USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -2.58! K(o=-0.84!,f=0.93) USER MOD Set 1.2: A 27 TYR OH : rot 156:sc= 1.27 USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.473 K(o=-0.84,f=-6.3!) USER MOD Single : A 13 GLN : amide:sc= -0.0203 X(o=-0.02,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=-0.73) USER MOD Single : A 21 SER OG : rot 101:sc= 0.683 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.458 K(o=0.46,f=-2.5) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 40 GLN : amide:sc=-0.00693 X(o=-0.0069,f=0) USER MOD Single : A 42 MET CE :methyl -157:sc= -1.35 (180deg=-2.19!) USER MOD Single : A 47 MET CE :methyl -147:sc= -1.49 (180deg=-2.44!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.00095) 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=-0.15) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.682 3.871 -25.459 1.00 0.00 N ATOM 146 CA GLN A 13 -1.817 3.957 -26.370 1.00 0.00 C ATOM 147 C GLN A 13 -1.533 4.937 -27.503 1.00 0.00 C ATOM 148 O GLN A 13 -0.617 5.756 -27.416 1.00 0.00 O ATOM 149 CB GLN A 13 -3.075 4.385 -25.613 1.00 0.00 C ATOM 150 CG GLN A 13 -2.964 5.761 -24.977 1.00 0.00 C ATOM 151 CD GLN A 13 -3.961 5.968 -23.855 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.598 5.975 -22.678 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.229 6.138 -24.213 1.00 0.00 N ATOM 0 HA GLN A 13 -1.980 2.969 -26.801 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.922 4.378 -26.299 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.289 3.651 -24.836 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.954 5.898 -24.590 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.119 6.523 -25.741 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.486 6.125 -25.200 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.945 6.281 -23.501 1.00 0.00 H new ATOM 162 N THR A 14 -2.324 4.849 -28.568 1.00 0.00 N ATOM 163 CA THR A 14 -2.157 5.727 -29.719 1.00 0.00 C ATOM 164 C THR A 14 -3.310 6.719 -29.826 1.00 0.00 C ATOM 165 O THR A 14 -4.362 6.531 -29.216 1.00 0.00 O ATOM 166 CB THR A 14 -2.064 4.924 -31.030 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.351 4.401 -31.377 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.067 3.782 -30.895 1.00 0.00 C ATOM 0 H THR A 14 -3.087 4.178 -28.657 1.00 0.00 H new ATOM 0 HA THR A 14 -1.225 6.271 -29.568 1.00 0.00 H new ATOM 0 HB THR A 14 -1.721 5.595 -31.818 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.283 3.893 -32.213 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.018 3.229 -31.833 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.082 4.185 -30.660 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.386 3.113 -30.096 1.00 0.00 H new ATOM 176 N VAL A 15 -3.105 7.777 -30.605 1.00 0.00 N ATOM 177 CA VAL A 15 -4.128 8.798 -30.793 1.00 0.00 C ATOM 178 C VAL A 15 -5.452 8.177 -31.223 1.00 0.00 C ATOM 179 O VAL A 15 -6.515 8.550 -30.728 1.00 0.00 O ATOM 180 CB VAL A 15 -3.696 9.838 -31.843 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.768 10.905 -32.011 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.365 10.465 -31.456 1.00 0.00 C ATOM 0 H VAL A 15 -2.239 7.949 -31.116 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.259 9.296 -29.832 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.568 9.331 -32.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.445 11.631 -32.757 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.698 10.439 -32.337 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.930 11.411 -31.059 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.075 11.198 -32.209 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.463 10.958 -30.489 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.602 9.689 -31.392 1.00 0.00 H new ATOM 192 N GLY A 16 -5.380 7.225 -32.149 1.00 0.00 N ATOM 193 CA GLY A 16 -6.580 6.566 -32.631 1.00 0.00 C ATOM 194 C GLY A 16 -7.406 5.972 -31.507 1.00 0.00 C ATOM 195 O GLY A 16 -8.536 6.398 -31.268 1.00 0.00 O ATOM 0 H GLY A 16 -4.512 6.899 -32.574 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.187 7.282 -33.184 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.302 5.777 -33.330 1.00 0.00 H new ATOM 199 N GLN A 17 -6.842 4.986 -30.818 1.00 0.00 N ATOM 200 CA GLN A 17 -7.536 4.331 -29.715 1.00 0.00 C ATOM 201 C GLN A 17 -7.868 5.330 -28.612 1.00 0.00 C ATOM 202 O GLN A 17 -8.894 5.210 -27.942 1.00 0.00 O ATOM 203 CB GLN A 17 -6.682 3.194 -29.151 1.00 0.00 C ATOM 204 CG GLN A 17 -6.405 2.086 -30.154 1.00 0.00 C ATOM 205 CD GLN A 17 -5.507 1.001 -29.591 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.328 0.895 -28.378 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.936 0.189 -30.473 1.00 0.00 N ATOM 0 H GLN A 17 -5.907 4.623 -31.003 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.469 3.918 -30.099 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.733 3.602 -28.802 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.185 2.769 -28.283 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.349 1.643 -30.471 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.940 2.513 -31.042 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.113 0.314 -31.470 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.321 -0.559 -30.154 1.00 0.00 H new ATOM 216 N TRP A 18 -6.995 6.313 -28.429 1.00 0.00 N ATOM 217 CA TRP A 18 -7.196 7.333 -27.405 1.00 0.00 C ATOM 218 C TRP A 18 -8.525 8.052 -27.607 1.00 0.00 C ATOM 219 O TRP A 18 -9.268 8.285 -26.652 1.00 0.00 O ATOM 220 CB TRP A 18 -6.047 8.342 -27.429 1.00 0.00 C ATOM 221 CG TRP A 18 -6.217 9.459 -26.444 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.274 9.350 -25.084 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.354 10.852 -26.743 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.438 10.592 -24.519 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.489 11.530 -25.516 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.373 11.593 -27.927 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.642 12.912 -25.442 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.526 12.965 -27.853 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.658 13.613 -26.617 1.00 0.00 C ATOM 0 H TRP A 18 -6.141 6.426 -28.976 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.216 6.839 -26.434 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.112 7.822 -27.220 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.962 8.761 -28.432 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.201 8.424 -24.533 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.510 10.784 -23.520 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.270 11.103 -28.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.744 13.413 -24.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.544 13.547 -28.762 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.775 14.686 -26.592 1.00 0.00 H new ATOM 240 N LEU A 19 -8.821 8.401 -28.854 1.00 0.00 N ATOM 241 CA LEU A 19 -10.062 9.094 -29.181 1.00 0.00 C ATOM 242 C LEU A 19 -11.261 8.163 -29.032 1.00 0.00 C ATOM 243 O LEU A 19 -12.313 8.566 -28.538 1.00 0.00 O ATOM 244 CB LEU A 19 -10.002 9.643 -30.608 1.00 0.00 C ATOM 245 CG LEU A 19 -9.087 10.848 -30.826 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.529 10.846 -32.240 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.835 12.144 -30.547 1.00 0.00 C ATOM 0 H LEU A 19 -8.218 8.215 -29.656 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.181 9.924 -28.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.677 8.841 -31.271 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.012 9.919 -30.912 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.253 10.777 -30.128 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.880 11.711 -32.376 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.956 9.933 -32.404 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.350 10.892 -32.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.168 12.991 -30.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.689 12.223 -31.219 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.184 12.148 -29.514 1.00 0.00 H new ATOM 259 N GLU A 20 -11.092 6.916 -29.461 1.00 0.00 N ATOM 260 CA GLU A 20 -12.161 5.928 -29.373 1.00 0.00 C ATOM 261 C GLU A 20 -12.629 5.759 -27.931 1.00 0.00 C ATOM 262 O GLU A 20 -13.773 5.379 -27.678 1.00 0.00 O ATOM 263 CB GLU A 20 -11.689 4.583 -29.928 1.00 0.00 C ATOM 264 CG GLU A 20 -11.250 4.644 -31.381 1.00 0.00 C ATOM 265 CD GLU A 20 -11.752 3.465 -32.192 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.213 2.352 -32.015 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.682 3.654 -33.003 1.00 0.00 O ATOM 0 H GLU A 20 -10.226 6.566 -29.872 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.000 6.285 -29.970 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.859 4.220 -29.322 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.496 3.856 -29.831 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.614 5.569 -31.828 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.161 4.675 -31.427 1.00 0.00 H new ATOM 274 N SER A 21 -11.737 6.045 -26.988 1.00 0.00 N ATOM 275 CA SER A 21 -12.056 5.921 -25.570 1.00 0.00 C ATOM 276 C SER A 21 -13.028 7.013 -25.135 1.00 0.00 C ATOM 277 O SER A 21 -14.153 6.730 -24.723 1.00 0.00 O ATOM 278 CB SER A 21 -10.780 5.994 -24.730 1.00 0.00 C ATOM 279 OG SER A 21 -9.625 5.941 -25.550 1.00 0.00 O ATOM 0 H SER A 21 -10.787 6.364 -27.180 1.00 0.00 H new ATOM 0 HA SER A 21 -12.530 4.952 -25.413 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.775 6.917 -24.149 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.762 5.169 -24.018 1.00 0.00 H new ATOM 0 HG SER A 21 -9.268 6.846 -25.671 1.00 0.00 H new ATOM 285 N ILE A 22 -12.585 8.263 -25.229 1.00 0.00 N ATOM 286 CA ILE A 22 -13.415 9.398 -24.847 1.00 0.00 C ATOM 287 C ILE A 22 -14.768 9.351 -25.549 1.00 0.00 C ATOM 288 O ILE A 22 -15.781 9.780 -24.998 1.00 0.00 O ATOM 289 CB ILE A 22 -12.726 10.735 -25.174 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.264 10.753 -26.633 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.549 10.968 -24.238 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.629 12.060 -27.051 1.00 0.00 C ATOM 0 H ILE A 22 -11.656 8.514 -25.566 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.565 9.330 -23.769 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.445 11.541 -25.030 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.549 9.945 -26.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.119 10.551 -27.279 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.072 11.917 -24.482 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.903 10.994 -23.208 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.827 10.159 -24.353 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.326 12.000 -28.096 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.348 12.870 -26.928 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.754 12.254 -26.431 1.00 0.00 H new ATOM 304 N GLY A 23 -14.777 8.825 -26.771 1.00 0.00 N ATOM 305 CA GLY A 23 -16.011 8.730 -27.528 1.00 0.00 C ATOM 306 C GLY A 23 -16.123 9.804 -28.592 1.00 0.00 C ATOM 307 O GLY A 23 -17.181 10.412 -28.763 1.00 0.00 O ATOM 0 H GLY A 23 -13.952 8.463 -27.249 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.070 7.749 -27.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.858 8.808 -26.847 1.00 0.00 H new ATOM 311 N LEU A 24 -15.029 10.041 -29.308 1.00 0.00 N ATOM 312 CA LEU A 24 -15.008 11.051 -30.361 1.00 0.00 C ATOM 313 C LEU A 24 -14.025 10.669 -31.462 1.00 0.00 C ATOM 314 O LEU A 24 -12.988 11.305 -31.651 1.00 0.00 O ATOM 315 CB LEU A 24 -14.634 12.415 -29.778 1.00 0.00 C ATOM 316 CG LEU A 24 -15.738 13.142 -29.010 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.169 14.337 -28.261 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.846 13.582 -29.956 1.00 0.00 C ATOM 0 H LEU A 24 -14.145 9.548 -29.179 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.006 11.109 -30.795 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.782 12.281 -29.111 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.302 13.058 -30.593 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.163 12.451 -28.282 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.969 14.842 -27.720 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.412 13.997 -27.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.717 15.030 -28.971 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.623 14.098 -29.392 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.436 14.256 -30.708 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.274 12.708 -30.447 1.00 0.00 H new ATOM 330 N PRO A 25 -14.357 9.605 -32.210 1.00 0.00 N ATOM 331 CA PRO A 25 -13.517 9.116 -33.307 1.00 0.00 C ATOM 332 C PRO A 25 -13.504 10.071 -34.496 1.00 0.00 C ATOM 333 O PRO A 25 -12.574 10.059 -35.302 1.00 0.00 O ATOM 334 CB PRO A 25 -14.176 7.790 -33.694 1.00 0.00 C ATOM 335 CG PRO A 25 -15.597 7.936 -33.271 1.00 0.00 C ATOM 336 CD PRO A 25 -15.577 8.799 -32.040 1.00 0.00 C ATOM 0 HA PRO A 25 -12.473 9.018 -33.009 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.099 7.607 -34.766 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.698 6.949 -33.192 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.193 8.395 -34.059 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.043 6.964 -33.059 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.467 9.425 -31.974 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.540 8.200 -31.130 1.00 0.00 H new ATOM 344 N GLN A 26 -14.541 10.896 -34.599 1.00 0.00 N ATOM 345 CA GLN A 26 -14.647 11.857 -35.690 1.00 0.00 C ATOM 346 C GLN A 26 -13.414 12.752 -35.750 1.00 0.00 C ATOM 347 O GLN A 26 -13.063 13.273 -36.809 1.00 0.00 O ATOM 348 CB GLN A 26 -15.905 12.712 -35.525 1.00 0.00 C ATOM 349 CG GLN A 26 -15.814 13.713 -34.384 1.00 0.00 C ATOM 350 CD GLN A 26 -17.139 14.389 -34.095 1.00 0.00 C ATOM 351 OE1 GLN A 26 -18.011 14.467 -34.960 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.297 14.884 -32.872 1.00 0.00 N ATOM 0 H GLN A 26 -15.319 10.918 -33.940 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.715 11.300 -36.625 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.094 13.249 -36.454 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.760 12.057 -35.356 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.467 13.203 -33.485 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.070 14.471 -34.629 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.547 14.797 -32.186 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.168 15.351 -32.619 1.00 0.00 H new ATOM 361 N TYR A 27 -12.759 12.925 -34.607 1.00 0.00 N ATOM 362 CA TYR A 27 -11.566 13.759 -34.529 1.00 0.00 C ATOM 363 C TYR A 27 -10.302 12.917 -34.669 1.00 0.00 C ATOM 364 O TYR A 27 -9.297 13.171 -34.007 1.00 0.00 O ATOM 365 CB TYR A 27 -11.538 14.523 -33.204 1.00 0.00 C ATOM 366 CG TYR A 27 -12.745 15.408 -32.990 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.227 16.218 -34.011 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.404 15.434 -31.767 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.329 17.029 -33.819 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.507 16.241 -31.567 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.966 17.037 -32.596 1.00 0.00 C ATOM 372 OH TYR A 27 -16.064 17.842 -32.402 1.00 0.00 O ATOM 0 H TYR A 27 -13.034 12.499 -33.722 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.599 14.473 -35.352 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.472 13.808 -32.384 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.637 15.136 -33.166 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.732 16.214 -34.971 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.048 14.812 -30.959 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.690 17.654 -34.623 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.008 16.249 -30.610 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.613 17.477 -31.677 1.00 0.00 H new ATOM 382 N GLU A 28 -10.362 11.912 -35.538 1.00 0.00 N ATOM 383 CA GLU A 28 -9.222 11.031 -35.766 1.00 0.00 C ATOM 384 C GLU A 28 -8.291 11.610 -36.827 1.00 0.00 C ATOM 385 O GLU A 28 -7.076 11.425 -36.770 1.00 0.00 O ATOM 386 CB GLU A 28 -9.700 9.643 -36.195 1.00 0.00 C ATOM 387 CG GLU A 28 -8.578 8.627 -36.328 1.00 0.00 C ATOM 388 CD GLU A 28 -9.037 7.331 -36.969 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.503 7.375 -38.127 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.932 6.274 -36.313 1.00 0.00 O ATOM 0 H GLU A 28 -11.187 11.688 -36.095 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.670 10.944 -34.830 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.426 9.277 -35.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.219 9.726 -37.150 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.772 9.057 -36.923 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.167 8.414 -35.341 1.00 0.00 H new ATOM 397 N ASN A 29 -8.870 12.313 -37.796 1.00 0.00 N ATOM 398 CA ASN A 29 -8.093 12.918 -38.871 1.00 0.00 C ATOM 399 C ASN A 29 -7.708 14.353 -38.522 1.00 0.00 C ATOM 400 O ASN A 29 -6.704 14.873 -39.010 1.00 0.00 O ATOM 401 CB ASN A 29 -8.888 12.896 -40.178 1.00 0.00 C ATOM 402 CG ASN A 29 -8.427 11.796 -41.116 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.687 10.616 -40.882 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.739 12.181 -42.184 1.00 0.00 N ATOM 0 H ASN A 29 -9.875 12.477 -37.858 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.181 12.336 -38.998 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.946 12.760 -39.954 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.789 13.860 -40.677 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.402 11.487 -42.851 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.547 13.171 -42.337 1.00 0.00 H new ATOM 411 N HIS A 30 -8.512 14.986 -37.674 1.00 0.00 N ATOM 412 CA HIS A 30 -8.254 16.360 -37.258 1.00 0.00 C ATOM 413 C HIS A 30 -6.853 16.497 -36.670 1.00 0.00 C ATOM 414 O HIS A 30 -6.067 17.341 -37.103 1.00 0.00 O ATOM 415 CB HIS A 30 -9.296 16.809 -36.232 1.00 0.00 C ATOM 416 CG HIS A 30 -10.557 17.332 -36.849 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.417 16.545 -37.585 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.102 18.571 -36.833 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.436 17.278 -37.997 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.269 18.511 -37.554 1.00 0.00 N ATOM 0 H HIS A 30 -9.347 14.570 -37.262 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.323 16.998 -38.139 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.540 15.968 -35.583 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.862 17.584 -35.600 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.695 19.444 -36.344 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.265 16.928 -38.595 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.904 19.292 -37.720 1.00 0.00 H new ATOM 428 N LEU A 31 -6.547 15.662 -35.683 1.00 0.00 N ATOM 429 CA LEU A 31 -5.240 15.690 -35.035 1.00 0.00 C ATOM 430 C LEU A 31 -4.151 15.204 -35.986 1.00 0.00 C ATOM 431 O LEU A 31 -3.140 15.877 -36.183 1.00 0.00 O ATOM 432 CB LEU A 31 -5.256 14.825 -33.774 1.00 0.00 C ATOM 433 CG LEU A 31 -6.168 15.302 -32.644 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.042 14.162 -32.145 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.345 15.883 -31.503 1.00 0.00 C ATOM 0 H LEU A 31 -7.186 14.958 -35.314 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.021 16.721 -34.758 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.556 13.815 -34.054 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.238 14.760 -33.389 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.817 16.086 -33.034 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.684 14.521 -31.341 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.659 13.791 -32.964 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.410 13.356 -31.772 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.011 16.217 -30.708 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.671 15.119 -31.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.763 16.729 -31.868 1.00 0.00 H new ATOM 447 N MET A 32 -4.366 14.032 -36.574 1.00 0.00 N ATOM 448 CA MET A 32 -3.403 13.457 -37.507 1.00 0.00 C ATOM 449 C MET A 32 -3.047 14.456 -38.604 1.00 0.00 C ATOM 450 O MET A 32 -1.939 14.435 -39.139 1.00 0.00 O ATOM 451 CB MET A 32 -3.965 12.178 -38.129 1.00 0.00 C ATOM 452 CG MET A 32 -4.053 11.015 -37.154 1.00 0.00 C ATOM 453 SD MET A 32 -2.655 9.885 -37.292 1.00 0.00 S ATOM 454 CE MET A 32 -2.718 9.073 -35.697 1.00 0.00 C ATOM 0 H MET A 32 -5.198 13.462 -36.421 1.00 0.00 H new ATOM 0 HA MET A 32 -2.497 13.215 -36.952 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.959 12.384 -38.527 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.338 11.888 -38.972 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.103 11.402 -36.136 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.978 10.466 -37.332 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.913 8.342 -35.629 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.603 9.814 -34.906 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.677 8.568 -35.584 1.00 0.00 H new ATOM 464 N ALA A 33 -3.993 15.329 -38.933 1.00 0.00 N ATOM 465 CA ALA A 33 -3.778 16.336 -39.965 1.00 0.00 C ATOM 466 C ALA A 33 -2.945 17.497 -39.433 1.00 0.00 C ATOM 467 O ALA A 33 -1.939 17.877 -40.031 1.00 0.00 O ATOM 468 CB ALA A 33 -5.111 16.841 -40.496 1.00 0.00 C ATOM 0 H ALA A 33 -4.916 15.359 -38.500 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.227 15.871 -40.782 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.935 17.592 -41.266 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.672 16.009 -40.922 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.683 17.284 -39.681 1.00 0.00 H new ATOM 474 N ASN A 34 -3.371 18.058 -38.306 1.00 0.00 N ATOM 475 CA ASN A 34 -2.664 19.177 -37.694 1.00 0.00 C ATOM 476 C ASN A 34 -1.201 18.825 -37.443 1.00 0.00 C ATOM 477 O ASN A 34 -0.339 19.702 -37.402 1.00 0.00 O ATOM 478 CB ASN A 34 -3.337 19.575 -36.379 1.00 0.00 C ATOM 479 CG ASN A 34 -4.437 20.600 -36.579 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.227 21.798 -36.385 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.617 20.133 -36.969 1.00 0.00 N ATOM 0 H ASN A 34 -4.202 17.756 -37.798 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.703 20.020 -38.384 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.754 18.687 -35.904 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.588 19.979 -35.698 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.395 20.775 -37.120 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.746 19.132 -37.118 1.00 0.00 H new ATOM 488 N GLY A 35 -0.929 17.534 -37.276 1.00 0.00 N ATOM 489 CA GLY A 35 0.431 17.088 -37.032 1.00 0.00 C ATOM 490 C GLY A 35 0.620 16.546 -35.629 1.00 0.00 C ATOM 491 O GLY A 35 1.713 16.624 -35.068 1.00 0.00 O ATOM 0 H GLY A 35 -1.626 16.789 -37.305 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.692 16.315 -37.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.117 17.920 -37.193 1.00 0.00 H new ATOM 495 N PHE A 36 -0.448 15.997 -35.060 1.00 0.00 N ATOM 496 CA PHE A 36 -0.395 15.442 -33.713 1.00 0.00 C ATOM 497 C PHE A 36 -0.465 13.918 -33.749 1.00 0.00 C ATOM 498 O PHE A 36 -1.548 13.334 -33.715 1.00 0.00 O ATOM 499 CB PHE A 36 -1.542 15.995 -32.865 1.00 0.00 C ATOM 500 CG PHE A 36 -1.388 17.450 -32.525 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.418 17.867 -31.627 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.214 18.401 -33.103 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.274 19.205 -31.313 1.00 0.00 C ATOM 504 CE2 PHE A 36 -2.073 19.741 -32.793 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.103 20.143 -31.895 1.00 0.00 C ATOM 0 H PHE A 36 -1.360 15.925 -35.511 1.00 0.00 H new ATOM 0 HA PHE A 36 0.554 15.735 -33.264 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.481 15.852 -33.400 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.611 15.420 -31.942 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.233 17.138 -31.167 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.976 18.092 -33.803 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.487 19.517 -30.613 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.721 20.473 -33.252 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.994 21.189 -31.649 1.00 0.00 H new ATOM 515 N ASP A 37 0.699 13.280 -33.819 1.00 0.00 N ATOM 516 CA ASP A 37 0.771 11.824 -33.860 1.00 0.00 C ATOM 517 C ASP A 37 1.355 11.273 -32.563 1.00 0.00 C ATOM 518 O ASP A 37 1.942 10.192 -32.545 1.00 0.00 O ATOM 519 CB ASP A 37 1.618 11.368 -35.049 1.00 0.00 C ATOM 520 CG ASP A 37 3.080 11.738 -34.895 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.383 12.949 -34.842 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.921 10.818 -34.827 1.00 0.00 O ATOM 0 H ASP A 37 1.605 13.748 -33.848 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.242 11.437 -33.975 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.530 10.287 -35.161 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.227 11.816 -35.963 1.00 0.00 H new ATOM 527 N ASN A 38 1.189 12.024 -31.479 1.00 0.00 N ATOM 528 CA ASN A 38 1.701 11.611 -30.177 1.00 0.00 C ATOM 529 C ASN A 38 0.560 11.398 -29.186 1.00 0.00 C ATOM 530 O ASN A 38 -0.588 11.750 -29.460 1.00 0.00 O ATOM 531 CB ASN A 38 2.675 12.658 -29.633 1.00 0.00 C ATOM 532 CG ASN A 38 3.903 12.815 -30.509 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.580 11.837 -30.829 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.197 14.049 -30.900 1.00 0.00 N ATOM 0 H ASN A 38 0.704 12.921 -31.476 1.00 0.00 H new ATOM 0 HA ASN A 38 2.228 10.666 -30.305 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.165 13.618 -29.552 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.984 12.375 -28.627 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.012 14.217 -31.490 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.608 14.830 -30.611 1.00 0.00 H new ATOM 541 N VAL A 39 0.884 10.821 -28.034 1.00 0.00 N ATOM 542 CA VAL A 39 -0.112 10.563 -27.001 1.00 0.00 C ATOM 543 C VAL A 39 0.380 11.025 -25.635 1.00 0.00 C ATOM 544 O VAL A 39 -0.377 11.602 -24.854 1.00 0.00 O ATOM 545 CB VAL A 39 -0.469 9.066 -26.927 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.641 8.842 -25.983 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.779 8.523 -28.314 1.00 0.00 C ATOM 0 H VAL A 39 1.829 10.523 -27.792 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.003 11.129 -27.273 1.00 0.00 H new ATOM 0 HB VAL A 39 0.391 8.524 -26.534 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.879 7.779 -25.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.376 9.192 -24.985 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.509 9.395 -26.343 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.029 7.464 -28.243 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.623 9.067 -28.738 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.093 8.648 -28.957 1.00 0.00 H new ATOM 557 N GLN A 40 1.653 10.768 -25.352 1.00 0.00 N ATOM 558 CA GLN A 40 2.246 11.159 -24.079 1.00 0.00 C ATOM 559 C GLN A 40 2.685 12.619 -24.108 1.00 0.00 C ATOM 560 O GLN A 40 2.750 13.279 -23.070 1.00 0.00 O ATOM 561 CB GLN A 40 3.442 10.261 -23.753 1.00 0.00 C ATOM 562 CG GLN A 40 4.635 10.481 -24.668 1.00 0.00 C ATOM 563 CD GLN A 40 5.737 9.464 -24.445 1.00 0.00 C ATOM 564 OE1 GLN A 40 6.839 9.809 -24.018 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.445 8.201 -24.734 1.00 0.00 N ATOM 0 H GLN A 40 2.293 10.291 -25.987 1.00 0.00 H new ATOM 0 HA GLN A 40 1.489 11.042 -23.303 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.748 10.438 -22.722 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.131 9.218 -23.819 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.306 10.433 -25.706 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.032 11.483 -24.506 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.519 7.959 -25.086 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.147 7.473 -24.604 1.00 0.00 H new ATOM 574 N PHE A 41 2.985 13.118 -25.302 1.00 0.00 N ATOM 575 CA PHE A 41 3.419 14.501 -25.466 1.00 0.00 C ATOM 576 C PHE A 41 2.239 15.460 -25.339 1.00 0.00 C ATOM 577 O PHE A 41 2.407 16.621 -24.969 1.00 0.00 O ATOM 578 CB PHE A 41 4.099 14.687 -26.824 1.00 0.00 C ATOM 579 CG PHE A 41 5.502 14.154 -26.871 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.738 12.804 -27.078 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.585 15.002 -26.707 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.028 12.311 -27.120 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.878 14.515 -26.749 1.00 0.00 C ATOM 584 CZ PHE A 41 8.100 13.167 -26.957 1.00 0.00 C ATOM 0 H PHE A 41 2.936 12.586 -26.171 1.00 0.00 H new ATOM 0 HA PHE A 41 4.135 14.727 -24.676 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.504 14.189 -27.590 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.114 15.748 -27.071 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.904 12.130 -27.208 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.417 16.056 -26.544 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.198 11.257 -27.280 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.713 15.187 -26.619 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.109 12.784 -26.992 1.00 0.00 H new ATOM 594 N MET A 42 1.046 14.964 -25.650 1.00 0.00 N ATOM 595 CA MET A 42 -0.163 15.776 -25.570 1.00 0.00 C ATOM 596 C MET A 42 -0.325 16.374 -24.176 1.00 0.00 C ATOM 597 O MET A 42 -0.948 17.422 -24.008 1.00 0.00 O ATOM 598 CB MET A 42 -1.392 14.936 -25.923 1.00 0.00 C ATOM 599 CG MET A 42 -1.716 14.929 -27.409 1.00 0.00 C ATOM 600 SD MET A 42 -3.391 14.355 -27.751 1.00 0.00 S ATOM 601 CE MET A 42 -3.151 13.533 -29.325 1.00 0.00 C ATOM 0 H MET A 42 0.890 14.005 -25.959 1.00 0.00 H new ATOM 0 HA MET A 42 -0.071 16.591 -26.288 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.229 13.911 -25.590 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.253 15.317 -25.373 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.592 15.935 -27.809 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.003 14.289 -27.929 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.100 13.487 -29.860 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.426 14.089 -29.919 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.781 12.522 -29.155 1.00 0.00 H new ATOM 643 N VAL A 46 0.523 21.589 -24.570 1.00 0.00 N ATOM 644 CA VAL A 46 0.110 21.329 -25.944 1.00 0.00 C ATOM 645 C VAL A 46 -1.294 20.736 -25.993 1.00 0.00 C ATOM 646 O VAL A 46 -1.725 20.059 -25.060 1.00 0.00 O ATOM 647 CB VAL A 46 1.086 20.371 -26.652 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.017 18.984 -26.032 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.786 20.313 -28.143 1.00 0.00 C ATOM 0 HA VAL A 46 0.114 22.288 -26.463 1.00 0.00 H new ATOM 0 HB VAL A 46 2.100 20.750 -26.522 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.713 18.321 -26.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.283 19.044 -24.977 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.005 18.592 -26.129 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.485 19.632 -28.628 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.233 19.957 -28.296 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.891 21.309 -28.574 1.00 0.00 H new ATOM 659 N MET A 47 -2.001 20.994 -27.088 1.00 0.00 N ATOM 660 CA MET A 47 -3.356 20.483 -27.259 1.00 0.00 C ATOM 661 C MET A 47 -4.292 21.059 -26.201 1.00 0.00 C ATOM 662 O MET A 47 -5.275 20.425 -25.819 1.00 0.00 O ATOM 663 CB MET A 47 -3.362 18.955 -27.184 1.00 0.00 C ATOM 664 CG MET A 47 -4.260 18.298 -28.220 1.00 0.00 C ATOM 665 SD MET A 47 -3.609 18.444 -29.895 1.00 0.00 S ATOM 666 CE MET A 47 -4.948 19.318 -30.703 1.00 0.00 C ATOM 0 H MET A 47 -1.659 21.553 -27.869 1.00 0.00 H new ATOM 0 HA MET A 47 -3.712 20.792 -28.242 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.343 18.589 -27.314 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.686 18.650 -26.189 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.383 17.244 -27.973 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.250 18.753 -28.178 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.017 18.997 -31.742 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.886 19.099 -30.193 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.757 20.391 -30.666 1.00 0.00 H new ATOM 676 N GLU A 48 -3.980 22.263 -25.733 1.00 0.00 N ATOM 677 CA GLU A 48 -4.793 22.922 -24.718 1.00 0.00 C ATOM 678 C GLU A 48 -6.187 23.235 -25.257 1.00 0.00 C ATOM 679 O GLU A 48 -6.524 22.871 -26.383 1.00 0.00 O ATOM 680 CB GLU A 48 -4.116 24.211 -24.248 1.00 0.00 C ATOM 681 CG GLU A 48 -2.676 24.015 -23.803 1.00 0.00 C ATOM 682 CD GLU A 48 -2.109 25.236 -23.105 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.907 26.050 -22.594 1.00 0.00 O ATOM 684 OE2 GLU A 48 -0.869 25.377 -23.069 1.00 0.00 O ATOM 0 H GLU A 48 -3.170 22.802 -26.040 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.893 22.243 -23.871 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.141 24.941 -25.057 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.689 24.632 -23.422 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.621 23.159 -23.131 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.060 23.779 -24.671 1.00 0.00 H new ATOM 691 N ASP A 49 -6.991 23.910 -24.443 1.00 0.00 N ATOM 692 CA ASP A 49 -8.348 24.272 -24.837 1.00 0.00 C ATOM 693 C ASP A 49 -8.338 25.112 -26.110 1.00 0.00 C ATOM 694 O ASP A 49 -8.986 24.767 -27.097 1.00 0.00 O ATOM 695 CB ASP A 49 -9.041 25.039 -23.710 1.00 0.00 C ATOM 696 CG ASP A 49 -8.118 26.035 -23.034 1.00 0.00 C ATOM 697 OD1 ASP A 49 -8.014 27.177 -23.529 1.00 0.00 O ATOM 698 OD2 ASP A 49 -7.500 25.672 -22.012 1.00 0.00 O ATOM 0 H ASP A 49 -6.727 24.217 -23.507 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.901 23.353 -25.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.907 25.565 -24.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.413 24.332 -22.969 1.00 0.00 H new ATOM 703 N GLN A 50 -7.600 26.218 -26.078 1.00 0.00 N ATOM 704 CA GLN A 50 -7.509 27.108 -27.229 1.00 0.00 C ATOM 705 C GLN A 50 -6.985 26.363 -28.453 1.00 0.00 C ATOM 706 O GLN A 50 -7.443 26.590 -29.573 1.00 0.00 O ATOM 707 CB GLN A 50 -6.598 28.295 -26.911 1.00 0.00 C ATOM 708 CG GLN A 50 -7.342 29.614 -26.777 1.00 0.00 C ATOM 709 CD GLN A 50 -6.672 30.741 -27.538 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.476 30.986 -27.383 1.00 0.00 O ATOM 711 NE2 GLN A 50 -7.443 31.435 -28.368 1.00 0.00 N ATOM 0 H GLN A 50 -7.057 26.518 -25.268 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.510 27.477 -27.452 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.063 28.093 -25.983 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.849 28.388 -27.697 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.362 29.490 -27.141 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.411 29.883 -25.723 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.430 31.198 -28.466 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.048 32.205 -28.907 1.00 0.00 H new ATOM 720 N ASP A 51 -6.023 25.475 -28.231 1.00 0.00 N ATOM 721 CA ASP A 51 -5.437 24.696 -29.316 1.00 0.00 C ATOM 722 C ASP A 51 -6.497 23.846 -30.009 1.00 0.00 C ATOM 723 O ASP A 51 -6.441 23.630 -31.221 1.00 0.00 O ATOM 724 CB ASP A 51 -4.317 23.801 -28.783 1.00 0.00 C ATOM 725 CG ASP A 51 -3.009 24.549 -28.614 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.353 24.834 -29.637 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.642 24.849 -27.458 1.00 0.00 O ATOM 0 H ASP A 51 -5.632 25.276 -27.310 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.021 25.391 -30.045 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.618 23.380 -27.824 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.168 22.965 -29.466 1.00 0.00 H new ATOM 732 N LEU A 52 -7.463 23.366 -29.234 1.00 0.00 N ATOM 733 CA LEU A 52 -8.537 22.539 -29.772 1.00 0.00 C ATOM 734 C LEU A 52 -9.479 23.366 -30.640 1.00 0.00 C ATOM 735 O LEU A 52 -10.126 22.842 -31.548 1.00 0.00 O ATOM 736 CB LEU A 52 -9.319 21.879 -28.635 1.00 0.00 C ATOM 737 CG LEU A 52 -8.576 20.801 -27.846 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.274 20.531 -26.522 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.466 19.522 -28.664 1.00 0.00 C ATOM 0 H LEU A 52 -7.525 23.535 -28.230 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.088 21.764 -30.393 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.636 22.656 -27.940 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.224 21.437 -29.052 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.569 21.162 -27.635 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.731 19.761 -25.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.300 21.446 -25.931 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.293 20.192 -26.710 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.934 18.766 -28.087 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.464 19.158 -28.906 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.920 19.725 -29.585 1.00 0.00 H new ATOM 751 N LEU A 53 -9.551 24.662 -30.357 1.00 0.00 N ATOM 752 CA LEU A 53 -10.413 25.564 -31.113 1.00 0.00 C ATOM 753 C LEU A 53 -9.728 26.024 -32.396 1.00 0.00 C ATOM 754 O LEU A 53 -10.389 26.358 -33.378 1.00 0.00 O ATOM 755 CB LEU A 53 -10.789 26.776 -30.259 1.00 0.00 C ATOM 756 CG LEU A 53 -11.503 27.916 -30.989 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.900 27.488 -31.409 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.564 29.156 -30.109 1.00 0.00 C ATOM 0 H LEU A 53 -9.023 25.112 -29.609 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.319 25.021 -31.382 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.428 26.437 -29.444 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.880 27.173 -29.807 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.935 28.160 -31.887 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.393 28.311 -31.927 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.832 26.629 -32.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.478 27.217 -30.526 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.075 29.957 -30.644 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.109 28.926 -29.193 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.552 29.475 -29.859 1.00 0.00 H new ATOM 770 N GLU A 54 -8.398 26.037 -32.379 1.00 0.00 N ATOM 771 CA GLU A 54 -7.624 26.455 -33.542 1.00 0.00 C ATOM 772 C GLU A 54 -7.522 25.325 -34.562 1.00 0.00 C ATOM 773 O GLU A 54 -7.615 25.553 -35.768 1.00 0.00 O ATOM 774 CB GLU A 54 -6.224 26.902 -33.116 1.00 0.00 C ATOM 775 CG GLU A 54 -6.219 27.818 -31.905 1.00 0.00 C ATOM 776 CD GLU A 54 -5.428 29.090 -32.139 1.00 0.00 C ATOM 777 OE1 GLU A 54 -4.192 29.060 -31.965 1.00 0.00 O ATOM 778 OE2 GLU A 54 -6.045 30.116 -32.494 1.00 0.00 O ATOM 0 H GLU A 54 -7.835 25.763 -31.574 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.139 27.295 -34.008 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.622 26.020 -32.896 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.746 27.415 -33.951 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.246 28.076 -31.645 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.798 27.285 -31.052 1.00 0.00 H new ATOM 785 N ILE A 55 -7.329 24.106 -34.068 1.00 0.00 N ATOM 786 CA ILE A 55 -7.214 22.941 -34.936 1.00 0.00 C ATOM 787 C ILE A 55 -8.462 22.769 -35.795 1.00 0.00 C ATOM 788 O ILE A 55 -8.408 22.189 -36.878 1.00 0.00 O ATOM 789 CB ILE A 55 -6.984 21.653 -34.122 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.124 21.446 -33.123 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.645 21.714 -33.402 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.116 20.080 -32.472 1.00 0.00 C ATOM 0 H ILE A 55 -7.249 23.900 -33.072 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.353 23.113 -35.581 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.968 20.805 -34.807 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.060 22.210 -32.348 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.076 21.590 -33.635 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.497 20.797 -32.831 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.843 21.820 -34.133 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.634 22.568 -32.725 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.951 20.004 -31.776 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.211 19.311 -33.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.180 19.940 -31.932 1.00 0.00 H new ATOM 804 N GLY A 56 -9.587 23.282 -35.304 1.00 0.00 N ATOM 805 CA GLY A 56 -10.833 23.177 -36.041 1.00 0.00 C ATOM 806 C GLY A 56 -12.014 22.873 -35.141 1.00 0.00 C ATOM 807 O GLY A 56 -13.081 23.470 -35.284 1.00 0.00 O ATOM 0 H GLY A 56 -9.657 23.768 -34.410 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.016 24.110 -36.574 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.742 22.393 -36.793 1.00 0.00 H new ATOM 811 N ILE A 57 -11.825 21.940 -34.213 1.00 0.00 N ATOM 812 CA ILE A 57 -12.884 21.558 -33.288 1.00 0.00 C ATOM 813 C ILE A 57 -13.478 22.781 -32.597 1.00 0.00 C ATOM 814 O ILE A 57 -12.873 23.351 -31.689 1.00 0.00 O ATOM 815 CB ILE A 57 -12.369 20.578 -32.217 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.754 19.343 -32.878 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.498 20.177 -31.280 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.207 18.337 -31.890 1.00 0.00 C ATOM 0 H ILE A 57 -10.948 21.435 -34.082 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.657 21.066 -33.879 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.596 21.076 -31.631 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.509 18.858 -33.497 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.951 19.659 -33.544 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.119 19.484 -30.529 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.895 21.065 -30.788 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.291 19.694 -31.851 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.787 17.488 -32.430 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.429 18.805 -31.287 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.011 17.992 -31.240 1.00 0.00 H new ATOM 830 N LEU A 58 -14.669 23.179 -33.033 1.00 0.00 N ATOM 831 CA LEU A 58 -15.348 24.334 -32.456 1.00 0.00 C ATOM 832 C LEU A 58 -16.277 23.909 -31.323 1.00 0.00 C ATOM 833 O LEU A 58 -16.517 24.670 -30.387 1.00 0.00 O ATOM 834 CB LEU A 58 -16.143 25.073 -33.533 1.00 0.00 C ATOM 835 CG LEU A 58 -15.393 25.381 -34.829 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.256 26.218 -35.760 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.082 26.094 -34.530 1.00 0.00 C ATOM 0 H LEU A 58 -15.184 22.719 -33.784 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.591 25.004 -32.048 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.023 24.479 -33.779 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.501 26.013 -33.112 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.166 24.438 -35.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.705 26.427 -36.677 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.168 25.671 -36.001 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.515 27.157 -35.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.562 26.305 -35.464 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.287 27.029 -34.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.457 25.459 -33.902 1.00 0.00 H new ATOM 849 N ASN A 59 -16.794 22.688 -31.415 1.00 0.00 N ATOM 850 CA ASN A 59 -17.695 22.161 -30.396 1.00 0.00 C ATOM 851 C ASN A 59 -17.080 22.292 -29.006 1.00 0.00 C ATOM 852 O ASN A 59 -16.203 21.515 -28.629 1.00 0.00 O ATOM 853 CB ASN A 59 -18.023 20.695 -30.685 1.00 0.00 C ATOM 854 CG ASN A 59 -19.243 20.540 -31.574 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.314 21.122 -32.656 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.210 19.752 -31.118 1.00 0.00 N ATOM 0 H ASN A 59 -16.605 22.045 -32.184 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.615 22.744 -30.423 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.166 20.221 -31.163 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.193 20.171 -29.744 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.055 19.609 -31.671 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.108 19.290 -30.215 1.00 0.00 H new ATOM 863 N SER A 60 -17.548 23.279 -28.249 1.00 0.00 N ATOM 864 CA SER A 60 -17.043 23.514 -26.901 1.00 0.00 C ATOM 865 C SER A 60 -17.291 22.301 -26.009 1.00 0.00 C ATOM 866 O SER A 60 -16.415 21.883 -25.253 1.00 0.00 O ATOM 867 CB SER A 60 -17.704 24.752 -26.294 1.00 0.00 C ATOM 868 OG SER A 60 -16.964 25.235 -25.186 1.00 0.00 O ATOM 0 H SER A 60 -18.276 23.929 -28.546 1.00 0.00 H new ATOM 0 HA SER A 60 -15.968 23.681 -26.966 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.784 25.533 -27.050 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.719 24.509 -25.979 1.00 0.00 H new ATOM 0 HG SER A 60 -17.407 26.028 -24.817 1.00 0.00 H new ATOM 874 N GLY A 61 -18.493 21.742 -26.103 1.00 0.00 N ATOM 875 CA GLY A 61 -18.837 20.583 -25.299 1.00 0.00 C ATOM 876 C GLY A 61 -17.826 19.462 -25.436 1.00 0.00 C ATOM 877 O GLY A 61 -17.649 18.661 -24.517 1.00 0.00 O ATOM 0 H GLY A 61 -19.235 22.070 -26.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.907 20.879 -24.252 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.821 20.219 -25.594 1.00 0.00 H new ATOM 881 N HIS A 62 -17.163 19.403 -26.586 1.00 0.00 N ATOM 882 CA HIS A 62 -16.164 18.370 -26.840 1.00 0.00 C ATOM 883 C HIS A 62 -14.782 18.827 -26.384 1.00 0.00 C ATOM 884 O HIS A 62 -14.036 18.063 -25.771 1.00 0.00 O ATOM 885 CB HIS A 62 -16.132 18.017 -28.327 1.00 0.00 C ATOM 886 CG HIS A 62 -17.338 17.257 -28.788 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.721 17.184 -30.111 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.246 16.531 -28.094 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.815 16.449 -30.210 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.153 16.040 -29.000 1.00 0.00 N ATOM 0 H HIS A 62 -17.299 20.057 -27.357 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.441 17.483 -26.269 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.047 18.935 -28.908 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.240 17.426 -28.533 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.255 16.368 -27.026 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.343 16.221 -31.124 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -19.957 15.454 -28.775 1.00 0.00 H new ATOM 898 N ARG A 63 -14.447 20.077 -26.688 1.00 0.00 N ATOM 899 CA ARG A 63 -13.154 20.634 -26.311 1.00 0.00 C ATOM 900 C ARG A 63 -12.901 20.459 -24.816 1.00 0.00 C ATOM 901 O ARG A 63 -11.758 20.315 -24.384 1.00 0.00 O ATOM 902 CB ARG A 63 -13.087 22.118 -26.680 1.00 0.00 C ATOM 903 CG ARG A 63 -13.087 22.373 -28.178 1.00 0.00 C ATOM 904 CD ARG A 63 -12.329 23.645 -28.526 1.00 0.00 C ATOM 905 NE ARG A 63 -13.213 24.682 -29.052 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.956 25.472 -28.286 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.921 25.346 -26.967 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.736 26.393 -28.840 1.00 0.00 N ATOM 0 H ARG A 63 -15.053 20.723 -27.194 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.381 20.095 -26.858 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.936 22.634 -26.232 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.186 22.551 -26.246 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.634 21.526 -28.693 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.114 22.451 -28.535 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.820 24.019 -27.637 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.558 23.418 -29.262 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.262 24.806 -30.063 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.322 24.641 -26.538 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.493 25.954 -26.381 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.765 26.494 -29.855 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.307 27.000 -28.251 1.00 0.00 H new ATOM 922 N GLN A 64 -13.975 20.473 -24.034 1.00 0.00 N ATOM 923 CA GLN A 64 -13.869 20.317 -22.588 1.00 0.00 C ATOM 924 C GLN A 64 -13.580 18.866 -22.217 1.00 0.00 C ATOM 925 O GLN A 64 -12.810 18.593 -21.296 1.00 0.00 O ATOM 926 CB GLN A 64 -15.157 20.783 -21.907 1.00 0.00 C ATOM 927 CG GLN A 64 -15.196 22.278 -21.636 1.00 0.00 C ATOM 928 CD GLN A 64 -16.080 22.635 -20.457 1.00 0.00 C ATOM 929 OE1 GLN A 64 -15.743 22.354 -19.307 1.00 0.00 O ATOM 930 NE2 GLN A 64 -17.218 23.258 -20.738 1.00 0.00 N ATOM 0 H GLN A 64 -14.928 20.591 -24.377 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.040 20.934 -22.241 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.007 20.514 -22.534 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.274 20.248 -20.964 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.184 22.636 -21.448 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.556 22.795 -22.525 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.457 23.471 -21.706 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.853 23.524 -19.986 1.00 0.00 H new ATOM 939 N ARG A 65 -14.202 17.941 -22.939 1.00 0.00 N ATOM 940 CA ARG A 65 -14.012 16.518 -22.685 1.00 0.00 C ATOM 941 C ARG A 65 -12.601 16.081 -23.065 1.00 0.00 C ATOM 942 O ARG A 65 -11.963 15.313 -22.343 1.00 0.00 O ATOM 943 CB ARG A 65 -15.039 15.697 -23.467 1.00 0.00 C ATOM 944 CG ARG A 65 -16.457 15.830 -22.936 1.00 0.00 C ATOM 945 CD ARG A 65 -17.450 15.071 -23.802 1.00 0.00 C ATOM 946 NE ARG A 65 -18.456 14.377 -23.001 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.203 13.287 -22.286 1.00 0.00 C ATOM 948 NH1 ARG A 65 -16.982 12.769 -22.272 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.171 12.713 -21.584 1.00 0.00 N ATOM 0 H ARG A 65 -14.842 18.151 -23.705 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.153 16.344 -21.618 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.021 16.008 -24.512 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.748 14.647 -23.442 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.501 15.453 -21.914 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.735 16.883 -22.899 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.944 15.766 -24.481 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.915 14.348 -24.418 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.405 14.751 -22.991 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.236 13.208 -22.811 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.789 11.932 -21.722 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.111 13.109 -21.593 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.975 11.876 -21.035 1.00 0.00 H new ATOM 963 N ILE A 66 -12.120 16.574 -24.201 1.00 0.00 N ATOM 964 CA ILE A 66 -10.784 16.235 -24.676 1.00 0.00 C ATOM 965 C ILE A 66 -9.717 16.691 -23.687 1.00 0.00 C ATOM 966 O ILE A 66 -8.740 15.982 -23.439 1.00 0.00 O ATOM 967 CB ILE A 66 -10.498 16.866 -26.051 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.555 16.429 -27.067 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.105 16.485 -26.530 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.525 17.228 -28.352 1.00 0.00 C ATOM 0 H ILE A 66 -12.635 17.210 -24.810 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.748 15.150 -24.770 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.543 17.951 -25.953 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.408 15.375 -27.301 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.542 16.521 -26.614 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.918 16.939 -27.503 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.364 16.842 -25.815 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.034 15.401 -26.616 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.301 16.864 -29.025 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.702 18.280 -28.130 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.550 17.116 -28.827 1.00 0.00 H new ATOM 982 N LEU A 67 -9.910 17.879 -23.123 1.00 0.00 N ATOM 983 CA LEU A 67 -8.964 18.430 -22.159 1.00 0.00 C ATOM 984 C LEU A 67 -8.683 17.432 -21.040 1.00 0.00 C ATOM 985 O LEU A 67 -7.528 17.131 -20.741 1.00 0.00 O ATOM 986 CB LEU A 67 -9.508 19.733 -21.570 1.00 0.00 C ATOM 987 CG LEU A 67 -9.319 20.987 -22.426 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.402 22.010 -22.120 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.938 21.584 -22.198 1.00 0.00 C ATOM 0 H LEU A 67 -10.712 18.478 -23.317 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.029 18.636 -22.681 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.573 19.605 -21.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.029 19.900 -20.605 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.402 20.704 -23.475 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.251 22.895 -22.738 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.380 21.580 -22.335 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.352 22.289 -21.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.821 22.475 -22.815 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.827 21.852 -21.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.176 20.853 -22.468 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.746 16.922 -20.428 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.613 15.957 -19.343 1.00 0.00 C ATOM 1003 C GLN A 68 -8.734 14.783 -19.764 1.00 0.00 C ATOM 1004 O GLN A 68 -7.774 14.436 -19.077 1.00 0.00 O ATOM 1005 CB GLN A 68 -10.990 15.449 -18.912 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.235 15.553 -17.415 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.656 15.965 -17.084 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.143 16.991 -17.558 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.329 15.164 -16.265 1.00 0.00 N ATOM 0 H GLN A 68 -10.709 17.161 -20.665 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.139 16.459 -18.500 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.758 16.016 -19.438 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.096 14.408 -19.218 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.021 14.592 -16.948 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.542 16.277 -16.987 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.885 14.323 -15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.289 15.390 -16.006 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.069 14.176 -20.898 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.310 13.043 -21.411 1.00 0.00 C ATOM 1020 C ALA A 69 -6.833 13.394 -21.559 1.00 0.00 C ATOM 1021 O ALA A 69 -5.959 12.605 -21.199 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.881 12.585 -22.745 1.00 0.00 C ATOM 0 H ALA A 69 -9.861 14.450 -21.479 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.393 12.227 -20.693 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.304 11.738 -23.116 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.921 12.286 -22.612 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.828 13.403 -23.464 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.562 14.580 -22.092 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.191 15.035 -22.287 1.00 0.00 C ATOM 1030 C ILE A 70 -4.504 15.299 -20.952 1.00 0.00 C ATOM 1031 O ILE A 70 -3.280 15.219 -20.846 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.138 16.315 -23.141 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.792 16.073 -24.503 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.699 16.778 -23.313 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.166 17.347 -25.228 1.00 0.00 C ATOM 0 H ILE A 70 -7.274 15.244 -22.397 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.666 14.237 -22.811 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.693 17.100 -22.627 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.110 15.496 -25.127 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.687 15.467 -24.365 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.678 17.684 -23.919 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.264 16.985 -22.335 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.122 15.997 -23.808 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.624 17.100 -26.186 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.873 17.916 -24.624 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.271 17.945 -25.398 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.300 15.611 -19.935 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.768 15.886 -18.605 1.00 0.00 C ATOM 1049 C GLN A 71 -4.407 14.591 -17.885 1.00 0.00 C ATOM 1050 O GLN A 71 -3.455 14.547 -17.105 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.785 16.676 -17.780 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.661 18.183 -17.941 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.500 18.949 -16.938 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.174 19.003 -15.752 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -7.588 19.547 -17.409 1.00 0.00 N ATOM 0 H GLN A 71 -6.315 15.680 -20.006 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.862 16.481 -18.719 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.791 16.370 -18.068 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.664 16.420 -16.727 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.616 18.471 -17.830 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.963 18.463 -18.950 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.820 19.476 -18.400 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.191 20.077 -16.780 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.174 13.539 -18.150 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.935 12.242 -17.527 1.00 0.00 C ATOM 1066 C LEU A 72 -3.765 11.525 -18.193 1.00 0.00 C ATOM 1067 O LEU A 72 -3.097 10.696 -17.574 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.193 11.375 -17.610 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.438 11.932 -16.920 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.591 10.946 -17.022 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.140 12.258 -15.463 1.00 0.00 C ATOM 0 H LEU A 72 -5.966 13.559 -18.792 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.685 12.410 -16.479 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.428 11.210 -18.662 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.968 10.400 -17.177 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.729 12.853 -17.426 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.469 11.360 -16.525 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.821 10.762 -18.072 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.311 10.008 -16.542 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.038 12.653 -14.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.824 11.353 -14.945 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.345 13.002 -15.412 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.521 11.851 -19.458 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.429 11.239 -20.208 1.00 0.00 C ATOM 1085 C LEU A 73 -1.114 11.349 -19.443 1.00 0.00 C ATOM 1086 O LEU A 73 -0.951 12.190 -18.558 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.292 11.904 -21.579 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.229 11.388 -22.672 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.107 12.240 -23.926 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.932 9.929 -22.985 1.00 0.00 C ATOM 0 H LEU A 73 -4.064 12.535 -19.985 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.661 10.183 -20.344 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.460 12.974 -21.460 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.264 11.779 -21.920 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.254 11.459 -22.308 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.781 11.858 -24.693 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.371 13.271 -23.692 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.081 12.202 -24.293 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.608 9.579 -23.765 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.902 9.833 -23.328 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.073 9.328 -22.086 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.152 10.482 -19.792 1.00 0.00 N ATOM 1103 CA PRO A 74 1.167 10.464 -19.153 1.00 0.00 C ATOM 1104 C PRO A 74 2.003 11.687 -19.513 1.00 0.00 C ATOM 1105 O PRO A 74 2.183 12.003 -20.689 1.00 0.00 O ATOM 1106 CB PRO A 74 1.813 9.192 -19.709 1.00 0.00 C ATOM 1107 CG PRO A 74 1.132 8.961 -21.014 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.278 9.453 -20.838 1.00 0.00 C ATOM 0 HA PRO A 74 1.093 10.481 -18.066 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.888 9.318 -19.840 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.671 8.348 -19.034 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.635 9.499 -21.817 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.146 7.904 -21.280 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.677 9.868 -21.764 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.949 8.650 -20.533 1.00 0.00 H new