.575 1.00 0.00 O ATOM 0 H GLY A 61 -19.269 21.961 -26.675 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.783 20.832 -24.170 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.800 20.171 -25.434 1.00 0.00 H new ATOM 881 N HIS A 62 -17.126 19.426 -26.575 1.00 0.00 N ATOM 882 CA HIS A 62 -16.141 18.400 -26.898 1.00 0.00 C ATOM 883 C HIS A 62 -14.745 18.827 -26.456 1.00 0.00 C ATOM 884 O HIS A 62 -13.990 18.032 -25.897 1.00 0.00 O ATOM 885 CB HIS A 62 -16.148 18.111 -28.400 1.00 0.00 C ATOM 886 CG HIS A 62 -17.426 17.501 -28.887 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.765 17.428 -30.221 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.449 16.930 -28.209 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.942 16.841 -30.343 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.379 16.529 -29.136 1.00 0.00 N ATOM 0 H HIS A 62 -17.243 20.140 -27.294 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.410 17.491 -26.360 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -15.969 19.040 -28.941 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.322 17.440 -28.636 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.520 16.812 -27.138 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.459 16.649 -31.271 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.263 16.066 -28.927 1.00 0.00 H new ATOM 898 N ARG A 63 -14.409 20.087 -26.712 1.00 0.00 N ATOM 899 CA ARG A 63 -13.103 20.620 -26.342 1.00 0.00 C ATOM 900 C ARG A 63 -12.851 20.454 -24.846 1.00 0.00 C ATOM 901 O ARG A 63 -11.706 20.363 -24.407 1.00 0.00 O ATOM 902 CB ARG A 63 -13.003 22.097 -26.726 1.00 0.00 C ATOM 903 CG ARG A 63 -13.105 22.346 -28.222 1.00 0.00 C ATOM 904 CD ARG A 63 -12.364 23.610 -28.629 1.00 0.00 C ATOM 905 NE ARG A 63 -13.270 24.634 -29.141 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.981 25.442 -28.363 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.893 25.344 -27.043 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.784 26.350 -28.904 1.00 0.00 N ATOM 0 H ARG A 63 -15.023 20.758 -27.174 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.343 20.058 -26.885 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.794 22.650 -26.220 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.055 22.494 -26.364 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.695 21.493 -28.763 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.154 22.430 -28.507 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.820 24.004 -27.770 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.624 23.367 -29.391 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.362 24.734 -30.152 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.278 24.647 -26.623 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.440 25.966 -26.448 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.856 26.428 -29.919 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.330 26.970 -28.305 1.00 0.00 H new ATOM 922 N GLN A 64 -13.930 20.416 -24.071 1.00 0.00 N ATOM 923 CA GLN A 64 -13.826 20.263 -22.625 1.00 0.00 C ATOM 924 C GLN A 64 -13.528 18.815 -22.251 1.00 0.00 C ATOM 925 O GLN A 64 -12.682 18.545 -21.398 1.00 0.00 O ATOM 926 CB GLN A 64 -15.119 20.721 -21.947 1.00 0.00 C ATOM 927 CG GLN A 64 -15.375 22.214 -22.074 1.00 0.00 C ATOM 928 CD GLN A 64 -14.987 22.981 -20.825 1.00 0.00 C ATOM 929 OE1 GLN A 64 -15.834 23.305 -19.993 1.00 0.00 O ATOM 930 NE2 GLN A 64 -13.699 23.276 -20.688 1.00 0.00 N ATOM 0 H GLN A 64 -14.886 20.489 -24.420 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.002 20.886 -22.278 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.959 20.178 -22.381 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.079 20.456 -20.890 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.815 22.604 -22.924 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.431 22.381 -22.285 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.031 22.988 -21.403 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.378 23.791 -19.868 1.00 0.00 H new ATOM 939 N ARG A 65 -14.228 17.886 -22.894 1.00 0.00 N ATOM 940 CA ARG A 65 -14.040 16.465 -22.628 1.00 0.00 C ATOM 941 C ARG A 65 -12.631 16.023 -23.012 1.00 0.00 C ATOM 942 O ARG A 65 -11.964 15.316 -22.255 1.00 0.00 O ATOM 943 CB ARG A 65 -15.073 15.639 -23.397 1.00 0.00 C ATOM 944 CG ARG A 65 -16.320 15.318 -22.589 1.00 0.00 C ATOM 945 CD ARG A 65 -17.553 15.243 -23.474 1.00 0.00 C ATOM 946 NE ARG A 65 -18.447 14.159 -23.076 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.203 12.877 -23.323 1.00 0.00 C ATOM 948 NH1 ARG A 65 -17.097 12.520 -23.962 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.065 11.948 -22.929 1.00 0.00 N ATOM 0 H ARG A 65 -14.931 18.092 -23.604 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.176 16.299 -21.559 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.363 16.182 -24.297 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.611 14.707 -23.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.185 14.369 -22.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.466 16.081 -21.824 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.090 16.191 -23.429 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.247 15.099 -24.510 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.306 14.400 -22.581 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.431 13.231 -24.265 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.912 11.535 -24.150 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.916 12.218 -22.436 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.876 10.964 -23.119 1.00 0.00 H new ATOM 963 N ILE A 66 -12.185 16.442 -24.191 1.00 0.00 N ATOM 964 CA ILE A 66 -10.856 16.089 -24.674 1.00 0.00 C ATOM 965 C ILE A 66 -9.773 16.619 -23.740 1.00 0.00 C ATOM 966 O ILE A 66 -8.771 15.948 -23.490 1.00 0.00 O ATOM 967 CB ILE A 66 -10.609 16.637 -26.092 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.661 16.096 -27.062 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.209 16.272 -26.564 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.704 16.836 -28.381 1.00 0.00 C ATOM 0 H ILE A 66 -12.725 17.026 -24.830 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.808 15.000 -24.701 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.691 17.724 -26.065 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.460 15.042 -27.252 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.642 16.153 -26.590 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.049 16.666 -27.568 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.473 16.701 -25.884 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.101 15.187 -26.579 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.472 16.399 -29.019 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.936 17.886 -28.202 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.735 16.757 -28.874 1.00 0.00 H new ATOM 982 N LEU A 67 -9.982 17.826 -23.226 1.00 0.00 N ATOM 983 CA LEU A 67 -9.024 18.447 -22.318 1.00 0.00 C ATOM 984 C LEU A 67 -8.692 17.515 -21.157 1.00 0.00 C ATOM 985 O LEU A 67 -7.523 17.279 -20.853 1.00 0.00 O ATOM 986 CB LEU A 67 -9.580 19.768 -21.783 1.00 0.00 C ATOM 987 CG LEU A 67 -9.225 21.020 -22.587 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.188 22.152 -22.264 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.790 21.442 -22.310 1.00 0.00 C ATOM 0 H LEU A 67 -10.806 18.394 -23.422 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.108 18.645 -22.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.666 19.688 -21.733 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.223 19.903 -20.762 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.315 20.786 -23.648 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.920 23.034 -22.845 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.204 21.848 -22.514 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.131 22.386 -21.201 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.555 22.334 -22.890 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.673 21.658 -21.248 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.113 20.636 -22.593 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.729 16.987 -20.514 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.546 16.080 -19.387 1.00 0.00 C ATOM 1003 C GLN A 68 -8.689 14.883 -19.785 1.00 0.00 C ATOM 1004 O GLN A 68 -7.707 14.561 -19.118 1.00 0.00 O ATOM 1005 CB GLN A 68 -10.902 15.601 -18.866 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.289 16.208 -17.528 1.00 0.00 C ATOM 1007 CD GLN A 68 -11.769 17.641 -17.654 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -12.966 17.898 -17.780 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -10.834 18.583 -17.619 1.00 0.00 N ATOM 0 H GLN A 68 -10.703 17.171 -20.754 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.032 16.624 -18.595 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.670 15.843 -19.601 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.882 14.515 -18.771 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.074 15.604 -17.073 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.431 16.174 -16.856 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.853 18.324 -17.513 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.097 19.565 -17.698 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.070 14.226 -20.877 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.335 13.066 -21.365 1.00 0.00 C ATOM 1020 C ALA A 69 -6.852 13.382 -21.525 1.00 0.00 C ATOM 1021 O ALA A 69 -5.993 12.598 -21.121 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.920 12.588 -22.686 1.00 0.00 C ATOM 0 H ALA A 69 -9.883 14.478 -21.439 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.432 12.269 -20.627 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.361 11.721 -23.039 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.965 12.313 -22.543 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.853 13.387 -23.424 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.558 14.535 -22.117 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.179 14.955 -22.329 1.00 0.00 C ATOM 1030 C ILE A 70 -4.470 15.208 -21.003 1.00 0.00 C ATOM 1031 O ILE A 70 -3.252 15.066 -20.902 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.104 16.230 -23.190 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.781 15.998 -24.542 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.656 16.655 -23.382 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.107 17.277 -25.282 1.00 0.00 C ATOM 0 H ILE A 70 -7.257 15.195 -22.458 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.680 14.141 -22.855 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.632 17.032 -22.673 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.130 15.383 -25.164 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.700 15.433 -24.387 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.620 17.557 -23.992 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.204 16.855 -22.411 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.106 15.857 -23.881 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.585 17.036 -26.232 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.783 17.884 -24.679 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.189 17.833 -25.469 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.243 15.581 -19.988 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.689 15.853 -18.667 1.00 0.00 C ATOM 1049 C GLN A 71 -4.308 14.557 -17.958 1.00 0.00 C ATOM 1050 O GLN A 71 -3.400 14.535 -17.127 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.694 16.635 -17.820 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.395 18.123 -17.739 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.626 18.690 -16.352 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -4.807 18.508 -15.450 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -6.745 19.382 -16.173 1.00 0.00 N ATOM 0 H GLN A 71 -6.254 15.702 -20.055 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.788 16.453 -18.796 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.692 16.496 -18.235 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.707 16.220 -16.812 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.360 18.298 -18.031 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.022 18.655 -18.454 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.396 19.508 -16.948 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.954 19.787 -15.260 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.008 13.479 -18.293 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.744 12.177 -17.689 1.00 0.00 C ATOM 1066 C LEU A 72 -3.605 11.464 -18.410 1.00 0.00 C ATOM 1067 O LEU A 72 -2.913 10.629 -17.825 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.005 11.312 -17.722 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.254 11.921 -17.083 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.485 11.097 -17.426 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.084 12.027 -15.575 1.00 0.00 C ATOM 0 H LEU A 72 -5.763 13.480 -18.979 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.449 12.338 -16.652 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.232 11.075 -18.762 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.788 10.369 -17.220 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.391 12.925 -17.484 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.364 11.546 -16.963 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.617 11.073 -18.508 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.358 10.080 -17.054 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.982 12.462 -15.137 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.921 11.034 -15.156 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.226 12.661 -15.349 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.415 11.798 -19.681 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.358 11.191 -20.482 1.00 0.00 C ATOM 1085 C LEU A 73 -1.011 11.294 -19.774 1.00 0.00 C ATOM 1086 O LEU A 73 -0.808 12.129 -18.892 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.279 11.864 -21.853 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.263 11.356 -22.908 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.194 12.216 -24.160 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.981 9.899 -23.243 1.00 0.00 C ATOM 0 H LEU A 73 -3.979 12.486 -20.180 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.598 10.136 -20.615 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.440 12.934 -21.720 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.267 11.739 -22.239 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.271 11.425 -22.500 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.901 11.840 -24.899 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.446 13.246 -23.908 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.185 12.180 -24.571 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.691 9.555 -23.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.967 9.805 -23.631 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.083 9.292 -22.343 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.066 10.428 -20.170 1.00 0.00 N ATOM 1103 CA PRO A 74 1.280 10.404 -19.588 1.00 0.00 C ATOM 1104 C PRO A 74 2.101 11.629 -19.976 1.00 0.00 C ATOM 1105 O PRO A 74 1.991 12.134 -21.093 1.00 0.00 O ATOM 1106 CB PRO A 74 1.899 9.136 -20.180 1.00 0.00 C ATOM 1107 CG PRO A 74 1.163 8.914 -21.455 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.238 9.407 -21.216 1.00 0.00 C ATOM 0 HA PRO A 74 1.254 10.413 -18.498 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.967 9.262 -20.357 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.786 8.288 -19.505 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.633 9.456 -22.276 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.164 7.859 -21.728 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.676 9.829 -22.121 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.897 8.603 -20.888 1.00 0.00 H new