USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=5 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 148:sc= 0.854 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1.13 K(o=-0.28,f=-8.8!) 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 USER MOD Single : A 26 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.53) USER MOD Single : A 29 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.28) 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= -3.91 K(o=-3.9,f=-5.3!) 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) USER MOD Single : A 42 MET CE :methyl 180:sc= -0.0655 (180deg=-0.0655) USER MOD Single : A 47 MET CE :methyl -123:sc= -8.73! (180deg=-11.4!) USER MOD Single : A 50 GLN : amide:sc= -0.394 K(o=-0.39,f=-1.6) 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 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.413 3.767 -25.476 1.00 0.00 N ATOM 146 CA GLN A 13 -1.653 4.028 -26.198 1.00 0.00 C ATOM 147 C GLN A 13 -1.405 4.944 -27.392 1.00 0.00 C ATOM 148 O GLN A 13 -0.403 5.660 -27.442 1.00 0.00 O ATOM 149 CB GLN A 13 -2.688 4.658 -25.264 1.00 0.00 C ATOM 150 CG GLN A 13 -4.019 3.923 -25.248 1.00 0.00 C ATOM 151 CD GLN A 13 -4.739 4.049 -23.920 1.00 0.00 C ATOM 152 OE1 GLN A 13 -4.381 3.393 -22.942 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.761 4.896 -23.879 1.00 0.00 N ATOM 0 HA GLN A 13 -2.037 3.077 -26.566 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.284 4.684 -24.252 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.857 5.692 -25.566 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.656 4.315 -26.041 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.850 2.869 -25.467 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.023 5.420 -24.714 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.284 5.023 -23.012 1.00 0.00 H new ATOM 162 N THR A 14 -2.323 4.918 -28.353 1.00 0.00 N ATOM 163 CA THR A 14 -2.203 5.744 -29.548 1.00 0.00 C ATOM 164 C THR A 14 -3.381 6.703 -29.673 1.00 0.00 C ATOM 165 O THR A 14 -4.450 6.465 -29.111 1.00 0.00 O ATOM 166 CB THR A 14 -2.119 4.882 -30.821 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.397 4.299 -31.103 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.079 3.783 -30.664 1.00 0.00 C ATOM 0 H THR A 14 -3.158 4.333 -28.327 1.00 0.00 H new ATOM 0 HA THR A 14 -1.281 6.317 -29.446 1.00 0.00 H new ATOM 0 HB THR A 14 -1.822 5.525 -31.649 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.336 3.754 -31.915 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.038 3.188 -31.576 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.102 4.230 -30.479 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.350 3.143 -29.825 1.00 0.00 H new ATOM 176 N VAL A 15 -3.179 7.787 -30.415 1.00 0.00 N ATOM 177 CA VAL A 15 -4.226 8.782 -30.616 1.00 0.00 C ATOM 178 C VAL A 15 -5.520 8.130 -31.091 1.00 0.00 C ATOM 179 O VAL A 15 -6.610 8.499 -30.657 1.00 0.00 O ATOM 180 CB VAL A 15 -3.797 9.850 -31.639 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.888 10.895 -31.810 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.488 10.499 -31.213 1.00 0.00 C ATOM 0 H VAL A 15 -2.300 7.999 -30.887 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.396 9.261 -29.652 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.640 9.364 -32.602 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.566 11.641 -32.537 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.800 10.414 -32.163 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.081 11.380 -30.853 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.199 11.251 -31.947 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.616 10.972 -30.240 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.710 9.739 -31.147 1.00 0.00 H new ATOM 192 N GLY A 16 -5.390 7.156 -31.988 1.00 0.00 N ATOM 193 CA GLY A 16 -6.557 6.467 -32.508 1.00 0.00 C ATOM 194 C GLY A 16 -7.392 5.834 -31.413 1.00 0.00 C ATOM 195 O GLY A 16 -8.497 6.292 -31.123 1.00 0.00 O ATOM 0 H GLY A 16 -4.498 6.832 -32.363 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.172 7.172 -33.068 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.238 5.696 -33.209 1.00 0.00 H new ATOM 199 N GLN A 17 -6.864 4.777 -30.804 1.00 0.00 N ATOM 200 CA GLN A 17 -7.571 4.078 -29.737 1.00 0.00 C ATOM 201 C GLN A 17 -7.893 5.026 -28.587 1.00 0.00 C ATOM 202 O GLN A 17 -8.850 4.811 -27.842 1.00 0.00 O ATOM 203 CB GLN A 17 -6.734 2.904 -29.226 1.00 0.00 C ATOM 204 CG GLN A 17 -6.584 1.779 -30.237 1.00 0.00 C ATOM 205 CD GLN A 17 -6.225 0.456 -29.589 1.00 0.00 C ATOM 206 OE1 GLN A 17 -7.100 -0.290 -29.148 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.933 0.158 -29.528 1.00 0.00 N ATOM 0 H GLN A 17 -5.950 4.386 -31.031 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.508 3.697 -30.144 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.744 3.267 -28.949 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.193 2.508 -28.320 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.516 1.667 -30.791 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.813 2.046 -30.960 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.242 0.806 -29.906 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.631 -0.719 -29.103 1.00 0.00 H new ATOM 216 N TRP A 18 -7.090 6.074 -28.448 1.00 0.00 N ATOM 217 CA TRP A 18 -7.290 7.056 -27.387 1.00 0.00 C ATOM 218 C TRP A 18 -8.613 7.792 -27.570 1.00 0.00 C ATOM 219 O TRP A 18 -9.386 7.944 -26.623 1.00 0.00 O ATOM 220 CB TRP A 18 -6.134 8.057 -27.365 1.00 0.00 C ATOM 221 CG TRP A 18 -6.348 9.190 -26.408 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.502 9.101 -25.054 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.433 10.582 -26.733 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.677 10.354 -24.517 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.638 11.279 -25.527 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.353 11.307 -27.925 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.766 12.665 -25.481 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.480 12.682 -27.878 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.684 13.349 -26.663 1.00 0.00 C ATOM 0 H TRP A 18 -6.294 6.267 -29.056 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.319 6.525 -26.435 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.215 7.534 -27.099 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.992 8.460 -28.368 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.488 8.181 -24.488 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.814 10.561 -23.528 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.195 10.802 -28.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.924 13.181 -24.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.421 13.252 -28.793 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.778 14.425 -26.659 1.00 0.00 H new ATOM 240 N LEU A 19 -8.867 8.248 -28.791 1.00 0.00 N ATOM 241 CA LEU A 19 -10.098 8.969 -29.098 1.00 0.00 C ATOM 242 C LEU A 19 -11.316 8.069 -28.917 1.00 0.00 C ATOM 243 O LEU A 19 -12.336 8.491 -28.373 1.00 0.00 O ATOM 244 CB LEU A 19 -10.055 9.505 -30.530 1.00 0.00 C ATOM 245 CG LEU A 19 -9.243 10.784 -30.743 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.630 10.800 -32.135 1.00 0.00 C ATOM 247 CD2 LEU A 19 -10.116 12.012 -30.529 1.00 0.00 C ATOM 0 H LEU A 19 -8.237 8.132 -29.585 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.181 9.806 -28.405 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.647 8.727 -31.176 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.078 9.689 -30.859 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.435 10.805 -30.011 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.056 11.717 -32.269 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.972 9.939 -32.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.422 10.755 -32.882 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.522 12.912 -30.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.945 11.997 -31.237 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.508 12.007 -29.512 1.00 0.00 H new ATOM 259 N GLU A 20 -11.200 6.826 -29.374 1.00 0.00 N ATOM 260 CA GLU A 20 -12.292 5.866 -29.261 1.00 0.00 C ATOM 261 C GLU A 20 -12.730 5.709 -27.808 1.00 0.00 C ATOM 262 O GLU A 20 -13.874 5.352 -27.528 1.00 0.00 O ATOM 263 CB GLU A 20 -11.869 4.509 -29.827 1.00 0.00 C ATOM 264 CG GLU A 20 -11.248 4.593 -31.211 1.00 0.00 C ATOM 265 CD GLU A 20 -12.029 3.814 -32.250 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.236 4.088 -32.414 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.433 2.929 -32.900 1.00 0.00 O ATOM 0 H GLU A 20 -10.362 6.460 -29.826 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.136 6.245 -29.838 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.155 4.047 -29.145 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.740 3.855 -29.868 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.188 5.638 -31.515 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.227 4.214 -31.170 1.00 0.00 H new ATOM 274 N SER A 21 -11.811 5.979 -26.886 1.00 0.00 N ATOM 275 CA SER A 21 -12.099 5.864 -25.462 1.00 0.00 C ATOM 276 C SER A 21 -13.074 6.949 -25.016 1.00 0.00 C ATOM 277 O SER A 21 -14.188 6.657 -24.579 1.00 0.00 O ATOM 278 CB SER A 21 -10.807 5.958 -24.649 1.00 0.00 C ATOM 279 OG SER A 21 -10.559 4.754 -23.943 1.00 0.00 O ATOM 0 H SER A 21 -10.860 6.279 -27.101 1.00 0.00 H new ATOM 0 HA SER A 21 -12.559 4.892 -25.287 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.970 6.172 -25.314 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.876 6.788 -23.946 1.00 0.00 H new ATOM 0 HG SER A 21 -9.727 4.839 -23.433 1.00 0.00 H new ATOM 285 N ILE A 22 -12.647 8.202 -25.129 1.00 0.00 N ATOM 286 CA ILE A 22 -13.481 9.332 -24.739 1.00 0.00 C ATOM 287 C ILE A 22 -14.828 9.292 -25.452 1.00 0.00 C ATOM 288 O ILE A 22 -15.846 9.713 -24.903 1.00 0.00 O ATOM 289 CB ILE A 22 -12.790 10.674 -25.045 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.265 10.686 -26.481 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.659 10.924 -24.059 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.724 12.031 -26.916 1.00 0.00 C ATOM 0 H ILE A 22 -11.728 8.460 -25.488 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.639 9.252 -23.664 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.521 11.475 -24.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.478 9.938 -26.578 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.069 10.391 -27.156 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.180 11.876 -24.288 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.060 10.954 -23.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.925 10.121 -24.136 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.369 11.965 -27.945 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.514 12.779 -26.852 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.898 12.319 -26.265 1.00 0.00 H new ATOM 304 N GLY A 23 -14.828 8.781 -26.679 1.00 0.00 N ATOM 305 CA GLY A 23 -16.056 8.693 -27.447 1.00 0.00 C ATOM 306 C GLY A 23 -16.165 9.785 -28.493 1.00 0.00 C ATOM 307 O GLY A 23 -17.209 10.423 -28.630 1.00 0.00 O ATOM 0 H GLY A 23 -13.999 8.426 -27.155 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.106 7.720 -27.935 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.909 8.755 -26.771 1.00 0.00 H new ATOM 311 N LEU A 24 -15.083 10.002 -29.234 1.00 0.00 N ATOM 312 CA LEU A 24 -15.060 11.026 -30.273 1.00 0.00 C ATOM 313 C LEU A 24 -14.082 10.654 -31.382 1.00 0.00 C ATOM 314 O LEU A 24 -13.045 11.291 -31.568 1.00 0.00 O ATOM 315 CB LEU A 24 -14.679 12.381 -29.673 1.00 0.00 C ATOM 316 CG LEU A 24 -15.835 13.231 -29.147 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.307 14.433 -28.378 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.731 13.680 -30.292 1.00 0.00 C ATOM 0 H LEU A 24 -14.211 9.483 -29.134 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.059 11.095 -30.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.979 12.210 -28.855 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.148 12.956 -30.432 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.428 12.621 -28.465 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.144 15.027 -28.011 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.708 14.091 -27.534 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.690 15.044 -29.037 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.549 14.284 -29.899 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.149 14.272 -30.998 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.138 12.806 -30.800 1.00 0.00 H new ATOM 330 N PRO A 25 -14.418 9.600 -32.139 1.00 0.00 N ATOM 331 CA PRO A 25 -13.584 9.121 -33.246 1.00 0.00 C ATOM 332 C PRO A 25 -13.573 10.088 -34.424 1.00 0.00 C ATOM 333 O PRO A 25 -12.648 10.081 -35.236 1.00 0.00 O ATOM 334 CB PRO A 25 -14.246 7.800 -33.644 1.00 0.00 C ATOM 335 CG PRO A 25 -15.666 7.943 -33.215 1.00 0.00 C ATOM 336 CD PRO A 25 -15.639 8.793 -31.975 1.00 0.00 C ATOM 0 HA PRO A 25 -12.539 9.018 -32.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.172 7.628 -34.718 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.767 6.953 -33.152 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.265 8.411 -33.996 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.112 6.970 -33.012 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.527 9.420 -31.899 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.600 8.184 -31.072 1.00 0.00 H new ATOM 344 N GLN A 26 -14.607 10.919 -34.512 1.00 0.00 N ATOM 345 CA GLN A 26 -14.716 11.892 -35.592 1.00 0.00 C ATOM 346 C GLN A 26 -13.492 12.801 -35.631 1.00 0.00 C ATOM 347 O GLN A 26 -13.157 13.363 -36.674 1.00 0.00 O ATOM 348 CB GLN A 26 -15.984 12.730 -35.426 1.00 0.00 C ATOM 349 CG GLN A 26 -16.046 13.487 -34.109 1.00 0.00 C ATOM 350 CD GLN A 26 -17.417 13.427 -33.465 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.997 12.352 -33.310 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.944 14.586 -33.086 1.00 0.00 N ATOM 0 H GLN A 26 -15.381 10.938 -33.848 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.771 11.347 -36.534 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.049 13.443 -36.248 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.853 12.077 -35.501 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.308 13.074 -33.422 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.774 14.529 -34.280 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.428 15.453 -33.234 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.865 14.608 -32.647 1.00 0.00 H new ATOM 361 N TYR A 27 -12.830 12.942 -34.488 1.00 0.00 N ATOM 362 CA TYR A 27 -11.645 13.786 -34.391 1.00 0.00 C ATOM 363 C TYR A 27 -10.373 12.959 -34.555 1.00 0.00 C ATOM 364 O TYR A 27 -9.348 13.250 -33.939 1.00 0.00 O ATOM 365 CB TYR A 27 -11.622 14.516 -33.047 1.00 0.00 C ATOM 366 CG TYR A 27 -12.797 15.446 -32.843 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.162 16.361 -33.824 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.542 15.410 -31.671 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.234 17.213 -33.641 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.616 16.258 -31.481 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.958 17.158 -32.469 1.00 0.00 C ATOM 372 OH TYR A 27 -16.027 18.004 -32.284 1.00 0.00 O ATOM 0 H TYR A 27 -13.094 12.483 -33.616 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.686 14.521 -35.195 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.608 13.780 -32.243 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.698 15.089 -32.970 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.598 16.406 -34.744 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.277 14.707 -30.895 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.504 17.919 -34.413 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.185 16.217 -30.564 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.707 17.557 -31.738 1.00 0.00 H new ATOM 382 N GLU A 28 -10.449 11.928 -35.389 1.00 0.00 N ATOM 383 CA GLU A 28 -9.304 11.059 -35.635 1.00 0.00 C ATOM 384 C GLU A 28 -8.426 11.617 -36.751 1.00 0.00 C ATOM 385 O GLU A 28 -7.227 11.350 -36.804 1.00 0.00 O ATOM 386 CB GLU A 28 -9.774 9.649 -35.998 1.00 0.00 C ATOM 387 CG GLU A 28 -8.637 8.669 -36.231 1.00 0.00 C ATOM 388 CD GLU A 28 -9.123 7.245 -36.422 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.396 6.862 -37.579 1.00 0.00 O ATOM 390 OE2 GLU A 28 -9.231 6.514 -35.415 1.00 0.00 O ATOM 0 H GLU A 28 -11.291 11.674 -35.906 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.713 11.013 -34.720 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.411 9.270 -35.198 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.388 9.700 -36.897 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.072 8.977 -37.111 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.952 8.705 -35.384 1.00 0.00 H new ATOM 397 N ASN A 29 -9.035 12.393 -37.642 1.00 0.00 N ATOM 398 CA ASN A 29 -8.310 12.989 -38.759 1.00 0.00 C ATOM 399 C ASN A 29 -7.822 14.390 -38.404 1.00 0.00 C ATOM 400 O ASN A 29 -6.790 14.844 -38.901 1.00 0.00 O ATOM 401 CB ASN A 29 -9.202 13.046 -40.001 1.00 0.00 C ATOM 402 CG ASN A 29 -8.472 13.593 -41.212 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.334 14.806 -41.372 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.999 12.699 -42.072 1.00 0.00 N ATOM 0 H ASN A 29 -10.028 12.624 -37.612 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.442 12.364 -38.972 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.573 12.046 -40.225 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.072 13.669 -39.792 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.498 13.008 -42.905 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.136 11.703 -41.900 1.00 0.00 H new ATOM 411 N HIS A 30 -8.570 15.071 -37.542 1.00 0.00 N ATOM 412 CA HIS A 30 -8.213 16.421 -37.120 1.00 0.00 C ATOM 413 C HIS A 30 -6.813 16.449 -36.514 1.00 0.00 C ATOM 414 O HIS A 30 -5.906 17.087 -37.050 1.00 0.00 O ATOM 415 CB HIS A 30 -9.230 16.947 -36.107 1.00 0.00 C ATOM 416 CG HIS A 30 -10.398 17.643 -36.736 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.451 16.969 -37.318 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.675 18.961 -36.871 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.325 17.843 -37.786 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.878 19.059 -37.527 1.00 0.00 N ATOM 0 H HIS A 30 -9.427 14.711 -37.122 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.222 17.064 -38.000 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.595 16.115 -35.505 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.730 17.637 -35.427 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.064 19.783 -36.527 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.248 17.604 -38.294 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.349 19.929 -37.774 1.00 0.00 H new ATOM 428 N LEU A 31 -6.644 15.753 -35.395 1.00 0.00 N ATOM 429 CA LEU A 31 -5.355 15.699 -34.715 1.00 0.00 C ATOM 430 C LEU A 31 -4.246 15.296 -35.683 1.00 0.00 C ATOM 431 O LEU A 31 -3.221 15.970 -35.782 1.00 0.00 O ATOM 432 CB LEU A 31 -5.412 14.711 -33.549 1.00 0.00 C ATOM 433 CG LEU A 31 -6.227 15.155 -32.333 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.021 13.987 -31.767 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.316 15.749 -31.269 1.00 0.00 C ATOM 0 H LEU A 31 -7.384 15.218 -34.940 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.133 16.694 -34.330 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.825 13.771 -33.915 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.392 14.505 -33.223 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.930 15.925 -32.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.595 14.322 -30.903 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.701 13.606 -32.529 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.337 13.195 -31.464 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.913 16.059 -30.411 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.589 15.001 -30.954 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.793 16.613 -31.679 1.00 0.00 H new ATOM 447 N MET A 32 -4.460 14.195 -36.395 1.00 0.00 N ATOM 448 CA MET A 32 -3.480 13.705 -37.357 1.00 0.00 C ATOM 449 C MET A 32 -3.238 14.733 -38.457 1.00 0.00 C ATOM 450 O MET A 32 -2.218 14.691 -39.145 1.00 0.00 O ATOM 451 CB MET A 32 -3.952 12.385 -37.971 1.00 0.00 C ATOM 452 CG MET A 32 -3.804 11.194 -37.038 1.00 0.00 C ATOM 453 SD MET A 32 -2.083 10.724 -36.778 1.00 0.00 S ATOM 454 CE MET A 32 -2.226 9.719 -35.303 1.00 0.00 C ATOM 0 H MET A 32 -5.303 13.625 -36.324 1.00 0.00 H new ATOM 0 HA MET A 32 -2.542 13.536 -36.829 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.998 12.482 -38.260 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.386 12.195 -38.883 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.261 11.431 -36.077 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.350 10.345 -37.450 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.240 9.353 -35.015 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.641 10.319 -34.493 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.884 8.873 -35.502 1.00 0.00 H new ATOM 464 N ALA A 33 -4.181 15.655 -38.618 1.00 0.00 N ATOM 465 CA ALA A 33 -4.069 16.694 -39.633 1.00 0.00 C ATOM 466 C ALA A 33 -3.319 17.908 -39.096 1.00 0.00 C ATOM 467 O ALA A 33 -2.549 18.542 -39.816 1.00 0.00 O ATOM 468 CB ALA A 33 -5.449 17.101 -40.127 1.00 0.00 C ATOM 0 H ALA A 33 -5.032 15.703 -38.058 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.500 16.289 -40.470 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.350 17.878 -40.885 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.951 16.235 -40.559 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.037 17.482 -39.292 1.00 0.00 H new ATOM 474 N ASN A 34 -3.549 18.226 -37.826 1.00 0.00 N ATOM 475 CA ASN A 34 -2.896 19.366 -37.192 1.00 0.00 C ATOM 476 C ASN A 34 -1.405 19.102 -37.005 1.00 0.00 C ATOM 477 O ASN A 34 -0.603 20.033 -36.936 1.00 0.00 O ATOM 478 CB ASN A 34 -3.546 19.666 -35.840 1.00 0.00 C ATOM 479 CG ASN A 34 -5.045 19.439 -35.856 1.00 0.00 C ATOM 480 OD1 ASN A 34 -5.605 18.853 -34.930 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.702 19.902 -36.913 1.00 0.00 N ATOM 0 H ASN A 34 -4.183 17.710 -37.216 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.015 20.231 -37.844 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.094 19.035 -35.075 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.341 20.700 -35.563 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.712 19.778 -36.980 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.197 20.382 -37.658 1.00 0.00 H new ATOM 488 N GLY A 35 -1.040 17.826 -36.924 1.00 0.00 N ATOM 489 CA GLY A 35 0.354 17.463 -36.747 1.00 0.00 C ATOM 490 C GLY A 35 0.612 16.792 -35.412 1.00 0.00 C ATOM 491 O GLY A 35 1.722 16.855 -34.882 1.00 0.00 O ATOM 0 H GLY A 35 -1.685 17.037 -36.978 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.657 16.793 -37.552 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.972 18.357 -36.827 1.00 0.00 H new ATOM 495 N PHE A 36 -0.414 16.148 -34.867 1.00 0.00 N ATOM 496 CA PHE A 36 -0.294 15.465 -33.584 1.00 0.00 C ATOM 497 C PHE A 36 -0.400 13.953 -33.761 1.00 0.00 C ATOM 498 O PHE A 36 -1.492 13.413 -33.936 1.00 0.00 O ATOM 499 CB PHE A 36 -1.375 15.953 -32.618 1.00 0.00 C ATOM 500 CG PHE A 36 -1.125 17.336 -32.088 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.004 17.605 -31.319 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.011 18.367 -32.358 1.00 0.00 C ATOM 503 CE1 PHE A 36 0.230 18.877 -30.830 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.782 19.640 -31.872 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.661 19.895 -31.106 1.00 0.00 C ATOM 0 H PHE A 36 -1.338 16.085 -35.294 1.00 0.00 H new ATOM 0 HA PHE A 36 0.686 15.697 -33.168 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.339 15.936 -33.126 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.443 15.258 -31.781 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.695 16.812 -31.099 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.890 18.173 -32.955 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.108 19.074 -30.233 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.479 20.435 -32.091 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.482 20.889 -30.724 1.00 0.00 H new ATOM 515 N ASP A 37 0.743 13.277 -33.716 1.00 0.00 N ATOM 516 CA ASP A 37 0.780 11.827 -33.871 1.00 0.00 C ATOM 517 C ASP A 37 1.391 11.164 -32.641 1.00 0.00 C ATOM 518 O ASP A 37 1.939 10.066 -32.723 1.00 0.00 O ATOM 519 CB ASP A 37 1.577 11.446 -35.120 1.00 0.00 C ATOM 520 CG ASP A 37 3.050 11.780 -34.990 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.378 12.979 -34.862 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.875 10.843 -35.016 1.00 0.00 O ATOM 0 H ASP A 37 1.656 13.709 -33.574 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.245 11.472 -33.981 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.465 10.378 -35.308 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.164 11.967 -35.984 1.00 0.00 H new ATOM 527 N ASN A 38 1.294 11.841 -31.501 1.00 0.00 N ATOM 528 CA ASN A 38 1.838 11.318 -30.253 1.00 0.00 C ATOM 529 C ASN A 38 0.744 11.176 -29.199 1.00 0.00 C ATOM 530 O ASN A 38 -0.417 11.500 -29.446 1.00 0.00 O ATOM 531 CB ASN A 38 2.947 12.235 -29.733 1.00 0.00 C ATOM 532 CG ASN A 38 4.082 12.391 -30.726 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.066 13.289 -31.568 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.075 11.514 -30.632 1.00 0.00 N ATOM 0 H ASN A 38 0.844 12.752 -31.416 1.00 0.00 H new ATOM 0 HA ASN A 38 2.255 10.331 -30.453 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.528 13.216 -29.508 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.338 11.833 -28.798 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.866 11.569 -31.273 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.046 10.786 -29.918 1.00 0.00 H new ATOM 541 N VAL A 39 1.124 10.688 -28.022 1.00 0.00 N ATOM 542 CA VAL A 39 0.177 10.504 -26.929 1.00 0.00 C ATOM 543 C VAL A 39 0.767 10.976 -25.605 1.00 0.00 C ATOM 544 O VAL A 39 0.088 11.622 -24.807 1.00 0.00 O ATOM 545 CB VAL A 39 -0.245 9.029 -26.794 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.375 8.887 -25.786 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.654 8.467 -28.148 1.00 0.00 C ATOM 0 H VAL A 39 2.081 10.413 -27.801 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.701 11.105 -27.167 1.00 0.00 H new ATOM 0 HB VAL A 39 0.608 8.456 -26.430 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.660 7.838 -25.704 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.043 9.250 -24.813 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.234 9.471 -26.117 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.949 7.424 -28.035 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.493 9.041 -28.542 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.187 8.533 -28.838 1.00 0.00 H new ATOM 557 N GLN A 40 2.035 10.648 -25.379 1.00 0.00 N ATOM 558 CA GLN A 40 2.716 11.038 -24.150 1.00 0.00 C ATOM 559 C GLN A 40 3.103 12.513 -24.187 1.00 0.00 C ATOM 560 O GLN A 40 3.130 13.184 -23.155 1.00 0.00 O ATOM 561 CB GLN A 40 3.963 10.177 -23.938 1.00 0.00 C ATOM 562 CG GLN A 40 3.703 8.686 -24.080 1.00 0.00 C ATOM 563 CD GLN A 40 4.884 7.843 -23.641 1.00 0.00 C ATOM 564 OE1 GLN A 40 4.842 7.191 -22.597 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.947 7.853 -24.437 1.00 0.00 N ATOM 0 H GLN A 40 2.611 10.114 -26.030 1.00 0.00 H new ATOM 0 HA GLN A 40 2.029 10.882 -23.318 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.726 10.474 -24.657 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.366 10.374 -22.945 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.829 8.416 -23.488 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.467 8.460 -25.120 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.938 8.408 -25.293 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.772 7.306 -24.193 1.00 0.00 H new ATOM 574 N PHE A 41 3.402 13.011 -25.382 1.00 0.00 N ATOM 575 CA PHE A 41 3.789 14.407 -25.554 1.00 0.00 C ATOM 576 C PHE A 41 2.583 15.329 -25.398 1.00 0.00 C ATOM 577 O PHE A 41 2.724 16.496 -25.036 1.00 0.00 O ATOM 578 CB PHE A 41 4.431 14.615 -26.927 1.00 0.00 C ATOM 579 CG PHE A 41 5.791 13.992 -27.054 1.00 0.00 C ATOM 580 CD1 PHE A 41 6.928 14.696 -26.690 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.934 12.701 -27.538 1.00 0.00 C ATOM 582 CE1 PHE A 41 8.181 14.125 -26.805 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.185 12.125 -27.655 1.00 0.00 C ATOM 584 CZ PHE A 41 8.310 12.838 -27.289 1.00 0.00 C ATOM 0 H PHE A 41 3.384 12.469 -26.246 1.00 0.00 H new ATOM 0 HA PHE A 41 4.516 14.655 -24.780 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.776 14.198 -27.692 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.510 15.684 -27.124 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.833 15.703 -26.312 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.058 12.139 -27.827 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.059 14.685 -26.517 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.283 11.118 -28.032 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.288 12.390 -27.381 1.00 0.00 H new ATOM 594 N MET A 42 1.398 14.795 -25.675 1.00 0.00 N ATOM 595 CA MET A 42 0.167 15.569 -25.565 1.00 0.00 C ATOM 596 C MET A 42 -0.119 15.932 -24.111 1.00 0.00 C ATOM 597 O MET A 42 -0.794 16.921 -23.829 1.00 0.00 O ATOM 598 CB MET A 42 -1.009 14.782 -26.147 1.00 0.00 C ATOM 599 CG MET A 42 -1.263 15.068 -27.618 1.00 0.00 C ATOM 600 SD MET A 42 -3.007 14.944 -28.058 1.00 0.00 S ATOM 601 CE MET A 42 -2.988 13.496 -29.112 1.00 0.00 C ATOM 0 H MET A 42 1.264 13.830 -25.977 1.00 0.00 H new ATOM 0 HA MET A 42 0.295 16.491 -26.133 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.821 13.716 -26.020 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.909 15.017 -25.579 1.00 0.00 H new ATOM 0 HG2 MET A 42 -0.902 16.068 -27.857 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.688 14.368 -28.225 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.998 13.290 -29.465 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.335 13.676 -29.966 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.619 12.640 -28.547 1.00 0.00 H new ATOM 643 N VAL A 46 0.636 21.224 -24.510 1.00 0.00 N ATOM 644 CA VAL A 46 0.174 21.290 -25.892 1.00 0.00 C ATOM 645 C VAL A 46 -1.264 20.800 -26.015 1.00 0.00 C ATOM 646 O VAL A 46 -1.724 19.988 -25.213 1.00 0.00 O ATOM 647 CB VAL A 46 1.071 20.455 -26.824 1.00 0.00 C ATOM 648 CG1 VAL A 46 0.917 18.971 -26.525 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.747 20.750 -28.280 1.00 0.00 C ATOM 0 HA VAL A 46 0.225 22.336 -26.193 1.00 0.00 H new ATOM 0 HB VAL A 46 2.110 20.732 -26.644 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.558 18.397 -27.193 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.203 18.776 -25.491 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.121 18.675 -26.676 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.390 20.151 -28.924 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.296 20.503 -28.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.914 21.808 -28.483 1.00 0.00 H new ATOM 659 N MET A 47 -1.969 21.299 -27.025 1.00 0.00 N ATOM 660 CA MET A 47 -3.356 20.910 -27.254 1.00 0.00 C ATOM 661 C MET A 47 -4.241 21.341 -26.089 1.00 0.00 C ATOM 662 O MET A 47 -4.899 20.514 -25.460 1.00 0.00 O ATOM 663 CB MET A 47 -3.457 19.397 -27.454 1.00 0.00 C ATOM 664 CG MET A 47 -4.716 18.964 -28.188 1.00 0.00 C ATOM 665 SD MET A 47 -4.452 18.765 -29.961 1.00 0.00 S ATOM 666 CE MET A 47 -5.553 20.020 -30.610 1.00 0.00 C ATOM 0 H MET A 47 -1.603 21.973 -27.698 1.00 0.00 H new ATOM 0 HA MET A 47 -3.704 21.413 -28.156 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.585 19.053 -28.011 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.427 18.907 -26.481 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.070 18.022 -27.769 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.501 19.702 -28.022 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.267 19.560 -31.293 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.091 20.493 -29.788 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.973 20.772 -31.144 1.00 0.00 H new ATOM 676 N GLU A 48 -4.251 22.640 -25.808 1.00 0.00 N ATOM 677 CA GLU A 48 -5.055 23.179 -24.717 1.00 0.00 C ATOM 678 C GLU A 48 -6.457 23.536 -25.200 1.00 0.00 C ATOM 679 O GLU A 48 -6.809 23.291 -26.354 1.00 0.00 O ATOM 680 CB GLU A 48 -4.379 24.415 -24.118 1.00 0.00 C ATOM 681 CG GLU A 48 -2.945 24.172 -23.679 1.00 0.00 C ATOM 682 CD GLU A 48 -2.383 25.318 -22.861 1.00 0.00 C ATOM 683 OE1 GLU A 48 -3.090 26.335 -22.700 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.236 25.198 -22.382 1.00 0.00 O ATOM 0 H GLU A 48 -3.712 23.338 -26.320 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.139 22.411 -23.948 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.393 25.219 -24.854 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.959 24.757 -23.261 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.899 23.255 -23.092 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.321 24.018 -24.559 1.00 0.00 H new ATOM 691 N ASP A 49 -7.253 24.116 -24.309 1.00 0.00 N ATOM 692 CA ASP A 49 -8.618 24.508 -24.643 1.00 0.00 C ATOM 693 C ASP A 49 -8.636 25.435 -25.855 1.00 0.00 C ATOM 694 O ASP A 49 -9.629 25.506 -26.578 1.00 0.00 O ATOM 695 CB ASP A 49 -9.280 25.197 -23.449 1.00 0.00 C ATOM 696 CG ASP A 49 -10.786 25.018 -23.440 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.399 25.092 -24.525 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.351 24.803 -22.347 1.00 0.00 O ATOM 0 H ASP A 49 -6.977 24.325 -23.350 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.179 23.606 -24.889 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.864 24.796 -22.525 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.043 26.261 -23.470 1.00 0.00 H new ATOM 703 N GLN A 50 -7.531 26.143 -26.068 1.00 0.00 N ATOM 704 CA GLN A 50 -7.422 27.067 -27.191 1.00 0.00 C ATOM 705 C GLN A 50 -6.915 26.350 -28.438 1.00 0.00 C ATOM 706 O GLN A 50 -7.469 26.509 -29.526 1.00 0.00 O ATOM 707 CB GLN A 50 -6.485 28.223 -26.838 1.00 0.00 C ATOM 708 CG GLN A 50 -7.213 29.480 -26.389 1.00 0.00 C ATOM 709 CD GLN A 50 -8.194 29.989 -27.428 1.00 0.00 C ATOM 710 OE1 GLN A 50 -8.115 29.627 -28.602 1.00 0.00 O ATOM 711 NE2 GLN A 50 -9.126 30.832 -26.999 1.00 0.00 N ATOM 0 H GLN A 50 -6.700 26.095 -25.479 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.415 27.464 -27.400 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.808 27.902 -26.046 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.870 28.460 -27.706 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.747 29.274 -25.461 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.483 30.260 -26.171 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.154 31.105 -26.017 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.814 31.207 -27.652 1.00 0.00 H new ATOM 720 N ASP A 51 -5.860 25.560 -28.273 1.00 0.00 N ATOM 721 CA ASP A 51 -5.279 24.817 -29.385 1.00 0.00 C ATOM 722 C ASP A 51 -6.344 23.992 -30.103 1.00 0.00 C ATOM 723 O ASP A 51 -6.350 23.900 -31.331 1.00 0.00 O ATOM 724 CB ASP A 51 -4.159 23.904 -28.887 1.00 0.00 C ATOM 725 CG ASP A 51 -3.035 24.675 -28.223 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.112 25.921 -28.185 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.078 24.033 -27.742 1.00 0.00 O ATOM 0 H ASP A 51 -5.389 25.418 -27.379 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.864 25.535 -30.092 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.569 23.184 -28.179 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.759 23.334 -29.726 1.00 0.00 H new ATOM 732 N LEU A 52 -7.242 23.393 -29.329 1.00 0.00 N ATOM 733 CA LEU A 52 -8.311 22.574 -29.890 1.00 0.00 C ATOM 734 C LEU A 52 -9.244 23.415 -30.754 1.00 0.00 C ATOM 735 O LEU A 52 -9.871 22.908 -31.685 1.00 0.00 O ATOM 736 CB LEU A 52 -9.104 21.899 -28.770 1.00 0.00 C ATOM 737 CG LEU A 52 -8.366 20.816 -27.982 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.853 20.778 -26.542 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.546 19.459 -28.645 1.00 0.00 C ATOM 0 H LEU A 52 -7.251 23.459 -28.311 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.857 21.807 -30.518 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.433 22.668 -28.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.001 21.457 -29.203 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.303 21.057 -27.977 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.317 20.001 -25.997 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.671 21.744 -26.071 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.921 20.561 -26.525 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.014 18.700 -28.071 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.606 19.210 -28.681 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.146 19.493 -29.659 1.00 0.00 H new ATOM 751 N LEU A 53 -9.331 24.704 -30.442 1.00 0.00 N ATOM 752 CA LEU A 53 -10.186 25.617 -31.192 1.00 0.00 C ATOM 753 C LEU A 53 -9.448 26.189 -32.397 1.00 0.00 C ATOM 754 O LEU A 53 -10.066 26.596 -33.380 1.00 0.00 O ATOM 755 CB LEU A 53 -10.668 26.754 -30.288 1.00 0.00 C ATOM 756 CG LEU A 53 -11.394 27.904 -30.986 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.676 27.410 -31.638 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.692 29.023 -29.999 1.00 0.00 C ATOM 0 H LEU A 53 -8.820 25.140 -29.675 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.048 25.055 -31.551 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.334 26.334 -29.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.806 27.162 -29.760 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.743 28.298 -31.767 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.179 28.243 -32.130 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.437 26.644 -32.376 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.332 26.989 -30.877 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.209 29.833 -30.513 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.323 28.642 -29.196 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.758 29.397 -29.580 1.00 0.00 H new ATOM 770 N GLU A 54 -8.121 26.214 -32.315 1.00 0.00 N ATOM 771 CA GLU A 54 -7.299 26.735 -33.401 1.00 0.00 C ATOM 772 C GLU A 54 -7.092 25.678 -34.482 1.00 0.00 C ATOM 773 O GLU A 54 -6.866 26.004 -35.648 1.00 0.00 O ATOM 774 CB GLU A 54 -5.944 27.204 -32.865 1.00 0.00 C ATOM 775 CG GLU A 54 -6.045 28.018 -31.586 1.00 0.00 C ATOM 776 CD GLU A 54 -5.288 29.330 -31.669 1.00 0.00 C ATOM 777 OE1 GLU A 54 -5.616 30.150 -32.550 1.00 0.00 O ATOM 778 OE2 GLU A 54 -4.366 29.534 -30.851 1.00 0.00 O ATOM 0 H GLU A 54 -7.593 25.880 -31.509 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.821 27.584 -33.842 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.314 26.334 -32.683 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.448 27.803 -33.629 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.094 28.221 -31.371 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.657 27.431 -30.754 1.00 0.00 H new ATOM 785 N ILE A 55 -7.170 24.412 -34.086 1.00 0.00 N ATOM 786 CA ILE A 55 -6.991 23.308 -35.020 1.00 0.00 C ATOM 787 C ILE A 55 -8.226 23.124 -35.896 1.00 0.00 C ATOM 788 O ILE A 55 -8.147 22.567 -36.990 1.00 0.00 O ATOM 789 CB ILE A 55 -6.698 21.988 -34.282 1.00 0.00 C ATOM 790 CG1 ILE A 55 -7.850 21.639 -33.339 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.389 22.091 -33.514 1.00 0.00 C ATOM 792 CD1 ILE A 55 -7.824 20.205 -32.857 1.00 0.00 C ATOM 0 H ILE A 55 -7.356 24.126 -33.125 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.137 23.561 -35.648 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.603 21.190 -35.018 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.817 22.304 -32.476 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.795 21.825 -33.849 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.195 21.151 -32.998 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.575 22.298 -34.209 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.458 22.898 -32.785 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.670 20.029 -32.193 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.888 19.532 -33.712 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.895 20.019 -32.318 1.00 0.00 H new ATOM 804 N GLY A 56 -9.368 23.597 -35.406 1.00 0.00 N ATOM 805 CA GLY A 56 -10.604 23.477 -36.158 1.00 0.00 C ATOM 806 C GLY A 56 -11.782 23.101 -35.281 1.00 0.00 C ATOM 807 O GLY A 56 -12.862 23.679 -35.400 1.00 0.00 O ATOM 0 H GLY A 56 -9.459 24.061 -34.502 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.815 24.422 -36.658 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.480 22.725 -36.937 1.00 0.00 H new ATOM 811 N ILE A 57 -11.574 22.129 -34.399 1.00 0.00 N ATOM 812 CA ILE A 57 -12.628 21.676 -33.500 1.00 0.00 C ATOM 813 C ILE A 57 -13.257 22.849 -32.756 1.00 0.00 C ATOM 814 O ILE A 57 -12.641 23.436 -31.865 1.00 0.00 O ATOM 815 CB ILE A 57 -12.095 20.659 -32.474 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.479 19.455 -33.190 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.210 20.214 -31.540 1.00 0.00 C ATOM 818 CD1 ILE A 57 -10.765 18.499 -32.260 1.00 0.00 C ATOM 0 H ILE A 57 -10.686 21.640 -34.288 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.384 21.193 -34.119 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.319 21.139 -31.878 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.265 18.916 -33.719 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.775 19.811 -33.942 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.817 19.495 -30.821 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.607 21.079 -31.009 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.006 19.748 -32.120 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.353 17.670 -32.836 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.957 19.023 -31.750 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.470 18.114 -31.523 1.00 0.00 H new ATOM 830 N LEU A 58 -14.488 23.186 -33.125 1.00 0.00 N ATOM 831 CA LEU A 58 -15.203 24.288 -32.492 1.00 0.00 C ATOM 832 C LEU A 58 -16.142 23.775 -31.405 1.00 0.00 C ATOM 833 O LEU A 58 -16.472 24.497 -30.465 1.00 0.00 O ATOM 834 CB LEU A 58 -15.996 25.075 -33.537 1.00 0.00 C ATOM 835 CG LEU A 58 -15.230 25.477 -34.798 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.094 26.355 -35.690 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.938 26.192 -34.432 1.00 0.00 C ATOM 0 H LEU A 58 -15.012 22.711 -33.860 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.468 24.947 -32.030 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.858 24.478 -33.835 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.381 25.979 -33.066 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.976 24.572 -35.350 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.532 26.631 -36.582 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.991 25.808 -35.981 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.379 27.256 -35.147 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.406 26.471 -35.342 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.169 27.089 -33.857 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.312 25.529 -33.834 1.00 0.00 H new ATOM 849 N ASN A 59 -16.567 22.523 -31.539 1.00 0.00 N ATOM 850 CA ASN A 59 -17.466 21.913 -30.567 1.00 0.00 C ATOM 851 C ASN A 59 -16.922 22.068 -29.150 1.00 0.00 C ATOM 852 O ASN A 59 -16.001 21.358 -28.747 1.00 0.00 O ATOM 853 CB ASN A 59 -17.668 20.430 -30.889 1.00 0.00 C ATOM 854 CG ASN A 59 -18.844 20.195 -31.817 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.975 20.008 -31.369 1.00 0.00 O ATOM 856 ND2 ASN A 59 -18.581 20.203 -33.119 1.00 0.00 N ATOM 0 H ASN A 59 -16.303 21.911 -32.311 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.426 22.425 -30.626 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.762 20.034 -31.348 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.824 19.878 -29.962 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.332 20.050 -33.792 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.628 20.362 -33.446 1.00 0.00 H new ATOM 863 N SER A 60 -17.499 23.001 -28.400 1.00 0.00 N ATOM 864 CA SER A 60 -17.071 23.252 -27.029 1.00 0.00 C ATOM 865 C SER A 60 -17.277 22.015 -26.160 1.00 0.00 C ATOM 866 O SER A 60 -16.377 21.595 -25.434 1.00 0.00 O ATOM 867 CB SER A 60 -17.840 24.436 -26.440 1.00 0.00 C ATOM 868 OG SER A 60 -17.335 25.666 -26.931 1.00 0.00 O ATOM 0 H SER A 60 -18.264 23.596 -28.719 1.00 0.00 H new ATOM 0 HA SER A 60 -16.008 23.491 -27.045 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.897 24.348 -26.690 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.767 24.417 -25.353 1.00 0.00 H new ATOM 0 HG SER A 60 -17.844 26.407 -26.541 1.00 0.00 H new ATOM 874 N GLY A 61 -18.471 21.435 -26.240 1.00 0.00 N ATOM 875 CA GLY A 61 -18.776 20.252 -25.457 1.00 0.00 C ATOM 876 C GLY A 61 -17.742 19.158 -25.632 1.00 0.00 C ATOM 877 O GLY A 61 -17.532 18.342 -24.734 1.00 0.00 O ATOM 0 H GLY A 61 -19.233 21.764 -26.834 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.838 20.524 -24.403 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.756 19.871 -25.746 1.00 0.00 H new ATOM 881 N HIS A 62 -17.093 19.139 -26.793 1.00 0.00 N ATOM 882 CA HIS A 62 -16.075 18.136 -27.083 1.00 0.00 C ATOM 883 C HIS A 62 -14.690 18.638 -26.688 1.00 0.00 C ATOM 884 O HIS A 62 -13.893 17.898 -26.109 1.00 0.00 O ATOM 885 CB HIS A 62 -16.095 17.775 -28.569 1.00 0.00 C ATOM 886 CG HIS A 62 -17.360 17.104 -29.006 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.777 17.065 -30.319 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.301 16.440 -28.294 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.921 16.409 -30.397 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.261 16.019 -29.182 1.00 0.00 N ATOM 0 H HIS A 62 -17.254 19.807 -27.547 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.300 17.245 -26.497 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -15.953 18.682 -29.157 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.252 17.119 -28.786 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.298 16.273 -27.227 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.483 16.223 -31.301 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.100 15.491 -28.942 1.00 0.00 H new ATOM 898 N ARG A 63 -14.409 19.897 -27.005 1.00 0.00 N ATOM 899 CA ARG A 63 -13.119 20.496 -26.684 1.00 0.00 C ATOM 900 C ARG A 63 -12.782 20.305 -25.208 1.00 0.00 C ATOM 901 O ARG A 63 -11.632 20.051 -24.852 1.00 0.00 O ATOM 902 CB ARG A 63 -13.125 21.987 -27.028 1.00 0.00 C ATOM 903 CG ARG A 63 -12.958 22.271 -28.512 1.00 0.00 C ATOM 904 CD ARG A 63 -12.206 23.571 -28.749 1.00 0.00 C ATOM 905 NE ARG A 63 -13.056 24.593 -29.353 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.904 25.347 -28.661 1.00 0.00 C ATOM 907 NH1 ARG A 63 -14.013 25.194 -27.349 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.644 26.256 -29.283 1.00 0.00 N ATOM 0 H ARG A 63 -15.057 20.522 -27.484 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.356 19.995 -27.280 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.062 22.426 -26.686 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.323 22.481 -26.480 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.421 21.448 -28.983 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.938 22.325 -28.986 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.813 23.940 -27.802 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.350 23.382 -29.397 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.996 24.736 -30.361 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.445 24.496 -26.868 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.665 25.774 -26.820 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.562 26.376 -30.293 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.295 26.834 -28.752 1.00 0.00 H new ATOM 922 N GLN A 64 -13.794 20.430 -24.355 1.00 0.00 N ATOM 923 CA GLN A 64 -13.604 20.272 -22.918 1.00 0.00 C ATOM 924 C GLN A 64 -13.338 18.813 -22.561 1.00 0.00 C ATOM 925 O GLN A 64 -12.401 18.506 -21.823 1.00 0.00 O ATOM 926 CB GLN A 64 -14.834 20.778 -22.161 1.00 0.00 C ATOM 927 CG GLN A 64 -14.909 22.293 -22.067 1.00 0.00 C ATOM 928 CD GLN A 64 -15.127 22.780 -20.648 1.00 0.00 C ATOM 929 OE1 GLN A 64 -14.215 23.312 -20.015 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.341 22.599 -20.140 1.00 0.00 N ATOM 0 H GLN A 64 -14.752 20.640 -24.634 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.736 20.863 -22.625 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.732 20.408 -22.655 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.829 20.360 -21.155 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.987 22.723 -22.457 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.721 22.653 -22.699 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.067 22.153 -20.701 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.547 22.906 -19.189 1.00 0.00 H new ATOM 939 N ARG A 65 -14.166 17.919 -23.089 1.00 0.00 N ATOM 940 CA ARG A 65 -14.021 16.493 -22.824 1.00 0.00 C ATOM 941 C ARG A 65 -12.620 16.012 -23.193 1.00 0.00 C ATOM 942 O ARG A 65 -12.030 15.193 -22.488 1.00 0.00 O ATOM 943 CB ARG A 65 -15.067 15.698 -23.608 1.00 0.00 C ATOM 944 CG ARG A 65 -16.343 15.433 -22.824 1.00 0.00 C ATOM 945 CD ARG A 65 -17.524 15.189 -23.750 1.00 0.00 C ATOM 946 NE ARG A 65 -18.650 14.575 -23.051 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.703 13.287 -22.732 1.00 0.00 C ATOM 948 NH1 ARG A 65 -17.698 12.481 -23.047 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.761 12.803 -22.095 1.00 0.00 N ATOM 0 H ARG A 65 -14.945 18.157 -23.703 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.174 16.329 -21.757 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.317 16.242 -24.519 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.634 14.746 -23.913 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.201 14.567 -22.177 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.557 16.283 -22.176 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.842 16.135 -24.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.213 14.545 -24.572 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.439 15.168 -22.794 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.882 12.850 -23.535 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.741 11.492 -22.801 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.535 13.420 -21.850 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.801 11.814 -21.851 1.00 0.00 H new ATOM 963 N ILE A 66 -12.096 16.525 -24.300 1.00 0.00 N ATOM 964 CA ILE A 66 -10.766 16.149 -24.761 1.00 0.00 C ATOM 965 C ILE A 66 -9.688 16.680 -23.822 1.00 0.00 C ATOM 966 O ILE A 66 -8.691 16.006 -23.559 1.00 0.00 O ATOM 967 CB ILE A 66 -10.494 16.671 -26.184 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.540 16.126 -27.159 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.092 16.284 -26.632 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.630 16.910 -28.450 1.00 0.00 C ATOM 0 H ILE A 66 -12.573 17.203 -24.895 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.732 15.060 -24.770 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.564 17.759 -26.175 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.303 15.087 -27.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.515 16.130 -26.672 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.915 16.660 -27.640 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.360 16.716 -25.950 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.995 15.198 -26.628 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.391 16.467 -29.092 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.897 17.944 -28.230 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.666 16.885 -28.959 1.00 0.00 H new ATOM 982 N LEU A 67 -9.895 17.892 -23.318 1.00 0.00 N ATOM 983 CA LEU A 67 -8.942 18.514 -22.406 1.00 0.00 C ATOM 984 C LEU A 67 -8.609 17.581 -21.246 1.00 0.00 C ATOM 985 O LEU A 67 -7.445 17.414 -20.886 1.00 0.00 O ATOM 986 CB LEU A 67 -9.504 19.832 -21.871 1.00 0.00 C ATOM 987 CG LEU A 67 -8.808 21.105 -22.355 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.482 22.336 -21.770 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.332 21.077 -21.988 1.00 0.00 C ATOM 0 H LEU A 67 -10.714 18.463 -23.526 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.025 18.715 -22.960 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.558 19.892 -22.144 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.458 19.808 -20.782 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.891 21.152 -23.441 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.974 23.232 -22.125 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.526 22.363 -22.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.430 22.297 -20.682 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.852 21.990 -22.340 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.228 21.006 -20.905 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.857 20.214 -22.455 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.641 16.974 -20.667 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.457 16.057 -19.549 1.00 0.00 C ATOM 1003 C GLN A 68 -8.585 14.873 -19.953 1.00 0.00 C ATOM 1004 O GLN A 68 -7.573 14.588 -19.314 1.00 0.00 O ATOM 1005 CB GLN A 68 -10.812 15.559 -19.043 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.128 15.993 -17.621 1.00 0.00 C ATOM 1007 CD GLN A 68 -10.447 15.126 -16.581 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -9.265 15.303 -16.284 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -11.191 14.180 -16.020 1.00 0.00 N ATOM 0 H GLN A 68 -10.612 17.101 -20.954 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.954 16.598 -18.747 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.595 15.924 -19.708 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.832 14.470 -19.095 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.818 17.029 -17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.206 15.960 -17.466 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.167 14.068 -16.296 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.787 13.565 -15.313 1.00 0.00 H new ATOM 1018 N ALA A 69 -8.986 14.186 -21.019 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.240 13.034 -21.509 1.00 0.00 C ATOM 1020 C ALA A 69 -6.768 13.378 -21.708 1.00 0.00 C ATOM 1021 O ALA A 69 -5.884 12.626 -21.295 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.846 12.528 -22.810 1.00 0.00 C ATOM 0 H ALA A 69 -9.823 14.408 -21.559 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.304 12.245 -20.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.279 11.667 -23.165 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.882 12.235 -22.639 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.812 13.319 -23.559 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.511 14.516 -22.344 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.145 14.958 -22.597 1.00 0.00 C ATOM 1030 C ILE A 70 -4.408 15.240 -21.292 1.00 0.00 C ATOM 1031 O ILE A 70 -3.188 15.099 -21.215 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.116 16.223 -23.474 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.818 15.962 -24.808 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.682 16.676 -23.703 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.160 17.224 -25.569 1.00 0.00 C ATOM 0 H ILE A 70 -7.231 15.149 -22.694 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.644 14.148 -23.127 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.649 17.019 -22.955 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.178 15.335 -25.429 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.733 15.400 -24.624 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.678 17.571 -24.325 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.213 16.898 -22.744 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.126 15.884 -24.204 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.655 16.962 -26.504 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.825 17.843 -24.967 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.246 17.777 -25.785 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.158 15.637 -20.269 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.575 15.937 -18.967 1.00 0.00 C ATOM 1049 C GLN A 71 -4.269 14.656 -18.198 1.00 0.00 C ATOM 1050 O GLN A 71 -3.227 14.541 -17.552 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.521 16.821 -18.153 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.326 18.309 -18.398 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.983 19.166 -17.335 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.209 19.268 -17.272 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.170 19.789 -16.490 1.00 0.00 N ATOM 0 H GLN A 71 -6.170 15.758 -20.317 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.640 16.472 -19.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.550 16.554 -18.392 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.376 16.614 -17.093 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.259 18.531 -18.431 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.736 18.569 -19.374 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.160 19.677 -16.578 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.556 20.380 -15.753 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.184 13.696 -18.272 1.00 0.00 N ATOM 1065 CA LEU A 72 -5.013 12.421 -17.583 1.00 0.00 C ATOM 1066 C LEU A 72 -3.856 11.629 -18.183 1.00 0.00 C ATOM 1067 O LEU A 72 -3.245 10.796 -17.511 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.302 11.601 -17.659 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.538 12.232 -17.017 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.746 11.322 -17.178 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.283 12.528 -15.547 1.00 0.00 C ATOM 0 H LEU A 72 -6.052 13.776 -18.802 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.783 12.628 -16.538 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.523 11.405 -18.708 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.124 10.636 -17.185 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.748 13.173 -17.525 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.616 11.787 -16.715 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.941 11.161 -18.238 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.547 10.365 -16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.173 12.977 -15.106 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.048 11.601 -15.025 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.445 13.219 -15.455 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.558 11.894 -19.450 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.472 11.208 -20.140 1.00 0.00 C ATOM 1085 C LEU A 73 -1.179 11.286 -19.335 1.00 0.00 C ATOM 1086 O LEU A 73 -1.006 12.149 -18.475 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.259 11.815 -21.528 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.183 11.302 -22.634 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -2.980 12.102 -23.912 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.943 9.821 -22.885 1.00 0.00 C ATOM 0 H LEU A 73 -4.053 12.579 -20.020 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.749 10.159 -20.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.381 12.896 -21.453 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.228 11.631 -21.829 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.215 11.432 -22.309 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.645 11.723 -24.688 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.203 13.152 -23.723 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.946 12.005 -24.242 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.609 9.473 -23.675 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.908 9.667 -23.189 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.140 9.260 -21.971 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.247 10.364 -19.620 1.00 0.00 N ATOM 1103 CA PRO A 74 1.048 10.309 -18.935 1.00 0.00 C ATOM 1104 C PRO A 74 1.951 11.480 -19.308 1.00 0.00 C ATOM 1105 O PRO A 74 1.982 11.909 -20.462 1.00 0.00 O ATOM 1106 CB PRO A 74 1.652 8.991 -19.424 1.00 0.00 C ATOM 1107 CG PRO A 74 1.005 8.743 -20.743 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.386 9.305 -20.633 1.00 0.00 C ATOM 0 HA PRO A 74 0.939 10.368 -17.852 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.735 9.064 -19.522 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.449 8.179 -18.725 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.559 9.227 -21.547 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.979 7.677 -20.971 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.735 9.704 -21.586 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.103 8.545 -20.324 1.00 0.00 H new