USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 789 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 41 SER OG : rot 148:sc= 1.28 USER MOD Set 1.2: A 102 CYS SG : rot 180:sc= 1.11 USER MOD Single : A 19 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.49) USER MOD Single : A 21 TYR OH : rot -59:sc= 0.937 USER MOD Single : A 26 ASN : amide:sc= -6.67! C(o=-6.7!,f=-9.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -172:sc= 0.409 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -122:sc= 0 (180deg=-0.853) USER MOD Single : A 60 MET CE :methyl -113:sc= -1.32 (180deg=-5.71!) USER MOD Single : A 61 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.083) USER MOD Single : A 62 ASN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 67 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.45) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.64) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= -0.637! (180deg=-1.74!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.453 K(o=0.45,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.0095) USER MOD Single : A 80 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.98) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -173:sc= 0 (180deg=-0.106) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.199 K(o=-0.2,f=-3.1!) USER MOD Single : A 116 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.6!) USER MOD Single : A 122 GLN : amide:sc= -0.491 K(o=-0.49,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 8.730 15.398 1.310 1.00 0.00 N ATOM 221 CA GLN A 19 9.622 14.250 1.410 1.00 0.00 C ATOM 222 C GLN A 19 8.877 12.954 1.107 1.00 0.00 C ATOM 223 O GLN A 19 9.390 12.079 0.408 1.00 0.00 O ATOM 224 CB GLN A 19 10.245 14.180 2.805 1.00 0.00 C ATOM 225 CG GLN A 19 11.393 15.156 3.008 1.00 0.00 C ATOM 226 CD GLN A 19 12.551 14.900 2.064 1.00 0.00 C ATOM 227 OE1 GLN A 19 12.919 13.752 1.812 1.00 0.00 O ATOM 228 NE2 GLN A 19 13.133 15.970 1.536 1.00 0.00 N ATOM 0 HA GLN A 19 10.415 14.373 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.474 14.379 3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.605 13.167 2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.030 16.173 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.746 15.087 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.795 16.903 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.918 15.859 0.894 1.00 0.00 H new ATOM 237 N LEU A 20 7.665 12.837 1.638 1.00 0.00 N ATOM 238 CA LEU A 20 6.849 11.647 1.426 1.00 0.00 C ATOM 239 C LEU A 20 6.418 11.535 -0.033 1.00 0.00 C ATOM 240 O LEU A 20 6.245 10.435 -0.558 1.00 0.00 O ATOM 241 CB LEU A 20 5.616 11.681 2.332 1.00 0.00 C ATOM 242 CG LEU A 20 4.416 10.858 1.864 1.00 0.00 C ATOM 243 CD1 LEU A 20 4.658 9.376 2.105 1.00 0.00 C ATOM 244 CD2 LEU A 20 3.148 11.315 2.570 1.00 0.00 C ATOM 0 H LEU A 20 7.226 13.552 2.218 1.00 0.00 H new ATOM 0 HA LEU A 20 7.452 10.774 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.908 11.330 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.299 12.718 2.442 1.00 0.00 H new ATOM 0 HG LEU A 20 4.288 11.014 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.793 8.806 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.542 9.057 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.813 9.201 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.304 10.718 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.265 11.189 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.965 12.366 2.346 1.00 0.00 H new ATOM 256 N TYR A 21 6.249 12.681 -0.684 1.00 0.00 N ATOM 257 CA TYR A 21 5.839 12.712 -2.083 1.00 0.00 C ATOM 258 C TYR A 21 6.962 12.221 -2.991 1.00 0.00 C ATOM 259 O TYR A 21 6.715 11.729 -4.093 1.00 0.00 O ATOM 260 CB TYR A 21 5.427 14.130 -2.484 1.00 0.00 C ATOM 261 CG TYR A 21 3.992 14.463 -2.142 1.00 0.00 C ATOM 262 CD1 TYR A 21 3.591 14.624 -0.821 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.037 14.614 -3.140 1.00 0.00 C ATOM 264 CE1 TYR A 21 2.282 14.928 -0.504 1.00 0.00 C ATOM 265 CE2 TYR A 21 1.725 14.919 -2.832 1.00 0.00 C ATOM 266 CZ TYR A 21 1.352 15.075 -1.513 1.00 0.00 C ATOM 267 OH TYR A 21 0.046 15.377 -1.203 1.00 0.00 O ATOM 0 H TYR A 21 6.390 13.600 -0.265 1.00 0.00 H new ATOM 0 HA TYR A 21 4.984 12.045 -2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.085 14.844 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.574 14.252 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.316 14.509 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.325 14.491 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.988 15.050 0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.995 15.035 -3.620 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.322 14.680 -0.621 1.00 0.00 H new ATOM 277 N LEU A 22 8.197 12.357 -2.520 1.00 0.00 N ATOM 278 CA LEU A 22 9.360 11.927 -3.288 1.00 0.00 C ATOM 279 C LEU A 22 9.580 10.424 -3.148 1.00 0.00 C ATOM 280 O LEU A 22 9.803 9.725 -4.137 1.00 0.00 O ATOM 281 CB LEU A 22 10.608 12.681 -2.826 1.00 0.00 C ATOM 282 CG LEU A 22 10.687 14.156 -3.223 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.930 14.802 -2.632 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.676 14.302 -4.738 1.00 0.00 C ATOM 0 H LEU A 22 8.419 12.762 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 22 9.174 12.152 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.667 12.614 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.485 12.171 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 22 9.812 14.668 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.969 15.851 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.896 14.730 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.818 14.289 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.733 15.358 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.532 13.776 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.755 13.877 -5.138 1.00 0.00 H new ATOM 296 N TRP A 23 9.512 9.934 -1.916 1.00 0.00 N ATOM 297 CA TRP A 23 9.702 8.513 -1.647 1.00 0.00 C ATOM 298 C TRP A 23 8.872 7.663 -2.603 1.00 0.00 C ATOM 299 O TRP A 23 9.356 6.669 -3.144 1.00 0.00 O ATOM 300 CB TRP A 23 9.323 8.192 -0.201 1.00 0.00 C ATOM 301 CG TRP A 23 9.061 6.735 0.035 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.992 5.745 0.165 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.782 6.105 0.168 1.00 0.00 C ATOM 304 NE1 TRP A 23 9.369 4.537 0.369 1.00 0.00 N ATOM 305 CE2 TRP A 23 8.013 4.732 0.377 1.00 0.00 C ATOM 306 CE3 TRP A 23 6.464 6.568 0.133 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.975 3.820 0.548 1.00 0.00 C ATOM 308 CZ3 TRP A 23 5.435 5.662 0.302 1.00 0.00 C ATOM 309 CH2 TRP A 23 5.695 4.300 0.509 1.00 0.00 C ATOM 0 H TRP A 23 9.327 10.499 -1.087 1.00 0.00 H new ATOM 0 HA TRP A 23 10.755 8.277 -1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.126 8.521 0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.434 8.762 0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.061 5.890 0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.840 3.641 0.494 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.254 7.616 -0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.174 2.770 0.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.413 6.009 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.869 3.617 0.640 1.00 0.00 H new ATOM 320 N VAL A 24 7.621 8.061 -2.808 1.00 0.00 N ATOM 321 CA VAL A 24 6.724 7.335 -3.701 1.00 0.00 C ATOM 322 C VAL A 24 7.300 7.255 -5.110 1.00 0.00 C ATOM 323 O VAL A 24 6.998 6.328 -5.862 1.00 0.00 O ATOM 324 CB VAL A 24 5.336 7.999 -3.762 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.395 7.187 -4.639 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.763 8.165 -2.363 1.00 0.00 C ATOM 0 H VAL A 24 7.205 8.882 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 24 6.619 6.328 -3.297 1.00 0.00 H new ATOM 0 HB VAL A 24 5.445 8.989 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.419 7.671 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.802 7.124 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.289 6.183 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.782 8.636 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.667 7.187 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.429 8.791 -1.769 1.00 0.00 H new ATOM 336 N ASP A 25 8.129 8.231 -5.461 1.00 0.00 N ATOM 337 CA ASP A 25 8.749 8.270 -6.781 1.00 0.00 C ATOM 338 C ASP A 25 9.818 7.190 -6.911 1.00 0.00 C ATOM 339 O ASP A 25 9.865 6.465 -7.904 1.00 0.00 O ATOM 340 CB ASP A 25 9.363 9.647 -7.039 1.00 0.00 C ATOM 341 CG ASP A 25 9.652 9.886 -8.508 1.00 0.00 C ATOM 342 OD1 ASP A 25 8.778 9.574 -9.342 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.754 10.383 -8.822 1.00 0.00 O ATOM 0 H ASP A 25 8.388 9.006 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 25 7.975 8.081 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.684 10.418 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.288 9.742 -6.470 1.00 0.00 H new ATOM 348 N ASN A 26 10.677 7.089 -5.901 1.00 0.00 N ATOM 349 CA ASN A 26 11.747 6.098 -5.904 1.00 0.00 C ATOM 350 C ASN A 26 11.194 4.701 -6.167 1.00 0.00 C ATOM 351 O ASN A 26 11.763 3.933 -6.943 1.00 0.00 O ATOM 352 CB ASN A 26 12.494 6.120 -4.569 1.00 0.00 C ATOM 353 CG ASN A 26 11.896 5.164 -3.556 1.00 0.00 C ATOM 354 OD1 ASN A 26 11.796 3.962 -3.804 1.00 0.00 O ATOM 355 ND2 ASN A 26 11.496 5.694 -2.406 1.00 0.00 N ATOM 0 H ASN A 26 10.653 7.681 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 26 12.441 6.351 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.539 5.860 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.478 7.132 -4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.087 5.099 -1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.598 6.696 -2.243 1.00 0.00 H new ATOM 362 N ILE A 27 10.082 4.378 -5.515 1.00 0.00 N ATOM 363 CA ILE A 27 9.451 3.074 -5.679 1.00 0.00 C ATOM 364 C ILE A 27 9.218 2.759 -7.153 1.00 0.00 C ATOM 365 O ILE A 27 8.610 3.535 -7.891 1.00 0.00 O ATOM 366 CB ILE A 27 8.107 3.001 -4.931 1.00 0.00 C ATOM 367 CG1 ILE A 27 8.321 3.220 -3.431 1.00 0.00 C ATOM 368 CG2 ILE A 27 7.432 1.661 -5.185 1.00 0.00 C ATOM 369 CD1 ILE A 27 7.035 3.420 -2.661 1.00 0.00 C ATOM 0 H ILE A 27 9.599 5.002 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 27 10.133 2.337 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 27 7.456 3.791 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.852 2.362 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.961 4.091 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.483 1.624 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.251 1.542 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.078 0.856 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.262 3.569 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.512 4.295 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.402 2.540 -2.775 1.00 0.00 H new ATOM 577 N ASP A 39 -5.538 8.743 -7.404 1.00 0.00 N ATOM 578 CA ASP A 39 -5.293 7.391 -7.894 1.00 0.00 C ATOM 579 C ASP A 39 -5.256 6.394 -6.740 1.00 0.00 C ATOM 580 O ASP A 39 -5.973 5.393 -6.748 1.00 0.00 O ATOM 581 CB ASP A 39 -3.977 7.339 -8.671 1.00 0.00 C ATOM 582 CG ASP A 39 -3.968 6.246 -9.723 1.00 0.00 C ATOM 583 OD1 ASP A 39 -4.011 5.057 -9.343 1.00 0.00 O ATOM 584 OD2 ASP A 39 -3.921 6.581 -10.925 1.00 0.00 O ATOM 0 HA ASP A 39 -6.111 7.118 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.803 8.302 -9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.154 7.176 -7.975 1.00 0.00 H new ATOM 589 N PHE A 40 -4.415 6.673 -5.750 1.00 0.00 N ATOM 590 CA PHE A 40 -4.283 5.800 -4.589 1.00 0.00 C ATOM 591 C PHE A 40 -5.654 5.415 -4.039 1.00 0.00 C ATOM 592 O PHE A 40 -5.899 4.255 -3.710 1.00 0.00 O ATOM 593 CB PHE A 40 -3.457 6.485 -3.499 1.00 0.00 C ATOM 594 CG PHE A 40 -1.984 6.215 -3.604 1.00 0.00 C ATOM 595 CD1 PHE A 40 -1.276 6.586 -4.736 1.00 0.00 C ATOM 596 CD2 PHE A 40 -1.306 5.589 -2.570 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.080 6.337 -4.835 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.050 5.338 -2.663 1.00 0.00 C ATOM 599 CZ PHE A 40 0.744 5.713 -3.797 1.00 0.00 C ATOM 0 H PHE A 40 -3.814 7.497 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.770 4.892 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.625 7.561 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.811 6.152 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.790 7.075 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.844 5.294 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.620 6.630 -5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.566 4.849 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.804 5.519 -3.872 1.00 0.00 H new ATOM 609 N SER A 41 -6.542 6.399 -3.942 1.00 0.00 N ATOM 610 CA SER A 41 -7.887 6.166 -3.428 1.00 0.00 C ATOM 611 C SER A 41 -8.422 4.817 -3.897 1.00 0.00 C ATOM 612 O SER A 41 -9.174 4.152 -3.183 1.00 0.00 O ATOM 613 CB SER A 41 -8.829 7.285 -3.877 1.00 0.00 C ATOM 614 OG SER A 41 -9.358 7.020 -5.164 1.00 0.00 O ATOM 0 H SER A 41 -6.355 7.365 -4.212 1.00 0.00 H new ATOM 0 HA SER A 41 -7.836 6.159 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.643 7.389 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.292 8.234 -3.889 1.00 0.00 H new ATOM 0 HG SER A 41 -10.262 7.392 -5.229 1.00 0.00 H new ATOM 620 N ASP A 42 -8.029 4.418 -5.102 1.00 0.00 N ATOM 621 CA ASP A 42 -8.467 3.148 -5.668 1.00 0.00 C ATOM 622 C ASP A 42 -8.114 1.989 -4.740 1.00 0.00 C ATOM 623 O ASP A 42 -8.965 1.166 -4.407 1.00 0.00 O ATOM 624 CB ASP A 42 -7.831 2.930 -7.041 1.00 0.00 C ATOM 625 CG ASP A 42 -8.456 3.802 -8.113 1.00 0.00 C ATOM 626 OD1 ASP A 42 -8.318 5.040 -8.026 1.00 0.00 O ATOM 627 OD2 ASP A 42 -9.082 3.245 -9.039 1.00 0.00 O ATOM 0 H ASP A 42 -7.408 4.956 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.551 3.183 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.763 3.141 -6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.933 1.882 -7.324 1.00 0.00 H new ATOM 632 N GLY A 43 -6.851 1.931 -4.329 1.00 0.00 N ATOM 633 CA GLY A 43 -6.406 0.869 -3.445 1.00 0.00 C ATOM 634 C GLY A 43 -5.568 -0.170 -4.163 1.00 0.00 C ATOM 635 O GLY A 43 -4.551 -0.626 -3.641 1.00 0.00 O ATOM 0 H GLY A 43 -6.128 2.600 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.825 1.299 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.274 0.385 -2.998 1.00 0.00 H new ATOM 639 N VAL A 44 -5.996 -0.546 -5.364 1.00 0.00 N ATOM 640 CA VAL A 44 -5.278 -1.538 -6.155 1.00 0.00 C ATOM 641 C VAL A 44 -3.825 -1.126 -6.366 1.00 0.00 C ATOM 642 O VAL A 44 -2.926 -1.968 -6.387 1.00 0.00 O ATOM 643 CB VAL A 44 -5.944 -1.752 -7.527 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.173 -2.779 -8.341 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.395 -2.176 -7.354 1.00 0.00 C ATOM 0 H VAL A 44 -6.836 -0.179 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.310 -2.472 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.928 -0.807 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.659 -2.917 -9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.152 -2.429 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.155 -3.728 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.850 -2.323 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.437 -3.108 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.939 -1.401 -6.814 1.00 0.00 H new ATOM 655 N LEU A 45 -3.602 0.174 -6.522 1.00 0.00 N ATOM 656 CA LEU A 45 -2.257 0.699 -6.731 1.00 0.00 C ATOM 657 C LEU A 45 -1.376 0.443 -5.513 1.00 0.00 C ATOM 658 O LEU A 45 -0.266 -0.074 -5.633 1.00 0.00 O ATOM 659 CB LEU A 45 -2.315 2.199 -7.027 1.00 0.00 C ATOM 660 CG LEU A 45 -0.977 2.940 -6.999 1.00 0.00 C ATOM 661 CD1 LEU A 45 0.055 2.211 -7.843 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.151 4.372 -7.485 1.00 0.00 C ATOM 0 H LEU A 45 -4.334 0.884 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.821 0.182 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.764 2.338 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.982 2.667 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.620 2.967 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.000 2.753 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.200 1.204 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.294 2.152 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.189 4.885 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.531 4.366 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.857 4.892 -6.838 1.00 0.00 H new ATOM 674 N VAL A 46 -1.881 0.807 -4.338 1.00 0.00 N ATOM 675 CA VAL A 46 -1.142 0.614 -3.096 1.00 0.00 C ATOM 676 C VAL A 46 -0.612 -0.812 -2.987 1.00 0.00 C ATOM 677 O VAL A 46 0.539 -1.030 -2.613 1.00 0.00 O ATOM 678 CB VAL A 46 -2.019 0.918 -1.867 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.239 0.686 -0.582 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.547 2.344 -1.930 1.00 0.00 C ATOM 0 H VAL A 46 -2.798 1.237 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.304 1.310 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.871 0.238 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.876 0.906 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.915 -0.354 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.367 1.339 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.165 2.542 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.710 3.042 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.145 2.471 -2.832 1.00 0.00 H new ATOM 690 N ALA A 47 -1.462 -1.779 -3.318 1.00 0.00 N ATOM 691 CA ALA A 47 -1.079 -3.185 -3.261 1.00 0.00 C ATOM 692 C ALA A 47 0.196 -3.439 -4.058 1.00 0.00 C ATOM 693 O ALA A 47 1.039 -4.241 -3.658 1.00 0.00 O ATOM 694 CB ALA A 47 -2.210 -4.061 -3.776 1.00 0.00 C ATOM 0 H ALA A 47 -2.420 -1.615 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.882 -3.441 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.910 -5.108 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.097 -3.909 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.435 -3.795 -4.809 1.00 0.00 H new ATOM 700 N GLU A 48 0.328 -2.753 -5.189 1.00 0.00 N ATOM 701 CA GLU A 48 1.500 -2.907 -6.043 1.00 0.00 C ATOM 702 C GLU A 48 2.755 -2.394 -5.343 1.00 0.00 C ATOM 703 O GLU A 48 3.829 -2.984 -5.458 1.00 0.00 O ATOM 704 CB GLU A 48 1.297 -2.162 -7.364 1.00 0.00 C ATOM 705 CG GLU A 48 0.116 -2.669 -8.174 1.00 0.00 C ATOM 706 CD GLU A 48 0.368 -4.037 -8.779 1.00 0.00 C ATOM 707 OE1 GLU A 48 0.214 -5.042 -8.054 1.00 0.00 O ATOM 708 OE2 GLU A 48 0.718 -4.102 -9.975 1.00 0.00 O ATOM 0 H GLU A 48 -0.362 -2.086 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 48 1.630 -3.969 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.155 -1.102 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.203 -2.250 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.765 -2.715 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.105 -1.959 -8.971 1.00 0.00 H new ATOM 715 N VAL A 49 2.610 -1.289 -4.618 1.00 0.00 N ATOM 716 CA VAL A 49 3.731 -0.695 -3.899 1.00 0.00 C ATOM 717 C VAL A 49 4.353 -1.693 -2.929 1.00 0.00 C ATOM 718 O VAL A 49 5.574 -1.755 -2.784 1.00 0.00 O ATOM 719 CB VAL A 49 3.295 0.560 -3.118 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.412 1.033 -2.201 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.877 1.665 -4.077 1.00 0.00 C ATOM 0 H VAL A 49 1.728 -0.788 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 49 4.471 -0.410 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 49 2.435 0.302 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.086 1.920 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.659 0.243 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.293 1.275 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.572 2.544 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.716 1.923 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.043 1.320 -4.688 1.00 0.00 H new ATOM 731 N ILE A 50 3.505 -2.473 -2.267 1.00 0.00 N ATOM 732 CA ILE A 50 3.971 -3.470 -1.312 1.00 0.00 C ATOM 733 C ILE A 50 4.786 -4.557 -2.005 1.00 0.00 C ATOM 734 O ILE A 50 5.739 -5.092 -1.438 1.00 0.00 O ATOM 735 CB ILE A 50 2.796 -4.124 -0.561 1.00 0.00 C ATOM 736 CG1 ILE A 50 1.970 -3.060 0.163 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.310 -5.165 0.423 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.573 -3.518 0.519 1.00 0.00 C ATOM 0 H ILE A 50 2.491 -2.433 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 50 4.603 -2.947 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 50 2.154 -4.624 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.490 -2.766 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.903 -2.173 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.468 -5.618 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.859 -5.936 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.971 -4.687 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.045 -2.713 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.035 -3.785 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.631 -4.387 1.175 1.00 0.00 H new ATOM 750 N LYS A 51 4.405 -4.879 -3.237 1.00 0.00 N ATOM 751 CA LYS A 51 5.100 -5.900 -4.011 1.00 0.00 C ATOM 752 C LYS A 51 6.612 -5.756 -3.868 1.00 0.00 C ATOM 753 O LYS A 51 7.304 -6.706 -3.501 1.00 0.00 O ATOM 754 CB LYS A 51 4.706 -5.807 -5.487 1.00 0.00 C ATOM 755 CG LYS A 51 4.862 -7.116 -6.242 1.00 0.00 C ATOM 756 CD LYS A 51 3.665 -8.028 -6.031 1.00 0.00 C ATOM 757 CE LYS A 51 3.626 -9.144 -7.064 1.00 0.00 C ATOM 758 NZ LYS A 51 2.384 -9.958 -6.954 1.00 0.00 N ATOM 0 H LYS A 51 3.618 -4.447 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 51 4.807 -6.876 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.669 -5.478 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.316 -5.044 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.981 -6.911 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.769 -7.622 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.706 -8.458 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.746 -7.444 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.692 -8.716 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.495 -9.789 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.395 -10.708 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.333 -10.388 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.555 -9.348 -7.102 1.00 0.00 H new ATOM 772 N PHE A 52 7.118 -4.562 -4.158 1.00 0.00 N ATOM 773 CA PHE A 52 8.548 -4.294 -4.061 1.00 0.00 C ATOM 774 C PHE A 52 9.125 -4.881 -2.776 1.00 0.00 C ATOM 775 O PHE A 52 10.071 -5.669 -2.811 1.00 0.00 O ATOM 776 CB PHE A 52 8.810 -2.787 -4.109 1.00 0.00 C ATOM 777 CG PHE A 52 10.248 -2.421 -3.878 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.264 -3.112 -4.518 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.584 -1.387 -3.019 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.589 -2.777 -4.308 1.00 0.00 C ATOM 781 CE2 PHE A 52 11.907 -1.048 -2.805 1.00 0.00 C ATOM 782 CZ PHE A 52 12.910 -1.744 -3.449 1.00 0.00 C ATOM 0 H PHE A 52 6.559 -3.765 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 52 9.040 -4.769 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.497 -2.403 -5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.193 -2.295 -3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.018 -3.922 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.804 -0.840 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.372 -3.322 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.156 -0.239 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.944 -1.481 -3.282 1.00 0.00 H new ATOM 792 N TYR A 53 8.550 -4.491 -1.644 1.00 0.00 N ATOM 793 CA TYR A 53 9.009 -4.975 -0.348 1.00 0.00 C ATOM 794 C TYR A 53 8.781 -6.478 -0.216 1.00 0.00 C ATOM 795 O TYR A 53 9.715 -7.240 0.036 1.00 0.00 O ATOM 796 CB TYR A 53 8.287 -4.238 0.781 1.00 0.00 C ATOM 797 CG TYR A 53 8.806 -2.838 1.019 1.00 0.00 C ATOM 798 CD1 TYR A 53 8.267 -1.751 0.342 1.00 0.00 C ATOM 799 CD2 TYR A 53 9.836 -2.602 1.922 1.00 0.00 C ATOM 800 CE1 TYR A 53 8.739 -0.470 0.556 1.00 0.00 C ATOM 801 CE2 TYR A 53 10.313 -1.324 2.143 1.00 0.00 C ATOM 802 CZ TYR A 53 9.762 -0.262 1.457 1.00 0.00 C ATOM 803 OH TYR A 53 10.234 1.012 1.674 1.00 0.00 O ATOM 0 H TYR A 53 7.765 -3.841 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 53 10.079 -4.780 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.223 -4.188 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.385 -4.814 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.465 -1.910 -0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.271 -3.431 2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.309 0.364 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.113 -1.158 2.849 1.00 0.00 H new ATOM 0 HH TYR A 53 11.033 0.973 2.240 1.00 0.00 H new ATOM 813 N PHE A 54 7.532 -6.897 -0.388 1.00 0.00 N ATOM 814 CA PHE A 54 7.178 -8.309 -0.288 1.00 0.00 C ATOM 815 C PHE A 54 6.163 -8.692 -1.360 1.00 0.00 C ATOM 816 O PHE A 54 4.994 -8.306 -1.311 1.00 0.00 O ATOM 817 CB PHE A 54 6.613 -8.618 1.100 1.00 0.00 C ATOM 818 CG PHE A 54 7.481 -8.128 2.223 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.596 -8.850 2.620 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.183 -6.947 2.883 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.397 -8.402 3.654 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.980 -6.494 3.916 1.00 0.00 C ATOM 823 CZ PHE A 54 9.088 -7.223 4.303 1.00 0.00 C ATOM 0 H PHE A 54 6.748 -6.279 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 54 8.083 -8.897 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.626 -8.165 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.480 -9.695 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.842 -9.773 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.317 -6.374 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.263 -8.973 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.737 -5.571 4.421 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.711 -6.871 5.112 1.00 0.00 H new ATOM 833 N PRO A 55 6.617 -9.470 -2.354 1.00 0.00 N ATOM 834 CA PRO A 55 5.765 -9.923 -3.458 1.00 0.00 C ATOM 835 C PRO A 55 4.724 -10.941 -3.006 1.00 0.00 C ATOM 836 O PRO A 55 3.622 -11.002 -3.552 1.00 0.00 O ATOM 837 CB PRO A 55 6.757 -10.568 -4.429 1.00 0.00 C ATOM 838 CG PRO A 55 7.904 -10.988 -3.577 1.00 0.00 C ATOM 839 CD PRO A 55 7.998 -9.968 -2.477 1.00 0.00 C ATOM 0 HA PRO A 55 5.192 -9.104 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.312 -11.421 -4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.073 -9.863 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.743 -11.987 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.827 -11.024 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.349 -10.413 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.693 -9.167 -2.730 1.00 0.00 H new ATOM 847 N LYS A 56 5.078 -11.739 -2.004 1.00 0.00 N ATOM 848 CA LYS A 56 4.174 -12.753 -1.476 1.00 0.00 C ATOM 849 C LYS A 56 3.003 -12.109 -0.740 1.00 0.00 C ATOM 850 O LYS A 56 1.853 -12.512 -0.912 1.00 0.00 O ATOM 851 CB LYS A 56 4.926 -13.696 -0.534 1.00 0.00 C ATOM 852 CG LYS A 56 5.565 -12.990 0.650 1.00 0.00 C ATOM 853 CD LYS A 56 6.422 -13.940 1.469 1.00 0.00 C ATOM 854 CE LYS A 56 7.578 -13.212 2.138 1.00 0.00 C ATOM 855 NZ LYS A 56 7.128 -12.416 3.313 1.00 0.00 N ATOM 0 H LYS A 56 5.986 -11.702 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 56 3.781 -13.326 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.235 -14.454 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.700 -14.217 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.177 -12.162 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.787 -12.563 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.807 -14.424 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.811 -14.728 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.328 -13.936 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.058 -12.552 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.945 -11.936 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.431 -11.707 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.692 -13.048 4.014 1.00 0.00 H new ATOM 869 N MET A 57 3.304 -11.106 0.078 1.00 0.00 N ATOM 870 CA MET A 57 2.276 -10.405 0.837 1.00 0.00 C ATOM 871 C MET A 57 1.205 -9.840 -0.091 1.00 0.00 C ATOM 872 O MET A 57 0.044 -9.704 0.294 1.00 0.00 O ATOM 873 CB MET A 57 2.899 -9.277 1.661 1.00 0.00 C ATOM 874 CG MET A 57 3.422 -9.731 3.015 1.00 0.00 C ATOM 875 SD MET A 57 2.169 -9.640 4.309 1.00 0.00 S ATOM 876 CE MET A 57 2.224 -7.895 4.710 1.00 0.00 C ATOM 0 H MET A 57 4.251 -10.761 0.232 1.00 0.00 H new ATOM 0 HA MET A 57 1.807 -11.121 1.512 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.718 -8.834 1.094 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.155 -8.495 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.783 -10.756 2.936 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.275 -9.114 3.296 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.457 -7.772 5.768 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.993 -7.408 4.110 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.256 -7.442 4.497 1.00 0.00 H new ATOM 886 N VAL A 58 1.603 -9.512 -1.316 1.00 0.00 N ATOM 887 CA VAL A 58 0.678 -8.962 -2.299 1.00 0.00 C ATOM 888 C VAL A 58 -0.078 -10.071 -3.023 1.00 0.00 C ATOM 889 O VAL A 58 0.525 -11.008 -3.545 1.00 0.00 O ATOM 890 CB VAL A 58 1.412 -8.095 -3.339 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.438 -7.573 -4.384 1.00 0.00 C ATOM 892 CG2 VAL A 58 2.139 -6.946 -2.655 1.00 0.00 C ATOM 0 H VAL A 58 2.561 -9.618 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.030 -8.339 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 58 2.152 -8.715 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.976 -6.963 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.033 -8.413 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.328 -6.968 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.653 -6.343 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.419 -6.326 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.867 -7.345 -1.949 1.00 0.00 H new ATOM 902 N GLU A 59 -1.403 -9.957 -3.049 1.00 0.00 N ATOM 903 CA GLU A 59 -2.241 -10.951 -3.709 1.00 0.00 C ATOM 904 C GLU A 59 -3.126 -10.300 -4.768 1.00 0.00 C ATOM 905 O GLU A 59 -4.285 -9.975 -4.509 1.00 0.00 O ATOM 906 CB GLU A 59 -3.109 -11.681 -2.681 1.00 0.00 C ATOM 907 CG GLU A 59 -2.330 -12.643 -1.800 1.00 0.00 C ATOM 908 CD GLU A 59 -2.158 -14.009 -2.437 1.00 0.00 C ATOM 909 OE1 GLU A 59 -2.038 -14.075 -3.678 1.00 0.00 O ATOM 910 OE2 GLU A 59 -2.143 -15.012 -1.692 1.00 0.00 O ATOM 0 H GLU A 59 -1.918 -9.187 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.588 -11.672 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.606 -10.945 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.891 -12.232 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.349 -12.220 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.845 -12.754 -0.846 1.00 0.00 H new ATOM 917 N MET A 60 -2.571 -10.113 -5.960 1.00 0.00 N ATOM 918 CA MET A 60 -3.310 -9.501 -7.059 1.00 0.00 C ATOM 919 C MET A 60 -4.172 -10.535 -7.777 1.00 0.00 C ATOM 920 O MET A 60 -4.051 -10.726 -8.987 1.00 0.00 O ATOM 921 CB MET A 60 -2.345 -8.849 -8.050 1.00 0.00 C ATOM 922 CG MET A 60 -1.936 -7.437 -7.661 1.00 0.00 C ATOM 923 SD MET A 60 -3.129 -6.196 -8.198 1.00 0.00 S ATOM 924 CE MET A 60 -3.606 -5.483 -6.625 1.00 0.00 C ATOM 0 H MET A 60 -1.613 -10.376 -6.190 1.00 0.00 H new ATOM 0 HA MET A 60 -3.964 -8.735 -6.642 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.451 -9.467 -8.134 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.810 -8.825 -9.035 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.822 -7.381 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.962 -7.212 -8.096 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.649 -5.723 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.976 -5.891 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.484 -4.401 -6.664 1.00 0.00 H new ATOM 934 N HIS A 61 -5.041 -11.200 -7.023 1.00 0.00 N ATOM 935 CA HIS A 61 -5.924 -12.215 -7.588 1.00 0.00 C ATOM 936 C HIS A 61 -7.368 -11.982 -7.154 1.00 0.00 C ATOM 937 O HIS A 61 -8.303 -12.255 -7.905 1.00 0.00 O ATOM 938 CB HIS A 61 -5.470 -13.611 -7.160 1.00 0.00 C ATOM 939 CG HIS A 61 -4.454 -14.218 -8.078 1.00 0.00 C ATOM 940 ND1 HIS A 61 -3.480 -15.094 -7.648 1.00 0.00 N ATOM 941 CD2 HIS A 61 -4.264 -14.072 -9.410 1.00 0.00 C ATOM 942 CE1 HIS A 61 -2.734 -15.459 -8.675 1.00 0.00 C ATOM 943 NE2 HIS A 61 -3.190 -14.853 -9.757 1.00 0.00 N ATOM 0 H HIS A 61 -5.153 -11.055 -6.020 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.873 -12.141 -8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.052 -13.556 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.339 -14.267 -7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.849 -13.455 -10.076 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.894 -16.137 -8.637 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.806 -14.950 -10.697 1.00 0.00 H new ATOM 952 N ASN A 62 -7.541 -11.475 -5.938 1.00 0.00 N ATOM 953 CA ASN A 62 -8.871 -11.206 -5.404 1.00 0.00 C ATOM 954 C ASN A 62 -9.282 -9.761 -5.669 1.00 0.00 C ATOM 955 O ASN A 62 -10.388 -9.495 -6.139 1.00 0.00 O ATOM 956 CB ASN A 62 -8.908 -11.492 -3.901 1.00 0.00 C ATOM 957 CG ASN A 62 -8.066 -12.694 -3.521 1.00 0.00 C ATOM 958 OD1 ASN A 62 -8.534 -13.832 -3.561 1.00 0.00 O ATOM 959 ND2 ASN A 62 -6.815 -12.446 -3.149 1.00 0.00 N ATOM 0 H ASN A 62 -6.777 -11.242 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.578 -11.864 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.552 -10.616 -3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.939 -11.662 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.200 -13.215 -2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.469 -11.487 -3.131 1.00 0.00 H new ATOM 966 N TYR A 63 -8.383 -8.832 -5.364 1.00 0.00 N ATOM 967 CA TYR A 63 -8.651 -7.413 -5.567 1.00 0.00 C ATOM 968 C TYR A 63 -8.838 -7.100 -7.048 1.00 0.00 C ATOM 969 O TYR A 63 -7.978 -7.407 -7.873 1.00 0.00 O ATOM 970 CB TYR A 63 -7.510 -6.570 -4.996 1.00 0.00 C ATOM 971 CG TYR A 63 -7.245 -6.823 -3.529 1.00 0.00 C ATOM 972 CD1 TYR A 63 -8.134 -6.383 -2.556 1.00 0.00 C ATOM 973 CD2 TYR A 63 -6.106 -7.503 -3.117 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.895 -6.612 -1.215 1.00 0.00 C ATOM 975 CE2 TYR A 63 -5.860 -7.738 -1.778 1.00 0.00 C ATOM 976 CZ TYR A 63 -6.757 -7.289 -0.831 1.00 0.00 C ATOM 977 OH TYR A 63 -6.516 -7.520 0.504 1.00 0.00 O ATOM 0 H TYR A 63 -7.462 -9.036 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.574 -7.165 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.601 -6.774 -5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.743 -5.515 -5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.027 -5.853 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.401 -7.854 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.596 -6.263 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.971 -8.270 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.673 -8.010 0.604 1.00 0.00 H new ATOM 987 N VAL A 64 -9.970 -6.486 -7.379 1.00 0.00 N ATOM 988 CA VAL A 64 -10.271 -6.129 -8.760 1.00 0.00 C ATOM 989 C VAL A 64 -10.492 -4.627 -8.904 1.00 0.00 C ATOM 990 O VAL A 64 -11.147 -3.989 -8.080 1.00 0.00 O ATOM 991 CB VAL A 64 -11.519 -6.871 -9.272 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.857 -6.433 -10.689 1.00 0.00 C ATOM 993 CG2 VAL A 64 -11.307 -8.376 -9.207 1.00 0.00 C ATOM 0 H VAL A 64 -10.694 -6.226 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.410 -6.426 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.361 -6.617 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.742 -6.968 -11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.053 -5.361 -10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.018 -6.656 -11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.199 -8.885 -9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.453 -8.650 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.117 -8.672 -8.175 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.932 -4.047 -9.976 1.00 0.00 N ATOM 1004 CA PRO A 65 -10.055 -2.613 -10.254 1.00 0.00 C ATOM 1005 C PRO A 65 -11.472 -2.220 -10.659 1.00 0.00 C ATOM 1006 O PRO A 65 -11.918 -2.522 -11.765 1.00 0.00 O ATOM 1007 CB PRO A 65 -9.087 -2.393 -11.419 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.993 -3.720 -12.090 1.00 0.00 C ATOM 1009 CD PRO A 65 -9.138 -4.746 -11.000 1.00 0.00 C ATOM 0 HA PRO A 65 -9.832 -2.008 -9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.458 -1.629 -12.103 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.112 -2.058 -11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.775 -3.834 -12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.039 -3.830 -12.605 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.644 -5.643 -11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.169 -5.060 -10.612 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.174 -1.544 -9.755 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.540 -1.108 -10.019 1.00 0.00 C ATOM 1019 C ALA A 66 -13.610 0.406 -10.187 1.00 0.00 C ATOM 1020 O ALA A 66 -12.608 1.104 -10.035 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.464 -1.560 -8.898 1.00 0.00 C ATOM 0 H ALA A 66 -11.819 -1.287 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.868 -1.566 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.481 -1.228 -9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.445 -2.648 -8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.129 -1.129 -7.954 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.799 0.907 -10.503 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.999 2.339 -10.694 1.00 0.00 C ATOM 1029 C ASN A 67 -15.980 2.893 -9.664 1.00 0.00 C ATOM 1030 O ASN A 67 -15.796 3.996 -9.148 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.513 2.620 -12.107 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.396 2.653 -13.132 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -13.355 3.272 -12.913 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -14.609 1.985 -14.260 1.00 0.00 N ATOM 0 H ASN A 67 -15.639 0.343 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.038 2.836 -10.559 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.237 1.854 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.039 3.574 -12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.894 1.971 -14.987 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.487 1.486 -14.399 1.00 0.00 H new ATOM 1041 N SER A 68 -17.021 2.121 -9.371 1.00 0.00 N ATOM 1042 CA SER A 68 -18.032 2.535 -8.406 1.00 0.00 C ATOM 1043 C SER A 68 -17.406 2.790 -7.038 1.00 0.00 C ATOM 1044 O SER A 68 -16.229 2.499 -6.817 1.00 0.00 O ATOM 1045 CB SER A 68 -19.123 1.469 -8.289 1.00 0.00 C ATOM 1046 OG SER A 68 -20.131 1.662 -9.267 1.00 0.00 O ATOM 0 H SER A 68 -17.186 1.205 -9.788 1.00 0.00 H new ATOM 0 HA SER A 68 -18.478 3.464 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.683 0.479 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.566 1.505 -7.294 1.00 0.00 H new ATOM 0 HG SER A 68 -20.816 0.967 -9.173 1.00 0.00 H new ATOM 1052 N LEU A 69 -18.200 3.334 -6.123 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.726 3.628 -4.775 1.00 0.00 C ATOM 1054 C LEU A 69 -17.767 2.381 -3.899 1.00 0.00 C ATOM 1055 O LEU A 69 -16.745 1.957 -3.358 1.00 0.00 O ATOM 1056 CB LEU A 69 -18.573 4.736 -4.146 1.00 0.00 C ATOM 1057 CG LEU A 69 -17.931 5.492 -2.982 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -17.290 4.522 -2.003 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -16.903 6.490 -3.497 1.00 0.00 C ATOM 0 H LEU A 69 -19.176 3.581 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.692 3.965 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.829 5.456 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.508 4.298 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.712 6.042 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.839 5.079 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.050 3.847 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.521 3.943 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.456 7.019 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.125 5.960 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.391 7.206 -4.158 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.953 1.796 -3.765 1.00 0.00 N ATOM 1072 CA GLN A 70 -19.125 0.596 -2.956 1.00 0.00 C ATOM 1073 C GLN A 70 -17.930 -0.340 -3.107 1.00 0.00 C ATOM 1074 O GLN A 70 -17.392 -0.838 -2.119 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.411 -0.132 -3.352 1.00 0.00 C ATOM 1076 CG GLN A 70 -20.400 -0.651 -4.781 1.00 0.00 C ATOM 1077 CD GLN A 70 -21.730 -1.252 -5.194 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.017 -2.413 -4.902 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -22.550 -0.462 -5.877 1.00 0.00 N ATOM 0 H GLN A 70 -19.808 2.134 -4.206 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.195 0.900 -1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.570 -0.969 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -21.256 0.545 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.149 0.165 -5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.618 -1.403 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -22.271 0.494 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -23.459 -0.811 -6.181 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.522 -0.574 -4.350 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.391 -1.450 -4.630 1.00 0.00 C ATOM 1090 C GLN A 71 -15.152 -1.002 -3.863 1.00 0.00 C ATOM 1091 O GLN A 71 -14.472 -1.812 -3.232 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.095 -1.473 -6.131 1.00 0.00 C ATOM 1093 CG GLN A 71 -16.923 -2.492 -6.898 1.00 0.00 C ATOM 1094 CD GLN A 71 -17.024 -3.823 -6.179 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -18.111 -4.248 -5.787 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.888 -4.488 -6.002 1.00 0.00 N ATOM 0 H GLN A 71 -17.958 -0.169 -5.179 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.654 -2.456 -4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.280 -0.482 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.037 -1.689 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.925 -2.093 -7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.480 -2.648 -7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.010 -4.097 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.894 -5.389 -5.524 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.862 0.293 -3.921 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.705 0.851 -3.231 1.00 0.00 C ATOM 1107 C LYS A 72 -13.665 0.392 -1.777 1.00 0.00 C ATOM 1108 O LYS A 72 -12.748 -0.318 -1.364 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.736 2.380 -3.294 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.821 2.929 -4.708 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.471 2.887 -5.404 1.00 0.00 C ATOM 1112 CE LYS A 72 -12.288 1.596 -6.187 1.00 0.00 C ATOM 1113 NZ LYS A 72 -12.764 1.727 -7.592 1.00 0.00 N ATOM 0 H LYS A 72 -15.413 0.977 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.806 0.491 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.590 2.742 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.840 2.773 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.545 2.350 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.185 3.956 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.381 3.739 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.676 2.981 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.234 1.316 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.832 0.791 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.220 1.085 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.773 1.480 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.631 2.707 -7.914 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.666 0.801 -1.005 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.747 0.430 0.404 1.00 0.00 C ATOM 1129 C LEU A 73 -14.586 -1.076 0.580 1.00 0.00 C ATOM 1130 O LEU A 73 -13.834 -1.534 1.441 1.00 0.00 O ATOM 1131 CB LEU A 73 -16.082 0.885 0.996 1.00 0.00 C ATOM 1132 CG LEU A 73 -16.159 2.347 1.434 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.579 2.710 1.837 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -15.193 2.613 2.579 1.00 0.00 C ATOM 0 H LEU A 73 -15.433 1.390 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.934 0.928 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.864 0.706 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.308 0.256 1.857 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.872 2.974 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.614 3.755 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.247 2.560 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.895 2.076 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.262 3.659 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.449 1.976 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.176 2.394 2.255 1.00 0.00 H new ATOM 1146 N SER A 74 -15.295 -1.843 -0.242 1.00 0.00 N ATOM 1147 CA SER A 74 -15.232 -3.298 -0.176 1.00 0.00 C ATOM 1148 C SER A 74 -13.793 -3.786 -0.313 1.00 0.00 C ATOM 1149 O SER A 74 -13.334 -4.623 0.463 1.00 0.00 O ATOM 1150 CB SER A 74 -16.100 -3.918 -1.273 1.00 0.00 C ATOM 1151 OG SER A 74 -16.383 -5.278 -0.992 1.00 0.00 O ATOM 0 H SER A 74 -15.920 -1.481 -0.962 1.00 0.00 H new ATOM 0 HA SER A 74 -15.612 -3.610 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.032 -3.360 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.589 -3.840 -2.233 1.00 0.00 H new ATOM 0 HG SER A 74 -16.940 -5.651 -1.707 1.00 0.00 H new ATOM 1157 N ASN A 75 -13.087 -3.257 -1.307 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.701 -3.638 -1.547 1.00 0.00 C ATOM 1159 C ASN A 75 -10.827 -3.301 -0.343 1.00 0.00 C ATOM 1160 O ASN A 75 -10.200 -4.181 0.248 1.00 0.00 O ATOM 1161 CB ASN A 75 -11.165 -2.932 -2.794 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.656 -3.573 -4.078 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.607 -4.355 -4.070 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -11.008 -3.243 -5.189 1.00 0.00 N ATOM 0 H ASN A 75 -13.453 -2.563 -1.959 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.669 -4.716 -1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.469 -1.885 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.075 -2.948 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.293 -3.642 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.225 -2.590 -5.148 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.791 -2.023 0.015 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.995 -1.569 1.150 1.00 0.00 C ATOM 1173 C TRP A 76 -10.253 -2.436 2.377 1.00 0.00 C ATOM 1174 O TRP A 76 -9.319 -2.939 3.001 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.310 -0.107 1.468 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.434 0.863 0.733 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.722 1.499 -0.441 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.129 1.304 1.122 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.674 2.309 -0.805 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.684 2.208 0.137 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.293 1.025 2.206 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.442 2.832 0.207 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.060 1.645 2.273 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.644 2.540 1.279 1.00 0.00 C ATOM 0 H TRP A 76 -11.303 -1.282 -0.464 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.942 -1.656 0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.352 0.095 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.201 0.056 2.540 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.638 1.382 -1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.638 2.892 -1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.605 0.337 2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.120 3.523 -0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.406 1.436 3.106 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.674 3.009 1.361 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.526 -2.608 2.719 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.883 -3.415 3.871 1.00 0.00 C ATOM 1197 C GLY A 77 -11.003 -4.641 4.015 1.00 0.00 C ATOM 1198 O GLY A 77 -10.454 -4.897 5.087 1.00 0.00 O ATOM 0 H GLY A 77 -12.317 -2.203 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.806 -2.809 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.924 -3.727 3.784 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.870 -5.402 2.934 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.051 -6.609 2.945 1.00 0.00 C ATOM 1204 C HIS A 78 -8.589 -6.272 3.223 1.00 0.00 C ATOM 1205 O HIS A 78 -7.980 -6.815 4.145 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.171 -7.345 1.610 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.414 -8.172 1.492 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -12.341 -7.998 0.486 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -11.880 -9.185 2.259 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.324 -8.867 0.641 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.068 -9.599 1.710 1.00 0.00 N ATOM 0 H HIS A 78 -11.319 -5.205 2.039 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.414 -7.257 3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.151 -6.616 0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.302 -7.990 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -11.405 -9.592 3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -14.190 -8.963 0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -13.657 -10.350 2.069 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.032 -5.372 2.420 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.641 -4.962 2.580 1.00 0.00 C ATOM 1222 C LEU A 79 -6.323 -4.673 4.043 1.00 0.00 C ATOM 1223 O LEU A 79 -5.165 -4.717 4.457 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.353 -3.724 1.729 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.882 -3.454 1.412 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.473 -4.162 0.129 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.625 -1.958 1.304 1.00 0.00 C ATOM 0 H LEU A 79 -8.522 -4.913 1.652 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.005 -5.782 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.895 -3.821 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.759 -2.852 2.242 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.276 -3.848 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.423 -3.958 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.618 -5.236 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.085 -3.800 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.573 -1.785 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.241 -1.540 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.877 -1.476 2.249 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.359 -4.378 4.821 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.190 -4.083 6.240 1.00 0.00 C ATOM 1241 C ASN A 80 -6.990 -5.365 7.042 1.00 0.00 C ATOM 1242 O ASN A 80 -6.193 -5.404 7.980 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.405 -3.320 6.772 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.226 -2.879 8.212 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.758 -3.646 9.053 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -8.599 -1.638 8.501 1.00 0.00 N ATOM 0 H ASN A 80 -8.324 -4.337 4.494 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.301 -3.462 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.584 -2.445 6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.290 -3.952 6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.502 -1.285 9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.982 -1.038 7.771 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.718 -6.411 6.666 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.621 -7.695 7.350 1.00 0.00 C ATOM 1255 C ARG A 81 -6.802 -8.688 6.530 1.00 0.00 C ATOM 1256 O ARG A 81 -6.676 -9.857 6.896 1.00 0.00 O ATOM 1257 CB ARG A 81 -9.016 -8.263 7.614 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.920 -7.321 8.392 1.00 0.00 C ATOM 1259 CD ARG A 81 -9.678 -7.427 9.889 1.00 0.00 C ATOM 1260 NE ARG A 81 -10.195 -8.676 10.441 1.00 0.00 N ATOM 1261 CZ ARG A 81 -10.075 -9.021 11.718 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -9.459 -8.214 12.571 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -10.572 -10.175 12.144 1.00 0.00 N ATOM 0 H ARG A 81 -8.382 -6.395 5.891 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.116 -7.533 8.302 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.488 -8.502 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.920 -9.198 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.746 -6.296 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.963 -7.552 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.609 -7.358 10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.152 -6.585 10.393 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.675 -9.319 9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.076 -7.326 12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.368 -8.481 13.551 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.047 -10.798 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.479 -10.439 13.125 1.00 0.00 H new ATOM 1277 N LYS A 82 -6.248 -8.215 5.419 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.441 -9.059 4.546 1.00 0.00 C ATOM 1279 C LYS A 82 -3.993 -8.580 4.514 1.00 0.00 C ATOM 1280 O LYS A 82 -3.068 -9.379 4.365 1.00 0.00 O ATOM 1281 CB LYS A 82 -6.020 -9.064 3.130 1.00 0.00 C ATOM 1282 CG LYS A 82 -7.261 -9.927 2.983 1.00 0.00 C ATOM 1283 CD LYS A 82 -6.905 -11.362 2.632 1.00 0.00 C ATOM 1284 CE LYS A 82 -8.007 -12.028 1.822 1.00 0.00 C ATOM 1285 NZ LYS A 82 -9.017 -12.685 2.696 1.00 0.00 N ATOM 0 H LYS A 82 -6.343 -7.250 5.102 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.461 -10.074 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.263 -8.041 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.258 -9.418 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.830 -9.909 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.905 -9.511 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.974 -11.379 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.731 -11.929 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.498 -11.283 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.569 -12.769 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.751 -13.127 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.553 -13.413 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.453 -11.974 3.317 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.803 -7.272 4.655 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.468 -6.688 4.644 1.00 0.00 C ATOM 1301 C VAL A 83 -2.148 -6.024 5.978 1.00 0.00 C ATOM 1302 O VAL A 83 -1.373 -6.552 6.777 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.319 -5.648 3.517 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.988 -4.921 3.633 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.455 -6.315 2.156 1.00 0.00 C ATOM 0 H VAL A 83 -4.558 -6.597 4.778 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.767 -7.504 4.470 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.117 -4.912 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.901 -4.191 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.935 -4.410 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.173 -5.641 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.347 -5.566 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.680 -7.073 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.436 -6.784 2.077 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.749 -4.863 6.214 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.529 -4.125 7.454 1.00 0.00 C ATOM 1317 C LEU A 84 -2.382 -5.078 8.636 1.00 0.00 C ATOM 1318 O LEU A 84 -1.364 -5.075 9.328 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.685 -3.156 7.705 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.964 -2.142 6.595 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.211 -1.331 6.915 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.766 -1.225 6.396 1.00 0.00 C ATOM 0 H LEU A 84 -3.392 -4.412 5.564 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.604 -3.558 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.591 -3.738 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.481 -2.610 8.626 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.137 -2.687 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.394 -0.614 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.067 -2.000 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.067 -0.797 7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.983 -0.510 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.561 -0.688 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.895 -1.819 6.121 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.406 -5.895 8.861 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.392 -6.856 9.957 1.00 0.00 C ATOM 1336 C LYS A 85 -2.004 -7.468 10.126 1.00 0.00 C ATOM 1337 O LYS A 85 -1.437 -7.451 11.218 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.420 -7.961 9.707 1.00 0.00 C ATOM 1339 CG LYS A 85 -4.622 -8.885 10.895 1.00 0.00 C ATOM 1340 CD LYS A 85 -5.600 -10.003 10.574 1.00 0.00 C ATOM 1341 CE LYS A 85 -4.896 -11.195 9.945 1.00 0.00 C ATOM 1342 NZ LYS A 85 -4.269 -12.073 10.971 1.00 0.00 N ATOM 0 H LYS A 85 -4.256 -5.910 8.298 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.652 -6.327 10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.375 -7.505 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.104 -8.552 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.664 -9.313 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.991 -8.311 11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.106 -10.318 11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.368 -9.632 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.612 -11.773 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.132 -10.842 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.799 -12.874 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.567 -11.528 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.002 -12.431 11.616 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.463 -8.005 9.038 1.00 0.00 N ATOM 1357 CA ARG A 86 -0.142 -8.622 9.066 1.00 0.00 C ATOM 1358 C ARG A 86 0.910 -7.629 9.552 1.00 0.00 C ATOM 1359 O ARG A 86 1.829 -7.992 10.288 1.00 0.00 O ATOM 1360 CB ARG A 86 0.233 -9.139 7.676 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.753 -10.153 7.118 1.00 0.00 C ATOM 1362 CD ARG A 86 -0.577 -11.517 7.768 1.00 0.00 C ATOM 1363 NE ARG A 86 -1.149 -12.588 6.956 1.00 0.00 N ATOM 1364 CZ ARG A 86 -1.289 -13.838 7.382 1.00 0.00 C ATOM 1365 NH1 ARG A 86 -0.902 -14.173 8.605 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -1.819 -14.756 6.584 1.00 0.00 N ATOM 0 H ARG A 86 -1.919 -8.026 8.126 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.175 -9.461 9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.301 -8.295 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.223 -9.594 7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.771 -9.800 7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.615 -10.242 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.484 -11.709 7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.050 -11.514 8.750 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.458 -12.364 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.495 -13.470 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.011 -15.134 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.119 -14.502 5.643 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.926 -15.716 6.912 1.00 0.00 H new ATOM 1380 N LEU A 87 0.771 -6.376 9.134 1.00 0.00 N ATOM 1381 CA LEU A 87 1.710 -5.330 9.526 1.00 0.00 C ATOM 1382 C LEU A 87 1.332 -4.738 10.880 1.00 0.00 C ATOM 1383 O LEU A 87 1.603 -3.571 11.156 1.00 0.00 O ATOM 1384 CB LEU A 87 1.746 -4.227 8.467 1.00 0.00 C ATOM 1385 CG LEU A 87 2.305 -4.626 7.101 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.765 -3.709 6.014 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.827 -4.597 7.118 1.00 0.00 C ATOM 0 H LEU A 87 0.018 -6.059 8.524 1.00 0.00 H new ATOM 0 HA LEU A 87 2.700 -5.778 9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.732 -3.852 8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.341 -3.399 8.853 1.00 0.00 H new ATOM 0 HG LEU A 87 1.983 -5.644 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.174 -4.008 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.678 -3.780 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.056 -2.681 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.207 -4.884 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.169 -3.591 7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.196 -5.296 7.869 1.00 0.00 H new ATOM 1399 N ASN A 88 0.706 -5.554 11.723 1.00 0.00 N ATOM 1400 CA ASN A 88 0.293 -5.112 13.050 1.00 0.00 C ATOM 1401 C ASN A 88 -0.317 -3.714 12.992 1.00 0.00 C ATOM 1402 O ASN A 88 -0.154 -2.916 13.914 1.00 0.00 O ATOM 1403 CB ASN A 88 1.486 -5.121 14.008 1.00 0.00 C ATOM 1404 CG ASN A 88 1.078 -4.840 15.441 1.00 0.00 C ATOM 1405 OD1 ASN A 88 0.092 -5.386 15.936 1.00 0.00 O ATOM 1406 ND2 ASN A 88 1.837 -3.983 16.115 1.00 0.00 N ATOM 0 H ASN A 88 0.474 -6.524 11.510 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.464 -5.805 13.417 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.982 -6.090 13.958 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.212 -4.374 13.687 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.611 -3.754 17.083 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.645 -3.554 15.664 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.020 -3.426 11.901 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.654 -2.125 11.722 1.00 0.00 C ATOM 1415 C PHE A 89 -3.174 -2.250 11.771 1.00 0.00 C ATOM 1416 O PHE A 89 -3.742 -3.236 11.302 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.225 -1.504 10.392 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.240 -0.002 10.399 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -0.124 0.714 10.801 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -2.371 0.694 10.005 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -0.134 2.096 10.809 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -2.388 2.076 10.010 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.268 2.778 10.414 1.00 0.00 C ATOM 0 H PHE A 89 -1.165 -4.076 11.128 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.334 -1.477 12.538 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.220 -1.848 10.147 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.886 -1.862 9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.765 0.185 11.112 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.250 0.150 9.690 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.743 2.642 11.124 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.275 2.607 9.699 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.280 3.858 10.421 1.00 0.00 H new ATOM 1433 N SER A 90 -3.827 -1.243 12.343 1.00 0.00 N ATOM 1434 CA SER A 90 -5.280 -1.241 12.457 1.00 0.00 C ATOM 1435 C SER A 90 -5.855 0.113 12.052 1.00 0.00 C ATOM 1436 O SER A 90 -5.229 1.153 12.255 1.00 0.00 O ATOM 1437 CB SER A 90 -5.701 -1.578 13.889 1.00 0.00 C ATOM 1438 OG SER A 90 -5.400 -2.926 14.205 1.00 0.00 O ATOM 0 H SER A 90 -3.372 -0.418 12.735 1.00 0.00 H new ATOM 0 HA SER A 90 -5.674 -2.001 11.781 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.190 -0.915 14.587 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.770 -1.403 14.008 1.00 0.00 H new ATOM 0 HG SER A 90 -5.677 -3.116 15.126 1.00 0.00 H new ATOM 1444 N VAL A 91 -7.053 0.092 11.476 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.715 1.316 11.042 1.00 0.00 C ATOM 1446 C VAL A 91 -9.230 1.196 11.166 1.00 0.00 C ATOM 1447 O VAL A 91 -9.823 0.164 10.851 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.355 1.663 9.586 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -8.119 2.895 9.125 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.855 1.871 9.443 1.00 0.00 C ATOM 0 H VAL A 91 -7.585 -0.760 11.299 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.363 2.115 11.695 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.645 0.827 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.851 3.124 8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.190 2.703 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.864 3.741 9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.619 2.115 8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.538 2.689 10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.332 0.958 9.729 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.873 2.275 11.634 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.328 2.316 11.809 1.00 0.00 C ATOM 1462 C PRO A 92 -12.071 2.330 10.478 1.00 0.00 C ATOM 1463 O PRO A 92 -11.488 2.618 9.433 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.558 3.628 12.563 1.00 0.00 C ATOM 1465 CG PRO A 92 -10.389 4.480 12.206 1.00 0.00 C ATOM 1466 CD PRO A 92 -9.230 3.540 12.029 1.00 0.00 C ATOM 0 HA PRO A 92 -11.700 1.436 12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.496 4.097 12.265 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.613 3.462 13.639 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.580 5.041 11.291 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.184 5.209 12.990 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.538 3.895 11.265 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.658 3.429 12.950 1.00 0.00 H new ATOM 1474 N ASP A 93 -13.362 2.017 10.523 1.00 0.00 N ATOM 1475 CA ASP A 93 -14.186 1.995 9.320 1.00 0.00 C ATOM 1476 C ASP A 93 -14.481 3.411 8.837 1.00 0.00 C ATOM 1477 O ASP A 93 -14.828 3.622 7.675 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.495 1.250 9.586 1.00 0.00 C ATOM 1479 CG ASP A 93 -16.205 0.852 8.307 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -16.046 1.564 7.294 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -16.918 -0.173 8.319 1.00 0.00 O ATOM 0 H ASP A 93 -13.860 1.775 11.380 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.632 1.473 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.288 0.357 10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.154 1.881 10.183 1.00 0.00 H new ATOM 1486 N ASP A 94 -14.342 4.378 9.738 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.594 5.775 9.404 1.00 0.00 C ATOM 1488 C ASP A 94 -13.485 6.331 8.516 1.00 0.00 C ATOM 1489 O ASP A 94 -13.752 6.945 7.483 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.712 6.613 10.679 1.00 0.00 C ATOM 1491 CG ASP A 94 -16.134 6.679 11.199 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -16.513 5.800 12.001 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -16.868 7.609 10.804 1.00 0.00 O ATOM 0 H ASP A 94 -14.056 4.220 10.704 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.534 5.827 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.066 6.191 11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.354 7.623 10.481 1.00 0.00 H new ATOM 1498 N VAL A 95 -12.240 6.112 8.926 1.00 0.00 N ATOM 1499 CA VAL A 95 -11.090 6.590 8.168 1.00 0.00 C ATOM 1500 C VAL A 95 -11.062 5.983 6.770 1.00 0.00 C ATOM 1501 O VAL A 95 -10.621 6.620 5.814 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.768 6.260 8.886 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.598 6.350 7.918 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.561 7.187 10.074 1.00 0.00 C ATOM 0 H VAL A 95 -12.002 5.606 9.779 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.191 7.672 8.089 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.822 5.237 9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.672 6.114 8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.744 5.641 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.538 7.360 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.622 6.939 10.569 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.527 8.220 9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.385 7.067 10.777 1.00 0.00 H new ATOM 1514 N MET A 96 -11.537 4.747 6.659 1.00 0.00 N ATOM 1515 CA MET A 96 -11.568 4.053 5.376 1.00 0.00 C ATOM 1516 C MET A 96 -12.482 4.774 4.390 1.00 0.00 C ATOM 1517 O MET A 96 -12.130 4.960 3.225 1.00 0.00 O ATOM 1518 CB MET A 96 -12.039 2.609 5.564 1.00 0.00 C ATOM 1519 CG MET A 96 -11.010 1.718 6.240 1.00 0.00 C ATOM 1520 SD MET A 96 -11.142 -0.006 5.728 1.00 0.00 S ATOM 1521 CE MET A 96 -12.020 -0.707 7.123 1.00 0.00 C ATOM 0 H MET A 96 -11.905 4.205 7.441 1.00 0.00 H new ATOM 0 HA MET A 96 -10.557 4.048 4.970 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.954 2.608 6.157 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.289 2.187 4.591 1.00 0.00 H new ATOM 0 HG2 MET A 96 -10.010 2.086 6.011 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.133 1.783 7.321 1.00 0.00 H new ATOM 0 HE1 MET A 96 -12.069 -1.791 7.015 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.496 -0.458 8.045 1.00 0.00 H new ATOM 0 HE3 MET A 96 -13.030 -0.300 7.159 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.656 5.177 4.865 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.621 5.876 4.024 1.00 0.00 C ATOM 1533 C ARG A 97 -13.958 7.035 3.285 1.00 0.00 C ATOM 1534 O ARG A 97 -14.065 7.149 2.064 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.784 6.396 4.870 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.840 5.343 5.167 1.00 0.00 C ATOM 1537 CD ARG A 97 -18.201 5.974 5.417 1.00 0.00 C ATOM 1538 NE ARG A 97 -19.152 5.017 5.977 1.00 0.00 N ATOM 1539 CZ ARG A 97 -20.323 5.365 6.499 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.685 6.640 6.533 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -21.135 4.437 6.988 1.00 0.00 N ATOM 0 H ARG A 97 -13.962 5.032 5.827 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.004 5.169 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.393 6.782 5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.253 7.233 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.908 4.648 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.541 4.762 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.090 6.817 6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.594 6.371 4.481 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.903 4.028 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.064 7.357 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.585 6.904 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.861 3.455 6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.034 4.706 7.389 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.274 7.894 4.033 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.593 9.044 3.451 1.00 0.00 C ATOM 1557 C LYS A 98 -11.669 8.612 2.317 1.00 0.00 C ATOM 1558 O LYS A 98 -11.813 9.063 1.180 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.791 9.785 4.523 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.657 10.470 5.566 1.00 0.00 C ATOM 1561 CD LYS A 98 -11.919 10.632 6.884 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.845 11.129 7.983 1.00 0.00 C ATOM 1563 NZ LYS A 98 -12.998 12.610 7.952 1.00 0.00 N ATOM 0 H LYS A 98 -13.177 7.815 5.045 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.350 9.715 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.127 9.079 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.159 10.531 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.966 11.448 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.565 9.888 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.483 9.677 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.094 11.333 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.823 10.661 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.453 10.825 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.637 12.909 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.068 13.058 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.396 12.899 7.036 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.722 7.736 2.633 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.776 7.241 1.640 1.00 0.00 C ATOM 1579 C ILE A 99 -10.485 6.882 0.338 1.00 0.00 C ATOM 1580 O ILE A 99 -10.141 7.391 -0.729 1.00 0.00 O ATOM 1581 CB ILE A 99 -9.014 6.006 2.154 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.211 6.360 3.407 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.098 5.460 1.069 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.695 5.151 4.156 1.00 0.00 C ATOM 0 H ILE A 99 -10.589 7.354 3.569 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.064 8.045 1.454 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.738 5.234 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.367 6.988 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.837 6.951 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.566 4.587 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.692 5.175 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.379 6.226 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.135 5.478 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.535 4.533 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.042 4.571 3.504 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.477 6.003 0.433 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.237 5.579 -0.736 1.00 0.00 C ATOM 1598 C ALA A 100 -12.957 6.758 -1.380 1.00 0.00 C ATOM 1599 O ALA A 100 -13.282 6.725 -2.567 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.233 4.495 -0.353 1.00 0.00 C ATOM 0 H ALA A 100 -11.773 5.571 1.308 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.537 5.172 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.794 4.188 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.698 3.637 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.922 4.883 0.398 1.00 0.00 H new ATOM 1606 N GLN A 101 -13.204 7.798 -0.590 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.888 8.987 -1.085 1.00 0.00 C ATOM 1608 C GLN A 101 -12.907 9.937 -1.764 1.00 0.00 C ATOM 1609 O GLN A 101 -13.211 11.111 -1.978 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.600 9.706 0.063 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.960 9.115 0.400 1.00 0.00 C ATOM 1612 CD GLN A 101 -17.049 9.580 -0.545 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -16.871 9.581 -1.764 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -18.187 9.978 0.012 1.00 0.00 N ATOM 0 H GLN A 101 -12.941 7.841 0.395 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.627 8.670 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.968 9.671 0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.724 10.757 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.897 8.027 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.228 9.389 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.292 9.961 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.956 10.301 -0.575 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.729 9.422 -2.100 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.702 10.225 -2.754 1.00 0.00 C ATOM 1625 C CYS A 102 -10.454 11.520 -1.987 1.00 0.00 C ATOM 1626 O CYS A 102 -10.532 12.611 -2.551 1.00 0.00 O ATOM 1627 CB CYS A 102 -11.112 10.540 -4.193 1.00 0.00 C ATOM 1628 SG CYS A 102 -11.448 9.077 -5.202 1.00 0.00 S ATOM 0 H CYS A 102 -11.462 8.452 -1.930 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.777 9.649 -2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.002 11.169 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -10.320 11.121 -4.666 1.00 0.00 H new ATOM 0 HG CYS A 102 -11.788 9.446 -6.401 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.157 11.391 -0.699 1.00 0.00 N ATOM 1635 CA ALA A 103 -9.898 12.551 0.145 1.00 0.00 C ATOM 1636 C ALA A 103 -8.402 12.823 0.260 1.00 0.00 C ATOM 1637 O ALA A 103 -7.624 11.977 0.702 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.506 12.347 1.525 1.00 0.00 C ATOM 0 H ALA A 103 -10.090 10.495 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.365 13.419 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.305 13.221 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.583 12.209 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.066 11.464 1.989 1.00 0.00 H new ATOM 1644 N PRO A 104 -7.986 14.031 -0.149 1.00 0.00 N ATOM 1645 CA PRO A 104 -6.580 14.442 -0.102 1.00 0.00 C ATOM 1646 C PRO A 104 -6.082 14.645 1.325 1.00 0.00 C ATOM 1647 O PRO A 104 -6.705 15.354 2.114 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.572 15.769 -0.865 1.00 0.00 C ATOM 1649 CG PRO A 104 -7.959 16.294 -0.725 1.00 0.00 C ATOM 1650 CD PRO A 104 -8.857 15.089 -0.688 1.00 0.00 C ATOM 0 HA PRO A 104 -5.921 13.686 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.842 16.462 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.308 15.622 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.062 16.885 0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.215 16.946 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.727 15.256 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.230 14.835 -1.680 1.00 0.00 H new ATOM 1658 N GLY A 105 -4.956 14.018 1.649 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.394 14.144 2.982 1.00 0.00 C ATOM 1660 C GLY A 105 -4.691 12.939 3.852 1.00 0.00 C ATOM 1661 O GLY A 105 -3.787 12.362 4.455 1.00 0.00 O ATOM 0 H GLY A 105 -4.423 13.425 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.315 14.277 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.793 15.040 3.458 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.963 12.559 3.920 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.378 11.416 4.723 1.00 0.00 C ATOM 1667 C VAL A 106 -5.474 10.213 4.475 1.00 0.00 C ATOM 1668 O VAL A 106 -4.666 9.844 5.327 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.836 11.018 4.425 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.287 9.903 5.355 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.752 12.227 4.544 1.00 0.00 C ATOM 0 H VAL A 106 -6.724 13.027 3.428 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.299 11.719 5.767 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.891 10.648 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.319 9.636 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.648 9.031 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.218 10.241 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.778 11.928 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.694 12.629 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.441 12.991 3.832 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.616 9.605 3.302 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.812 8.444 2.940 1.00 0.00 C ATOM 1683 C VAL A 107 -3.329 8.706 3.182 1.00 0.00 C ATOM 1684 O VAL A 107 -2.581 7.800 3.546 1.00 0.00 O ATOM 1685 CB VAL A 107 -5.019 8.056 1.464 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.740 9.243 0.555 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.136 6.873 1.096 1.00 0.00 C ATOM 0 H VAL A 107 -6.281 9.897 2.586 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.141 7.621 3.574 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.059 7.761 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.892 8.949 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.418 10.059 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.710 9.572 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.295 6.612 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.090 7.138 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.390 6.020 1.725 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.913 9.952 2.977 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.519 10.332 3.173 1.00 0.00 C ATOM 1699 C GLU A 108 -1.057 9.997 4.588 1.00 0.00 C ATOM 1700 O GLU A 108 0.035 9.463 4.787 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.333 11.827 2.905 1.00 0.00 C ATOM 1702 CG GLU A 108 0.064 12.191 2.432 1.00 0.00 C ATOM 1703 CD GLU A 108 0.227 12.050 0.931 1.00 0.00 C ATOM 1704 OE1 GLU A 108 0.553 10.936 0.471 1.00 0.00 O ATOM 1705 OE2 GLU A 108 0.028 13.055 0.216 1.00 0.00 O ATOM 0 H GLU A 108 -3.520 10.714 2.676 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.912 9.765 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.056 12.146 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.555 12.381 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.286 13.218 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.791 11.553 2.934 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.896 10.314 5.569 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.575 10.047 6.967 1.00 0.00 C ATOM 1714 C LEU A 109 -1.298 8.564 7.188 1.00 0.00 C ATOM 1715 O LEU A 109 -0.678 8.179 8.179 1.00 0.00 O ATOM 1716 CB LEU A 109 -2.722 10.504 7.870 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.102 11.983 7.776 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.460 12.226 8.416 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.038 12.850 8.432 1.00 0.00 C ATOM 0 H LEU A 109 -2.803 10.756 5.422 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.675 10.607 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.603 9.907 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.455 10.283 8.903 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.165 12.256 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.714 13.283 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.216 11.633 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.424 11.936 9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.325 13.899 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.942 12.576 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.083 12.698 7.929 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.761 7.735 6.258 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.560 6.294 6.349 1.00 0.00 C ATOM 1733 C VAL A 110 -0.329 5.859 5.562 1.00 0.00 C ATOM 1734 O VAL A 110 0.208 4.772 5.779 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.787 5.522 5.829 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.829 4.122 6.422 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.067 6.282 6.144 1.00 0.00 C ATOM 0 H VAL A 110 -2.278 8.037 5.432 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.414 6.062 7.404 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.703 5.429 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.703 3.592 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.926 3.580 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.888 4.189 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.924 5.722 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.159 6.408 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.036 7.261 5.666 1.00 0.00 H new ATOM 1747 N LEU A 111 0.115 6.715 4.648 1.00 0.00 N ATOM 1748 CA LEU A 111 1.284 6.421 3.828 1.00 0.00 C ATOM 1749 C LEU A 111 2.572 6.704 4.594 1.00 0.00 C ATOM 1750 O LEU A 111 3.598 6.064 4.360 1.00 0.00 O ATOM 1751 CB LEU A 111 1.251 7.247 2.541 1.00 0.00 C ATOM 1752 CG LEU A 111 0.086 6.964 1.592 1.00 0.00 C ATOM 1753 CD1 LEU A 111 0.056 7.985 0.465 1.00 0.00 C ATOM 1754 CD2 LEU A 111 0.184 5.552 1.033 1.00 0.00 C ATOM 0 H LEU A 111 -0.318 7.619 4.456 1.00 0.00 H new ATOM 0 HA LEU A 111 1.260 5.362 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.225 8.303 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.183 7.079 2.001 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.844 7.046 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.780 7.768 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.063 8.985 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.989 7.935 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.653 5.368 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.120 5.441 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.155 4.834 1.852 1.00 0.00 H new ATOM 1766 N ILE A 112 2.511 7.664 5.510 1.00 0.00 N ATOM 1767 CA ILE A 112 3.671 8.029 6.313 1.00 0.00 C ATOM 1768 C ILE A 112 4.129 6.861 7.181 1.00 0.00 C ATOM 1769 O ILE A 112 5.269 6.405 7.100 1.00 0.00 O ATOM 1770 CB ILE A 112 3.372 9.239 7.218 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.712 10.542 6.491 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.151 9.133 8.520 1.00 0.00 C ATOM 1773 CD1 ILE A 112 3.229 11.780 7.214 1.00 0.00 C ATOM 0 H ILE A 112 1.670 8.203 5.715 1.00 0.00 H new ATOM 0 HA ILE A 112 4.466 8.294 5.616 1.00 0.00 H new ATOM 0 HB ILE A 112 2.308 9.243 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.792 10.605 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.272 10.518 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.929 9.996 9.148 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.864 8.220 9.042 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.219 9.107 8.304 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.504 12.666 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.145 11.739 7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.689 11.828 8.201 1.00 0.00 H new ATOM 1785 N PRO A 113 3.218 6.363 8.030 1.00 0.00 N ATOM 1786 CA PRO A 113 3.504 5.240 8.928 1.00 0.00 C ATOM 1787 C PRO A 113 3.666 3.923 8.176 1.00 0.00 C ATOM 1788 O PRO A 113 4.480 3.078 8.552 1.00 0.00 O ATOM 1789 CB PRO A 113 2.273 5.189 9.836 1.00 0.00 C ATOM 1790 CG PRO A 113 1.182 5.805 9.029 1.00 0.00 C ATOM 1791 CD PRO A 113 1.839 6.857 8.180 1.00 0.00 C ATOM 0 HA PRO A 113 4.442 5.377 9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.029 4.164 10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.440 5.740 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.685 5.058 8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.420 6.243 9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.343 6.962 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.813 7.835 8.660 1.00 0.00 H new ATOM 1799 N LEU A 114 2.889 3.755 7.112 1.00 0.00 N ATOM 1800 CA LEU A 114 2.947 2.541 6.306 1.00 0.00 C ATOM 1801 C LEU A 114 4.385 2.215 5.915 1.00 0.00 C ATOM 1802 O LEU A 114 4.907 1.155 6.262 1.00 0.00 O ATOM 1803 CB LEU A 114 2.089 2.698 5.049 1.00 0.00 C ATOM 1804 CG LEU A 114 2.212 1.585 4.008 1.00 0.00 C ATOM 1805 CD1 LEU A 114 1.386 0.376 4.419 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.783 2.086 2.637 1.00 0.00 C ATOM 0 H LEU A 114 2.211 4.444 6.787 1.00 0.00 H new ATOM 0 HA LEU A 114 2.557 1.718 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.045 2.770 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.348 3.644 4.573 1.00 0.00 H new ATOM 0 HG LEU A 114 3.257 1.282 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.486 -0.406 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.741 0.002 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.338 0.664 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.877 1.280 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.745 2.417 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.418 2.920 2.339 1.00 0.00 H new ATOM 1818 N ARG A 115 5.020 3.133 5.195 1.00 0.00 N ATOM 1819 CA ARG A 115 6.398 2.943 4.759 1.00 0.00 C ATOM 1820 C ARG A 115 7.310 2.654 5.948 1.00 0.00 C ATOM 1821 O ARG A 115 8.187 1.795 5.874 1.00 0.00 O ATOM 1822 CB ARG A 115 6.894 4.183 4.011 1.00 0.00 C ATOM 1823 CG ARG A 115 6.882 5.448 4.854 1.00 0.00 C ATOM 1824 CD ARG A 115 7.513 6.616 4.114 1.00 0.00 C ATOM 1825 NE ARG A 115 7.242 7.891 4.772 1.00 0.00 N ATOM 1826 CZ ARG A 115 7.911 8.327 5.834 1.00 0.00 C ATOM 1827 NH1 ARG A 115 8.885 7.593 6.355 1.00 0.00 N ATOM 1828 NH2 ARG A 115 7.606 9.498 6.377 1.00 0.00 N ATOM 0 H ARG A 115 4.602 4.016 4.901 1.00 0.00 H new ATOM 0 HA ARG A 115 6.425 2.086 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 115 7.909 4.002 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.272 4.338 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.856 5.698 5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 115 7.421 5.271 5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.590 6.464 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.132 6.647 3.093 1.00 0.00 H new ATOM 0 HE ARG A 115 6.498 8.479 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.122 6.692 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 115 9.397 7.930 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 115 6.857 10.065 5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 115 8.120 9.832 7.192 1.00 0.00 H new ATOM 1842 N GLN A 116 7.095 3.379 7.041 1.00 0.00 N ATOM 1843 CA GLN A 116 7.899 3.200 8.245 1.00 0.00 C ATOM 1844 C GLN A 116 7.900 1.741 8.687 1.00 0.00 C ATOM 1845 O GLN A 116 8.899 1.239 9.203 1.00 0.00 O ATOM 1846 CB GLN A 116 7.369 4.087 9.373 1.00 0.00 C ATOM 1847 CG GLN A 116 7.842 5.528 9.288 1.00 0.00 C ATOM 1848 CD GLN A 116 7.649 6.284 10.588 1.00 0.00 C ATOM 1849 OE1 GLN A 116 7.357 5.691 11.626 1.00 0.00 O ATOM 1850 NE2 GLN A 116 7.813 7.601 10.537 1.00 0.00 N ATOM 0 H GLN A 116 6.372 4.095 7.118 1.00 0.00 H new ATOM 0 HA GLN A 116 8.924 3.491 8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.279 4.070 9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.679 3.667 10.330 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.897 5.544 9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.300 6.038 8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.055 8.051 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.697 8.162 11.381 1.00 0.00 H new ATOM 1859 N ARG A 117 6.775 1.064 8.481 1.00 0.00 N ATOM 1860 CA ARG A 117 6.646 -0.338 8.860 1.00 0.00 C ATOM 1861 C ARG A 117 7.379 -1.238 7.869 1.00 0.00 C ATOM 1862 O ARG A 117 8.027 -2.210 8.259 1.00 0.00 O ATOM 1863 CB ARG A 117 5.171 -0.736 8.932 1.00 0.00 C ATOM 1864 CG ARG A 117 4.470 -0.248 10.189 1.00 0.00 C ATOM 1865 CD ARG A 117 4.896 -1.047 11.411 1.00 0.00 C ATOM 1866 NE ARG A 117 4.459 -2.438 11.334 1.00 0.00 N ATOM 1867 CZ ARG A 117 4.631 -3.318 12.315 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.226 -2.952 13.441 1.00 0.00 N ATOM 1869 NH2 ARG A 117 4.206 -4.567 12.170 1.00 0.00 N ATOM 0 H ARG A 117 5.940 1.464 8.054 1.00 0.00 H new ATOM 0 HA ARG A 117 7.098 -0.465 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.653 -0.338 8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.093 -1.822 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.695 0.807 10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.391 -0.328 10.059 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.981 -1.013 11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.482 -0.586 12.308 1.00 0.00 H new ATOM 0 HE ARG A 117 3.996 -2.752 10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.553 -1.993 13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.357 -3.629 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.747 -4.852 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.339 -5.242 12.924 1.00 0.00 H new ATOM 1883 N LEU A 118 7.270 -0.909 6.587 1.00 0.00 N ATOM 1884 CA LEU A 118 7.922 -1.688 5.539 1.00 0.00 C ATOM 1885 C LEU A 118 9.440 -1.583 5.647 1.00 0.00 C ATOM 1886 O LEU A 118 10.159 -2.539 5.358 1.00 0.00 O ATOM 1887 CB LEU A 118 7.463 -1.209 4.160 1.00 0.00 C ATOM 1888 CG LEU A 118 6.040 -1.598 3.754 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.610 -0.828 2.516 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.946 -3.097 3.513 1.00 0.00 C ATOM 0 H LEU A 118 6.737 -0.109 6.248 1.00 0.00 H new ATOM 0 HA LEU A 118 7.639 -2.733 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.544 -0.122 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.153 -1.601 3.413 1.00 0.00 H new ATOM 0 HG LEU A 118 5.365 -1.339 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.596 -1.117 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.638 0.241 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.287 -1.055 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.927 -3.356 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.632 -3.381 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.212 -3.630 4.426 1.00 0.00 H new ATOM 1902 N GLU A 119 9.919 -0.417 6.067 1.00 0.00 N ATOM 1903 CA GLU A 119 11.352 -0.189 6.214 1.00 0.00 C ATOM 1904 C GLU A 119 11.929 -1.056 7.329 1.00 0.00 C ATOM 1905 O GLU A 119 13.106 -1.413 7.305 1.00 0.00 O ATOM 1906 CB GLU A 119 11.629 1.288 6.505 1.00 0.00 C ATOM 1907 CG GLU A 119 11.385 2.199 5.314 1.00 0.00 C ATOM 1908 CD GLU A 119 12.603 2.328 4.420 1.00 0.00 C ATOM 1909 OE1 GLU A 119 13.563 3.020 4.821 1.00 0.00 O ATOM 1910 OE2 GLU A 119 12.598 1.738 3.320 1.00 0.00 O ATOM 0 H GLU A 119 9.337 0.384 6.311 1.00 0.00 H new ATOM 0 HA GLU A 119 11.836 -0.464 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.999 1.611 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.664 1.398 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.550 1.812 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.094 3.187 5.671 1.00 0.00 H new ATOM 1917 N GLU A 120 11.090 -1.389 8.306 1.00 0.00 N ATOM 1918 CA GLU A 120 11.518 -2.212 9.431 1.00 0.00 C ATOM 1919 C GLU A 120 11.224 -3.687 9.168 1.00 0.00 C ATOM 1920 O GLU A 120 11.775 -4.567 9.829 1.00 0.00 O ATOM 1921 CB GLU A 120 10.819 -1.762 10.715 1.00 0.00 C ATOM 1922 CG GLU A 120 11.642 -1.997 11.970 1.00 0.00 C ATOM 1923 CD GLU A 120 10.807 -1.939 13.235 1.00 0.00 C ATOM 1924 OE1 GLU A 120 9.848 -2.731 13.350 1.00 0.00 O ATOM 1925 OE2 GLU A 120 11.113 -1.102 14.110 1.00 0.00 O ATOM 0 H GLU A 120 10.112 -1.102 8.341 1.00 0.00 H new ATOM 0 HA GLU A 120 12.595 -2.089 9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.584 -0.700 10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.871 -2.292 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.128 -2.970 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.433 -1.249 12.027 1.00 0.00 H new ATOM 1932 N ARG A 121 10.352 -3.947 8.200 1.00 0.00 N ATOM 1933 CA ARG A 121 9.983 -5.314 7.851 1.00 0.00 C ATOM 1934 C ARG A 121 10.979 -5.910 6.860 1.00 0.00 C ATOM 1935 O ARG A 121 11.311 -7.092 6.936 1.00 0.00 O ATOM 1936 CB ARG A 121 8.574 -5.348 7.256 1.00 0.00 C ATOM 1937 CG ARG A 121 7.480 -5.538 8.294 1.00 0.00 C ATOM 1938 CD ARG A 121 7.185 -7.011 8.529 1.00 0.00 C ATOM 1939 NE ARG A 121 6.814 -7.699 7.295 1.00 0.00 N ATOM 1940 CZ ARG A 121 6.416 -8.965 7.251 1.00 0.00 C ATOM 1941 NH1 ARG A 121 6.337 -9.678 8.366 1.00 0.00 N ATOM 1942 NH2 ARG A 121 6.096 -9.521 6.089 1.00 0.00 N ATOM 0 H ARG A 121 9.888 -3.229 7.643 1.00 0.00 H new ATOM 0 HA ARG A 121 10.001 -5.912 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.394 -4.418 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.516 -6.156 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.782 -5.072 9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.572 -5.032 7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 121 8.062 -7.492 8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 121 6.377 -7.108 9.255 1.00 0.00 H new ATOM 0 HE ARG A 121 6.863 -7.178 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.582 -9.254 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.031 -10.650 8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 121 6.156 -8.976 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.790 -10.494 6.056 1.00 0.00 H new ATOM 1956 N GLN A 122 11.451 -5.082 5.933 1.00 0.00 N ATOM 1957 CA GLN A 122 12.408 -5.528 4.928 1.00 0.00 C ATOM 1958 C GLN A 122 13.450 -6.457 5.542 1.00 0.00 C ATOM 1959 O GLN A 122 13.942 -7.375 4.886 1.00 0.00 O ATOM 1960 CB GLN A 122 13.098 -4.326 4.281 1.00 0.00 C ATOM 1961 CG GLN A 122 14.313 -3.834 5.051 1.00 0.00 C ATOM 1962 CD GLN A 122 14.679 -2.403 4.711 1.00 0.00 C ATOM 1963 OE1 GLN A 122 13.812 -1.533 4.621 1.00 0.00 O ATOM 1964 NE2 GLN A 122 15.969 -2.151 4.520 1.00 0.00 N ATOM 0 H GLN A 122 11.186 -4.100 5.858 1.00 0.00 H new ATOM 0 HA GLN A 122 11.862 -6.080 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 122 13.403 -4.594 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 122 12.380 -3.510 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.116 -3.910 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 122 15.162 -4.483 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 122 16.653 -2.903 4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 122 16.275 -1.206 4.289 1.00 0.00 H new