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 165:sc= 1.35 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1.71! C(o=-0.36!,f=-7.8!) USER MOD Single : A 13 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.6) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 21 SER OG : rot 107:sc= 0.366 USER MOD Single : A 26 GLN : amide:sc= -0.405 X(o=-0.4,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.014) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 32 MET CE :methyl -168:sc= 0 (180deg=-0.0921) USER MOD Single : A 34 ASN : amide:sc= -2.76 X(o=-2.8,f=-3.2) USER MOD Single : A 38 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1.7!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 42 MET CE :methyl 180:sc= -0.412 (180deg=-0.412) USER MOD Single : A 47 MET CE :methyl -122:sc= -2.84 (180deg=-7.55!) USER MOD Single : A 50 GLN : amide:sc= -3.01! C(o=-3!,f=-4.7!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 60 SER OG : rot 180:sc= 0.128 USER MOD Single : A 64 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.241 3.908 -25.715 1.00 0.00 N ATOM 146 CA GLN A 13 -1.502 4.135 -26.411 1.00 0.00 C ATOM 147 C GLN A 13 -1.301 5.040 -27.621 1.00 0.00 C ATOM 148 O GLN A 13 -0.316 5.776 -27.704 1.00 0.00 O ATOM 149 CB GLN A 13 -2.529 4.755 -25.461 1.00 0.00 C ATOM 150 CG GLN A 13 -3.881 4.061 -25.490 1.00 0.00 C ATOM 151 CD GLN A 13 -4.771 4.468 -24.333 1.00 0.00 C ATOM 152 OE1 GLN A 13 -4.317 4.576 -23.193 1.00 0.00 O ATOM 153 NE2 GLN A 13 -6.047 4.698 -24.619 1.00 0.00 N ATOM 0 HA GLN A 13 -1.874 3.171 -26.759 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.136 4.725 -24.445 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.663 5.805 -25.720 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.384 4.293 -26.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.732 2.982 -25.466 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.381 4.597 -25.577 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.693 4.976 -23.880 1.00 0.00 H new ATOM 162 N THR A 14 -2.239 4.981 -28.561 1.00 0.00 N ATOM 163 CA THR A 14 -2.164 5.794 -29.768 1.00 0.00 C ATOM 164 C THR A 14 -3.330 6.773 -29.845 1.00 0.00 C ATOM 165 O THR A 14 -4.369 6.568 -29.218 1.00 0.00 O ATOM 166 CB THR A 14 -2.159 4.919 -31.036 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.458 4.356 -31.247 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.130 3.805 -30.920 1.00 0.00 C ATOM 0 H THR A 14 -3.060 4.378 -28.509 1.00 0.00 H new ATOM 0 HA THR A 14 -1.228 6.351 -29.716 1.00 0.00 H new ATOM 0 HB THR A 14 -1.894 5.549 -31.885 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.447 3.803 -32.056 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.145 3.200 -31.827 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.138 4.238 -30.788 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.369 3.177 -30.061 1.00 0.00 H new ATOM 176 N VAL A 15 -3.152 7.839 -30.620 1.00 0.00 N ATOM 177 CA VAL A 15 -4.191 8.850 -30.780 1.00 0.00 C ATOM 178 C VAL A 15 -5.519 8.214 -31.174 1.00 0.00 C ATOM 179 O VAL A 15 -6.568 8.557 -30.631 1.00 0.00 O ATOM 180 CB VAL A 15 -3.798 9.894 -31.843 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.907 10.920 -32.017 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.489 10.570 -31.467 1.00 0.00 C ATOM 0 H VAL A 15 -2.298 8.025 -31.147 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.301 9.347 -29.816 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.655 9.383 -32.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.613 11.650 -32.771 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.821 10.418 -32.335 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.084 11.429 -31.069 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.227 11.304 -32.229 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.601 11.070 -30.505 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.700 9.821 -31.398 1.00 0.00 H new ATOM 192 N GLY A 16 -5.466 7.284 -32.124 1.00 0.00 N ATOM 193 CA GLY A 16 -6.672 6.615 -32.574 1.00 0.00 C ATOM 194 C GLY A 16 -7.439 5.973 -31.435 1.00 0.00 C ATOM 195 O GLY A 16 -8.534 6.416 -31.090 1.00 0.00 O ATOM 0 H GLY A 16 -4.610 6.983 -32.589 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.315 7.334 -33.081 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.409 5.852 -33.306 1.00 0.00 H new ATOM 199 N GLN A 17 -6.864 4.926 -30.853 1.00 0.00 N ATOM 200 CA GLN A 17 -7.503 4.221 -29.748 1.00 0.00 C ATOM 201 C GLN A 17 -7.823 5.178 -28.604 1.00 0.00 C ATOM 202 O GLN A 17 -8.816 5.006 -27.897 1.00 0.00 O ATOM 203 CB GLN A 17 -6.601 3.092 -29.246 1.00 0.00 C ATOM 204 CG GLN A 17 -6.361 2.001 -30.278 1.00 0.00 C ATOM 205 CD GLN A 17 -5.541 0.850 -29.731 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.792 0.363 -28.628 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.554 0.408 -30.501 1.00 0.00 N ATOM 0 H GLN A 17 -5.958 4.547 -31.128 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.437 3.795 -30.114 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.642 3.512 -28.943 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.049 2.648 -28.357 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.320 1.623 -30.631 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.850 2.428 -31.141 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.382 0.841 -31.408 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.968 -0.365 -30.185 1.00 0.00 H new ATOM 216 N TRP A 18 -6.975 6.185 -28.427 1.00 0.00 N ATOM 217 CA TRP A 18 -7.168 7.169 -27.368 1.00 0.00 C ATOM 218 C TRP A 18 -8.485 7.914 -27.551 1.00 0.00 C ATOM 219 O TRP A 18 -9.191 8.195 -26.581 1.00 0.00 O ATOM 220 CB TRP A 18 -6.004 8.162 -27.349 1.00 0.00 C ATOM 221 CG TRP A 18 -6.194 9.280 -26.368 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.278 9.173 -25.010 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.325 10.673 -26.672 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.454 10.416 -24.450 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.484 11.353 -25.449 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.320 11.413 -27.858 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.639 12.735 -25.380 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.474 12.784 -27.788 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.631 13.434 -26.556 1.00 0.00 C ATOM 0 H TRP A 18 -6.148 6.341 -29.003 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.201 6.640 -26.416 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.084 7.629 -27.108 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.877 8.581 -28.347 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.215 8.248 -24.457 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.547 10.609 -23.453 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.198 10.922 -28.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.761 13.237 -24.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.473 13.365 -28.698 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.748 14.507 -26.535 1.00 0.00 H new ATOM 240 N LEU A 19 -8.812 8.233 -28.799 1.00 0.00 N ATOM 241 CA LEU A 19 -10.046 8.946 -29.108 1.00 0.00 C ATOM 242 C LEU A 19 -11.262 8.051 -28.889 1.00 0.00 C ATOM 243 O LEU A 19 -12.255 8.471 -28.296 1.00 0.00 O ATOM 244 CB LEU A 19 -10.021 9.446 -30.554 1.00 0.00 C ATOM 245 CG LEU A 19 -9.145 10.669 -30.825 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.589 10.624 -32.240 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.935 11.951 -30.601 1.00 0.00 C ATOM 0 H LEU A 19 -8.239 8.009 -29.613 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.121 9.800 -28.435 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.681 8.631 -31.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.042 9.682 -30.854 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.308 10.655 -30.127 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.968 11.502 -32.415 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.988 9.724 -32.366 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.412 10.614 -32.954 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.296 12.812 -30.798 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.792 11.973 -31.275 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.284 11.988 -29.569 1.00 0.00 H new ATOM 259 N GLU A 20 -11.175 6.814 -29.370 1.00 0.00 N ATOM 260 CA GLU A 20 -12.268 5.860 -29.225 1.00 0.00 C ATOM 261 C GLU A 20 -12.676 5.719 -27.761 1.00 0.00 C ATOM 262 O GLU A 20 -13.825 5.401 -27.454 1.00 0.00 O ATOM 263 CB GLU A 20 -11.861 4.496 -29.785 1.00 0.00 C ATOM 264 CG GLU A 20 -11.344 4.554 -31.213 1.00 0.00 C ATOM 265 CD GLU A 20 -12.165 3.705 -32.165 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.981 2.470 -32.166 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.989 4.276 -32.909 1.00 0.00 O ATOM 0 H GLU A 20 -10.360 6.450 -29.863 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.122 6.236 -29.788 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.090 4.065 -29.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.719 3.825 -29.745 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.351 5.588 -31.556 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.307 4.218 -31.234 1.00 0.00 H new ATOM 274 N SER A 21 -11.727 5.959 -26.862 1.00 0.00 N ATOM 275 CA SER A 21 -11.986 5.855 -25.431 1.00 0.00 C ATOM 276 C SER A 21 -12.973 6.927 -24.978 1.00 0.00 C ATOM 277 O SER A 21 -14.072 6.619 -24.517 1.00 0.00 O ATOM 278 CB SER A 21 -10.680 5.983 -24.644 1.00 0.00 C ATOM 279 OG SER A 21 -9.556 5.855 -25.498 1.00 0.00 O ATOM 0 H SER A 21 -10.772 6.227 -27.099 1.00 0.00 H new ATOM 0 HA SER A 21 -12.425 4.876 -25.237 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.649 6.948 -24.139 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.642 5.217 -23.870 1.00 0.00 H new ATOM 0 HG SER A 21 -9.134 6.731 -25.616 1.00 0.00 H new ATOM 285 N ILE A 22 -12.572 8.186 -25.114 1.00 0.00 N ATOM 286 CA ILE A 22 -13.420 9.304 -24.720 1.00 0.00 C ATOM 287 C ILE A 22 -14.762 9.258 -25.443 1.00 0.00 C ATOM 288 O ILE A 22 -15.791 9.642 -24.890 1.00 0.00 O ATOM 289 CB ILE A 22 -12.741 10.656 -25.008 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.284 10.720 -26.467 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.563 10.868 -24.069 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.623 12.030 -26.836 1.00 0.00 C ATOM 0 H ILE A 22 -11.665 8.458 -25.494 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.585 9.211 -23.647 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.464 11.453 -24.837 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.587 9.904 -26.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.145 10.561 -27.116 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.094 11.828 -24.285 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.914 10.860 -23.037 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.836 10.068 -24.211 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.325 12.005 -27.884 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.325 12.849 -26.678 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.742 12.182 -26.212 1.00 0.00 H new ATOM 304 N GLY A 23 -14.742 8.782 -26.685 1.00 0.00 N ATOM 305 CA GLY A 23 -15.963 8.692 -27.464 1.00 0.00 C ATOM 306 C GLY A 23 -16.076 9.798 -28.495 1.00 0.00 C ATOM 307 O GLY A 23 -17.135 10.408 -28.648 1.00 0.00 O ATOM 0 H GLY A 23 -13.902 8.457 -27.165 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.999 7.726 -27.967 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.822 8.735 -26.794 1.00 0.00 H new ATOM 311 N LEU A 24 -14.983 10.059 -29.202 1.00 0.00 N ATOM 312 CA LEU A 24 -14.963 11.101 -30.223 1.00 0.00 C ATOM 313 C LEU A 24 -13.987 10.749 -31.342 1.00 0.00 C ATOM 314 O LEU A 24 -12.951 11.390 -31.520 1.00 0.00 O ATOM 315 CB LEU A 24 -14.580 12.445 -29.601 1.00 0.00 C ATOM 316 CG LEU A 24 -15.735 13.287 -29.058 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.205 14.475 -28.270 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.633 13.756 -30.193 1.00 0.00 C ATOM 0 H LEU A 24 -14.099 9.564 -29.088 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.963 11.177 -30.649 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.878 12.259 -28.788 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.050 13.032 -30.351 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.327 12.666 -28.386 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.041 15.063 -27.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.604 14.118 -27.434 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.589 15.097 -28.920 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.449 14.354 -29.788 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.053 14.360 -30.890 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.041 12.891 -30.715 1.00 0.00 H new ATOM 330 N PRO A 25 -14.325 9.707 -32.116 1.00 0.00 N ATOM 331 CA PRO A 25 -13.494 9.248 -33.232 1.00 0.00 C ATOM 332 C PRO A 25 -13.487 10.235 -34.394 1.00 0.00 C ATOM 333 O PRO A 25 -12.577 10.226 -35.222 1.00 0.00 O ATOM 334 CB PRO A 25 -14.156 7.933 -33.651 1.00 0.00 C ATOM 335 CG PRO A 25 -15.575 8.068 -33.215 1.00 0.00 C ATOM 336 CD PRO A 25 -15.545 8.897 -31.961 1.00 0.00 C ATOM 0 HA PRO A 25 -12.448 9.141 -32.944 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.085 7.780 -34.728 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.675 7.078 -33.175 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.176 8.549 -33.987 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.020 7.091 -33.027 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.433 9.522 -31.871 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.502 8.273 -31.068 1.00 0.00 H new ATOM 344 N GLN A 26 -14.508 11.085 -34.449 1.00 0.00 N ATOM 345 CA GLN A 26 -14.619 12.078 -35.511 1.00 0.00 C ATOM 346 C GLN A 26 -13.397 12.990 -35.533 1.00 0.00 C ATOM 347 O GLN A 26 -13.081 13.597 -36.557 1.00 0.00 O ATOM 348 CB GLN A 26 -15.888 12.911 -35.328 1.00 0.00 C ATOM 349 CG GLN A 26 -15.817 13.880 -34.158 1.00 0.00 C ATOM 350 CD GLN A 26 -17.056 14.745 -34.041 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.241 15.692 -34.806 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.914 14.424 -33.080 1.00 0.00 N ATOM 0 H GLN A 26 -15.270 11.106 -33.771 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.673 11.550 -36.463 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.079 13.472 -36.243 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.735 12.240 -35.183 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.682 13.318 -33.234 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.942 14.519 -34.273 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.721 13.631 -32.468 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.766 14.970 -32.954 1.00 0.00 H new ATOM 361 N TYR A 27 -12.712 13.081 -34.398 1.00 0.00 N ATOM 362 CA TYR A 27 -11.526 13.921 -34.287 1.00 0.00 C ATOM 363 C TYR A 27 -10.257 13.104 -34.512 1.00 0.00 C ATOM 364 O TYR A 27 -9.213 13.386 -33.924 1.00 0.00 O ATOM 365 CB TYR A 27 -11.477 14.592 -32.913 1.00 0.00 C ATOM 366 CG TYR A 27 -12.668 15.480 -32.631 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.167 16.337 -33.604 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.295 15.461 -31.391 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.254 17.150 -33.350 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.383 16.270 -31.128 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.859 17.113 -32.111 1.00 0.00 C ATOM 372 OH TYR A 27 -15.943 17.921 -31.854 1.00 0.00 O ATOM 0 H TYR A 27 -12.958 12.583 -33.542 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.583 14.690 -35.057 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.418 13.822 -32.144 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.566 15.186 -32.840 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.697 16.368 -34.576 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.925 14.802 -30.619 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.628 17.811 -34.117 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.858 16.243 -30.159 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.396 17.612 -31.042 1.00 0.00 H new ATOM 382 N GLU A 28 -10.356 12.091 -35.367 1.00 0.00 N ATOM 383 CA GLU A 28 -9.217 11.233 -35.669 1.00 0.00 C ATOM 384 C GLU A 28 -8.379 11.820 -36.801 1.00 0.00 C ATOM 385 O GLU A 28 -7.160 11.658 -36.833 1.00 0.00 O ATOM 386 CB GLU A 28 -9.694 9.830 -36.049 1.00 0.00 C ATOM 387 CG GLU A 28 -8.583 8.926 -36.557 1.00 0.00 C ATOM 388 CD GLU A 28 -8.765 8.539 -38.011 1.00 0.00 C ATOM 389 OE1 GLU A 28 -8.388 9.343 -38.890 1.00 0.00 O ATOM 390 OE2 GLU A 28 -9.282 7.433 -38.272 1.00 0.00 O ATOM 0 H GLU A 28 -11.213 11.845 -35.862 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.596 11.169 -34.775 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.160 9.366 -35.180 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.463 9.912 -36.817 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.625 9.431 -36.437 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.546 8.024 -35.947 1.00 0.00 H new ATOM 397 N ASN A 29 -9.042 12.503 -37.728 1.00 0.00 N ATOM 398 CA ASN A 29 -8.359 13.115 -38.862 1.00 0.00 C ATOM 399 C ASN A 29 -7.798 14.483 -38.487 1.00 0.00 C ATOM 400 O ASN A 29 -6.804 14.936 -39.055 1.00 0.00 O ATOM 401 CB ASN A 29 -9.317 13.251 -40.048 1.00 0.00 C ATOM 402 CG ASN A 29 -8.770 14.162 -41.130 1.00 0.00 C ATOM 403 OD1 ASN A 29 -7.706 13.906 -41.694 1.00 0.00 O ATOM 404 ND2 ASN A 29 -9.499 15.233 -41.426 1.00 0.00 N ATOM 0 H ASN A 29 -10.052 12.647 -37.716 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.529 12.468 -39.146 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.511 12.265 -40.470 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.273 13.641 -39.697 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.183 15.882 -42.146 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.375 15.406 -40.933 1.00 0.00 H new ATOM 411 N HIS A 30 -8.442 15.137 -37.525 1.00 0.00 N ATOM 412 CA HIS A 30 -8.007 16.453 -37.072 1.00 0.00 C ATOM 413 C HIS A 30 -6.689 16.357 -36.310 1.00 0.00 C ATOM 414 O HIS A 30 -5.686 16.953 -36.706 1.00 0.00 O ATOM 415 CB HIS A 30 -9.078 17.090 -36.185 1.00 0.00 C ATOM 416 CG HIS A 30 -10.252 17.618 -36.949 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.173 16.803 -37.572 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.655 18.888 -37.188 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.090 17.548 -38.163 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.799 18.818 -37.944 1.00 0.00 N ATOM 0 H HIS A 30 -9.267 14.777 -37.045 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.853 17.080 -37.950 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.427 16.351 -35.464 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.629 17.904 -35.616 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.167 19.789 -36.847 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.934 17.181 -38.729 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.337 19.616 -38.282 1.00 0.00 H new ATOM 428 N LEU A 31 -6.698 15.606 -35.215 1.00 0.00 N ATOM 429 CA LEU A 31 -5.503 15.432 -34.396 1.00 0.00 C ATOM 430 C LEU A 31 -4.333 14.936 -35.240 1.00 0.00 C ATOM 431 O LEU A 31 -3.172 15.183 -34.914 1.00 0.00 O ATOM 432 CB LEU A 31 -5.779 14.448 -33.258 1.00 0.00 C ATOM 433 CG LEU A 31 -6.738 14.933 -32.170 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.466 13.757 -31.538 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.986 15.729 -31.112 1.00 0.00 C ATOM 0 H LEU A 31 -7.520 15.107 -34.873 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.238 16.401 -33.973 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.182 13.531 -33.687 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.829 14.190 -32.789 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.478 15.587 -32.630 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.144 14.121 -30.766 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.036 13.229 -32.302 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.740 13.077 -31.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.684 16.066 -30.346 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.223 15.098 -30.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.511 16.594 -31.576 1.00 0.00 H new ATOM 447 N MET A 32 -4.647 14.237 -36.325 1.00 0.00 N ATOM 448 CA MET A 32 -3.621 13.710 -37.218 1.00 0.00 C ATOM 449 C MET A 32 -3.257 14.730 -38.291 1.00 0.00 C ATOM 450 O MET A 32 -2.157 14.700 -38.842 1.00 0.00 O ATOM 451 CB MET A 32 -4.101 12.413 -37.872 1.00 0.00 C ATOM 452 CG MET A 32 -4.167 11.236 -36.912 1.00 0.00 C ATOM 453 SD MET A 32 -2.781 10.100 -37.109 1.00 0.00 S ATOM 454 CE MET A 32 -2.491 9.622 -35.407 1.00 0.00 C ATOM 0 H MET A 32 -5.603 14.022 -36.608 1.00 0.00 H new ATOM 0 HA MET A 32 -2.731 13.501 -36.624 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.089 12.577 -38.302 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.433 12.162 -38.696 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.184 11.608 -35.888 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.100 10.695 -37.070 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.540 9.094 -35.334 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.461 10.512 -34.779 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.295 8.968 -35.071 1.00 0.00 H new ATOM 464 N ALA A 33 -4.188 15.632 -38.584 1.00 0.00 N ATOM 465 CA ALA A 33 -3.964 16.662 -39.591 1.00 0.00 C ATOM 466 C ALA A 33 -3.168 17.828 -39.015 1.00 0.00 C ATOM 467 O ALA A 33 -2.309 18.398 -39.687 1.00 0.00 O ATOM 468 CB ALA A 33 -5.292 17.152 -40.149 1.00 0.00 C ATOM 0 H ALA A 33 -5.105 15.670 -38.138 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.382 16.223 -40.401 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.110 17.921 -40.900 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.825 16.318 -40.606 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.894 17.569 -39.342 1.00 0.00 H new ATOM 474 N ASN A 34 -3.460 18.179 -37.767 1.00 0.00 N ATOM 475 CA ASN A 34 -2.772 19.279 -37.101 1.00 0.00 C ATOM 476 C ASN A 34 -1.317 18.917 -36.815 1.00 0.00 C ATOM 477 O ASN A 34 -0.432 19.770 -36.870 1.00 0.00 O ATOM 478 CB ASN A 34 -3.485 19.640 -35.796 1.00 0.00 C ATOM 479 CG ASN A 34 -4.993 19.531 -35.913 1.00 0.00 C ATOM 480 OD1 ASN A 34 -5.658 18.994 -35.027 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.540 20.042 -37.010 1.00 0.00 N ATOM 0 H ASN A 34 -4.168 17.718 -37.196 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.790 20.142 -37.767 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.136 18.982 -35.000 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.218 20.657 -35.508 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.550 19.998 -37.144 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.950 20.478 -37.719 1.00 0.00 H new ATOM 488 N GLY A 35 -1.078 17.645 -36.511 1.00 0.00 N ATOM 489 CA GLY A 35 0.270 17.192 -36.221 1.00 0.00 C ATOM 490 C GLY A 35 0.402 16.621 -34.823 1.00 0.00 C ATOM 491 O GLY A 35 1.505 16.527 -34.285 1.00 0.00 O ATOM 0 H GLY A 35 -1.794 16.920 -36.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.559 16.434 -36.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.963 18.026 -36.337 1.00 0.00 H new ATOM 495 N PHE A 36 -0.726 16.241 -34.232 1.00 0.00 N ATOM 496 CA PHE A 36 -0.731 15.678 -32.887 1.00 0.00 C ATOM 497 C PHE A 36 -0.646 14.156 -32.933 1.00 0.00 C ATOM 498 O PHE A 36 -1.528 13.458 -32.431 1.00 0.00 O ATOM 499 CB PHE A 36 -1.995 16.107 -32.138 1.00 0.00 C ATOM 500 CG PHE A 36 -2.024 17.571 -31.801 1.00 0.00 C ATOM 501 CD1 PHE A 36 -1.216 18.081 -30.799 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.861 18.436 -32.488 1.00 0.00 C ATOM 503 CE1 PHE A 36 -1.241 19.428 -30.487 1.00 0.00 C ATOM 504 CE2 PHE A 36 -2.890 19.783 -32.181 1.00 0.00 C ATOM 505 CZ PHE A 36 -2.080 20.280 -31.179 1.00 0.00 C ATOM 0 H PHE A 36 -1.648 16.313 -34.663 1.00 0.00 H new ATOM 0 HA PHE A 36 0.144 16.056 -32.358 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.867 15.865 -32.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.076 15.529 -31.218 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.559 17.419 -30.255 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.498 18.053 -33.272 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.606 19.813 -29.703 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.546 20.447 -32.725 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.102 21.332 -30.937 1.00 0.00 H new ATOM 515 N ASP A 37 0.420 13.647 -33.541 1.00 0.00 N ATOM 516 CA ASP A 37 0.622 12.207 -33.653 1.00 0.00 C ATOM 517 C ASP A 37 1.524 11.696 -32.535 1.00 0.00 C ATOM 518 O ASP A 37 2.199 10.678 -32.685 1.00 0.00 O ATOM 519 CB ASP A 37 1.228 11.860 -35.014 1.00 0.00 C ATOM 520 CG ASP A 37 2.585 12.503 -35.224 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.592 11.925 -34.766 1.00 0.00 O ATOM 522 OD2 ASP A 37 2.639 13.585 -35.846 1.00 0.00 O ATOM 0 H ASP A 37 1.158 14.210 -33.964 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.349 11.721 -33.562 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.325 10.778 -35.100 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.550 12.183 -35.804 1.00 0.00 H new ATOM 527 N ASN A 38 1.531 12.409 -31.414 1.00 0.00 N ATOM 528 CA ASN A 38 2.353 12.029 -30.271 1.00 0.00 C ATOM 529 C ASN A 38 1.516 11.966 -28.996 1.00 0.00 C ATOM 530 O ASN A 38 1.257 12.988 -28.360 1.00 0.00 O ATOM 531 CB ASN A 38 3.504 13.020 -30.090 1.00 0.00 C ATOM 532 CG ASN A 38 4.657 12.746 -31.036 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.721 11.690 -31.665 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.575 13.699 -31.141 1.00 0.00 N ATOM 0 H ASN A 38 0.977 13.253 -31.272 1.00 0.00 H new ATOM 0 HA ASN A 38 2.764 11.038 -30.465 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.137 14.033 -30.253 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.862 12.973 -29.062 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.374 13.571 -31.762 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.482 14.559 -30.600 1.00 0.00 H new ATOM 541 N VAL A 39 1.096 10.760 -28.629 1.00 0.00 N ATOM 542 CA VAL A 39 0.290 10.563 -27.430 1.00 0.00 C ATOM 543 C VAL A 39 1.085 10.894 -26.173 1.00 0.00 C ATOM 544 O VAL A 39 0.514 11.242 -25.139 1.00 0.00 O ATOM 545 CB VAL A 39 -0.226 9.115 -27.332 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.216 8.977 -26.185 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.857 8.684 -28.647 1.00 0.00 C ATOM 0 H VAL A 39 1.300 9.904 -29.145 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.561 11.240 -27.506 1.00 0.00 H new ATOM 0 HB VAL A 39 0.621 8.459 -27.130 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.570 7.947 -26.131 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.726 9.242 -25.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.062 9.643 -26.353 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.216 7.659 -28.559 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.693 9.342 -28.882 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.115 8.742 -29.443 1.00 0.00 H new ATOM 557 N GLN A 40 2.406 10.784 -26.269 1.00 0.00 N ATOM 558 CA GLN A 40 3.281 11.071 -25.138 1.00 0.00 C ATOM 559 C GLN A 40 3.420 12.575 -24.926 1.00 0.00 C ATOM 560 O GLN A 40 3.635 13.038 -23.805 1.00 0.00 O ATOM 561 CB GLN A 40 4.659 10.446 -25.359 1.00 0.00 C ATOM 562 CG GLN A 40 5.400 11.015 -26.558 1.00 0.00 C ATOM 563 CD GLN A 40 6.027 9.938 -27.421 1.00 0.00 C ATOM 564 OE1 GLN A 40 5.344 9.032 -27.899 1.00 0.00 O ATOM 565 NE2 GLN A 40 7.336 10.031 -27.626 1.00 0.00 N ATOM 0 H GLN A 40 2.894 10.498 -27.118 1.00 0.00 H new ATOM 0 HA GLN A 40 2.832 10.636 -24.245 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.264 10.595 -24.465 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.544 9.370 -25.491 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.709 11.603 -27.162 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.178 11.695 -26.211 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.864 10.799 -27.211 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.813 9.335 -28.199 1.00 0.00 H new ATOM 574 N PHE A 41 3.297 13.334 -26.010 1.00 0.00 N ATOM 575 CA PHE A 41 3.411 14.787 -25.943 1.00 0.00 C ATOM 576 C PHE A 41 2.170 15.400 -25.300 1.00 0.00 C ATOM 577 O PHE A 41 2.273 16.238 -24.405 1.00 0.00 O ATOM 578 CB PHE A 41 3.614 15.368 -27.344 1.00 0.00 C ATOM 579 CG PHE A 41 5.045 15.704 -27.652 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.937 14.713 -28.029 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.498 17.010 -27.565 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.255 15.019 -28.312 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.815 17.323 -27.847 1.00 0.00 C ATOM 584 CZ PHE A 41 7.694 16.326 -28.222 1.00 0.00 C ATOM 0 H PHE A 41 3.118 12.968 -26.945 1.00 0.00 H new ATOM 0 HA PHE A 41 4.276 15.032 -25.327 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.250 14.653 -28.082 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.008 16.268 -27.447 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.599 13.690 -28.103 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.814 17.793 -27.273 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.941 14.237 -28.603 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.156 18.345 -27.774 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.723 16.568 -28.445 1.00 0.00 H new ATOM 594 N MET A 42 0.999 14.977 -25.765 1.00 0.00 N ATOM 595 CA MET A 42 -0.261 15.484 -25.235 1.00 0.00 C ATOM 596 C MET A 42 -0.375 15.202 -23.740 1.00 0.00 C ATOM 597 O MET A 42 -0.753 14.104 -23.333 1.00 0.00 O ATOM 598 CB MET A 42 -1.441 14.853 -25.977 1.00 0.00 C ATOM 599 CG MET A 42 -1.455 15.155 -27.466 1.00 0.00 C ATOM 600 SD MET A 42 -3.065 14.857 -28.221 1.00 0.00 S ATOM 601 CE MET A 42 -2.728 13.373 -29.164 1.00 0.00 C ATOM 0 H MET A 42 0.897 14.285 -26.507 1.00 0.00 H new ATOM 0 HA MET A 42 -0.282 16.563 -25.385 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.413 13.773 -25.834 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.371 15.210 -25.534 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.171 16.195 -27.624 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.705 14.541 -27.964 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.631 13.063 -29.689 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.938 13.573 -29.888 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.409 12.578 -28.490 1.00 0.00 H new ATOM 643 N VAL A 46 0.076 22.002 -24.029 1.00 0.00 N ATOM 644 CA VAL A 46 -0.188 21.668 -25.423 1.00 0.00 C ATOM 645 C VAL A 46 -1.569 21.044 -25.587 1.00 0.00 C ATOM 646 O VAL A 46 -2.083 20.400 -24.673 1.00 0.00 O ATOM 647 CB VAL A 46 0.871 20.696 -25.977 1.00 0.00 C ATOM 648 CG1 VAL A 46 0.761 19.341 -25.294 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.728 20.555 -27.485 1.00 0.00 C ATOM 0 HA VAL A 46 -0.145 22.601 -25.985 1.00 0.00 H new ATOM 0 HB VAL A 46 1.859 21.104 -25.765 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.517 18.667 -25.698 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.917 19.460 -24.222 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.230 18.923 -25.472 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.484 19.865 -27.859 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.264 20.170 -27.722 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.861 21.529 -27.956 1.00 0.00 H new ATOM 659 N MET A 47 -2.166 21.241 -26.758 1.00 0.00 N ATOM 660 CA MET A 47 -3.489 20.696 -27.042 1.00 0.00 C ATOM 661 C MET A 47 -4.535 21.292 -26.106 1.00 0.00 C ATOM 662 O MET A 47 -5.543 20.655 -25.802 1.00 0.00 O ATOM 663 CB MET A 47 -3.475 19.172 -26.908 1.00 0.00 C ATOM 664 CG MET A 47 -4.617 18.488 -27.642 1.00 0.00 C ATOM 665 SD MET A 47 -4.369 18.446 -29.428 1.00 0.00 S ATOM 666 CE MET A 47 -5.521 19.710 -29.960 1.00 0.00 C ATOM 0 H MET A 47 -1.755 21.773 -27.525 1.00 0.00 H new ATOM 0 HA MET A 47 -3.752 20.961 -28.066 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.528 18.790 -27.290 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.523 18.908 -25.852 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.724 17.469 -27.270 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.549 19.008 -27.421 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.238 19.278 -30.659 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.052 20.106 -29.094 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.976 20.516 -30.451 1.00 0.00 H new ATOM 676 N GLU A 48 -4.288 22.516 -25.651 1.00 0.00 N ATOM 677 CA GLU A 48 -5.209 23.196 -24.748 1.00 0.00 C ATOM 678 C GLU A 48 -6.526 23.513 -25.451 1.00 0.00 C ATOM 679 O GLU A 48 -6.731 23.139 -26.606 1.00 0.00 O ATOM 680 CB GLU A 48 -4.579 24.485 -24.216 1.00 0.00 C ATOM 681 CG GLU A 48 -3.143 24.313 -23.749 1.00 0.00 C ATOM 682 CD GLU A 48 -2.736 25.349 -22.720 1.00 0.00 C ATOM 683 OE1 GLU A 48 -3.456 25.496 -21.710 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.699 26.013 -22.924 1.00 0.00 O ATOM 0 H GLU A 48 -3.458 23.057 -25.893 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.415 22.529 -23.911 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.609 25.244 -24.998 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.180 24.858 -23.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.020 23.317 -23.324 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.475 24.378 -24.608 1.00 0.00 H new ATOM 691 N ASP A 49 -7.414 24.205 -24.747 1.00 0.00 N ATOM 692 CA ASP A 49 -8.711 24.573 -25.302 1.00 0.00 C ATOM 693 C ASP A 49 -8.546 25.297 -26.635 1.00 0.00 C ATOM 694 O ASP A 49 -9.008 24.821 -27.671 1.00 0.00 O ATOM 695 CB ASP A 49 -9.478 25.459 -24.319 1.00 0.00 C ATOM 696 CG ASP A 49 -10.980 25.354 -24.495 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.455 24.277 -24.915 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.681 26.348 -24.214 1.00 0.00 O ATOM 0 H ASP A 49 -7.259 24.523 -23.790 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.278 23.658 -25.473 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.214 25.178 -23.299 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.171 26.496 -24.454 1.00 0.00 H new ATOM 703 N GLN A 50 -7.885 26.449 -26.599 1.00 0.00 N ATOM 704 CA GLN A 50 -7.660 27.239 -27.804 1.00 0.00 C ATOM 705 C GLN A 50 -7.026 26.390 -28.901 1.00 0.00 C ATOM 706 O GLN A 50 -7.416 26.472 -30.066 1.00 0.00 O ATOM 707 CB GLN A 50 -6.767 28.441 -27.492 1.00 0.00 C ATOM 708 CG GLN A 50 -7.097 29.674 -28.318 1.00 0.00 C ATOM 709 CD GLN A 50 -8.548 30.093 -28.187 1.00 0.00 C ATOM 710 OE1 GLN A 50 -9.209 30.401 -29.179 1.00 0.00 O ATOM 711 NE2 GLN A 50 -9.052 30.107 -26.959 1.00 0.00 N ATOM 0 H GLN A 50 -7.496 26.856 -25.749 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.626 27.596 -28.160 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.859 28.687 -26.434 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.727 28.165 -27.665 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.455 30.498 -28.006 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.873 29.475 -29.366 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.468 29.844 -26.165 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.023 30.381 -26.809 1.00 0.00 H new ATOM 720 N ASP A 51 -6.048 25.576 -28.520 1.00 0.00 N ATOM 721 CA ASP A 51 -5.360 24.711 -29.472 1.00 0.00 C ATOM 722 C ASP A 51 -6.353 23.826 -30.219 1.00 0.00 C ATOM 723 O ASP A 51 -6.093 23.395 -31.343 1.00 0.00 O ATOM 724 CB ASP A 51 -4.327 23.843 -28.750 1.00 0.00 C ATOM 725 CG ASP A 51 -3.137 24.645 -28.262 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.339 25.795 -27.816 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.005 24.123 -28.323 1.00 0.00 O ATOM 0 H ASP A 51 -5.714 25.497 -27.560 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.849 25.344 -30.197 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.801 23.349 -27.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.981 23.059 -29.423 1.00 0.00 H new ATOM 732 N LEU A 52 -7.491 23.559 -29.587 1.00 0.00 N ATOM 733 CA LEU A 52 -8.524 22.724 -30.191 1.00 0.00 C ATOM 734 C LEU A 52 -9.447 23.556 -31.076 1.00 0.00 C ATOM 735 O LEU A 52 -10.058 23.040 -32.013 1.00 0.00 O ATOM 736 CB LEU A 52 -9.337 22.019 -29.105 1.00 0.00 C ATOM 737 CG LEU A 52 -8.573 21.019 -28.237 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.188 20.938 -26.848 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.555 19.647 -28.895 1.00 0.00 C ATOM 0 H LEU A 52 -7.722 23.908 -28.657 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.034 21.974 -30.812 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.771 22.778 -28.454 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.166 21.496 -29.582 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.544 21.366 -28.137 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.631 20.221 -26.245 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.148 21.919 -26.375 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.226 20.615 -26.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.007 18.948 -28.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.578 19.293 -29.026 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.068 19.716 -29.867 1.00 0.00 H new ATOM 751 N LEU A 53 -9.544 24.846 -30.773 1.00 0.00 N ATOM 752 CA LEU A 53 -10.391 25.751 -31.542 1.00 0.00 C ATOM 753 C LEU A 53 -9.645 26.298 -32.755 1.00 0.00 C ATOM 754 O LEU A 53 -10.258 26.690 -33.747 1.00 0.00 O ATOM 755 CB LEU A 53 -10.871 26.905 -30.660 1.00 0.00 C ATOM 756 CG LEU A 53 -11.449 28.115 -31.395 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.668 27.712 -32.210 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.807 29.217 -30.408 1.00 0.00 C ATOM 0 H LEU A 53 -9.047 25.289 -30.000 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.255 25.188 -31.895 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.630 26.523 -29.977 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.033 27.242 -30.049 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.690 28.498 -32.078 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.066 28.586 -32.726 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.383 26.957 -32.942 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.431 27.304 -31.547 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.217 30.070 -30.948 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.548 28.845 -29.701 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.912 29.526 -29.867 1.00 0.00 H new ATOM 770 N GLU A 54 -8.319 26.319 -32.667 1.00 0.00 N ATOM 771 CA GLU A 54 -7.489 26.817 -33.758 1.00 0.00 C ATOM 772 C GLU A 54 -7.310 25.751 -34.835 1.00 0.00 C ATOM 773 O GLU A 54 -7.089 26.067 -36.005 1.00 0.00 O ATOM 774 CB GLU A 54 -6.123 27.258 -33.229 1.00 0.00 C ATOM 775 CG GLU A 54 -5.226 26.102 -32.821 1.00 0.00 C ATOM 776 CD GLU A 54 -3.847 26.559 -32.388 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.620 27.785 -32.324 1.00 0.00 O ATOM 778 OE2 GLU A 54 -2.994 25.689 -32.111 1.00 0.00 O ATOM 0 H GLU A 54 -7.797 25.997 -31.852 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.993 27.676 -34.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.618 27.845 -33.996 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.270 27.914 -32.371 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.696 25.553 -32.005 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.129 25.409 -33.657 1.00 0.00 H new ATOM 785 N ILE A 55 -7.406 24.489 -34.432 1.00 0.00 N ATOM 786 CA ILE A 55 -7.255 23.376 -35.362 1.00 0.00 C ATOM 787 C ILE A 55 -8.520 23.176 -36.189 1.00 0.00 C ATOM 788 O ILE A 55 -8.471 22.649 -37.300 1.00 0.00 O ATOM 789 CB ILE A 55 -6.925 22.066 -34.623 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.028 21.731 -33.617 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.578 22.176 -33.924 1.00 0.00 C ATOM 792 CD1 ILE A 55 -7.918 20.336 -33.042 1.00 0.00 C ATOM 0 H ILE A 55 -7.588 24.211 -33.468 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.427 23.628 -36.024 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.868 21.259 -35.353 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.997 22.454 -32.802 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.997 21.839 -34.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.359 21.242 -33.406 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.800 22.373 -34.662 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.608 22.992 -33.202 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.732 20.168 -32.337 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.979 19.604 -33.848 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.964 20.229 -32.526 1.00 0.00 H new ATOM 804 N GLY A 56 -9.654 23.602 -35.640 1.00 0.00 N ATOM 805 CA GLY A 56 -10.916 23.462 -36.342 1.00 0.00 C ATOM 806 C GLY A 56 -12.062 23.121 -35.411 1.00 0.00 C ATOM 807 O GLY A 56 -13.142 23.706 -35.504 1.00 0.00 O ATOM 0 H GLY A 56 -9.721 24.041 -34.722 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.142 24.391 -36.866 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.823 22.683 -37.099 1.00 0.00 H new ATOM 811 N ILE A 57 -11.829 22.171 -34.512 1.00 0.00 N ATOM 812 CA ILE A 57 -12.851 21.752 -33.561 1.00 0.00 C ATOM 813 C ILE A 57 -13.442 22.951 -32.826 1.00 0.00 C ATOM 814 O ILE A 57 -12.817 23.508 -31.923 1.00 0.00 O ATOM 815 CB ILE A 57 -12.287 20.758 -32.529 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.696 19.536 -33.235 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.373 20.337 -31.550 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.025 18.561 -32.294 1.00 0.00 C ATOM 0 H ILE A 57 -10.941 21.677 -34.422 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.634 21.259 -34.137 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.492 21.251 -31.969 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.489 19.020 -33.775 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.971 19.870 -33.977 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.959 19.634 -30.827 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.752 21.215 -31.027 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.188 19.859 -32.094 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.629 17.720 -32.863 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.210 19.062 -31.772 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.752 18.198 -31.568 1.00 0.00 H new ATOM 830 N LEU A 58 -14.650 23.341 -33.217 1.00 0.00 N ATOM 831 CA LEU A 58 -15.327 24.473 -32.594 1.00 0.00 C ATOM 832 C LEU A 58 -16.215 24.010 -31.443 1.00 0.00 C ATOM 833 O LEU A 58 -16.451 24.753 -30.491 1.00 0.00 O ATOM 834 CB LEU A 58 -16.166 25.224 -33.630 1.00 0.00 C ATOM 835 CG LEU A 58 -15.460 25.571 -34.941 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.363 26.417 -35.825 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.149 26.293 -34.667 1.00 0.00 C ATOM 0 H LEU A 58 -15.181 22.890 -33.962 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.567 25.145 -32.195 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.045 24.622 -33.862 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.524 26.149 -33.177 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.236 24.643 -35.468 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.844 26.654 -36.754 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.274 25.863 -36.050 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.619 27.341 -35.306 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.661 26.532 -35.612 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.348 27.214 -34.119 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.497 25.651 -34.074 1.00 0.00 H new ATOM 849 N ASN A 59 -16.701 22.777 -31.537 1.00 0.00 N ATOM 850 CA ASN A 59 -17.561 22.214 -30.502 1.00 0.00 C ATOM 851 C ASN A 59 -16.919 22.354 -29.125 1.00 0.00 C ATOM 852 O ASN A 59 -16.007 21.606 -28.776 1.00 0.00 O ATOM 853 CB ASN A 59 -17.849 20.740 -30.796 1.00 0.00 C ATOM 854 CG ASN A 59 -19.065 20.554 -31.682 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.172 20.964 -31.332 1.00 0.00 O ATOM 856 ND2 ASN A 59 -18.864 19.932 -32.839 1.00 0.00 N ATOM 0 H ASN A 59 -16.514 22.149 -32.319 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.500 22.768 -30.503 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.980 20.292 -31.278 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.002 20.208 -29.857 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.644 19.778 -33.477 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.929 19.609 -33.089 1.00 0.00 H new ATOM 863 N SER A 60 -17.404 23.317 -28.348 1.00 0.00 N ATOM 864 CA SER A 60 -16.875 23.558 -27.010 1.00 0.00 C ATOM 865 C SER A 60 -17.169 22.378 -26.090 1.00 0.00 C ATOM 866 O SER A 60 -16.306 21.938 -25.331 1.00 0.00 O ATOM 867 CB SER A 60 -17.475 24.838 -26.425 1.00 0.00 C ATOM 868 OG SER A 60 -16.464 25.685 -25.908 1.00 0.00 O ATOM 0 H SER A 60 -18.162 23.943 -28.621 1.00 0.00 H new ATOM 0 HA SER A 60 -15.794 23.675 -27.088 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.037 25.366 -27.196 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.181 24.584 -25.634 1.00 0.00 H new ATOM 0 HG SER A 60 -16.873 26.497 -25.542 1.00 0.00 H new ATOM 874 N GLY A 61 -18.395 21.869 -26.162 1.00 0.00 N ATOM 875 CA GLY A 61 -18.783 20.745 -25.331 1.00 0.00 C ATOM 876 C GLY A 61 -17.872 19.547 -25.514 1.00 0.00 C ATOM 877 O GLY A 61 -17.774 18.691 -24.634 1.00 0.00 O ATOM 0 H GLY A 61 -19.127 22.216 -26.782 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.772 21.050 -24.285 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.807 20.458 -25.568 1.00 0.00 H new ATOM 881 N HIS A 62 -17.203 19.484 -26.662 1.00 0.00 N ATOM 882 CA HIS A 62 -16.296 18.381 -26.958 1.00 0.00 C ATOM 883 C HIS A 62 -14.864 18.736 -26.568 1.00 0.00 C ATOM 884 O HIS A 62 -14.118 17.891 -26.073 1.00 0.00 O ATOM 885 CB HIS A 62 -16.359 18.026 -28.444 1.00 0.00 C ATOM 886 CG HIS A 62 -17.549 17.194 -28.811 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.851 16.844 -30.110 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.514 16.640 -28.040 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.951 16.112 -30.122 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.373 15.974 -28.878 1.00 0.00 N ATOM 0 H HIS A 62 -17.272 20.183 -27.401 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.610 17.517 -26.372 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.375 18.946 -29.029 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.451 17.489 -28.720 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.593 16.709 -26.965 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.424 15.697 -31.000 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.203 15.457 -28.587 1.00 0.00 H new ATOM 898 N ARG A 63 -14.487 19.990 -26.796 1.00 0.00 N ATOM 899 CA ARG A 63 -13.145 20.455 -26.471 1.00 0.00 C ATOM 900 C ARG A 63 -12.789 20.121 -25.025 1.00 0.00 C ATOM 901 O ARG A 63 -11.640 19.806 -24.716 1.00 0.00 O ATOM 902 CB ARG A 63 -13.036 21.964 -26.698 1.00 0.00 C ATOM 903 CG ARG A 63 -12.859 22.349 -28.158 1.00 0.00 C ATOM 904 CD ARG A 63 -12.294 23.753 -28.300 1.00 0.00 C ATOM 905 NE ARG A 63 -13.177 24.760 -27.718 1.00 0.00 N ATOM 906 CZ ARG A 63 -12.772 25.972 -27.355 1.00 0.00 C ATOM 907 NH1 ARG A 63 -11.504 26.326 -27.514 1.00 0.00 N ATOM 908 NH2 ARG A 63 -13.636 26.833 -26.832 1.00 0.00 N ATOM 0 H ARG A 63 -15.093 20.702 -27.205 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.442 19.944 -27.128 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.933 22.447 -26.310 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.193 22.349 -26.125 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.193 21.637 -28.645 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.819 22.289 -28.670 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.319 23.802 -27.815 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.137 23.975 -29.355 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.159 24.519 -27.583 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.837 25.667 -27.916 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.196 27.257 -27.234 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.612 26.564 -26.708 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.324 27.763 -26.554 1.00 0.00 H new ATOM 922 N GLN A 64 -13.782 20.194 -24.145 1.00 0.00 N ATOM 923 CA GLN A 64 -13.573 19.900 -22.732 1.00 0.00 C ATOM 924 C GLN A 64 -13.247 18.425 -22.524 1.00 0.00 C ATOM 925 O GLN A 64 -12.254 18.083 -21.882 1.00 0.00 O ATOM 926 CB GLN A 64 -14.814 20.279 -21.921 1.00 0.00 C ATOM 927 CG GLN A 64 -15.008 21.780 -21.773 1.00 0.00 C ATOM 928 CD GLN A 64 -16.288 22.132 -21.041 1.00 0.00 C ATOM 929 OE1 GLN A 64 -17.079 22.951 -21.510 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.499 21.514 -19.885 1.00 0.00 N ATOM 0 H GLN A 64 -14.739 20.454 -24.385 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.726 20.492 -22.386 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.695 19.852 -22.400 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.741 19.831 -20.930 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.159 22.201 -21.235 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.020 22.240 -22.761 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.817 20.842 -19.534 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.344 21.711 -19.348 1.00 0.00 H new ATOM 939 N ARG A 65 -14.090 17.555 -23.072 1.00 0.00 N ATOM 940 CA ARG A 65 -13.892 16.116 -22.946 1.00 0.00 C ATOM 941 C ARG A 65 -12.480 15.722 -23.371 1.00 0.00 C ATOM 942 O ARG A 65 -11.903 14.774 -22.838 1.00 0.00 O ATOM 943 CB ARG A 65 -14.920 15.362 -23.792 1.00 0.00 C ATOM 944 CG ARG A 65 -16.106 14.849 -22.993 1.00 0.00 C ATOM 945 CD ARG A 65 -17.141 14.192 -23.893 1.00 0.00 C ATOM 946 NE ARG A 65 -17.570 12.894 -23.378 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.430 12.748 -22.377 1.00 0.00 C ATOM 948 NH1 ARG A 65 -18.952 13.815 -21.786 1.00 0.00 N ATOM 949 NH2 ARG A 65 -18.771 11.534 -21.965 1.00 0.00 N ATOM 0 H ARG A 65 -14.916 17.822 -23.607 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.026 15.847 -21.898 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.282 16.021 -24.581 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.429 14.520 -24.280 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.762 14.131 -22.248 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.566 15.675 -22.451 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.006 14.848 -23.989 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.724 14.066 -24.892 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.188 12.053 -23.811 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.693 14.750 -22.100 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.612 13.700 -21.017 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.372 10.711 -22.417 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.432 11.423 -21.196 1.00 0.00 H new ATOM 963 N ILE A 66 -11.931 16.456 -24.334 1.00 0.00 N ATOM 964 CA ILE A 66 -10.588 16.183 -24.830 1.00 0.00 C ATOM 965 C ILE A 66 -9.531 16.611 -23.817 1.00 0.00 C ATOM 966 O ILE A 66 -8.601 15.861 -23.520 1.00 0.00 O ATOM 967 CB ILE A 66 -10.324 16.903 -26.165 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.350 16.469 -27.215 1.00 0.00 C ATOM 969 CG2 ILE A 66 -8.910 16.619 -26.650 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.231 17.220 -28.522 1.00 0.00 C ATOM 0 H ILE A 66 -12.396 17.244 -24.786 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.522 15.107 -24.988 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.424 17.977 -26.008 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.233 15.402 -27.406 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.353 16.613 -26.813 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.739 17.135 -27.595 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.193 16.972 -25.909 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.784 15.546 -26.795 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -11.989 16.861 -29.218 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.378 18.285 -28.344 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.241 17.056 -28.947 1.00 0.00 H new ATOM 982 N LEU A 67 -9.681 17.820 -23.289 1.00 0.00 N ATOM 983 CA LEU A 67 -8.740 18.349 -22.307 1.00 0.00 C ATOM 984 C LEU A 67 -8.598 17.398 -21.123 1.00 0.00 C ATOM 985 O LEU A 67 -7.489 17.123 -20.666 1.00 0.00 O ATOM 986 CB LEU A 67 -9.200 19.724 -21.820 1.00 0.00 C ATOM 987 CG LEU A 67 -8.876 20.904 -22.738 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.994 21.933 -22.698 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.550 21.538 -22.343 1.00 0.00 C ATOM 0 H LEU A 67 -10.445 18.453 -23.524 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.767 18.448 -22.788 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.279 19.692 -21.670 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.748 19.912 -20.846 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.788 20.533 -23.759 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.746 22.765 -23.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.925 21.472 -23.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.114 22.300 -21.679 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.335 22.376 -23.007 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.609 21.895 -21.315 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.754 20.798 -22.424 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.729 16.900 -20.632 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.729 15.979 -19.502 1.00 0.00 C ATOM 1003 C GLN A 68 -8.843 14.770 -19.784 1.00 0.00 C ATOM 1004 O GLN A 68 -7.953 14.444 -18.999 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.155 15.519 -19.192 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.617 15.873 -17.788 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.941 16.610 -17.777 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.963 16.069 -17.352 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -12.931 17.852 -18.246 1.00 0.00 N ATOM 0 H GLN A 68 -10.655 17.119 -20.999 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.328 16.506 -18.637 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.837 15.967 -19.914 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.216 14.439 -19.324 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.709 14.960 -17.199 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.859 16.489 -17.305 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.061 18.261 -18.588 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.793 18.397 -18.264 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.092 14.109 -20.909 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.316 12.937 -21.296 1.00 0.00 C ATOM 1020 C ALA A 69 -6.826 13.258 -21.343 1.00 0.00 C ATOM 1021 O ALA A 69 -6.008 12.540 -20.766 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.788 12.412 -22.643 1.00 0.00 C ATOM 0 H ALA A 69 -9.826 14.365 -21.569 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.471 12.164 -20.544 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.200 11.537 -22.919 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.840 12.136 -22.577 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.663 13.187 -23.400 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.479 14.339 -22.034 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.087 14.753 -22.155 1.00 0.00 C ATOM 1030 C ILE A 70 -4.441 14.920 -20.784 1.00 0.00 C ATOM 1031 O ILE A 70 -3.251 14.658 -20.613 1.00 0.00 O ATOM 1032 CB ILE A 70 -4.959 16.076 -22.935 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.567 15.930 -24.331 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.501 16.497 -23.027 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.895 17.253 -24.988 1.00 0.00 C ATOM 0 H ILE A 70 -7.143 14.943 -22.518 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.570 13.965 -22.703 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.507 16.852 -22.400 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.872 15.381 -24.966 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.476 15.332 -24.262 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.427 17.433 -23.581 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.098 16.636 -22.024 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.931 15.724 -23.543 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.322 17.073 -25.975 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.614 17.796 -24.374 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.985 17.845 -25.089 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.235 15.355 -19.811 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.740 15.555 -18.454 1.00 0.00 C ATOM 1049 C GLN A 71 -4.387 14.223 -17.801 1.00 0.00 C ATOM 1050 O GLN A 71 -3.512 14.155 -16.937 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.785 16.289 -17.611 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.502 17.774 -17.451 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.667 18.248 -16.020 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -4.919 17.843 -15.130 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -6.650 19.111 -15.791 1.00 0.00 N ATOM 0 H GLN A 71 -6.223 15.576 -19.937 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.836 16.162 -18.510 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.765 16.162 -18.070 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.833 15.828 -16.624 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.486 17.985 -17.785 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.173 18.340 -18.097 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.246 19.420 -16.559 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.809 19.465 -14.848 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.074 13.165 -18.219 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.833 11.833 -17.675 1.00 0.00 C ATOM 1066 C LEU A 72 -3.658 11.161 -18.378 1.00 0.00 C ATOM 1067 O LEU A 72 -2.978 10.311 -17.801 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.087 10.969 -17.815 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.392 11.595 -17.321 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.590 10.877 -17.923 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.457 11.563 -15.801 1.00 0.00 C ATOM 0 H LEU A 72 -5.802 13.204 -18.932 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.588 11.939 -16.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.208 10.707 -18.866 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.925 10.038 -17.271 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.418 12.636 -17.644 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.510 11.336 -17.560 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.551 10.952 -19.010 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.569 9.827 -17.631 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.392 12.013 -15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.408 10.530 -15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.618 12.123 -15.389 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.423 11.549 -19.627 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.328 10.986 -20.409 1.00 0.00 C ATOM 1085 C LEU A 73 -1.007 11.092 -19.653 1.00 0.00 C ATOM 1086 O LEU A 73 -0.850 11.901 -18.739 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.216 11.703 -21.756 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.154 11.211 -22.858 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.059 12.111 -24.081 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.834 9.771 -23.228 1.00 0.00 C ATOM 0 H LEU A 73 -3.976 12.251 -20.119 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.543 9.931 -20.582 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.401 12.765 -21.596 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.190 11.609 -22.111 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.176 11.250 -22.482 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.734 11.745 -24.855 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.339 13.128 -23.807 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.036 12.105 -24.459 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.512 9.438 -24.014 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.806 9.707 -23.584 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.955 9.135 -22.351 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.033 10.256 -20.042 1.00 0.00 N ATOM 1103 CA PRO A 74 1.292 10.238 -19.416 1.00 0.00 C ATOM 1104 C PRO A 74 2.102 11.489 -19.738 1.00 0.00 C ATOM 1105 O PRO A 74 2.146 11.933 -20.885 1.00 0.00 O ATOM 1106 CB PRO A 74 1.955 9.000 -20.024 1.00 0.00 C ATOM 1107 CG PRO A 74 1.266 8.804 -21.331 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.151 9.264 -21.125 1.00 0.00 C ATOM 0 HA PRO A 74 1.229 10.213 -18.328 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.026 9.151 -20.160 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.835 8.130 -19.379 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.752 9.379 -22.119 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.296 7.758 -21.635 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.566 9.706 -22.031 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.805 8.438 -20.844 1.00 0.00 H new