USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1065 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 660 SER OG : rot 174:sc= 1.23 USER MOD Set 1.2: B 666 THR OG1 : rot -80:sc= 1.51 USER MOD Set 2.1: B 631 GLN : amide:sc= 0.515 K(o=-0.71,f=-5.6!) USER MOD Set 2.2: B 640 GLN : amide:sc= -1.23 K(o=-0.71,f=-5.6) USER MOD Single : A 38 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 39 SER OG : rot 58:sc= 1.2 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0622 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 570 THR OG1 : rot 35:sc= 0.021 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl 167:sc= -0.258 (180deg=-0.627) USER MOD Single : B 577 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0.678) USER MOD Single : B 579 SER OG : rot 88:sc= -0.371! USER MOD Single : B 582 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5.2!) USER MOD Single : B 585 ASN : amide:sc= -4.18! C(o=-4.2!,f=-9.4!) USER MOD Single : B 589 LYS NZ :NH3+ 140:sc= 1.68 (180deg=-1.28) USER MOD Single : B 590 LYS NZ :NH3+ 149:sc= 0.488 (180deg=0.123) USER MOD Single : B 595 LYS NZ :NH3+ -122:sc= 0.11 (180deg=-0.13) USER MOD Single : B 596 THR OG1 : rot -71:sc= -1.3! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 116:sc= 0.411 USER MOD Single : B 606 SER OG : rot 36:sc= 0.253 USER MOD Single : B 607 ASN : amide:sc= 0.0204 X(o=0.02,f=0) USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 31:sc= 0.155 USER MOD Single : B 614 SER OG : rot 90:sc= -0.173 USER MOD Single : B 615 THR OG1 : rot 180:sc= -0.205 USER MOD Single : B 622 SER OG : rot -154:sc=0.000662 USER MOD Single : B 623 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 642 SER OG : rot 48:sc= 0.468 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN : amide:sc= -15.7! C(o=-16!,f=-19!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.398 USER MOD Single : B 661 CYS SG : rot 78:sc= 0.0224 USER MOD Single : B 662 CYS SG : rot 180:sc= 0.119 USER MOD Single : B 667 SER OG : rot -91:sc= 1.25 USER MOD Single : B 668 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 674 CYS SG : rot 50:sc= -1.29 USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ -169:sc=-0.00799 (180deg=-0.136) USER MOD Single : B 678 SER OG : rot 15:sc= 1.21 USER MOD Single : B 683 CYS SG : rot 114:sc= -0.997! USER MOD Single : B 685 SER OG : rot 180:sc= -0.39 USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -18.345 -4.040 -5.234 1.00 0.00 N ATOM 2 CA VAL A 34 -17.007 -4.102 -4.599 1.00 0.00 C ATOM 3 C VAL A 34 -15.914 -3.799 -5.601 1.00 0.00 C ATOM 4 O VAL A 34 -16.163 -3.694 -6.801 1.00 0.00 O ATOM 5 CB VAL A 34 -16.695 -5.493 -4.011 1.00 0.00 C ATOM 6 CG1 VAL A 34 -17.640 -5.850 -2.885 1.00 0.00 C ATOM 7 CG2 VAL A 34 -16.730 -6.552 -5.098 1.00 0.00 C ATOM 0 HA VAL A 34 -17.032 -3.360 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.689 -5.456 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.388 -6.837 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -17.550 -5.113 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.664 -5.858 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.507 -7.527 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.721 -6.575 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.987 -6.316 -5.860 1.00 0.00 H new ATOM 19 N PHE A 35 -14.705 -3.664 -5.088 1.00 0.00 N ATOM 20 CA PHE A 35 -13.514 -3.595 -5.912 1.00 0.00 C ATOM 21 C PHE A 35 -12.542 -4.672 -5.463 1.00 0.00 C ATOM 22 O PHE A 35 -12.392 -4.905 -4.259 1.00 0.00 O ATOM 23 CB PHE A 35 -12.856 -2.216 -5.812 1.00 0.00 C ATOM 24 CG PHE A 35 -13.466 -1.197 -6.730 1.00 0.00 C ATOM 25 CD1 PHE A 35 -14.810 -0.893 -6.643 1.00 0.00 C ATOM 26 CD2 PHE A 35 -12.699 -0.556 -7.688 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.382 0.029 -7.491 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.265 0.369 -8.543 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.608 0.664 -8.443 1.00 0.00 C ATOM 0 H PHE A 35 -14.522 -3.599 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.792 -3.756 -6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.931 -1.860 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.794 -2.311 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.421 -1.385 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.646 -0.782 -7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.435 0.256 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.657 0.860 -9.288 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.054 1.390 -9.107 1.00 0.00 H new ATOM 39 N PRO A 36 -11.913 -5.374 -6.424 1.00 0.00 N ATOM 40 CA PRO A 36 -10.876 -6.365 -6.130 1.00 0.00 C ATOM 41 C PRO A 36 -9.844 -5.796 -5.171 1.00 0.00 C ATOM 42 O PRO A 36 -9.303 -4.717 -5.416 1.00 0.00 O ATOM 43 CB PRO A 36 -10.249 -6.636 -7.497 1.00 0.00 C ATOM 44 CG PRO A 36 -11.332 -6.350 -8.476 1.00 0.00 C ATOM 45 CD PRO A 36 -12.172 -5.258 -7.873 1.00 0.00 C ATOM 0 HA PRO A 36 -11.268 -7.263 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.382 -5.997 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.906 -7.667 -7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.917 -6.037 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.931 -7.241 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.886 -4.277 -8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.229 -5.393 -8.103 1.00 0.00 H new ATOM 53 N TRP A 37 -9.579 -6.531 -4.088 1.00 0.00 N ATOM 54 CA TRP A 37 -8.824 -6.009 -2.955 1.00 0.00 C ATOM 55 C TRP A 37 -7.512 -5.338 -3.361 1.00 0.00 C ATOM 56 O TRP A 37 -7.056 -4.416 -2.686 1.00 0.00 O ATOM 57 CB TRP A 37 -8.567 -7.089 -1.903 1.00 0.00 C ATOM 58 CG TRP A 37 -7.918 -8.345 -2.411 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.520 -9.360 -3.097 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.553 -8.739 -2.236 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.616 -10.356 -3.359 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.401 -9.998 -2.840 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.443 -8.149 -1.628 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.189 -10.675 -2.849 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.238 -8.826 -1.646 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.123 -10.077 -2.252 1.00 0.00 C ATOM 0 H TRP A 37 -9.881 -7.499 -3.976 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.454 -5.235 -2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.937 -6.666 -1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.517 -7.354 -1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.559 -9.376 -3.391 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.816 -11.222 -3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.524 -7.183 -1.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.096 -11.645 -3.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.371 -8.379 -1.183 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.168 -10.581 -2.247 1.00 0.00 H new ATOM 77 N HIS A 38 -6.894 -5.805 -4.445 1.00 0.00 N ATOM 78 CA HIS A 38 -5.738 -5.121 -5.003 1.00 0.00 C ATOM 79 C HIS A 38 -6.158 -3.799 -5.658 1.00 0.00 C ATOM 80 O HIS A 38 -6.203 -3.667 -6.878 1.00 0.00 O ATOM 81 CB HIS A 38 -4.996 -6.019 -6.000 1.00 0.00 C ATOM 82 CG HIS A 38 -5.831 -6.541 -7.140 1.00 0.00 C ATOM 83 ND1 HIS A 38 -5.721 -6.075 -8.433 1.00 0.00 N ATOM 84 CD2 HIS A 38 -6.761 -7.523 -7.179 1.00 0.00 C ATOM 85 CE1 HIS A 38 -6.546 -6.746 -9.213 1.00 0.00 C ATOM 86 NE2 HIS A 38 -7.189 -7.630 -8.477 1.00 0.00 N ATOM 0 H HIS A 38 -7.174 -6.647 -4.948 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.051 -4.893 -4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.156 -5.460 -6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.578 -6.868 -5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.103 -8.114 -6.342 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.673 -6.596 -10.275 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.891 -8.287 -8.818 1.00 0.00 H new ATOM 95 N SER A 39 -6.478 -2.830 -4.824 1.00 0.00 N ATOM 96 CA SER A 39 -6.957 -1.541 -5.291 1.00 0.00 C ATOM 97 C SER A 39 -6.223 -0.402 -4.580 1.00 0.00 C ATOM 98 O SER A 39 -5.986 0.661 -5.152 1.00 0.00 O ATOM 99 CB SER A 39 -8.467 -1.454 -5.039 1.00 0.00 C ATOM 100 OG SER A 39 -8.993 -0.209 -5.452 1.00 0.00 O ATOM 0 H SER A 39 -6.415 -2.911 -3.809 1.00 0.00 H new ATOM 0 HA SER A 39 -6.760 -1.444 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.972 -2.258 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.668 -1.601 -3.978 1.00 0.00 H new ATOM 0 HG SER A 39 -8.806 -0.074 -6.404 1.00 0.00 H new ATOM 106 N LEU A 40 -5.847 -0.651 -3.336 1.00 0.00 N ATOM 107 CA LEU A 40 -5.211 0.352 -2.484 1.00 0.00 C ATOM 108 C LEU A 40 -3.813 -0.101 -2.099 1.00 0.00 C ATOM 109 O LEU A 40 -3.187 0.470 -1.215 1.00 0.00 O ATOM 110 CB LEU A 40 -6.050 0.560 -1.221 1.00 0.00 C ATOM 111 CG LEU A 40 -7.181 -0.459 -1.030 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.483 -0.657 0.439 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.440 -0.010 -1.762 1.00 0.00 C ATOM 0 H LEU A 40 -5.973 -1.556 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.141 1.291 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.392 0.520 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.481 1.561 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.850 -1.409 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.288 -1.383 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.591 -1.023 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.788 0.293 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.229 -0.747 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.765 0.954 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.228 0.085 -2.827 1.00 0.00 H new ATOM 125 N VAL A 41 -3.330 -1.144 -2.759 1.00 0.00 N ATOM 126 CA VAL A 41 -2.034 -1.698 -2.454 1.00 0.00 C ATOM 127 C VAL A 41 -1.047 -1.435 -3.597 1.00 0.00 C ATOM 128 O VAL A 41 -1.038 -2.135 -4.612 1.00 0.00 O ATOM 129 CB VAL A 41 -2.141 -3.211 -2.148 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.851 -3.971 -3.266 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.769 -3.789 -1.892 1.00 0.00 C ATOM 0 H VAL A 41 -3.826 -1.621 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.653 -1.202 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.747 -3.326 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.904 -5.029 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.860 -3.577 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.297 -3.850 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.857 -4.854 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.144 -3.647 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.315 -3.284 -1.040 1.00 0.00 H new ATOM 141 N PRO A 42 -0.226 -0.389 -3.463 1.00 0.00 N ATOM 142 CA PRO A 42 0.792 -0.058 -4.441 1.00 0.00 C ATOM 143 C PRO A 42 2.058 -0.864 -4.207 1.00 0.00 C ATOM 144 O PRO A 42 2.850 -0.551 -3.318 1.00 0.00 O ATOM 145 CB PRO A 42 1.056 1.440 -4.213 1.00 0.00 C ATOM 146 CG PRO A 42 0.235 1.836 -3.024 1.00 0.00 C ATOM 147 CD PRO A 42 -0.212 0.564 -2.357 1.00 0.00 C ATOM 0 HA PRO A 42 0.476 -0.282 -5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.115 1.625 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.775 2.022 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.820 2.447 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.624 2.434 -3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.474 0.258 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.196 0.670 -1.901 1.00 0.00 H new ATOM 155 N PHE A 43 2.220 -1.927 -4.980 1.00 0.00 N ATOM 156 CA PHE A 43 3.431 -2.728 -4.926 1.00 0.00 C ATOM 157 C PHE A 43 4.644 -1.853 -5.216 1.00 0.00 C ATOM 158 O PHE A 43 4.725 -1.218 -6.272 1.00 0.00 O ATOM 159 CB PHE A 43 3.343 -3.904 -5.909 1.00 0.00 C ATOM 160 CG PHE A 43 2.665 -3.577 -7.212 1.00 0.00 C ATOM 161 CD1 PHE A 43 3.390 -3.108 -8.294 1.00 0.00 C ATOM 162 CD2 PHE A 43 1.295 -3.744 -7.348 1.00 0.00 C ATOM 163 CE1 PHE A 43 2.762 -2.810 -9.489 1.00 0.00 C ATOM 164 CE2 PHE A 43 0.663 -3.449 -8.538 1.00 0.00 C ATOM 165 CZ PHE A 43 1.398 -2.981 -9.610 1.00 0.00 C ATOM 0 H PHE A 43 1.527 -2.254 -5.653 1.00 0.00 H new ATOM 0 HA PHE A 43 3.540 -3.143 -3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.351 -4.263 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.806 -4.723 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.458 -2.973 -8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.716 -4.109 -6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.338 -2.444 -10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.404 -3.584 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.905 -2.749 -10.543 1.00 0.00 H new ATOM 175 N LEU A 44 5.561 -1.793 -4.260 1.00 0.00 N ATOM 176 CA LEU A 44 6.708 -0.905 -4.366 1.00 0.00 C ATOM 177 C LEU A 44 7.628 -1.351 -5.506 1.00 0.00 C ATOM 178 O LEU A 44 8.218 -2.432 -5.483 1.00 0.00 O ATOM 179 CB LEU A 44 7.448 -0.762 -3.000 1.00 0.00 C ATOM 180 CG LEU A 44 8.351 -1.917 -2.515 1.00 0.00 C ATOM 181 CD1 LEU A 44 7.722 -3.271 -2.794 1.00 0.00 C ATOM 182 CD2 LEU A 44 9.750 -1.808 -3.120 1.00 0.00 C ATOM 0 H LEU A 44 5.532 -2.348 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 44 6.354 0.095 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.062 0.137 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.693 -0.590 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 44 8.452 -1.830 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.385 -4.060 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.765 -3.341 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.564 -3.385 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.366 -2.633 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.681 -1.851 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.202 -0.862 -2.823 1.00 0.00 H new ATOM 194 N ALA A 45 7.669 -0.532 -6.542 1.00 0.00 N ATOM 195 CA ALA A 45 8.536 -0.771 -7.693 1.00 0.00 C ATOM 196 C ALA A 45 8.228 -2.148 -8.312 1.00 0.00 C ATOM 197 O ALA A 45 7.180 -2.728 -8.021 1.00 0.00 O ATOM 198 CB ALA A 45 9.991 -0.654 -7.244 1.00 0.00 C ATOM 0 H ALA A 45 7.106 0.316 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 45 8.355 -0.026 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.650 -0.830 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.170 0.345 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.193 -1.393 -6.469 1.00 0.00 H new ATOM 204 N PRO A 46 9.077 -2.692 -9.207 1.00 0.00 N ATOM 205 CA PRO A 46 8.979 -4.103 -9.597 1.00 0.00 C ATOM 206 C PRO A 46 9.563 -5.031 -8.524 1.00 0.00 C ATOM 207 O PRO A 46 9.899 -6.184 -8.803 1.00 0.00 O ATOM 208 CB PRO A 46 9.806 -4.190 -10.891 1.00 0.00 C ATOM 209 CG PRO A 46 10.119 -2.779 -11.268 1.00 0.00 C ATOM 210 CD PRO A 46 10.113 -2.001 -9.987 1.00 0.00 C ATOM 0 HA PRO A 46 7.944 -4.419 -9.727 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.719 -4.765 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.246 -4.691 -11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.089 -2.712 -11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.379 -2.388 -11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.083 -2.028 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.868 -0.951 -10.150 1.00 0.00 H new ATOM 218 N SER A 47 9.654 -4.515 -7.295 1.00 0.00 N ATOM 219 CA SER A 47 10.273 -5.216 -6.174 1.00 0.00 C ATOM 220 C SER A 47 11.755 -5.471 -6.451 1.00 0.00 C ATOM 221 O SER A 47 12.601 -4.642 -6.119 1.00 0.00 O ATOM 222 CB SER A 47 9.524 -6.519 -5.853 1.00 0.00 C ATOM 223 OG SER A 47 10.094 -7.191 -4.742 1.00 0.00 O ATOM 0 H SER A 47 9.296 -3.591 -7.051 1.00 0.00 H new ATOM 0 HA SER A 47 10.204 -4.579 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.477 -6.296 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.544 -7.174 -6.724 1.00 0.00 H new ATOM 0 HG SER A 47 9.592 -8.014 -4.565 1.00 0.00 H new ATOM 229 N GLN A 48 12.073 -6.586 -7.088 1.00 0.00 N ATOM 230 CA GLN A 48 13.439 -6.907 -7.394 1.00 0.00 C ATOM 231 C GLN A 48 13.582 -7.195 -8.883 1.00 0.00 C ATOM 232 O GLN A 48 13.500 -8.376 -9.279 1.00 0.00 O ATOM 233 CB GLN A 48 13.900 -8.100 -6.558 1.00 0.00 C ATOM 234 CG GLN A 48 15.381 -8.374 -6.681 1.00 0.00 C ATOM 235 CD GLN A 48 15.843 -9.516 -5.797 1.00 0.00 C ATOM 236 OE1 GLN A 48 16.231 -9.310 -4.647 1.00 0.00 O ATOM 237 NE2 GLN A 48 15.810 -10.727 -6.327 1.00 0.00 N ATOM 238 OXT GLN A 48 13.743 -6.232 -9.659 1.00 0.00 O ATOM 0 H GLN A 48 11.394 -7.280 -7.400 1.00 0.00 H new ATOM 0 HA GLN A 48 14.073 -6.056 -7.146 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.656 -7.918 -5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.346 -8.987 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.618 -8.606 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.935 -7.472 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.482 -10.856 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.113 -11.532 -5.779 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -28.663 14.964 -2.049 1.00 0.00 N ATOM 249 CA ALA B 567 -27.777 13.791 -2.221 1.00 0.00 C ATOM 250 C ALA B 567 -26.395 14.076 -1.643 1.00 0.00 C ATOM 251 O ALA B 567 -25.855 15.169 -1.817 1.00 0.00 O ATOM 252 CB ALA B 567 -27.671 13.423 -3.692 1.00 0.00 C ATOM 0 HA ALA B 567 -28.208 12.948 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -27.016 12.559 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -28.661 13.181 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -27.259 14.265 -4.249 1.00 0.00 H new ATOM 258 N PRO B 568 -25.807 13.093 -0.944 1.00 0.00 N ATOM 259 CA PRO B 568 -24.498 13.247 -0.306 1.00 0.00 C ATOM 260 C PRO B 568 -23.352 13.170 -1.313 1.00 0.00 C ATOM 261 O PRO B 568 -23.485 12.546 -2.369 1.00 0.00 O ATOM 262 CB PRO B 568 -24.444 12.061 0.659 1.00 0.00 C ATOM 263 CG PRO B 568 -25.289 11.015 0.018 1.00 0.00 C ATOM 264 CD PRO B 568 -26.373 11.747 -0.728 1.00 0.00 C ATOM 0 HA PRO B 568 -24.385 14.217 0.178 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -23.421 11.712 0.801 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -24.828 12.333 1.642 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -24.698 10.399 -0.660 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -25.715 10.347 0.766 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -26.610 11.257 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -27.297 11.790 -0.151 1.00 0.00 H new ATOM 272 N PRO B 569 -22.213 13.811 -1.004 1.00 0.00 N ATOM 273 CA PRO B 569 -21.036 13.798 -1.875 1.00 0.00 C ATOM 274 C PRO B 569 -20.341 12.439 -1.872 1.00 0.00 C ATOM 275 O PRO B 569 -19.374 12.219 -1.141 1.00 0.00 O ATOM 276 CB PRO B 569 -20.131 14.873 -1.269 1.00 0.00 C ATOM 277 CG PRO B 569 -20.517 14.926 0.170 1.00 0.00 C ATOM 278 CD PRO B 569 -21.986 14.602 0.222 1.00 0.00 C ATOM 0 HA PRO B 569 -21.291 13.986 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -19.078 14.617 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -20.281 15.837 -1.755 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -19.939 14.210 0.755 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -20.321 15.913 0.590 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -22.240 14.035 1.117 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -22.595 15.506 0.234 1.00 0.00 H new ATOM 286 N THR B 570 -20.856 11.525 -2.683 1.00 0.00 N ATOM 287 CA THR B 570 -20.330 10.175 -2.751 1.00 0.00 C ATOM 288 C THR B 570 -18.921 10.148 -3.334 1.00 0.00 C ATOM 289 O THR B 570 -18.654 10.736 -4.386 1.00 0.00 O ATOM 290 CB THR B 570 -21.252 9.268 -3.584 1.00 0.00 C ATOM 291 OG1 THR B 570 -21.618 9.927 -4.805 1.00 0.00 O ATOM 292 CG2 THR B 570 -22.503 8.902 -2.802 1.00 0.00 C ATOM 0 H THR B 570 -21.644 11.700 -3.307 1.00 0.00 H new ATOM 0 HA THR B 570 -20.286 9.798 -1.729 1.00 0.00 H new ATOM 0 HB THR B 570 -20.709 8.352 -3.816 1.00 0.00 H new ATOM 0 HG1 THR B 570 -20.866 10.469 -5.122 1.00 0.00 H new ATOM 0 HG21 THR B 570 -23.139 8.260 -3.412 1.00 0.00 H new ATOM 0 HG22 THR B 570 -22.221 8.373 -1.891 1.00 0.00 H new ATOM 0 HG23 THR B 570 -23.047 9.810 -2.541 1.00 0.00 H new ATOM 300 N LEU B 571 -18.022 9.479 -2.630 1.00 0.00 N ATOM 301 CA LEU B 571 -16.662 9.316 -3.067 1.00 0.00 C ATOM 302 C LEU B 571 -16.557 8.160 -4.053 1.00 0.00 C ATOM 303 O LEU B 571 -17.469 7.338 -4.148 1.00 0.00 O ATOM 304 CB LEU B 571 -15.799 9.036 -1.848 1.00 0.00 C ATOM 305 CG LEU B 571 -15.731 10.164 -0.822 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.968 9.704 0.403 1.00 0.00 C ATOM 307 CD2 LEU B 571 -15.079 11.399 -1.426 1.00 0.00 C ATOM 0 H LEU B 571 -18.226 9.034 -1.735 1.00 0.00 H new ATOM 0 HA LEU B 571 -16.324 10.223 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -16.177 8.141 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.787 8.812 -2.184 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.746 10.428 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -14.924 10.515 1.130 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -15.474 8.846 0.846 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -13.956 9.419 0.116 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -15.040 12.192 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -14.067 11.155 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -15.662 11.736 -2.283 1.00 0.00 H new ATOM 319 N PRO B 572 -15.453 8.088 -4.808 1.00 0.00 N ATOM 320 CA PRO B 572 -15.196 6.977 -5.718 1.00 0.00 C ATOM 321 C PRO B 572 -14.939 5.678 -4.955 1.00 0.00 C ATOM 322 O PRO B 572 -14.260 5.668 -3.931 1.00 0.00 O ATOM 323 CB PRO B 572 -13.949 7.407 -6.502 1.00 0.00 C ATOM 324 CG PRO B 572 -13.774 8.860 -6.206 1.00 0.00 C ATOM 325 CD PRO B 572 -14.378 9.084 -4.852 1.00 0.00 C ATOM 0 HA PRO B 572 -16.048 6.774 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.074 6.835 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.079 7.237 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.719 9.135 -6.213 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.268 9.474 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.651 8.930 -4.054 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -14.762 10.098 -4.743 1.00 0.00 H new ATOM 333 N PRO B 573 -15.488 4.572 -5.459 1.00 0.00 N ATOM 334 CA PRO B 573 -15.458 3.267 -4.786 1.00 0.00 C ATOM 335 C PRO B 573 -14.140 2.517 -4.965 1.00 0.00 C ATOM 336 O PRO B 573 -13.979 1.405 -4.468 1.00 0.00 O ATOM 337 CB PRO B 573 -16.582 2.519 -5.482 1.00 0.00 C ATOM 338 CG PRO B 573 -16.554 3.054 -6.866 1.00 0.00 C ATOM 339 CD PRO B 573 -16.180 4.502 -6.752 1.00 0.00 C ATOM 0 HA PRO B 573 -15.565 3.366 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.417 1.442 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.543 2.702 -5.001 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.831 2.513 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.526 2.940 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.534 4.816 -7.572 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.058 5.147 -6.774 1.00 0.00 H new ATOM 347 N TYR B 574 -13.228 3.115 -5.714 1.00 0.00 N ATOM 348 CA TYR B 574 -11.931 2.496 -5.999 1.00 0.00 C ATOM 349 C TYR B 574 -11.129 2.201 -4.733 1.00 0.00 C ATOM 350 O TYR B 574 -11.102 1.062 -4.266 1.00 0.00 O ATOM 351 CB TYR B 574 -11.140 3.364 -6.978 1.00 0.00 C ATOM 352 CG TYR B 574 -9.833 2.770 -7.464 1.00 0.00 C ATOM 353 CD1 TYR B 574 -9.765 1.463 -7.925 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.672 3.529 -7.481 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.575 0.926 -8.381 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.479 3.002 -7.934 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.435 1.699 -8.382 1.00 0.00 C ATOM 358 OH TYR B 574 -6.245 1.170 -8.834 1.00 0.00 O ATOM 0 H TYR B 574 -13.357 4.033 -6.140 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.122 1.529 -6.464 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.769 3.571 -7.843 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.929 4.321 -6.500 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -10.657 0.854 -7.928 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.702 4.551 -7.133 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.540 -0.094 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.585 3.608 -7.937 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.540 1.848 -8.769 1.00 0.00 H new ATOM 368 N PHE B 575 -10.461 3.200 -4.187 1.00 0.00 N ATOM 369 CA PHE B 575 -9.725 3.007 -2.952 1.00 0.00 C ATOM 370 C PHE B 575 -10.084 4.104 -1.966 1.00 0.00 C ATOM 371 O PHE B 575 -9.571 4.155 -0.853 1.00 0.00 O ATOM 372 CB PHE B 575 -8.213 2.999 -3.214 1.00 0.00 C ATOM 373 CG PHE B 575 -7.606 4.361 -3.371 1.00 0.00 C ATOM 374 CD1 PHE B 575 -7.670 5.023 -4.579 1.00 0.00 C ATOM 375 CD2 PHE B 575 -6.985 4.982 -2.300 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.127 6.281 -4.721 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.446 6.241 -2.433 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.516 6.890 -3.647 1.00 0.00 C ATOM 0 H PHE B 575 -10.413 4.143 -4.574 1.00 0.00 H new ATOM 0 HA PHE B 575 -9.999 2.041 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -7.716 2.486 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.016 2.420 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -8.151 4.550 -5.423 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.923 4.472 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -7.180 6.789 -5.673 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.970 6.719 -1.589 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.091 7.877 -3.756 1.00 0.00 H new ATOM 388 N MET B 576 -10.970 4.984 -2.395 1.00 0.00 N ATOM 389 CA MET B 576 -11.342 6.139 -1.594 1.00 0.00 C ATOM 390 C MET B 576 -12.189 5.726 -0.390 1.00 0.00 C ATOM 391 O MET B 576 -12.717 4.615 -0.347 1.00 0.00 O ATOM 392 CB MET B 576 -12.080 7.164 -2.454 1.00 0.00 C ATOM 393 CG MET B 576 -11.271 7.659 -3.647 1.00 0.00 C ATOM 394 SD MET B 576 -11.012 6.400 -4.919 1.00 0.00 S ATOM 395 CE MET B 576 -10.106 7.343 -6.144 1.00 0.00 C ATOM 0 H MET B 576 -11.447 4.922 -3.295 1.00 0.00 H new ATOM 0 HA MET B 576 -10.430 6.599 -1.213 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.009 6.721 -2.814 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.353 8.017 -1.833 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.781 8.513 -4.092 1.00 0.00 H new ATOM 0 HG3 MET B 576 -10.302 8.014 -3.296 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.673 6.664 -6.879 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.783 8.035 -6.644 1.00 0.00 H new ATOM 0 HE3 MET B 576 -9.310 7.904 -5.655 1.00 0.00 H new ATOM 405 N LYS B 577 -12.319 6.630 0.572 1.00 0.00 N ATOM 406 CA LYS B 577 -12.961 6.330 1.854 1.00 0.00 C ATOM 407 C LYS B 577 -14.337 5.686 1.700 1.00 0.00 C ATOM 408 O LYS B 577 -15.143 6.094 0.859 1.00 0.00 O ATOM 409 CB LYS B 577 -13.107 7.606 2.680 1.00 0.00 C ATOM 410 CG LYS B 577 -13.740 7.375 4.041 1.00 0.00 C ATOM 411 CD LYS B 577 -13.909 8.666 4.820 1.00 0.00 C ATOM 412 CE LYS B 577 -14.460 8.399 6.210 1.00 0.00 C ATOM 413 NZ LYS B 577 -13.555 7.530 7.009 1.00 0.00 N1+ ATOM 0 H LYS B 577 -11.985 7.590 0.490 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.314 5.613 2.358 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.124 8.056 2.817 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.711 8.323 2.124 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.713 6.900 3.912 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.122 6.684 4.615 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -12.949 9.175 4.898 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.581 9.334 4.281 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -14.607 9.346 6.730 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -15.438 7.926 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -13.867 7.523 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.581 6.561 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -12.584 7.897 6.954 1.00 0.00 H new ATOM 427 N GLY B 578 -14.590 4.671 2.521 1.00 0.00 N ATOM 428 CA GLY B 578 -15.918 4.102 2.626 1.00 0.00 C ATOM 429 C GLY B 578 -16.231 3.066 1.567 1.00 0.00 C ATOM 430 O GLY B 578 -17.294 2.443 1.609 1.00 0.00 O ATOM 0 H GLY B 578 -13.891 4.231 3.119 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.030 3.646 3.610 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.652 4.905 2.562 1.00 0.00 H new ATOM 434 N SER B 579 -15.328 2.883 0.617 1.00 0.00 N ATOM 435 CA SER B 579 -15.525 1.896 -0.434 1.00 0.00 C ATOM 436 C SER B 579 -15.507 0.486 0.144 1.00 0.00 C ATOM 437 O SER B 579 -14.828 0.223 1.140 1.00 0.00 O ATOM 438 CB SER B 579 -14.443 2.045 -1.497 1.00 0.00 C ATOM 439 OG SER B 579 -14.364 3.388 -1.942 1.00 0.00 O ATOM 0 H SER B 579 -14.453 3.403 0.551 1.00 0.00 H new ATOM 0 HA SER B 579 -16.499 2.066 -0.893 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.481 1.733 -1.091 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.661 1.389 -2.340 1.00 0.00 H new ATOM 0 HG SER B 579 -13.751 3.889 -1.364 1.00 0.00 H new ATOM 445 N ILE B 580 -16.268 -0.411 -0.464 1.00 0.00 N ATOM 446 CA ILE B 580 -16.320 -1.781 0.000 1.00 0.00 C ATOM 447 C ILE B 580 -15.351 -2.637 -0.796 1.00 0.00 C ATOM 448 O ILE B 580 -15.588 -2.966 -1.963 1.00 0.00 O ATOM 449 CB ILE B 580 -17.744 -2.364 -0.080 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.684 -1.580 0.843 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.739 -3.839 0.294 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.233 -1.557 2.292 1.00 0.00 C ATOM 0 H ILE B 580 -16.854 -0.213 -1.275 1.00 0.00 H new ATOM 0 HA ILE B 580 -16.027 -1.786 1.050 1.00 0.00 H new ATOM 0 HB ILE B 580 -18.102 -2.273 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.765 -0.555 0.480 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.681 -2.017 0.788 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.753 -4.234 0.232 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -17.094 -4.386 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.366 -3.955 1.312 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.946 -0.985 2.886 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.180 -2.577 2.673 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.249 -1.093 2.360 1.00 0.00 H new ATOM 464 N ILE B 581 -14.251 -2.968 -0.154 1.00 0.00 N ATOM 465 CA ILE B 581 -13.188 -3.722 -0.783 1.00 0.00 C ATOM 466 C ILE B 581 -13.377 -5.210 -0.504 1.00 0.00 C ATOM 467 O ILE B 581 -13.697 -5.594 0.624 1.00 0.00 O ATOM 468 CB ILE B 581 -11.817 -3.264 -0.247 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.719 -1.735 -0.235 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.693 -3.853 -1.073 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.820 -1.086 -1.597 1.00 0.00 C ATOM 0 H ILE B 581 -14.069 -2.722 0.819 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.222 -3.547 -1.858 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.721 -3.625 0.777 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.510 -1.339 0.401 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.771 -1.449 0.220 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.735 -3.516 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.741 -4.941 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.792 -3.526 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.741 -0.004 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -11.013 -1.449 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.779 -1.337 -2.049 1.00 0.00 H new ATOM 483 N GLN B 582 -13.199 -6.038 -1.524 1.00 0.00 N ATOM 484 CA GLN B 582 -13.402 -7.472 -1.375 1.00 0.00 C ATOM 485 C GLN B 582 -12.093 -8.232 -1.484 1.00 0.00 C ATOM 486 O GLN B 582 -11.375 -8.118 -2.476 1.00 0.00 O ATOM 487 CB GLN B 582 -14.391 -7.989 -2.414 1.00 0.00 C ATOM 488 CG GLN B 582 -14.596 -9.499 -2.345 1.00 0.00 C ATOM 489 CD GLN B 582 -15.469 -10.042 -3.459 1.00 0.00 C ATOM 490 OE1 GLN B 582 -16.383 -9.372 -3.935 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.181 -11.259 -3.896 1.00 0.00 N ATOM 0 H GLN B 582 -12.916 -5.744 -2.459 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.813 -7.641 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.350 -7.491 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -14.036 -7.722 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.624 -9.992 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.045 -9.753 -1.385 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -14.414 -11.784 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -15.726 -11.671 -4.653 1.00 0.00 H new ATOM 500 N LEU B 583 -11.804 -9.024 -0.463 1.00 0.00 N ATOM 501 CA LEU B 583 -10.557 -9.772 -0.393 1.00 0.00 C ATOM 502 C LEU B 583 -10.668 -11.098 -1.137 1.00 0.00 C ATOM 503 O LEU B 583 -11.760 -11.482 -1.551 1.00 0.00 O ATOM 504 CB LEU B 583 -10.187 -10.030 1.063 1.00 0.00 C ATOM 505 CG LEU B 583 -10.249 -8.808 1.970 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.984 -9.222 3.408 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.254 -7.751 1.505 1.00 0.00 C ATOM 0 H LEU B 583 -12.422 -9.166 0.336 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.778 -9.176 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.855 -10.794 1.462 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.177 -10.439 1.098 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.246 -8.370 1.918 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.029 -8.345 4.053 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.737 -9.944 3.723 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -8.995 -9.675 3.480 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.310 -6.884 2.163 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.245 -8.163 1.533 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.494 -7.449 0.486 1.00 0.00 H new ATOM 519 N ALA B 584 -9.548 -11.805 -1.293 1.00 0.00 N ATOM 520 CA ALA B 584 -9.548 -13.077 -2.013 1.00 0.00 C ATOM 521 C ALA B 584 -10.495 -14.082 -1.361 1.00 0.00 C ATOM 522 O ALA B 584 -11.203 -14.822 -2.045 1.00 0.00 O ATOM 523 CB ALA B 584 -8.142 -13.656 -2.104 1.00 0.00 C ATOM 0 H ALA B 584 -8.637 -11.521 -0.933 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.904 -12.879 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.172 -14.602 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.494 -12.957 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.752 -13.824 -1.100 1.00 0.00 H new ATOM 529 N ASN B 585 -10.526 -14.081 -0.030 1.00 0.00 N ATOM 530 CA ASN B 585 -11.382 -14.992 0.721 1.00 0.00 C ATOM 531 C ASN B 585 -12.847 -14.557 0.629 1.00 0.00 C ATOM 532 O ASN B 585 -13.751 -15.282 1.050 1.00 0.00 O ATOM 533 CB ASN B 585 -10.936 -15.072 2.186 1.00 0.00 C ATOM 534 CG ASN B 585 -11.058 -13.761 2.934 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.025 -12.682 2.344 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.175 -13.850 4.248 1.00 0.00 N ATOM 0 H ASN B 585 -9.966 -13.457 0.551 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.290 -15.985 0.280 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.532 -15.828 2.697 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.899 -15.406 2.223 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.242 -13.003 4.813 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.198 -14.766 4.697 1.00 0.00 H new ATOM 543 N GLY B 586 -13.072 -13.368 0.079 1.00 0.00 N ATOM 544 CA GLY B 586 -14.421 -12.899 -0.169 1.00 0.00 C ATOM 545 C GLY B 586 -14.940 -11.953 0.894 1.00 0.00 C ATOM 546 O GLY B 586 -16.139 -11.682 0.947 1.00 0.00 O ATOM 0 H GLY B 586 -12.338 -12.718 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.450 -12.397 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.089 -13.758 -0.236 1.00 0.00 H new ATOM 550 N GLU B 587 -14.059 -11.453 1.750 1.00 0.00 N ATOM 551 CA GLU B 587 -14.474 -10.510 2.777 1.00 0.00 C ATOM 552 C GLU B 587 -14.750 -9.143 2.210 1.00 0.00 C ATOM 553 O GLU B 587 -14.095 -8.698 1.269 1.00 0.00 O ATOM 554 CB GLU B 587 -13.450 -10.397 3.884 1.00 0.00 C ATOM 555 CG GLU B 587 -13.377 -11.644 4.711 1.00 0.00 C ATOM 556 CD GLU B 587 -12.756 -11.420 6.070 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.449 -10.886 6.961 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.579 -11.785 6.258 1.00 0.00 O ATOM 0 H GLU B 587 -13.065 -11.681 1.754 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.400 -10.907 3.193 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -12.471 -10.191 3.452 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -13.701 -9.551 4.525 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -14.382 -12.047 4.839 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.799 -12.396 4.174 1.00 0.00 H new ATOM 565 N LEU B 588 -15.721 -8.490 2.808 1.00 0.00 N ATOM 566 CA LEU B 588 -16.156 -7.177 2.371 1.00 0.00 C ATOM 567 C LEU B 588 -15.978 -6.171 3.496 1.00 0.00 C ATOM 568 O LEU B 588 -16.753 -6.142 4.455 1.00 0.00 O ATOM 569 CB LEU B 588 -17.613 -7.252 1.936 1.00 0.00 C ATOM 570 CG LEU B 588 -17.906 -8.378 0.947 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.386 -8.428 0.623 1.00 0.00 C ATOM 572 CD2 LEU B 588 -17.078 -8.200 -0.316 1.00 0.00 C ATOM 0 H LEU B 588 -16.234 -8.852 3.612 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.552 -6.850 1.525 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.239 -7.385 2.818 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.896 -6.302 1.484 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.629 -9.327 1.405 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.577 -9.236 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.953 -8.604 1.537 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.694 -7.480 0.182 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.297 -9.010 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.324 -7.245 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -16.018 -8.217 -0.062 1.00 0.00 H new ATOM 584 N LYS B 589 -14.946 -5.358 3.383 1.00 0.00 N ATOM 585 CA LYS B 589 -14.558 -4.474 4.462 1.00 0.00 C ATOM 586 C LYS B 589 -14.310 -3.064 3.943 1.00 0.00 C ATOM 587 O LYS B 589 -13.996 -2.872 2.766 1.00 0.00 O ATOM 588 CB LYS B 589 -13.301 -5.033 5.132 1.00 0.00 C ATOM 589 CG LYS B 589 -13.456 -6.482 5.572 1.00 0.00 C ATOM 590 CD LYS B 589 -12.159 -7.089 6.085 1.00 0.00 C ATOM 591 CE LYS B 589 -11.808 -6.605 7.484 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.048 -5.328 7.477 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.360 -5.292 2.551 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.365 -4.418 5.192 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.463 -4.957 4.440 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.055 -4.420 5.999 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.212 -6.539 6.355 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.821 -7.074 4.733 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.246 -8.175 6.090 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.348 -6.838 5.402 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.725 -6.474 8.059 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.220 -7.370 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.385 -4.719 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -10.035 -5.526 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.191 -4.844 6.568 1.00 0.00 H new ATOM 606 N LYS B 590 -14.472 -2.085 4.824 1.00 0.00 N ATOM 607 CA LYS B 590 -14.250 -0.687 4.474 1.00 0.00 C ATOM 608 C LYS B 590 -12.770 -0.425 4.249 1.00 0.00 C ATOM 609 O LYS B 590 -11.932 -1.038 4.912 1.00 0.00 O ATOM 610 CB LYS B 590 -14.780 0.229 5.576 1.00 0.00 C ATOM 611 CG LYS B 590 -16.287 0.209 5.716 1.00 0.00 C ATOM 612 CD LYS B 590 -16.950 1.176 4.756 1.00 0.00 C ATOM 613 CE LYS B 590 -18.457 1.153 4.912 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.124 2.147 4.031 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.758 -2.234 5.792 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.789 -0.475 3.551 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.332 -0.064 6.526 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.457 1.250 5.373 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.657 -0.799 5.531 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.561 0.466 6.739 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.578 2.185 4.936 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.683 0.916 3.732 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.830 0.155 4.680 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.717 1.357 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.061 1.792 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.232 3.047 4.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.546 2.299 3.180 1.00 0.00 H new ATOM 628 N VAL B 591 -12.460 0.474 3.325 1.00 0.00 N ATOM 629 CA VAL B 591 -11.079 0.686 2.884 1.00 0.00 C ATOM 630 C VAL B 591 -10.133 0.918 4.056 1.00 0.00 C ATOM 631 O VAL B 591 -9.097 0.267 4.173 1.00 0.00 O ATOM 632 CB VAL B 591 -10.952 1.905 1.960 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.593 1.913 1.288 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.055 1.936 0.932 1.00 0.00 C ATOM 0 H VAL B 591 -13.145 1.072 2.862 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.807 -0.226 2.352 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.048 2.803 2.571 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.515 2.782 0.635 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.812 1.958 2.047 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.474 1.004 0.698 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.934 2.812 0.295 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -12.009 1.034 0.321 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.020 1.984 1.436 1.00 0.00 H new ATOM 644 N GLU B 592 -10.520 1.830 4.931 1.00 0.00 N ATOM 645 CA GLU B 592 -9.679 2.241 6.043 1.00 0.00 C ATOM 646 C GLU B 592 -9.589 1.159 7.108 1.00 0.00 C ATOM 647 O GLU B 592 -8.614 1.088 7.857 1.00 0.00 O ATOM 648 CB GLU B 592 -10.218 3.523 6.663 1.00 0.00 C ATOM 649 CG GLU B 592 -11.698 3.458 6.984 1.00 0.00 C ATOM 650 CD GLU B 592 -12.569 3.994 5.864 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.803 3.263 4.879 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -13.022 5.153 5.967 1.00 0.00 O ATOM 0 H GLU B 592 -11.422 2.305 4.892 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.677 2.416 5.650 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -9.664 3.737 7.577 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.038 4.353 5.979 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -11.975 2.424 7.190 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -11.893 4.027 7.893 1.00 0.00 H new ATOM 659 N ASP B 593 -10.610 0.323 7.166 1.00 0.00 N ATOM 660 CA ASP B 593 -10.696 -0.723 8.175 1.00 0.00 C ATOM 661 C ASP B 593 -9.874 -1.941 7.777 1.00 0.00 C ATOM 662 O ASP B 593 -9.540 -2.776 8.621 1.00 0.00 O ATOM 663 CB ASP B 593 -12.166 -1.110 8.389 1.00 0.00 C ATOM 664 CG ASP B 593 -12.361 -2.263 9.356 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.484 -2.009 10.571 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.426 -3.428 8.901 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.399 0.347 6.520 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.285 -0.340 9.109 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.711 -0.241 8.759 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.606 -1.376 7.428 1.00 0.00 H new ATOM 671 N LEU B 594 -9.546 -2.034 6.496 1.00 0.00 N ATOM 672 CA LEU B 594 -8.726 -3.122 5.990 1.00 0.00 C ATOM 673 C LEU B 594 -7.392 -3.170 6.717 1.00 0.00 C ATOM 674 O LEU B 594 -6.617 -2.213 6.697 1.00 0.00 O ATOM 675 CB LEU B 594 -8.494 -2.957 4.493 1.00 0.00 C ATOM 676 CG LEU B 594 -9.753 -3.015 3.635 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.481 -2.410 2.284 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.230 -4.443 3.464 1.00 0.00 C ATOM 0 H LEU B 594 -9.838 -1.363 5.785 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.255 -4.059 6.167 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.999 -2.001 4.321 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.809 -3.736 4.159 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.534 -2.448 4.141 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.385 -2.455 1.677 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.177 -1.370 2.405 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.684 -2.966 1.790 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.129 -4.455 2.848 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.451 -5.031 2.980 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.454 -4.871 4.441 1.00 0.00 H new ATOM 690 N LYS B 595 -7.145 -4.282 7.371 1.00 0.00 N ATOM 691 CA LYS B 595 -5.918 -4.480 8.106 1.00 0.00 C ATOM 692 C LYS B 595 -4.928 -5.241 7.248 1.00 0.00 C ATOM 693 O LYS B 595 -5.305 -5.810 6.224 1.00 0.00 O ATOM 694 CB LYS B 595 -6.189 -5.241 9.404 1.00 0.00 C ATOM 695 CG LYS B 595 -7.030 -4.467 10.405 1.00 0.00 C ATOM 696 CD LYS B 595 -6.268 -3.281 10.978 1.00 0.00 C ATOM 697 CE LYS B 595 -7.132 -2.465 11.925 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.265 -1.813 11.217 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.788 -5.073 7.408 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.497 -3.507 8.361 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.694 -6.177 9.166 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.237 -5.501 9.867 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -7.941 -4.115 9.921 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.335 -5.130 11.215 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.384 -3.637 11.507 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -5.918 -2.645 10.165 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.519 -3.112 12.712 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -6.521 -1.704 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -8.215 -0.784 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.209 -2.028 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -9.164 -2.171 11.598 1.00 0.00 H new ATOM 712 N THR B 596 -3.675 -5.260 7.648 1.00 0.00 N ATOM 713 CA THR B 596 -2.656 -5.933 6.864 1.00 0.00 C ATOM 714 C THR B 596 -2.967 -7.421 6.738 1.00 0.00 C ATOM 715 O THR B 596 -2.762 -8.011 5.679 1.00 0.00 O ATOM 716 CB THR B 596 -1.258 -5.728 7.468 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.272 -6.433 6.704 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.219 -6.206 8.902 1.00 0.00 C ATOM 0 H THR B 596 -3.337 -4.821 8.504 1.00 0.00 H new ATOM 0 HA THR B 596 -2.660 -5.490 5.868 1.00 0.00 H new ATOM 0 HB THR B 596 -1.036 -4.661 7.443 1.00 0.00 H new ATOM 0 HG1 THR B 596 -0.375 -7.397 6.848 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.220 -6.052 9.310 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.943 -5.645 9.492 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.466 -7.267 8.939 1.00 0.00 H new ATOM 726 N GLU B 597 -3.502 -8.006 7.809 1.00 0.00 N ATOM 727 CA GLU B 597 -3.855 -9.419 7.827 1.00 0.00 C ATOM 728 C GLU B 597 -4.890 -9.743 6.758 1.00 0.00 C ATOM 729 O GLU B 597 -4.937 -10.862 6.254 1.00 0.00 O ATOM 730 CB GLU B 597 -4.370 -9.822 9.201 1.00 0.00 C ATOM 731 CG GLU B 597 -3.294 -9.819 10.272 1.00 0.00 C ATOM 732 CD GLU B 597 -3.852 -10.113 11.644 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.361 -9.178 12.293 1.00 0.00 O1- ATOM 734 OE2 GLU B 597 -3.793 -11.280 12.077 1.00 0.00 O ATOM 0 H GLU B 597 -3.701 -7.515 8.681 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.954 -9.991 7.608 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.168 -9.141 9.496 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.808 -10.818 9.139 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.535 -10.561 10.024 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.799 -8.848 10.284 1.00 0.00 H new ATOM 741 N ASP B 598 -5.714 -8.759 6.416 1.00 0.00 N ATOM 742 CA ASP B 598 -6.714 -8.931 5.367 1.00 0.00 C ATOM 743 C ASP B 598 -6.040 -9.227 4.037 1.00 0.00 C ATOM 744 O ASP B 598 -6.384 -10.190 3.342 1.00 0.00 O ATOM 745 CB ASP B 598 -7.584 -7.676 5.223 1.00 0.00 C ATOM 746 CG ASP B 598 -8.547 -7.472 6.374 1.00 0.00 C ATOM 747 OD1 ASP B 598 -9.203 -8.445 6.788 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.674 -6.327 6.855 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.710 -7.835 6.849 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.349 -9.770 5.650 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.937 -6.803 5.142 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.150 -7.741 4.294 1.00 0.00 H new ATOM 753 N PHE B 599 -5.075 -8.394 3.687 1.00 0.00 N ATOM 754 CA PHE B 599 -4.349 -8.555 2.440 1.00 0.00 C ATOM 755 C PHE B 599 -3.407 -9.742 2.527 1.00 0.00 C ATOM 756 O PHE B 599 -3.189 -10.444 1.540 1.00 0.00 O ATOM 757 CB PHE B 599 -3.594 -7.276 2.072 1.00 0.00 C ATOM 758 CG PHE B 599 -4.484 -6.212 1.487 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.693 -5.890 2.087 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.124 -5.550 0.325 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.520 -4.928 1.542 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.949 -4.587 -0.226 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.147 -4.276 0.384 1.00 0.00 C ATOM 0 H PHE B 599 -4.776 -7.598 4.250 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.070 -8.749 1.646 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.104 -6.882 2.962 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.809 -7.518 1.356 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.991 -6.398 2.992 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.187 -5.789 -0.157 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.457 -4.686 2.021 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.656 -4.079 -1.133 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.792 -3.523 -0.044 1.00 0.00 H new ATOM 773 N ILE B 600 -2.844 -9.962 3.710 1.00 0.00 N ATOM 774 CA ILE B 600 -2.030 -11.134 3.951 1.00 0.00 C ATOM 775 C ILE B 600 -2.812 -12.408 3.649 1.00 0.00 C ATOM 776 O ILE B 600 -2.422 -13.183 2.782 1.00 0.00 O ATOM 777 CB ILE B 600 -1.531 -11.151 5.405 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.497 -10.044 5.606 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.951 -12.507 5.774 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.033 -9.886 7.036 1.00 0.00 C ATOM 0 H ILE B 600 -2.940 -9.341 4.513 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.169 -11.092 3.284 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.379 -10.970 6.066 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.368 -10.250 4.975 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.921 -9.099 5.266 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.607 -12.486 6.808 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.718 -13.273 5.662 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.112 -12.735 5.117 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.699 -9.081 7.094 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.886 -9.647 7.671 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.423 -10.816 7.375 1.00 0.00 H new ATOM 792 N GLN B 601 -3.943 -12.586 4.327 1.00 0.00 N ATOM 793 CA GLN B 601 -4.742 -13.796 4.177 1.00 0.00 C ATOM 794 C GLN B 601 -5.154 -14.021 2.738 1.00 0.00 C ATOM 795 O GLN B 601 -4.959 -15.103 2.206 1.00 0.00 O ATOM 796 CB GLN B 601 -5.981 -13.753 5.067 1.00 0.00 C ATOM 797 CG GLN B 601 -5.667 -14.055 6.514 1.00 0.00 C ATOM 798 CD GLN B 601 -6.904 -14.166 7.377 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.470 -15.246 7.534 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.325 -13.055 7.949 1.00 0.00 N ATOM 0 H GLN B 601 -4.326 -11.907 4.985 1.00 0.00 H new ATOM 0 HA GLN B 601 -4.112 -14.630 4.488 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.440 -12.767 4.997 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.713 -14.473 4.700 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.106 -14.988 6.571 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -5.023 -13.271 6.911 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.826 -12.180 7.792 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -8.150 -13.071 8.548 1.00 0.00 H new ATOM 809 N SER B 602 -5.697 -12.994 2.109 1.00 0.00 N ATOM 810 CA SER B 602 -6.186 -13.114 0.743 1.00 0.00 C ATOM 811 C SER B 602 -5.117 -13.687 -0.186 1.00 0.00 C ATOM 812 O SER B 602 -5.360 -14.647 -0.922 1.00 0.00 O ATOM 813 CB SER B 602 -6.650 -11.750 0.249 1.00 0.00 C ATOM 814 OG SER B 602 -5.727 -10.741 0.586 1.00 0.00 O ATOM 0 H SER B 602 -5.811 -12.067 2.520 1.00 0.00 H new ATOM 0 HA SER B 602 -7.027 -13.808 0.736 1.00 0.00 H new ATOM 0 HB2 SER B 602 -6.782 -11.778 -0.833 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.622 -11.516 0.682 1.00 0.00 H new ATOM 0 HG SER B 602 -5.352 -10.354 -0.233 1.00 0.00 H new ATOM 820 N ALA B 603 -3.938 -13.101 -0.132 1.00 0.00 N ATOM 821 CA ALA B 603 -2.812 -13.561 -0.938 1.00 0.00 C ATOM 822 C ALA B 603 -2.335 -14.952 -0.513 1.00 0.00 C ATOM 823 O ALA B 603 -1.910 -15.750 -1.347 1.00 0.00 O ATOM 824 CB ALA B 603 -1.668 -12.575 -0.843 1.00 0.00 C ATOM 0 H ALA B 603 -3.729 -12.300 0.464 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.154 -13.628 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.833 -12.928 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.995 -11.602 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.351 -12.485 0.196 1.00 0.00 H new ATOM 830 N GLU B 604 -2.412 -15.239 0.782 1.00 0.00 N ATOM 831 CA GLU B 604 -1.954 -16.519 1.321 1.00 0.00 C ATOM 832 C GLU B 604 -2.869 -17.654 0.885 1.00 0.00 C ATOM 833 O GLU B 604 -2.431 -18.788 0.676 1.00 0.00 O ATOM 834 CB GLU B 604 -1.910 -16.445 2.840 1.00 0.00 C ATOM 835 CG GLU B 604 -0.828 -15.523 3.366 1.00 0.00 C ATOM 836 CD GLU B 604 0.536 -16.174 3.391 1.00 0.00 C ATOM 837 OE1 GLU B 604 0.846 -16.873 4.381 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.305 -15.990 2.426 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.789 -14.601 1.483 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.955 -16.720 0.934 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.878 -16.105 3.208 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.751 -17.446 3.241 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.787 -14.628 2.746 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -1.090 -15.201 4.374 1.00 0.00 H new ATOM 845 N ILE B 605 -4.145 -17.331 0.760 1.00 0.00 N ATOM 846 CA ILE B 605 -5.147 -18.258 0.255 1.00 0.00 C ATOM 847 C ILE B 605 -4.930 -18.475 -1.248 1.00 0.00 C ATOM 848 O ILE B 605 -5.534 -19.354 -1.865 1.00 0.00 O ATOM 849 CB ILE B 605 -6.561 -17.709 0.564 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.652 -17.432 2.069 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.651 -18.682 0.130 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.883 -16.667 2.502 1.00 0.00 C ATOM 0 H ILE B 605 -4.518 -16.414 1.007 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.052 -19.225 0.748 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.718 -16.789 0.001 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.627 -18.383 2.601 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.768 -16.873 2.375 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.629 -18.261 0.364 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.578 -18.855 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.527 -19.627 0.659 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.859 -16.519 3.582 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.903 -15.698 2.004 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.776 -17.232 2.233 1.00 0.00 H new ATOM 864 N SER B 606 -4.030 -17.666 -1.803 1.00 0.00 N ATOM 865 CA SER B 606 -3.436 -17.874 -3.127 1.00 0.00 C ATOM 866 C SER B 606 -4.464 -18.038 -4.239 1.00 0.00 C ATOM 867 O SER B 606 -4.904 -19.148 -4.553 1.00 0.00 O ATOM 868 CB SER B 606 -2.465 -19.066 -3.104 1.00 0.00 C ATOM 869 OG SER B 606 -3.103 -20.268 -2.696 1.00 0.00 O ATOM 0 H SER B 606 -3.684 -16.828 -1.336 1.00 0.00 H new ATOM 0 HA SER B 606 -2.884 -16.963 -3.358 1.00 0.00 H new ATOM 0 HB2 SER B 606 -2.036 -19.203 -4.097 1.00 0.00 H new ATOM 0 HB3 SER B 606 -1.639 -18.847 -2.427 1.00 0.00 H new ATOM 0 HG SER B 606 -4.017 -20.289 -3.048 1.00 0.00 H new ATOM 875 N ASN B 607 -4.836 -16.919 -4.834 1.00 0.00 N ATOM 876 CA ASN B 607 -5.684 -16.921 -6.013 1.00 0.00 C ATOM 877 C ASN B 607 -5.026 -16.062 -7.084 1.00 0.00 C ATOM 878 O ASN B 607 -5.569 -15.036 -7.493 1.00 0.00 O ATOM 879 CB ASN B 607 -7.085 -16.396 -5.672 1.00 0.00 C ATOM 880 CG ASN B 607 -8.100 -16.679 -6.767 1.00 0.00 C ATOM 881 OD1 ASN B 607 -8.725 -17.739 -6.788 1.00 0.00 O ATOM 882 ND2 ASN B 607 -8.292 -15.730 -7.668 1.00 0.00 N ATOM 0 H ASN B 607 -4.561 -15.989 -4.517 1.00 0.00 H new ATOM 0 HA ASN B 607 -5.800 -17.939 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -7.423 -16.853 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -7.034 -15.321 -5.499 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -8.977 -15.864 -8.412 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -7.755 -14.864 -7.619 1.00 0.00 H new ATOM 889 N ASP B 608 -3.826 -16.481 -7.500 1.00 0.00 N ATOM 890 CA ASP B 608 -3.007 -15.718 -8.451 1.00 0.00 C ATOM 891 C ASP B 608 -2.556 -14.409 -7.811 1.00 0.00 C ATOM 892 O ASP B 608 -2.450 -13.376 -8.475 1.00 0.00 O ATOM 893 CB ASP B 608 -3.779 -15.431 -9.747 1.00 0.00 C ATOM 894 CG ASP B 608 -4.164 -16.686 -10.500 1.00 0.00 C ATOM 895 OD1 ASP B 608 -3.298 -17.260 -11.194 1.00 0.00 O1- ATOM 896 OD2 ASP B 608 -5.339 -17.099 -10.416 1.00 0.00 O ATOM 0 H ASP B 608 -3.396 -17.353 -7.190 1.00 0.00 H new ATOM 0 HA ASP B 608 -2.134 -16.318 -8.706 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -4.681 -14.867 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -3.170 -14.799 -10.393 1.00 0.00 H new ATOM 901 N LEU B 609 -2.291 -14.466 -6.511 1.00 0.00 N ATOM 902 CA LEU B 609 -1.999 -13.274 -5.722 1.00 0.00 C ATOM 903 C LEU B 609 -0.995 -13.615 -4.625 1.00 0.00 C ATOM 904 O LEU B 609 -1.132 -14.643 -3.960 1.00 0.00 O ATOM 905 CB LEU B 609 -3.302 -12.744 -5.105 1.00 0.00 C ATOM 906 CG LEU B 609 -4.421 -12.473 -6.119 1.00 0.00 C ATOM 907 CD1 LEU B 609 -5.793 -12.551 -5.472 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.225 -11.116 -6.764 1.00 0.00 C ATOM 0 H LEU B 609 -2.272 -15.334 -5.976 1.00 0.00 H new ATOM 0 HA LEU B 609 -1.568 -12.505 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.661 -13.465 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -3.085 -11.821 -4.567 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.369 -13.247 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -6.560 -12.354 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -5.942 -13.546 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -5.863 -11.809 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.025 -10.935 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.244 -10.342 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -3.264 -11.093 -7.279 1.00 0.00 H new ATOM 920 N LYS B 610 0.019 -12.771 -4.446 1.00 0.00 N ATOM 921 CA LYS B 610 1.073 -13.041 -3.465 1.00 0.00 C ATOM 922 C LYS B 610 1.478 -11.772 -2.719 1.00 0.00 C ATOM 923 O LYS B 610 1.552 -10.691 -3.309 1.00 0.00 O ATOM 924 CB LYS B 610 2.319 -13.615 -4.150 1.00 0.00 C ATOM 925 CG LYS B 610 2.063 -14.827 -5.031 1.00 0.00 C ATOM 926 CD LYS B 610 3.326 -15.228 -5.774 1.00 0.00 C ATOM 927 CE LYS B 610 3.071 -16.351 -6.762 1.00 0.00 C ATOM 928 NZ LYS B 610 4.294 -16.689 -7.535 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.135 -11.899 -4.963 1.00 0.00 H new ATOM 0 HA LYS B 610 0.669 -13.764 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS B 610 2.775 -12.833 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS B 610 3.044 -13.888 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS B 610 1.715 -15.660 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS B 610 1.271 -14.603 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS B 610 3.725 -14.363 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.085 -15.541 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS B 610 2.722 -17.234 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS B 610 2.276 -16.059 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 4.082 -17.460 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 4.612 -15.852 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 5.045 -16.991 -6.882 1.00 0.00 H new ATOM 942 N ILE B 611 1.740 -11.921 -1.423 1.00 0.00 N ATOM 943 CA ILE B 611 2.286 -10.842 -0.604 1.00 0.00 C ATOM 944 C ILE B 611 3.807 -10.836 -0.706 1.00 0.00 C ATOM 945 O ILE B 611 4.430 -11.884 -0.891 1.00 0.00 O ATOM 946 CB ILE B 611 1.896 -11.011 0.881 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.382 -10.919 1.056 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.593 -9.986 1.762 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.147 -9.522 1.325 1.00 0.00 C ATOM 0 H ILE B 611 1.581 -12.790 -0.912 1.00 0.00 H new ATOM 0 HA ILE B 611 1.873 -9.904 -0.975 1.00 0.00 H new ATOM 0 HB ILE B 611 2.226 -12.001 1.195 1.00 0.00 H new ATOM 0 HG12 ILE B 611 -0.097 -11.306 0.157 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.086 -11.569 1.880 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.295 -10.135 2.800 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.673 -10.105 1.674 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.312 -8.982 1.444 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.231 -9.558 1.435 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.298 -9.135 2.242 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.112 -8.868 0.492 1.00 0.00 H new ATOM 961 N ASP B 612 4.393 -9.664 -0.582 1.00 0.00 N ATOM 962 CA ASP B 612 5.844 -9.527 -0.559 1.00 0.00 C ATOM 963 C ASP B 612 6.263 -8.770 0.686 1.00 0.00 C ATOM 964 O ASP B 612 5.428 -8.170 1.363 1.00 0.00 O ATOM 965 CB ASP B 612 6.349 -8.779 -1.791 1.00 0.00 C ATOM 966 CG ASP B 612 7.707 -9.267 -2.245 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.713 -8.949 -1.579 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 7.766 -9.985 -3.266 1.00 0.00 O ATOM 0 H ASP B 612 3.887 -8.783 -0.495 1.00 0.00 H new ATOM 0 HA ASP B 612 6.278 -10.527 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP B 612 5.633 -8.898 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.405 -7.713 -1.568 1.00 0.00 H new ATOM 973 N SER B 613 7.549 -8.780 0.975 1.00 0.00 N ATOM 974 CA SER B 613 8.065 -8.078 2.133 1.00 0.00 C ATOM 975 C SER B 613 9.285 -7.247 1.750 1.00 0.00 C ATOM 976 O SER B 613 10.322 -7.783 1.353 1.00 0.00 O ATOM 977 CB SER B 613 8.395 -9.067 3.257 1.00 0.00 C ATOM 978 OG SER B 613 9.231 -10.114 2.798 1.00 0.00 O ATOM 0 H SER B 613 8.256 -9.267 0.424 1.00 0.00 H new ATOM 0 HA SER B 613 7.298 -7.397 2.502 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.886 -8.540 4.075 1.00 0.00 H new ATOM 0 HB3 SER B 613 7.472 -9.486 3.657 1.00 0.00 H new ATOM 0 HG SER B 613 9.813 -9.779 2.084 1.00 0.00 H new ATOM 984 N SER B 614 9.137 -5.935 1.834 1.00 0.00 N ATOM 985 CA SER B 614 10.221 -5.021 1.512 1.00 0.00 C ATOM 986 C SER B 614 10.298 -3.917 2.567 1.00 0.00 C ATOM 987 O SER B 614 9.449 -3.030 2.607 1.00 0.00 O ATOM 988 CB SER B 614 9.996 -4.432 0.116 1.00 0.00 C ATOM 989 OG SER B 614 9.794 -5.460 -0.840 1.00 0.00 O ATOM 0 H SER B 614 8.273 -5.477 2.124 1.00 0.00 H new ATOM 0 HA SER B 614 11.169 -5.559 1.512 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.131 -3.769 0.132 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.856 -3.827 -0.171 1.00 0.00 H new ATOM 0 HG SER B 614 8.838 -5.668 -0.900 1.00 0.00 H new ATOM 995 N THR B 615 11.298 -3.995 3.433 1.00 0.00 N ATOM 996 CA THR B 615 11.433 -3.055 4.541 1.00 0.00 C ATOM 997 C THR B 615 12.102 -1.755 4.112 1.00 0.00 C ATOM 998 O THR B 615 13.257 -1.753 3.697 1.00 0.00 O ATOM 999 CB THR B 615 12.234 -3.684 5.696 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.609 -4.905 6.108 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.329 -2.729 6.882 1.00 0.00 C ATOM 0 H THR B 615 12.032 -4.702 3.391 1.00 0.00 H new ATOM 0 HA THR B 615 10.423 -2.823 4.880 1.00 0.00 H new ATOM 0 HB THR B 615 13.244 -3.889 5.340 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.122 -5.304 6.842 1.00 0.00 H new ATOM 0 HG21 THR B 615 12.900 -3.199 7.683 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.828 -1.811 6.571 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.327 -2.493 7.241 1.00 0.00 H new ATOM 1009 N VAL B 616 11.363 -0.653 4.201 1.00 0.00 N ATOM 1010 CA VAL B 616 11.925 0.663 3.949 1.00 0.00 C ATOM 1011 C VAL B 616 13.068 0.958 4.919 1.00 0.00 C ATOM 1012 O VAL B 616 12.909 0.875 6.137 1.00 0.00 O ATOM 1013 CB VAL B 616 10.841 1.766 4.028 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.893 1.526 5.179 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.460 3.147 4.157 1.00 0.00 C ATOM 0 H VAL B 616 10.373 -0.649 4.446 1.00 0.00 H new ATOM 0 HA VAL B 616 12.325 0.663 2.935 1.00 0.00 H new ATOM 0 HB VAL B 616 10.279 1.721 3.095 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.145 2.318 5.206 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.398 0.564 5.048 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.451 1.522 6.115 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.670 3.896 4.210 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.064 3.192 5.063 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.091 3.345 3.291 1.00 0.00 H new ATOM 1025 N GLU B 617 14.226 1.268 4.360 1.00 0.00 N ATOM 1026 CA GLU B 617 15.408 1.580 5.143 1.00 0.00 C ATOM 1027 C GLU B 617 15.681 3.080 5.125 1.00 0.00 C ATOM 1028 O GLU B 617 16.417 3.594 5.966 1.00 0.00 O ATOM 1029 CB GLU B 617 16.623 0.806 4.633 1.00 0.00 C ATOM 1030 CG GLU B 617 16.439 -0.702 4.663 1.00 0.00 C ATOM 1031 CD GLU B 617 17.750 -1.458 4.781 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.542 -1.442 3.814 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 17.994 -2.069 5.847 1.00 0.00 O ATOM 0 H GLU B 617 14.372 1.310 3.351 1.00 0.00 H new ATOM 0 HA GLU B 617 15.222 1.275 6.173 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.839 1.117 3.611 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.491 1.070 5.237 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.796 -0.967 5.502 1.00 0.00 H new ATOM 0 HG3 GLU B 617 15.924 -1.018 3.755 1.00 0.00 H new ATOM 1040 N ARG B 618 15.097 3.779 4.157 1.00 0.00 N ATOM 1041 CA ARG B 618 15.308 5.216 4.027 1.00 0.00 C ATOM 1042 C ARG B 618 14.146 5.864 3.277 1.00 0.00 C ATOM 1043 O ARG B 618 13.458 5.205 2.499 1.00 0.00 O ATOM 1044 CB ARG B 618 16.632 5.485 3.306 1.00 0.00 C ATOM 1045 CG ARG B 618 16.964 6.961 3.129 1.00 0.00 C ATOM 1046 CD ARG B 618 18.259 7.150 2.355 1.00 0.00 C ATOM 1047 NE ARG B 618 19.392 6.527 3.035 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.464 6.042 2.413 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.567 6.119 1.093 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.438 5.486 3.122 1.00 0.00 N ATOM 0 H ARG B 618 14.477 3.376 3.454 1.00 0.00 H new ATOM 0 HA ARG B 618 15.355 5.656 5.023 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.438 5.008 3.863 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.600 5.012 2.324 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.149 7.458 2.604 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.050 7.436 4.106 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.153 6.722 1.358 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.453 8.215 2.225 1.00 0.00 H new ATOM 0 HE ARG B 618 19.359 6.459 4.052 1.00 0.00 H new ATOM 0 HH11 ARG B 618 19.822 6.552 0.548 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.392 5.745 0.623 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.363 5.432 4.138 1.00 0.00 H new ATOM 0 HH22 ARG B 618 22.262 5.112 2.651 1.00 0.00 H new ATOM 1064 N ILE B 619 13.935 7.151 3.520 1.00 0.00 N ATOM 1065 CA ILE B 619 12.853 7.898 2.901 1.00 0.00 C ATOM 1066 C ILE B 619 13.339 9.292 2.546 1.00 0.00 C ATOM 1067 O ILE B 619 13.841 10.020 3.405 1.00 0.00 O ATOM 1068 CB ILE B 619 11.615 8.001 3.825 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.931 6.642 3.935 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.634 9.053 3.307 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.801 6.610 4.938 1.00 0.00 C ATOM 0 H ILE B 619 14.511 7.705 4.153 1.00 0.00 H new ATOM 0 HA ILE B 619 12.551 7.362 2.002 1.00 0.00 H new ATOM 0 HB ILE B 619 11.948 8.310 4.816 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.544 6.360 2.956 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.673 5.893 4.213 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.773 9.107 3.973 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.127 10.025 3.272 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.302 8.779 2.306 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.363 5.612 4.961 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.185 6.861 5.927 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.039 7.334 4.651 1.00 0.00 H new ATOM 1083 N GLU B 620 13.211 9.650 1.285 1.00 0.00 N ATOM 1084 CA GLU B 620 13.684 10.940 0.820 1.00 0.00 C ATOM 1085 C GLU B 620 12.578 11.680 0.094 1.00 0.00 C ATOM 1086 O GLU B 620 11.802 11.082 -0.651 1.00 0.00 O ATOM 1087 CB GLU B 620 14.875 10.770 -0.118 1.00 0.00 C ATOM 1088 CG GLU B 620 15.977 9.887 0.431 1.00 0.00 C ATOM 1089 CD GLU B 620 17.102 9.714 -0.563 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.843 10.689 -0.801 1.00 0.00 O ATOM 1091 OE2 GLU B 620 17.248 8.610 -1.123 1.00 0.00 O1- ATOM 0 H GLU B 620 12.784 9.068 0.564 1.00 0.00 H new ATOM 0 HA GLU B 620 13.994 11.517 1.691 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.524 10.350 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.290 11.753 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.368 10.322 1.351 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.566 8.911 0.690 1.00 0.00 H new ATOM 1098 N ASP B 621 12.502 12.974 0.319 1.00 0.00 N ATOM 1099 CA ASP B 621 11.551 13.810 -0.387 1.00 0.00 C ATOM 1100 C ASP B 621 12.178 14.309 -1.681 1.00 0.00 C ATOM 1101 O ASP B 621 13.312 14.789 -1.692 1.00 0.00 O ATOM 1102 CB ASP B 621 11.101 14.985 0.489 1.00 0.00 C ATOM 1103 CG ASP B 621 12.245 15.897 0.894 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.079 15.478 1.728 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 12.311 17.035 0.386 1.00 0.00 O ATOM 0 H ASP B 621 13.089 13.473 0.988 1.00 0.00 H new ATOM 0 HA ASP B 621 10.667 13.219 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.353 15.567 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP B 621 10.618 14.598 1.386 1.00 0.00 H new ATOM 1110 N SER B 622 11.455 14.153 -2.774 1.00 0.00 N ATOM 1111 CA SER B 622 11.929 14.565 -4.071 1.00 0.00 C ATOM 1112 C SER B 622 11.321 15.910 -4.460 1.00 0.00 C ATOM 1113 O SER B 622 10.226 16.261 -4.017 1.00 0.00 O ATOM 1114 CB SER B 622 11.569 13.485 -5.089 1.00 0.00 C ATOM 1115 OG SER B 622 12.579 12.494 -5.173 1.00 0.00 O ATOM 0 H SER B 622 10.524 13.737 -2.782 1.00 0.00 H new ATOM 0 HA SER B 622 13.011 14.691 -4.047 1.00 0.00 H new ATOM 0 HB2 SER B 622 10.624 13.020 -4.809 1.00 0.00 H new ATOM 0 HB3 SER B 622 11.422 13.941 -6.068 1.00 0.00 H new ATOM 0 HG SER B 622 12.557 12.079 -6.061 1.00 0.00 H new ATOM 1121 N HIS B 623 12.051 16.666 -5.276 1.00 0.00 N ATOM 1122 CA HIS B 623 11.599 17.979 -5.737 1.00 0.00 C ATOM 1123 C HIS B 623 10.464 17.821 -6.736 1.00 0.00 C ATOM 1124 O HIS B 623 9.751 18.778 -7.040 1.00 0.00 O ATOM 1125 CB HIS B 623 12.768 18.757 -6.354 1.00 0.00 C ATOM 1126 CG HIS B 623 12.427 20.161 -6.764 1.00 0.00 C ATOM 1127 ND1 HIS B 623 12.316 21.203 -5.869 1.00 0.00 N ATOM 1128 CD2 HIS B 623 12.179 20.691 -7.985 1.00 0.00 C ATOM 1129 CE1 HIS B 623 12.015 22.311 -6.521 1.00 0.00 C ATOM 1130 NE2 HIS B 623 11.927 22.029 -7.805 1.00 0.00 N ATOM 0 H HIS B 623 12.965 16.390 -5.635 1.00 0.00 H new ATOM 0 HA HIS B 623 11.227 18.546 -4.883 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.587 18.789 -5.636 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.131 18.214 -7.227 1.00 0.00 H new ATOM 0 HD2 HIS B 623 12.179 20.160 -8.926 1.00 0.00 H new ATOM 0 HE1 HIS B 623 11.866 23.284 -6.077 1.00 0.00 H new ATOM 0 HE2 HIS B 623 11.707 22.696 -8.545 1.00 0.00 H new ATOM 1139 N SER B 624 10.314 16.616 -7.254 1.00 0.00 N ATOM 1140 CA SER B 624 9.142 16.268 -8.023 1.00 0.00 C ATOM 1141 C SER B 624 7.907 16.442 -7.135 1.00 0.00 C ATOM 1142 O SER B 624 7.929 16.073 -5.958 1.00 0.00 O ATOM 1143 CB SER B 624 9.269 14.831 -8.525 1.00 0.00 C ATOM 1144 OG SER B 624 10.487 14.646 -9.226 1.00 0.00 O ATOM 0 H SER B 624 10.994 15.862 -7.154 1.00 0.00 H new ATOM 0 HA SER B 624 9.044 16.918 -8.892 1.00 0.00 H new ATOM 0 HB2 SER B 624 9.222 14.142 -7.682 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.429 14.594 -9.178 1.00 0.00 H new ATOM 0 HG SER B 624 10.548 13.719 -9.537 1.00 0.00 H new ATOM 1150 N PRO B 625 6.830 17.023 -7.675 1.00 0.00 N ATOM 1151 CA PRO B 625 5.667 17.438 -6.880 1.00 0.00 C ATOM 1152 C PRO B 625 4.893 16.291 -6.260 1.00 0.00 C ATOM 1153 O PRO B 625 4.387 15.403 -6.950 1.00 0.00 O ATOM 1154 CB PRO B 625 4.829 18.217 -7.877 1.00 0.00 C ATOM 1155 CG PRO B 625 5.162 17.583 -9.166 1.00 0.00 C ATOM 1156 CD PRO B 625 6.635 17.320 -9.103 1.00 0.00 C ATOM 0 HA PRO B 625 5.966 18.019 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.765 18.141 -7.654 1.00 0.00 H new ATOM 0 HB3 PRO B 625 5.081 19.277 -7.873 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.602 16.658 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.914 18.236 -10.002 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.928 16.484 -9.738 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.218 18.183 -9.424 1.00 0.00 H new ATOM 1164 N GLY B 626 4.819 16.334 -4.939 1.00 0.00 N ATOM 1165 CA GLY B 626 4.135 15.311 -4.186 1.00 0.00 C ATOM 1166 C GLY B 626 4.850 13.984 -4.260 1.00 0.00 C ATOM 1167 O GLY B 626 4.221 12.939 -4.161 1.00 0.00 O ATOM 0 H GLY B 626 5.229 17.074 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.052 15.621 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.120 15.198 -4.566 1.00 0.00 H new ATOM 1171 N VAL B 627 6.164 14.023 -4.434 1.00 0.00 N ATOM 1172 CA VAL B 627 6.943 12.805 -4.600 1.00 0.00 C ATOM 1173 C VAL B 627 7.885 12.572 -3.430 1.00 0.00 C ATOM 1174 O VAL B 627 8.625 13.469 -3.015 1.00 0.00 O ATOM 1175 CB VAL B 627 7.773 12.829 -5.902 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.534 11.524 -6.089 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.882 13.097 -7.095 1.00 0.00 C ATOM 0 H VAL B 627 6.711 14.883 -4.464 1.00 0.00 H new ATOM 0 HA VAL B 627 6.219 11.991 -4.647 1.00 0.00 H new ATOM 0 HB VAL B 627 8.500 13.637 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL B 627 9.110 11.568 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.210 11.373 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.828 10.695 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.484 13.110 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL B 627 6.129 12.312 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.390 14.062 -6.972 1.00 0.00 H new ATOM 1187 N ALA B 628 7.840 11.363 -2.903 1.00 0.00 N ATOM 1188 CA ALA B 628 8.817 10.900 -1.941 1.00 0.00 C ATOM 1189 C ALA B 628 9.283 9.521 -2.348 1.00 0.00 C ATOM 1190 O ALA B 628 8.475 8.628 -2.608 1.00 0.00 O ATOM 1191 CB ALA B 628 8.257 10.872 -0.528 1.00 0.00 C ATOM 0 H ALA B 628 7.123 10.675 -3.132 1.00 0.00 H new ATOM 0 HA ALA B 628 9.655 11.597 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.024 10.518 0.161 1.00 0.00 H new ATOM 0 HB2 ALA B 628 7.946 11.876 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.399 10.201 -0.490 1.00 0.00 H new ATOM 1197 N VAL B 629 10.579 9.359 -2.428 1.00 0.00 N ATOM 1198 CA VAL B 629 11.152 8.090 -2.808 1.00 0.00 C ATOM 1199 C VAL B 629 11.407 7.249 -1.575 1.00 0.00 C ATOM 1200 O VAL B 629 12.221 7.599 -0.712 1.00 0.00 O ATOM 1201 CB VAL B 629 12.440 8.261 -3.645 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.194 9.496 -3.199 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.325 7.019 -3.559 1.00 0.00 C ATOM 0 H VAL B 629 11.261 10.092 -2.235 1.00 0.00 H new ATOM 0 HA VAL B 629 10.434 7.574 -3.445 1.00 0.00 H new ATOM 0 HB VAL B 629 12.154 8.388 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.099 9.605 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.563 10.375 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.463 9.398 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.223 7.170 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.607 6.844 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.778 6.155 -3.937 1.00 0.00 H new ATOM 1213 N ILE B 630 10.667 6.166 -1.475 1.00 0.00 N ATOM 1214 CA ILE B 630 10.815 5.257 -0.367 1.00 0.00 C ATOM 1215 C ILE B 630 11.837 4.185 -0.727 1.00 0.00 C ATOM 1216 O ILE B 630 11.647 3.431 -1.680 1.00 0.00 O ATOM 1217 CB ILE B 630 9.472 4.604 0.000 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.337 5.629 -0.059 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.556 3.996 1.387 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.499 6.776 0.911 1.00 0.00 C ATOM 0 H ILE B 630 9.954 5.896 -2.153 1.00 0.00 H new ATOM 0 HA ILE B 630 11.161 5.819 0.500 1.00 0.00 H new ATOM 0 HB ILE B 630 9.260 3.817 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.273 6.028 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.393 5.124 0.145 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.601 3.535 1.641 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.340 3.239 1.406 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.787 4.776 2.113 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.656 7.460 0.810 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.532 6.389 1.930 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.426 7.308 0.694 1.00 0.00 H new ATOM 1232 N GLN B 631 12.929 4.146 0.016 1.00 0.00 N ATOM 1233 CA GLN B 631 14.008 3.213 -0.257 1.00 0.00 C ATOM 1234 C GLN B 631 13.803 1.928 0.531 1.00 0.00 C ATOM 1235 O GLN B 631 13.818 1.943 1.761 1.00 0.00 O ATOM 1236 CB GLN B 631 15.350 3.851 0.101 1.00 0.00 C ATOM 1237 CG GLN B 631 16.552 2.979 -0.212 1.00 0.00 C ATOM 1238 CD GLN B 631 17.865 3.678 0.073 1.00 0.00 C ATOM 1239 OE1 GLN B 631 17.966 4.901 -0.022 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.880 2.909 0.420 1.00 0.00 N ATOM 0 H GLN B 631 13.092 4.754 0.818 1.00 0.00 H new ATOM 0 HA GLN B 631 14.008 2.970 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.448 4.793 -0.438 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.355 4.090 1.164 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.496 2.064 0.377 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.521 2.685 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.755 1.899 0.487 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.790 3.325 0.621 1.00 0.00 H new ATOM 1249 N PHE B 632 13.612 0.827 -0.178 1.00 0.00 N ATOM 1250 CA PHE B 632 13.296 -0.447 0.454 1.00 0.00 C ATOM 1251 C PHE B 632 14.439 -1.443 0.334 1.00 0.00 C ATOM 1252 O PHE B 632 15.213 -1.414 -0.619 1.00 0.00 O ATOM 1253 CB PHE B 632 12.048 -1.064 -0.178 1.00 0.00 C ATOM 1254 CG PHE B 632 10.784 -0.277 0.019 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.019 -0.448 1.157 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.346 0.609 -0.950 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.840 0.248 1.328 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.169 1.312 -0.784 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.414 1.128 0.357 1.00 0.00 C ATOM 0 H PHE B 632 13.670 0.789 -1.196 1.00 0.00 H new ATOM 0 HA PHE B 632 13.123 -0.237 1.509 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.221 -1.183 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.905 -2.062 0.235 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.348 -1.135 1.922 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.931 0.752 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.252 0.103 2.222 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.840 2.004 -1.545 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.491 1.673 0.488 1.00 0.00 H new ATOM 1269 N ALA B 633 14.534 -2.309 1.332 1.00 0.00 N ATOM 1270 CA ALA B 633 15.401 -3.467 1.283 1.00 0.00 C ATOM 1271 C ALA B 633 14.575 -4.701 0.939 1.00 0.00 C ATOM 1272 O ALA B 633 13.913 -5.279 1.803 1.00 0.00 O ATOM 1273 CB ALA B 633 16.100 -3.656 2.615 1.00 0.00 C ATOM 0 H ALA B 633 14.007 -2.224 2.201 1.00 0.00 H new ATOM 0 HA ALA B 633 16.161 -3.317 0.516 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.749 -4.530 2.565 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.698 -2.773 2.841 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.356 -3.801 3.399 1.00 0.00 H new ATOM 1279 N VAL B 634 14.601 -5.083 -0.323 1.00 0.00 N ATOM 1280 CA VAL B 634 13.792 -6.187 -0.808 1.00 0.00 C ATOM 1281 C VAL B 634 14.493 -7.525 -0.600 1.00 0.00 C ATOM 1282 O VAL B 634 15.666 -7.686 -0.946 1.00 0.00 O ATOM 1283 CB VAL B 634 13.466 -6.010 -2.304 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.644 -7.178 -2.827 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.738 -4.697 -2.538 1.00 0.00 C ATOM 0 H VAL B 634 15.179 -4.641 -1.038 1.00 0.00 H new ATOM 0 HA VAL B 634 12.866 -6.184 -0.233 1.00 0.00 H new ATOM 0 HB VAL B 634 14.407 -5.988 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.429 -7.027 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.205 -8.104 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.708 -7.242 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.516 -4.588 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.808 -4.690 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.368 -3.869 -2.213 1.00 0.00 H new ATOM 1295 N GLY B 635 13.773 -8.472 -0.021 1.00 0.00 N ATOM 1296 CA GLY B 635 14.297 -9.810 0.137 1.00 0.00 C ATOM 1297 C GLY B 635 15.207 -9.946 1.338 1.00 0.00 C ATOM 1298 O GLY B 635 15.426 -8.986 2.080 1.00 0.00 O ATOM 0 H GLY B 635 12.830 -8.336 0.344 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.468 -10.511 0.234 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.846 -10.089 -0.762 1.00 0.00 H new ATOM 1302 N GLU B 636 15.757 -11.136 1.515 1.00 0.00 N ATOM 1303 CA GLU B 636 16.600 -11.436 2.660 1.00 0.00 C ATOM 1304 C GLU B 636 17.990 -10.835 2.492 1.00 0.00 C ATOM 1305 O GLU B 636 18.702 -10.610 3.470 1.00 0.00 O ATOM 1306 CB GLU B 636 16.699 -12.943 2.848 1.00 0.00 C ATOM 1307 CG GLU B 636 15.351 -13.620 3.028 1.00 0.00 C ATOM 1308 CD GLU B 636 14.582 -13.077 4.213 1.00 0.00 C ATOM 1309 OE1 GLU B 636 13.845 -12.082 4.051 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 14.705 -13.649 5.316 1.00 0.00 O ATOM 0 H GLU B 636 15.632 -11.918 0.872 1.00 0.00 H new ATOM 0 HA GLU B 636 16.146 -10.991 3.545 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.202 -13.377 1.984 1.00 0.00 H new ATOM 0 HB3 GLU B 636 17.321 -13.153 3.718 1.00 0.00 H new ATOM 0 HG2 GLU B 636 14.758 -13.488 2.123 1.00 0.00 H new ATOM 0 HG3 GLU B 636 15.501 -14.692 3.157 1.00 0.00 H new ATOM 1317 N HIS B 637 18.367 -10.566 1.250 1.00 0.00 N ATOM 1318 CA HIS B 637 19.671 -9.979 0.960 1.00 0.00 C ATOM 1319 C HIS B 637 19.621 -8.464 1.080 1.00 0.00 C ATOM 1320 O HIS B 637 20.642 -7.786 0.953 1.00 0.00 O ATOM 1321 CB HIS B 637 20.154 -10.368 -0.440 1.00 0.00 C ATOM 1322 CG HIS B 637 20.443 -11.827 -0.598 1.00 0.00 C ATOM 1323 ND1 HIS B 637 19.833 -12.615 -1.546 1.00 0.00 N ATOM 1324 CD2 HIS B 637 21.287 -12.641 0.077 1.00 0.00 C ATOM 1325 CE1 HIS B 637 20.284 -13.849 -1.447 1.00 0.00 C ATOM 1326 NE2 HIS B 637 21.168 -13.893 -0.470 1.00 0.00 N ATOM 0 H HIS B 637 17.791 -10.744 0.427 1.00 0.00 H new ATOM 0 HA HIS B 637 20.375 -10.371 1.694 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.398 -10.077 -1.169 1.00 0.00 H new ATOM 0 HB3 HIS B 637 21.056 -9.802 -0.673 1.00 0.00 H new ATOM 0 HD2 HIS B 637 21.934 -12.358 0.894 1.00 0.00 H new ATOM 0 HE1 HIS B 637 19.981 -14.683 -2.062 1.00 0.00 H new ATOM 0 HE2 HIS B 637 21.680 -14.723 -0.170 1.00 0.00 H new ATOM 1335 N ARG B 638 18.413 -7.951 1.323 1.00 0.00 N ATOM 1336 CA ARG B 638 18.175 -6.519 1.478 1.00 0.00 C ATOM 1337 C ARG B 638 18.543 -5.761 0.208 1.00 0.00 C ATOM 1338 O ARG B 638 19.300 -4.790 0.248 1.00 0.00 O ATOM 1339 CB ARG B 638 18.948 -5.956 2.676 1.00 0.00 C ATOM 1340 CG ARG B 638 18.533 -6.555 4.007 1.00 0.00 C ATOM 1341 CD ARG B 638 19.263 -5.899 5.166 1.00 0.00 C ATOM 1342 NE ARG B 638 18.908 -6.500 6.450 1.00 0.00 N ATOM 1343 CZ ARG B 638 18.641 -5.801 7.552 1.00 0.00 C ATOM 1344 NH1 ARG B 638 18.626 -4.473 7.518 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 18.372 -6.432 8.689 1.00 0.00 N ATOM 0 H ARG B 638 17.572 -8.520 1.418 1.00 0.00 H new ATOM 0 HA ARG B 638 17.110 -6.383 1.663 1.00 0.00 H new ATOM 0 HB2 ARG B 638 20.013 -6.132 2.525 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.806 -4.876 2.714 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.458 -6.438 4.140 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.739 -7.625 4.005 1.00 0.00 H new ATOM 0 HD2 ARG B 638 20.339 -5.984 5.011 1.00 0.00 H new ATOM 0 HD3 ARG B 638 19.027 -4.835 5.187 1.00 0.00 H new ATOM 0 HE ARG B 638 18.862 -7.517 6.506 1.00 0.00 H new ATOM 0 HH11 ARG B 638 18.820 -3.983 6.645 1.00 0.00 H new ATOM 0 HH12 ARG B 638 18.421 -3.943 8.365 1.00 0.00 H new ATOM 0 HH21 ARG B 638 18.370 -7.452 8.718 1.00 0.00 H new ATOM 0 HH22 ARG B 638 18.168 -5.897 9.533 1.00 0.00 H new ATOM 1359 N ALA B 639 17.996 -6.201 -0.918 1.00 0.00 N ATOM 1360 CA ALA B 639 18.259 -5.556 -2.193 1.00 0.00 C ATOM 1361 C ALA B 639 17.645 -4.169 -2.199 1.00 0.00 C ATOM 1362 O ALA B 639 16.439 -4.015 -2.007 1.00 0.00 O ATOM 1363 CB ALA B 639 17.714 -6.387 -3.342 1.00 0.00 C ATOM 0 H ALA B 639 17.367 -7.003 -0.972 1.00 0.00 H new ATOM 0 HA ALA B 639 19.337 -5.469 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA B 639 17.923 -5.884 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.191 -7.367 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.637 -6.507 -3.225 1.00 0.00 H new ATOM 1369 N GLN B 640 18.479 -3.167 -2.395 1.00 0.00 N ATOM 1370 CA GLN B 640 18.030 -1.791 -2.313 1.00 0.00 C ATOM 1371 C GLN B 640 17.172 -1.403 -3.489 1.00 0.00 C ATOM 1372 O GLN B 640 17.380 -1.857 -4.614 1.00 0.00 O ATOM 1373 CB GLN B 640 19.190 -0.828 -2.205 1.00 0.00 C ATOM 1374 CG GLN B 640 19.702 -0.668 -0.795 1.00 0.00 C ATOM 1375 CD GLN B 640 18.615 -0.739 0.253 1.00 0.00 C ATOM 1376 OE1 GLN B 640 18.006 0.271 0.597 1.00 0.00 O ATOM 1377 NE2 GLN B 640 18.386 -1.917 0.795 1.00 0.00 N ATOM 0 H GLN B 640 19.469 -3.279 -2.612 1.00 0.00 H new ATOM 0 HA GLN B 640 17.429 -1.726 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN B 640 20.003 -1.176 -2.842 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.882 0.146 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN B 640 20.440 -1.445 -0.595 1.00 0.00 H new ATOM 0 HG3 GLN B 640 20.216 0.290 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN B 640 18.912 -2.733 0.483 1.00 0.00 H new ATOM 0 HE22 GLN B 640 17.682 -2.013 1.527 1.00 0.00 H new ATOM 1386 N VAL B 641 16.228 -0.533 -3.206 1.00 0.00 N ATOM 1387 CA VAL B 641 15.274 -0.059 -4.194 1.00 0.00 C ATOM 1388 C VAL B 641 14.856 1.362 -3.861 1.00 0.00 C ATOM 1389 O VAL B 641 14.244 1.607 -2.823 1.00 0.00 O ATOM 1390 CB VAL B 641 14.006 -0.946 -4.265 1.00 0.00 C ATOM 1391 CG1 VAL B 641 12.956 -0.313 -5.165 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.343 -2.340 -4.761 1.00 0.00 C ATOM 0 H VAL B 641 16.097 -0.129 -2.278 1.00 0.00 H new ATOM 0 HA VAL B 641 15.771 -0.101 -5.163 1.00 0.00 H new ATOM 0 HB VAL B 641 13.601 -1.027 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.074 -0.952 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.680 0.665 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.361 -0.197 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.435 -2.941 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL B 641 14.780 -2.276 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.057 -2.805 -4.081 1.00 0.00 H new ATOM 1402 N SER B 642 15.207 2.293 -4.724 1.00 0.00 N ATOM 1403 CA SER B 642 14.776 3.665 -4.564 1.00 0.00 C ATOM 1404 C SER B 642 13.661 3.963 -5.557 1.00 0.00 C ATOM 1405 O SER B 642 13.906 4.132 -6.754 1.00 0.00 O ATOM 1406 CB SER B 642 15.959 4.617 -4.761 1.00 0.00 C ATOM 1407 OG SER B 642 16.586 4.413 -6.018 1.00 0.00 O ATOM 0 H SER B 642 15.790 2.124 -5.544 1.00 0.00 H new ATOM 0 HA SER B 642 14.393 3.813 -3.554 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.614 5.648 -4.688 1.00 0.00 H new ATOM 0 HB3 SER B 642 16.685 4.467 -3.962 1.00 0.00 H new ATOM 0 HG SER B 642 15.904 4.373 -6.721 1.00 0.00 H new ATOM 1413 N VAL B 643 12.434 4.006 -5.067 1.00 0.00 N ATOM 1414 CA VAL B 643 11.295 4.226 -5.923 1.00 0.00 C ATOM 1415 C VAL B 643 10.618 5.559 -5.597 1.00 0.00 C ATOM 1416 O VAL B 643 10.203 5.805 -4.464 1.00 0.00 O ATOM 1417 CB VAL B 643 10.299 3.053 -5.803 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.849 2.838 -4.364 1.00 0.00 C ATOM 1419 CG2 VAL B 643 9.111 3.271 -6.708 1.00 0.00 C ATOM 0 H VAL B 643 12.207 3.891 -4.079 1.00 0.00 H new ATOM 0 HA VAL B 643 11.642 4.274 -6.955 1.00 0.00 H new ATOM 0 HB VAL B 643 10.817 2.148 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.149 2.004 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.715 2.616 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.360 3.740 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.420 2.434 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.604 4.194 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.449 3.343 -7.742 1.00 0.00 H new ATOM 1429 N GLU B 644 10.524 6.422 -6.600 1.00 0.00 N ATOM 1430 CA GLU B 644 9.927 7.738 -6.428 1.00 0.00 C ATOM 1431 C GLU B 644 8.418 7.653 -6.612 1.00 0.00 C ATOM 1432 O GLU B 644 7.920 7.548 -7.733 1.00 0.00 O ATOM 1433 CB GLU B 644 10.537 8.724 -7.428 1.00 0.00 C ATOM 1434 CG GLU B 644 12.011 8.996 -7.178 1.00 0.00 C ATOM 1435 CD GLU B 644 12.668 9.762 -8.305 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.839 9.181 -9.401 1.00 0.00 O ATOM 1437 OE2 GLU B 644 13.036 10.935 -8.097 1.00 0.00 O1- ATOM 0 H GLU B 644 10.856 6.232 -7.546 1.00 0.00 H new ATOM 0 HA GLU B 644 10.133 8.095 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.413 8.331 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.988 9.664 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.119 9.559 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.531 8.049 -7.038 1.00 0.00 H new ATOM 1444 N VAL B 645 7.700 7.686 -5.505 1.00 0.00 N ATOM 1445 CA VAL B 645 6.271 7.518 -5.505 1.00 0.00 C ATOM 1446 C VAL B 645 5.592 8.790 -5.012 1.00 0.00 C ATOM 1447 O VAL B 645 6.174 9.543 -4.230 1.00 0.00 O ATOM 1448 CB VAL B 645 5.916 6.337 -4.585 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.479 6.411 -4.153 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.205 5.015 -5.276 1.00 0.00 C ATOM 0 H VAL B 645 8.101 7.831 -4.578 1.00 0.00 H new ATOM 0 HA VAL B 645 5.923 7.316 -6.518 1.00 0.00 H new ATOM 0 HB VAL B 645 6.540 6.399 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.250 5.566 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.309 7.342 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.833 6.379 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.947 4.192 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.611 4.943 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.264 4.960 -5.528 1.00 0.00 H new ATOM 1460 N LEU B 646 4.372 9.044 -5.475 1.00 0.00 N ATOM 1461 CA LEU B 646 3.619 10.176 -4.967 1.00 0.00 C ATOM 1462 C LEU B 646 3.188 9.908 -3.536 1.00 0.00 C ATOM 1463 O LEU B 646 2.740 8.813 -3.202 1.00 0.00 O ATOM 1464 CB LEU B 646 2.388 10.520 -5.813 1.00 0.00 C ATOM 1465 CG LEU B 646 2.671 11.009 -7.232 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.591 11.976 -7.687 1.00 0.00 C ATOM 1467 CD2 LEU B 646 4.025 11.669 -7.319 1.00 0.00 C ATOM 0 H LEU B 646 3.895 8.491 -6.187 1.00 0.00 H new ATOM 0 HA LEU B 646 4.287 11.036 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.754 9.636 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.816 11.288 -5.292 1.00 0.00 H new ATOM 0 HG LEU B 646 2.670 10.141 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.809 12.314 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.624 11.474 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.565 12.834 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.200 12.007 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU B 646 4.057 12.524 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.797 10.954 -7.037 1.00 0.00 H new ATOM 1479 N VAL B 647 3.307 10.926 -2.706 1.00 0.00 N ATOM 1480 CA VAL B 647 3.058 10.801 -1.278 1.00 0.00 C ATOM 1481 C VAL B 647 1.590 10.499 -0.962 1.00 0.00 C ATOM 1482 O VAL B 647 1.239 10.246 0.186 1.00 0.00 O ATOM 1483 CB VAL B 647 3.500 12.074 -0.527 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.007 12.245 -0.609 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.797 13.304 -1.081 1.00 0.00 C ATOM 0 H VAL B 647 3.579 11.864 -3.000 1.00 0.00 H new ATOM 0 HA VAL B 647 3.652 9.954 -0.936 1.00 0.00 H new ATOM 0 HB VAL B 647 3.218 11.963 0.520 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.300 13.148 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.496 11.381 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.307 12.329 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.126 14.188 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL B 647 3.042 13.418 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.719 13.188 -0.969 1.00 0.00 H new ATOM 1495 N GLU B 648 0.739 10.515 -1.981 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.673 10.211 -1.793 1.00 0.00 C ATOM 1497 C GLU B 648 -0.937 8.712 -1.885 1.00 0.00 C ATOM 1498 O GLU B 648 -2.039 8.258 -1.575 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.536 10.963 -2.811 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.056 10.837 -4.246 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.987 11.509 -5.232 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -2.136 12.746 -5.162 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.556 10.811 -6.095 1.00 0.00 O1- ATOM 0 H GLU B 648 1.001 10.734 -2.942 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.946 10.543 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.559 10.592 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.562 12.018 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.062 11.276 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -0.961 9.782 -4.502 1.00 0.00 H new ATOM 1510 N TYR B 649 0.069 7.945 -2.308 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.073 6.506 -2.413 1.00 0.00 C ATOM 1512 C TYR B 649 -0.018 5.855 -1.036 1.00 0.00 C ATOM 1513 O TYR B 649 0.995 5.945 -0.339 1.00 0.00 O ATOM 1514 CB TYR B 649 1.015 5.923 -3.314 1.00 0.00 C ATOM 1515 CG TYR B 649 0.746 6.118 -4.789 1.00 0.00 C ATOM 1516 CD1 TYR B 649 -0.029 5.209 -5.499 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.262 7.209 -5.470 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.279 5.385 -6.847 1.00 0.00 C ATOM 1519 CE2 TYR B 649 1.017 7.392 -6.816 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.247 6.480 -7.499 1.00 0.00 C ATOM 1521 OH TYR B 649 0.007 6.663 -8.840 1.00 0.00 O ATOM 0 H TYR B 649 0.985 8.302 -2.581 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.046 6.295 -2.857 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.970 6.385 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.113 4.857 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -0.443 4.351 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR B 649 1.867 7.929 -4.938 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -0.882 4.670 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR B 649 1.428 8.248 -7.331 1.00 0.00 H new ATOM 0 HH TYR B 649 0.449 7.484 -9.143 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.113 5.200 -0.621 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.179 4.514 0.654 1.00 0.00 C ATOM 1533 C PRO B 650 -0.607 3.107 0.565 1.00 0.00 C ATOM 1534 O PRO B 650 -1.159 2.247 -0.111 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.678 4.463 0.969 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.393 4.952 -0.255 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.373 5.065 -1.353 1.00 0.00 C ATOM 0 HA PRO B 650 -0.596 5.022 1.422 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.987 3.448 1.218 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.914 5.088 1.830 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.187 4.261 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -3.863 5.917 -0.066 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.374 4.185 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.562 5.927 -1.992 1.00 0.00 H new ATOM 1545 N PHE B 651 0.497 2.881 1.249 1.00 0.00 N ATOM 1546 CA PHE B 651 1.159 1.591 1.216 1.00 0.00 C ATOM 1547 C PHE B 651 0.654 0.691 2.329 1.00 0.00 C ATOM 1548 O PHE B 651 0.637 1.074 3.504 1.00 0.00 O ATOM 1549 CB PHE B 651 2.673 1.756 1.332 1.00 0.00 C ATOM 1550 CG PHE B 651 3.313 2.323 0.100 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.367 3.689 -0.104 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.860 1.484 -0.855 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.957 4.209 -1.238 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.451 1.997 -1.990 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.499 3.361 -2.182 1.00 0.00 C ATOM 0 H PHE B 651 0.956 3.577 1.837 1.00 0.00 H new ATOM 0 HA PHE B 651 0.926 1.125 0.258 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.895 2.406 2.178 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.120 0.786 1.549 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.943 4.356 0.632 1.00 0.00 H new ATOM 0 HD2 PHE B 651 3.823 0.414 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.994 5.278 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE B 651 4.875 1.331 -2.727 1.00 0.00 H new ATOM 0 HZ PHE B 651 4.960 3.766 -3.071 1.00 0.00 H new ATOM 1565 N PHE B 652 0.226 -0.499 1.953 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.143 -1.502 2.926 1.00 0.00 C ATOM 1567 C PHE B 652 1.119 -2.075 3.545 1.00 0.00 C ATOM 1568 O PHE B 652 2.059 -2.430 2.836 1.00 0.00 O ATOM 1569 CB PHE B 652 -0.981 -2.601 2.281 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.315 -2.753 2.940 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.408 -3.308 4.201 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.469 -2.318 2.313 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.629 -3.433 4.826 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.694 -2.436 2.936 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.774 -2.996 4.194 1.00 0.00 C ATOM 0 H PHE B 652 0.126 -0.792 0.981 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.752 -1.044 3.706 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.123 -2.375 1.224 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.441 -3.546 2.335 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.514 -3.648 4.703 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.410 -1.882 1.327 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.690 -3.873 5.810 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.589 -2.091 2.440 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.732 -3.092 4.683 1.00 0.00 H new ATOM 1585 N VAL B 653 1.152 -2.149 4.863 1.00 0.00 N ATOM 1586 CA VAL B 653 2.383 -2.471 5.555 1.00 0.00 C ATOM 1587 C VAL B 653 2.312 -3.854 6.227 1.00 0.00 C ATOM 1588 O VAL B 653 1.473 -4.098 7.096 1.00 0.00 O ATOM 1589 CB VAL B 653 2.728 -1.363 6.577 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.148 -1.478 7.047 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.537 0.014 5.981 1.00 0.00 C ATOM 0 H VAL B 653 0.347 -1.992 5.470 1.00 0.00 H new ATOM 0 HA VAL B 653 3.184 -2.519 4.817 1.00 0.00 H new ATOM 0 HB VAL B 653 2.050 -1.496 7.420 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.359 -0.685 7.764 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.296 -2.447 7.523 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.822 -1.386 6.195 1.00 0.00 H new ATOM 0 HG21 VAL B 653 2.788 0.770 6.725 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.187 0.128 5.114 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.498 0.137 5.675 1.00 0.00 H new ATOM 1601 N PHE B 654 3.247 -4.721 5.822 1.00 0.00 N ATOM 1602 CA PHE B 654 3.290 -6.161 6.142 1.00 0.00 C ATOM 1603 C PHE B 654 3.266 -6.478 7.641 1.00 0.00 C ATOM 1604 O PHE B 654 4.312 -6.629 8.270 1.00 0.00 O ATOM 1605 CB PHE B 654 4.563 -6.754 5.517 1.00 0.00 C ATOM 1606 CG PHE B 654 4.639 -8.254 5.594 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.653 -9.043 5.024 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.699 -8.875 6.236 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.723 -10.420 5.092 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.774 -10.253 6.306 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.784 -11.026 5.735 1.00 0.00 C ATOM 0 H PHE B 654 4.030 -4.430 5.237 1.00 0.00 H new ATOM 0 HA PHE B 654 2.383 -6.605 5.731 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.618 -6.451 4.472 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.433 -6.330 6.018 1.00 0.00 H new ATOM 0 HD1 PHE B 654 2.820 -8.575 4.521 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.475 -8.275 6.687 1.00 0.00 H new ATOM 0 HE1 PHE B 654 2.948 -11.023 4.642 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.607 -10.724 6.807 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.839 -12.103 5.791 1.00 0.00 H new ATOM 1621 N GLY B 655 2.079 -6.614 8.205 1.00 0.00 N ATOM 1622 CA GLY B 655 1.972 -6.942 9.613 1.00 0.00 C ATOM 1623 C GLY B 655 2.094 -5.716 10.492 1.00 0.00 C ATOM 1624 O GLY B 655 2.227 -5.824 11.711 1.00 0.00 O ATOM 0 H GLY B 655 1.189 -6.504 7.718 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.015 -7.428 9.800 1.00 0.00 H new ATOM 0 HA3 GLY B 655 2.750 -7.657 9.879 1.00 0.00 H new ATOM 1628 N GLN B 656 2.037 -4.546 9.872 1.00 0.00 N ATOM 1629 CA GLN B 656 2.172 -3.291 10.598 1.00 0.00 C ATOM 1630 C GLN B 656 0.863 -2.509 10.580 1.00 0.00 C ATOM 1631 O GLN B 656 0.442 -1.981 11.608 1.00 0.00 O ATOM 1632 CB GLN B 656 3.313 -2.449 10.020 1.00 0.00 C ATOM 1633 CG GLN B 656 4.699 -2.992 10.324 1.00 0.00 C ATOM 1634 CD GLN B 656 5.446 -3.490 9.104 1.00 0.00 C ATOM 1635 OE1 GLN B 656 6.668 -3.403 9.043 1.00 0.00 O ATOM 1636 NE2 GLN B 656 4.706 -4.009 8.135 1.00 0.00 N ATOM 0 H GLN B 656 1.898 -4.439 8.867 1.00 0.00 H new ATOM 0 HA GLN B 656 2.413 -3.526 11.635 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.190 -2.382 8.939 1.00 0.00 H new ATOM 0 HB3 GLN B 656 3.237 -1.435 10.413 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.287 -2.210 10.804 1.00 0.00 H new ATOM 0 HG3 GLN B 656 4.609 -3.808 11.041 1.00 0.00 H new ATOM 0 HE21 GLN B 656 3.692 -4.057 8.237 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.150 -4.360 7.287 1.00 0.00 H new ATOM 1645 N GLY B 657 0.213 -2.440 9.421 1.00 0.00 N ATOM 1646 CA GLY B 657 -1.076 -1.781 9.355 1.00 0.00 C ATOM 1647 C GLY B 657 -1.372 -1.147 8.007 1.00 0.00 C ATOM 1648 O GLY B 657 -0.875 -1.600 6.971 1.00 0.00 O ATOM 0 H GLY B 657 0.552 -2.824 8.539 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.857 -2.506 9.584 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -1.120 -1.011 10.126 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.180 -0.095 8.040 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.661 0.578 6.841 1.00 0.00 C ATOM 1654 C TRP B 658 -2.086 2.000 6.805 1.00 0.00 C ATOM 1655 O TRP B 658 -2.510 2.866 7.571 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.204 0.582 6.880 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.909 0.965 5.608 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.237 1.254 5.507 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.375 1.087 4.275 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.568 1.542 4.211 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.449 1.452 3.436 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.108 0.929 3.700 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.293 1.658 2.072 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.962 1.136 2.345 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.048 1.495 1.545 1.00 0.00 C ATOM 0 H TRP B 658 -2.523 0.318 8.907 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.337 0.065 5.935 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.540 -0.414 7.169 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.523 1.267 7.666 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.931 1.255 6.334 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.501 1.785 3.878 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.260 0.650 4.308 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.130 1.938 1.450 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -1.988 1.018 1.893 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.898 1.647 0.486 1.00 0.00 H new ATOM 1676 N SER B 659 -1.112 2.243 5.927 1.00 0.00 N ATOM 1677 CA SER B 659 -0.324 3.467 5.998 1.00 0.00 C ATOM 1678 C SER B 659 -0.190 4.162 4.642 1.00 0.00 C ATOM 1679 O SER B 659 -0.571 3.619 3.616 1.00 0.00 O ATOM 1680 CB SER B 659 1.067 3.143 6.551 1.00 0.00 C ATOM 1681 OG SER B 659 0.983 2.540 7.831 1.00 0.00 O ATOM 0 H SER B 659 -0.854 1.614 5.167 1.00 0.00 H new ATOM 0 HA SER B 659 -0.849 4.156 6.660 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.587 2.475 5.865 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.658 4.057 6.615 1.00 0.00 H new ATOM 0 HG SER B 659 1.885 2.342 8.159 1.00 0.00 H new ATOM 1687 N SER B 660 0.321 5.389 4.672 1.00 0.00 N ATOM 1688 CA SER B 660 0.607 6.155 3.467 1.00 0.00 C ATOM 1689 C SER B 660 1.813 7.057 3.697 1.00 0.00 C ATOM 1690 O SER B 660 2.117 7.421 4.837 1.00 0.00 O ATOM 1691 CB SER B 660 -0.611 6.999 3.078 1.00 0.00 C ATOM 1692 OG SER B 660 -0.348 7.798 1.939 1.00 0.00 O ATOM 0 H SER B 660 0.549 5.880 5.536 1.00 0.00 H new ATOM 0 HA SER B 660 0.831 5.463 2.655 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.459 6.344 2.876 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.894 7.638 3.914 1.00 0.00 H new ATOM 0 HG SER B 660 -1.172 8.247 1.657 1.00 0.00 H new ATOM 1698 N CYS B 661 2.499 7.402 2.610 1.00 0.00 N ATOM 1699 CA CYS B 661 3.666 8.279 2.666 1.00 0.00 C ATOM 1700 C CYS B 661 3.261 9.678 3.107 1.00 0.00 C ATOM 1701 O CYS B 661 4.097 10.483 3.521 1.00 0.00 O ATOM 1702 CB CYS B 661 4.341 8.340 1.299 1.00 0.00 C ATOM 1703 SG CYS B 661 4.935 6.742 0.707 1.00 0.00 S ATOM 0 H CYS B 661 2.263 7.084 1.670 1.00 0.00 H new ATOM 0 HA CYS B 661 4.369 7.874 3.394 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.636 8.746 0.574 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.181 9.033 1.350 1.00 0.00 H new ATOM 0 HG CYS B 661 3.935 6.051 0.247 1.00 0.00 H new ATOM 1709 N CYS B 662 1.973 9.955 3.001 1.00 0.00 N ATOM 1710 CA CYS B 662 1.407 11.197 3.474 1.00 0.00 C ATOM 1711 C CYS B 662 -0.082 11.002 3.698 1.00 0.00 C ATOM 1712 O CYS B 662 -0.897 11.280 2.815 1.00 0.00 O ATOM 1713 CB CYS B 662 1.661 12.340 2.487 1.00 0.00 C ATOM 1714 SG CYS B 662 0.988 13.936 3.010 1.00 0.00 S ATOM 0 H CYS B 662 1.292 9.321 2.583 1.00 0.00 H new ATOM 0 HA CYS B 662 1.888 11.472 4.412 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.736 12.443 2.337 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.229 12.075 1.522 1.00 0.00 H new ATOM 0 HG CYS B 662 1.256 14.836 2.111 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.447 10.486 4.882 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.841 10.233 5.243 1.00 0.00 C ATOM 1722 C PRO B 663 -2.710 11.454 5.030 1.00 0.00 C ATOM 1723 O PRO B 663 -3.862 11.341 4.623 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.769 9.896 6.725 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.399 9.355 6.925 1.00 0.00 C ATOM 1726 CD PRO B 663 0.480 10.106 5.966 1.00 0.00 C ATOM 0 HA PRO B 663 -2.284 9.445 4.634 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.939 10.779 7.340 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.528 9.164 7.002 1.00 0.00 H new ATOM 0 HG2 PRO B 663 -0.068 9.498 7.954 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.369 8.284 6.727 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.931 10.981 6.434 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.296 9.485 5.598 1.00 0.00 H new ATOM 1734 N GLU B 664 -2.131 12.617 5.302 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.813 13.886 5.126 1.00 0.00 C ATOM 1736 C GLU B 664 -3.354 14.010 3.714 1.00 0.00 C ATOM 1737 O GLU B 664 -4.537 14.234 3.522 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.857 15.037 5.414 1.00 0.00 C ATOM 1739 CG GLU B 664 -1.248 14.977 6.799 1.00 0.00 C ATOM 1740 CD GLU B 664 -0.151 15.998 6.993 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -0.466 17.183 7.212 1.00 0.00 O1- ATOM 1742 OE2 GLU B 664 1.035 15.618 6.905 1.00 0.00 O ATOM 0 H GLU B 664 -1.176 12.703 5.650 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.648 13.928 5.825 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -1.058 15.031 4.673 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -2.390 15.981 5.300 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -2.028 15.140 7.543 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -0.846 13.979 6.973 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.487 13.824 2.731 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.871 13.974 1.332 1.00 0.00 C ATOM 1751 C ARG B 665 -3.869 12.893 0.909 1.00 0.00 C ATOM 1752 O ARG B 665 -4.829 13.180 0.189 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.632 13.948 0.435 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.935 14.177 -1.037 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.657 14.321 -1.845 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.913 14.348 -3.285 1.00 0.00 N ATOM 1757 CZ ARG B 665 -0.297 15.156 -4.145 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.591 16.047 -3.721 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -0.576 15.062 -5.437 1.00 0.00 N ATOM 0 H ARG B 665 -1.510 13.568 2.874 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.364 14.940 1.219 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.933 14.712 0.775 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.133 12.985 0.548 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.521 13.344 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.543 15.074 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.145 15.238 -1.552 1.00 0.00 H new ATOM 0 HD3 ARG B 665 0.013 13.493 -1.612 1.00 0.00 H new ATOM 0 HE ARG B 665 -1.611 13.704 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG B 665 0.808 16.118 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG B 665 1.057 16.661 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -1.257 14.376 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG B 665 -0.110 15.676 -6.105 1.00 0.00 H new ATOM 1773 N THR B 666 -3.659 11.658 1.359 1.00 0.00 N ATOM 1774 CA THR B 666 -4.579 10.573 1.034 1.00 0.00 C ATOM 1775 C THR B 666 -5.975 10.865 1.604 1.00 0.00 C ATOM 1776 O THR B 666 -6.983 10.687 0.918 1.00 0.00 O ATOM 1777 CB THR B 666 -4.061 9.211 1.552 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.672 9.071 1.219 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.842 8.051 0.934 1.00 0.00 C ATOM 0 H THR B 666 -2.868 11.386 1.943 1.00 0.00 H new ATOM 0 HA THR B 666 -4.645 10.511 -0.052 1.00 0.00 H new ATOM 0 HB THR B 666 -4.197 9.184 2.633 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.586 8.801 0.281 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.455 7.107 1.317 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.897 8.143 1.194 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.732 8.075 -0.150 1.00 0.00 H new ATOM 1787 N SER B 667 -6.031 11.348 2.843 1.00 0.00 N ATOM 1788 CA SER B 667 -7.296 11.708 3.464 1.00 0.00 C ATOM 1789 C SER B 667 -7.844 13.023 2.895 1.00 0.00 C ATOM 1790 O SER B 667 -9.054 13.225 2.822 1.00 0.00 O ATOM 1791 CB SER B 667 -7.115 11.818 4.974 1.00 0.00 C ATOM 1792 OG SER B 667 -6.001 12.624 5.305 1.00 0.00 O ATOM 0 H SER B 667 -5.213 11.498 3.434 1.00 0.00 H new ATOM 0 HA SER B 667 -8.021 10.925 3.243 1.00 0.00 H new ATOM 0 HB2 SER B 667 -8.016 12.240 5.420 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.985 10.823 5.399 1.00 0.00 H new ATOM 0 HG SER B 667 -5.204 12.060 5.394 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.944 13.918 2.521 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.304 15.189 1.911 1.00 0.00 C ATOM 1800 C GLN B 668 -8.129 15.012 0.647 1.00 0.00 C ATOM 1801 O GLN B 668 -9.215 15.582 0.512 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.030 15.950 1.555 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.589 16.933 2.610 1.00 0.00 C ATOM 1804 CD GLN B 668 -4.367 17.712 2.200 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -3.233 17.296 2.440 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -4.585 18.848 1.577 1.00 0.00 N ATOM 0 H GLN B 668 -5.939 13.783 2.632 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.907 15.739 2.633 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.227 15.233 1.382 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.188 16.484 0.618 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.404 17.626 2.819 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.380 16.397 3.536 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -5.541 19.156 1.398 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -3.799 19.422 1.272 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.618 14.205 -0.261 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.176 14.121 -1.599 1.00 0.00 C ATOM 1817 C LEU B 669 -9.137 12.951 -1.725 1.00 0.00 C ATOM 1818 O LEU B 669 -10.157 13.034 -2.408 1.00 0.00 O ATOM 1819 CB LEU B 669 -7.040 13.968 -2.611 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.815 14.850 -2.347 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.767 14.654 -3.432 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.209 16.318 -2.229 1.00 0.00 C ATOM 0 H LEU B 669 -6.816 13.596 -0.098 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.733 15.036 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.722 12.925 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.426 14.196 -3.605 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.380 14.545 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.906 15.289 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.452 13.611 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.191 14.921 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.320 16.920 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.679 16.644 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.911 16.441 -1.404 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.804 11.863 -1.057 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.544 10.619 -1.199 1.00 0.00 C ATOM 1836 C PHE B 670 -10.325 10.297 0.069 1.00 0.00 C ATOM 1837 O PHE B 670 -11.022 9.281 0.138 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.557 9.499 -1.536 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.707 9.829 -2.731 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -8.258 9.877 -4.001 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.358 10.112 -2.579 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.480 10.196 -5.098 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.576 10.433 -3.672 1.00 0.00 C ATOM 1844 CZ PHE B 670 -6.138 10.473 -4.933 1.00 0.00 C ATOM 0 H PHE B 670 -8.021 11.814 -0.406 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.272 10.719 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.914 9.313 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.107 8.578 -1.728 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.308 9.663 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.914 10.081 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.922 10.228 -6.083 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.527 10.652 -3.540 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.528 10.721 -5.789 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.192 11.175 1.067 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.866 11.029 2.366 1.00 0.00 C ATOM 1856 C ASP B 671 -10.423 9.771 3.103 1.00 0.00 C ATOM 1857 O ASP B 671 -10.966 9.437 4.155 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.389 11.031 2.212 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.980 12.424 2.192 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -13.045 13.041 1.110 1.00 0.00 O ATOM 1861 OD2 ASP B 671 -13.398 12.909 3.265 1.00 0.00 O1- ATOM 0 H ASP B 671 -9.612 12.011 0.999 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.573 11.893 2.962 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.656 10.516 1.289 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.832 10.466 3.032 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.422 9.094 2.572 1.00 0.00 N ATOM 1867 CA LEU B 672 -8.975 7.838 3.138 1.00 0.00 C ATOM 1868 C LEU B 672 -7.868 8.068 4.165 1.00 0.00 C ATOM 1869 O LEU B 672 -6.773 8.516 3.820 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.493 6.900 2.029 1.00 0.00 C ATOM 1871 CG LEU B 672 -7.977 5.551 2.522 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.124 4.720 3.074 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.259 4.808 1.407 1.00 0.00 C ATOM 0 H LEU B 672 -8.903 9.395 1.747 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.817 7.371 3.649 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.314 6.728 1.333 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.700 7.396 1.470 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.260 5.726 3.324 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.743 3.760 3.422 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.589 5.249 3.906 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.863 4.554 2.290 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -6.900 3.849 1.781 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -7.948 4.639 0.580 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.414 5.402 1.060 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.140 7.763 5.441 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.181 7.963 6.519 1.00 0.00 C ATOM 1887 C PRO B 673 -6.138 6.851 6.574 1.00 0.00 C ATOM 1888 O PRO B 673 -6.461 5.666 6.451 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.054 7.960 7.771 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.232 7.112 7.426 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.403 7.181 5.929 1.00 0.00 C ATOM 0 HA PRO B 673 -6.604 8.880 6.396 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.514 7.554 8.626 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.362 8.971 8.039 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.074 6.083 7.749 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.127 7.471 7.933 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.576 6.193 5.503 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.257 7.800 5.655 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.887 7.244 6.750 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.777 6.303 6.762 1.00 0.00 C ATOM 1901 C CYS B 674 -2.858 6.574 7.945 1.00 0.00 C ATOM 1902 O CYS B 674 -2.830 7.680 8.485 1.00 0.00 O ATOM 1903 CB CYS B 674 -2.981 6.427 5.457 1.00 0.00 C ATOM 1904 SG CYS B 674 -4.004 6.390 3.966 1.00 0.00 S ATOM 0 H CYS B 674 -4.613 8.217 6.888 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.178 5.294 6.853 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.416 7.359 5.475 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.255 5.615 5.408 1.00 0.00 H new ATOM 0 HG CYS B 674 -4.982 7.238 4.089 1.00 0.00 H new ATOM 1910 N SER B 675 -2.141 5.549 8.365 1.00 0.00 N ATOM 1911 CA SER B 675 -1.047 5.718 9.302 1.00 0.00 C ATOM 1912 C SER B 675 0.181 6.162 8.523 1.00 0.00 C ATOM 1913 O SER B 675 0.211 6.041 7.302 1.00 0.00 O ATOM 1914 CB SER B 675 -0.778 4.409 10.044 1.00 0.00 C ATOM 1915 OG SER B 675 -1.938 3.976 10.735 1.00 0.00 O ATOM 0 H SER B 675 -2.298 4.585 8.070 1.00 0.00 H new ATOM 0 HA SER B 675 -1.301 6.472 10.047 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.463 3.642 9.336 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.041 4.547 10.750 1.00 0.00 H new ATOM 0 HG SER B 675 -1.746 3.136 11.202 1.00 0.00 H new ATOM 1921 N LYS B 676 1.171 6.715 9.192 1.00 0.00 N ATOM 1922 CA LYS B 676 2.348 7.185 8.490 1.00 0.00 C ATOM 1923 C LYS B 676 3.226 6.021 8.058 1.00 0.00 C ATOM 1924 O LYS B 676 3.725 5.262 8.889 1.00 0.00 O ATOM 1925 CB LYS B 676 3.161 8.157 9.344 1.00 0.00 C ATOM 1926 CG LYS B 676 4.425 8.640 8.649 1.00 0.00 C ATOM 1927 CD LYS B 676 4.099 9.325 7.328 1.00 0.00 C ATOM 1928 CE LYS B 676 5.351 9.820 6.625 1.00 0.00 C ATOM 1929 NZ LYS B 676 6.038 10.886 7.400 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.187 6.849 10.203 1.00 0.00 H new ATOM 0 HA LYS B 676 2.001 7.715 7.603 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.541 9.017 9.598 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.431 7.671 10.282 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.959 9.333 9.299 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.090 7.795 8.469 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.569 8.628 6.679 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.428 10.165 7.510 1.00 0.00 H new ATOM 0 HE2 LYS B 676 6.035 8.985 6.471 1.00 0.00 H new ATOM 0 HE3 LYS B 676 5.087 10.201 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.773 11.325 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 5.346 11.608 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.476 10.472 8.247 1.00 0.00 H new ATOM 1943 N LEU B 677 3.401 5.883 6.753 1.00 0.00 N ATOM 1944 CA LEU B 677 4.338 4.920 6.213 1.00 0.00 C ATOM 1945 C LEU B 677 5.745 5.462 6.437 1.00 0.00 C ATOM 1946 O LEU B 677 6.138 6.462 5.837 1.00 0.00 O ATOM 1947 CB LEU B 677 4.042 4.662 4.720 1.00 0.00 C ATOM 1948 CG LEU B 677 4.912 3.606 4.012 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.260 4.177 3.596 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.103 2.387 4.900 1.00 0.00 C ATOM 0 H LEU B 677 2.903 6.429 6.050 1.00 0.00 H new ATOM 0 HA LEU B 677 4.243 3.958 6.717 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.999 4.360 4.628 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.149 5.605 4.184 1.00 0.00 H new ATOM 0 HG LEU B 677 4.387 3.302 3.106 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.846 3.403 3.100 1.00 0.00 H new ATOM 0 HD12 LEU B 677 6.106 5.011 2.911 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.795 4.527 4.479 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.720 1.653 4.382 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.594 2.685 5.826 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.132 1.948 5.129 1.00 0.00 H new ATOM 1962 N SER B 678 6.477 4.827 7.335 1.00 0.00 N ATOM 1963 CA SER B 678 7.778 5.326 7.742 1.00 0.00 C ATOM 1964 C SER B 678 8.866 4.284 7.576 1.00 0.00 C ATOM 1965 O SER B 678 8.590 3.098 7.409 1.00 0.00 O ATOM 1966 CB SER B 678 7.714 5.778 9.199 1.00 0.00 C ATOM 1967 OG SER B 678 7.162 4.764 10.029 1.00 0.00 O ATOM 0 H SER B 678 6.192 3.963 7.797 1.00 0.00 H new ATOM 0 HA SER B 678 8.030 6.167 7.096 1.00 0.00 H new ATOM 0 HB2 SER B 678 8.715 6.032 9.548 1.00 0.00 H new ATOM 0 HB3 SER B 678 7.111 6.683 9.276 1.00 0.00 H new ATOM 0 HG SER B 678 7.159 3.911 9.546 1.00 0.00 H new ATOM 1973 N VAL B 679 10.104 4.750 7.622 1.00 0.00 N ATOM 1974 CA VAL B 679 11.259 3.884 7.549 1.00 0.00 C ATOM 1975 C VAL B 679 11.235 2.854 8.677 1.00 0.00 C ATOM 1976 O VAL B 679 11.012 3.185 9.844 1.00 0.00 O ATOM 1977 CB VAL B 679 12.563 4.716 7.560 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.538 5.768 8.658 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.787 3.827 7.693 1.00 0.00 C ATOM 0 H VAL B 679 10.331 5.740 7.711 1.00 0.00 H new ATOM 0 HA VAL B 679 11.226 3.336 6.607 1.00 0.00 H new ATOM 0 HB VAL B 679 12.627 5.231 6.602 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.468 6.336 8.639 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.698 6.443 8.496 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.430 5.280 9.627 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.686 4.444 7.697 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.728 3.264 8.625 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.826 3.134 6.853 1.00 0.00 H new ATOM 1989 N GLY B 680 11.447 1.601 8.308 1.00 0.00 N ATOM 1990 CA GLY B 680 11.287 0.506 9.238 1.00 0.00 C ATOM 1991 C GLY B 680 10.082 -0.352 8.908 1.00 0.00 C ATOM 1992 O GLY B 680 10.012 -1.510 9.314 1.00 0.00 O ATOM 0 H GLY B 680 11.730 1.322 7.369 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.185 -0.112 9.228 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.184 0.901 10.248 1.00 0.00 H new ATOM 1996 N ASP B 681 9.131 0.209 8.163 1.00 0.00 N ATOM 1997 CA ASP B 681 7.907 -0.520 7.834 1.00 0.00 C ATOM 1998 C ASP B 681 8.081 -1.373 6.580 1.00 0.00 C ATOM 1999 O ASP B 681 8.378 -0.862 5.505 1.00 0.00 O ATOM 2000 CB ASP B 681 6.721 0.437 7.641 1.00 0.00 C ATOM 2001 CG ASP B 681 6.260 1.085 8.934 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.612 0.393 9.747 1.00 0.00 O ATOM 2003 OD2 ASP B 681 6.527 2.291 9.143 1.00 0.00 O1- ATOM 0 H ASP B 681 9.182 1.153 7.780 1.00 0.00 H new ATOM 0 HA ASP B 681 7.698 -1.178 8.678 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.002 1.216 6.932 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.888 -0.111 7.199 1.00 0.00 H new ATOM 2008 N VAL B 682 7.897 -2.677 6.712 1.00 0.00 N ATOM 2009 CA VAL B 682 7.938 -3.552 5.550 1.00 0.00 C ATOM 2010 C VAL B 682 6.687 -3.370 4.704 1.00 0.00 C ATOM 2011 O VAL B 682 5.581 -3.622 5.160 1.00 0.00 O ATOM 2012 CB VAL B 682 8.149 -5.046 5.914 1.00 0.00 C ATOM 2013 CG1 VAL B 682 7.375 -5.452 7.129 1.00 0.00 C ATOM 2014 CG2 VAL B 682 7.813 -5.947 4.746 1.00 0.00 C ATOM 0 H VAL B 682 7.720 -3.149 7.599 1.00 0.00 H new ATOM 0 HA VAL B 682 8.811 -3.257 4.968 1.00 0.00 H new ATOM 0 HB VAL B 682 9.207 -5.162 6.149 1.00 0.00 H new ATOM 0 HG11 VAL B 682 7.557 -6.506 7.341 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.693 -4.850 7.981 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.311 -5.296 6.951 1.00 0.00 H new ATOM 0 HG21 VAL B 682 7.971 -6.987 5.032 1.00 0.00 H new ATOM 0 HG22 VAL B 682 6.770 -5.802 4.463 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.456 -5.702 3.901 1.00 0.00 H new ATOM 2024 N CYS B 683 6.869 -2.897 3.479 1.00 0.00 N ATOM 2025 CA CYS B 683 5.753 -2.687 2.573 1.00 0.00 C ATOM 2026 C CYS B 683 5.266 -4.007 2.017 1.00 0.00 C ATOM 2027 O CYS B 683 6.051 -4.925 1.765 1.00 0.00 O ATOM 2028 CB CYS B 683 6.142 -1.768 1.412 1.00 0.00 C ATOM 2029 SG CYS B 683 4.849 -1.544 0.166 1.00 0.00 S ATOM 0 H CYS B 683 7.780 -2.652 3.091 1.00 0.00 H new ATOM 0 HA CYS B 683 4.956 -2.212 3.145 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.415 -0.792 1.814 1.00 0.00 H new ATOM 0 HB3 CYS B 683 7.030 -2.173 0.927 1.00 0.00 H new ATOM 0 HG CYS B 683 4.452 -0.306 0.170 1.00 0.00 H new ATOM 2035 N ILE B 684 3.967 -4.090 1.847 1.00 0.00 N ATOM 2036 CA ILE B 684 3.350 -5.223 1.204 1.00 0.00 C ATOM 2037 C ILE B 684 3.347 -5.017 -0.305 1.00 0.00 C ATOM 2038 O ILE B 684 2.620 -4.164 -0.814 1.00 0.00 O ATOM 2039 CB ILE B 684 1.894 -5.408 1.680 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.860 -5.863 3.134 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.152 -6.396 0.788 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.466 -5.923 3.717 1.00 0.00 C ATOM 0 H ILE B 684 3.309 -3.372 2.151 1.00 0.00 H new ATOM 0 HA ILE B 684 3.924 -6.112 1.466 1.00 0.00 H new ATOM 0 HB ILE B 684 1.388 -4.445 1.610 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.319 -6.849 3.208 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.466 -5.184 3.733 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.128 -6.509 1.144 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.141 -6.024 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.656 -7.362 0.818 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.519 -6.254 4.754 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.011 -4.933 3.675 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.139 -6.625 3.143 1.00 0.00 H new ATOM 2054 N SER B 685 4.171 -5.756 -1.019 1.00 0.00 N ATOM 2055 CA SER B 685 4.111 -5.719 -2.466 1.00 0.00 C ATOM 2056 C SER B 685 3.201 -6.838 -2.939 1.00 0.00 C ATOM 2057 O SER B 685 3.463 -8.013 -2.690 1.00 0.00 O ATOM 2058 CB SER B 685 5.504 -5.861 -3.080 1.00 0.00 C ATOM 2059 OG SER B 685 5.516 -5.452 -4.436 1.00 0.00 O ATOM 0 H SER B 685 4.879 -6.379 -0.630 1.00 0.00 H new ATOM 0 HA SER B 685 3.714 -4.756 -2.787 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.216 -5.263 -2.512 1.00 0.00 H new ATOM 0 HB3 SER B 685 5.831 -6.898 -3.009 1.00 0.00 H new ATOM 0 HG SER B 685 6.420 -5.553 -4.800 1.00 0.00 H new ATOM 2065 N LEU B 686 2.127 -6.473 -3.600 1.00 0.00 N ATOM 2066 CA LEU B 686 1.163 -7.443 -4.055 1.00 0.00 C ATOM 2067 C LEU B 686 1.320 -7.650 -5.549 1.00 0.00 C ATOM 2068 O LEU B 686 1.212 -6.704 -6.324 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.248 -6.949 -3.737 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.211 -7.990 -3.166 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.455 -9.117 -4.151 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.687 -8.542 -1.853 1.00 0.00 C ATOM 0 H LEU B 686 1.900 -5.507 -3.835 1.00 0.00 H new ATOM 0 HA LEU B 686 1.329 -8.392 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.172 -6.126 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.683 -6.543 -4.650 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.163 -7.492 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.144 -9.840 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.886 -8.713 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.510 -9.610 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.387 -9.281 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.283 -9.012 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.580 -7.730 -1.134 1.00 0.00 H new ATOM 2084 N THR B 687 1.579 -8.875 -5.950 1.00 0.00 N ATOM 2085 CA THR B 687 1.697 -9.181 -7.358 1.00 0.00 C ATOM 2086 C THR B 687 0.388 -9.769 -7.861 1.00 0.00 C ATOM 2087 O THR B 687 -0.191 -10.668 -7.240 1.00 0.00 O ATOM 2088 CB THR B 687 2.872 -10.145 -7.647 1.00 0.00 C ATOM 2089 OG1 THR B 687 2.964 -10.417 -9.050 1.00 0.00 O ATOM 2090 CG2 THR B 687 2.713 -11.450 -6.886 1.00 0.00 C ATOM 0 H THR B 687 1.711 -9.671 -5.326 1.00 0.00 H new ATOM 0 HA THR B 687 1.910 -8.253 -7.889 1.00 0.00 H new ATOM 0 HB THR B 687 3.788 -9.657 -7.313 1.00 0.00 H new ATOM 0 HG1 THR B 687 3.713 -11.027 -9.217 1.00 0.00 H new ATOM 0 HG21 THR B 687 3.554 -12.106 -7.110 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.687 -11.246 -5.816 1.00 0.00 H new ATOM 0 HG23 THR B 687 1.784 -11.935 -7.186 1.00 0.00 H new ATOM 2098 N LEU B 688 -0.097 -9.228 -8.963 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.355 -9.664 -9.526 1.00 0.00 C ATOM 2100 C LEU B 688 -1.067 -10.538 -10.736 1.00 0.00 C ATOM 2101 O LEU B 688 -0.810 -10.036 -11.831 1.00 0.00 O ATOM 2102 CB LEU B 688 -2.238 -8.467 -9.925 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.513 -7.418 -8.828 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -2.905 -8.074 -7.510 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -1.313 -6.508 -8.630 1.00 0.00 C ATOM 0 H LEU B 688 0.365 -8.484 -9.485 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.904 -10.233 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.768 -7.963 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -3.195 -8.852 -10.277 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.355 -6.813 -9.165 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -3.091 -7.304 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -3.809 -8.667 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -2.096 -8.722 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -1.534 -5.778 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -0.449 -7.104 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.093 -5.988 -9.562 1.00 0.00 H new ATOM 2117 N LYS B 689 -1.091 -11.843 -10.529 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.718 -12.786 -11.564 1.00 0.00 C ATOM 2119 C LYS B 689 -1.822 -12.927 -12.605 1.00 0.00 C ATOM 2120 O LYS B 689 -1.620 -12.486 -13.756 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.382 -14.128 -10.941 1.00 0.00 C ATOM 2122 CG LYS B 689 0.826 -14.053 -10.028 1.00 0.00 C ATOM 2123 CD LYS B 689 2.081 -13.606 -10.768 1.00 0.00 C ATOM 2124 CE LYS B 689 2.496 -14.601 -11.840 1.00 0.00 C ATOM 2125 NZ LYS B 689 3.803 -14.244 -12.452 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -2.903 -13.443 -12.260 1.00 0.00 O ATOM 0 H LYS B 689 -1.367 -12.274 -9.647 1.00 0.00 H new ATOM 0 HA LYS B 689 0.166 -12.407 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -1.241 -14.488 -10.375 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.193 -14.855 -11.731 1.00 0.00 H new ATOM 0 HG2 LYS B 689 0.621 -13.359 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.000 -15.030 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS B 689 1.904 -12.633 -11.226 1.00 0.00 H new ATOM 0 HD3 LYS B 689 2.896 -13.480 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.559 -15.598 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS B 689 1.731 -14.640 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.050 -14.947 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 3.736 -13.303 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.539 -14.232 -11.717 1.00 0.00 H new TER 2140 LYS B 689