USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 977 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 676 LYS NZ :NH3+ 143:sc= 1.27 (180deg=1.01) USER MOD Set 1.2: B 678 SER OG : rot 180:sc= -0.0239 USER MOD Set 2.1: B 662 CYS SG : rot 39:sc= -11.3! USER MOD Set 2.2: B 666 THR OG1 : rot 77:sc= 0.29 USER MOD Single : A 38 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-2.7!) USER MOD Single : A 39 SER OG : rot 76:sc= 1.27 USER MOD Single : B 574 TYR OH : rot 180:sc=-0.000552 USER MOD Single : B 576 MET CE :methyl -140:sc= 0 (180deg=-0.241) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 66:sc= 1.13 USER MOD Single : B 582 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : B 585 ASN : amide:sc= -1.02 K(o=-1,f=-12!) USER MOD Single : B 589 LYS NZ :NH3+ -132:sc= 1.22 (180deg=0.365) USER MOD Single : B 590 LYS NZ :NH3+ -175:sc= 1.12 (180deg=0.994) USER MOD Single : B 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 596 THR OG1 : rot -106:sc= -1.62! USER MOD Single : B 601 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 602 SER OG : rot 78:sc= -1.16! USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 180:sc= 0 USER MOD Single : B 614 SER OG : rot 53:sc= 0.00607 USER MOD Single : B 615 THR OG1 : rot 180:sc= -1.04 USER MOD Single : B 622 SER OG : rot 169:sc= 1.21 USER MOD Single : B 623 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : B 624 SER OG : rot 4:sc= 0.374 USER MOD Single : B 631 GLN : amide:sc= -2.12! C(o=-2.1!,f=-5.7!) USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 640 GLN : amide:sc= -3.41 K(o=-3.4,f=-5.6!) USER MOD Single : B 642 SER OG : rot 45:sc= 0.06 USER MOD Single : B 649 TYR OH : rot 120:sc= -0.272 USER MOD Single : B 656 GLN :FLIP amide:sc= -11.7! C(o=-16!,f=-12!) USER MOD Single : B 659 SER OG : rot 180:sc= -1.63! USER MOD Single : B 660 SER OG : rot -1:sc= 0.174 USER MOD Single : B 661 CYS SG : rot 90:sc= -0.664! USER MOD Single : B 667 SER OG : rot -88:sc= 1.28 USER MOD Single : B 668 GLN : amide:sc= -1.96! C(o=-2!,f=-6.9!) USER MOD Single : B 674 CYS SG : rot -56:sc= -9.11! USER MOD Single : B 675 SER OG : rot 77:sc= 0.659 USER MOD Single : B 683 CYS SG : rot 180:sc= -0.985 USER MOD Single : B 685 SER OG : rot 99:sc= 1.14 USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 165:sc= -1.98! (180deg=-3.34!) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -14.695 -3.674 -5.479 1.00 0.00 N ATOM 20 CA PHE A 35 -13.568 -3.934 -6.365 1.00 0.00 C ATOM 21 C PHE A 35 -12.687 -5.032 -5.796 1.00 0.00 C ATOM 22 O PHE A 35 -12.725 -5.295 -4.591 1.00 0.00 O ATOM 23 CB PHE A 35 -12.723 -2.672 -6.548 1.00 0.00 C ATOM 24 CG PHE A 35 -13.344 -1.643 -7.439 1.00 0.00 C ATOM 25 CD1 PHE A 35 -13.111 -1.662 -8.802 1.00 0.00 C ATOM 26 CD2 PHE A 35 -14.149 -0.651 -6.911 1.00 0.00 C ATOM 27 CE1 PHE A 35 -13.673 -0.707 -9.627 1.00 0.00 C ATOM 28 CE2 PHE A 35 -14.713 0.303 -7.730 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.475 0.279 -9.089 1.00 0.00 C ATOM 0 HA PHE A 35 -13.969 -4.247 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.539 -2.227 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.753 -2.954 -6.958 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.483 -2.432 -9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.337 -0.623 -5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.485 -0.732 -10.690 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.343 1.072 -7.307 1.00 0.00 H new ATOM 0 HZ PHE A 35 -14.915 1.029 -9.729 1.00 0.00 H new ATOM 39 N PRO A 36 -11.895 -5.693 -6.657 1.00 0.00 N ATOM 40 CA PRO A 36 -10.837 -6.597 -6.211 1.00 0.00 C ATOM 41 C PRO A 36 -9.885 -5.866 -5.277 1.00 0.00 C ATOM 42 O PRO A 36 -9.668 -4.661 -5.423 1.00 0.00 O ATOM 43 CB PRO A 36 -10.126 -6.995 -7.508 1.00 0.00 C ATOM 44 CG PRO A 36 -11.142 -6.787 -8.576 1.00 0.00 C ATOM 45 CD PRO A 36 -11.977 -5.622 -8.127 1.00 0.00 C ATOM 0 HA PRO A 36 -11.213 -7.459 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.241 -6.382 -7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.793 -8.032 -7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.665 -6.580 -9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.755 -7.678 -8.711 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.587 -4.678 -8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.006 -5.706 -8.477 1.00 0.00 H new ATOM 53 N TRP A 37 -9.325 -6.592 -4.318 1.00 0.00 N ATOM 54 CA TRP A 37 -8.590 -5.973 -3.228 1.00 0.00 C ATOM 55 C TRP A 37 -7.378 -5.160 -3.682 1.00 0.00 C ATOM 56 O TRP A 37 -6.850 -4.359 -2.907 1.00 0.00 O ATOM 57 CB TRP A 37 -8.207 -7.000 -2.158 1.00 0.00 C ATOM 58 CG TRP A 37 -7.646 -8.294 -2.667 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.325 -9.286 -3.311 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.303 -8.762 -2.520 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.484 -10.330 -3.594 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.239 -10.036 -3.115 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.148 -8.226 -1.951 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.068 -10.780 -3.151 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -3.985 -8.967 -1.987 1.00 0.00 C ATOM 66 CH2 TRP A 37 -3.953 -10.234 -2.584 1.00 0.00 C ATOM 0 H TRP A 37 -9.367 -7.610 -4.275 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.276 -5.252 -2.783 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.475 -6.546 -1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.091 -7.219 -1.559 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.375 -9.253 -3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.745 -11.187 -4.082 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.164 -7.249 -1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.040 -11.757 -3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.084 -8.564 -1.548 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.027 -10.790 -2.596 1.00 0.00 H new ATOM 77 N HIS A 38 -6.927 -5.335 -4.919 1.00 0.00 N ATOM 78 CA HIS A 38 -5.944 -4.417 -5.459 1.00 0.00 C ATOM 79 C HIS A 38 -6.623 -3.109 -5.867 1.00 0.00 C ATOM 80 O HIS A 38 -7.009 -2.922 -7.021 1.00 0.00 O ATOM 81 CB HIS A 38 -5.190 -5.032 -6.643 1.00 0.00 C ATOM 82 CG HIS A 38 -4.202 -4.103 -7.310 1.00 0.00 C ATOM 83 ND1 HIS A 38 -2.868 -4.028 -6.956 1.00 0.00 N ATOM 84 CD2 HIS A 38 -4.357 -3.232 -8.340 1.00 0.00 C ATOM 85 CE1 HIS A 38 -2.255 -3.155 -7.735 1.00 0.00 C ATOM 86 NE2 HIS A 38 -3.134 -2.660 -8.582 1.00 0.00 N ATOM 0 H HIS A 38 -7.219 -6.083 -5.548 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.209 -4.208 -4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.659 -5.919 -6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.915 -5.364 -7.386 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.275 -3.027 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.209 -2.891 -7.686 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.937 -1.964 -9.301 1.00 0.00 H new ATOM 95 N SER A 39 -6.799 -2.229 -4.901 1.00 0.00 N ATOM 96 CA SER A 39 -7.361 -0.911 -5.155 1.00 0.00 C ATOM 97 C SER A 39 -6.612 0.146 -4.343 1.00 0.00 C ATOM 98 O SER A 39 -6.745 1.347 -4.578 1.00 0.00 O ATOM 99 CB SER A 39 -8.852 -0.918 -4.796 1.00 0.00 C ATOM 100 OG SER A 39 -9.431 0.369 -4.935 1.00 0.00 O ATOM 0 H SER A 39 -6.560 -2.402 -3.925 1.00 0.00 H new ATOM 0 HA SER A 39 -7.253 -0.665 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.378 -1.625 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.978 -1.265 -3.770 1.00 0.00 H new ATOM 0 HG SER A 39 -9.572 0.563 -5.885 1.00 0.00 H new ATOM 106 N LEU A 40 -5.815 -0.330 -3.397 1.00 0.00 N ATOM 107 CA LEU A 40 -5.118 0.517 -2.429 1.00 0.00 C ATOM 108 C LEU A 40 -3.842 -0.183 -1.957 1.00 0.00 C ATOM 109 O LEU A 40 -3.108 0.336 -1.120 1.00 0.00 O ATOM 110 CB LEU A 40 -6.041 0.791 -1.239 1.00 0.00 C ATOM 111 CG LEU A 40 -7.180 -0.223 -1.076 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.334 -0.647 0.369 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.487 0.360 -1.600 1.00 0.00 C ATOM 0 H LEU A 40 -5.630 -1.326 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.847 1.463 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.445 0.800 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.470 1.787 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.929 -1.108 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.149 -1.366 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.408 -1.107 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.556 0.226 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.286 -0.371 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.732 1.263 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.378 0.605 -2.656 1.00 0.00 H new ATOM 125 N VAL A 41 -3.587 -1.373 -2.503 1.00 0.00 N ATOM 126 CA VAL A 41 -2.421 -2.146 -2.142 1.00 0.00 C ATOM 127 C VAL A 41 -1.251 -1.783 -3.057 1.00 0.00 C ATOM 128 O VAL A 41 -1.409 -1.665 -4.275 1.00 0.00 O ATOM 129 CB VAL A 41 -2.723 -3.667 -2.203 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.925 -4.163 -3.628 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.629 -4.451 -1.522 1.00 0.00 C ATOM 0 H VAL A 41 -4.184 -1.816 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.147 -1.906 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.661 -3.827 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.133 -5.233 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.764 -3.636 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.022 -3.976 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.858 -5.515 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.679 -4.259 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.559 -4.146 -0.478 1.00 0.00 H new ATOM 141 N PRO A 42 -0.076 -1.548 -2.474 1.00 0.00 N ATOM 142 CA PRO A 42 1.107 -1.145 -3.218 1.00 0.00 C ATOM 143 C PRO A 42 1.865 -2.323 -3.818 1.00 0.00 C ATOM 144 O PRO A 42 1.583 -3.490 -3.535 1.00 0.00 O ATOM 145 CB PRO A 42 1.952 -0.463 -2.146 1.00 0.00 C ATOM 146 CG PRO A 42 1.628 -1.206 -0.900 1.00 0.00 C ATOM 147 CD PRO A 42 0.191 -1.634 -1.029 1.00 0.00 C ATOM 0 HA PRO A 42 0.859 -0.516 -4.073 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.015 -0.521 -2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.703 0.594 -2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.282 -2.070 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.769 -0.575 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.041 -2.647 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.473 -0.982 -0.461 1.00 0.00 H new ATOM 155 N PHE A 43 2.806 -1.993 -4.679 1.00 0.00 N ATOM 156 CA PHE A 43 3.733 -2.960 -5.229 1.00 0.00 C ATOM 157 C PHE A 43 5.150 -2.452 -5.005 1.00 0.00 C ATOM 158 O PHE A 43 6.115 -3.197 -5.132 1.00 0.00 O ATOM 159 CB PHE A 43 3.451 -3.165 -6.724 1.00 0.00 C ATOM 160 CG PHE A 43 4.278 -4.243 -7.371 1.00 0.00 C ATOM 161 CD1 PHE A 43 3.959 -5.580 -7.195 1.00 0.00 C ATOM 162 CD2 PHE A 43 5.363 -3.918 -8.168 1.00 0.00 C ATOM 163 CE1 PHE A 43 4.708 -6.571 -7.800 1.00 0.00 C ATOM 164 CE2 PHE A 43 6.117 -4.905 -8.773 1.00 0.00 C ATOM 165 CZ PHE A 43 5.788 -6.232 -8.590 1.00 0.00 C ATOM 0 H PHE A 43 2.950 -1.042 -5.018 1.00 0.00 H new ATOM 0 HA PHE A 43 3.614 -3.923 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.396 -3.407 -6.852 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.628 -2.225 -7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.115 -5.851 -6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.623 -2.881 -8.318 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.449 -7.609 -7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.963 -4.638 -9.389 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.375 -7.005 -9.064 1.00 0.00 H new ATOM 300 N LEU B 571 -18.504 9.169 -2.530 1.00 0.00 N ATOM 301 CA LEU B 571 -17.187 9.248 -3.112 1.00 0.00 C ATOM 302 C LEU B 571 -17.005 8.119 -4.119 1.00 0.00 C ATOM 303 O LEU B 571 -17.783 7.164 -4.118 1.00 0.00 O ATOM 304 CB LEU B 571 -16.140 9.147 -2.004 1.00 0.00 C ATOM 305 CG LEU B 571 -16.124 10.302 -1.018 1.00 0.00 C ATOM 306 CD1 LEU B 571 -15.128 10.038 0.098 1.00 0.00 C ATOM 307 CD2 LEU B 571 -15.779 11.573 -1.747 1.00 0.00 C ATOM 0 HA LEU B 571 -17.067 10.200 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -16.307 8.222 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -15.155 9.070 -2.464 1.00 0.00 H new ATOM 0 HG LEU B 571 -17.111 10.404 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -15.131 10.877 0.794 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -15.407 9.126 0.627 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -14.130 9.921 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -15.767 12.405 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -14.796 11.473 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -16.524 11.763 -2.519 1.00 0.00 H new ATOM 319 N PRO B 572 -16.008 8.227 -5.017 1.00 0.00 N ATOM 320 CA PRO B 572 -15.676 7.151 -5.950 1.00 0.00 C ATOM 321 C PRO B 572 -15.516 5.812 -5.233 1.00 0.00 C ATOM 322 O PRO B 572 -14.954 5.747 -4.142 1.00 0.00 O ATOM 323 CB PRO B 572 -14.349 7.602 -6.558 1.00 0.00 C ATOM 324 CG PRO B 572 -14.380 9.086 -6.463 1.00 0.00 C ATOM 325 CD PRO B 572 -15.150 9.409 -5.211 1.00 0.00 C ATOM 0 HA PRO B 572 -16.457 6.989 -6.693 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.501 7.187 -6.013 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.254 7.273 -7.593 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.371 9.494 -6.416 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.860 9.522 -7.339 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.486 9.566 -4.361 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.740 10.318 -5.327 1.00 0.00 H new ATOM 333 N PRO B 573 -16.000 4.730 -5.852 1.00 0.00 N ATOM 334 CA PRO B 573 -16.052 3.403 -5.228 1.00 0.00 C ATOM 335 C PRO B 573 -14.695 2.709 -5.204 1.00 0.00 C ATOM 336 O PRO B 573 -14.556 1.599 -4.687 1.00 0.00 O ATOM 337 CB PRO B 573 -17.017 2.650 -6.132 1.00 0.00 C ATOM 338 CG PRO B 573 -16.798 3.255 -7.470 1.00 0.00 C ATOM 339 CD PRO B 573 -16.529 4.710 -7.225 1.00 0.00 C ATOM 0 HA PRO B 573 -16.356 3.451 -4.182 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.807 1.580 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -18.049 2.770 -5.803 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.958 2.783 -7.979 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.672 3.121 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.810 5.112 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.436 5.308 -7.315 1.00 0.00 H new ATOM 347 N TYR B 574 -13.711 3.357 -5.795 1.00 0.00 N ATOM 348 CA TYR B 574 -12.350 2.838 -5.825 1.00 0.00 C ATOM 349 C TYR B 574 -11.463 3.541 -4.794 1.00 0.00 C ATOM 350 O TYR B 574 -11.093 4.699 -4.978 1.00 0.00 O ATOM 351 CB TYR B 574 -11.780 3.016 -7.228 1.00 0.00 C ATOM 352 CG TYR B 574 -10.406 2.424 -7.463 1.00 0.00 C ATOM 353 CD1 TYR B 574 -9.257 3.174 -7.248 1.00 0.00 C ATOM 354 CD2 TYR B 574 -10.263 1.123 -7.930 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.005 2.646 -7.487 1.00 0.00 C ATOM 356 CE2 TYR B 574 -9.012 0.586 -8.169 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.887 1.352 -7.948 1.00 0.00 C ATOM 358 OH TYR B 574 -6.640 0.824 -8.190 1.00 0.00 O ATOM 0 H TYR B 574 -13.827 4.254 -6.267 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.372 1.779 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -12.474 2.570 -7.940 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.738 4.082 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -9.345 4.188 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -11.143 0.522 -8.109 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -7.122 3.243 -7.314 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -8.916 -0.428 -8.527 1.00 0.00 H new ATOM 0 HH TYR B 574 -6.731 -0.098 -8.509 1.00 0.00 H new ATOM 368 N PHE B 575 -11.190 2.835 -3.694 1.00 0.00 N ATOM 369 CA PHE B 575 -10.188 3.216 -2.678 1.00 0.00 C ATOM 370 C PHE B 575 -10.566 4.451 -1.843 1.00 0.00 C ATOM 371 O PHE B 575 -10.047 4.628 -0.741 1.00 0.00 O ATOM 372 CB PHE B 575 -8.786 3.354 -3.311 1.00 0.00 C ATOM 373 CG PHE B 575 -8.191 4.735 -3.322 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.418 5.597 -4.381 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.383 5.159 -2.280 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.858 6.856 -4.398 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.819 6.416 -2.293 1.00 0.00 C ATOM 378 CZ PHE B 575 -7.059 7.265 -3.353 1.00 0.00 C ATOM 0 H PHE B 575 -11.667 1.961 -3.474 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.167 2.396 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.104 2.692 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.839 2.996 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -9.041 5.279 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -7.193 4.497 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -8.045 7.520 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -6.190 6.736 -1.475 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.620 8.252 -3.364 1.00 0.00 H new ATOM 388 N MET B 576 -11.463 5.289 -2.344 1.00 0.00 N ATOM 389 CA MET B 576 -11.944 6.441 -1.578 1.00 0.00 C ATOM 390 C MET B 576 -12.715 5.966 -0.348 1.00 0.00 C ATOM 391 O MET B 576 -13.060 4.788 -0.236 1.00 0.00 O ATOM 392 CB MET B 576 -12.850 7.318 -2.445 1.00 0.00 C ATOM 393 CG MET B 576 -12.201 7.787 -3.736 1.00 0.00 C ATOM 394 SD MET B 576 -10.884 8.986 -3.473 1.00 0.00 S ATOM 395 CE MET B 576 -10.394 9.310 -5.167 1.00 0.00 C ATOM 0 H MET B 576 -11.874 5.197 -3.273 1.00 0.00 H new ATOM 0 HA MET B 576 -11.083 7.029 -1.259 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.755 6.761 -2.687 1.00 0.00 H new ATOM 0 HB3 MET B 576 -13.157 8.189 -1.867 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.798 6.924 -4.267 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.963 8.229 -4.378 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.308 9.391 -5.223 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.730 8.493 -5.806 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.845 10.243 -5.504 1.00 0.00 H new ATOM 405 N LYS B 577 -12.989 6.869 0.578 1.00 0.00 N ATOM 406 CA LYS B 577 -13.709 6.501 1.789 1.00 0.00 C ATOM 407 C LYS B 577 -15.123 6.037 1.455 1.00 0.00 C ATOM 408 O LYS B 577 -15.895 6.755 0.820 1.00 0.00 O ATOM 409 CB LYS B 577 -13.762 7.678 2.759 1.00 0.00 C ATOM 410 CG LYS B 577 -14.238 7.303 4.152 1.00 0.00 C ATOM 411 CD LYS B 577 -14.449 8.538 5.010 1.00 0.00 C ATOM 412 CE LYS B 577 -14.846 8.175 6.430 1.00 0.00 C ATOM 413 NZ LYS B 577 -15.090 9.383 7.261 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.728 7.853 0.518 1.00 0.00 H new ATOM 0 HA LYS B 577 -13.175 5.678 2.264 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.769 8.122 2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.424 8.442 2.352 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -15.170 6.742 4.082 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.506 6.648 4.625 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.533 9.129 5.028 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -15.223 9.163 4.564 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.746 7.560 6.410 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -14.059 7.574 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -15.359 9.094 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -14.224 9.957 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -15.858 9.944 6.841 1.00 0.00 H new ATOM 427 N GLY B 578 -15.442 4.823 1.875 1.00 0.00 N ATOM 428 CA GLY B 578 -16.749 4.251 1.611 1.00 0.00 C ATOM 429 C GLY B 578 -16.692 3.217 0.517 1.00 0.00 C ATOM 430 O GLY B 578 -17.682 2.545 0.231 1.00 0.00 O ATOM 0 H GLY B 578 -14.812 4.216 2.400 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -17.138 3.796 2.522 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.443 5.043 1.328 1.00 0.00 H new ATOM 434 N SER B 579 -15.529 3.094 -0.103 1.00 0.00 N ATOM 435 CA SER B 579 -15.303 2.045 -1.070 1.00 0.00 C ATOM 436 C SER B 579 -15.263 0.702 -0.365 1.00 0.00 C ATOM 437 O SER B 579 -14.638 0.560 0.692 1.00 0.00 O ATOM 438 CB SER B 579 -13.997 2.283 -1.818 1.00 0.00 C ATOM 439 OG SER B 579 -13.972 3.576 -2.386 1.00 0.00 O ATOM 0 H SER B 579 -14.731 3.710 0.050 1.00 0.00 H new ATOM 0 HA SER B 579 -16.119 2.048 -1.792 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.155 2.164 -1.136 1.00 0.00 H new ATOM 0 HB3 SER B 579 -13.880 1.534 -2.602 1.00 0.00 H new ATOM 0 HG SER B 579 -13.963 4.247 -1.672 1.00 0.00 H new ATOM 445 N ILE B 580 -15.953 -0.271 -0.919 1.00 0.00 N ATOM 446 CA ILE B 580 -15.958 -1.595 -0.351 1.00 0.00 C ATOM 447 C ILE B 580 -14.995 -2.485 -1.110 1.00 0.00 C ATOM 448 O ILE B 580 -15.139 -2.703 -2.315 1.00 0.00 O ATOM 449 CB ILE B 580 -17.370 -2.199 -0.346 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.315 -1.307 0.469 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.347 -3.613 0.205 1.00 0.00 C ATOM 452 CD1 ILE B 580 -17.786 -0.931 1.846 1.00 0.00 C ATOM 0 H ILE B 580 -16.517 -0.167 -1.762 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.632 -1.523 0.687 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.736 -2.249 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.511 -0.395 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.269 -1.820 0.587 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.357 -4.022 0.200 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.701 -4.234 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -16.967 -3.599 1.226 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.514 -0.300 2.356 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -17.617 -1.835 2.430 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -16.847 -0.388 1.739 1.00 0.00 H new ATOM 464 N ILE B 581 -14.001 -2.969 -0.398 1.00 0.00 N ATOM 465 CA ILE B 581 -12.925 -3.731 -0.999 1.00 0.00 C ATOM 466 C ILE B 581 -13.154 -5.224 -0.788 1.00 0.00 C ATOM 467 O ILE B 581 -13.452 -5.658 0.327 1.00 0.00 O ATOM 468 CB ILE B 581 -11.568 -3.319 -0.393 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.442 -1.794 -0.318 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.423 -3.895 -1.199 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.604 -1.083 -1.644 1.00 0.00 C ATOM 0 H ILE B 581 -13.915 -2.847 0.611 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.911 -3.521 -2.068 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.520 -3.721 0.619 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.191 -1.414 0.377 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.466 -1.543 0.097 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.476 -3.592 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.491 -4.983 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.477 -3.526 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.500 -0.008 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.839 -1.429 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.591 -1.299 -2.054 1.00 0.00 H new ATOM 483 N GLN B 582 -13.032 -6.000 -1.858 1.00 0.00 N ATOM 484 CA GLN B 582 -13.253 -7.435 -1.783 1.00 0.00 C ATOM 485 C GLN B 582 -11.940 -8.187 -1.761 1.00 0.00 C ATOM 486 O GLN B 582 -11.180 -8.164 -2.727 1.00 0.00 O ATOM 487 CB GLN B 582 -14.091 -7.912 -2.961 1.00 0.00 C ATOM 488 CG GLN B 582 -14.426 -9.395 -2.912 1.00 0.00 C ATOM 489 CD GLN B 582 -15.358 -9.811 -4.030 1.00 0.00 C ATOM 490 OE1 GLN B 582 -16.176 -9.019 -4.502 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.246 -11.052 -4.461 1.00 0.00 N ATOM 0 H GLN B 582 -12.781 -5.658 -2.786 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.789 -7.637 -0.856 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.018 -7.340 -2.991 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.555 -7.700 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.505 -9.975 -2.975 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.886 -9.630 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -14.556 -11.676 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -15.849 -11.388 -5.212 1.00 0.00 H new ATOM 500 N LEU B 583 -11.698 -8.870 -0.663 1.00 0.00 N ATOM 501 CA LEU B 583 -10.464 -9.602 -0.477 1.00 0.00 C ATOM 502 C LEU B 583 -10.512 -10.952 -1.178 1.00 0.00 C ATOM 503 O LEU B 583 -11.567 -11.355 -1.673 1.00 0.00 O ATOM 504 CB LEU B 583 -10.208 -9.770 1.009 1.00 0.00 C ATOM 505 CG LEU B 583 -10.138 -8.458 1.782 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.957 -8.731 3.260 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.016 -7.578 1.238 1.00 0.00 C ATOM 0 H LEU B 583 -12.347 -8.934 0.122 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.645 -9.039 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.998 -10.388 1.435 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.271 -10.310 1.146 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.076 -7.919 1.651 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.908 -7.786 3.801 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.799 -9.317 3.628 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.033 -9.287 3.417 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -8.980 -6.645 1.801 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.064 -8.099 1.338 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.202 -7.360 0.186 1.00 0.00 H new ATOM 519 N ALA B 584 -9.387 -11.654 -1.222 1.00 0.00 N ATOM 520 CA ALA B 584 -9.321 -12.911 -1.959 1.00 0.00 C ATOM 521 C ALA B 584 -10.258 -13.948 -1.359 1.00 0.00 C ATOM 522 O ALA B 584 -10.913 -14.703 -2.079 1.00 0.00 O ATOM 523 CB ALA B 584 -7.903 -13.451 -1.993 1.00 0.00 C ATOM 0 H ALA B 584 -8.518 -11.380 -0.763 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.639 -12.706 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -7.884 -14.388 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.250 -12.727 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.556 -13.626 -0.975 1.00 0.00 H new ATOM 529 N ASN B 585 -10.339 -13.951 -0.032 1.00 0.00 N ATOM 530 CA ASN B 585 -11.189 -14.892 0.685 1.00 0.00 C ATOM 531 C ASN B 585 -12.667 -14.591 0.418 1.00 0.00 C ATOM 532 O ASN B 585 -13.539 -15.426 0.666 1.00 0.00 O ATOM 533 CB ASN B 585 -10.886 -14.847 2.186 1.00 0.00 C ATOM 534 CG ASN B 585 -11.248 -13.528 2.834 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.288 -12.486 2.182 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.495 -13.566 4.129 1.00 0.00 N ATOM 0 H ASN B 585 -9.823 -13.309 0.570 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.977 -15.898 0.323 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.431 -15.649 2.683 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.824 -15.040 2.341 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.730 -12.709 4.629 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.451 -14.453 4.631 1.00 0.00 H new ATOM 543 N GLY B 586 -12.942 -13.389 -0.089 1.00 0.00 N ATOM 544 CA GLY B 586 -14.277 -13.056 -0.533 1.00 0.00 C ATOM 545 C GLY B 586 -15.019 -12.142 0.416 1.00 0.00 C ATOM 546 O GLY B 586 -16.198 -11.860 0.203 1.00 0.00 O ATOM 0 H GLY B 586 -12.257 -12.641 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.217 -12.579 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.849 -13.975 -0.661 1.00 0.00 H new ATOM 550 N GLU B 587 -14.349 -11.664 1.455 1.00 0.00 N ATOM 551 CA GLU B 587 -15.008 -10.792 2.413 1.00 0.00 C ATOM 552 C GLU B 587 -14.925 -9.345 1.951 1.00 0.00 C ATOM 553 O GLU B 587 -14.011 -8.964 1.213 1.00 0.00 O ATOM 554 CB GLU B 587 -14.413 -10.952 3.814 1.00 0.00 C ATOM 555 CG GLU B 587 -13.019 -10.388 3.965 1.00 0.00 C ATOM 556 CD GLU B 587 -12.511 -10.489 5.388 1.00 0.00 C ATOM 557 OE1 GLU B 587 -12.899 -9.647 6.218 1.00 0.00 O ATOM 558 OE2 GLU B 587 -11.725 -11.412 5.685 1.00 0.00 O1- ATOM 0 H GLU B 587 -13.368 -11.861 1.653 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.058 -11.081 2.469 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -15.070 -10.463 4.533 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.393 -12.012 4.069 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.339 -10.921 3.300 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -13.016 -9.343 3.653 1.00 0.00 H new ATOM 565 N LEU B 588 -15.892 -8.554 2.375 1.00 0.00 N ATOM 566 CA LEU B 588 -16.006 -7.176 1.940 1.00 0.00 C ATOM 567 C LEU B 588 -15.823 -6.235 3.117 1.00 0.00 C ATOM 568 O LEU B 588 -16.518 -6.352 4.128 1.00 0.00 O ATOM 569 CB LEU B 588 -17.376 -6.950 1.306 1.00 0.00 C ATOM 570 CG LEU B 588 -17.734 -7.914 0.176 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.145 -7.652 -0.314 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.745 -7.783 -0.968 1.00 0.00 C ATOM 0 H LEU B 588 -16.618 -8.848 3.028 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.228 -6.972 1.204 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.136 -7.028 2.083 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.417 -5.931 0.920 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.683 -8.932 0.562 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.385 -8.347 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.847 -7.792 0.508 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.218 -6.629 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.015 -8.477 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -16.767 -6.763 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.742 -8.015 -0.610 1.00 0.00 H new ATOM 584 N LYS B 589 -14.891 -5.306 2.994 1.00 0.00 N ATOM 585 CA LYS B 589 -14.604 -4.378 4.073 1.00 0.00 C ATOM 586 C LYS B 589 -14.451 -2.961 3.562 1.00 0.00 C ATOM 587 O LYS B 589 -14.119 -2.728 2.398 1.00 0.00 O ATOM 588 CB LYS B 589 -13.322 -4.779 4.793 1.00 0.00 C ATOM 589 CG LYS B 589 -13.391 -6.107 5.529 1.00 0.00 C ATOM 590 CD LYS B 589 -12.027 -6.517 6.068 1.00 0.00 C ATOM 591 CE LYS B 589 -11.466 -5.480 7.024 1.00 0.00 C ATOM 592 NZ LYS B 589 -12.192 -5.457 8.320 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.321 -5.175 2.159 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.448 -4.416 4.762 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.513 -4.825 4.065 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.064 -3.997 5.507 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.101 -6.032 6.352 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.764 -6.879 4.856 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.111 -7.476 6.580 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.335 -6.658 5.238 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -10.411 -5.688 7.204 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.522 -4.495 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -12.430 -4.475 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -13.066 -6.015 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.589 -5.865 9.063 1.00 0.00 H new ATOM 606 N LYS B 590 -14.703 -2.024 4.456 1.00 0.00 N ATOM 607 CA LYS B 590 -14.469 -0.621 4.202 1.00 0.00 C ATOM 608 C LYS B 590 -12.973 -0.338 4.131 1.00 0.00 C ATOM 609 O LYS B 590 -12.216 -0.844 4.961 1.00 0.00 O ATOM 610 CB LYS B 590 -15.113 0.198 5.316 1.00 0.00 C ATOM 611 CG LYS B 590 -16.538 0.641 5.017 1.00 0.00 C ATOM 612 CD LYS B 590 -16.562 1.781 4.010 1.00 0.00 C ATOM 613 CE LYS B 590 -15.729 2.953 4.492 1.00 0.00 C ATOM 614 NZ LYS B 590 -16.211 3.501 5.789 1.00 0.00 N1+ ATOM 0 H LYS B 590 -15.078 -2.219 5.384 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.911 -0.344 3.245 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -15.112 -0.391 6.233 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.501 1.080 5.504 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -17.109 -0.202 4.629 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -17.024 0.958 5.940 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.182 1.431 3.050 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -17.590 2.104 3.847 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -14.691 2.637 4.598 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -15.747 3.741 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -15.663 4.351 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -17.218 3.750 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -16.090 2.786 6.534 1.00 0.00 H new ATOM 628 N VAL B 591 -12.560 0.463 3.148 1.00 0.00 N ATOM 629 CA VAL B 591 -11.134 0.689 2.857 1.00 0.00 C ATOM 630 C VAL B 591 -10.319 0.948 4.119 1.00 0.00 C ATOM 631 O VAL B 591 -9.268 0.345 4.336 1.00 0.00 O ATOM 632 CB VAL B 591 -10.920 1.915 1.951 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.521 1.899 1.371 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.954 1.999 0.855 1.00 0.00 C ATOM 0 H VAL B 591 -13.195 0.972 2.533 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.803 -0.226 2.365 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.038 2.806 2.568 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.382 2.771 0.732 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.791 1.922 2.180 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.381 0.992 0.783 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.763 2.879 0.241 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.899 1.105 0.234 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.948 2.074 1.297 1.00 0.00 H new ATOM 644 N GLU B 592 -10.838 1.836 4.946 1.00 0.00 N ATOM 645 CA GLU B 592 -10.109 2.365 6.089 1.00 0.00 C ATOM 646 C GLU B 592 -9.914 1.327 7.191 1.00 0.00 C ATOM 647 O GLU B 592 -9.032 1.469 8.037 1.00 0.00 O ATOM 648 CB GLU B 592 -10.867 3.570 6.639 1.00 0.00 C ATOM 649 CG GLU B 592 -12.306 3.257 7.019 1.00 0.00 C ATOM 650 CD GLU B 592 -13.092 4.491 7.399 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.750 5.126 8.413 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -14.056 4.828 6.681 1.00 0.00 O ATOM 0 H GLU B 592 -11.780 2.214 4.846 1.00 0.00 H new ATOM 0 HA GLU B 592 -9.115 2.655 5.750 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.342 3.951 7.515 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.861 4.365 5.893 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.798 2.761 6.182 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.313 2.556 7.854 1.00 0.00 H new ATOM 659 N ASP B 593 -10.724 0.283 7.177 1.00 0.00 N ATOM 660 CA ASP B 593 -10.718 -0.691 8.262 1.00 0.00 C ATOM 661 C ASP B 593 -10.000 -1.968 7.844 1.00 0.00 C ATOM 662 O ASP B 593 -9.820 -2.888 8.643 1.00 0.00 O ATOM 663 CB ASP B 593 -12.161 -0.985 8.698 1.00 0.00 C ATOM 664 CG ASP B 593 -12.261 -1.985 9.833 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.994 -1.614 10.996 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.639 -3.145 9.574 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.392 0.086 6.432 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.173 -0.274 9.109 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.636 -0.053 9.003 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.720 -1.363 7.842 1.00 0.00 H new ATOM 671 N LEU B 594 -9.587 -2.015 6.588 1.00 0.00 N ATOM 672 CA LEU B 594 -8.786 -3.112 6.088 1.00 0.00 C ATOM 673 C LEU B 594 -7.497 -3.227 6.878 1.00 0.00 C ATOM 674 O LEU B 594 -6.763 -2.250 7.039 1.00 0.00 O ATOM 675 CB LEU B 594 -8.464 -2.894 4.618 1.00 0.00 C ATOM 676 CG LEU B 594 -9.662 -2.964 3.682 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.317 -2.350 2.350 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.093 -4.400 3.489 1.00 0.00 C ATOM 0 H LEU B 594 -9.797 -1.298 5.894 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.355 -4.035 6.200 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.990 -1.919 4.506 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.734 -3.641 4.306 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.485 -2.405 4.128 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.182 -2.406 1.689 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.036 -1.307 2.492 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.484 -2.893 1.904 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -10.951 -4.435 2.817 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.271 -4.972 3.058 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.368 -4.830 4.452 1.00 0.00 H new ATOM 690 N LYS B 595 -7.241 -4.409 7.390 1.00 0.00 N ATOM 691 CA LYS B 595 -6.018 -4.659 8.117 1.00 0.00 C ATOM 692 C LYS B 595 -5.032 -5.370 7.217 1.00 0.00 C ATOM 693 O LYS B 595 -5.425 -6.045 6.265 1.00 0.00 O ATOM 694 CB LYS B 595 -6.290 -5.479 9.379 1.00 0.00 C ATOM 695 CG LYS B 595 -7.223 -4.780 10.355 1.00 0.00 C ATOM 696 CD LYS B 595 -6.690 -3.411 10.743 1.00 0.00 C ATOM 697 CE LYS B 595 -7.671 -2.650 11.612 1.00 0.00 C ATOM 698 NZ LYS B 595 -7.182 -1.280 11.916 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.864 -5.213 7.316 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.592 -3.706 8.430 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.723 -6.438 9.095 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.344 -5.691 9.878 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.210 -4.674 9.905 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.343 -5.392 11.249 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.746 -3.526 11.276 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.479 -2.834 9.842 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -8.635 -2.589 11.107 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.832 -3.194 12.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -7.877 -0.788 12.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -6.274 -1.339 12.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -7.052 -0.753 11.029 1.00 0.00 H new ATOM 712 N THR B 596 -3.757 -5.212 7.506 1.00 0.00 N ATOM 713 CA THR B 596 -2.717 -5.806 6.690 1.00 0.00 C ATOM 714 C THR B 596 -2.840 -7.327 6.677 1.00 0.00 C ATOM 715 O THR B 596 -2.558 -7.976 5.669 1.00 0.00 O ATOM 716 CB THR B 596 -1.322 -5.378 7.176 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.336 -5.877 6.285 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.043 -5.879 8.586 1.00 0.00 C ATOM 0 H THR B 596 -3.414 -4.675 8.303 1.00 0.00 H new ATOM 0 HA THR B 596 -2.845 -5.444 5.670 1.00 0.00 H new ATOM 0 HB THR B 596 -1.289 -4.289 7.196 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.133 -6.629 6.704 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.049 -5.558 8.896 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.786 -5.471 9.271 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.094 -6.968 8.602 1.00 0.00 H new ATOM 726 N GLU B 597 -3.316 -7.878 7.787 1.00 0.00 N ATOM 727 CA GLU B 597 -3.514 -9.313 7.913 1.00 0.00 C ATOM 728 C GLU B 597 -4.534 -9.806 6.899 1.00 0.00 C ATOM 729 O GLU B 597 -4.467 -10.943 6.436 1.00 0.00 O ATOM 730 CB GLU B 597 -3.980 -9.654 9.320 1.00 0.00 C ATOM 731 CG GLU B 597 -3.022 -9.197 10.404 1.00 0.00 C ATOM 732 CD GLU B 597 -3.508 -9.566 11.785 1.00 0.00 C ATOM 733 OE1 GLU B 597 -3.320 -10.733 12.189 1.00 0.00 O ATOM 734 OE2 GLU B 597 -4.085 -8.695 12.471 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.573 -7.346 8.618 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.563 -9.809 7.719 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -4.955 -9.197 9.492 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.116 -10.733 9.398 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.043 -9.644 10.234 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.894 -8.116 10.342 1.00 0.00 H new ATOM 741 N ASP B 598 -5.464 -8.931 6.547 1.00 0.00 N ATOM 742 CA ASP B 598 -6.513 -9.263 5.597 1.00 0.00 C ATOM 743 C ASP B 598 -5.917 -9.473 4.212 1.00 0.00 C ATOM 744 O ASP B 598 -6.266 -10.424 3.509 1.00 0.00 O ATOM 745 CB ASP B 598 -7.577 -8.162 5.558 1.00 0.00 C ATOM 746 CG ASP B 598 -8.327 -8.017 6.868 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.751 -9.048 7.437 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.510 -6.870 7.329 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.513 -7.979 6.909 1.00 0.00 H new ATOM 0 HA ASP B 598 -6.991 -10.188 5.919 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.101 -7.213 5.311 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.288 -8.379 4.761 1.00 0.00 H new ATOM 753 N PHE B 599 -5.003 -8.589 3.826 1.00 0.00 N ATOM 754 CA PHE B 599 -4.320 -8.715 2.545 1.00 0.00 C ATOM 755 C PHE B 599 -3.325 -9.857 2.584 1.00 0.00 C ATOM 756 O PHE B 599 -3.178 -10.588 1.602 1.00 0.00 O ATOM 757 CB PHE B 599 -3.630 -7.411 2.138 1.00 0.00 C ATOM 758 CG PHE B 599 -4.601 -6.366 1.662 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.622 -5.918 2.482 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.502 -5.849 0.382 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.526 -4.976 2.034 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.403 -4.904 -0.070 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.417 -4.468 0.757 1.00 0.00 C ATOM 0 H PHE B 599 -4.719 -7.781 4.380 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.075 -8.933 1.790 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.070 -7.021 2.987 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.908 -7.618 1.348 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.712 -6.310 3.484 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.711 -6.188 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.319 -4.637 2.684 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.313 -4.507 -1.070 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.124 -3.731 0.405 1.00 0.00 H new ATOM 773 N ILE B 600 -2.642 -10.009 3.720 1.00 0.00 N ATOM 774 CA ILE B 600 -1.758 -11.141 3.927 1.00 0.00 C ATOM 775 C ILE B 600 -2.487 -12.442 3.639 1.00 0.00 C ATOM 776 O ILE B 600 -2.090 -13.198 2.755 1.00 0.00 O ATOM 777 CB ILE B 600 -1.225 -11.164 5.370 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.256 -10.007 5.589 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.562 -12.494 5.685 1.00 0.00 C ATOM 780 CD1 ILE B 600 0.240 -9.899 7.010 1.00 0.00 C ATOM 0 H ILE B 600 -2.689 -9.360 4.505 1.00 0.00 H new ATOM 0 HA ILE B 600 -0.917 -11.038 3.241 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.067 -11.046 6.052 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.598 -10.127 4.922 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.747 -9.074 5.312 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.194 -12.483 6.711 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.288 -13.299 5.568 1.00 0.00 H new ATOM 0 HG23 ILE B 600 0.272 -12.655 5.002 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.925 -9.055 7.093 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.606 -9.747 7.680 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.760 -10.817 7.285 1.00 0.00 H new ATOM 792 N GLN B 601 -3.581 -12.669 4.354 1.00 0.00 N ATOM 793 CA GLN B 601 -4.375 -13.869 4.169 1.00 0.00 C ATOM 794 C GLN B 601 -4.838 -13.996 2.733 1.00 0.00 C ATOM 795 O GLN B 601 -4.703 -15.052 2.135 1.00 0.00 O ATOM 796 CB GLN B 601 -5.581 -13.871 5.103 1.00 0.00 C ATOM 797 CG GLN B 601 -5.211 -14.073 6.556 1.00 0.00 C ATOM 798 CD GLN B 601 -6.420 -14.063 7.467 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.510 -14.477 7.076 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.243 -13.589 8.688 1.00 0.00 N ATOM 0 H GLN B 601 -3.937 -12.034 5.069 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.743 -14.724 4.409 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.114 -12.926 4.999 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.268 -14.660 4.797 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.685 -15.021 6.666 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.521 -13.288 6.865 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -5.324 -13.254 8.977 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.026 -13.558 9.341 1.00 0.00 H new ATOM 809 N SER B 602 -5.356 -12.913 2.173 1.00 0.00 N ATOM 810 CA SER B 602 -5.861 -12.934 0.808 1.00 0.00 C ATOM 811 C SER B 602 -4.814 -13.466 -0.170 1.00 0.00 C ATOM 812 O SER B 602 -5.123 -14.266 -1.054 1.00 0.00 O ATOM 813 CB SER B 602 -6.317 -11.539 0.386 1.00 0.00 C ATOM 814 OG SER B 602 -7.416 -11.111 1.167 1.00 0.00 O ATOM 0 H SER B 602 -5.438 -12.011 2.641 1.00 0.00 H new ATOM 0 HA SER B 602 -6.716 -13.610 0.783 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.493 -10.834 0.494 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.595 -11.546 -0.668 1.00 0.00 H new ATOM 0 HG SER B 602 -7.097 -10.807 2.042 1.00 0.00 H new ATOM 820 N ALA B 603 -3.575 -13.043 0.006 1.00 0.00 N ATOM 821 CA ALA B 603 -2.503 -13.474 -0.870 1.00 0.00 C ATOM 822 C ALA B 603 -2.061 -14.898 -0.541 1.00 0.00 C ATOM 823 O ALA B 603 -1.712 -15.669 -1.429 1.00 0.00 O ATOM 824 CB ALA B 603 -1.337 -12.513 -0.769 1.00 0.00 C ATOM 0 H ALA B 603 -3.288 -12.403 0.746 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.873 -13.473 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.535 -12.843 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.662 -11.515 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -0.974 -12.489 0.258 1.00 0.00 H new ATOM 830 N GLU B 604 -2.108 -15.249 0.739 1.00 0.00 N ATOM 831 CA GLU B 604 -1.646 -16.559 1.195 1.00 0.00 C ATOM 832 C GLU B 604 -2.619 -17.660 0.782 1.00 0.00 C ATOM 833 O GLU B 604 -2.210 -18.754 0.389 1.00 0.00 O ATOM 834 CB GLU B 604 -1.459 -16.572 2.712 1.00 0.00 C ATOM 835 CG GLU B 604 -0.383 -15.619 3.195 1.00 0.00 C ATOM 836 CD GLU B 604 0.065 -15.907 4.614 1.00 0.00 C ATOM 837 OE1 GLU B 604 -0.755 -15.782 5.547 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.247 -16.267 4.807 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.461 -14.646 1.482 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.684 -16.751 0.720 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.404 -16.313 3.189 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.208 -17.584 3.031 1.00 0.00 H new ATOM 0 HG2 GLU B 604 0.477 -15.681 2.528 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.757 -14.597 3.138 1.00 0.00 H new ATOM 845 N ILE B 605 -3.906 -17.362 0.888 1.00 0.00 N ATOM 846 CA ILE B 605 -4.965 -18.277 0.473 1.00 0.00 C ATOM 847 C ILE B 605 -4.895 -18.515 -1.032 1.00 0.00 C ATOM 848 O ILE B 605 -5.232 -19.590 -1.532 1.00 0.00 O ATOM 849 CB ILE B 605 -6.356 -17.702 0.834 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.424 -17.372 2.328 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.462 -18.678 0.455 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.626 -16.538 2.721 1.00 0.00 C ATOM 0 H ILE B 605 -4.248 -16.478 1.265 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.822 -19.221 0.999 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.504 -16.784 0.265 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.440 -18.303 2.895 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.517 -16.840 2.614 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.430 -18.251 0.719 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.429 -18.867 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.320 -19.615 0.993 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.601 -16.347 3.794 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.603 -15.590 2.183 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.540 -17.076 2.469 1.00 0.00 H new ATOM 901 N LEU B 609 -1.824 -14.555 -6.352 1.00 0.00 N ATOM 902 CA LEU B 609 -1.405 -13.411 -5.566 1.00 0.00 C ATOM 903 C LEU B 609 -0.440 -13.858 -4.477 1.00 0.00 C ATOM 904 O LEU B 609 -0.517 -14.994 -4.011 1.00 0.00 O ATOM 905 CB LEU B 609 -2.597 -12.714 -4.914 1.00 0.00 C ATOM 906 CG LEU B 609 -3.782 -12.372 -5.826 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.353 -12.075 -7.252 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.828 -13.469 -5.788 1.00 0.00 C ATOM 0 HA LEU B 609 -0.916 -12.708 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.962 -13.349 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.242 -11.790 -4.457 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.227 -11.457 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.230 -11.839 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.670 -11.225 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -2.850 -12.947 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.658 -13.203 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.385 -14.406 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.194 -13.588 -4.768 1.00 0.00 H new ATOM 920 N LYS B 610 0.466 -12.974 -4.081 1.00 0.00 N ATOM 921 CA LYS B 610 1.388 -13.256 -2.984 1.00 0.00 C ATOM 922 C LYS B 610 2.009 -11.970 -2.440 1.00 0.00 C ATOM 923 O LYS B 610 2.223 -11.003 -3.181 1.00 0.00 O ATOM 924 CB LYS B 610 2.466 -14.264 -3.409 1.00 0.00 C ATOM 925 CG LYS B 610 3.067 -14.017 -4.780 1.00 0.00 C ATOM 926 CD LYS B 610 3.962 -15.172 -5.199 1.00 0.00 C ATOM 927 CE LYS B 610 4.420 -15.041 -6.642 1.00 0.00 C ATOM 928 NZ LYS B 610 5.276 -16.186 -7.053 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.584 -12.053 -4.503 1.00 0.00 H new ATOM 0 HA LYS B 610 0.815 -13.711 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.267 -14.251 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.034 -15.265 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.270 -13.886 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.643 -13.092 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.833 -15.212 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS B 610 3.424 -16.112 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS B 610 3.550 -14.984 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.973 -14.110 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 5.569 -16.062 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 6.118 -16.226 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 4.739 -17.072 -6.959 1.00 0.00 H new ATOM 942 N ILE B 611 2.264 -11.975 -1.131 1.00 0.00 N ATOM 943 CA ILE B 611 2.780 -10.811 -0.409 1.00 0.00 C ATOM 944 C ILE B 611 4.307 -10.801 -0.434 1.00 0.00 C ATOM 945 O ILE B 611 4.945 -11.851 -0.539 1.00 0.00 O ATOM 946 CB ILE B 611 2.319 -10.837 1.076 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.788 -10.871 1.183 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.876 -9.654 1.849 1.00 0.00 C ATOM 949 CD1 ILE B 611 0.122 -9.516 1.386 1.00 0.00 C ATOM 0 H ILE B 611 2.117 -12.792 -0.538 1.00 0.00 H new ATOM 0 HA ILE B 611 2.392 -9.920 -0.902 1.00 0.00 H new ATOM 0 HB ILE B 611 2.714 -11.751 1.521 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.386 -11.323 0.276 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.512 -11.522 2.013 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.535 -9.702 2.883 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.965 -9.684 1.824 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.528 -8.726 1.395 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -0.958 -9.647 1.449 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.487 -9.066 2.309 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.360 -8.864 0.545 1.00 0.00 H new ATOM 961 N ASP B 612 4.883 -9.614 -0.337 1.00 0.00 N ATOM 962 CA ASP B 612 6.329 -9.468 -0.207 1.00 0.00 C ATOM 963 C ASP B 612 6.674 -8.707 1.067 1.00 0.00 C ATOM 964 O ASP B 612 5.837 -7.989 1.613 1.00 0.00 O ATOM 965 CB ASP B 612 6.922 -8.726 -1.402 1.00 0.00 C ATOM 966 CG ASP B 612 8.435 -8.776 -1.411 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.996 -9.808 -1.822 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 9.070 -7.798 -0.973 1.00 0.00 O ATOM 0 H ASP B 612 4.371 -8.732 -0.346 1.00 0.00 H new ATOM 0 HA ASP B 612 6.755 -10.471 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.540 -9.162 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.594 -7.687 -1.382 1.00 0.00 H new ATOM 973 N SER B 613 7.902 -8.869 1.539 1.00 0.00 N ATOM 974 CA SER B 613 8.380 -8.122 2.686 1.00 0.00 C ATOM 975 C SER B 613 9.572 -7.249 2.291 1.00 0.00 C ATOM 976 O SER B 613 10.708 -7.720 2.234 1.00 0.00 O ATOM 977 CB SER B 613 8.780 -9.079 3.811 1.00 0.00 C ATOM 978 OG SER B 613 7.752 -10.026 4.065 1.00 0.00 O ATOM 0 H SER B 613 8.585 -9.514 1.141 1.00 0.00 H new ATOM 0 HA SER B 613 7.576 -7.478 3.041 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.699 -9.599 3.541 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.989 -8.512 4.718 1.00 0.00 H new ATOM 0 HG SER B 613 8.032 -10.627 4.787 1.00 0.00 H new ATOM 984 N SER B 614 9.306 -5.983 2.003 1.00 0.00 N ATOM 985 CA SER B 614 10.361 -5.041 1.655 1.00 0.00 C ATOM 986 C SER B 614 10.451 -3.934 2.708 1.00 0.00 C ATOM 987 O SER B 614 9.602 -3.046 2.758 1.00 0.00 O ATOM 988 CB SER B 614 10.095 -4.444 0.272 1.00 0.00 C ATOM 989 OG SER B 614 10.152 -5.433 -0.744 1.00 0.00 O ATOM 0 H SER B 614 8.367 -5.584 2.003 1.00 0.00 H new ATOM 0 HA SER B 614 11.313 -5.571 1.629 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.114 -3.968 0.263 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.829 -3.665 0.064 1.00 0.00 H new ATOM 0 HG SER B 614 9.562 -6.179 -0.508 1.00 0.00 H new ATOM 995 N THR B 615 11.477 -3.993 3.551 1.00 0.00 N ATOM 996 CA THR B 615 11.604 -3.062 4.669 1.00 0.00 C ATOM 997 C THR B 615 12.254 -1.747 4.246 1.00 0.00 C ATOM 998 O THR B 615 13.430 -1.721 3.901 1.00 0.00 O ATOM 999 CB THR B 615 12.420 -3.685 5.820 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.854 -4.952 6.188 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.437 -2.762 7.034 1.00 0.00 C ATOM 0 H THR B 615 12.233 -4.675 3.482 1.00 0.00 H new ATOM 0 HA THR B 615 10.592 -2.852 5.015 1.00 0.00 H new ATOM 0 HB THR B 615 13.445 -3.827 5.476 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.377 -5.344 6.918 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.018 -3.222 7.833 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.888 -1.809 6.760 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.416 -2.595 7.378 1.00 0.00 H new ATOM 1009 N VAL B 616 11.480 -0.662 4.263 1.00 0.00 N ATOM 1010 CA VAL B 616 12.013 0.662 3.967 1.00 0.00 C ATOM 1011 C VAL B 616 13.187 1.003 4.878 1.00 0.00 C ATOM 1012 O VAL B 616 13.052 1.060 6.103 1.00 0.00 O ATOM 1013 CB VAL B 616 10.930 1.760 4.077 1.00 0.00 C ATOM 1014 CG1 VAL B 616 10.044 1.532 5.277 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.560 3.138 4.168 1.00 0.00 C ATOM 0 H VAL B 616 10.483 -0.677 4.479 1.00 0.00 H new ATOM 0 HA VAL B 616 12.363 0.632 2.935 1.00 0.00 H new ATOM 0 HB VAL B 616 10.322 1.706 3.174 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.292 2.319 5.329 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.551 0.564 5.186 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.649 1.547 6.184 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.777 3.892 4.244 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.199 3.188 5.049 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.157 3.325 3.276 1.00 0.00 H new ATOM 1025 N GLU B 617 14.335 1.207 4.260 1.00 0.00 N ATOM 1026 CA GLU B 617 15.548 1.551 4.968 1.00 0.00 C ATOM 1027 C GLU B 617 15.786 3.054 4.950 1.00 0.00 C ATOM 1028 O GLU B 617 16.504 3.588 5.796 1.00 0.00 O ATOM 1029 CB GLU B 617 16.717 0.839 4.308 1.00 0.00 C ATOM 1030 CG GLU B 617 16.577 -0.669 4.323 1.00 0.00 C ATOM 1031 CD GLU B 617 17.092 -1.288 5.603 1.00 0.00 C ATOM 1032 OE1 GLU B 617 16.523 -1.009 6.677 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.077 -2.056 5.541 1.00 0.00 O1- ATOM 0 H GLU B 617 14.450 1.138 3.249 1.00 0.00 H new ATOM 0 HA GLU B 617 15.452 1.239 6.008 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.807 1.180 3.277 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.639 1.118 4.817 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.528 -0.934 4.192 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.120 -1.089 3.476 1.00 0.00 H new ATOM 1040 N ARG B 618 15.180 3.736 3.985 1.00 0.00 N ATOM 1041 CA ARG B 618 15.428 5.156 3.799 1.00 0.00 C ATOM 1042 C ARG B 618 14.332 5.801 2.960 1.00 0.00 C ATOM 1043 O ARG B 618 13.830 5.202 2.009 1.00 0.00 O ATOM 1044 CB ARG B 618 16.803 5.357 3.152 1.00 0.00 C ATOM 1045 CG ARG B 618 17.109 6.798 2.790 1.00 0.00 C ATOM 1046 CD ARG B 618 18.574 6.993 2.423 1.00 0.00 C ATOM 1047 NE ARG B 618 19.046 6.039 1.417 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.081 6.273 0.605 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.673 7.461 0.606 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 20.510 5.326 -0.221 1.00 0.00 N ATOM 0 H ARG B 618 14.518 3.330 3.324 1.00 0.00 H new ATOM 0 HA ARG B 618 15.420 5.644 4.774 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.571 4.994 3.835 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.862 4.746 2.251 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.481 7.103 1.953 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.856 7.445 3.630 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.717 8.007 2.049 1.00 0.00 H new ATOM 0 HD3 ARG B 618 19.184 6.896 3.321 1.00 0.00 H new ATOM 0 HE ARG B 618 18.558 5.147 1.332 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.338 8.197 1.227 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.463 7.638 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG B 618 20.049 4.416 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG B 618 21.300 5.508 -0.839 1.00 0.00 H new ATOM 1064 N ILE B 619 13.955 7.015 3.335 1.00 0.00 N ATOM 1065 CA ILE B 619 12.942 7.770 2.616 1.00 0.00 C ATOM 1066 C ILE B 619 13.499 9.120 2.204 1.00 0.00 C ATOM 1067 O ILE B 619 13.860 9.937 3.051 1.00 0.00 O ATOM 1068 CB ILE B 619 11.677 7.974 3.475 1.00 0.00 C ATOM 1069 CG1 ILE B 619 11.011 6.629 3.733 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.707 8.934 2.797 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.900 6.686 4.758 1.00 0.00 C ATOM 0 H ILE B 619 14.342 7.502 4.143 1.00 0.00 H new ATOM 0 HA ILE B 619 12.665 7.199 1.730 1.00 0.00 H new ATOM 0 HB ILE B 619 11.968 8.415 4.428 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.608 6.247 2.795 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.766 5.918 4.068 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.824 9.061 3.423 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.192 9.900 2.653 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.411 8.529 1.829 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.474 5.691 4.888 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.300 7.037 5.709 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.124 7.371 4.416 1.00 0.00 H new ATOM 1083 N GLU B 620 13.573 9.347 0.910 1.00 0.00 N ATOM 1084 CA GLU B 620 14.146 10.578 0.398 1.00 0.00 C ATOM 1085 C GLU B 620 13.102 11.362 -0.373 1.00 0.00 C ATOM 1086 O GLU B 620 12.290 10.789 -1.101 1.00 0.00 O ATOM 1087 CB GLU B 620 15.345 10.284 -0.501 1.00 0.00 C ATOM 1088 CG GLU B 620 16.326 9.296 0.101 1.00 0.00 C ATOM 1089 CD GLU B 620 17.584 9.151 -0.724 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.496 8.630 -1.855 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 18.662 9.560 -0.249 1.00 0.00 O ATOM 0 H GLU B 620 13.245 8.699 0.194 1.00 0.00 H new ATOM 0 HA GLU B 620 14.485 11.174 1.245 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.987 9.894 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.866 11.217 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.591 9.620 1.107 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.844 8.323 0.196 1.00 0.00 H new ATOM 1098 N ASP B 621 13.121 12.667 -0.207 1.00 0.00 N ATOM 1099 CA ASP B 621 12.189 13.534 -0.900 1.00 0.00 C ATOM 1100 C ASP B 621 12.750 13.916 -2.261 1.00 0.00 C ATOM 1101 O ASP B 621 13.947 14.166 -2.406 1.00 0.00 O ATOM 1102 CB ASP B 621 11.893 14.788 -0.070 1.00 0.00 C ATOM 1103 CG ASP B 621 13.112 15.669 0.128 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.991 15.304 0.934 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 13.194 16.736 -0.517 1.00 0.00 O ATOM 0 H ASP B 621 13.775 13.154 0.405 1.00 0.00 H new ATOM 0 HA ASP B 621 11.252 12.995 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP B 621 11.110 15.366 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.505 14.489 0.904 1.00 0.00 H new ATOM 1110 N SER B 622 11.885 13.926 -3.256 1.00 0.00 N ATOM 1111 CA SER B 622 12.274 14.283 -4.607 1.00 0.00 C ATOM 1112 C SER B 622 11.761 15.683 -4.914 1.00 0.00 C ATOM 1113 O SER B 622 10.700 16.069 -4.423 1.00 0.00 O ATOM 1114 CB SER B 622 11.680 13.269 -5.592 1.00 0.00 C ATOM 1115 OG SER B 622 12.273 13.371 -6.872 1.00 0.00 O ATOM 0 H SER B 622 10.898 13.689 -3.153 1.00 0.00 H new ATOM 0 HA SER B 622 13.360 14.270 -4.703 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.822 12.260 -5.205 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.605 13.430 -5.675 1.00 0.00 H new ATOM 0 HG SER B 622 12.005 12.603 -7.419 1.00 0.00 H new ATOM 1121 N HIS B 623 12.504 16.455 -5.702 1.00 0.00 N ATOM 1122 CA HIS B 623 12.054 17.796 -6.059 1.00 0.00 C ATOM 1123 C HIS B 623 10.999 17.729 -7.154 1.00 0.00 C ATOM 1124 O HIS B 623 11.223 18.084 -8.311 1.00 0.00 O ATOM 1125 CB HIS B 623 13.213 18.732 -6.437 1.00 0.00 C ATOM 1126 CG HIS B 623 14.170 18.215 -7.472 1.00 0.00 C ATOM 1127 ND1 HIS B 623 13.973 18.366 -8.825 1.00 0.00 N ATOM 1128 CD2 HIS B 623 15.358 17.582 -7.337 1.00 0.00 C ATOM 1129 CE1 HIS B 623 14.995 17.847 -9.479 1.00 0.00 C ATOM 1130 NE2 HIS B 623 15.851 17.364 -8.599 1.00 0.00 N ATOM 0 H HIS B 623 13.403 16.182 -6.099 1.00 0.00 H new ATOM 0 HA HIS B 623 11.598 18.233 -5.170 1.00 0.00 H new ATOM 0 HB2 HIS B 623 12.792 19.671 -6.798 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.777 18.962 -5.533 1.00 0.00 H new ATOM 0 HD1 HIS B 623 13.162 18.810 -9.256 1.00 0.00 H new ATOM 0 HD2 HIS B 623 15.831 17.300 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS B 623 15.111 17.822 -10.552 1.00 0.00 H new ATOM 1139 N SER B 624 9.846 17.246 -6.745 1.00 0.00 N ATOM 1140 CA SER B 624 8.688 17.069 -7.598 1.00 0.00 C ATOM 1141 C SER B 624 7.450 17.012 -6.710 1.00 0.00 C ATOM 1142 O SER B 624 7.512 16.478 -5.601 1.00 0.00 O ATOM 1143 CB SER B 624 8.827 15.780 -8.415 1.00 0.00 C ATOM 1144 OG SER B 624 9.926 15.850 -9.308 1.00 0.00 O ATOM 0 H SER B 624 9.682 16.956 -5.781 1.00 0.00 H new ATOM 0 HA SER B 624 8.603 17.900 -8.299 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.957 14.933 -7.742 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.910 15.603 -8.977 1.00 0.00 H new ATOM 0 HG SER B 624 10.409 16.691 -9.167 1.00 0.00 H new ATOM 1150 N PRO B 625 6.328 17.586 -7.172 1.00 0.00 N ATOM 1151 CA PRO B 625 5.095 17.685 -6.381 1.00 0.00 C ATOM 1152 C PRO B 625 4.672 16.375 -5.739 1.00 0.00 C ATOM 1153 O PRO B 625 4.221 15.447 -6.417 1.00 0.00 O ATOM 1154 CB PRO B 625 4.051 18.122 -7.402 1.00 0.00 C ATOM 1155 CG PRO B 625 4.816 18.830 -8.466 1.00 0.00 C ATOM 1156 CD PRO B 625 6.183 18.203 -8.503 1.00 0.00 C ATOM 0 HA PRO B 625 5.227 18.370 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.514 17.264 -7.808 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.308 18.778 -6.949 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.319 18.732 -9.431 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.885 19.896 -8.250 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.260 17.461 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.959 18.947 -8.685 1.00 0.00 H new ATOM 1164 N GLY B 626 4.799 16.337 -4.420 1.00 0.00 N ATOM 1165 CA GLY B 626 4.385 15.192 -3.641 1.00 0.00 C ATOM 1166 C GLY B 626 5.132 13.923 -3.988 1.00 0.00 C ATOM 1167 O GLY B 626 4.563 12.842 -3.913 1.00 0.00 O ATOM 0 H GLY B 626 5.191 17.099 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.529 15.411 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.318 15.028 -3.790 1.00 0.00 H new ATOM 1171 N VAL B 627 6.397 14.037 -4.370 1.00 0.00 N ATOM 1172 CA VAL B 627 7.164 12.856 -4.751 1.00 0.00 C ATOM 1173 C VAL B 627 8.235 12.518 -3.726 1.00 0.00 C ATOM 1174 O VAL B 627 9.048 13.365 -3.346 1.00 0.00 O ATOM 1175 CB VAL B 627 7.823 13.019 -6.135 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.491 11.724 -6.575 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.791 13.458 -7.150 1.00 0.00 C ATOM 0 H VAL B 627 6.908 14.918 -4.424 1.00 0.00 H new ATOM 0 HA VAL B 627 6.447 12.036 -4.795 1.00 0.00 H new ATOM 0 HB VAL B 627 8.595 13.785 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.948 11.865 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.259 11.447 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.745 10.932 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.265 13.571 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL B 627 6.002 12.708 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.361 14.411 -6.843 1.00 0.00 H new ATOM 1187 N ALA B 628 8.226 11.272 -3.286 1.00 0.00 N ATOM 1188 CA ALA B 628 9.235 10.765 -2.376 1.00 0.00 C ATOM 1189 C ALA B 628 9.628 9.360 -2.786 1.00 0.00 C ATOM 1190 O ALA B 628 8.777 8.535 -3.120 1.00 0.00 O ATOM 1191 CB ALA B 628 8.728 10.780 -0.942 1.00 0.00 C ATOM 0 H ALA B 628 7.520 10.585 -3.550 1.00 0.00 H new ATOM 0 HA ALA B 628 10.111 11.411 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.502 10.395 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.479 11.802 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.839 10.154 -0.864 1.00 0.00 H new ATOM 1197 N VAL B 629 10.918 9.097 -2.776 1.00 0.00 N ATOM 1198 CA VAL B 629 11.420 7.792 -3.142 1.00 0.00 C ATOM 1199 C VAL B 629 11.705 6.969 -1.901 1.00 0.00 C ATOM 1200 O VAL B 629 12.569 7.308 -1.084 1.00 0.00 O ATOM 1201 CB VAL B 629 12.670 7.882 -4.039 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.572 9.001 -3.576 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.419 6.560 -4.064 1.00 0.00 C ATOM 0 H VAL B 629 11.638 9.772 -2.518 1.00 0.00 H new ATOM 0 HA VAL B 629 10.645 7.294 -3.725 1.00 0.00 H new ATOM 0 HB VAL B 629 12.344 8.100 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.450 9.051 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL B 629 13.032 9.947 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.886 8.814 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.297 6.651 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.733 6.300 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.766 5.779 -4.453 1.00 0.00 H new ATOM 1213 N ILE B 630 10.946 5.904 -1.756 1.00 0.00 N ATOM 1214 CA ILE B 630 11.093 5.017 -0.634 1.00 0.00 C ATOM 1215 C ILE B 630 12.066 3.906 -1.000 1.00 0.00 C ATOM 1216 O ILE B 630 11.818 3.135 -1.927 1.00 0.00 O ATOM 1217 CB ILE B 630 9.743 4.406 -0.221 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.620 5.443 -0.308 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.837 3.853 1.188 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.814 6.632 0.604 1.00 0.00 C ATOM 0 H ILE B 630 10.214 5.634 -2.413 1.00 0.00 H new ATOM 0 HA ILE B 630 11.475 5.590 0.211 1.00 0.00 H new ATOM 0 HB ILE B 630 9.508 3.595 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.543 5.795 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.673 4.961 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.878 3.422 1.474 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.607 3.082 1.226 1.00 0.00 H new ATOM 0 HG23 ILE B 630 10.094 4.657 1.878 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.978 7.322 0.485 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.861 6.293 1.639 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.743 7.140 0.346 1.00 0.00 H new ATOM 1232 N GLN B 631 13.184 3.856 -0.303 1.00 0.00 N ATOM 1233 CA GLN B 631 14.205 2.862 -0.572 1.00 0.00 C ATOM 1234 C GLN B 631 14.010 1.661 0.341 1.00 0.00 C ATOM 1235 O GLN B 631 14.183 1.757 1.561 1.00 0.00 O ATOM 1236 CB GLN B 631 15.590 3.482 -0.391 1.00 0.00 C ATOM 1237 CG GLN B 631 16.741 2.546 -0.713 1.00 0.00 C ATOM 1238 CD GLN B 631 18.045 3.288 -0.948 1.00 0.00 C ATOM 1239 OE1 GLN B 631 19.126 2.791 -0.629 1.00 0.00 O ATOM 1240 NE2 GLN B 631 17.960 4.481 -1.523 1.00 0.00 N ATOM 0 H GLN B 631 13.409 4.496 0.458 1.00 0.00 H new ATOM 0 HA GLN B 631 14.121 2.518 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.666 4.364 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.691 3.822 0.640 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.871 1.840 0.107 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.494 1.963 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN B 631 17.048 4.862 -1.774 1.00 0.00 H new ATOM 0 HE22 GLN B 631 18.807 5.017 -1.714 1.00 0.00 H new ATOM 1249 N PHE B 632 13.626 0.543 -0.261 1.00 0.00 N ATOM 1250 CA PHE B 632 13.275 -0.657 0.486 1.00 0.00 C ATOM 1251 C PHE B 632 14.377 -1.706 0.434 1.00 0.00 C ATOM 1252 O PHE B 632 15.130 -1.794 -0.534 1.00 0.00 O ATOM 1253 CB PHE B 632 12.000 -1.288 -0.072 1.00 0.00 C ATOM 1254 CG PHE B 632 10.770 -0.429 0.005 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.015 -0.381 1.164 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.351 0.303 -1.092 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.867 0.379 1.229 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.204 1.070 -1.034 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.460 1.106 0.127 1.00 0.00 C ATOM 0 H PHE B 632 13.549 0.443 -1.273 1.00 0.00 H new ATOM 0 HA PHE B 632 13.127 -0.342 1.519 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.173 -1.554 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.809 -2.216 0.466 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.330 -0.946 2.029 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.928 0.274 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.287 0.406 2.140 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.890 1.640 -1.896 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.560 1.702 0.174 1.00 0.00 H new ATOM 1269 N ALA B 633 14.446 -2.495 1.493 1.00 0.00 N ATOM 1270 CA ALA B 633 15.290 -3.671 1.542 1.00 0.00 C ATOM 1271 C ALA B 633 14.482 -4.896 1.141 1.00 0.00 C ATOM 1272 O ALA B 633 13.655 -5.384 1.913 1.00 0.00 O ATOM 1273 CB ALA B 633 15.857 -3.848 2.940 1.00 0.00 C ATOM 0 H ALA B 633 13.913 -2.334 2.348 1.00 0.00 H new ATOM 0 HA ALA B 633 16.119 -3.548 0.845 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.490 -4.735 2.966 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.448 -2.972 3.206 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.040 -3.964 3.652 1.00 0.00 H new ATOM 1279 N VAL B 634 14.707 -5.367 -0.070 1.00 0.00 N ATOM 1280 CA VAL B 634 13.965 -6.494 -0.605 1.00 0.00 C ATOM 1281 C VAL B 634 14.679 -7.814 -0.331 1.00 0.00 C ATOM 1282 O VAL B 634 15.847 -7.990 -0.689 1.00 0.00 O ATOM 1283 CB VAL B 634 13.753 -6.342 -2.122 1.00 0.00 C ATOM 1284 CG1 VAL B 634 13.081 -7.576 -2.703 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.938 -5.091 -2.425 1.00 0.00 C ATOM 0 H VAL B 634 15.404 -4.983 -0.708 1.00 0.00 H new ATOM 0 HA VAL B 634 12.998 -6.505 -0.102 1.00 0.00 H new ATOM 0 HB VAL B 634 14.730 -6.238 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.942 -7.444 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.707 -8.450 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL B 634 12.111 -7.720 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.798 -5.000 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.966 -5.163 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.466 -4.213 -2.052 1.00 0.00 H new ATOM 1295 N GLY B 635 13.971 -8.731 0.307 1.00 0.00 N ATOM 1296 CA GLY B 635 14.494 -10.061 0.521 1.00 0.00 C ATOM 1297 C GLY B 635 15.303 -10.172 1.791 1.00 0.00 C ATOM 1298 O GLY B 635 15.514 -9.183 2.496 1.00 0.00 O ATOM 0 H GLY B 635 13.036 -8.575 0.683 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.667 -10.770 0.559 1.00 0.00 H new ATOM 0 HA3 GLY B 635 15.117 -10.343 -0.328 1.00 0.00 H new ATOM 1302 N GLU B 636 15.781 -11.373 2.064 1.00 0.00 N ATOM 1303 CA GLU B 636 16.532 -11.654 3.274 1.00 0.00 C ATOM 1304 C GLU B 636 17.943 -11.078 3.186 1.00 0.00 C ATOM 1305 O GLU B 636 18.661 -11.014 4.183 1.00 0.00 O ATOM 1306 CB GLU B 636 16.589 -13.162 3.505 1.00 0.00 C ATOM 1307 CG GLU B 636 15.220 -13.824 3.572 1.00 0.00 C ATOM 1308 CD GLU B 636 14.400 -13.364 4.761 1.00 0.00 C ATOM 1309 OE1 GLU B 636 13.771 -12.287 4.684 1.00 0.00 O ATOM 1310 OE2 GLU B 636 14.377 -14.079 5.783 1.00 0.00 O1- ATOM 0 H GLU B 636 15.659 -12.181 1.453 1.00 0.00 H new ATOM 0 HA GLU B 636 16.027 -11.180 4.115 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.166 -13.622 2.703 1.00 0.00 H new ATOM 0 HB3 GLU B 636 17.123 -13.358 4.435 1.00 0.00 H new ATOM 0 HG2 GLU B 636 14.673 -13.609 2.654 1.00 0.00 H new ATOM 0 HG3 GLU B 636 15.347 -14.905 3.621 1.00 0.00 H new ATOM 1317 N HIS B 637 18.335 -10.662 1.985 1.00 0.00 N ATOM 1318 CA HIS B 637 19.651 -10.068 1.770 1.00 0.00 C ATOM 1319 C HIS B 637 19.586 -8.547 1.822 1.00 0.00 C ATOM 1320 O HIS B 637 20.607 -7.867 1.701 1.00 0.00 O ATOM 1321 CB HIS B 637 20.240 -10.503 0.426 1.00 0.00 C ATOM 1322 CG HIS B 637 20.619 -11.948 0.369 1.00 0.00 C ATOM 1323 ND1 HIS B 637 19.993 -12.859 -0.453 1.00 0.00 N ATOM 1324 CD2 HIS B 637 21.578 -12.637 1.029 1.00 0.00 C ATOM 1325 CE1 HIS B 637 20.550 -14.043 -0.293 1.00 0.00 C ATOM 1326 NE2 HIS B 637 21.512 -13.935 0.600 1.00 0.00 N ATOM 0 H HIS B 637 17.760 -10.725 1.145 1.00 0.00 H new ATOM 0 HA HIS B 637 20.296 -10.423 2.574 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.515 -10.297 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS B 637 21.121 -9.898 0.214 1.00 0.00 H new ATOM 0 HD2 HIS B 637 22.267 -12.237 1.758 1.00 0.00 H new ATOM 0 HE1 HIS B 637 20.265 -14.949 -0.807 1.00 0.00 H new ATOM 0 HE2 HIS B 637 22.111 -14.696 0.920 1.00 0.00 H new ATOM 1335 N ARG B 638 18.368 -8.033 2.000 1.00 0.00 N ATOM 1336 CA ARG B 638 18.110 -6.594 2.044 1.00 0.00 C ATOM 1337 C ARG B 638 18.595 -5.891 0.778 1.00 0.00 C ATOM 1338 O ARG B 638 19.318 -4.898 0.846 1.00 0.00 O ATOM 1339 CB ARG B 638 18.748 -5.948 3.280 1.00 0.00 C ATOM 1340 CG ARG B 638 18.104 -6.368 4.589 1.00 0.00 C ATOM 1341 CD ARG B 638 18.570 -5.495 5.743 1.00 0.00 C ATOM 1342 NE ARG B 638 17.928 -5.870 7.003 1.00 0.00 N ATOM 1343 CZ ARG B 638 17.380 -5.002 7.855 1.00 0.00 C ATOM 1344 NH1 ARG B 638 17.359 -3.705 7.581 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 16.831 -5.439 8.978 1.00 0.00 N ATOM 0 H ARG B 638 17.531 -8.605 2.118 1.00 0.00 H new ATOM 0 HA ARG B 638 17.029 -6.472 2.107 1.00 0.00 H new ATOM 0 HB2 ARG B 638 19.807 -6.205 3.307 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.685 -4.864 3.186 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.020 -6.306 4.499 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.347 -7.410 4.798 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.652 -5.578 5.848 1.00 0.00 H new ATOM 0 HD3 ARG B 638 18.351 -4.451 5.520 1.00 0.00 H new ATOM 0 HE ARG B 638 17.897 -6.860 7.246 1.00 0.00 H new ATOM 0 HH11 ARG B 638 17.765 -3.361 6.711 1.00 0.00 H new ATOM 0 HH12 ARG B 638 16.937 -3.051 8.240 1.00 0.00 H new ATOM 0 HH21 ARG B 638 16.828 -6.437 9.190 1.00 0.00 H new ATOM 0 HH22 ARG B 638 16.411 -4.778 9.631 1.00 0.00 H new ATOM 1359 N ALA B 639 18.171 -6.389 -0.376 1.00 0.00 N ATOM 1360 CA ALA B 639 18.551 -5.783 -1.640 1.00 0.00 C ATOM 1361 C ALA B 639 17.797 -4.476 -1.827 1.00 0.00 C ATOM 1362 O ALA B 639 16.566 -4.461 -1.837 1.00 0.00 O ATOM 1363 CB ALA B 639 18.279 -6.733 -2.795 1.00 0.00 C ATOM 0 H ALA B 639 17.567 -7.207 -0.461 1.00 0.00 H new ATOM 0 HA ALA B 639 19.621 -5.574 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.571 -6.259 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.854 -7.648 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA B 639 17.216 -6.974 -2.826 1.00 0.00 H new ATOM 1369 N GLN B 640 18.536 -3.389 -1.963 1.00 0.00 N ATOM 1370 CA GLN B 640 17.939 -2.061 -1.990 1.00 0.00 C ATOM 1371 C GLN B 640 17.192 -1.785 -3.277 1.00 0.00 C ATOM 1372 O GLN B 640 17.560 -2.267 -4.349 1.00 0.00 O ATOM 1373 CB GLN B 640 18.976 -0.976 -1.779 1.00 0.00 C ATOM 1374 CG GLN B 640 19.342 -0.756 -0.328 1.00 0.00 C ATOM 1375 CD GLN B 640 18.222 -1.074 0.638 1.00 0.00 C ATOM 1376 OE1 GLN B 640 17.400 -0.220 0.956 1.00 0.00 O ATOM 1377 NE2 GLN B 640 18.201 -2.294 1.138 1.00 0.00 N ATOM 0 H GLN B 640 19.552 -3.398 -2.057 1.00 0.00 H new ATOM 0 HA GLN B 640 17.225 -2.045 -1.167 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.877 -1.234 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.600 -0.041 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN B 640 20.207 -1.373 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.643 0.283 -0.192 1.00 0.00 H new ATOM 0 HE21 GLN B 640 18.902 -2.976 0.848 1.00 0.00 H new ATOM 0 HE22 GLN B 640 17.484 -2.556 1.814 1.00 0.00 H new ATOM 1386 N VAL B 641 16.154 -0.978 -3.140 1.00 0.00 N ATOM 1387 CA VAL B 641 15.295 -0.587 -4.251 1.00 0.00 C ATOM 1388 C VAL B 641 14.738 0.805 -3.992 1.00 0.00 C ATOM 1389 O VAL B 641 13.991 1.014 -3.036 1.00 0.00 O ATOM 1390 CB VAL B 641 14.113 -1.566 -4.461 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.166 -1.046 -5.529 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.607 -2.952 -4.842 1.00 0.00 C ATOM 0 H VAL B 641 15.879 -0.570 -2.246 1.00 0.00 H new ATOM 0 HA VAL B 641 15.906 -0.604 -5.153 1.00 0.00 H new ATOM 0 HB VAL B 641 13.576 -1.638 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.344 -1.749 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.770 -0.077 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.704 -0.938 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.754 -3.616 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.178 -2.893 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.244 -3.342 -4.048 1.00 0.00 H new ATOM 1402 N SER B 642 15.117 1.756 -4.825 1.00 0.00 N ATOM 1403 CA SER B 642 14.659 3.127 -4.674 1.00 0.00 C ATOM 1404 C SER B 642 13.587 3.464 -5.710 1.00 0.00 C ATOM 1405 O SER B 642 13.858 3.499 -6.910 1.00 0.00 O ATOM 1406 CB SER B 642 15.851 4.079 -4.792 1.00 0.00 C ATOM 1407 OG SER B 642 16.675 3.723 -5.891 1.00 0.00 O ATOM 0 H SER B 642 15.743 1.605 -5.616 1.00 0.00 H new ATOM 0 HA SER B 642 14.208 3.243 -3.688 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.494 5.102 -4.916 1.00 0.00 H new ATOM 0 HB3 SER B 642 16.434 4.054 -3.872 1.00 0.00 H new ATOM 0 HG SER B 642 16.115 3.536 -6.673 1.00 0.00 H new ATOM 1413 N VAL B 643 12.365 3.695 -5.246 1.00 0.00 N ATOM 1414 CA VAL B 643 11.259 4.006 -6.132 1.00 0.00 C ATOM 1415 C VAL B 643 10.606 5.346 -5.768 1.00 0.00 C ATOM 1416 O VAL B 643 10.181 5.557 -4.632 1.00 0.00 O ATOM 1417 CB VAL B 643 10.210 2.875 -6.096 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.818 2.531 -4.664 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.990 3.259 -6.902 1.00 0.00 C ATOM 0 H VAL B 643 12.118 3.672 -4.257 1.00 0.00 H new ATOM 0 HA VAL B 643 11.657 4.092 -7.143 1.00 0.00 H new ATOM 0 HB VAL B 643 10.658 1.987 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.078 1.731 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.700 2.204 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.395 3.412 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.261 2.450 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.549 4.164 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.280 3.440 -7.937 1.00 0.00 H new ATOM 1429 N GLU B 644 10.552 6.253 -6.740 1.00 0.00 N ATOM 1430 CA GLU B 644 9.927 7.561 -6.551 1.00 0.00 C ATOM 1431 C GLU B 644 8.420 7.475 -6.777 1.00 0.00 C ATOM 1432 O GLU B 644 7.969 7.351 -7.915 1.00 0.00 O ATOM 1433 CB GLU B 644 10.513 8.582 -7.529 1.00 0.00 C ATOM 1434 CG GLU B 644 11.943 8.981 -7.228 1.00 0.00 C ATOM 1435 CD GLU B 644 12.511 9.919 -8.267 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.212 11.128 -8.211 1.00 0.00 O1- ATOM 1437 OE2 GLU B 644 13.253 9.444 -9.153 1.00 0.00 O ATOM 0 H GLU B 644 10.936 6.105 -7.673 1.00 0.00 H new ATOM 0 HA GLU B 644 10.125 7.878 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.467 8.170 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.889 9.476 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.985 9.459 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.563 8.086 -7.173 1.00 0.00 H new ATOM 1444 N VAL B 645 7.648 7.528 -5.705 1.00 0.00 N ATOM 1445 CA VAL B 645 6.205 7.514 -5.809 1.00 0.00 C ATOM 1446 C VAL B 645 5.637 8.812 -5.255 1.00 0.00 C ATOM 1447 O VAL B 645 6.329 9.548 -4.547 1.00 0.00 O ATOM 1448 CB VAL B 645 5.596 6.340 -5.016 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.120 6.234 -5.298 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.303 5.032 -5.328 1.00 0.00 C ATOM 0 H VAL B 645 8.002 7.581 -4.750 1.00 0.00 H new ATOM 0 HA VAL B 645 5.951 7.401 -6.863 1.00 0.00 H new ATOM 0 HB VAL B 645 5.736 6.539 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL B 645 3.700 5.402 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL B 645 3.626 7.159 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.964 6.064 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.848 4.226 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL B 645 6.212 4.814 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.357 5.116 -5.064 1.00 0.00 H new ATOM 1460 N LEU B 646 4.389 9.104 -5.584 1.00 0.00 N ATOM 1461 CA LEU B 646 3.697 10.195 -4.941 1.00 0.00 C ATOM 1462 C LEU B 646 3.384 9.812 -3.509 1.00 0.00 C ATOM 1463 O LEU B 646 3.042 8.668 -3.218 1.00 0.00 O ATOM 1464 CB LEU B 646 2.398 10.588 -5.653 1.00 0.00 C ATOM 1465 CG LEU B 646 2.562 11.231 -7.025 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.363 12.104 -7.355 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.836 12.045 -7.097 1.00 0.00 C ATOM 0 H LEU B 646 3.844 8.603 -6.286 1.00 0.00 H new ATOM 0 HA LEU B 646 4.358 11.061 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.781 9.696 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.849 11.278 -5.012 1.00 0.00 H new ATOM 0 HG LEU B 646 2.626 10.430 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.500 12.554 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.459 11.495 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.269 12.891 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU B 646 3.927 12.492 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.807 12.833 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.693 11.397 -6.912 1.00 0.00 H new ATOM 1479 N VAL B 647 3.494 10.782 -2.625 1.00 0.00 N ATOM 1480 CA VAL B 647 3.308 10.551 -1.203 1.00 0.00 C ATOM 1481 C VAL B 647 1.855 10.211 -0.885 1.00 0.00 C ATOM 1482 O VAL B 647 1.554 9.644 0.166 1.00 0.00 O ATOM 1483 CB VAL B 647 3.763 11.767 -0.360 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.261 11.981 -0.498 1.00 0.00 C ATOM 1485 CG2 VAL B 647 3.006 13.031 -0.755 1.00 0.00 C ATOM 0 H VAL B 647 3.713 11.748 -2.867 1.00 0.00 H new ATOM 0 HA VAL B 647 3.934 9.699 -0.936 1.00 0.00 H new ATOM 0 HB VAL B 647 3.535 11.552 0.684 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.563 12.840 0.101 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.789 11.093 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.508 12.164 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.349 13.866 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL B 647 3.189 13.251 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.938 12.880 -0.596 1.00 0.00 H new ATOM 1495 N GLU B 648 0.962 10.548 -1.813 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.466 10.300 -1.640 1.00 0.00 C ATOM 1497 C GLU B 648 -0.818 8.860 -1.985 1.00 0.00 C ATOM 1498 O GLU B 648 -1.962 8.433 -1.809 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.284 11.279 -2.494 1.00 0.00 C ATOM 1500 CG GLU B 648 -0.881 11.321 -3.963 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.790 10.496 -4.854 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.563 9.279 -4.986 1.00 0.00 O1- ATOM 1503 OE2 GLU B 648 -2.737 11.071 -5.435 1.00 0.00 O ATOM 0 H GLU B 648 1.205 10.996 -2.697 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.715 10.461 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.338 11.008 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.184 12.280 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.888 12.356 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU B 648 0.142 10.959 -4.063 1.00 0.00 H new ATOM 1510 N TYR B 649 0.167 8.118 -2.471 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.037 6.725 -2.817 1.00 0.00 C ATOM 1512 C TYR B 649 -0.171 5.891 -1.545 1.00 0.00 C ATOM 1513 O TYR B 649 0.669 5.980 -0.647 1.00 0.00 O ATOM 1514 CB TYR B 649 1.119 6.209 -3.682 1.00 0.00 C ATOM 1515 CG TYR B 649 0.884 4.824 -4.244 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.066 4.638 -5.352 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.474 3.707 -3.670 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.159 3.378 -5.869 1.00 0.00 C ATOM 1519 CE2 TYR B 649 1.253 2.444 -4.183 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.436 2.285 -5.282 1.00 0.00 C ATOM 1521 OH TYR B 649 0.215 1.025 -5.794 1.00 0.00 O ATOM 0 H TYR B 649 1.114 8.460 -2.633 1.00 0.00 H new ATOM 0 HA TYR B 649 -0.957 6.636 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.283 6.903 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR B 649 2.032 6.200 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -0.402 5.494 -5.816 1.00 0.00 H new ATOM 0 HD2 TYR B 649 2.115 3.827 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -0.799 3.251 -6.730 1.00 0.00 H new ATOM 0 HE2 TYR B 649 1.719 1.584 -3.725 1.00 0.00 H new ATOM 0 HH TYR B 649 1.068 0.631 -6.073 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.250 5.099 -1.437 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.492 4.244 -0.274 1.00 0.00 C ATOM 1533 C PRO B 650 -0.492 3.096 -0.179 1.00 0.00 C ATOM 1534 O PRO B 650 -0.254 2.383 -1.156 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.906 3.696 -0.509 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.490 4.533 -1.592 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.332 4.983 -2.425 1.00 0.00 C ATOM 0 HA PRO B 650 -1.386 4.798 0.659 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.875 2.646 -0.800 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.505 3.758 0.399 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.202 3.962 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.030 5.385 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.091 4.263 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.533 5.934 -2.919 1.00 0.00 H new ATOM 1545 N PHE B 651 0.087 2.915 0.999 1.00 0.00 N ATOM 1546 CA PHE B 651 1.049 1.846 1.217 1.00 0.00 C ATOM 1547 C PHE B 651 0.591 0.914 2.331 1.00 0.00 C ATOM 1548 O PHE B 651 0.666 1.245 3.517 1.00 0.00 O ATOM 1549 CB PHE B 651 2.434 2.410 1.556 1.00 0.00 C ATOM 1550 CG PHE B 651 3.160 3.004 0.381 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.915 2.201 -0.461 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.098 4.363 0.122 1.00 0.00 C ATOM 1553 CE1 PHE B 651 4.591 2.744 -1.538 1.00 0.00 C ATOM 1554 CE2 PHE B 651 3.771 4.910 -0.954 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.518 4.101 -1.785 1.00 0.00 C ATOM 0 H PHE B 651 -0.093 3.495 1.818 1.00 0.00 H new ATOM 0 HA PHE B 651 1.117 1.279 0.289 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.325 3.174 2.326 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.044 1.614 1.982 1.00 0.00 H new ATOM 0 HD1 PHE B 651 3.976 1.139 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE B 651 2.517 5.003 0.769 1.00 0.00 H new ATOM 0 HE1 PHE B 651 5.176 2.108 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE B 651 3.712 5.971 -1.144 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.044 4.527 -2.626 1.00 0.00 H new ATOM 1565 N PHE B 652 0.105 -0.251 1.940 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.217 -1.299 2.889 1.00 0.00 C ATOM 1567 C PHE B 652 1.073 -1.888 3.431 1.00 0.00 C ATOM 1568 O PHE B 652 1.945 -2.301 2.663 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.063 -2.385 2.225 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.404 -2.555 2.868 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.525 -3.233 4.065 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.540 -2.021 2.283 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.754 -3.380 4.668 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.773 -2.163 2.886 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.880 -2.844 4.081 1.00 0.00 C ATOM 0 H PHE B 652 -0.076 -0.495 0.966 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.798 -0.878 3.709 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.199 -2.139 1.172 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.525 -3.332 2.264 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.647 -3.652 4.533 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.460 -1.489 1.347 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.836 -3.916 5.602 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.653 -1.742 2.423 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.844 -2.957 4.555 1.00 0.00 H new ATOM 1585 N VAL B 653 1.212 -1.907 4.743 1.00 0.00 N ATOM 1586 CA VAL B 653 2.469 -2.292 5.341 1.00 0.00 C ATOM 1587 C VAL B 653 2.373 -3.667 6.019 1.00 0.00 C ATOM 1588 O VAL B 653 1.562 -3.866 6.923 1.00 0.00 O ATOM 1589 CB VAL B 653 2.946 -1.224 6.338 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.353 -1.509 6.756 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.866 0.168 5.740 1.00 0.00 C ATOM 0 H VAL B 653 0.477 -1.663 5.406 1.00 0.00 H new ATOM 0 HA VAL B 653 3.205 -2.370 4.541 1.00 0.00 H new ATOM 0 HB VAL B 653 2.288 -1.260 7.207 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.684 -0.748 7.463 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.400 -2.489 7.230 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.002 -1.498 5.880 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.211 0.899 6.472 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.496 0.219 4.852 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.834 0.388 5.466 1.00 0.00 H new ATOM 1601 N PHE B 654 3.283 -4.559 5.603 1.00 0.00 N ATOM 1602 CA PHE B 654 3.248 -6.015 5.863 1.00 0.00 C ATOM 1603 C PHE B 654 2.619 -6.426 7.202 1.00 0.00 C ATOM 1604 O PHE B 654 1.656 -7.183 7.221 1.00 0.00 O ATOM 1605 CB PHE B 654 4.671 -6.577 5.717 1.00 0.00 C ATOM 1606 CG PHE B 654 4.823 -8.021 6.112 1.00 0.00 C ATOM 1607 CD1 PHE B 654 4.403 -9.031 5.262 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.390 -8.366 7.329 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.548 -10.357 5.616 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.538 -9.693 7.687 1.00 0.00 C ATOM 1611 CZ PHE B 654 5.115 -10.689 6.830 1.00 0.00 C ATOM 0 H PHE B 654 4.097 -4.281 5.055 1.00 0.00 H new ATOM 0 HA PHE B 654 2.580 -6.449 5.119 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.987 -6.464 4.680 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.348 -5.976 6.324 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.957 -8.778 4.312 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.719 -7.590 8.004 1.00 0.00 H new ATOM 0 HE1 PHE B 654 4.218 -11.135 4.943 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.984 -9.950 8.636 1.00 0.00 H new ATOM 0 HZ PHE B 654 5.227 -11.726 7.109 1.00 0.00 H new ATOM 1621 N GLY B 655 3.162 -5.969 8.308 1.00 0.00 N ATOM 1622 CA GLY B 655 2.561 -6.273 9.594 1.00 0.00 C ATOM 1623 C GLY B 655 2.569 -5.061 10.484 1.00 0.00 C ATOM 1624 O GLY B 655 2.493 -5.160 11.711 1.00 0.00 O ATOM 0 H GLY B 655 4.004 -5.395 8.348 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.537 -6.618 9.450 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.107 -7.086 10.073 1.00 0.00 H new ATOM 1628 N GLN B 656 2.669 -3.907 9.847 1.00 0.00 N ATOM 1629 CA GLN B 656 2.894 -2.661 10.550 1.00 0.00 C ATOM 1630 C GLN B 656 1.620 -1.813 10.546 1.00 0.00 C ATOM 1631 O GLN B 656 1.355 -1.082 11.501 1.00 0.00 O ATOM 1632 CB GLN B 656 4.061 -1.891 9.908 1.00 0.00 C ATOM 1633 CG GLN B 656 5.430 -2.586 9.948 1.00 0.00 C ATOM 1634 CD GLN B 656 5.490 -3.911 9.203 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.687 -3.840 7.901 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.358 -4.981 9.787 1.00 0.00 N flip ATOM 0 H GLN B 656 2.597 -3.810 8.834 1.00 0.00 H new ATOM 0 HA GLN B 656 3.156 -2.883 11.585 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.808 -1.690 8.867 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.151 -0.926 10.406 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.177 -1.913 9.526 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.706 -2.757 10.989 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.207 -4.996 10.796 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.399 -5.856 9.264 1.00 0.00 H new ATOM 1645 N GLY B 657 0.828 -1.913 9.474 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.463 -1.244 9.457 1.00 0.00 C ATOM 1647 C GLY B 657 -0.854 -0.661 8.108 1.00 0.00 C ATOM 1648 O GLY B 657 -0.154 -0.835 7.110 1.00 0.00 O ATOM 0 H GLY B 657 1.055 -2.438 8.630 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.230 -1.954 9.768 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.452 -0.442 10.196 1.00 0.00 H new ATOM 1652 N TRP B 658 -1.998 0.020 8.099 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.533 0.677 6.908 1.00 0.00 C ATOM 1654 C TRP B 658 -1.980 2.107 6.837 1.00 0.00 C ATOM 1655 O TRP B 658 -2.439 2.993 7.561 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.077 0.669 6.999 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.837 1.043 5.755 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.178 1.293 5.704 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.353 1.200 4.406 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.563 1.585 4.424 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.467 1.538 3.610 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.102 1.090 3.786 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.368 1.763 2.244 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.013 1.315 2.426 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.138 1.646 1.673 1.00 0.00 C ATOM 0 H TRP B 658 -2.585 0.132 8.926 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.235 0.153 6.000 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.393 -0.329 7.302 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.373 1.352 7.795 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.842 1.264 6.555 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.514 1.802 4.126 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.224 0.834 4.360 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.236 2.022 1.655 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.054 1.233 1.937 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.031 1.814 0.611 1.00 0.00 H new ATOM 1676 N SER B 659 -0.984 2.328 5.980 1.00 0.00 N ATOM 1677 CA SER B 659 -0.232 3.576 6.004 1.00 0.00 C ATOM 1678 C SER B 659 -0.168 4.261 4.634 1.00 0.00 C ATOM 1679 O SER B 659 -0.561 3.702 3.612 1.00 0.00 O ATOM 1680 CB SER B 659 1.186 3.295 6.514 1.00 0.00 C ATOM 1681 OG SER B 659 1.151 2.685 7.794 1.00 0.00 O ATOM 0 H SER B 659 -0.683 1.664 5.267 1.00 0.00 H new ATOM 0 HA SER B 659 -0.753 4.262 6.672 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.708 2.645 5.811 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.750 4.227 6.566 1.00 0.00 H new ATOM 0 HG SER B 659 2.066 2.513 8.100 1.00 0.00 H new ATOM 1687 N SER B 660 0.284 5.507 4.651 1.00 0.00 N ATOM 1688 CA SER B 660 0.570 6.272 3.447 1.00 0.00 C ATOM 1689 C SER B 660 1.676 7.271 3.759 1.00 0.00 C ATOM 1690 O SER B 660 1.905 7.605 4.924 1.00 0.00 O ATOM 1691 CB SER B 660 -0.687 6.996 2.955 1.00 0.00 C ATOM 1692 OG SER B 660 -1.717 6.072 2.648 1.00 0.00 O ATOM 0 H SER B 660 0.465 6.021 5.513 1.00 0.00 H new ATOM 0 HA SER B 660 0.895 5.599 2.653 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.033 7.692 3.719 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.448 7.587 2.071 1.00 0.00 H new ATOM 0 HG SER B 660 -1.394 5.159 2.800 1.00 0.00 H new ATOM 1698 N CYS B 661 2.376 7.726 2.728 1.00 0.00 N ATOM 1699 CA CYS B 661 3.495 8.641 2.914 1.00 0.00 C ATOM 1700 C CYS B 661 3.007 10.042 3.259 1.00 0.00 C ATOM 1701 O CYS B 661 3.788 10.895 3.684 1.00 0.00 O ATOM 1702 CB CYS B 661 4.371 8.677 1.665 1.00 0.00 C ATOM 1703 SG CYS B 661 5.179 7.106 1.292 1.00 0.00 S ATOM 0 H CYS B 661 2.190 7.477 1.757 1.00 0.00 H new ATOM 0 HA CYS B 661 4.092 8.275 3.749 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.759 8.971 0.812 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.134 9.446 1.790 1.00 0.00 H new ATOM 0 HG CYS B 661 4.409 6.393 0.525 1.00 0.00 H new ATOM 1709 N CYS B 662 1.715 10.279 3.086 1.00 0.00 N ATOM 1710 CA CYS B 662 1.126 11.537 3.486 1.00 0.00 C ATOM 1711 C CYS B 662 -0.326 11.319 3.891 1.00 0.00 C ATOM 1712 O CYS B 662 -1.252 11.625 3.140 1.00 0.00 O ATOM 1713 CB CYS B 662 1.247 12.585 2.370 1.00 0.00 C ATOM 1714 SG CYS B 662 0.237 12.262 0.908 1.00 0.00 S ATOM 0 H CYS B 662 1.060 9.615 2.672 1.00 0.00 H new ATOM 0 HA CYS B 662 1.671 11.923 4.347 1.00 0.00 H new ATOM 0 HB2 CYS B 662 0.972 13.559 2.775 1.00 0.00 H new ATOM 0 HB3 CYS B 662 2.291 12.650 2.065 1.00 0.00 H new ATOM 0 HG CYS B 662 -0.919 11.793 1.274 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.539 10.767 5.093 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.877 10.453 5.591 1.00 0.00 C ATOM 1722 C PRO B 663 -2.810 11.643 5.507 1.00 0.00 C ATOM 1723 O PRO B 663 -3.985 11.497 5.188 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.636 10.070 7.046 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.238 9.571 7.070 1.00 0.00 C ATOM 1726 CD PRO B 663 0.506 10.407 6.068 1.00 0.00 C ATOM 0 HA PRO B 663 -2.356 9.668 5.006 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.764 10.926 7.709 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.337 9.304 7.377 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.197 9.671 8.064 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.194 8.514 6.808 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.949 11.290 6.529 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.318 9.850 5.601 1.00 0.00 H new ATOM 1734 N GLU B 664 -2.261 12.818 5.773 1.00 0.00 N ATOM 1735 CA GLU B 664 -3.014 14.059 5.718 1.00 0.00 C ATOM 1736 C GLU B 664 -3.666 14.242 4.357 1.00 0.00 C ATOM 1737 O GLU B 664 -4.868 14.428 4.267 1.00 0.00 O ATOM 1738 CB GLU B 664 -2.085 15.228 6.023 1.00 0.00 C ATOM 1739 CG GLU B 664 -1.425 15.102 7.381 1.00 0.00 C ATOM 1740 CD GLU B 664 -0.380 16.162 7.637 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -0.744 17.350 7.750 1.00 0.00 O ATOM 1742 OE2 GLU B 664 0.809 15.804 7.753 1.00 0.00 O1- ATOM 0 H GLU B 664 -1.282 12.937 6.033 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.808 14.021 6.464 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -1.316 15.288 5.253 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -2.651 16.159 5.982 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -2.189 15.160 8.156 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -0.963 14.118 7.463 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.871 14.151 3.303 1.00 0.00 N ATOM 1750 CA ARG B 665 -3.373 14.331 1.943 1.00 0.00 C ATOM 1751 C ARG B 665 -4.273 13.170 1.516 1.00 0.00 C ATOM 1752 O ARG B 665 -5.309 13.387 0.884 1.00 0.00 O ATOM 1753 CB ARG B 665 -2.197 14.492 0.975 1.00 0.00 C ATOM 1754 CG ARG B 665 -2.587 14.508 -0.487 1.00 0.00 C ATOM 1755 CD ARG B 665 -1.377 14.748 -1.375 1.00 0.00 C ATOM 1756 NE ARG B 665 -1.707 14.695 -2.800 1.00 0.00 N ATOM 1757 CZ ARG B 665 -0.920 15.177 -3.760 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.237 15.750 -3.452 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -1.290 15.087 -5.029 1.00 0.00 N ATOM 0 H ARG B 665 -1.872 13.953 3.360 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.982 15.235 1.920 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -1.674 15.419 1.209 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.492 13.678 1.141 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -3.054 13.559 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -3.329 15.288 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.946 15.722 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.615 14.001 -1.154 1.00 0.00 H new ATOM 0 HE ARG B 665 -2.590 14.264 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG B 665 0.527 15.823 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG B 665 0.837 16.118 -4.191 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -2.178 14.648 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG B 665 -0.687 15.457 -5.764 1.00 0.00 H new ATOM 1773 N THR B 666 -3.900 11.945 1.871 1.00 0.00 N ATOM 1774 CA THR B 666 -4.702 10.784 1.506 1.00 0.00 C ATOM 1775 C THR B 666 -6.083 10.851 2.181 1.00 0.00 C ATOM 1776 O THR B 666 -7.100 10.535 1.563 1.00 0.00 O ATOM 1777 CB THR B 666 -3.973 9.462 1.857 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.619 9.531 1.385 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.660 8.246 1.225 1.00 0.00 C ATOM 0 H THR B 666 -3.057 11.732 2.405 1.00 0.00 H new ATOM 0 HA THR B 666 -4.847 10.799 0.426 1.00 0.00 H new ATOM 0 HB THR B 666 -4.001 9.341 2.940 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.091 10.095 1.988 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.118 7.340 1.496 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.685 8.177 1.589 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.666 8.355 0.140 1.00 0.00 H new ATOM 1787 N SER B 667 -6.127 11.300 3.434 1.00 0.00 N ATOM 1788 CA SER B 667 -7.391 11.492 4.127 1.00 0.00 C ATOM 1789 C SER B 667 -8.092 12.777 3.678 1.00 0.00 C ATOM 1790 O SER B 667 -9.314 12.832 3.609 1.00 0.00 O ATOM 1791 CB SER B 667 -7.163 11.514 5.635 1.00 0.00 C ATOM 1792 OG SER B 667 -6.192 12.477 6.002 1.00 0.00 O ATOM 0 H SER B 667 -5.302 11.536 3.985 1.00 0.00 H new ATOM 0 HA SER B 667 -8.041 10.655 3.873 1.00 0.00 H new ATOM 0 HB2 SER B 667 -8.103 11.733 6.142 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.842 10.527 5.969 1.00 0.00 H new ATOM 0 HG SER B 667 -5.300 12.074 5.960 1.00 0.00 H new ATOM 1798 N GLN B 668 -7.320 13.813 3.393 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.867 15.073 2.915 1.00 0.00 C ATOM 1800 C GLN B 668 -8.617 14.939 1.601 1.00 0.00 C ATOM 1801 O GLN B 668 -9.759 15.381 1.472 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.754 16.065 2.733 1.00 0.00 C ATOM 1803 CG GLN B 668 -6.619 16.998 3.905 1.00 0.00 C ATOM 1804 CD GLN B 668 -7.853 17.852 4.167 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -8.989 17.441 3.924 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -7.633 19.058 4.659 1.00 0.00 N ATOM 0 H GLN B 668 -6.304 13.806 3.485 1.00 0.00 H new ATOM 0 HA GLN B 668 -8.580 15.410 3.667 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.815 15.531 2.588 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.933 16.646 1.828 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.399 16.413 4.798 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.765 17.655 3.736 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -6.679 19.365 4.848 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -8.417 19.682 4.850 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.968 14.328 0.627 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.465 14.347 -0.738 1.00 0.00 C ATOM 1817 C LEU B 669 -9.300 13.116 -1.048 1.00 0.00 C ATOM 1818 O LEU B 669 -10.244 13.173 -1.834 1.00 0.00 O ATOM 1819 CB LEU B 669 -7.284 14.434 -1.703 1.00 0.00 C ATOM 1820 CG LEU B 669 -6.221 15.471 -1.326 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -5.109 15.501 -2.357 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.835 16.853 -1.154 1.00 0.00 C ATOM 0 H LEU B 669 -7.097 13.813 0.754 1.00 0.00 H new ATOM 0 HA LEU B 669 -9.109 15.219 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.810 13.454 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.663 14.668 -2.698 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.792 15.175 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -4.366 16.244 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.638 14.520 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.523 15.761 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -6.056 17.567 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -7.305 17.161 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -7.585 16.822 -0.364 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.941 12.004 -0.435 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.612 10.738 -0.701 1.00 0.00 C ATOM 1836 C PHE B 670 -10.497 10.344 0.469 1.00 0.00 C ATOM 1837 O PHE B 670 -11.255 9.374 0.391 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.571 9.651 -0.965 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.467 10.102 -1.879 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.748 10.662 -3.115 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.148 9.969 -1.494 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.728 11.081 -3.946 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.124 10.382 -2.320 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.414 10.940 -3.547 1.00 0.00 C ATOM 0 H PHE B 670 -8.189 11.948 0.251 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.243 10.853 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -8.141 9.330 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.064 8.782 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.775 10.772 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.915 9.536 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.958 11.518 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.097 10.269 -2.006 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.614 11.266 -4.195 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.386 11.116 1.550 1.00 0.00 N ATOM 1855 CA ASP B 671 -11.114 10.860 2.792 1.00 0.00 C ATOM 1856 C ASP B 671 -10.691 9.542 3.420 1.00 0.00 C ATOM 1857 O ASP B 671 -11.339 9.042 4.339 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.629 10.893 2.570 1.00 0.00 C ATOM 1859 CG ASP B 671 -13.181 12.302 2.523 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -13.021 12.981 1.490 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.783 12.741 3.524 1.00 0.00 O ATOM 0 H ASP B 671 -9.786 11.940 1.589 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.860 11.661 3.486 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.867 10.383 1.637 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -13.122 10.340 3.370 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.579 9.002 2.948 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.097 7.718 3.418 1.00 0.00 C ATOM 1868 C LEU B 672 -8.019 7.902 4.484 1.00 0.00 C ATOM 1869 O LEU B 672 -6.928 8.392 4.193 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.555 6.895 2.246 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.005 5.525 2.639 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.121 4.652 3.181 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.320 4.850 1.459 1.00 0.00 C ATOM 0 H LEU B 672 -8.992 9.437 2.236 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.932 7.180 3.867 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.352 6.757 1.515 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.765 7.463 1.754 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.258 5.666 3.420 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.719 3.678 3.458 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.560 5.126 4.059 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.887 4.524 2.416 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -6.938 3.877 1.768 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.037 4.718 0.649 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.493 5.471 1.114 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.310 7.508 5.734 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.369 7.661 6.840 1.00 0.00 C ATOM 1887 C PRO B 673 -6.222 6.659 6.754 1.00 0.00 C ATOM 1888 O PRO B 673 -6.421 5.485 6.430 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.225 7.414 8.080 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.354 6.560 7.616 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.566 6.864 6.156 1.00 0.00 C ATOM 0 HA PRO B 673 -6.889 8.640 6.842 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.651 6.916 8.861 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.588 8.352 8.500 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.124 5.504 7.760 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.257 6.770 8.189 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.760 5.956 5.584 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.421 7.523 6.007 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.025 7.132 7.052 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.815 6.343 6.879 1.00 0.00 C ATOM 1901 C CYS B 674 -2.828 6.624 7.999 1.00 0.00 C ATOM 1902 O CYS B 674 -2.868 7.680 8.629 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.187 6.680 5.523 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.892 8.154 4.752 1.00 0.00 S ATOM 0 H CYS B 674 -4.863 8.070 7.419 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.070 5.284 6.911 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.115 6.825 5.654 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -3.314 5.831 4.851 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.177 8.005 4.626 1.00 0.00 H new ATOM 1910 N SER B 675 -1.970 5.658 8.264 1.00 0.00 N ATOM 1911 CA SER B 675 -0.889 5.834 9.212 1.00 0.00 C ATOM 1912 C SER B 675 0.318 6.404 8.478 1.00 0.00 C ATOM 1913 O SER B 675 0.456 6.210 7.275 1.00 0.00 O ATOM 1914 CB SER B 675 -0.549 4.489 9.851 1.00 0.00 C ATOM 1915 OG SER B 675 -1.732 3.799 10.238 1.00 0.00 O ATOM 0 H SER B 675 -2.002 4.735 7.831 1.00 0.00 H new ATOM 0 HA SER B 675 -1.185 6.525 10.002 1.00 0.00 H new ATOM 0 HB2 SER B 675 0.019 3.880 9.147 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.087 4.646 10.722 1.00 0.00 H new ATOM 0 HG SER B 675 -2.157 3.408 9.446 1.00 0.00 H new ATOM 1921 N LYS B 676 1.171 7.128 9.174 1.00 0.00 N ATOM 1922 CA LYS B 676 2.334 7.723 8.534 1.00 0.00 C ATOM 1923 C LYS B 676 3.385 6.664 8.235 1.00 0.00 C ATOM 1924 O LYS B 676 4.031 6.139 9.143 1.00 0.00 O ATOM 1925 CB LYS B 676 2.926 8.836 9.402 1.00 0.00 C ATOM 1926 CG LYS B 676 4.173 9.479 8.809 1.00 0.00 C ATOM 1927 CD LYS B 676 3.941 9.943 7.378 1.00 0.00 C ATOM 1928 CE LYS B 676 5.163 10.650 6.810 1.00 0.00 C ATOM 1929 NZ LYS B 676 6.379 9.793 6.854 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.086 7.319 10.172 1.00 0.00 H new ATOM 0 HA LYS B 676 2.010 8.163 7.591 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.170 9.606 9.556 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.170 8.428 10.383 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.471 10.329 9.423 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.996 8.765 8.831 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.694 9.085 6.753 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.084 10.616 7.348 1.00 0.00 H new ATOM 0 HE2 LYS B 676 4.964 10.943 5.779 1.00 0.00 H new ATOM 0 HE3 LYS B 676 5.345 11.566 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.953 9.960 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 6.938 10.026 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.097 8.793 6.891 1.00 0.00 H new ATOM 1943 N LEU B 677 3.534 6.342 6.955 1.00 0.00 N ATOM 1944 CA LEU B 677 4.554 5.398 6.526 1.00 0.00 C ATOM 1945 C LEU B 677 5.933 5.994 6.745 1.00 0.00 C ATOM 1946 O LEU B 677 6.183 7.145 6.378 1.00 0.00 O ATOM 1947 CB LEU B 677 4.387 5.030 5.060 1.00 0.00 C ATOM 1948 CG LEU B 677 5.449 4.064 4.543 1.00 0.00 C ATOM 1949 CD1 LEU B 677 5.201 2.661 5.064 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.485 4.073 3.039 1.00 0.00 C ATOM 0 H LEU B 677 2.962 6.721 6.200 1.00 0.00 H new ATOM 0 HA LEU B 677 4.444 4.491 7.121 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.403 4.584 4.917 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.415 5.940 4.461 1.00 0.00 H new ATOM 0 HG LEU B 677 6.420 4.396 4.912 1.00 0.00 H new ATOM 0 HD11 LEU B 677 5.970 1.990 4.682 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.232 2.667 6.154 1.00 0.00 H new ATOM 0 HD13 LEU B 677 4.222 2.317 4.731 1.00 0.00 H new ATOM 0 HD21 LEU B 677 6.248 3.378 2.689 1.00 0.00 H new ATOM 0 HD22 LEU B 677 4.513 3.770 2.650 1.00 0.00 H new ATOM 0 HD23 LEU B 677 5.720 5.077 2.687 1.00 0.00 H new ATOM 1962 N SER B 678 6.815 5.215 7.339 1.00 0.00 N ATOM 1963 CA SER B 678 8.143 5.694 7.689 1.00 0.00 C ATOM 1964 C SER B 678 9.163 4.563 7.635 1.00 0.00 C ATOM 1965 O SER B 678 8.816 3.419 7.342 1.00 0.00 O ATOM 1966 CB SER B 678 8.122 6.311 9.088 1.00 0.00 C ATOM 1967 OG SER B 678 7.174 7.365 9.178 1.00 0.00 O ATOM 0 H SER B 678 6.638 4.243 7.591 1.00 0.00 H new ATOM 0 HA SER B 678 8.435 6.453 6.963 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.883 5.542 9.822 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.114 6.690 9.334 1.00 0.00 H new ATOM 0 HG SER B 678 7.184 7.737 10.085 1.00 0.00 H new ATOM 1973 N VAL B 679 10.421 4.890 7.918 1.00 0.00 N ATOM 1974 CA VAL B 679 11.493 3.907 7.908 1.00 0.00 C ATOM 1975 C VAL B 679 11.225 2.810 8.934 1.00 0.00 C ATOM 1976 O VAL B 679 10.851 3.087 10.077 1.00 0.00 O ATOM 1977 CB VAL B 679 12.861 4.568 8.190 1.00 0.00 C ATOM 1978 CG1 VAL B 679 13.976 3.536 8.173 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.140 5.668 7.174 1.00 0.00 C ATOM 0 H VAL B 679 10.721 5.835 8.158 1.00 0.00 H new ATOM 0 HA VAL B 679 11.525 3.463 6.913 1.00 0.00 H new ATOM 0 HB VAL B 679 12.824 5.013 9.185 1.00 0.00 H new ATOM 0 HG11 VAL B 679 14.929 4.026 8.374 1.00 0.00 H new ATOM 0 HG12 VAL B 679 13.787 2.783 8.938 1.00 0.00 H new ATOM 0 HG13 VAL B 679 14.014 3.057 7.195 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.107 6.123 7.387 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.152 5.242 6.171 1.00 0.00 H new ATOM 0 HG23 VAL B 679 12.360 6.427 7.236 1.00 0.00 H new ATOM 1989 N GLY B 680 11.411 1.569 8.516 1.00 0.00 N ATOM 1990 CA GLY B 680 11.112 0.437 9.374 1.00 0.00 C ATOM 1991 C GLY B 680 9.833 -0.265 8.981 1.00 0.00 C ATOM 1992 O GLY B 680 9.571 -1.386 9.420 1.00 0.00 O ATOM 0 H GLY B 680 11.766 1.321 7.592 1.00 0.00 H new ATOM 0 HA2 GLY B 680 11.939 -0.272 9.335 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.033 0.778 10.406 1.00 0.00 H new ATOM 1996 N ASP B 681 9.031 0.384 8.151 1.00 0.00 N ATOM 1997 CA ASP B 681 7.758 -0.190 7.743 1.00 0.00 C ATOM 1998 C ASP B 681 7.913 -0.991 6.465 1.00 0.00 C ATOM 1999 O ASP B 681 7.934 -0.441 5.368 1.00 0.00 O ATOM 2000 CB ASP B 681 6.693 0.883 7.532 1.00 0.00 C ATOM 2001 CG ASP B 681 6.293 1.595 8.808 1.00 0.00 C ATOM 2002 OD1 ASP B 681 6.188 0.928 9.859 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.072 2.826 8.768 1.00 0.00 O ATOM 0 H ASP B 681 9.236 1.299 7.750 1.00 0.00 H new ATOM 0 HA ASP B 681 7.436 -0.847 8.551 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.064 1.617 6.817 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.809 0.424 7.089 1.00 0.00 H new ATOM 2008 N VAL B 682 8.000 -2.295 6.604 1.00 0.00 N ATOM 2009 CA VAL B 682 8.146 -3.155 5.453 1.00 0.00 C ATOM 2010 C VAL B 682 6.859 -3.192 4.638 1.00 0.00 C ATOM 2011 O VAL B 682 5.824 -3.668 5.094 1.00 0.00 O ATOM 2012 CB VAL B 682 8.638 -4.576 5.848 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.370 -4.880 7.303 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.046 -5.656 4.959 1.00 0.00 C ATOM 0 H VAL B 682 7.972 -2.781 7.500 1.00 0.00 H new ATOM 0 HA VAL B 682 8.923 -2.732 4.816 1.00 0.00 H new ATOM 0 HB VAL B 682 9.717 -4.578 5.697 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.729 -5.882 7.537 1.00 0.00 H new ATOM 0 HG12 VAL B 682 8.889 -4.153 7.928 1.00 0.00 H new ATOM 0 HG13 VAL B 682 7.298 -4.824 7.495 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.419 -6.631 5.273 1.00 0.00 H new ATOM 0 HG22 VAL B 682 6.959 -5.639 5.041 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.335 -5.474 3.924 1.00 0.00 H new ATOM 2024 N CYS B 683 6.941 -2.628 3.439 1.00 0.00 N ATOM 2025 CA CYS B 683 5.792 -2.493 2.562 1.00 0.00 C ATOM 2026 C CYS B 683 5.353 -3.837 2.033 1.00 0.00 C ATOM 2027 O CYS B 683 6.169 -4.734 1.801 1.00 0.00 O ATOM 2028 CB CYS B 683 6.117 -1.576 1.379 1.00 0.00 C ATOM 2029 SG CYS B 683 4.780 -1.382 0.179 1.00 0.00 S ATOM 0 H CYS B 683 7.806 -2.253 3.051 1.00 0.00 H new ATOM 0 HA CYS B 683 4.984 -2.057 3.150 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.386 -0.592 1.764 1.00 0.00 H new ATOM 0 HB3 CYS B 683 6.994 -1.968 0.864 1.00 0.00 H new ATOM 0 HG CYS B 683 5.165 -0.586 -0.774 1.00 0.00 H new ATOM 2035 N ILE B 684 4.060 -3.965 1.857 1.00 0.00 N ATOM 2036 CA ILE B 684 3.496 -5.108 1.191 1.00 0.00 C ATOM 2037 C ILE B 684 3.597 -4.912 -0.314 1.00 0.00 C ATOM 2038 O ILE B 684 2.906 -4.060 -0.871 1.00 0.00 O ATOM 2039 CB ILE B 684 2.009 -5.292 1.557 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.868 -5.790 2.985 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.311 -6.244 0.593 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.433 -5.836 3.456 1.00 0.00 C ATOM 0 H ILE B 684 3.373 -3.280 2.172 1.00 0.00 H new ATOM 0 HA ILE B 684 4.051 -5.991 1.508 1.00 0.00 H new ATOM 0 HB ILE B 684 1.526 -4.318 1.475 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.301 -6.787 3.060 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.442 -5.142 3.648 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.265 -6.351 0.880 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.370 -5.845 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.798 -7.219 0.628 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.399 -6.200 4.483 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.003 -4.835 3.411 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.139 -6.506 2.814 1.00 0.00 H new ATOM 2054 N SER B 685 4.475 -5.638 -0.973 1.00 0.00 N ATOM 2055 CA SER B 685 4.422 -5.672 -2.416 1.00 0.00 C ATOM 2056 C SER B 685 3.520 -6.818 -2.808 1.00 0.00 C ATOM 2057 O SER B 685 3.797 -7.973 -2.489 1.00 0.00 O ATOM 2058 CB SER B 685 5.810 -5.847 -3.035 1.00 0.00 C ATOM 2059 OG SER B 685 5.767 -5.696 -4.443 1.00 0.00 O ATOM 0 H SER B 685 5.214 -6.197 -0.547 1.00 0.00 H new ATOM 0 HA SER B 685 4.035 -4.724 -2.790 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.496 -5.115 -2.609 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.201 -6.833 -2.784 1.00 0.00 H new ATOM 0 HG SER B 685 6.055 -4.791 -4.684 1.00 0.00 H new ATOM 2065 N LEU B 686 2.425 -6.503 -3.462 1.00 0.00 N ATOM 2066 CA LEU B 686 1.505 -7.524 -3.879 1.00 0.00 C ATOM 2067 C LEU B 686 1.638 -7.734 -5.371 1.00 0.00 C ATOM 2068 O LEU B 686 1.392 -6.815 -6.157 1.00 0.00 O ATOM 2069 CB LEU B 686 0.083 -7.099 -3.530 1.00 0.00 C ATOM 2070 CG LEU B 686 -0.849 -8.217 -3.084 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -0.938 -9.313 -4.126 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.403 -8.787 -1.754 1.00 0.00 C ATOM 0 H LEU B 686 2.155 -5.552 -3.713 1.00 0.00 H new ATOM 0 HA LEU B 686 1.729 -8.459 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.131 -6.353 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.355 -6.611 -4.401 1.00 0.00 H new ATOM 0 HG LEU B 686 -1.844 -7.788 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.612 -10.095 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.319 -8.898 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU B 686 0.052 -9.736 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.083 -9.584 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.606 -9.187 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.411 -8.000 -1.000 1.00 0.00 H new ATOM 2084 N THR B 687 2.004 -8.934 -5.764 1.00 0.00 N ATOM 2085 CA THR B 687 2.153 -9.239 -7.168 1.00 0.00 C ATOM 2086 C THR B 687 0.908 -9.967 -7.662 1.00 0.00 C ATOM 2087 O THR B 687 0.437 -10.924 -7.038 1.00 0.00 O ATOM 2088 CB THR B 687 3.438 -10.059 -7.435 1.00 0.00 C ATOM 2089 OG1 THR B 687 3.666 -10.200 -8.841 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.367 -11.432 -6.793 1.00 0.00 C ATOM 0 H THR B 687 2.203 -9.711 -5.134 1.00 0.00 H new ATOM 0 HA THR B 687 2.258 -8.307 -7.724 1.00 0.00 H new ATOM 0 HB THR B 687 4.268 -9.512 -6.988 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.484 -10.720 -8.989 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.286 -11.979 -7.002 1.00 0.00 H new ATOM 0 HG22 THR B 687 3.246 -11.324 -5.715 1.00 0.00 H new ATOM 0 HG23 THR B 687 2.518 -11.981 -7.200 1.00 0.00 H new ATOM 2098 N LEU B 688 0.342 -9.471 -8.749 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.901 -10.011 -9.266 1.00 0.00 C ATOM 2100 C LEU B 688 -0.661 -10.726 -10.585 1.00 0.00 C ATOM 2101 O LEU B 688 -0.549 -10.092 -11.637 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.932 -8.892 -9.453 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.174 -8.005 -8.226 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -3.180 -6.923 -8.543 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.661 -8.823 -7.047 1.00 0.00 C ATOM 0 H LEU B 688 0.724 -8.695 -9.290 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.291 -10.730 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.609 -8.259 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.880 -9.341 -9.748 1.00 0.00 H new ATOM 0 HG LEU B 688 -1.223 -7.544 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -3.339 -6.304 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -2.804 -6.304 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -4.124 -7.380 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -2.824 -8.167 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -3.597 -9.317 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.913 -9.574 -6.791 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.564 -12.044 -10.519 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.386 -12.853 -11.707 1.00 0.00 C ATOM 2119 C LYS B 689 -1.668 -12.880 -12.530 1.00 0.00 C ATOM 2120 O LYS B 689 -1.747 -12.144 -13.538 1.00 0.00 O ATOM 2121 CB LYS B 689 0.034 -14.264 -11.324 1.00 0.00 C ATOM 2122 CG LYS B 689 1.463 -14.349 -10.812 1.00 0.00 C ATOM 2123 CD LYS B 689 2.489 -14.139 -11.922 1.00 0.00 C ATOM 2124 CE LYS B 689 2.728 -15.405 -12.742 1.00 0.00 C ATOM 2125 NZ LYS B 689 1.515 -15.859 -13.473 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -2.609 -13.601 -12.144 1.00 0.00 O ATOM 0 H LYS B 689 -0.606 -12.575 -9.649 1.00 0.00 H new ATOM 0 HA LYS B 689 0.402 -12.410 -12.316 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.642 -14.641 -10.557 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.073 -14.915 -12.191 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.613 -13.600 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.624 -15.323 -10.351 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.148 -13.341 -12.582 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.431 -13.810 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS B 689 3.530 -15.222 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS B 689 3.067 -16.202 -12.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 1.786 -16.553 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 0.851 -16.299 -12.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 1.058 -15.043 -13.928 1.00 0.00 H new