USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 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: B 81 GLN : amide:sc= 0.478 K(o=-0.85,f=-4.7!) USER MOD Set 1.2: B 85 GLN : amide:sc= -1.33 K(o=-0.85,f=-6.1!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 18 ASN : amide:sc= 1.12 K(o=1.1,f=-0.013) USER MOD Single : A 23 ASN : amide:sc= 1.28 K(o=1.3,f=-0.14) USER MOD Single : A 24 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.006) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 95:sc= 0.156 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.000301 K(o=-0.0003,f=-0.54) USER MOD Single : A 44 THR OG1 : rot 21:sc= 1.05 USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 49 SER OG : rot -90:sc= 0.902 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.19 K(o=0.19,f=-5.1!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 69 MET CE :methyl -104:sc= -0.806 (180deg=-4.19!) USER MOD Single : B 84 MET CE :methyl -177:sc= 0 (180deg=-0.00455) USER MOD Single : B 86 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-5.5!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= -2.67! C(o=-4.2!,f=-2.7!) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.183 F(o=-1.9!,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.239 11.149 -2.955 1.00 0.00 N ATOM 169 CA VAL A 12 -0.259 9.973 -2.074 1.00 0.00 C ATOM 170 C VAL A 12 1.063 9.779 -1.321 1.00 0.00 C ATOM 171 O VAL A 12 1.071 9.367 -0.162 1.00 0.00 O ATOM 172 CB VAL A 12 -0.613 8.684 -2.850 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.726 7.490 -1.912 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.905 8.876 -3.632 1.00 0.00 C ATOM 0 HA VAL A 12 -1.039 10.166 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 12 0.194 8.479 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.976 6.598 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.225 7.338 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.508 7.678 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.142 7.960 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.716 9.110 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.783 9.695 -4.340 1.00 0.00 H new ATOM 184 N GLY A 13 2.168 10.098 -1.973 1.00 0.00 N ATOM 185 CA GLY A 13 3.471 9.880 -1.383 1.00 0.00 C ATOM 186 C GLY A 13 4.116 8.631 -1.936 1.00 0.00 C ATOM 187 O GLY A 13 5.110 8.139 -1.402 1.00 0.00 O ATOM 0 H GLY A 13 2.186 10.507 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.111 10.741 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.374 9.794 -0.301 1.00 0.00 H new ATOM 191 N TRP A 14 3.541 8.125 -3.018 1.00 0.00 N ATOM 192 CA TRP A 14 4.032 6.924 -3.664 1.00 0.00 C ATOM 193 C TRP A 14 4.957 7.273 -4.819 1.00 0.00 C ATOM 194 O TRP A 14 4.590 8.031 -5.718 1.00 0.00 O ATOM 195 CB TRP A 14 2.865 6.071 -4.170 1.00 0.00 C ATOM 196 CG TRP A 14 3.300 4.914 -5.018 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.826 3.734 -4.583 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.257 4.831 -6.447 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.119 2.925 -5.653 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.778 3.576 -6.808 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.834 5.700 -7.456 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.882 3.166 -8.134 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.936 5.291 -8.773 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.458 4.034 -9.101 1.00 0.00 C ATOM 0 H TRP A 14 2.724 8.537 -3.469 1.00 0.00 H new ATOM 0 HA TRP A 14 4.595 6.351 -2.927 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.302 5.695 -3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.187 6.700 -4.747 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.989 3.473 -3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.525 1.991 -5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.435 6.673 -7.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.283 2.197 -8.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.608 5.952 -9.561 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.527 3.744 -10.139 1.00 0.00 H new ATOM 215 N ASP A 15 6.153 6.717 -4.781 1.00 0.00 N ATOM 216 CA ASP A 15 7.110 6.863 -5.861 1.00 0.00 C ATOM 217 C ASP A 15 7.236 5.539 -6.607 1.00 0.00 C ATOM 218 O ASP A 15 7.349 4.484 -5.992 1.00 0.00 O ATOM 219 CB ASP A 15 8.472 7.292 -5.310 1.00 0.00 C ATOM 220 CG ASP A 15 9.510 7.451 -6.400 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.567 8.535 -7.010 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.263 6.491 -6.658 1.00 0.00 O ATOM 0 H ASP A 15 6.488 6.152 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 15 6.760 7.633 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.364 8.235 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.818 6.553 -4.587 1.00 0.00 H new ATOM 227 N PRO A 16 7.204 5.588 -7.948 1.00 0.00 N ATOM 228 CA PRO A 16 7.217 4.395 -8.809 1.00 0.00 C ATOM 229 C PRO A 16 8.399 3.460 -8.552 1.00 0.00 C ATOM 230 O PRO A 16 8.315 2.263 -8.822 1.00 0.00 O ATOM 231 CB PRO A 16 7.298 4.968 -10.231 1.00 0.00 C ATOM 232 CG PRO A 16 7.701 6.394 -10.062 1.00 0.00 C ATOM 233 CD PRO A 16 7.138 6.822 -8.740 1.00 0.00 C ATOM 0 HA PRO A 16 6.337 3.779 -8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.025 4.423 -10.833 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.338 4.889 -10.742 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.786 6.499 -10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.310 7.010 -10.872 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.724 7.624 -8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.116 7.189 -8.834 1.00 0.00 H new ATOM 241 N GLN A 17 9.505 4.006 -8.056 1.00 0.00 N ATOM 242 CA GLN A 17 10.690 3.200 -7.797 1.00 0.00 C ATOM 243 C GLN A 17 10.879 2.934 -6.305 1.00 0.00 C ATOM 244 O GLN A 17 11.326 1.857 -5.909 1.00 0.00 O ATOM 245 CB GLN A 17 11.936 3.878 -8.355 1.00 0.00 C ATOM 246 CG GLN A 17 11.857 4.185 -9.843 1.00 0.00 C ATOM 247 CD GLN A 17 13.143 4.775 -10.383 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.886 5.445 -9.667 1.00 0.00 O ATOM 249 NE2 GLN A 17 13.414 4.531 -11.653 1.00 0.00 N ATOM 0 H GLN A 17 9.604 4.995 -7.827 1.00 0.00 H new ATOM 0 HA GLN A 17 10.542 2.244 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.107 4.807 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.799 3.238 -8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.624 3.270 -10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.038 4.881 -10.024 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.772 3.971 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.266 4.903 -12.073 1.00 0.00 H new ATOM 258 N ASN A 18 10.547 3.917 -5.481 1.00 0.00 N ATOM 259 CA ASN A 18 10.841 3.838 -4.052 1.00 0.00 C ATOM 260 C ASN A 18 9.632 3.412 -3.226 1.00 0.00 C ATOM 261 O ASN A 18 9.750 3.177 -2.027 1.00 0.00 O ATOM 262 CB ASN A 18 11.368 5.180 -3.543 1.00 0.00 C ATOM 263 CG ASN A 18 12.697 5.557 -4.168 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.762 5.199 -3.662 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.650 6.275 -5.280 1.00 0.00 N ATOM 0 H ASN A 18 10.077 4.774 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 18 11.605 3.070 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.636 5.959 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.479 5.136 -2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.514 6.550 -5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.749 6.553 -5.670 1.00 0.00 H new ATOM 272 N GLY A 19 8.474 3.319 -3.857 1.00 0.00 N ATOM 273 CA GLY A 19 7.285 2.895 -3.156 1.00 0.00 C ATOM 274 C GLY A 19 6.663 4.016 -2.352 1.00 0.00 C ATOM 275 O GLY A 19 6.866 5.193 -2.651 1.00 0.00 O ATOM 0 H GLY A 19 8.337 3.530 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.557 2.519 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.533 2.068 -2.491 1.00 0.00 H new ATOM 279 N PHE A 20 5.903 3.652 -1.336 1.00 0.00 N ATOM 280 CA PHE A 20 5.273 4.636 -0.465 1.00 0.00 C ATOM 281 C PHE A 20 6.296 5.192 0.508 1.00 0.00 C ATOM 282 O PHE A 20 6.949 4.434 1.222 1.00 0.00 O ATOM 283 CB PHE A 20 4.108 4.019 0.316 1.00 0.00 C ATOM 284 CG PHE A 20 2.963 3.575 -0.545 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.954 2.309 -1.102 1.00 0.00 C ATOM 286 CD2 PHE A 20 1.894 4.423 -0.794 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.905 1.895 -1.898 1.00 0.00 C ATOM 288 CE2 PHE A 20 0.839 4.015 -1.588 1.00 0.00 C ATOM 289 CZ PHE A 20 0.846 2.749 -2.142 1.00 0.00 C ATOM 0 H PHE A 20 5.705 2.682 -1.091 1.00 0.00 H new ATOM 0 HA PHE A 20 4.882 5.439 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.476 3.164 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.743 4.747 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.777 1.636 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.886 5.413 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.912 0.905 -2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.012 4.683 -1.775 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.025 2.427 -2.765 1.00 0.00 H new ATOM 299 N ASP A 21 6.442 6.511 0.527 1.00 0.00 N ATOM 300 CA ASP A 21 7.371 7.151 1.447 1.00 0.00 C ATOM 301 C ASP A 21 6.901 6.935 2.880 1.00 0.00 C ATOM 302 O ASP A 21 5.997 7.618 3.367 1.00 0.00 O ATOM 303 CB ASP A 21 7.500 8.647 1.151 1.00 0.00 C ATOM 304 CG ASP A 21 8.705 9.263 1.838 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.794 9.189 3.080 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.578 9.816 1.131 1.00 0.00 O ATOM 0 H ASP A 21 5.933 7.154 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 21 8.354 6.699 1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.581 8.797 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.595 9.160 1.478 1.00 0.00 H new ATOM 311 N VAL A 22 7.529 5.977 3.544 1.00 0.00 N ATOM 312 CA VAL A 22 7.103 5.530 4.864 1.00 0.00 C ATOM 313 C VAL A 22 7.375 6.560 5.958 1.00 0.00 C ATOM 314 O VAL A 22 6.980 6.366 7.107 1.00 0.00 O ATOM 315 CB VAL A 22 7.773 4.196 5.241 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.271 3.070 4.347 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.289 4.310 5.165 1.00 0.00 C ATOM 0 H VAL A 22 8.348 5.487 3.184 1.00 0.00 H new ATOM 0 HA VAL A 22 6.024 5.393 4.798 1.00 0.00 H new ATOM 0 HB VAL A 22 7.503 3.960 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.757 2.136 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.192 2.967 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.504 3.299 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.740 3.355 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.583 4.575 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.631 5.081 5.855 1.00 0.00 H new ATOM 327 N ASN A 23 8.033 7.655 5.608 1.00 0.00 N ATOM 328 CA ASN A 23 8.321 8.697 6.584 1.00 0.00 C ATOM 329 C ASN A 23 7.083 9.551 6.812 1.00 0.00 C ATOM 330 O ASN A 23 6.761 9.913 7.945 1.00 0.00 O ATOM 331 CB ASN A 23 9.483 9.589 6.130 1.00 0.00 C ATOM 332 CG ASN A 23 10.746 8.809 5.811 1.00 0.00 C ATOM 333 OD1 ASN A 23 11.551 8.507 6.693 1.00 0.00 O ATOM 334 ND2 ASN A 23 10.939 8.504 4.539 1.00 0.00 N ATOM 0 H ASN A 23 8.375 7.845 4.666 1.00 0.00 H new ATOM 0 HA ASN A 23 8.611 8.209 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.178 10.151 5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.701 10.317 6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.780 8.000 4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.247 8.773 3.839 1.00 0.00 H new ATOM 341 N ASN A 24 6.373 9.857 5.734 1.00 0.00 N ATOM 342 CA ASN A 24 5.198 10.715 5.818 1.00 0.00 C ATOM 343 C ASN A 24 3.925 9.968 5.438 1.00 0.00 C ATOM 344 O ASN A 24 2.986 10.554 4.894 1.00 0.00 O ATOM 345 CB ASN A 24 5.368 11.968 4.946 1.00 0.00 C ATOM 346 CG ASN A 24 5.800 11.660 3.524 1.00 0.00 C ATOM 347 OD1 ASN A 24 4.970 11.477 2.633 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.103 11.612 3.303 1.00 0.00 N ATOM 0 H ASN A 24 6.589 9.525 4.794 1.00 0.00 H new ATOM 0 HA ASN A 24 5.101 11.028 6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.425 12.515 4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.105 12.625 5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.454 11.417 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.757 11.770 4.070 1.00 0.00 H new ATOM 355 N LEU A 25 3.891 8.675 5.741 1.00 0.00 N ATOM 356 CA LEU A 25 2.687 7.877 5.537 1.00 0.00 C ATOM 357 C LEU A 25 1.583 8.353 6.465 1.00 0.00 C ATOM 358 O LEU A 25 1.800 8.507 7.672 1.00 0.00 O ATOM 359 CB LEU A 25 2.953 6.392 5.807 1.00 0.00 C ATOM 360 CG LEU A 25 3.634 5.613 4.686 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.933 4.200 5.153 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.751 5.568 3.453 1.00 0.00 C ATOM 0 H LEU A 25 4.681 8.158 6.128 1.00 0.00 H new ATOM 0 HA LEU A 25 2.382 7.999 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.569 6.312 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.002 5.909 6.030 1.00 0.00 H new ATOM 0 HG LEU A 25 4.566 6.117 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.419 3.647 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.592 4.235 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.002 3.702 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.255 5.008 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.808 5.080 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.555 6.583 3.108 1.00 0.00 H new ATOM 374 N ASP A 26 0.416 8.606 5.898 1.00 0.00 N ATOM 375 CA ASP A 26 -0.757 8.930 6.693 1.00 0.00 C ATOM 376 C ASP A 26 -1.118 7.742 7.563 1.00 0.00 C ATOM 377 O ASP A 26 -1.108 6.599 7.105 1.00 0.00 O ATOM 378 CB ASP A 26 -1.937 9.303 5.797 1.00 0.00 C ATOM 379 CG ASP A 26 -2.229 10.788 5.820 1.00 0.00 C ATOM 380 OD1 ASP A 26 -1.958 11.435 6.852 1.00 0.00 O ATOM 381 OD2 ASP A 26 -2.734 11.316 4.809 1.00 0.00 O ATOM 0 H ASP A 26 0.255 8.593 4.891 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.528 9.789 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.726 8.992 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.823 8.756 6.120 1.00 0.00 H new ATOM 386 N PRO A 27 -1.404 8.020 8.850 1.00 0.00 N ATOM 387 CA PRO A 27 -1.673 7.000 9.876 1.00 0.00 C ATOM 388 C PRO A 27 -2.672 5.941 9.434 1.00 0.00 C ATOM 389 O PRO A 27 -2.586 4.791 9.854 1.00 0.00 O ATOM 390 CB PRO A 27 -2.244 7.811 11.038 1.00 0.00 C ATOM 391 CG PRO A 27 -1.632 9.158 10.890 1.00 0.00 C ATOM 392 CD PRO A 27 -1.471 9.382 9.411 1.00 0.00 C ATOM 0 HA PRO A 27 -0.771 6.438 10.118 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.332 7.862 10.989 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.989 7.363 11.998 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.266 9.925 11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.669 9.207 11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.310 9.943 8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.568 9.950 9.189 1.00 0.00 H new ATOM 400 N ASP A 28 -3.613 6.339 8.596 1.00 0.00 N ATOM 401 CA ASP A 28 -4.614 5.427 8.065 1.00 0.00 C ATOM 402 C ASP A 28 -3.998 4.475 7.044 1.00 0.00 C ATOM 403 O ASP A 28 -4.156 3.260 7.154 1.00 0.00 O ATOM 404 CB ASP A 28 -5.756 6.223 7.435 1.00 0.00 C ATOM 405 CG ASP A 28 -5.251 7.304 6.503 1.00 0.00 C ATOM 406 OD1 ASP A 28 -4.850 8.376 6.996 1.00 0.00 O ATOM 407 OD2 ASP A 28 -5.242 7.084 5.275 1.00 0.00 O ATOM 0 H ASP A 28 -3.706 7.299 8.265 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.008 4.827 8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.408 5.546 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.359 6.676 8.222 1.00 0.00 H new ATOM 412 N LEU A 29 -3.293 5.025 6.058 1.00 0.00 N ATOM 413 CA LEU A 29 -2.594 4.210 5.076 1.00 0.00 C ATOM 414 C LEU A 29 -1.593 3.292 5.760 1.00 0.00 C ATOM 415 O LEU A 29 -1.515 2.105 5.452 1.00 0.00 O ATOM 416 CB LEU A 29 -1.863 5.094 4.069 1.00 0.00 C ATOM 417 CG LEU A 29 -2.752 5.973 3.195 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.890 6.851 2.308 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.690 5.119 2.357 1.00 0.00 C ATOM 0 H LEU A 29 -3.193 6.031 5.921 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.335 3.606 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.170 5.736 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.264 4.455 3.420 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.361 6.610 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.529 7.477 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.255 7.484 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.266 6.224 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.316 5.764 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.106 4.459 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.322 4.521 3.014 1.00 0.00 H new ATOM 431 N ARG A 30 -0.838 3.853 6.696 1.00 0.00 N ATOM 432 CA ARG A 30 0.172 3.099 7.421 1.00 0.00 C ATOM 433 C ARG A 30 -0.491 1.954 8.182 1.00 0.00 C ATOM 434 O ARG A 30 -0.025 0.817 8.141 1.00 0.00 O ATOM 435 CB ARG A 30 0.933 4.032 8.368 1.00 0.00 C ATOM 436 CG ARG A 30 2.328 3.547 8.761 1.00 0.00 C ATOM 437 CD ARG A 30 2.290 2.383 9.738 1.00 0.00 C ATOM 438 NE ARG A 30 3.633 1.933 10.104 1.00 0.00 N ATOM 439 CZ ARG A 30 3.881 0.924 10.939 1.00 0.00 C ATOM 440 NH1 ARG A 30 2.883 0.286 11.536 1.00 0.00 N ATOM 441 NH2 ARG A 30 5.134 0.566 11.187 1.00 0.00 N ATOM 0 H ARG A 30 -0.908 4.833 6.971 1.00 0.00 H new ATOM 0 HA ARG A 30 0.889 2.671 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.023 5.011 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.342 4.168 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.870 3.246 7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.883 4.372 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.750 2.681 10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.738 1.554 9.294 1.00 0.00 H new ATOM 0 HE ARG A 30 4.429 2.422 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.919 0.567 11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.080 -0.485 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.904 1.062 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.327 -0.206 11.825 1.00 0.00 H new ATOM 455 N SER A 31 -1.601 2.265 8.842 1.00 0.00 N ATOM 456 CA SER A 31 -2.364 1.272 9.581 1.00 0.00 C ATOM 457 C SER A 31 -2.844 0.170 8.643 1.00 0.00 C ATOM 458 O SER A 31 -2.705 -1.016 8.931 1.00 0.00 O ATOM 459 CB SER A 31 -3.576 1.932 10.252 1.00 0.00 C ATOM 460 OG SER A 31 -3.961 1.235 11.424 1.00 0.00 O ATOM 0 H SER A 31 -1.993 3.206 8.879 1.00 0.00 H new ATOM 0 HA SER A 31 -1.719 0.838 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.337 2.965 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.411 1.959 9.552 1.00 0.00 H new ATOM 0 HG SER A 31 -4.734 1.680 11.830 1.00 0.00 H new ATOM 466 N LEU A 32 -3.392 0.582 7.508 1.00 0.00 N ATOM 467 CA LEU A 32 -3.992 -0.333 6.559 1.00 0.00 C ATOM 468 C LEU A 32 -2.960 -1.249 5.929 1.00 0.00 C ATOM 469 O LEU A 32 -3.092 -2.465 5.978 1.00 0.00 O ATOM 470 CB LEU A 32 -4.702 0.463 5.474 1.00 0.00 C ATOM 471 CG LEU A 32 -5.641 -0.336 4.580 1.00 0.00 C ATOM 472 CD1 LEU A 32 -4.938 -0.801 3.314 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.226 -1.522 5.342 1.00 0.00 C ATOM 0 H LEU A 32 -3.431 1.561 7.223 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.705 -0.959 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.273 1.261 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.949 0.939 4.846 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.459 0.320 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.636 -1.368 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.583 0.065 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.091 -1.434 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.894 -2.081 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.419 -2.173 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.783 -1.160 6.206 1.00 0.00 H new ATOM 485 N PHE A 33 -1.953 -0.654 5.324 1.00 0.00 N ATOM 486 CA PHE A 33 -0.939 -1.409 4.596 1.00 0.00 C ATOM 487 C PHE A 33 -0.244 -2.420 5.498 1.00 0.00 C ATOM 488 O PHE A 33 -0.030 -3.569 5.111 1.00 0.00 O ATOM 489 CB PHE A 33 0.092 -0.471 3.972 1.00 0.00 C ATOM 490 CG PHE A 33 -0.482 0.504 2.975 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.638 0.200 2.257 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.145 1.724 2.743 1.00 0.00 C ATOM 493 CE1 PHE A 33 -2.146 1.090 1.336 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.362 2.610 1.816 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.506 2.292 1.111 1.00 0.00 C ATOM 0 H PHE A 33 -1.809 0.356 5.319 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.447 -1.954 3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.586 0.088 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.859 -1.069 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.140 -0.742 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.038 1.980 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.045 0.847 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.136 3.553 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.901 2.985 0.382 1.00 0.00 H new ATOM 505 N SER A 34 0.084 -1.998 6.705 1.00 0.00 N ATOM 506 CA SER A 34 0.705 -2.877 7.676 1.00 0.00 C ATOM 507 C SER A 34 -0.290 -3.922 8.185 1.00 0.00 C ATOM 508 O SER A 34 0.100 -4.964 8.713 1.00 0.00 O ATOM 509 CB SER A 34 1.252 -2.046 8.821 1.00 0.00 C ATOM 510 OG SER A 34 2.261 -1.161 8.360 1.00 0.00 O ATOM 0 H SER A 34 -0.071 -1.046 7.037 1.00 0.00 H new ATOM 0 HA SER A 34 1.525 -3.415 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.445 -1.477 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.660 -2.701 9.590 1.00 0.00 H new ATOM 0 HG SER A 34 1.865 -0.285 8.168 1.00 0.00 H new ATOM 516 N ARG A 35 -1.579 -3.646 8.006 1.00 0.00 N ATOM 517 CA ARG A 35 -2.627 -4.591 8.369 1.00 0.00 C ATOM 518 C ARG A 35 -2.933 -5.489 7.178 1.00 0.00 C ATOM 519 O ARG A 35 -3.654 -6.479 7.289 1.00 0.00 O ATOM 520 CB ARG A 35 -3.885 -3.853 8.820 1.00 0.00 C ATOM 521 CG ARG A 35 -4.839 -4.743 9.585 1.00 0.00 C ATOM 522 CD ARG A 35 -5.993 -3.958 10.187 1.00 0.00 C ATOM 523 NE ARG A 35 -6.975 -3.508 9.208 1.00 0.00 N ATOM 524 CZ ARG A 35 -8.061 -2.809 9.541 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.290 -2.498 10.813 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.929 -2.439 8.618 1.00 0.00 N ATOM 0 H ARG A 35 -1.922 -2.771 7.610 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.281 -5.204 9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.601 -3.008 9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.395 -3.445 7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.232 -5.511 8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.297 -5.257 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.493 -4.579 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.594 -3.090 10.713 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.825 -3.738 8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.635 -2.794 11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.121 -1.963 11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.772 -2.687 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.757 -1.905 8.881 1.00 0.00 H new ATOM 540 N ALA A 36 -2.362 -5.128 6.040 1.00 0.00 N ATOM 541 CA ALA A 36 -2.503 -5.897 4.818 1.00 0.00 C ATOM 542 C ALA A 36 -1.300 -6.815 4.640 1.00 0.00 C ATOM 543 O ALA A 36 -1.134 -7.455 3.606 1.00 0.00 O ATOM 544 CB ALA A 36 -2.650 -4.958 3.631 1.00 0.00 C ATOM 0 H ALA A 36 -1.787 -4.292 5.939 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.399 -6.515 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.755 -5.541 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.534 -4.334 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.766 -4.324 3.557 1.00 0.00 H new ATOM 550 N GLY A 37 -0.446 -6.850 5.654 1.00 0.00 N ATOM 551 CA GLY A 37 0.691 -7.747 5.636 1.00 0.00 C ATOM 552 C GLY A 37 1.905 -7.135 4.970 1.00 0.00 C ATOM 553 O GLY A 37 2.989 -7.713 4.994 1.00 0.00 O ATOM 0 H GLY A 37 -0.521 -6.271 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.945 -8.027 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.418 -8.664 5.113 1.00 0.00 H new ATOM 557 N ILE A 38 1.721 -5.967 4.368 1.00 0.00 N ATOM 558 CA ILE A 38 2.807 -5.273 3.711 1.00 0.00 C ATOM 559 C ILE A 38 3.730 -4.638 4.739 1.00 0.00 C ATOM 560 O ILE A 38 3.380 -3.639 5.372 1.00 0.00 O ATOM 561 CB ILE A 38 2.281 -4.178 2.774 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.069 -4.688 1.999 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.380 -3.743 1.815 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.202 -3.584 1.458 1.00 0.00 C ATOM 0 H ILE A 38 0.824 -5.484 4.324 1.00 0.00 H new ATOM 0 HA ILE A 38 3.357 -6.009 3.124 1.00 0.00 H new ATOM 0 HB ILE A 38 1.975 -3.318 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.411 -5.311 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.471 -5.324 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.999 -2.965 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.225 -3.354 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.704 -4.598 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.641 -4.015 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.168 -2.975 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.786 -2.961 0.781 1.00 0.00 H new ATOM 576 N SER A 39 4.893 -5.235 4.915 1.00 0.00 N ATOM 577 CA SER A 39 5.890 -4.699 5.820 1.00 0.00 C ATOM 578 C SER A 39 6.461 -3.392 5.263 1.00 0.00 C ATOM 579 O SER A 39 6.335 -3.129 4.067 1.00 0.00 O ATOM 580 CB SER A 39 6.999 -5.724 6.031 1.00 0.00 C ATOM 581 OG SER A 39 6.458 -7.002 6.340 1.00 0.00 O ATOM 0 H SER A 39 5.171 -6.094 4.441 1.00 0.00 H new ATOM 0 HA SER A 39 5.423 -4.486 6.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.612 -5.792 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.653 -5.397 6.839 1.00 0.00 H new ATOM 0 HG SER A 39 7.188 -7.643 6.469 1.00 0.00 H new ATOM 587 N GLU A 40 7.086 -2.587 6.115 1.00 0.00 N ATOM 588 CA GLU A 40 7.588 -1.268 5.717 1.00 0.00 C ATOM 589 C GLU A 40 8.481 -1.375 4.478 1.00 0.00 C ATOM 590 O GLU A 40 8.333 -0.610 3.521 1.00 0.00 O ATOM 591 CB GLU A 40 8.366 -0.646 6.877 1.00 0.00 C ATOM 592 CG GLU A 40 8.819 0.781 6.628 1.00 0.00 C ATOM 593 CD GLU A 40 9.600 1.344 7.795 1.00 0.00 C ATOM 594 OE1 GLU A 40 8.992 1.596 8.853 1.00 0.00 O ATOM 595 OE2 GLU A 40 10.829 1.531 7.660 1.00 0.00 O ATOM 0 H GLU A 40 7.260 -2.823 7.092 1.00 0.00 H new ATOM 0 HA GLU A 40 6.739 -0.631 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.742 -0.667 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.241 -1.262 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.437 0.813 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.948 1.409 6.439 1.00 0.00 H new ATOM 602 N ALA A 41 9.387 -2.348 4.497 1.00 0.00 N ATOM 603 CA ALA A 41 10.277 -2.591 3.367 1.00 0.00 C ATOM 604 C ALA A 41 9.488 -2.971 2.117 1.00 0.00 C ATOM 605 O ALA A 41 9.710 -2.424 1.043 1.00 0.00 O ATOM 606 CB ALA A 41 11.285 -3.677 3.714 1.00 0.00 C ATOM 0 H ALA A 41 9.524 -2.982 5.284 1.00 0.00 H new ATOM 0 HA ALA A 41 10.816 -1.668 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.943 -3.848 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.878 -3.362 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.757 -4.599 3.956 1.00 0.00 H new ATOM 612 N GLN A 42 8.543 -3.885 2.276 1.00 0.00 N ATOM 613 CA GLN A 42 7.724 -4.353 1.161 1.00 0.00 C ATOM 614 C GLN A 42 6.927 -3.193 0.568 1.00 0.00 C ATOM 615 O GLN A 42 6.678 -3.131 -0.635 1.00 0.00 O ATOM 616 CB GLN A 42 6.765 -5.442 1.640 1.00 0.00 C ATOM 617 CG GLN A 42 6.203 -6.302 0.521 1.00 0.00 C ATOM 618 CD GLN A 42 5.166 -7.291 1.009 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.197 -7.726 2.156 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.248 -7.666 0.135 1.00 0.00 N ATOM 0 H GLN A 42 8.321 -4.321 3.171 1.00 0.00 H new ATOM 0 HA GLN A 42 8.380 -4.763 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.285 -6.083 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.939 -4.975 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.757 -5.658 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.018 -6.844 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.256 -7.281 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.532 -8.340 0.405 1.00 0.00 H new ATOM 629 N LEU A 43 6.545 -2.269 1.436 1.00 0.00 N ATOM 630 CA LEU A 43 5.761 -1.106 1.050 1.00 0.00 C ATOM 631 C LEU A 43 6.587 -0.163 0.179 1.00 0.00 C ATOM 632 O LEU A 43 6.044 0.674 -0.545 1.00 0.00 O ATOM 633 CB LEU A 43 5.290 -0.385 2.310 1.00 0.00 C ATOM 634 CG LEU A 43 4.182 0.642 2.122 1.00 0.00 C ATOM 635 CD1 LEU A 43 2.959 0.000 1.495 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.827 1.256 3.460 1.00 0.00 C ATOM 0 H LEU A 43 6.770 -2.305 2.430 1.00 0.00 H new ATOM 0 HA LEU A 43 4.898 -1.431 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.946 -1.133 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.148 0.115 2.760 1.00 0.00 H new ATOM 0 HG LEU A 43 4.536 1.425 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.178 0.750 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.224 -0.415 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.594 -0.798 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.034 1.991 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.486 0.475 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.706 1.744 3.881 1.00 0.00 H new ATOM 648 N THR A 44 7.903 -0.313 0.249 1.00 0.00 N ATOM 649 CA THR A 44 8.805 0.509 -0.535 1.00 0.00 C ATOM 650 C THR A 44 9.446 -0.305 -1.658 1.00 0.00 C ATOM 651 O THR A 44 10.413 0.130 -2.289 1.00 0.00 O ATOM 652 CB THR A 44 9.883 1.160 0.358 1.00 0.00 C ATOM 653 OG1 THR A 44 10.385 0.213 1.313 1.00 0.00 O ATOM 654 CG2 THR A 44 9.312 2.363 1.092 1.00 0.00 C ATOM 0 H THR A 44 8.367 -0.999 0.844 1.00 0.00 H new ATOM 0 HA THR A 44 8.220 1.309 -0.988 1.00 0.00 H new ATOM 0 HB THR A 44 10.700 1.487 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.195 -0.697 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.086 2.809 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.961 3.098 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.479 2.045 1.719 1.00 0.00 H new ATOM 662 N ASP A 45 8.897 -1.492 -1.899 1.00 0.00 N ATOM 663 CA ASP A 45 9.295 -2.304 -3.041 1.00 0.00 C ATOM 664 C ASP A 45 8.496 -1.899 -4.274 1.00 0.00 C ATOM 665 O ASP A 45 7.325 -1.528 -4.162 1.00 0.00 O ATOM 666 CB ASP A 45 9.106 -3.798 -2.756 1.00 0.00 C ATOM 667 CG ASP A 45 10.315 -4.415 -2.081 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.360 -4.563 -2.746 1.00 0.00 O ATOM 669 OD2 ASP A 45 10.233 -4.752 -0.877 1.00 0.00 O ATOM 0 H ASP A 45 8.173 -1.913 -1.316 1.00 0.00 H new ATOM 0 HA ASP A 45 10.355 -2.129 -3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.230 -3.936 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.909 -4.322 -3.692 1.00 0.00 H new ATOM 674 N ALA A 46 9.130 -1.977 -5.437 1.00 0.00 N ATOM 675 CA ALA A 46 8.573 -1.415 -6.667 1.00 0.00 C ATOM 676 C ALA A 46 7.195 -1.983 -7.007 1.00 0.00 C ATOM 677 O ALA A 46 6.188 -1.280 -6.906 1.00 0.00 O ATOM 678 CB ALA A 46 9.528 -1.637 -7.825 1.00 0.00 C ATOM 0 H ALA A 46 10.037 -2.427 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 46 8.444 -0.346 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.102 -1.214 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.480 -1.151 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.690 -2.706 -7.963 1.00 0.00 H new ATOM 684 N GLU A 47 7.146 -3.254 -7.389 1.00 0.00 N ATOM 685 CA GLU A 47 5.904 -3.851 -7.866 1.00 0.00 C ATOM 686 C GLU A 47 4.865 -3.933 -6.755 1.00 0.00 C ATOM 687 O GLU A 47 3.683 -3.693 -6.993 1.00 0.00 O ATOM 688 CB GLU A 47 6.136 -5.239 -8.486 1.00 0.00 C ATOM 689 CG GLU A 47 6.885 -6.220 -7.597 1.00 0.00 C ATOM 690 CD GLU A 47 8.386 -6.079 -7.703 1.00 0.00 C ATOM 691 OE1 GLU A 47 8.951 -5.167 -7.071 1.00 0.00 O ATOM 692 OE2 GLU A 47 9.003 -6.883 -8.431 1.00 0.00 O ATOM 0 H GLU A 47 7.946 -3.887 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 47 5.520 -3.196 -8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.170 -5.671 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.691 -5.117 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.583 -6.068 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.600 -7.237 -7.866 1.00 0.00 H new ATOM 699 N THR A 48 5.305 -4.276 -5.548 1.00 0.00 N ATOM 700 CA THR A 48 4.414 -4.328 -4.400 1.00 0.00 C ATOM 701 C THR A 48 3.629 -3.026 -4.242 1.00 0.00 C ATOM 702 O THR A 48 2.399 -3.026 -4.283 1.00 0.00 O ATOM 703 CB THR A 48 5.196 -4.605 -3.105 1.00 0.00 C ATOM 704 OG1 THR A 48 6.042 -5.750 -3.278 1.00 0.00 O ATOM 705 CG2 THR A 48 4.237 -4.839 -1.947 1.00 0.00 C ATOM 0 H THR A 48 6.273 -4.522 -5.342 1.00 0.00 H new ATOM 0 HA THR A 48 3.714 -5.144 -4.580 1.00 0.00 H new ATOM 0 HB THR A 48 5.814 -3.736 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.538 -5.919 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.805 -5.034 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.616 -3.955 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.602 -5.697 -2.168 1.00 0.00 H new ATOM 713 N SER A 49 4.345 -1.919 -4.092 1.00 0.00 N ATOM 714 CA SER A 49 3.715 -0.627 -3.862 1.00 0.00 C ATOM 715 C SER A 49 2.880 -0.203 -5.068 1.00 0.00 C ATOM 716 O SER A 49 1.798 0.365 -4.922 1.00 0.00 O ATOM 717 CB SER A 49 4.784 0.425 -3.564 1.00 0.00 C ATOM 718 OG SER A 49 5.690 0.550 -4.646 1.00 0.00 O ATOM 0 H SER A 49 5.364 -1.891 -4.126 1.00 0.00 H new ATOM 0 HA SER A 49 3.048 -0.716 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.309 1.387 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.328 0.150 -2.660 1.00 0.00 H new ATOM 0 HG SER A 49 6.440 -0.068 -4.518 1.00 0.00 H new ATOM 724 N LYS A 50 3.389 -0.499 -6.256 1.00 0.00 N ATOM 725 CA LYS A 50 2.713 -0.155 -7.499 1.00 0.00 C ATOM 726 C LYS A 50 1.353 -0.842 -7.593 1.00 0.00 C ATOM 727 O LYS A 50 0.378 -0.255 -8.069 1.00 0.00 O ATOM 728 CB LYS A 50 3.599 -0.549 -8.685 1.00 0.00 C ATOM 729 CG LYS A 50 3.045 -0.169 -10.048 1.00 0.00 C ATOM 730 CD LYS A 50 4.050 -0.492 -11.142 1.00 0.00 C ATOM 731 CE LYS A 50 3.519 -0.150 -12.521 1.00 0.00 C ATOM 732 NZ LYS A 50 4.534 -0.400 -13.578 1.00 0.00 N ATOM 0 H LYS A 50 4.278 -0.982 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 50 2.540 0.921 -7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.576 -0.081 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.757 -1.627 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.114 -0.706 -10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.808 0.895 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.972 0.060 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.300 -1.552 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.627 -0.743 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.218 0.897 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.136 -0.155 -14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.375 0.184 -13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.803 -1.405 -13.571 1.00 0.00 H new ATOM 746 N LEU A 51 1.284 -2.080 -7.127 1.00 0.00 N ATOM 747 CA LEU A 51 0.038 -2.829 -7.161 1.00 0.00 C ATOM 748 C LEU A 51 -0.876 -2.434 -6.008 1.00 0.00 C ATOM 749 O LEU A 51 -2.095 -2.567 -6.110 1.00 0.00 O ATOM 750 CB LEU A 51 0.304 -4.332 -7.154 1.00 0.00 C ATOM 751 CG LEU A 51 0.932 -4.872 -8.440 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.156 -6.367 -8.336 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.053 -4.548 -9.639 1.00 0.00 C ATOM 0 H LEU A 51 2.073 -2.585 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.473 -2.580 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.961 -4.568 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.637 -4.854 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 51 1.899 -4.388 -8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.603 -6.733 -9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.824 -6.578 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.202 -6.867 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.515 -4.940 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.928 -5.005 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.059 -3.467 -9.727 1.00 0.00 H new ATOM 765 N ILE A 52 -0.296 -1.968 -4.904 1.00 0.00 N ATOM 766 CA ILE A 52 -1.085 -1.345 -3.851 1.00 0.00 C ATOM 767 C ILE A 52 -1.765 -0.091 -4.385 1.00 0.00 C ATOM 768 O ILE A 52 -2.946 0.137 -4.149 1.00 0.00 O ATOM 769 CB ILE A 52 -0.226 -0.952 -2.638 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.474 -2.169 -2.056 1.00 0.00 C ATOM 771 CG2 ILE A 52 -1.092 -0.289 -1.578 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.486 -1.807 -1.000 1.00 0.00 C ATOM 0 H ILE A 52 0.706 -2.010 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.823 -2.080 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 52 0.535 -0.245 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.270 -2.840 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.971 -2.715 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.474 -0.014 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.555 0.606 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.869 -0.983 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.955 -2.714 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.248 -1.159 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.988 -1.285 -0.183 1.00 0.00 H new ATOM 784 N TYR A 53 -1.004 0.714 -5.111 1.00 0.00 N ATOM 785 CA TYR A 53 -1.522 1.935 -5.714 1.00 0.00 C ATOM 786 C TYR A 53 -2.644 1.594 -6.695 1.00 0.00 C ATOM 787 O TYR A 53 -3.671 2.273 -6.754 1.00 0.00 O ATOM 788 CB TYR A 53 -0.386 2.676 -6.419 1.00 0.00 C ATOM 789 CG TYR A 53 -0.687 4.123 -6.739 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.797 5.071 -5.727 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.837 4.545 -8.055 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.051 6.395 -6.019 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.086 5.871 -8.354 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.191 6.791 -7.332 1.00 0.00 C ATOM 795 OH TYR A 53 -1.422 8.118 -7.619 1.00 0.00 O ATOM 0 H TYR A 53 -0.016 0.542 -5.299 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.932 2.583 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.504 2.633 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.148 2.154 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.682 4.766 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.758 3.825 -8.856 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.140 7.119 -5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.198 6.185 -9.381 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.496 8.235 -8.589 1.00 0.00 H new ATOM 805 N ASP A 54 -2.433 0.523 -7.451 1.00 0.00 N ATOM 806 CA ASP A 54 -3.458 -0.030 -8.334 1.00 0.00 C ATOM 807 C ASP A 54 -4.683 -0.453 -7.523 1.00 0.00 C ATOM 808 O ASP A 54 -5.819 -0.142 -7.879 1.00 0.00 O ATOM 809 CB ASP A 54 -2.879 -1.232 -9.093 1.00 0.00 C ATOM 810 CG ASP A 54 -3.927 -2.041 -9.834 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.204 -1.731 -11.011 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.455 -3.013 -9.250 1.00 0.00 O ATOM 0 H ASP A 54 -1.550 0.013 -7.471 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.768 0.732 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.134 -0.877 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.361 -1.882 -8.388 1.00 0.00 H new ATOM 817 N PHE A 55 -4.422 -1.158 -6.428 1.00 0.00 N ATOM 818 CA PHE A 55 -5.458 -1.588 -5.490 1.00 0.00 C ATOM 819 C PHE A 55 -6.306 -0.417 -5.020 1.00 0.00 C ATOM 820 O PHE A 55 -7.532 -0.471 -5.035 1.00 0.00 O ATOM 821 CB PHE A 55 -4.793 -2.247 -4.282 1.00 0.00 C ATOM 822 CG PHE A 55 -5.706 -2.471 -3.113 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.556 -3.558 -3.096 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.705 -1.602 -2.021 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.388 -3.784 -2.024 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.544 -1.827 -0.946 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.386 -2.922 -0.948 1.00 0.00 C ATOM 0 H PHE A 55 -3.481 -1.450 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.112 -2.295 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.377 -3.206 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.957 -1.626 -3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.568 -4.239 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.044 -0.748 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.046 -4.641 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.541 -1.148 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.041 -3.102 -0.109 1.00 0.00 H new ATOM 837 N ILE A 56 -5.633 0.631 -4.596 1.00 0.00 N ATOM 838 CA ILE A 56 -6.281 1.791 -4.020 1.00 0.00 C ATOM 839 C ILE A 56 -7.263 2.436 -5.001 1.00 0.00 C ATOM 840 O ILE A 56 -8.366 2.821 -4.613 1.00 0.00 O ATOM 841 CB ILE A 56 -5.222 2.800 -3.544 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.385 2.160 -2.438 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.870 4.077 -3.050 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.193 2.978 -2.011 1.00 0.00 C ATOM 0 H ILE A 56 -4.617 0.703 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.865 1.465 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.578 3.063 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.022 1.987 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.038 1.184 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.098 4.772 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.445 4.530 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.534 3.849 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.654 2.452 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.532 3.130 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.530 3.945 -1.637 1.00 0.00 H new ATOM 856 N GLU A 57 -6.883 2.517 -6.272 1.00 0.00 N ATOM 857 CA GLU A 57 -7.763 3.082 -7.293 1.00 0.00 C ATOM 858 C GLU A 57 -8.976 2.170 -7.494 1.00 0.00 C ATOM 859 O GLU A 57 -10.096 2.644 -7.673 1.00 0.00 O ATOM 860 CB GLU A 57 -7.004 3.261 -8.613 1.00 0.00 C ATOM 861 CG GLU A 57 -7.456 4.461 -9.444 1.00 0.00 C ATOM 862 CD GLU A 57 -8.817 4.293 -10.102 1.00 0.00 C ATOM 863 OE1 GLU A 57 -9.108 3.194 -10.619 1.00 0.00 O ATOM 864 OE2 GLU A 57 -9.596 5.272 -10.124 1.00 0.00 O ATOM 0 H GLU A 57 -5.978 2.201 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.108 4.061 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.941 3.365 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.120 2.357 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.482 5.342 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.713 4.652 -10.218 1.00 0.00 H new ATOM 871 N ASP A 58 -8.740 0.857 -7.437 1.00 0.00 N ATOM 872 CA ASP A 58 -9.814 -0.139 -7.547 1.00 0.00 C ATOM 873 C ASP A 58 -10.885 0.114 -6.495 1.00 0.00 C ATOM 874 O ASP A 58 -12.083 0.003 -6.762 1.00 0.00 O ATOM 875 CB ASP A 58 -9.254 -1.548 -7.357 1.00 0.00 C ATOM 876 CG ASP A 58 -10.275 -2.644 -7.617 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.417 -3.068 -8.786 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.920 -3.109 -6.654 1.00 0.00 O ATOM 0 H ASP A 58 -7.810 0.455 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.254 -0.052 -8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.405 -1.687 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.877 -1.647 -6.339 1.00 0.00 H new ATOM 883 N GLN A 59 -10.437 0.474 -5.301 1.00 0.00 N ATOM 884 CA GLN A 59 -11.331 0.686 -4.172 1.00 0.00 C ATOM 885 C GLN A 59 -11.996 2.064 -4.239 1.00 0.00 C ATOM 886 O GLN A 59 -13.018 2.295 -3.593 1.00 0.00 O ATOM 887 CB GLN A 59 -10.567 0.531 -2.852 1.00 0.00 C ATOM 888 CG GLN A 59 -9.719 -0.737 -2.779 1.00 0.00 C ATOM 889 CD GLN A 59 -10.511 -2.010 -3.018 1.00 0.00 C ATOM 890 OE1 GLN A 59 -9.996 -2.987 -3.565 1.00 0.00 O ATOM 891 NE2 GLN A 59 -11.755 -2.031 -2.584 1.00 0.00 N ATOM 0 H GLN A 59 -9.451 0.626 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.116 -0.069 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.921 1.398 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.280 0.529 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.919 -0.672 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.245 -0.792 -1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.153 -1.206 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.320 -2.872 -2.697 1.00 0.00 H new ATOM 900 N GLY A 60 -11.423 2.968 -5.028 1.00 0.00 N ATOM 901 CA GLY A 60 -11.993 4.300 -5.169 1.00 0.00 C ATOM 902 C GLY A 60 -11.054 5.408 -4.720 1.00 0.00 C ATOM 903 O GLY A 60 -11.429 6.584 -4.711 1.00 0.00 O ATOM 0 H GLY A 60 -10.576 2.804 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.263 4.463 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.914 4.357 -4.589 1.00 0.00 H new ATOM 907 N GLY A 61 -9.836 5.046 -4.353 1.00 0.00 N ATOM 908 CA GLY A 61 -8.866 6.034 -3.928 1.00 0.00 C ATOM 909 C GLY A 61 -8.545 5.926 -2.450 1.00 0.00 C ATOM 910 O GLY A 61 -9.114 5.086 -1.748 1.00 0.00 O ATOM 0 H GLY A 61 -9.500 4.083 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.950 5.913 -4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.249 7.032 -4.143 1.00 0.00 H new ATOM 914 N LEU A 62 -7.634 6.773 -1.974 1.00 0.00 N ATOM 915 CA LEU A 62 -7.179 6.727 -0.584 1.00 0.00 C ATOM 916 C LEU A 62 -8.345 6.924 0.375 1.00 0.00 C ATOM 917 O LEU A 62 -8.454 6.244 1.396 1.00 0.00 O ATOM 918 CB LEU A 62 -6.138 7.817 -0.323 1.00 0.00 C ATOM 919 CG LEU A 62 -4.901 7.792 -1.220 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.984 8.946 -0.859 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.161 6.468 -1.094 1.00 0.00 C ATOM 0 H LEU A 62 -7.194 7.504 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.734 5.746 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.622 8.787 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.812 7.739 0.714 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.222 7.898 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.103 8.925 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.513 9.889 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.677 8.854 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.285 6.477 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.845 6.324 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.822 5.652 -1.388 1.00 0.00 H new ATOM 933 N GLU A 63 -9.220 7.852 0.017 1.00 0.00 N ATOM 934 CA GLU A 63 -10.349 8.226 0.853 1.00 0.00 C ATOM 935 C GLU A 63 -11.302 7.051 1.021 1.00 0.00 C ATOM 936 O GLU A 63 -11.971 6.924 2.044 1.00 0.00 O ATOM 937 CB GLU A 63 -11.101 9.417 0.244 1.00 0.00 C ATOM 938 CG GLU A 63 -10.232 10.636 -0.033 1.00 0.00 C ATOM 939 CD GLU A 63 -9.325 10.459 -1.241 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.627 9.596 -2.097 1.00 0.00 O ATOM 941 OE2 GLU A 63 -8.309 11.171 -1.339 1.00 0.00 O ATOM 0 H GLU A 63 -9.166 8.367 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.964 8.513 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.566 9.098 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.906 9.706 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.873 11.503 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.621 10.847 0.845 1.00 0.00 H new ATOM 948 N ALA A 64 -11.341 6.187 0.018 1.00 0.00 N ATOM 949 CA ALA A 64 -12.243 5.048 0.029 1.00 0.00 C ATOM 950 C ALA A 64 -11.772 3.977 1.001 1.00 0.00 C ATOM 951 O ALA A 64 -12.557 3.484 1.807 1.00 0.00 O ATOM 952 CB ALA A 64 -12.386 4.473 -1.367 1.00 0.00 C ATOM 0 H ALA A 64 -10.757 6.254 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.219 5.397 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.065 3.621 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.786 5.236 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.410 4.149 -1.729 1.00 0.00 H new ATOM 958 N VAL A 65 -10.485 3.635 0.949 1.00 0.00 N ATOM 959 CA VAL A 65 -9.964 2.560 1.790 1.00 0.00 C ATOM 960 C VAL A 65 -10.016 2.967 3.262 1.00 0.00 C ATOM 961 O VAL A 65 -10.112 2.121 4.154 1.00 0.00 O ATOM 962 CB VAL A 65 -8.524 2.136 1.392 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.345 2.158 -0.119 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.466 2.990 2.073 1.00 0.00 C ATOM 0 H VAL A 65 -9.794 4.079 0.344 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.603 1.691 1.634 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.387 1.112 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.328 1.857 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.052 1.467 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.527 3.166 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.475 2.657 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.603 4.033 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.561 2.893 3.155 1.00 0.00 H new ATOM 974 N ARG A 66 -9.978 4.278 3.500 1.00 0.00 N ATOM 975 CA ARG A 66 -10.160 4.826 4.837 1.00 0.00 C ATOM 976 C ARG A 66 -11.548 4.480 5.360 1.00 0.00 C ATOM 977 O ARG A 66 -11.731 4.194 6.543 1.00 0.00 O ATOM 978 CB ARG A 66 -9.984 6.345 4.818 1.00 0.00 C ATOM 979 CG ARG A 66 -8.556 6.796 4.579 1.00 0.00 C ATOM 980 CD ARG A 66 -8.469 8.309 4.456 1.00 0.00 C ATOM 981 NE ARG A 66 -7.088 8.777 4.471 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.707 10.019 4.185 1.00 0.00 C ATOM 983 NH1 ARG A 66 -7.595 10.921 3.778 1.00 0.00 N ATOM 984 NH2 ARG A 66 -5.431 10.352 4.311 1.00 0.00 N ATOM 0 H ARG A 66 -9.822 4.981 2.777 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.408 4.389 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.622 6.765 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.329 6.753 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.923 6.459 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.173 6.332 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.950 8.626 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.018 8.772 5.276 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.362 8.104 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.577 10.663 3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.294 11.871 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.752 9.659 4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.128 11.302 4.094 1.00 0.00 H new ATOM 998 N GLN A 67 -12.517 4.491 4.458 1.00 0.00 N ATOM 999 CA GLN A 67 -13.892 4.182 4.802 1.00 0.00 C ATOM 1000 C GLN A 67 -14.048 2.688 5.016 1.00 0.00 C ATOM 1001 O GLN A 67 -14.725 2.256 5.942 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.843 4.625 3.691 1.00 0.00 C ATOM 1003 CG GLN A 67 -14.759 6.097 3.335 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.759 6.479 2.260 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.128 5.658 1.420 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -16.207 7.722 2.278 1.00 0.00 N ATOM 0 H GLN A 67 -12.372 4.713 3.473 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.140 4.718 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.635 4.037 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.865 4.396 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.939 6.697 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.751 6.330 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.877 8.373 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.883 8.031 1.579 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.396 1.912 4.149 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.515 0.452 4.144 1.00 0.00 C ATOM 1017 C GLU A 68 -13.136 -0.144 5.489 1.00 0.00 C ATOM 1018 O GLU A 68 -13.641 -1.199 5.861 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.638 -0.140 3.047 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.841 0.548 1.717 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.551 -0.302 0.689 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.721 -0.668 0.919 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -12.952 -0.588 -0.369 1.00 0.00 O ATOM 0 H GLU A 68 -12.771 2.277 3.431 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.558 0.203 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.591 -0.060 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.859 -1.202 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.413 1.462 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.870 0.844 1.321 1.00 0.00 H new ATOM 1030 N MET A 69 -12.260 0.545 6.213 1.00 0.00 N ATOM 1031 CA MET A 69 -11.880 0.126 7.565 1.00 0.00 C ATOM 1032 C MET A 69 -13.112 -0.046 8.448 1.00 0.00 C ATOM 1033 O MET A 69 -13.170 -0.936 9.296 1.00 0.00 O ATOM 1034 CB MET A 69 -10.930 1.136 8.203 1.00 0.00 C ATOM 1035 CG MET A 69 -9.493 0.961 7.760 1.00 0.00 C ATOM 1036 SD MET A 69 -8.343 1.938 8.739 1.00 0.00 S ATOM 1037 CE MET A 69 -6.806 1.164 8.259 1.00 0.00 C ATOM 0 H MET A 69 -11.798 1.395 5.890 1.00 0.00 H new ATOM 0 HA MET A 69 -11.369 -0.833 7.480 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.261 2.144 7.954 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.984 1.042 9.288 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.221 -0.092 7.830 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.403 1.244 6.711 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.459 0.514 9.063 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.963 0.573 7.357 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.057 1.932 8.064 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.092 0.822 8.238 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.348 0.781 8.962 1.00 0.00 C ATOM 1049 C ARG A 70 -16.516 0.645 7.986 1.00 0.00 C ATOM 1050 O ARG A 70 -17.635 1.083 8.260 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.482 2.047 9.797 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.310 3.332 9.001 1.00 0.00 C ATOM 1053 CD ARG A 70 -15.362 4.553 9.902 1.00 0.00 C ATOM 1054 NE ARG A 70 -14.487 4.414 11.064 1.00 0.00 N ATOM 1055 CZ ARG A 70 -14.248 5.386 11.942 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -14.748 6.601 11.753 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -13.489 5.139 12.997 1.00 0.00 N ATOM 0 H ARG A 70 -14.034 1.578 7.556 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.363 -0.085 9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.463 2.054 10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.740 2.024 10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.358 3.309 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.093 3.402 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.071 5.436 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.387 4.713 10.237 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.030 3.514 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.320 6.795 10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.561 7.341 12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.092 4.209 13.133 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.301 5.878 13.674 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.356 -3.735 3.440 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.259 -3.548 2.491 1.00 0.00 C ATOM 1205 C VAL B 79 -8.065 -4.452 2.795 1.00 0.00 C ATOM 1206 O VAL B 79 -7.415 -4.937 1.880 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.752 -2.093 2.477 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.291 -1.309 1.295 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.096 -1.372 3.765 1.00 0.00 C ATOM 0 HA VAL B 79 -9.677 -3.809 1.519 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.668 -2.150 2.382 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.906 -0.290 1.328 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.975 -1.786 0.367 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.380 -1.287 1.339 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.723 -0.349 3.720 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -10.178 -1.359 3.897 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.635 -1.889 4.606 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.791 -4.679 4.079 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.621 -5.448 4.504 1.00 0.00 C ATOM 1221 C ALA B 80 -6.464 -6.771 3.733 1.00 0.00 C ATOM 1222 O ALA B 80 -5.479 -6.958 3.020 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.677 -5.689 6.002 1.00 0.00 C ATOM 0 H ALA B 80 -8.368 -4.339 4.848 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.737 -4.855 4.269 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.803 -6.262 6.311 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.687 -4.732 6.524 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.581 -6.246 6.247 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.432 -7.681 3.850 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.342 -8.970 3.156 1.00 0.00 C ATOM 1231 C GLN B 81 -7.554 -8.796 1.657 1.00 0.00 C ATOM 1232 O GLN B 81 -6.962 -9.509 0.847 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.372 -9.951 3.703 1.00 0.00 C ATOM 1234 CG GLN B 81 -7.776 -11.262 4.188 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.183 -12.108 3.073 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -7.890 -12.877 2.425 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -5.880 -12.007 2.874 1.00 0.00 N ATOM 0 H GLN B 81 -8.276 -7.555 4.409 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.342 -9.368 3.329 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.907 -9.479 4.527 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.107 -10.162 2.926 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.000 -11.049 4.924 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -8.549 -11.837 4.698 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -5.328 -11.357 3.433 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -5.427 -12.579 2.162 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.404 -7.841 1.304 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.676 -7.510 -0.090 1.00 0.00 C ATOM 1248 C ARG B 82 -7.379 -7.109 -0.799 1.00 0.00 C ATOM 1249 O ARG B 82 -7.171 -7.401 -1.981 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.720 -6.383 -0.131 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.833 -5.674 -1.463 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.406 -6.552 -2.561 1.00 0.00 C ATOM 1253 NE ARG B 82 -10.488 -5.833 -3.834 1.00 0.00 N ATOM 1254 CZ ARG B 82 -10.267 -6.389 -5.026 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -9.915 -7.669 -5.113 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -10.381 -5.663 -6.131 1.00 0.00 N ATOM 0 H ARG B 82 -8.924 -7.274 1.974 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.076 -8.377 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.694 -6.799 0.128 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.473 -5.649 0.636 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.463 -4.792 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.846 -5.323 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.783 -7.438 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.399 -6.897 -2.272 1.00 0.00 H new ATOM 0 HE ARG B 82 -10.730 -4.842 -3.807 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -9.813 -8.229 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -9.747 -8.091 -6.026 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -10.638 -4.678 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -10.212 -6.090 -7.042 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.499 -6.480 -0.041 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.209 -6.030 -0.544 1.00 0.00 C ATOM 1272 C LEU B 83 -4.193 -7.166 -0.539 1.00 0.00 C ATOM 1273 O LEU B 83 -3.471 -7.348 -1.518 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.708 -4.852 0.298 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.303 -4.342 -0.025 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.165 -4.005 -1.501 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.992 -3.119 0.816 1.00 0.00 C ATOM 0 H LEU B 83 -6.657 -6.265 0.944 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.333 -5.702 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.408 -4.025 0.181 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -4.733 -5.145 1.347 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.592 -5.135 0.209 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.155 -3.645 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.356 -4.897 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -3.885 -3.231 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -1.990 -2.761 0.581 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.717 -2.335 0.600 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.045 -3.381 1.873 1.00 0.00 H new ATOM 1289 N MET B 84 -4.152 -7.934 0.553 1.00 0.00 N ATOM 1290 CA MET B 84 -3.209 -9.053 0.689 1.00 0.00 C ATOM 1291 C MET B 84 -3.195 -9.918 -0.564 1.00 0.00 C ATOM 1292 O MET B 84 -2.145 -10.158 -1.164 1.00 0.00 O ATOM 1293 CB MET B 84 -3.579 -9.944 1.878 1.00 0.00 C ATOM 1294 CG MET B 84 -3.497 -9.268 3.233 1.00 0.00 C ATOM 1295 SD MET B 84 -3.947 -10.386 4.578 1.00 0.00 S ATOM 1296 CE MET B 84 -3.769 -9.307 5.994 1.00 0.00 C ATOM 0 H MET B 84 -4.762 -7.802 1.360 1.00 0.00 H new ATOM 0 HA MET B 84 -2.223 -8.615 0.846 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.594 -10.314 1.734 1.00 0.00 H new ATOM 0 HB3 MET B 84 -2.920 -10.813 1.881 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.484 -8.899 3.393 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.158 -8.401 3.246 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.962 -9.870 6.907 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.755 -8.907 6.021 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.481 -8.486 5.917 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.377 -10.366 -0.963 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.507 -11.275 -2.089 1.00 0.00 C ATOM 1308 C GLN B 85 -4.233 -10.554 -3.401 1.00 0.00 C ATOM 1309 O GLN B 85 -3.785 -11.162 -4.369 1.00 0.00 O ATOM 1310 CB GLN B 85 -5.904 -11.894 -2.110 1.00 0.00 C ATOM 1311 CG GLN B 85 -6.308 -12.531 -0.787 1.00 0.00 C ATOM 1312 CD GLN B 85 -5.442 -13.719 -0.393 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -4.269 -13.812 -0.756 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -6.016 -14.631 0.371 1.00 0.00 N ATOM 0 H GLN B 85 -5.261 -10.113 -0.521 1.00 0.00 H new ATOM 0 HA GLN B 85 -3.769 -12.069 -1.974 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.630 -11.123 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -5.946 -12.649 -2.895 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.257 -11.778 -0.000 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -7.347 -12.855 -0.851 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -6.990 -14.521 0.652 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -5.485 -15.445 0.680 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.475 -9.245 -3.420 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.283 -8.453 -4.630 1.00 0.00 C ATOM 1325 C HIS B 86 -2.799 -8.334 -4.988 1.00 0.00 C ATOM 1326 O HIS B 86 -2.452 -7.994 -6.120 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.913 -7.064 -4.485 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.969 -6.303 -5.775 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.763 -6.684 -6.836 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.315 -5.185 -6.180 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.598 -5.835 -7.833 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.727 -4.917 -7.462 1.00 0.00 N ATOM 0 H HIS B 86 -4.803 -8.713 -2.614 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.786 -8.974 -5.445 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.923 -7.170 -4.089 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.343 -6.488 -3.756 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.604 -4.613 -5.602 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.093 -5.884 -8.792 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.411 -4.135 -8.035 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.922 -8.602 -4.030 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.499 -8.696 -4.330 1.00 0.00 C ATOM 1343 C LEU B 87 -0.166 -10.099 -4.831 1.00 0.00 C ATOM 1344 O LEU B 87 0.503 -10.271 -5.854 1.00 0.00 O ATOM 1345 CB LEU B 87 0.378 -8.370 -3.108 1.00 0.00 C ATOM 1346 CG LEU B 87 0.534 -6.886 -2.751 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.649 -6.022 -3.996 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.605 -6.413 -1.873 1.00 0.00 C ATOM 0 H LEU B 87 -2.165 -8.756 -3.052 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.282 -7.957 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.037 -8.887 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.371 -8.785 -3.281 1.00 0.00 H new ATOM 0 HG LEU B 87 1.462 -6.783 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.758 -4.977 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU B 87 1.520 -6.331 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.249 -6.138 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.468 -5.358 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.550 -6.547 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.618 -6.993 -0.950 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.677 -11.096 -4.120 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.356 -12.493 -4.396 1.00 0.00 C ATOM 1362 C ALA B 88 -0.971 -12.982 -5.707 1.00 0.00 C ATOM 1363 O ALA B 88 -0.563 -14.015 -6.238 1.00 0.00 O ATOM 1364 CB ALA B 88 -0.819 -13.371 -3.243 1.00 0.00 C ATOM 0 H ALA B 88 -1.321 -10.962 -3.341 1.00 0.00 H new ATOM 0 HA ALA B 88 0.727 -12.563 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -0.575 -14.412 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.317 -13.062 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -1.897 -13.269 -3.118 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.951 -12.248 -6.220 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.601 -12.607 -7.476 1.00 0.00 C ATOM 1372 C GLU B 89 -1.750 -12.217 -8.683 1.00 0.00 C ATOM 1373 O GLU B 89 -2.092 -12.539 -9.819 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.969 -11.936 -7.586 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.908 -10.417 -7.546 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.192 -9.746 -7.994 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -6.237 -9.933 -7.339 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.150 -9.003 -8.996 1.00 0.00 O ATOM 0 H GLU B 89 -2.314 -11.399 -5.786 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.724 -13.690 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.443 -12.248 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.603 -12.287 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.676 -10.098 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -3.090 -10.078 -8.181 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.644 -11.524 -8.440 1.00 0.00 N ATOM 1386 CA HIS B 90 0.201 -11.053 -9.536 1.00 0.00 C ATOM 1387 C HIS B 90 1.596 -11.668 -9.495 1.00 0.00 C ATOM 1388 O HIS B 90 1.927 -12.535 -10.301 1.00 0.00 O ATOM 1389 CB HIS B 90 0.316 -9.525 -9.525 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.944 -8.818 -9.922 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.964 -8.346 -9.174 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -1.269 -8.532 -11.225 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.887 -7.798 -10.028 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -2.437 -7.922 -11.263 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.312 -11.277 -7.508 1.00 0.00 H new ATOM 0 HA HIS B 90 -0.284 -11.373 -10.458 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.604 -9.199 -8.525 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.117 -9.226 -10.201 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -2.035 -8.389 -8.157 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.662 -8.770 -12.086 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.823 -7.343 -9.739 1.00 0.00 H new ATOM 1403 N GLY B 91 2.406 -11.213 -8.552 1.00 0.00 N ATOM 1404 CA GLY B 91 3.796 -11.625 -8.492 1.00 0.00 C ATOM 1405 C GLY B 91 4.604 -10.658 -7.657 1.00 0.00 C ATOM 1406 O GLY B 91 5.469 -9.946 -8.167 1.00 0.00 O ATOM 0 H GLY B 91 2.124 -10.560 -7.821 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.866 -12.626 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.209 -11.677 -9.499 1.00 0.00 H new ATOM 1410 N ILE B 92 4.293 -10.627 -6.375 1.00 0.00 N ATOM 1411 CA ILE B 92 4.865 -9.661 -5.449 1.00 0.00 C ATOM 1412 C ILE B 92 5.864 -10.314 -4.501 1.00 0.00 C ATOM 1413 O ILE B 92 5.660 -11.444 -4.055 1.00 0.00 O ATOM 1414 CB ILE B 92 3.732 -8.996 -4.641 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.905 -8.115 -5.570 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.269 -8.190 -3.469 1.00 0.00 C ATOM 1417 CD1 ILE B 92 3.735 -7.140 -6.368 1.00 0.00 C ATOM 0 H ILE B 92 3.633 -11.273 -5.942 1.00 0.00 H new ATOM 0 HA ILE B 92 5.402 -8.910 -6.028 1.00 0.00 H new ATOM 0 HB ILE B 92 3.101 -9.780 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.344 -8.750 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE B 92 2.175 -7.561 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.438 -7.739 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.825 -8.847 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.930 -7.406 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE B 92 3.083 -6.545 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE B 92 4.276 -6.481 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE B 92 4.447 -7.688 -6.985 1.00 0.00 H new ATOM 1429 N GLN B 93 6.943 -9.599 -4.197 1.00 0.00 N ATOM 1430 CA GLN B 93 7.929 -10.086 -3.243 1.00 0.00 C ATOM 1431 C GLN B 93 7.653 -9.522 -1.857 1.00 0.00 C ATOM 1432 O GLN B 93 7.483 -8.314 -1.691 1.00 0.00 O ATOM 1433 CB GLN B 93 9.358 -9.718 -3.660 1.00 0.00 C ATOM 1434 CG GLN B 93 9.887 -10.499 -4.852 1.00 0.00 C ATOM 1435 CD GLN B 93 9.497 -9.893 -6.184 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.397 -8.575 -6.229 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 9.319 -10.606 -7.172 1.00 0.00 N flip ATOM 0 H GLN B 93 7.155 -8.685 -4.596 1.00 0.00 H new ATOM 0 HA GLN B 93 7.845 -11.173 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.392 -8.654 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN B 93 10.023 -9.879 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.974 -10.553 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.514 -11.522 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.406 -11.619 -7.092 1.00 0.00 H new ATOM 0 HE22 GLN B 93 9.084 -10.183 -8.070 1.00 0.00 H new