USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 177:sc= 1.27 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.819 K(o=2.1,f=-7.5!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0006) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.4 K(o=-2.4,f=-5.8!) 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=-0.058) USER MOD Single : A 32 MET CE :methyl -173:sc= -0.337 (180deg=-0.411) USER MOD Single : A 34 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.9!) USER MOD Single : A 38 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.5) USER MOD Single : A 40 GLN : amide:sc=-0.00304 X(o=-0.003,f=0) USER MOD Single : A 42 MET CE :methyl 160:sc= -3.33! (180deg=-4.1!) USER MOD Single : A 47 MET CE :methyl -108:sc= -6.37! (180deg=-10.5!) USER MOD Single : A 50 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.085 4.478 -26.060 1.00 0.00 N ATOM 146 CA GLN A 13 -1.299 4.494 -26.869 1.00 0.00 C ATOM 147 C GLN A 13 -1.209 5.551 -27.964 1.00 0.00 C ATOM 148 O GLN A 13 -0.371 6.451 -27.906 1.00 0.00 O ATOM 149 CB GLN A 13 -2.521 4.758 -25.987 1.00 0.00 C ATOM 150 CG GLN A 13 -2.571 6.168 -25.423 1.00 0.00 C ATOM 151 CD GLN A 13 -2.982 6.199 -23.964 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.148 6.375 -23.076 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.274 6.029 -23.709 1.00 0.00 N ATOM 0 HA GLN A 13 -1.405 3.517 -27.341 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.425 4.576 -26.569 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.524 4.045 -25.162 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.591 6.633 -25.530 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.272 6.764 -26.007 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.931 5.886 -24.476 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.610 6.041 -22.746 1.00 0.00 H new ATOM 162 N THR A 14 -2.079 5.437 -28.963 1.00 0.00 N ATOM 163 CA THR A 14 -2.097 6.382 -30.072 1.00 0.00 C ATOM 164 C THR A 14 -3.367 7.225 -30.056 1.00 0.00 C ATOM 165 O THR A 14 -4.387 6.818 -29.500 1.00 0.00 O ATOM 166 CB THR A 14 -1.992 5.658 -31.428 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.227 4.999 -31.728 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.860 4.643 -31.413 1.00 0.00 C ATOM 0 H THR A 14 -2.780 4.699 -29.026 1.00 0.00 H new ATOM 0 HA THR A 14 -1.231 7.032 -29.947 1.00 0.00 H new ATOM 0 HB THR A 14 -1.781 6.401 -32.197 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.153 4.543 -32.592 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.805 4.145 -32.381 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.083 5.152 -31.213 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.045 3.903 -30.634 1.00 0.00 H new ATOM 176 N VAL A 15 -3.298 8.402 -30.669 1.00 0.00 N ATOM 177 CA VAL A 15 -4.444 9.303 -30.726 1.00 0.00 C ATOM 178 C VAL A 15 -5.683 8.582 -31.245 1.00 0.00 C ATOM 179 O VAL A 15 -6.798 8.843 -30.796 1.00 0.00 O ATOM 180 CB VAL A 15 -4.156 10.520 -31.625 1.00 0.00 C ATOM 181 CG1 VAL A 15 -5.349 11.464 -31.644 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.901 11.242 -31.159 1.00 0.00 C ATOM 0 H VAL A 15 -2.461 8.754 -31.133 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.628 9.648 -29.709 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.987 10.167 -32.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.127 12.318 -32.284 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.223 10.939 -32.030 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.553 11.813 -30.632 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.713 12.099 -31.806 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.038 11.585 -30.133 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.051 10.561 -31.204 1.00 0.00 H new ATOM 192 N GLY A 16 -5.479 7.674 -32.194 1.00 0.00 N ATOM 193 CA GLY A 16 -6.589 6.929 -32.759 1.00 0.00 C ATOM 194 C GLY A 16 -7.369 6.165 -31.708 1.00 0.00 C ATOM 195 O GLY A 16 -8.570 6.376 -31.541 1.00 0.00 O ATOM 0 H GLY A 16 -4.565 7.441 -32.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.259 7.617 -33.276 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.211 6.231 -33.506 1.00 0.00 H new ATOM 199 N GLN A 17 -6.685 5.273 -30.998 1.00 0.00 N ATOM 200 CA GLN A 17 -7.323 4.473 -29.959 1.00 0.00 C ATOM 201 C GLN A 17 -7.691 5.336 -28.756 1.00 0.00 C ATOM 202 O GLN A 17 -8.639 5.035 -28.032 1.00 0.00 O ATOM 203 CB GLN A 17 -6.398 3.336 -29.522 1.00 0.00 C ATOM 204 CG GLN A 17 -6.361 2.172 -30.499 1.00 0.00 C ATOM 205 CD GLN A 17 -5.860 0.891 -29.862 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.500 0.338 -28.967 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.711 0.410 -30.322 1.00 0.00 N ATOM 0 H GLN A 17 -5.690 5.086 -31.123 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.238 4.049 -30.372 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.388 3.728 -29.398 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.720 2.971 -28.547 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.361 2.007 -30.900 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.719 2.430 -31.341 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.214 0.901 -31.065 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.326 -0.450 -29.932 1.00 0.00 H new ATOM 216 N TRP A 18 -6.935 6.408 -28.551 1.00 0.00 N ATOM 217 CA TRP A 18 -7.182 7.315 -27.435 1.00 0.00 C ATOM 218 C TRP A 18 -8.532 8.006 -27.585 1.00 0.00 C ATOM 219 O TRP A 18 -9.340 8.020 -26.655 1.00 0.00 O ATOM 220 CB TRP A 18 -6.068 8.358 -27.343 1.00 0.00 C ATOM 221 CG TRP A 18 -6.330 9.419 -26.317 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.471 9.239 -24.971 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.486 10.822 -26.556 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.704 10.447 -24.357 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.717 11.433 -25.308 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.450 11.622 -27.701 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.913 12.806 -25.176 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.645 12.984 -27.569 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.873 13.564 -26.314 1.00 0.00 C ATOM 0 H TRP A 18 -6.146 6.671 -29.142 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.196 6.727 -26.517 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.130 7.857 -27.105 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.940 8.829 -28.318 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.409 8.288 -24.463 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.844 10.586 -23.356 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.273 11.184 -28.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.090 13.256 -24.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.621 13.612 -28.448 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.020 14.632 -26.244 1.00 0.00 H new ATOM 240 N LEU A 19 -8.772 8.579 -28.759 1.00 0.00 N ATOM 241 CA LEU A 19 -10.027 9.273 -29.030 1.00 0.00 C ATOM 242 C LEU A 19 -11.217 8.337 -28.849 1.00 0.00 C ATOM 243 O LEU A 19 -12.280 8.751 -28.388 1.00 0.00 O ATOM 244 CB LEU A 19 -10.021 9.842 -30.450 1.00 0.00 C ATOM 245 CG LEU A 19 -9.240 11.142 -30.649 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.613 11.181 -32.034 1.00 0.00 C ATOM 247 CD2 LEU A 19 -10.146 12.346 -30.438 1.00 0.00 C ATOM 0 H LEU A 19 -8.114 8.577 -29.539 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.122 10.092 -28.317 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.609 9.088 -31.120 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.053 10.011 -30.757 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.440 11.180 -29.909 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.061 12.113 -32.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.932 10.338 -32.149 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.396 11.120 -32.790 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.574 13.262 -30.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.967 12.313 -31.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.547 12.326 -29.425 1.00 0.00 H new ATOM 259 N GLU A 20 -11.029 7.072 -29.214 1.00 0.00 N ATOM 260 CA GLU A 20 -12.088 6.077 -29.091 1.00 0.00 C ATOM 261 C GLU A 20 -12.542 5.942 -27.641 1.00 0.00 C ATOM 262 O GLU A 20 -13.683 5.571 -27.368 1.00 0.00 O ATOM 263 CB GLU A 20 -11.608 4.722 -29.615 1.00 0.00 C ATOM 264 CG GLU A 20 -11.142 4.759 -31.061 1.00 0.00 C ATOM 265 CD GLU A 20 -11.881 3.766 -31.938 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.126 3.838 -31.997 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.213 2.917 -32.564 1.00 0.00 O ATOM 0 H GLU A 20 -10.154 6.713 -29.597 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.936 6.410 -29.689 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.790 4.368 -28.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.418 3.998 -29.521 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.283 5.764 -31.459 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.073 4.548 -31.100 1.00 0.00 H new ATOM 274 N SER A 21 -11.639 6.246 -26.714 1.00 0.00 N ATOM 275 CA SER A 21 -11.944 6.154 -25.291 1.00 0.00 C ATOM 276 C SER A 21 -12.954 7.221 -24.882 1.00 0.00 C ATOM 277 O SER A 21 -14.054 6.908 -24.426 1.00 0.00 O ATOM 278 CB SER A 21 -10.665 6.303 -24.463 1.00 0.00 C ATOM 279 OG SER A 21 -10.620 5.346 -23.419 1.00 0.00 O ATOM 0 H SER A 21 -10.691 6.558 -26.923 1.00 0.00 H new ATOM 0 HA SER A 21 -12.380 5.173 -25.101 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.794 6.184 -25.108 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.615 7.307 -24.043 1.00 0.00 H new ATOM 0 HG SER A 21 -9.793 5.460 -22.906 1.00 0.00 H new ATOM 285 N ILE A 22 -12.573 8.483 -25.049 1.00 0.00 N ATOM 286 CA ILE A 22 -13.446 9.597 -24.699 1.00 0.00 C ATOM 287 C ILE A 22 -14.789 9.488 -25.413 1.00 0.00 C ATOM 288 O ILE A 22 -15.820 9.902 -24.884 1.00 0.00 O ATOM 289 CB ILE A 22 -12.799 10.950 -25.050 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.344 10.960 -26.511 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.627 11.234 -24.122 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.785 12.291 -26.961 1.00 0.00 C ATOM 0 H ILE A 22 -11.666 8.760 -25.424 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.605 9.548 -23.622 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.542 11.736 -24.916 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.585 10.190 -26.652 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.188 10.696 -27.148 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.181 12.194 -24.383 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.979 11.266 -23.091 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.881 10.446 -24.227 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.483 12.224 -28.006 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.548 13.062 -26.853 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.920 12.548 -26.349 1.00 0.00 H new ATOM 304 N GLY A 23 -14.770 8.926 -26.618 1.00 0.00 N ATOM 305 CA GLY A 23 -15.992 8.771 -27.384 1.00 0.00 C ATOM 306 C GLY A 23 -16.134 9.819 -28.469 1.00 0.00 C ATOM 307 O GLY A 23 -17.208 10.392 -28.654 1.00 0.00 O ATOM 0 H GLY A 23 -13.929 8.575 -27.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.010 7.780 -27.837 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.848 8.830 -26.712 1.00 0.00 H new ATOM 311 N LEU A 24 -15.046 10.073 -29.189 1.00 0.00 N ATOM 312 CA LEU A 24 -15.052 11.062 -30.262 1.00 0.00 C ATOM 313 C LEU A 24 -14.037 10.700 -31.341 1.00 0.00 C ATOM 314 O LEU A 24 -13.027 11.377 -31.530 1.00 0.00 O ATOM 315 CB LEU A 24 -14.746 12.452 -29.703 1.00 0.00 C ATOM 316 CG LEU A 24 -15.943 13.241 -29.172 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.478 14.502 -28.460 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.899 13.587 -30.304 1.00 0.00 C ATOM 0 H LEU A 24 -14.149 9.608 -29.049 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.045 11.069 -30.711 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.020 12.346 -28.897 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.268 13.040 -30.487 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.474 12.617 -28.453 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.344 15.051 -28.089 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.834 14.231 -27.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.922 15.129 -29.157 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.745 14.148 -29.907 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.379 14.191 -31.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.259 12.669 -30.770 1.00 0.00 H new ATOM 330 N PRO A 25 -14.311 9.607 -32.069 1.00 0.00 N ATOM 331 CA PRO A 25 -13.435 9.132 -33.145 1.00 0.00 C ATOM 332 C PRO A 25 -13.447 10.060 -34.354 1.00 0.00 C ATOM 333 O PRO A 25 -12.517 10.054 -35.161 1.00 0.00 O ATOM 334 CB PRO A 25 -14.030 7.769 -33.510 1.00 0.00 C ATOM 335 CG PRO A 25 -15.462 7.861 -33.111 1.00 0.00 C ATOM 336 CD PRO A 25 -15.498 8.751 -31.899 1.00 0.00 C ATOM 0 HA PRO A 25 -12.392 9.087 -32.832 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.928 7.566 -34.576 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.523 6.962 -32.982 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.066 8.276 -33.918 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.868 6.875 -32.884 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.415 9.339 -31.859 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.449 8.174 -30.975 1.00 0.00 H new ATOM 344 N GLN A 26 -14.504 10.857 -34.473 1.00 0.00 N ATOM 345 CA GLN A 26 -14.635 11.790 -35.586 1.00 0.00 C ATOM 346 C GLN A 26 -13.432 12.725 -35.656 1.00 0.00 C ATOM 347 O GLN A 26 -13.102 13.249 -36.720 1.00 0.00 O ATOM 348 CB GLN A 26 -15.922 12.606 -35.446 1.00 0.00 C ATOM 349 CG GLN A 26 -16.059 13.300 -34.100 1.00 0.00 C ATOM 350 CD GLN A 26 -17.218 12.766 -33.283 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.206 11.615 -32.844 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.229 13.601 -33.074 1.00 0.00 N ATOM 0 H GLN A 26 -15.281 10.875 -33.813 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.678 11.212 -36.509 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.955 13.355 -36.237 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.778 11.948 -35.595 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.135 13.176 -33.536 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.194 14.370 -34.259 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -18.197 14.546 -33.456 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.037 13.297 -32.531 1.00 0.00 H new ATOM 361 N TYR A 27 -12.780 12.929 -34.517 1.00 0.00 N ATOM 362 CA TYR A 27 -11.615 13.803 -34.449 1.00 0.00 C ATOM 363 C TYR A 27 -10.323 12.999 -34.568 1.00 0.00 C ATOM 364 O TYR A 27 -9.306 13.347 -33.969 1.00 0.00 O ATOM 365 CB TYR A 27 -11.619 14.592 -33.139 1.00 0.00 C ATOM 366 CG TYR A 27 -12.783 15.548 -33.012 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.173 16.346 -34.080 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.495 15.652 -31.823 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.236 17.221 -33.968 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.560 16.523 -31.702 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.927 17.306 -32.777 1.00 0.00 C ATOM 372 OH TYR A 27 -15.987 18.175 -32.661 1.00 0.00 O ATOM 0 H TYR A 27 -13.038 12.501 -33.628 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.666 14.500 -35.285 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.641 13.893 -32.303 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.688 15.154 -33.060 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.636 16.281 -35.015 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.211 15.041 -30.979 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.525 17.835 -34.808 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.103 16.591 -30.771 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.395 18.077 -31.775 1.00 0.00 H new ATOM 382 N GLU A 28 -10.374 11.922 -35.346 1.00 0.00 N ATOM 383 CA GLU A 28 -9.208 11.068 -35.543 1.00 0.00 C ATOM 384 C GLU A 28 -8.342 11.586 -36.687 1.00 0.00 C ATOM 385 O GLU A 28 -7.132 11.362 -36.715 1.00 0.00 O ATOM 386 CB GLU A 28 -9.645 9.630 -35.830 1.00 0.00 C ATOM 387 CG GLU A 28 -8.485 8.658 -35.970 1.00 0.00 C ATOM 388 CD GLU A 28 -8.886 7.366 -36.655 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.103 7.101 -36.756 1.00 0.00 O ATOM 390 OE2 GLU A 28 -7.984 6.619 -37.089 1.00 0.00 O ATOM 0 H GLU A 28 -11.208 11.621 -35.849 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.618 11.085 -34.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.298 9.290 -35.026 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.234 9.614 -36.747 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.685 9.133 -36.538 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.084 8.432 -34.982 1.00 0.00 H new ATOM 397 N ASN A 29 -8.970 12.280 -37.630 1.00 0.00 N ATOM 398 CA ASN A 29 -8.258 12.830 -38.778 1.00 0.00 C ATOM 399 C ASN A 29 -7.820 14.267 -38.510 1.00 0.00 C ATOM 400 O ASN A 29 -6.845 14.749 -39.087 1.00 0.00 O ATOM 401 CB ASN A 29 -9.141 12.779 -40.026 1.00 0.00 C ATOM 402 CG ASN A 29 -8.481 12.036 -41.172 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.599 10.816 -41.285 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.781 12.771 -42.028 1.00 0.00 N ATOM 0 H ASN A 29 -9.971 12.475 -37.622 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.368 12.223 -38.946 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.086 12.295 -39.779 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.376 13.795 -40.343 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.314 12.327 -42.819 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.710 13.780 -41.895 1.00 0.00 H new ATOM 411 N HIS A 30 -8.548 14.947 -37.629 1.00 0.00 N ATOM 412 CA HIS A 30 -8.235 16.329 -37.283 1.00 0.00 C ATOM 413 C HIS A 30 -6.794 16.454 -36.800 1.00 0.00 C ATOM 414 O HIS A 30 -5.985 17.161 -37.404 1.00 0.00 O ATOM 415 CB HIS A 30 -9.193 16.835 -36.204 1.00 0.00 C ATOM 416 CG HIS A 30 -10.371 17.581 -36.751 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.483 16.954 -37.272 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.607 18.910 -36.855 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.351 17.865 -37.674 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.844 19.060 -37.432 1.00 0.00 N ATOM 0 H HIS A 30 -9.358 14.563 -37.142 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.353 16.939 -38.179 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.550 15.987 -35.620 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.647 17.485 -35.521 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.945 19.704 -36.542 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.312 17.666 -38.124 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.297 19.950 -37.640 1.00 0.00 H new ATOM 428 N LEU A 31 -6.478 15.766 -35.709 1.00 0.00 N ATOM 429 CA LEU A 31 -5.134 15.802 -35.144 1.00 0.00 C ATOM 430 C LEU A 31 -4.104 15.318 -36.160 1.00 0.00 C ATOM 431 O LEU A 31 -3.136 16.017 -36.458 1.00 0.00 O ATOM 432 CB LEU A 31 -5.066 14.939 -33.882 1.00 0.00 C ATOM 433 CG LEU A 31 -5.795 15.487 -32.655 1.00 0.00 C ATOM 434 CD1 LEU A 31 -6.786 14.464 -32.122 1.00 0.00 C ATOM 435 CD2 LEU A 31 -4.799 15.881 -31.574 1.00 0.00 C ATOM 0 H LEU A 31 -7.134 15.176 -35.198 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.904 16.835 -34.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.477 13.957 -34.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.018 14.793 -33.622 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.348 16.378 -32.953 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.295 14.872 -31.249 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.519 14.231 -32.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.255 13.555 -31.841 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.336 16.269 -30.708 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.218 15.007 -31.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.129 16.649 -31.959 1.00 0.00 H new ATOM 447 N MET A 32 -4.321 14.119 -36.690 1.00 0.00 N ATOM 448 CA MET A 32 -3.413 13.544 -37.676 1.00 0.00 C ATOM 449 C MET A 32 -3.168 14.518 -38.823 1.00 0.00 C ATOM 450 O MET A 32 -2.101 14.514 -39.436 1.00 0.00 O ATOM 451 CB MET A 32 -3.980 12.231 -38.218 1.00 0.00 C ATOM 452 CG MET A 32 -4.047 11.122 -37.180 1.00 0.00 C ATOM 453 SD MET A 32 -2.747 9.891 -37.394 1.00 0.00 S ATOM 454 CE MET A 32 -2.407 9.458 -35.690 1.00 0.00 C ATOM 0 H MET A 32 -5.117 13.527 -36.454 1.00 0.00 H new ATOM 0 HA MET A 32 -2.461 13.344 -37.184 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.981 12.412 -38.610 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.366 11.898 -39.054 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.970 11.557 -36.184 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.019 10.632 -37.239 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.540 8.799 -35.648 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.203 10.363 -35.118 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.271 8.948 -35.265 1.00 0.00 H new ATOM 464 N ALA A 33 -4.163 15.352 -39.108 1.00 0.00 N ATOM 465 CA ALA A 33 -4.055 16.332 -40.181 1.00 0.00 C ATOM 466 C ALA A 33 -3.291 17.569 -39.720 1.00 0.00 C ATOM 467 O ALA A 33 -2.454 18.100 -40.448 1.00 0.00 O ATOM 468 CB ALA A 33 -5.438 16.721 -40.683 1.00 0.00 C ATOM 0 H ALA A 33 -5.053 15.368 -38.610 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.498 15.877 -41.000 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.341 17.454 -41.484 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.950 15.836 -41.060 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.014 17.152 -39.864 1.00 0.00 H new ATOM 474 N ASN A 34 -3.585 18.021 -38.505 1.00 0.00 N ATOM 475 CA ASN A 34 -2.926 19.197 -37.947 1.00 0.00 C ATOM 476 C ASN A 34 -1.417 18.989 -37.869 1.00 0.00 C ATOM 477 O ASN A 34 -0.640 19.924 -38.059 1.00 0.00 O ATOM 478 CB ASN A 34 -3.482 19.506 -36.555 1.00 0.00 C ATOM 479 CG ASN A 34 -4.676 20.439 -36.604 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.541 21.648 -36.417 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.854 19.880 -36.856 1.00 0.00 N ATOM 0 H ASN A 34 -4.275 17.591 -37.888 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.125 20.042 -38.607 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.771 18.575 -36.067 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.698 19.955 -35.945 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.693 20.458 -36.901 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.919 18.873 -37.005 1.00 0.00 H new ATOM 488 N GLY A 35 -1.008 17.754 -37.590 1.00 0.00 N ATOM 489 CA GLY A 35 0.406 17.445 -37.492 1.00 0.00 C ATOM 490 C GLY A 35 0.812 17.019 -36.095 1.00 0.00 C ATOM 491 O GLY A 35 1.990 17.067 -35.741 1.00 0.00 O ATOM 0 H GLY A 35 -1.631 16.963 -37.430 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.650 16.650 -38.196 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.987 18.320 -37.785 1.00 0.00 H new ATOM 495 N PHE A 36 -0.166 16.603 -35.298 1.00 0.00 N ATOM 496 CA PHE A 36 0.094 16.170 -33.930 1.00 0.00 C ATOM 497 C PHE A 36 0.604 14.732 -33.903 1.00 0.00 C ATOM 498 O PHE A 36 1.793 14.487 -33.702 1.00 0.00 O ATOM 499 CB PHE A 36 -1.175 16.290 -33.084 1.00 0.00 C ATOM 500 CG PHE A 36 -1.199 17.510 -32.209 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.638 17.481 -30.942 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.782 18.686 -32.653 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.658 18.602 -30.134 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.805 19.810 -31.849 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.243 19.768 -30.588 1.00 0.00 C ATOM 0 H PHE A 36 -1.146 16.556 -35.576 1.00 0.00 H new ATOM 0 HA PHE A 36 0.864 16.818 -33.510 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.042 16.309 -33.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.270 15.402 -32.459 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.180 16.572 -30.582 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.223 18.725 -33.638 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.217 18.566 -29.149 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.262 20.721 -32.207 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.261 20.645 -29.958 1.00 0.00 H new ATOM 515 N ASP A 37 -0.306 13.785 -34.106 1.00 0.00 N ATOM 516 CA ASP A 37 0.050 12.371 -34.105 1.00 0.00 C ATOM 517 C ASP A 37 0.815 12.003 -32.837 1.00 0.00 C ATOM 518 O ASP A 37 1.643 11.094 -32.842 1.00 0.00 O ATOM 519 CB ASP A 37 0.890 12.033 -35.338 1.00 0.00 C ATOM 520 CG ASP A 37 0.717 10.594 -35.780 1.00 0.00 C ATOM 521 OD1 ASP A 37 0.650 9.707 -34.903 1.00 0.00 O ATOM 522 OD2 ASP A 37 0.648 10.353 -37.004 1.00 0.00 O ATOM 0 H ASP A 37 -1.295 13.971 -34.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.872 11.790 -34.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.612 12.697 -36.156 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.942 12.219 -35.120 1.00 0.00 H new ATOM 527 N ASN A 38 0.531 12.718 -31.753 1.00 0.00 N ATOM 528 CA ASN A 38 1.194 12.468 -30.478 1.00 0.00 C ATOM 529 C ASN A 38 0.173 12.330 -29.352 1.00 0.00 C ATOM 530 O ASN A 38 -0.873 12.978 -29.366 1.00 0.00 O ATOM 531 CB ASN A 38 2.173 13.599 -30.158 1.00 0.00 C ATOM 532 CG ASN A 38 3.406 13.563 -31.041 1.00 0.00 C ATOM 533 OD1 ASN A 38 3.624 14.458 -31.858 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.218 12.525 -30.881 1.00 0.00 N ATOM 0 H ASN A 38 -0.153 13.474 -31.732 1.00 0.00 H new ATOM 0 HA ASN A 38 1.746 11.532 -30.561 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.669 14.558 -30.281 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.475 13.529 -29.113 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.062 12.446 -31.448 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.997 11.807 -30.191 1.00 0.00 H new ATOM 541 N VAL A 39 0.486 11.482 -28.378 1.00 0.00 N ATOM 542 CA VAL A 39 -0.402 11.260 -27.243 1.00 0.00 C ATOM 543 C VAL A 39 0.272 11.652 -25.933 1.00 0.00 C ATOM 544 O VAL A 39 -0.358 12.234 -25.050 1.00 0.00 O ATOM 545 CB VAL A 39 -0.848 9.789 -27.158 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.926 9.617 -26.098 1.00 0.00 C ATOM 547 CG2 VAL A 39 -1.340 9.302 -28.513 1.00 0.00 C ATOM 0 H VAL A 39 1.348 10.937 -28.352 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.279 11.889 -27.400 1.00 0.00 H new ATOM 0 HB VAL A 39 0.012 9.184 -26.870 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.228 8.571 -26.053 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.535 9.924 -25.128 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.788 10.233 -26.353 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.651 8.260 -28.434 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.186 9.910 -28.833 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.536 9.386 -29.244 1.00 0.00 H new ATOM 557 N GLN A 40 1.556 11.330 -25.815 1.00 0.00 N ATOM 558 CA GLN A 40 2.315 11.648 -24.612 1.00 0.00 C ATOM 559 C GLN A 40 2.693 13.125 -24.582 1.00 0.00 C ATOM 560 O GLN A 40 2.897 13.703 -23.514 1.00 0.00 O ATOM 561 CB GLN A 40 3.576 10.785 -24.536 1.00 0.00 C ATOM 562 CG GLN A 40 4.619 11.138 -25.584 1.00 0.00 C ATOM 563 CD GLN A 40 5.743 10.124 -25.654 1.00 0.00 C ATOM 564 OE1 GLN A 40 6.889 10.425 -25.318 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.421 8.912 -26.092 1.00 0.00 N ATOM 0 H GLN A 40 2.092 10.849 -26.538 1.00 0.00 H new ATOM 0 HA GLN A 40 1.685 11.435 -23.748 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.019 10.890 -23.545 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.297 9.738 -24.652 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.138 11.210 -26.560 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.035 12.121 -25.361 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.459 8.706 -26.360 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.136 8.188 -26.160 1.00 0.00 H new ATOM 574 N PHE A 41 2.786 13.732 -25.761 1.00 0.00 N ATOM 575 CA PHE A 41 3.140 15.142 -25.870 1.00 0.00 C ATOM 576 C PHE A 41 2.023 16.028 -25.327 1.00 0.00 C ATOM 577 O PHE A 41 2.280 17.056 -24.702 1.00 0.00 O ATOM 578 CB PHE A 41 3.432 15.505 -27.327 1.00 0.00 C ATOM 579 CG PHE A 41 4.731 14.950 -27.835 1.00 0.00 C ATOM 580 CD1 PHE A 41 4.879 13.590 -28.059 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.806 15.787 -28.090 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.074 13.076 -28.526 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.003 15.279 -28.557 1.00 0.00 C ATOM 584 CZ PHE A 41 7.137 13.922 -28.776 1.00 0.00 C ATOM 0 H PHE A 41 2.621 13.269 -26.655 1.00 0.00 H new ATOM 0 HA PHE A 41 4.036 15.312 -25.274 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.620 15.138 -27.954 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.446 16.590 -27.427 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.051 12.924 -27.866 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.707 16.849 -27.922 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.177 12.014 -28.695 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.833 15.942 -28.751 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.071 13.523 -29.142 1.00 0.00 H new ATOM 594 N MET A 42 0.782 15.620 -25.570 1.00 0.00 N ATOM 595 CA MET A 42 -0.376 16.376 -25.106 1.00 0.00 C ATOM 596 C MET A 42 -0.333 16.560 -23.592 1.00 0.00 C ATOM 597 O MET A 42 -0.924 17.494 -23.053 1.00 0.00 O ATOM 598 CB MET A 42 -1.670 15.666 -25.508 1.00 0.00 C ATOM 599 CG MET A 42 -1.770 15.385 -26.999 1.00 0.00 C ATOM 600 SD MET A 42 -2.977 14.101 -27.383 1.00 0.00 S ATOM 601 CE MET A 42 -3.339 14.479 -29.096 1.00 0.00 C ATOM 0 H MET A 42 0.552 14.770 -26.085 1.00 0.00 H new ATOM 0 HA MET A 42 -0.349 17.359 -25.575 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.743 14.725 -24.963 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.520 16.277 -25.204 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.043 16.303 -27.520 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.792 15.083 -27.375 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.773 13.603 -29.578 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.046 15.308 -29.144 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.419 14.757 -29.610 1.00 0.00 H new ATOM 643 N VAL A 46 1.081 21.365 -24.549 1.00 0.00 N ATOM 644 CA VAL A 46 0.599 21.398 -25.925 1.00 0.00 C ATOM 645 C VAL A 46 -0.822 20.855 -26.023 1.00 0.00 C ATOM 646 O VAL A 46 -1.250 20.054 -25.193 1.00 0.00 O ATOM 647 CB VAL A 46 1.514 20.584 -26.860 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.397 19.097 -26.559 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.178 20.870 -28.315 1.00 0.00 C ATOM 0 HA VAL A 46 0.608 22.442 -26.238 1.00 0.00 H new ATOM 0 HB VAL A 46 2.546 20.886 -26.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.050 18.538 -27.229 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.691 18.911 -25.526 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.366 18.776 -26.706 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.834 20.287 -28.961 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.141 20.597 -28.509 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.318 21.932 -28.519 1.00 0.00 H new ATOM 659 N MET A 47 -1.549 21.297 -27.044 1.00 0.00 N ATOM 660 CA MET A 47 -2.923 20.853 -27.252 1.00 0.00 C ATOM 661 C MET A 47 -3.817 21.294 -26.098 1.00 0.00 C ATOM 662 O MET A 47 -4.505 20.477 -25.487 1.00 0.00 O ATOM 663 CB MET A 47 -2.973 19.331 -27.399 1.00 0.00 C ATOM 664 CG MET A 47 -4.305 18.815 -27.920 1.00 0.00 C ATOM 665 SD MET A 47 -4.346 18.691 -29.718 1.00 0.00 S ATOM 666 CE MET A 47 -5.246 20.182 -30.139 1.00 0.00 C ATOM 0 H MET A 47 -1.210 21.962 -27.740 1.00 0.00 H new ATOM 0 HA MET A 47 -3.292 21.311 -28.170 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.180 19.013 -28.075 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.769 18.874 -26.431 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.505 17.835 -27.487 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.103 19.479 -27.587 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.247 19.919 -30.479 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.318 20.824 -29.261 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.721 20.712 -30.933 1.00 0.00 H new ATOM 676 N GLU A 48 -3.800 22.591 -25.804 1.00 0.00 N ATOM 677 CA GLU A 48 -4.609 23.139 -24.721 1.00 0.00 C ATOM 678 C GLU A 48 -6.029 23.432 -25.198 1.00 0.00 C ATOM 679 O GLU A 48 -6.386 23.135 -26.338 1.00 0.00 O ATOM 680 CB GLU A 48 -3.970 24.416 -24.173 1.00 0.00 C ATOM 681 CG GLU A 48 -2.531 24.230 -23.719 1.00 0.00 C ATOM 682 CD GLU A 48 -2.142 25.185 -22.608 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.147 26.410 -22.848 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.834 24.706 -21.496 1.00 0.00 O ATOM 0 H GLU A 48 -3.236 23.281 -26.300 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.657 22.395 -23.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.003 25.188 -24.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.563 24.778 -23.333 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.392 23.205 -23.377 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.864 24.376 -24.569 1.00 0.00 H new ATOM 691 N ASP A 49 -6.834 24.015 -24.316 1.00 0.00 N ATOM 692 CA ASP A 49 -8.214 24.349 -24.646 1.00 0.00 C ATOM 693 C ASP A 49 -8.278 25.239 -25.883 1.00 0.00 C ATOM 694 O ASP A 49 -9.272 25.239 -26.608 1.00 0.00 O ATOM 695 CB ASP A 49 -8.888 25.048 -23.464 1.00 0.00 C ATOM 696 CG ASP A 49 -10.399 24.924 -23.503 1.00 0.00 C ATOM 697 OD1 ASP A 49 -10.934 24.509 -24.553 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.046 25.243 -22.484 1.00 0.00 O ATOM 0 H ASP A 49 -6.554 24.266 -23.368 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.745 23.421 -24.861 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.515 24.621 -22.533 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.613 26.103 -23.464 1.00 0.00 H new ATOM 703 N GLN A 50 -7.211 25.996 -26.116 1.00 0.00 N ATOM 704 CA GLN A 50 -7.147 26.893 -27.264 1.00 0.00 C ATOM 705 C GLN A 50 -6.645 26.157 -28.502 1.00 0.00 C ATOM 706 O GLN A 50 -7.200 26.304 -29.591 1.00 0.00 O ATOM 707 CB GLN A 50 -6.236 28.083 -26.959 1.00 0.00 C ATOM 708 CG GLN A 50 -6.984 29.312 -26.470 1.00 0.00 C ATOM 709 CD GLN A 50 -7.915 29.885 -27.521 1.00 0.00 C ATOM 710 OE1 GLN A 50 -9.107 30.072 -27.274 1.00 0.00 O ATOM 711 NE2 GLN A 50 -7.375 30.166 -28.701 1.00 0.00 N ATOM 0 H GLN A 50 -6.379 26.006 -25.526 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.154 27.258 -27.464 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.507 27.788 -26.205 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.677 28.342 -27.858 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.560 29.052 -25.582 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.265 30.075 -26.172 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.382 29.995 -28.861 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.953 30.553 -29.447 1.00 0.00 H new ATOM 720 N ASP A 51 -5.593 25.365 -28.327 1.00 0.00 N ATOM 721 CA ASP A 51 -5.016 24.605 -29.430 1.00 0.00 C ATOM 722 C ASP A 51 -6.057 23.686 -30.060 1.00 0.00 C ATOM 723 O ASP A 51 -5.931 23.289 -31.219 1.00 0.00 O ATOM 724 CB ASP A 51 -3.821 23.784 -28.942 1.00 0.00 C ATOM 725 CG ASP A 51 -2.714 24.652 -28.376 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.919 25.246 -27.297 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.643 24.737 -29.012 1.00 0.00 O ATOM 0 H ASP A 51 -5.122 25.232 -27.432 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.676 25.312 -30.187 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.154 23.082 -28.178 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.428 23.193 -29.769 1.00 0.00 H new ATOM 732 N LEU A 52 -7.085 23.349 -29.289 1.00 0.00 N ATOM 733 CA LEU A 52 -8.149 22.475 -29.771 1.00 0.00 C ATOM 734 C LEU A 52 -9.189 23.266 -30.558 1.00 0.00 C ATOM 735 O LEU A 52 -9.921 22.707 -31.376 1.00 0.00 O ATOM 736 CB LEU A 52 -8.818 21.758 -28.596 1.00 0.00 C ATOM 737 CG LEU A 52 -7.972 20.704 -27.883 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.470 20.491 -26.462 1.00 0.00 C ATOM 739 CD2 LEU A 52 -7.988 19.394 -28.658 1.00 0.00 C ATOM 0 H LEU A 52 -7.204 23.668 -28.327 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.704 21.734 -30.435 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.121 22.507 -27.865 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.728 21.280 -28.959 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.944 21.063 -27.835 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.855 19.737 -25.970 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.406 21.428 -25.910 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.507 20.155 -26.486 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.380 18.655 -28.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.013 19.031 -28.737 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.582 19.557 -29.657 1.00 0.00 H new ATOM 751 N LEU A 53 -9.248 24.569 -30.307 1.00 0.00 N ATOM 752 CA LEU A 53 -10.197 25.438 -30.994 1.00 0.00 C ATOM 753 C LEU A 53 -9.596 25.991 -32.282 1.00 0.00 C ATOM 754 O LEU A 53 -10.319 26.351 -33.211 1.00 0.00 O ATOM 755 CB LEU A 53 -10.619 26.590 -30.079 1.00 0.00 C ATOM 756 CG LEU A 53 -11.351 27.750 -30.755 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.707 27.297 -31.271 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.507 28.916 -29.790 1.00 0.00 C ATOM 0 H LEU A 53 -8.650 25.047 -29.633 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.075 24.845 -31.250 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.261 26.189 -29.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.728 26.984 -29.590 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.756 28.085 -31.605 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.213 28.136 -31.749 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.571 26.495 -31.996 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.311 26.935 -30.439 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.030 29.733 -30.288 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.080 28.594 -28.920 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.523 29.257 -29.470 1.00 0.00 H new ATOM 770 N GLU A 54 -8.269 26.053 -32.331 1.00 0.00 N ATOM 771 CA GLU A 54 -7.571 26.560 -33.506 1.00 0.00 C ATOM 772 C GLU A 54 -7.429 25.472 -34.566 1.00 0.00 C ATOM 773 O GLU A 54 -7.439 25.753 -35.765 1.00 0.00 O ATOM 774 CB GLU A 54 -6.190 27.092 -33.117 1.00 0.00 C ATOM 775 CG GLU A 54 -5.179 25.999 -32.819 1.00 0.00 C ATOM 776 CD GLU A 54 -3.806 26.550 -32.484 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.717 27.425 -31.598 1.00 0.00 O ATOM 778 OE2 GLU A 54 -2.820 26.105 -33.109 1.00 0.00 O ATOM 0 H GLU A 54 -7.656 25.758 -31.571 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.162 27.375 -33.924 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.810 27.717 -33.925 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.290 27.732 -32.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.537 25.395 -31.985 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.100 25.337 -33.681 1.00 0.00 H new ATOM 785 N ILE A 55 -7.295 24.229 -34.116 1.00 0.00 N ATOM 786 CA ILE A 55 -7.151 23.098 -35.024 1.00 0.00 C ATOM 787 C ILE A 55 -8.398 22.921 -35.884 1.00 0.00 C ATOM 788 O ILE A 55 -8.326 22.415 -37.003 1.00 0.00 O ATOM 789 CB ILE A 55 -6.879 21.791 -34.257 1.00 0.00 C ATOM 790 CG1 ILE A 55 -7.925 21.592 -33.158 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.478 21.804 -33.666 1.00 0.00 C ATOM 792 CD1 ILE A 55 -7.942 20.192 -32.586 1.00 0.00 C ATOM 0 H ILE A 55 -7.283 23.980 -33.127 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.298 23.316 -35.667 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.949 20.957 -34.955 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.734 22.302 -32.353 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.911 21.823 -33.560 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.302 20.873 -33.127 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.746 21.904 -34.467 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.381 22.645 -32.979 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.707 20.124 -31.813 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.163 19.478 -33.379 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.968 19.964 -32.153 1.00 0.00 H new ATOM 804 N GLY A 56 -9.541 23.344 -35.353 1.00 0.00 N ATOM 805 CA GLY A 56 -10.788 23.225 -36.086 1.00 0.00 C ATOM 806 C GLY A 56 -11.954 22.859 -35.189 1.00 0.00 C ATOM 807 O GLY A 56 -13.072 23.337 -35.387 1.00 0.00 O ATOM 0 H GLY A 56 -9.626 23.767 -34.429 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.002 24.168 -36.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.679 22.468 -36.862 1.00 0.00 H new ATOM 811 N ILE A 57 -11.696 22.007 -34.203 1.00 0.00 N ATOM 812 CA ILE A 57 -12.733 21.577 -33.274 1.00 0.00 C ATOM 813 C ILE A 57 -13.307 22.761 -32.504 1.00 0.00 C ATOM 814 O ILE A 57 -12.726 23.215 -31.517 1.00 0.00 O ATOM 815 CB ILE A 57 -12.196 20.539 -32.271 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.533 19.377 -33.013 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.320 20.033 -31.379 1.00 0.00 C ATOM 818 CD1 ILE A 57 -10.921 18.343 -32.094 1.00 0.00 C ATOM 0 H ILE A 57 -10.777 21.601 -34.027 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.521 21.119 -33.872 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.447 21.018 -31.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.274 18.893 -33.649 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.758 19.771 -33.670 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.924 19.300 -30.676 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.751 20.869 -30.828 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.090 19.567 -31.993 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.469 17.549 -32.689 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.156 18.813 -31.476 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.696 17.921 -31.454 1.00 0.00 H new ATOM 830 N LEU A 58 -14.452 23.257 -32.960 1.00 0.00 N ATOM 831 CA LEU A 58 -15.108 24.389 -32.313 1.00 0.00 C ATOM 832 C LEU A 58 -16.077 23.913 -31.235 1.00 0.00 C ATOM 833 O LEU A 58 -16.366 24.637 -30.284 1.00 0.00 O ATOM 834 CB LEU A 58 -15.853 25.233 -33.348 1.00 0.00 C ATOM 835 CG LEU A 58 -15.130 25.457 -34.677 1.00 0.00 C ATOM 836 CD1 LEU A 58 -15.924 26.404 -35.563 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.728 25.998 -34.437 1.00 0.00 C ATOM 0 H LEU A 58 -14.946 22.893 -33.775 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.339 25.001 -31.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.811 24.756 -33.554 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.069 26.206 -32.906 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.045 24.498 -35.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.394 26.552 -36.504 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.907 25.977 -35.763 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.041 27.363 -35.058 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.228 26.151 -35.394 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.790 26.947 -33.904 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.160 25.284 -33.841 1.00 0.00 H new ATOM 849 N ASN A 59 -16.573 22.690 -31.391 1.00 0.00 N ATOM 850 CA ASN A 59 -17.508 22.116 -30.430 1.00 0.00 C ATOM 851 C ASN A 59 -16.959 22.215 -29.010 1.00 0.00 C ATOM 852 O ASN A 59 -16.079 21.448 -28.620 1.00 0.00 O ATOM 853 CB ASN A 59 -17.796 20.654 -30.777 1.00 0.00 C ATOM 854 CG ASN A 59 -19.010 20.501 -31.672 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.995 19.864 -31.297 1.00 0.00 O ATOM 856 ND2 ASN A 59 -18.945 21.085 -32.863 1.00 0.00 N ATOM 0 H ASN A 59 -16.343 22.077 -32.173 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.437 22.684 -30.481 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.926 20.223 -31.272 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.952 20.089 -29.858 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.732 21.016 -33.509 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.109 21.603 -33.132 1.00 0.00 H new ATOM 863 N SER A 60 -17.484 23.165 -28.243 1.00 0.00 N ATOM 864 CA SER A 60 -17.044 23.367 -26.867 1.00 0.00 C ATOM 865 C SER A 60 -17.261 22.105 -26.037 1.00 0.00 C ATOM 866 O SER A 60 -16.349 21.628 -25.363 1.00 0.00 O ATOM 867 CB SER A 60 -17.794 24.541 -26.237 1.00 0.00 C ATOM 868 OG SER A 60 -17.009 25.171 -25.239 1.00 0.00 O ATOM 0 H SER A 60 -18.214 23.807 -28.551 1.00 0.00 H new ATOM 0 HA SER A 60 -15.978 23.593 -26.881 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.057 25.265 -27.008 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.728 24.188 -25.800 1.00 0.00 H new ATOM 0 HG SER A 60 -17.510 25.919 -24.853 1.00 0.00 H new ATOM 874 N GLY A 61 -18.476 21.569 -26.093 1.00 0.00 N ATOM 875 CA GLY A 61 -18.793 20.369 -25.342 1.00 0.00 C ATOM 876 C GLY A 61 -17.805 19.248 -25.597 1.00 0.00 C ATOM 877 O GLY A 61 -17.590 18.391 -24.739 1.00 0.00 O ATOM 0 H GLY A 61 -19.247 21.945 -26.645 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.806 20.603 -24.277 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.796 20.033 -25.606 1.00 0.00 H new ATOM 881 N HIS A 62 -17.201 19.251 -26.782 1.00 0.00 N ATOM 882 CA HIS A 62 -16.231 18.226 -27.149 1.00 0.00 C ATOM 883 C HIS A 62 -14.843 18.579 -26.622 1.00 0.00 C ATOM 884 O HIS A 62 -14.175 17.752 -26.002 1.00 0.00 O ATOM 885 CB HIS A 62 -16.185 18.057 -28.667 1.00 0.00 C ATOM 886 CG HIS A 62 -17.396 17.379 -29.231 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.595 17.198 -30.583 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.472 16.835 -28.617 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.743 16.573 -30.777 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.295 16.341 -29.599 1.00 0.00 N ATOM 0 H HIS A 62 -17.367 19.952 -27.504 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.544 17.285 -26.696 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.079 19.038 -29.131 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.299 17.481 -28.934 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.650 16.796 -27.553 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.159 16.299 -31.735 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.187 15.871 -29.444 1.00 0.00 H new ATOM 898 N ARG A 63 -14.415 19.812 -26.875 1.00 0.00 N ATOM 899 CA ARG A 63 -13.106 20.273 -26.429 1.00 0.00 C ATOM 900 C ARG A 63 -12.919 20.016 -24.936 1.00 0.00 C ATOM 901 O ARG A 63 -11.840 19.618 -24.497 1.00 0.00 O ATOM 902 CB ARG A 63 -12.939 21.765 -26.725 1.00 0.00 C ATOM 903 CG ARG A 63 -12.851 22.085 -28.208 1.00 0.00 C ATOM 904 CD ARG A 63 -12.094 23.380 -28.455 1.00 0.00 C ATOM 905 NE ARG A 63 -12.961 24.429 -28.984 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.757 25.176 -28.228 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.796 24.991 -26.916 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.517 26.111 -28.784 1.00 0.00 N ATOM 0 H ARG A 63 -14.956 20.509 -27.386 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.346 19.714 -26.975 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.780 22.309 -26.294 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.038 22.126 -26.230 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.354 21.267 -28.729 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.855 22.164 -28.624 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.642 23.719 -27.523 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.279 23.196 -29.155 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.955 24.597 -29.990 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.214 24.273 -26.485 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.408 25.566 -26.338 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.490 26.257 -29.793 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.128 26.684 -28.202 1.00 0.00 H new ATOM 922 N GLN A 64 -13.976 20.246 -24.164 1.00 0.00 N ATOM 923 CA GLN A 64 -13.926 20.041 -22.722 1.00 0.00 C ATOM 924 C GLN A 64 -13.681 18.573 -22.389 1.00 0.00 C ATOM 925 O GLN A 64 -12.885 18.251 -21.507 1.00 0.00 O ATOM 926 CB GLN A 64 -15.230 20.512 -22.073 1.00 0.00 C ATOM 927 CG GLN A 64 -15.395 22.023 -22.067 1.00 0.00 C ATOM 928 CD GLN A 64 -16.150 22.523 -20.851 1.00 0.00 C ATOM 929 OE1 GLN A 64 -16.991 21.816 -20.295 1.00 0.00 O ATOM 930 NE2 GLN A 64 -15.852 23.747 -20.431 1.00 0.00 N ATOM 0 H GLN A 64 -14.877 20.574 -24.513 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.098 20.628 -22.326 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.072 20.065 -22.602 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.268 20.147 -21.047 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.412 22.492 -22.098 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.923 22.331 -22.970 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.148 24.298 -20.923 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.327 24.137 -19.617 1.00 0.00 H new ATOM 939 N ARG A 65 -14.370 17.687 -23.100 1.00 0.00 N ATOM 940 CA ARG A 65 -14.228 16.253 -22.879 1.00 0.00 C ATOM 941 C ARG A 65 -12.825 15.782 -23.252 1.00 0.00 C ATOM 942 O ARG A 65 -12.264 14.896 -22.605 1.00 0.00 O ATOM 943 CB ARG A 65 -15.269 15.484 -23.694 1.00 0.00 C ATOM 944 CG ARG A 65 -16.541 15.175 -22.922 1.00 0.00 C ATOM 945 CD ARG A 65 -17.666 14.745 -23.850 1.00 0.00 C ATOM 946 NE ARG A 65 -18.577 13.803 -23.205 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.505 13.113 -23.859 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.643 13.259 -25.170 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.297 12.275 -23.202 1.00 0.00 N ATOM 0 H ARG A 65 -15.032 17.937 -23.834 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.389 16.056 -21.819 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.524 16.064 -24.581 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.828 14.549 -24.040 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.345 14.386 -22.196 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.849 16.056 -22.359 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.223 15.623 -24.175 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.243 14.286 -24.744 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.496 13.667 -22.197 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.036 13.902 -25.678 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.356 12.728 -25.670 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.194 12.160 -22.194 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.009 11.746 -23.705 1.00 0.00 H new ATOM 963 N ILE A 66 -12.265 16.379 -24.299 1.00 0.00 N ATOM 964 CA ILE A 66 -10.928 16.021 -24.757 1.00 0.00 C ATOM 965 C ILE A 66 -9.865 16.478 -23.763 1.00 0.00 C ATOM 966 O ILE A 66 -8.962 15.719 -23.410 1.00 0.00 O ATOM 967 CB ILE A 66 -10.622 16.633 -26.136 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.653 16.166 -27.166 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.216 16.262 -26.581 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.683 17.013 -28.419 1.00 0.00 C ATOM 0 H ILE A 66 -12.716 17.112 -24.846 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.903 14.934 -24.838 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.682 17.718 -26.056 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.438 15.133 -27.441 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.642 16.175 -26.708 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.015 16.702 -27.558 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.494 16.640 -25.857 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.130 15.177 -26.647 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.437 16.624 -29.103 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.928 18.042 -28.157 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.706 16.984 -28.901 1.00 0.00 H new ATOM 982 N LEU A 67 -9.980 17.723 -23.314 1.00 0.00 N ATOM 983 CA LEU A 67 -9.030 18.282 -22.358 1.00 0.00 C ATOM 984 C LEU A 67 -8.872 17.367 -21.149 1.00 0.00 C ATOM 985 O LEU A 67 -7.755 17.042 -20.747 1.00 0.00 O ATOM 986 CB LEU A 67 -9.489 19.670 -21.906 1.00 0.00 C ATOM 987 CG LEU A 67 -9.217 20.817 -22.880 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.218 21.943 -22.671 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.793 21.329 -22.715 1.00 0.00 C ATOM 0 H LEU A 67 -10.721 18.364 -23.596 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.063 18.369 -22.853 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.561 19.631 -21.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.002 19.901 -20.959 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.332 20.441 -23.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.009 22.750 -23.373 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.228 21.568 -22.839 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.136 22.318 -21.651 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.616 22.145 -23.416 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.652 21.689 -21.696 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.090 20.520 -22.915 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.997 16.953 -20.575 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.983 16.074 -19.412 1.00 0.00 C ATOM 1003 C GLN A 68 -9.117 14.845 -19.669 1.00 0.00 C ATOM 1004 O GLN A 68 -8.381 14.397 -18.791 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.406 15.644 -19.053 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.883 16.177 -17.712 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.592 17.511 -17.833 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -12.281 18.315 -18.712 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.552 17.755 -16.948 1.00 0.00 N ATOM 0 H GLN A 68 -10.930 17.212 -20.896 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.557 16.628 -18.575 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.087 15.985 -19.833 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.455 14.555 -19.040 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.557 15.452 -17.256 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.029 16.283 -17.043 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.778 17.061 -16.236 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.064 18.637 -16.981 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.211 14.304 -20.880 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.436 13.128 -21.254 1.00 0.00 C ATOM 1020 C ALA A 69 -6.952 13.462 -21.368 1.00 0.00 C ATOM 1021 O ALA A 69 -6.096 12.667 -20.980 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.951 12.550 -22.564 1.00 0.00 C ATOM 0 H ALA A 69 -9.817 14.662 -21.618 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.555 12.381 -20.469 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.362 11.672 -22.831 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.997 12.265 -22.450 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.863 13.299 -23.351 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.656 14.642 -21.903 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.276 15.080 -22.068 1.00 0.00 C ATOM 1030 C ILE A 70 -4.599 15.284 -20.717 1.00 0.00 C ATOM 1031 O ILE A 70 -3.386 15.120 -20.590 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.194 16.390 -22.874 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.833 16.207 -24.252 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.746 16.838 -23.011 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.083 17.510 -24.980 1.00 0.00 C ATOM 0 H ILE A 70 -7.353 15.311 -22.229 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.758 14.293 -22.616 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.744 17.164 -22.339 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.186 15.577 -24.863 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.778 15.677 -24.138 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.704 17.765 -23.583 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.321 17.003 -22.021 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.174 16.067 -23.527 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.537 17.304 -25.949 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.754 18.134 -24.390 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.138 18.032 -25.126 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.392 15.642 -19.712 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.868 15.867 -18.370 1.00 0.00 C ATOM 1049 C GLN A 71 -4.482 14.549 -17.708 1.00 0.00 C ATOM 1050 O GLN A 71 -3.532 14.489 -16.926 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.903 16.598 -17.512 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.633 18.087 -17.371 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.935 18.605 -15.979 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.097 18.754 -15.597 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -4.889 18.883 -15.210 1.00 0.00 N ATOM 0 H GLN A 71 -6.398 15.782 -19.802 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.974 16.485 -18.455 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.891 16.456 -17.950 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.926 16.146 -16.521 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.589 18.287 -17.611 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.237 18.632 -18.096 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.943 18.745 -15.566 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.031 19.235 -14.263 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.223 13.493 -18.025 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.958 12.174 -17.461 1.00 0.00 C ATOM 1066 C LEU A 72 -3.806 11.492 -18.190 1.00 0.00 C ATOM 1067 O LEU A 72 -3.120 10.637 -17.627 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.213 11.303 -17.539 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.455 11.851 -16.835 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.637 10.914 -17.032 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.180 12.060 -15.353 1.00 0.00 C ATOM 0 H LEU A 72 -6.013 13.524 -18.670 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.677 12.303 -16.416 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.456 11.144 -18.590 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.980 10.327 -17.114 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.704 12.816 -17.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.512 11.320 -16.524 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.849 10.815 -18.097 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.398 9.935 -16.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.075 12.450 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.905 11.109 -14.896 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.362 12.770 -15.231 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.595 11.876 -19.444 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.523 11.303 -20.251 1.00 0.00 C ATOM 1085 C LEU A 73 -1.189 11.377 -19.515 1.00 0.00 C ATOM 1086 O LEU A 73 -1.003 12.174 -18.595 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.421 12.032 -21.591 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.386 11.569 -22.683 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.295 12.480 -23.897 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -3.097 10.127 -23.074 1.00 0.00 C ATOM 0 H LEU A 73 -4.152 12.582 -19.925 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.759 10.254 -20.433 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.585 13.095 -21.417 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.403 11.923 -21.964 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.401 11.622 -22.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.989 12.135 -24.664 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.552 13.499 -23.607 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.279 12.460 -24.292 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.793 9.814 -23.852 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.076 10.049 -23.448 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.214 9.483 -22.202 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.237 10.528 -19.929 1.00 0.00 N ATOM 1103 CA PRO A 74 1.098 10.480 -19.325 1.00 0.00 C ATOM 1104 C PRO A 74 1.925 11.720 -19.647 1.00 0.00 C ATOM 1105 O PRO A 74 1.587 12.486 -20.549 1.00 0.00 O ATOM 1106 CB PRO A 74 1.729 9.237 -19.958 1.00 0.00 C ATOM 1107 CG PRO A 74 1.016 9.069 -21.255 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.389 9.551 -21.020 1.00 0.00 C ATOM 0 HA PRO A 74 1.052 10.444 -18.237 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.800 9.370 -20.109 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.604 8.361 -19.321 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.500 9.645 -22.044 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.023 8.026 -21.572 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.811 10.010 -21.914 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.052 8.733 -20.738 1.00 0.00 H new