USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 180:sc= 1.29 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 1.01 K(o=2.3,f=-5.6!) USER MOD Single : A 13 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.36) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00196 USER MOD Single : A 17 GLN : amide:sc= -0.0863 K(o=-0.086,f=-0.81) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0434 X(o=-0.043,f=-0.47) USER MOD Single : A 29 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.95) 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= 0.83 K(o=0.83,f=-2.1!) USER MOD Single : A 38 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.3) USER MOD Single : A 40 GLN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 42 MET CE :methyl 142:sc= -0.501 (180deg=-3.61!) USER MOD Single : A 47 MET CE :methyl -109:sc= -3.88! (180deg=-9.72!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0091) 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=-0.0036) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.073 4.305 -25.925 1.00 0.00 N ATOM 146 CA GLN A 13 -1.348 4.553 -26.587 1.00 0.00 C ATOM 147 C GLN A 13 -1.169 5.483 -27.783 1.00 0.00 C ATOM 148 O GLN A 13 -0.183 6.214 -27.872 1.00 0.00 O ATOM 149 CB GLN A 13 -2.350 5.157 -25.602 1.00 0.00 C ATOM 150 CG GLN A 13 -3.715 4.488 -25.636 1.00 0.00 C ATOM 151 CD GLN A 13 -4.575 4.855 -24.442 1.00 0.00 C ATOM 152 OE1 GLN A 13 -4.118 4.816 -23.299 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.827 5.213 -24.701 1.00 0.00 N ATOM 0 HA GLN A 13 -1.733 3.599 -26.946 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.944 5.084 -24.593 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.469 6.218 -25.822 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.232 4.772 -26.552 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.585 3.406 -25.666 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.163 5.231 -25.664 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.452 5.470 -23.937 1.00 0.00 H new ATOM 162 N THR A 14 -2.130 5.450 -28.702 1.00 0.00 N ATOM 163 CA THR A 14 -2.077 6.288 -29.893 1.00 0.00 C ATOM 164 C THR A 14 -3.279 7.224 -29.959 1.00 0.00 C ATOM 165 O THR A 14 -4.326 6.948 -29.375 1.00 0.00 O ATOM 166 CB THR A 14 -2.032 5.438 -31.176 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.313 4.846 -31.418 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.977 4.347 -31.066 1.00 0.00 C ATOM 0 H THR A 14 -2.954 4.852 -28.644 1.00 0.00 H new ATOM 0 HA THR A 14 -1.163 6.878 -29.825 1.00 0.00 H new ATOM 0 HB THR A 14 -1.771 6.092 -32.008 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.276 4.309 -32.237 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.964 3.760 -31.984 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.002 4.801 -30.912 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.212 3.697 -30.223 1.00 0.00 H new ATOM 176 N VAL A 15 -3.120 8.332 -30.676 1.00 0.00 N ATOM 177 CA VAL A 15 -4.193 9.309 -30.820 1.00 0.00 C ATOM 178 C VAL A 15 -5.483 8.643 -31.284 1.00 0.00 C ATOM 179 O VAL A 15 -6.577 9.035 -30.879 1.00 0.00 O ATOM 180 CB VAL A 15 -3.812 10.418 -31.820 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.952 11.412 -31.974 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.537 11.119 -31.376 1.00 0.00 C ATOM 0 H VAL A 15 -2.259 8.575 -31.166 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.350 9.754 -29.838 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.628 9.961 -32.792 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.665 12.188 -32.684 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.839 10.895 -32.341 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.171 11.867 -31.008 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.282 11.899 -32.093 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.690 11.565 -30.393 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.724 10.395 -31.323 1.00 0.00 H new ATOM 192 N GLY A 16 -5.348 7.632 -32.138 1.00 0.00 N ATOM 193 CA GLY A 16 -6.511 6.927 -32.643 1.00 0.00 C ATOM 194 C GLY A 16 -7.274 6.208 -31.548 1.00 0.00 C ATOM 195 O GLY A 16 -8.427 6.535 -31.269 1.00 0.00 O ATOM 0 H GLY A 16 -4.454 7.289 -32.489 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.175 7.636 -33.139 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.196 6.205 -33.396 1.00 0.00 H new ATOM 199 N GLN A 17 -6.630 5.224 -30.929 1.00 0.00 N ATOM 200 CA GLN A 17 -7.257 4.455 -29.860 1.00 0.00 C ATOM 201 C GLN A 17 -7.644 5.359 -28.694 1.00 0.00 C ATOM 202 O GLN A 17 -8.592 5.073 -27.963 1.00 0.00 O ATOM 203 CB GLN A 17 -6.313 3.353 -29.375 1.00 0.00 C ATOM 204 CG GLN A 17 -5.938 2.354 -30.457 1.00 0.00 C ATOM 205 CD GLN A 17 -5.596 0.988 -29.896 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.250 0.501 -28.974 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.566 0.360 -30.452 1.00 0.00 N ATOM 0 H GLN A 17 -5.675 4.940 -31.149 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.163 3.998 -30.258 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.404 3.811 -28.984 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.783 2.821 -28.548 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.766 2.257 -31.160 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.086 2.736 -31.019 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.051 0.801 -31.214 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.290 -0.563 -30.116 1.00 0.00 H new ATOM 216 N TRP A 18 -6.905 6.450 -28.527 1.00 0.00 N ATOM 217 CA TRP A 18 -7.172 7.395 -27.449 1.00 0.00 C ATOM 218 C TRP A 18 -8.537 8.052 -27.626 1.00 0.00 C ATOM 219 O TRP A 18 -9.368 8.035 -26.717 1.00 0.00 O ATOM 220 CB TRP A 18 -6.080 8.465 -27.400 1.00 0.00 C ATOM 221 CG TRP A 18 -6.347 9.541 -26.391 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.490 9.382 -25.042 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.505 10.940 -26.651 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.727 10.598 -24.447 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.741 11.569 -25.413 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.469 11.722 -27.808 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.939 12.943 -25.303 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.666 13.085 -27.697 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.898 13.685 -26.452 1.00 0.00 C ATOM 0 H TRP A 18 -6.117 6.702 -29.124 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.174 6.844 -26.508 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.126 7.990 -27.170 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.981 8.918 -28.386 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.426 8.439 -24.519 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.869 10.752 -23.449 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.290 11.269 -28.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.119 13.407 -24.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.641 13.699 -28.585 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.047 14.753 -26.398 1.00 0.00 H new ATOM 240 N LEU A 19 -8.762 8.630 -28.801 1.00 0.00 N ATOM 241 CA LEU A 19 -10.028 9.293 -29.097 1.00 0.00 C ATOM 242 C LEU A 19 -11.196 8.321 -28.963 1.00 0.00 C ATOM 243 O LEU A 19 -12.288 8.703 -28.544 1.00 0.00 O ATOM 244 CB LEU A 19 -9.999 9.883 -30.508 1.00 0.00 C ATOM 245 CG LEU A 19 -9.116 11.117 -30.702 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.552 11.153 -32.113 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.902 12.386 -30.406 1.00 0.00 C ATOM 0 H LEU A 19 -8.085 8.653 -29.564 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.166 10.099 -28.376 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.663 9.108 -31.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.019 10.142 -30.793 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.283 11.058 -30.002 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.927 12.038 -32.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.953 10.259 -32.289 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.371 11.188 -32.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.259 13.254 -30.549 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.755 12.451 -31.081 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.256 12.363 -29.375 1.00 0.00 H new ATOM 259 N GLU A 20 -10.956 7.063 -29.321 1.00 0.00 N ATOM 260 CA GLU A 20 -11.989 6.037 -29.239 1.00 0.00 C ATOM 261 C GLU A 20 -12.478 5.871 -27.804 1.00 0.00 C ATOM 262 O GLU A 20 -13.619 5.472 -27.568 1.00 0.00 O ATOM 263 CB GLU A 20 -11.455 4.703 -29.766 1.00 0.00 C ATOM 264 CG GLU A 20 -10.999 4.758 -31.214 1.00 0.00 C ATOM 265 CD GLU A 20 -11.746 3.780 -32.099 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.402 2.580 -32.078 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.674 4.214 -32.812 1.00 0.00 O ATOM 0 H GLU A 20 -10.057 6.731 -29.670 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.830 6.353 -29.856 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.619 4.384 -29.143 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.233 3.946 -29.668 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.139 5.769 -31.597 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.931 4.544 -31.263 1.00 0.00 H new ATOM 274 N SER A 21 -11.607 6.179 -26.848 1.00 0.00 N ATOM 275 CA SER A 21 -11.949 6.060 -25.435 1.00 0.00 C ATOM 276 C SER A 21 -12.973 7.117 -25.033 1.00 0.00 C ATOM 277 O SER A 21 -14.090 6.792 -24.629 1.00 0.00 O ATOM 278 CB SER A 21 -10.693 6.196 -24.572 1.00 0.00 C ATOM 279 OG SER A 21 -10.747 5.329 -23.453 1.00 0.00 O ATOM 0 H SER A 21 -10.660 6.513 -27.026 1.00 0.00 H new ATOM 0 HA SER A 21 -12.387 5.075 -25.274 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.811 5.968 -25.170 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.591 7.227 -24.233 1.00 0.00 H new ATOM 0 HG SER A 21 -9.932 5.434 -22.918 1.00 0.00 H new ATOM 285 N ILE A 22 -12.584 8.382 -25.148 1.00 0.00 N ATOM 286 CA ILE A 22 -13.468 9.487 -24.798 1.00 0.00 C ATOM 287 C ILE A 22 -14.811 9.363 -25.508 1.00 0.00 C ATOM 288 O ILE A 22 -15.845 9.772 -24.981 1.00 0.00 O ATOM 289 CB ILE A 22 -12.837 10.847 -25.151 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.429 10.877 -26.625 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.636 11.121 -24.258 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.817 12.191 -27.056 1.00 0.00 C ATOM 0 H ILE A 22 -11.663 8.667 -25.481 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.624 9.437 -23.720 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.577 11.629 -24.982 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.716 10.074 -26.813 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.306 10.675 -27.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.201 12.086 -24.519 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.954 11.137 -23.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.892 10.337 -24.398 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.552 12.140 -28.112 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.536 12.995 -26.901 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.921 12.386 -26.466 1.00 0.00 H new ATOM 304 N GLY A 23 -14.789 8.793 -26.709 1.00 0.00 N ATOM 305 CA GLY A 23 -16.012 8.623 -27.473 1.00 0.00 C ATOM 306 C GLY A 23 -16.162 9.662 -28.566 1.00 0.00 C ATOM 307 O GLY A 23 -17.256 10.178 -28.797 1.00 0.00 O ATOM 0 H GLY A 23 -13.946 8.446 -27.167 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.023 7.628 -27.918 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.868 8.681 -26.801 1.00 0.00 H new ATOM 311 N LEU A 24 -15.060 9.972 -29.240 1.00 0.00 N ATOM 312 CA LEU A 24 -15.073 10.959 -30.315 1.00 0.00 C ATOM 313 C LEU A 24 -14.060 10.599 -31.397 1.00 0.00 C ATOM 314 O LEU A 24 -13.051 11.279 -31.588 1.00 0.00 O ATOM 315 CB LEU A 24 -14.770 12.352 -29.759 1.00 0.00 C ATOM 316 CG LEU A 24 -15.941 13.079 -29.097 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.436 14.213 -28.218 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.905 13.606 -30.149 1.00 0.00 C ATOM 0 H LEU A 24 -14.147 9.555 -29.062 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.068 10.961 -30.761 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.965 12.263 -29.030 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.396 12.973 -30.573 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.476 12.368 -28.467 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.283 14.719 -27.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.786 13.810 -27.442 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.877 14.924 -28.827 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.732 14.120 -29.660 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.382 14.302 -30.805 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.292 12.774 -30.737 1.00 0.00 H new ATOM 330 N PRO A 25 -14.332 9.505 -32.123 1.00 0.00 N ATOM 331 CA PRO A 25 -13.458 9.032 -33.200 1.00 0.00 C ATOM 332 C PRO A 25 -13.475 9.959 -34.410 1.00 0.00 C ATOM 333 O PRO A 25 -12.540 9.965 -35.211 1.00 0.00 O ATOM 334 CB PRO A 25 -14.050 7.668 -33.564 1.00 0.00 C ATOM 335 CG PRO A 25 -15.481 7.756 -33.161 1.00 0.00 C ATOM 336 CD PRO A 25 -15.516 8.646 -31.950 1.00 0.00 C ATOM 0 HA PRO A 25 -12.414 8.990 -32.889 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.951 7.465 -34.630 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.539 6.862 -33.038 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.089 8.169 -33.966 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.883 6.769 -32.932 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.434 9.231 -31.908 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.463 8.070 -31.026 1.00 0.00 H new ATOM 344 N GLN A 26 -14.542 10.741 -34.536 1.00 0.00 N ATOM 345 CA GLN A 26 -14.679 11.672 -35.650 1.00 0.00 C ATOM 346 C GLN A 26 -13.482 12.615 -35.721 1.00 0.00 C ATOM 347 O GLN A 26 -13.145 13.127 -36.789 1.00 0.00 O ATOM 348 CB GLN A 26 -15.971 12.479 -35.512 1.00 0.00 C ATOM 349 CG GLN A 26 -16.031 13.321 -34.247 1.00 0.00 C ATOM 350 CD GLN A 26 -17.380 13.246 -33.559 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.803 12.181 -33.111 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.063 14.382 -33.472 1.00 0.00 N ATOM 0 H GLN A 26 -15.324 10.749 -33.881 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.718 11.093 -36.572 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.076 13.132 -36.378 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.820 11.795 -35.524 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.256 12.988 -33.556 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.811 14.359 -34.496 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.673 15.242 -33.858 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.977 14.394 -33.019 1.00 0.00 H new ATOM 361 N TYR A 27 -12.844 12.840 -34.578 1.00 0.00 N ATOM 362 CA TYR A 27 -11.686 13.724 -34.511 1.00 0.00 C ATOM 363 C TYR A 27 -10.388 12.930 -34.620 1.00 0.00 C ATOM 364 O TYR A 27 -9.398 13.245 -33.961 1.00 0.00 O ATOM 365 CB TYR A 27 -11.702 14.520 -33.205 1.00 0.00 C ATOM 366 CG TYR A 27 -12.903 15.428 -33.063 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.326 16.223 -34.121 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.615 15.489 -31.872 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.422 17.054 -33.995 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.713 16.316 -31.738 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.113 17.097 -32.802 1.00 0.00 C ATOM 372 OH TYR A 27 -16.206 17.923 -32.674 1.00 0.00 O ATOM 0 H TYR A 27 -13.109 12.423 -33.686 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.739 14.416 -35.352 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.681 13.825 -32.366 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.794 15.120 -33.144 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.789 16.191 -35.057 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.305 14.879 -31.036 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.736 17.667 -34.827 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.256 16.351 -30.805 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.579 17.834 -31.772 1.00 0.00 H new ATOM 382 N GLU A 28 -10.401 11.899 -35.458 1.00 0.00 N ATOM 383 CA GLU A 28 -9.226 11.059 -35.655 1.00 0.00 C ATOM 384 C GLU A 28 -8.313 11.643 -36.729 1.00 0.00 C ATOM 385 O GLU A 28 -7.090 11.537 -36.645 1.00 0.00 O ATOM 386 CB GLU A 28 -9.644 9.639 -36.042 1.00 0.00 C ATOM 387 CG GLU A 28 -8.478 8.672 -36.162 1.00 0.00 C ATOM 388 CD GLU A 28 -8.879 7.237 -35.880 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.082 6.923 -36.001 1.00 0.00 O ATOM 390 OE2 GLU A 28 -7.991 6.428 -35.539 1.00 0.00 O ATOM 0 H GLU A 28 -11.213 11.625 -36.012 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.676 11.024 -34.715 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.344 9.260 -35.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.176 9.672 -36.992 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.058 8.737 -37.166 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.692 8.969 -35.468 1.00 0.00 H new ATOM 397 N ASN A 29 -8.918 12.260 -37.739 1.00 0.00 N ATOM 398 CA ASN A 29 -8.160 12.860 -38.832 1.00 0.00 C ATOM 399 C ASN A 29 -7.792 14.305 -38.508 1.00 0.00 C ATOM 400 O ASN A 29 -6.802 14.833 -39.015 1.00 0.00 O ATOM 401 CB ASN A 29 -8.968 12.806 -40.130 1.00 0.00 C ATOM 402 CG ASN A 29 -8.284 13.540 -41.267 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.332 14.767 -41.347 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.643 12.788 -42.155 1.00 0.00 N ATOM 0 H ASN A 29 -9.930 12.358 -37.824 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.240 12.289 -38.961 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.124 11.765 -40.415 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.953 13.241 -39.960 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.165 13.225 -42.943 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.629 11.774 -42.049 1.00 0.00 H new ATOM 411 N HIS A 30 -8.595 14.939 -37.660 1.00 0.00 N ATOM 412 CA HIS A 30 -8.353 16.323 -37.268 1.00 0.00 C ATOM 413 C HIS A 30 -6.953 16.486 -36.685 1.00 0.00 C ATOM 414 O HIS A 30 -6.094 17.140 -37.279 1.00 0.00 O ATOM 415 CB HIS A 30 -9.398 16.776 -36.248 1.00 0.00 C ATOM 416 CG HIS A 30 -10.667 17.272 -36.870 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.568 16.444 -37.505 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.185 18.520 -36.951 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.584 17.161 -37.951 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.376 18.424 -37.627 1.00 0.00 N ATOM 0 H HIS A 30 -9.419 14.517 -37.231 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.431 16.946 -38.159 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.630 15.944 -35.584 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.972 17.567 -35.631 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.743 19.423 -36.557 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.439 16.779 -38.489 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.999 19.202 -37.844 1.00 0.00 H new ATOM 428 N LEU A 31 -6.729 15.887 -35.521 1.00 0.00 N ATOM 429 CA LEU A 31 -5.432 15.966 -34.857 1.00 0.00 C ATOM 430 C LEU A 31 -4.321 15.459 -35.771 1.00 0.00 C ATOM 431 O LEU A 31 -3.280 16.100 -35.914 1.00 0.00 O ATOM 432 CB LEU A 31 -5.451 15.156 -33.560 1.00 0.00 C ATOM 433 CG LEU A 31 -6.198 15.787 -32.385 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.428 14.966 -32.032 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.279 15.920 -31.179 1.00 0.00 C ATOM 0 H LEU A 31 -7.428 15.341 -35.017 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.235 17.012 -34.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.898 14.184 -33.769 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.421 14.974 -33.254 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.525 16.784 -32.680 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.947 15.430 -31.193 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.095 14.922 -32.893 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.125 13.956 -31.756 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.827 16.371 -30.352 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.922 14.934 -30.883 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.429 16.551 -31.437 1.00 0.00 H new ATOM 447 N MET A 32 -4.550 14.305 -36.389 1.00 0.00 N ATOM 448 CA MET A 32 -3.570 13.714 -37.292 1.00 0.00 C ATOM 449 C MET A 32 -3.125 14.722 -38.347 1.00 0.00 C ATOM 450 O MET A 32 -1.955 15.097 -38.406 1.00 0.00 O ATOM 451 CB MET A 32 -4.153 12.472 -37.970 1.00 0.00 C ATOM 452 CG MET A 32 -4.099 11.225 -37.102 1.00 0.00 C ATOM 453 SD MET A 32 -2.600 10.259 -37.366 1.00 0.00 S ATOM 454 CE MET A 32 -2.541 9.305 -35.851 1.00 0.00 C ATOM 0 H MET A 32 -5.406 13.761 -36.281 1.00 0.00 H new ATOM 0 HA MET A 32 -2.700 13.423 -36.703 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.189 12.670 -38.244 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.609 12.284 -38.896 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.160 11.514 -36.053 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.969 10.603 -37.312 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.665 8.656 -35.864 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.480 9.981 -34.998 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.442 8.697 -35.768 1.00 0.00 H new ATOM 464 N ALA A 33 -4.067 15.156 -39.178 1.00 0.00 N ATOM 465 CA ALA A 33 -3.772 16.122 -40.229 1.00 0.00 C ATOM 466 C ALA A 33 -3.054 17.344 -39.666 1.00 0.00 C ATOM 467 O ALA A 33 -2.065 17.809 -40.230 1.00 0.00 O ATOM 468 CB ALA A 33 -5.053 16.539 -40.937 1.00 0.00 C ATOM 0 H ALA A 33 -5.041 14.854 -39.144 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.109 15.645 -40.951 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.818 17.261 -41.719 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.525 15.663 -41.381 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.735 16.993 -40.218 1.00 0.00 H new ATOM 474 N ASN A 34 -3.560 17.860 -38.551 1.00 0.00 N ATOM 475 CA ASN A 34 -2.968 19.030 -37.913 1.00 0.00 C ATOM 476 C ASN A 34 -1.485 18.804 -37.633 1.00 0.00 C ATOM 477 O ASN A 34 -0.699 19.750 -37.592 1.00 0.00 O ATOM 478 CB ASN A 34 -3.701 19.352 -36.609 1.00 0.00 C ATOM 479 CG ASN A 34 -4.795 20.385 -36.801 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.534 21.588 -36.806 1.00 0.00 O ATOM 481 ND2 ASN A 34 -6.028 19.918 -36.959 1.00 0.00 N ATOM 0 H ASN A 34 -4.379 17.486 -38.071 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.067 19.874 -38.595 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.135 18.438 -36.204 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.985 19.718 -35.873 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.805 20.565 -37.091 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.198 18.912 -36.948 1.00 0.00 H new ATOM 488 N GLY A 35 -1.110 17.543 -37.441 1.00 0.00 N ATOM 489 CA GLY A 35 0.277 17.215 -37.167 1.00 0.00 C ATOM 490 C GLY A 35 0.490 16.732 -35.746 1.00 0.00 C ATOM 491 O GLY A 35 1.578 16.878 -35.189 1.00 0.00 O ATOM 0 H GLY A 35 -1.742 16.743 -37.470 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.609 16.444 -37.863 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.897 18.094 -37.345 1.00 0.00 H new ATOM 495 N PHE A 36 -0.553 16.156 -35.157 1.00 0.00 N ATOM 496 CA PHE A 36 -0.476 15.652 -33.791 1.00 0.00 C ATOM 497 C PHE A 36 -0.481 14.126 -33.773 1.00 0.00 C ATOM 498 O PHE A 36 -1.532 13.500 -33.638 1.00 0.00 O ATOM 499 CB PHE A 36 -1.646 16.187 -32.961 1.00 0.00 C ATOM 500 CG PHE A 36 -1.308 17.422 -32.175 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.406 17.365 -31.125 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.893 18.638 -32.486 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.093 18.500 -30.400 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.584 19.776 -31.765 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.683 19.706 -30.720 1.00 0.00 C ATOM 0 H PHE A 36 -1.461 16.027 -35.604 1.00 0.00 H new ATOM 0 HA PHE A 36 0.460 16.000 -33.354 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.482 16.406 -33.625 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.980 15.409 -32.274 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.058 16.424 -30.870 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.599 18.698 -33.301 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.612 18.443 -29.584 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.046 20.719 -32.018 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.441 20.594 -30.154 1.00 0.00 H new ATOM 515 N ASP A 37 0.701 13.535 -33.909 1.00 0.00 N ATOM 516 CA ASP A 37 0.834 12.083 -33.909 1.00 0.00 C ATOM 517 C ASP A 37 1.750 11.622 -32.779 1.00 0.00 C ATOM 518 O ASP A 37 2.383 10.572 -32.870 1.00 0.00 O ATOM 519 CB ASP A 37 1.379 11.599 -35.253 1.00 0.00 C ATOM 520 CG ASP A 37 2.801 12.061 -35.502 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.978 13.158 -36.073 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.738 11.327 -35.125 1.00 0.00 O ATOM 0 H ASP A 37 1.581 14.039 -34.021 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.155 11.652 -33.751 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.343 10.510 -35.285 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.736 11.963 -36.055 1.00 0.00 H new ATOM 527 N ASN A 38 1.816 12.417 -31.716 1.00 0.00 N ATOM 528 CA ASN A 38 2.656 12.091 -30.569 1.00 0.00 C ATOM 529 C ASN A 38 1.864 12.191 -29.269 1.00 0.00 C ATOM 530 O ASN A 38 1.846 13.236 -28.618 1.00 0.00 O ATOM 531 CB ASN A 38 3.866 13.026 -30.514 1.00 0.00 C ATOM 532 CG ASN A 38 5.056 12.392 -29.822 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.898 11.533 -28.954 1.00 0.00 O ATOM 534 ND2 ASN A 38 6.256 12.812 -30.204 1.00 0.00 N ATOM 0 H ASN A 38 1.298 13.291 -31.625 1.00 0.00 H new ATOM 0 HA ASN A 38 3.003 11.064 -30.685 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.148 13.311 -31.528 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.591 13.942 -29.991 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.094 12.421 -29.774 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.340 13.526 -30.927 1.00 0.00 H new ATOM 541 N VAL A 39 1.209 11.095 -28.895 1.00 0.00 N ATOM 542 CA VAL A 39 0.416 11.058 -27.672 1.00 0.00 C ATOM 543 C VAL A 39 1.265 11.414 -26.457 1.00 0.00 C ATOM 544 O VAL A 39 0.780 12.032 -25.510 1.00 0.00 O ATOM 545 CB VAL A 39 -0.216 9.670 -27.456 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.170 9.697 -26.272 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.930 9.207 -28.717 1.00 0.00 C ATOM 0 H VAL A 39 1.212 10.222 -29.422 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.378 11.796 -27.785 1.00 0.00 H new ATOM 0 HB VAL A 39 0.579 8.958 -27.235 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.607 8.708 -26.134 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.625 9.981 -25.372 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.963 10.421 -26.460 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.370 8.225 -28.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.716 9.918 -28.972 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.216 9.146 -29.538 1.00 0.00 H new ATOM 557 N GLN A 40 2.533 11.018 -26.491 1.00 0.00 N ATOM 558 CA GLN A 40 3.449 11.296 -25.391 1.00 0.00 C ATOM 559 C GLN A 40 3.474 12.786 -25.066 1.00 0.00 C ATOM 560 O GLN A 40 3.345 13.181 -23.907 1.00 0.00 O ATOM 561 CB GLN A 40 4.858 10.813 -25.739 1.00 0.00 C ATOM 562 CG GLN A 40 4.955 9.310 -25.939 1.00 0.00 C ATOM 563 CD GLN A 40 6.372 8.847 -26.214 1.00 0.00 C ATOM 564 OE1 GLN A 40 6.639 8.193 -27.223 1.00 0.00 O ATOM 565 NE2 GLN A 40 7.290 9.185 -25.317 1.00 0.00 N ATOM 0 H GLN A 40 2.949 10.504 -27.268 1.00 0.00 H new ATOM 0 HA GLN A 40 3.095 10.758 -24.512 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.190 11.314 -26.648 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.541 11.110 -24.943 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.578 8.804 -25.050 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.313 9.016 -26.770 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.025 9.728 -24.495 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.261 8.902 -25.449 1.00 0.00 H new ATOM 574 N PHE A 41 3.642 13.608 -26.096 1.00 0.00 N ATOM 575 CA PHE A 41 3.686 15.055 -25.920 1.00 0.00 C ATOM 576 C PHE A 41 2.395 15.565 -25.286 1.00 0.00 C ATOM 577 O PHE A 41 2.422 16.237 -24.255 1.00 0.00 O ATOM 578 CB PHE A 41 3.914 15.747 -27.266 1.00 0.00 C ATOM 579 CG PHE A 41 5.363 15.859 -27.644 1.00 0.00 C ATOM 580 CD1 PHE A 41 6.139 14.723 -27.809 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.949 17.100 -27.836 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.473 14.824 -28.157 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.282 17.207 -28.184 1.00 0.00 C ATOM 584 CZ PHE A 41 8.045 16.067 -28.345 1.00 0.00 C ATOM 0 H PHE A 41 3.750 13.297 -27.061 1.00 0.00 H new ATOM 0 HA PHE A 41 4.516 15.290 -25.253 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.386 15.195 -28.043 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.478 16.745 -27.231 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.697 13.748 -27.664 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.357 17.995 -27.712 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.068 13.931 -28.282 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.726 18.180 -28.330 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.087 16.147 -28.617 1.00 0.00 H new ATOM 594 N MET A 42 1.268 15.239 -25.909 1.00 0.00 N ATOM 595 CA MET A 42 -0.033 15.663 -25.405 1.00 0.00 C ATOM 596 C MET A 42 -0.203 15.271 -23.941 1.00 0.00 C ATOM 597 O MET A 42 -0.403 14.100 -23.621 1.00 0.00 O ATOM 598 CB MET A 42 -1.155 15.047 -26.244 1.00 0.00 C ATOM 599 CG MET A 42 -1.241 15.612 -27.652 1.00 0.00 C ATOM 600 SD MET A 42 -1.120 14.336 -28.921 1.00 0.00 S ATOM 601 CE MET A 42 -2.852 14.040 -29.269 1.00 0.00 C ATOM 0 H MET A 42 1.229 14.683 -26.763 1.00 0.00 H new ATOM 0 HA MET A 42 -0.087 16.749 -25.481 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.004 13.969 -26.302 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.107 15.208 -25.738 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.184 16.146 -27.768 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.443 16.340 -27.797 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.984 13.869 -30.337 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.189 13.163 -28.716 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.438 14.908 -28.965 1.00 0.00 H new ATOM 643 N VAL A 46 0.476 21.269 -24.142 1.00 0.00 N ATOM 644 CA VAL A 46 0.126 21.194 -25.555 1.00 0.00 C ATOM 645 C VAL A 46 -1.291 20.663 -25.743 1.00 0.00 C ATOM 646 O VAL A 46 -1.779 19.870 -24.939 1.00 0.00 O ATOM 647 CB VAL A 46 1.107 20.293 -26.330 1.00 0.00 C ATOM 648 CG1 VAL A 46 0.842 20.377 -27.825 1.00 0.00 C ATOM 649 CG2 VAL A 46 2.544 20.675 -26.012 1.00 0.00 C ATOM 0 HA VAL A 46 0.186 22.208 -25.950 1.00 0.00 H new ATOM 0 HB VAL A 46 0.952 19.261 -26.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.544 19.734 -28.356 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.177 20.051 -28.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.968 21.407 -28.160 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.224 20.029 -26.568 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.716 21.713 -26.297 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.724 20.557 -24.943 1.00 0.00 H new ATOM 659 N MET A 47 -1.946 21.107 -26.811 1.00 0.00 N ATOM 660 CA MET A 47 -3.308 20.674 -27.105 1.00 0.00 C ATOM 661 C MET A 47 -4.267 21.113 -26.004 1.00 0.00 C ATOM 662 O MET A 47 -5.083 20.323 -25.529 1.00 0.00 O ATOM 663 CB MET A 47 -3.359 19.154 -27.267 1.00 0.00 C ATOM 664 CG MET A 47 -4.547 18.670 -28.083 1.00 0.00 C ATOM 665 SD MET A 47 -4.365 19.008 -29.844 1.00 0.00 S ATOM 666 CE MET A 47 -5.457 20.415 -30.034 1.00 0.00 C ATOM 0 H MET A 47 -1.557 21.765 -27.486 1.00 0.00 H new ATOM 0 HA MET A 47 -3.618 21.142 -28.040 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.439 18.816 -27.744 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.394 18.692 -26.280 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.672 17.597 -27.934 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.454 19.151 -27.717 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.345 20.114 -30.590 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.752 20.782 -29.051 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.940 21.206 -30.577 1.00 0.00 H new ATOM 676 N GLU A 48 -4.163 22.376 -25.602 1.00 0.00 N ATOM 677 CA GLU A 48 -5.022 22.917 -24.555 1.00 0.00 C ATOM 678 C GLU A 48 -6.390 23.297 -25.116 1.00 0.00 C ATOM 679 O GLU A 48 -6.675 23.072 -26.292 1.00 0.00 O ATOM 680 CB GLU A 48 -4.367 24.138 -23.907 1.00 0.00 C ATOM 681 CG GLU A 48 -2.897 23.937 -23.578 1.00 0.00 C ATOM 682 CD GLU A 48 -2.349 25.021 -22.671 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.023 26.114 -23.180 1.00 0.00 O ATOM 684 OE2 GLU A 48 -2.247 24.776 -21.450 1.00 0.00 O ATOM 0 H GLU A 48 -3.493 23.043 -25.985 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.160 22.144 -23.799 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.467 24.992 -24.577 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.905 24.386 -22.992 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.765 22.967 -23.099 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.321 23.917 -24.503 1.00 0.00 H new ATOM 691 N ASP A 49 -7.231 23.874 -24.266 1.00 0.00 N ATOM 692 CA ASP A 49 -8.569 24.287 -24.675 1.00 0.00 C ATOM 693 C ASP A 49 -8.509 25.163 -25.922 1.00 0.00 C ATOM 694 O ASP A 49 -9.360 25.059 -26.806 1.00 0.00 O ATOM 695 CB ASP A 49 -9.263 25.041 -23.540 1.00 0.00 C ATOM 696 CG ASP A 49 -10.773 24.917 -23.601 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.284 24.378 -24.605 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.443 25.357 -22.644 1.00 0.00 O ATOM 0 H ASP A 49 -7.011 24.067 -23.289 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.143 23.391 -24.909 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.908 24.658 -22.583 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.986 26.094 -23.584 1.00 0.00 H new ATOM 703 N GLN A 50 -7.500 26.026 -25.986 1.00 0.00 N ATOM 704 CA GLN A 50 -7.331 26.921 -27.124 1.00 0.00 C ATOM 705 C GLN A 50 -6.838 26.158 -28.349 1.00 0.00 C ATOM 706 O GLN A 50 -7.342 26.349 -29.456 1.00 0.00 O ATOM 707 CB GLN A 50 -6.349 28.042 -26.778 1.00 0.00 C ATOM 708 CG GLN A 50 -6.908 29.435 -27.016 1.00 0.00 C ATOM 709 CD GLN A 50 -7.821 29.897 -25.898 1.00 0.00 C ATOM 710 OE1 GLN A 50 -7.391 30.054 -24.755 1.00 0.00 O ATOM 711 NE2 GLN A 50 -9.090 30.118 -26.222 1.00 0.00 N ATOM 0 H GLN A 50 -6.787 26.124 -25.263 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.302 27.357 -27.357 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.059 27.950 -25.731 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.443 27.917 -27.372 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.083 30.140 -27.121 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.458 29.446 -27.957 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.404 29.975 -27.182 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.751 30.431 -25.511 1.00 0.00 H new ATOM 720 N ASP A 51 -5.851 25.293 -28.143 1.00 0.00 N ATOM 721 CA ASP A 51 -5.290 24.500 -29.230 1.00 0.00 C ATOM 722 C ASP A 51 -6.371 23.659 -29.903 1.00 0.00 C ATOM 723 O ASP A 51 -6.297 23.376 -31.100 1.00 0.00 O ATOM 724 CB ASP A 51 -4.175 23.594 -28.707 1.00 0.00 C ATOM 725 CG ASP A 51 -3.031 24.379 -28.094 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.195 24.881 -26.962 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.972 24.490 -28.746 1.00 0.00 O ATOM 0 H ASP A 51 -5.423 25.123 -27.233 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.874 25.185 -29.969 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.584 22.912 -27.962 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.795 22.982 -29.525 1.00 0.00 H new ATOM 732 N LEU A 52 -7.373 23.262 -29.127 1.00 0.00 N ATOM 733 CA LEU A 52 -8.469 22.452 -29.647 1.00 0.00 C ATOM 734 C LEU A 52 -9.354 23.270 -30.583 1.00 0.00 C ATOM 735 O LEU A 52 -10.004 22.724 -31.476 1.00 0.00 O ATOM 736 CB LEU A 52 -9.307 21.892 -28.496 1.00 0.00 C ATOM 737 CG LEU A 52 -8.630 20.829 -27.629 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.391 20.639 -26.327 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.524 19.513 -28.385 1.00 0.00 C ATOM 0 H LEU A 52 -7.449 23.488 -28.135 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.040 21.625 -30.212 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.605 22.720 -27.853 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.220 21.466 -28.911 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.622 21.169 -27.390 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.895 19.879 -25.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.414 21.581 -25.778 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.411 20.321 -26.545 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.040 18.768 -27.753 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.522 19.167 -28.654 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.934 19.660 -29.290 1.00 0.00 H new ATOM 751 N LEU A 53 -9.372 24.582 -30.375 1.00 0.00 N ATOM 752 CA LEU A 53 -10.175 25.476 -31.202 1.00 0.00 C ATOM 753 C LEU A 53 -9.439 25.837 -32.488 1.00 0.00 C ATOM 754 O LEU A 53 -10.060 26.155 -33.501 1.00 0.00 O ATOM 755 CB LEU A 53 -10.521 26.748 -30.425 1.00 0.00 C ATOM 756 CG LEU A 53 -11.189 27.864 -31.228 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.472 27.364 -31.873 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.470 29.066 -30.338 1.00 0.00 C ATOM 0 H LEU A 53 -8.840 25.050 -29.641 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.096 24.956 -31.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.179 26.478 -29.599 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.605 27.142 -29.986 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.507 28.174 -32.019 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.933 28.173 -32.440 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.243 26.535 -32.543 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.160 27.025 -31.099 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.946 29.851 -30.926 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.133 28.770 -29.525 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.533 29.440 -29.925 1.00 0.00 H new ATOM 770 N GLU A 54 -8.111 25.783 -32.438 1.00 0.00 N ATOM 771 CA GLU A 54 -7.291 26.103 -33.601 1.00 0.00 C ATOM 772 C GLU A 54 -7.270 24.940 -34.589 1.00 0.00 C ATOM 773 O GLU A 54 -7.388 25.138 -35.798 1.00 0.00 O ATOM 774 CB GLU A 54 -5.863 26.444 -33.167 1.00 0.00 C ATOM 775 CG GLU A 54 -5.798 27.383 -31.974 1.00 0.00 C ATOM 776 CD GLU A 54 -4.891 28.573 -32.218 1.00 0.00 C ATOM 777 OE1 GLU A 54 -4.961 29.157 -33.320 1.00 0.00 O ATOM 778 OE2 GLU A 54 -4.111 28.921 -31.306 1.00 0.00 O ATOM 0 H GLU A 54 -7.581 25.521 -31.607 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.730 26.969 -34.096 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.337 25.522 -32.922 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.336 26.899 -34.006 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.802 27.738 -31.740 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.443 26.833 -31.102 1.00 0.00 H new ATOM 785 N ILE A 55 -7.117 23.729 -34.064 1.00 0.00 N ATOM 786 CA ILE A 55 -7.081 22.535 -34.899 1.00 0.00 C ATOM 787 C ILE A 55 -8.332 22.431 -35.765 1.00 0.00 C ATOM 788 O ILE A 55 -8.315 21.810 -36.827 1.00 0.00 O ATOM 789 CB ILE A 55 -6.951 21.257 -34.049 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.073 21.194 -33.010 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.590 21.207 -33.371 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.239 19.827 -32.383 1.00 0.00 C ATOM 0 H ILE A 55 -7.016 23.549 -33.065 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.205 22.626 -35.541 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.039 20.391 -34.705 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.872 21.923 -32.225 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.011 21.485 -33.482 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.514 20.298 -32.774 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.806 21.211 -34.128 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.474 22.077 -32.724 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.051 19.856 -31.657 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.471 19.097 -33.158 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.314 19.542 -31.882 1.00 0.00 H new ATOM 804 N GLY A 56 -9.417 23.046 -35.304 1.00 0.00 N ATOM 805 CA GLY A 56 -10.661 23.013 -36.050 1.00 0.00 C ATOM 806 C GLY A 56 -11.862 22.752 -35.162 1.00 0.00 C ATOM 807 O GLY A 56 -12.913 23.373 -35.330 1.00 0.00 O ATOM 0 H GLY A 56 -9.456 23.566 -34.428 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.796 23.962 -36.568 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.603 22.238 -36.814 1.00 0.00 H new ATOM 811 N ILE A 57 -11.708 21.832 -34.216 1.00 0.00 N ATOM 812 CA ILE A 57 -12.789 21.491 -33.299 1.00 0.00 C ATOM 813 C ILE A 57 -13.363 22.740 -32.638 1.00 0.00 C ATOM 814 O ILE A 57 -12.724 23.350 -31.779 1.00 0.00 O ATOM 815 CB ILE A 57 -12.314 20.517 -32.206 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.753 19.241 -32.838 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.457 20.186 -31.257 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.194 18.262 -31.829 1.00 0.00 C ATOM 0 H ILE A 57 -10.845 21.309 -34.064 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.565 21.007 -33.892 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.520 20.996 -31.634 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.542 18.751 -33.409 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.968 19.510 -33.545 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.105 19.496 -30.490 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.815 21.101 -30.785 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.271 19.723 -31.815 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.814 17.382 -32.348 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.383 18.734 -31.274 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.981 17.964 -31.137 1.00 0.00 H new ATOM 830 N LEU A 58 -14.572 23.114 -33.041 1.00 0.00 N ATOM 831 CA LEU A 58 -15.234 24.289 -32.485 1.00 0.00 C ATOM 832 C LEU A 58 -16.191 23.896 -31.364 1.00 0.00 C ATOM 833 O LEU A 58 -16.444 24.677 -30.449 1.00 0.00 O ATOM 834 CB LEU A 58 -15.995 25.036 -33.582 1.00 0.00 C ATOM 835 CG LEU A 58 -15.220 25.307 -34.872 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.058 26.132 -35.836 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.906 26.012 -34.566 1.00 0.00 C ATOM 0 H LEU A 58 -15.114 22.621 -33.751 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.468 24.945 -32.070 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.888 24.463 -33.832 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.332 25.990 -33.177 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.995 24.351 -35.346 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.489 26.315 -36.748 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.971 25.590 -36.080 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.315 27.084 -35.372 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.367 26.197 -35.495 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.109 26.961 -34.069 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.299 25.384 -33.914 1.00 0.00 H new ATOM 849 N ASN A 59 -16.718 22.678 -31.443 1.00 0.00 N ATOM 850 CA ASN A 59 -17.646 22.181 -30.433 1.00 0.00 C ATOM 851 C ASN A 59 -17.049 22.309 -29.035 1.00 0.00 C ATOM 852 O ASN A 59 -16.198 21.513 -28.637 1.00 0.00 O ATOM 853 CB ASN A 59 -18.003 20.720 -30.715 1.00 0.00 C ATOM 854 CG ASN A 59 -19.327 20.579 -31.443 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.416 20.826 -32.645 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.362 20.179 -30.714 1.00 0.00 N ATOM 0 H ASN A 59 -16.519 22.018 -32.195 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.552 22.786 -30.478 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.213 20.264 -31.312 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.048 20.172 -29.774 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -21.278 20.065 -31.148 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.241 19.986 -29.720 1.00 0.00 H new ATOM 863 N SER A 60 -17.501 23.316 -28.295 1.00 0.00 N ATOM 864 CA SER A 60 -17.009 23.551 -26.942 1.00 0.00 C ATOM 865 C SER A 60 -17.249 22.331 -26.057 1.00 0.00 C ATOM 866 O SER A 60 -16.379 21.929 -25.286 1.00 0.00 O ATOM 867 CB SER A 60 -17.692 24.778 -26.335 1.00 0.00 C ATOM 868 OG SER A 60 -16.876 25.377 -25.343 1.00 0.00 O ATOM 0 H SER A 60 -18.207 23.982 -28.609 1.00 0.00 H new ATOM 0 HA SER A 60 -15.936 23.732 -26.998 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.908 25.503 -27.119 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.647 24.487 -25.898 1.00 0.00 H new ATOM 0 HG SER A 60 -17.334 26.160 -24.972 1.00 0.00 H new ATOM 874 N GLY A 61 -18.437 21.746 -26.176 1.00 0.00 N ATOM 875 CA GLY A 61 -18.771 20.579 -25.381 1.00 0.00 C ATOM 876 C GLY A 61 -17.791 19.441 -25.583 1.00 0.00 C ATOM 877 O GLY A 61 -17.659 18.566 -24.726 1.00 0.00 O ATOM 0 H GLY A 61 -19.173 22.059 -26.808 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.791 20.855 -24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.774 20.241 -25.641 1.00 0.00 H new ATOM 881 N HIS A 62 -17.101 19.449 -26.719 1.00 0.00 N ATOM 882 CA HIS A 62 -16.128 18.409 -27.031 1.00 0.00 C ATOM 883 C HIS A 62 -14.730 18.821 -26.581 1.00 0.00 C ATOM 884 O HIS A 62 -13.988 18.018 -26.015 1.00 0.00 O ATOM 885 CB HIS A 62 -16.128 18.114 -28.531 1.00 0.00 C ATOM 886 CG HIS A 62 -17.410 17.517 -29.025 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.793 17.548 -30.349 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.398 16.871 -28.363 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.963 16.947 -30.480 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.351 16.527 -29.290 1.00 0.00 N ATOM 0 H HIS A 62 -17.198 20.165 -27.439 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.413 17.506 -26.491 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -15.934 19.039 -29.075 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.308 17.433 -28.759 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.431 16.665 -27.303 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.509 16.821 -31.403 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.218 16.028 -29.091 1.00 0.00 H new ATOM 898 N ARG A 63 -14.377 20.076 -26.837 1.00 0.00 N ATOM 899 CA ARG A 63 -13.067 20.593 -26.461 1.00 0.00 C ATOM 900 C ARG A 63 -12.801 20.372 -24.975 1.00 0.00 C ATOM 901 O ARG A 63 -11.664 20.142 -24.565 1.00 0.00 O ATOM 902 CB ARG A 63 -12.969 22.084 -26.791 1.00 0.00 C ATOM 903 CG ARG A 63 -13.059 22.386 -28.278 1.00 0.00 C ATOM 904 CD ARG A 63 -12.330 23.673 -28.629 1.00 0.00 C ATOM 905 NE ARG A 63 -13.247 24.713 -29.089 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.964 25.474 -28.270 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.872 25.312 -26.957 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.777 26.400 -28.764 1.00 0.00 N ATOM 0 H ARG A 63 -14.980 20.754 -27.303 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.313 20.051 -27.032 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.767 22.615 -26.272 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.025 22.471 -26.407 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.633 21.559 -28.845 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.106 22.468 -28.571 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.785 24.031 -27.756 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.592 23.471 -29.405 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.342 24.863 -30.093 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.249 24.601 -26.573 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.424 25.898 -26.331 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.851 26.527 -29.773 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.327 26.984 -28.134 1.00 0.00 H new ATOM 922 N GLN A 64 -13.859 20.444 -24.173 1.00 0.00 N ATOM 923 CA GLN A 64 -13.739 20.252 -22.732 1.00 0.00 C ATOM 924 C GLN A 64 -13.523 18.781 -22.395 1.00 0.00 C ATOM 925 O GLN A 64 -12.654 18.439 -21.593 1.00 0.00 O ATOM 926 CB GLN A 64 -14.990 20.772 -22.022 1.00 0.00 C ATOM 927 CG GLN A 64 -15.013 22.283 -21.859 1.00 0.00 C ATOM 928 CD GLN A 64 -15.643 22.720 -20.550 1.00 0.00 C ATOM 929 OE1 GLN A 64 -16.712 22.240 -20.172 1.00 0.00 O ATOM 930 NE2 GLN A 64 -14.982 23.634 -19.851 1.00 0.00 N ATOM 0 H GLN A 64 -14.808 20.634 -24.496 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.872 20.816 -22.386 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.871 20.462 -22.583 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.059 20.308 -21.038 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.994 22.666 -21.913 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.564 22.726 -22.689 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.099 24.005 -20.202 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.357 23.966 -18.962 1.00 0.00 H new ATOM 939 N ARG A 65 -14.320 17.914 -23.011 1.00 0.00 N ATOM 940 CA ARG A 65 -14.216 16.479 -22.774 1.00 0.00 C ATOM 941 C ARG A 65 -12.820 15.970 -23.121 1.00 0.00 C ATOM 942 O ARG A 65 -12.267 15.122 -22.420 1.00 0.00 O ATOM 943 CB ARG A 65 -15.263 15.728 -23.599 1.00 0.00 C ATOM 944 CG ARG A 65 -16.475 15.291 -22.791 1.00 0.00 C ATOM 945 CD ARG A 65 -17.368 14.354 -23.590 1.00 0.00 C ATOM 946 NE ARG A 65 -17.937 13.298 -22.757 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.918 12.496 -23.156 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.436 12.630 -24.369 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.382 11.558 -22.340 1.00 0.00 N ATOM 0 H ARG A 65 -15.045 18.180 -23.678 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.398 16.297 -21.715 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.594 16.366 -24.419 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.799 14.849 -24.047 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.146 14.792 -21.879 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -17.046 16.168 -22.486 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.173 14.926 -24.051 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.792 13.906 -24.399 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.561 13.169 -21.818 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.081 13.350 -24.998 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.189 12.013 -24.673 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.985 11.453 -21.406 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.135 10.942 -22.647 1.00 0.00 H new ATOM 963 N ILE A 66 -12.257 16.493 -24.205 1.00 0.00 N ATOM 964 CA ILE A 66 -10.926 16.092 -24.643 1.00 0.00 C ATOM 965 C ILE A 66 -9.854 16.619 -23.695 1.00 0.00 C ATOM 966 O ILE A 66 -8.856 15.945 -23.433 1.00 0.00 O ATOM 967 CB ILE A 66 -10.627 16.595 -26.068 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.673 16.062 -27.049 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.229 16.174 -26.495 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.674 16.781 -28.380 1.00 0.00 C ATOM 0 H ILE A 66 -12.702 17.195 -24.796 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.907 15.002 -24.640 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.674 17.684 -26.072 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.493 15.000 -27.219 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.661 16.149 -26.597 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.032 16.537 -27.504 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.496 16.597 -25.808 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.156 15.087 -26.480 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.440 16.351 -29.025 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.884 17.839 -28.222 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.698 16.672 -28.853 1.00 0.00 H new ATOM 982 N LEU A 67 -10.066 17.826 -23.182 1.00 0.00 N ATOM 983 CA LEU A 67 -9.118 18.443 -22.261 1.00 0.00 C ATOM 984 C LEU A 67 -8.810 17.512 -21.092 1.00 0.00 C ATOM 985 O LEU A 67 -7.647 17.267 -20.773 1.00 0.00 O ATOM 986 CB LEU A 67 -9.674 19.769 -21.739 1.00 0.00 C ATOM 987 CG LEU A 67 -8.998 21.035 -22.268 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.659 22.275 -21.687 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.511 21.020 -21.947 1.00 0.00 C ATOM 0 H LEU A 67 -10.886 18.397 -23.388 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.192 18.633 -22.804 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.735 19.817 -21.985 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.599 19.768 -20.652 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.114 21.060 -23.351 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.165 23.166 -22.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.712 22.292 -21.969 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.575 22.257 -20.600 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.047 21.928 -22.331 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.372 20.970 -20.867 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.047 20.151 -22.413 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.859 16.996 -20.461 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.700 16.091 -19.329 1.00 0.00 C ATOM 1003 C GLN A 68 -8.874 14.870 -19.720 1.00 0.00 C ATOM 1004 O GLN A 68 -7.965 14.466 -18.996 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.068 15.650 -18.805 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.099 15.422 -17.302 1.00 0.00 C ATOM 1007 CD GLN A 68 -11.984 14.256 -16.908 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -11.578 13.097 -16.990 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.203 14.558 -16.475 1.00 0.00 N ATOM 0 H GLN A 68 -10.828 17.189 -20.714 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.172 16.626 -18.540 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.808 16.407 -19.065 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.362 14.730 -19.310 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.085 15.241 -16.945 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.454 16.326 -16.808 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.499 15.533 -16.423 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.843 13.815 -16.195 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.197 14.287 -20.870 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.484 13.113 -21.358 1.00 0.00 C ATOM 1020 C ALA A 69 -6.991 13.395 -21.493 1.00 0.00 C ATOM 1021 O ALA A 69 -6.158 12.560 -21.139 1.00 0.00 O ATOM 1022 CB ALA A 69 -9.061 12.662 -22.691 1.00 0.00 C ATOM 0 H ALA A 69 -9.948 14.609 -21.481 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.611 12.312 -20.630 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.519 11.784 -23.044 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.114 12.412 -22.565 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.963 13.466 -23.420 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.661 14.574 -22.008 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.268 14.964 -22.190 1.00 0.00 C ATOM 1030 C ILE A 70 -4.572 15.157 -20.847 1.00 0.00 C ATOM 1031 O ILE A 70 -3.356 14.997 -20.740 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.150 16.264 -23.008 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.812 16.093 -24.377 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.689 16.660 -23.166 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.122 17.403 -25.067 1.00 0.00 C ATOM 0 H ILE A 70 -7.338 15.276 -22.307 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.782 14.155 -22.736 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.666 17.061 -22.473 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.157 15.501 -25.017 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.736 15.528 -24.256 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.622 17.580 -23.746 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.246 16.818 -22.182 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.151 15.866 -23.683 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.590 17.205 -26.031 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.802 17.988 -24.448 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.198 17.961 -25.220 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.351 15.500 -19.827 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.808 15.713 -18.490 1.00 0.00 C ATOM 1049 C GLN A 71 -4.403 14.390 -17.849 1.00 0.00 C ATOM 1050 O GLN A 71 -3.520 14.348 -16.991 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.834 16.427 -17.608 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.666 17.938 -17.581 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.860 18.522 -16.195 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.953 18.966 -15.843 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -4.796 18.524 -15.400 1.00 0.00 N ATOM 0 H GLN A 71 -6.359 15.636 -19.900 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.920 16.338 -18.582 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.836 16.187 -17.964 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.757 16.043 -16.591 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.671 18.196 -17.944 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.382 18.392 -18.266 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.909 18.146 -15.734 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.865 18.904 -14.456 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.053 13.311 -18.271 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.760 11.984 -17.739 1.00 0.00 C ATOM 1066 C LEU A 72 -3.620 11.327 -18.510 1.00 0.00 C ATOM 1067 O LEU A 72 -2.906 10.476 -17.978 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.008 11.102 -17.800 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.253 11.650 -17.101 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.466 10.790 -17.420 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.030 11.725 -15.597 1.00 0.00 C ATOM 0 H LEU A 72 -5.786 13.329 -18.980 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.452 12.096 -16.699 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.252 10.925 -18.847 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.766 10.134 -17.361 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.441 12.658 -17.471 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.342 11.195 -16.914 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.637 10.787 -18.496 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.289 9.770 -17.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.926 12.117 -15.115 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.817 10.728 -15.211 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.187 12.383 -15.387 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.454 11.728 -19.765 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.398 11.180 -20.610 1.00 0.00 C ATOM 1085 C LEU A 73 -1.041 11.284 -19.922 1.00 0.00 C ATOM 1086 O LEU A 73 -0.840 12.084 -19.009 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.360 11.912 -21.952 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.353 11.428 -23.010 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.326 12.341 -24.226 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -3.045 9.993 -23.412 1.00 0.00 C ATOM 0 H LEU A 73 -4.037 12.430 -20.220 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.616 10.126 -20.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.541 12.971 -21.770 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.353 11.826 -22.361 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.355 11.458 -22.581 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.039 11.980 -24.968 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.595 13.354 -23.926 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.325 12.344 -24.657 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.761 9.665 -24.165 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.036 9.938 -23.822 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.117 9.347 -22.537 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.085 10.458 -20.372 1.00 0.00 N ATOM 1103 CA PRO A 74 1.272 10.440 -19.815 1.00 0.00 C ATOM 1104 C PRO A 74 2.058 11.698 -20.165 1.00 0.00 C ATOM 1105 O PRO A 74 2.095 12.117 -21.322 1.00 0.00 O ATOM 1106 CB PRO A 74 1.908 9.212 -20.472 1.00 0.00 C ATOM 1107 CG PRO A 74 1.153 9.028 -21.743 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.254 9.478 -21.458 1.00 0.00 C ATOM 0 HA PRO A 74 1.266 10.403 -18.726 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.970 9.370 -20.662 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.826 8.334 -19.832 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.595 9.615 -22.548 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.172 7.986 -22.061 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.718 9.927 -22.336 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.888 8.646 -21.153 1.00 0.00 H new