USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=30 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 660 SER OG : rot 161:sc= -2.21! USER MOD Set 1.2: B 666 THR OG1 : rot -80:sc= 0.576 USER MOD Set 1.3: B 667 SER OG : rot -8:sc= 0.719 USER MOD Set 1.4: B 674 CYS SG : rot -66:sc= -7.95! USER MOD Set 2.1: B 622 SER OG : rot 157:sc= 1.27 USER MOD Set 2.2: B 624 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.76) USER MOD Single : A 39 SER OG : rot -145:sc= -0.783! USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -169:sc= -0.277 (180deg=-0.581) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 89:sc= 0.913 USER MOD Single : B 582 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 585 ASN : amide:sc= -2.31! C(o=-2.3!,f=-13!) USER MOD Single : B 589 LYS NZ :NH3+ -174:sc= -2.66! (180deg=-2.9!) USER MOD Single : B 590 LYS NZ :NH3+ 147:sc= -1.12 (180deg=-2.81!) USER MOD Single : B 595 LYS NZ :NH3+ 179:sc= 0.248 (180deg=0.244) USER MOD Single : B 596 THR OG1 : rot -130:sc= -2.32! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 602 SER OG : rot 108:sc= 0.721 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 43:sc= 0.382 USER MOD Single : B 615 THR OG1 : rot 180:sc= 0 USER MOD Single : B 623 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=-0.045) USER MOD Single : B 631 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : B 637 HIS : no HD1:sc=-9.53e-05 X(o=-9.5e-05,f=-0.0058) USER MOD Single : B 640 GLN : amide:sc= -0.792 X(o=-0.79,f=-0.33) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -10.4! C(o=-19!,f=-10!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.474 USER MOD Single : B 661 CYS SG : rot 94:sc= -0.433 USER MOD Single : B 662 CYS SG : rot 180:sc= -1.42! USER MOD Single : B 668 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0351) USER MOD Single : B 678 SER OG : rot 180:sc= -1.04 USER MOD Single : B 683 CYS SG : rot 145:sc= -1.34! USER MOD Single : B 685 SER OG : rot -50:sc= 0.458 USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -14.569 -3.352 -5.538 1.00 0.00 N ATOM 20 CA PHE A 35 -13.363 -3.254 -6.338 1.00 0.00 C ATOM 21 C PHE A 35 -12.384 -4.318 -5.868 1.00 0.00 C ATOM 22 O PHE A 35 -12.314 -4.601 -4.667 1.00 0.00 O ATOM 23 CB PHE A 35 -12.738 -1.856 -6.209 1.00 0.00 C ATOM 24 CG PHE A 35 -13.452 -0.795 -7.006 1.00 0.00 C ATOM 25 CD1 PHE A 35 -14.836 -0.752 -7.038 1.00 0.00 C ATOM 26 CD2 PHE A 35 -12.742 0.141 -7.741 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.498 0.203 -7.777 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.404 1.096 -8.490 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.782 1.128 -8.507 1.00 0.00 C ATOM 0 HA PHE A 35 -13.607 -3.412 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.733 -1.566 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.698 -1.902 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.404 -1.478 -6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.662 0.124 -7.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.578 0.227 -7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.841 1.818 -9.063 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.299 1.875 -9.090 1.00 0.00 H new ATOM 39 N PRO A 36 -11.657 -4.955 -6.805 1.00 0.00 N ATOM 40 CA PRO A 36 -10.625 -5.940 -6.466 1.00 0.00 C ATOM 41 C PRO A 36 -9.666 -5.373 -5.437 1.00 0.00 C ATOM 42 O PRO A 36 -9.194 -4.244 -5.582 1.00 0.00 O ATOM 43 CB PRO A 36 -9.912 -6.180 -7.798 1.00 0.00 C ATOM 44 CG PRO A 36 -10.933 -5.863 -8.834 1.00 0.00 C ATOM 45 CD PRO A 36 -11.780 -4.761 -8.261 1.00 0.00 C ATOM 0 HA PRO A 36 -11.031 -6.853 -6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.034 -5.542 -7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.568 -7.211 -7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.460 -5.547 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.538 -6.739 -9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.421 -3.778 -8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.816 -4.838 -8.590 1.00 0.00 H new ATOM 53 N TRP A 37 -9.393 -6.158 -4.394 1.00 0.00 N ATOM 54 CA TRP A 37 -8.714 -5.654 -3.211 1.00 0.00 C ATOM 55 C TRP A 37 -7.401 -4.928 -3.519 1.00 0.00 C ATOM 56 O TRP A 37 -6.994 -4.043 -2.764 1.00 0.00 O ATOM 57 CB TRP A 37 -8.505 -6.758 -2.174 1.00 0.00 C ATOM 58 CG TRP A 37 -7.851 -8.008 -2.675 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.428 -9.007 -3.409 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.507 -8.417 -2.432 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.523 -10.006 -3.636 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.337 -9.667 -3.048 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.427 -7.847 -1.758 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.139 -10.357 -3.001 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.232 -8.535 -1.720 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.101 -9.781 -2.337 1.00 0.00 C ATOM 0 H TRP A 37 -9.635 -7.148 -4.350 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.380 -4.903 -2.786 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.902 -6.356 -1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.475 -7.022 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.450 -9.007 -3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.703 -10.863 -4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.524 -6.886 -1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.031 -11.321 -3.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.386 -8.104 -1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.155 -10.299 -2.286 1.00 0.00 H new ATOM 77 N HIS A 38 -6.736 -5.286 -4.615 1.00 0.00 N ATOM 78 CA HIS A 38 -5.617 -4.488 -5.095 1.00 0.00 C ATOM 79 C HIS A 38 -6.155 -3.215 -5.748 1.00 0.00 C ATOM 80 O HIS A 38 -6.216 -3.099 -6.969 1.00 0.00 O ATOM 81 CB HIS A 38 -4.756 -5.277 -6.087 1.00 0.00 C ATOM 82 CG HIS A 38 -3.583 -4.504 -6.630 1.00 0.00 C ATOM 83 ND1 HIS A 38 -3.593 -3.888 -7.860 1.00 0.00 N ATOM 84 CD2 HIS A 38 -2.365 -4.252 -6.099 1.00 0.00 C ATOM 85 CE1 HIS A 38 -2.436 -3.287 -8.060 1.00 0.00 C ATOM 86 NE2 HIS A 38 -1.670 -3.488 -7.004 1.00 0.00 N ATOM 0 H HIS A 38 -6.949 -6.110 -5.178 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.982 -4.226 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.388 -6.178 -5.596 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.382 -5.600 -6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.005 -4.590 -5.139 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.161 -2.725 -8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.721 -3.135 -6.881 1.00 0.00 H new ATOM 95 N SER A 39 -6.574 -2.282 -4.916 1.00 0.00 N ATOM 96 CA SER A 39 -7.156 -1.036 -5.384 1.00 0.00 C ATOM 97 C SER A 39 -6.502 0.145 -4.665 1.00 0.00 C ATOM 98 O SER A 39 -6.648 1.306 -5.055 1.00 0.00 O ATOM 99 CB SER A 39 -8.669 -1.084 -5.127 1.00 0.00 C ATOM 100 OG SER A 39 -9.303 0.134 -5.455 1.00 0.00 O ATOM 0 H SER A 39 -6.522 -2.364 -3.901 1.00 0.00 H new ATOM 0 HA SER A 39 -6.981 -0.906 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.110 -1.891 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.851 -1.315 -4.077 1.00 0.00 H new ATOM 0 HG SER A 39 -10.037 0.300 -4.827 1.00 0.00 H new ATOM 106 N LEU A 40 -5.737 -0.181 -3.636 1.00 0.00 N ATOM 107 CA LEU A 40 -5.156 0.811 -2.744 1.00 0.00 C ATOM 108 C LEU A 40 -3.659 0.571 -2.593 1.00 0.00 C ATOM 109 O LEU A 40 -2.864 1.504 -2.687 1.00 0.00 O ATOM 110 CB LEU A 40 -5.832 0.735 -1.369 1.00 0.00 C ATOM 111 CG LEU A 40 -6.835 -0.415 -1.198 1.00 0.00 C ATOM 112 CD1 LEU A 40 -6.987 -0.784 0.261 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.193 -0.036 -1.769 1.00 0.00 C ATOM 0 H LEU A 40 -5.500 -1.143 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.315 1.802 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.059 0.639 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.348 1.677 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.447 -1.275 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.702 -1.601 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.022 -1.098 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.346 0.080 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.888 -0.866 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.574 0.843 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.092 0.187 -2.831 1.00 0.00 H new ATOM 125 N VAL A 41 -3.290 -0.693 -2.390 1.00 0.00 N ATOM 126 CA VAL A 41 -1.913 -1.073 -2.137 1.00 0.00 C ATOM 127 C VAL A 41 -1.017 -0.820 -3.358 1.00 0.00 C ATOM 128 O VAL A 41 -1.223 -1.396 -4.429 1.00 0.00 O ATOM 129 CB VAL A 41 -1.837 -2.560 -1.705 1.00 0.00 C ATOM 130 CG1 VAL A 41 -2.424 -3.493 -2.762 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.409 -2.944 -1.389 1.00 0.00 C ATOM 0 H VAL A 41 -3.942 -1.478 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.541 -0.448 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.441 -2.671 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.350 -4.525 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.471 -3.240 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.870 -3.381 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.372 -3.991 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.211 -2.799 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.035 -2.319 -0.578 1.00 0.00 H new ATOM 141 N PRO A 42 -0.021 0.068 -3.220 1.00 0.00 N ATOM 142 CA PRO A 42 0.928 0.357 -4.288 1.00 0.00 C ATOM 143 C PRO A 42 1.924 -0.777 -4.462 1.00 0.00 C ATOM 144 O PRO A 42 2.461 -1.304 -3.485 1.00 0.00 O ATOM 145 CB PRO A 42 1.648 1.632 -3.820 1.00 0.00 C ATOM 146 CG PRO A 42 0.914 2.086 -2.601 1.00 0.00 C ATOM 147 CD PRO A 42 0.269 0.861 -2.026 1.00 0.00 C ATOM 0 HA PRO A 42 0.434 0.477 -5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.695 1.430 -3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.631 2.398 -4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.595 2.542 -1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.167 2.838 -2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.934 0.335 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.636 1.102 -1.469 1.00 0.00 H new ATOM 155 N PHE A 43 2.165 -1.155 -5.701 1.00 0.00 N ATOM 156 CA PHE A 43 3.072 -2.245 -5.987 1.00 0.00 C ATOM 157 C PHE A 43 4.516 -1.760 -5.938 1.00 0.00 C ATOM 158 O PHE A 43 4.951 -0.985 -6.797 1.00 0.00 O ATOM 159 CB PHE A 43 2.755 -2.859 -7.354 1.00 0.00 C ATOM 160 CG PHE A 43 3.635 -4.023 -7.718 1.00 0.00 C ATOM 161 CD1 PHE A 43 3.734 -5.125 -6.883 1.00 0.00 C ATOM 162 CD2 PHE A 43 4.363 -4.013 -8.895 1.00 0.00 C ATOM 163 CE1 PHE A 43 4.542 -6.193 -7.216 1.00 0.00 C ATOM 164 CE2 PHE A 43 5.172 -5.080 -9.235 1.00 0.00 C ATOM 165 CZ PHE A 43 5.262 -6.172 -8.394 1.00 0.00 C ATOM 0 H PHE A 43 1.745 -0.723 -6.524 1.00 0.00 H new ATOM 0 HA PHE A 43 2.942 -3.015 -5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.715 -3.186 -7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.853 -2.089 -8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.172 -5.148 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.298 -3.161 -9.555 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.611 -7.045 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.733 -5.060 -10.157 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.894 -7.007 -8.657 1.00 0.00 H new ATOM 300 N LEU B 571 -18.118 9.284 -1.838 1.00 0.00 N ATOM 301 CA LEU B 571 -16.727 9.248 -2.258 1.00 0.00 C ATOM 302 C LEU B 571 -16.509 8.145 -3.285 1.00 0.00 C ATOM 303 O LEU B 571 -17.196 7.121 -3.248 1.00 0.00 O ATOM 304 CB LEU B 571 -15.833 9.025 -1.042 1.00 0.00 C ATOM 305 CG LEU B 571 -15.709 10.217 -0.111 1.00 0.00 C ATOM 306 CD1 LEU B 571 -15.142 9.792 1.230 1.00 0.00 C ATOM 307 CD2 LEU B 571 -14.825 11.257 -0.753 1.00 0.00 C ATOM 0 HA LEU B 571 -16.470 10.201 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -16.221 8.179 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.837 8.748 -1.388 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.698 10.641 0.064 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -15.061 10.661 1.883 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -15.802 9.055 1.687 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -14.154 9.354 1.085 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -14.732 12.116 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.838 10.832 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -15.265 11.575 -1.698 1.00 0.00 H new ATOM 319 N PRO B 572 -15.565 8.352 -4.227 1.00 0.00 N ATOM 320 CA PRO B 572 -15.249 7.371 -5.272 1.00 0.00 C ATOM 321 C PRO B 572 -15.000 5.972 -4.705 1.00 0.00 C ATOM 322 O PRO B 572 -14.331 5.811 -3.691 1.00 0.00 O ATOM 323 CB PRO B 572 -13.985 7.931 -5.921 1.00 0.00 C ATOM 324 CG PRO B 572 -14.056 9.398 -5.681 1.00 0.00 C ATOM 325 CD PRO B 572 -14.738 9.568 -4.350 1.00 0.00 C ATOM 0 HA PRO B 572 -16.074 7.243 -5.972 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.088 7.500 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.954 7.705 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.060 9.840 -5.668 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.616 9.896 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.016 9.646 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.347 10.472 -4.324 1.00 0.00 H new ATOM 333 N PRO B 573 -15.529 4.950 -5.385 1.00 0.00 N ATOM 334 CA PRO B 573 -15.581 3.570 -4.885 1.00 0.00 C ATOM 335 C PRO B 573 -14.278 2.797 -5.053 1.00 0.00 C ATOM 336 O PRO B 573 -14.206 1.618 -4.711 1.00 0.00 O ATOM 337 CB PRO B 573 -16.660 2.955 -5.755 1.00 0.00 C ATOM 338 CG PRO B 573 -16.479 3.639 -7.056 1.00 0.00 C ATOM 339 CD PRO B 573 -16.106 5.054 -6.731 1.00 0.00 C ATOM 0 HA PRO B 573 -15.768 3.542 -3.812 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.536 1.876 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.655 3.128 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.700 3.156 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.394 3.603 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.388 5.455 -7.446 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -16.974 5.713 -6.747 1.00 0.00 H new ATOM 347 N TYR B 574 -13.274 3.440 -5.623 1.00 0.00 N ATOM 348 CA TYR B 574 -11.978 2.787 -5.817 1.00 0.00 C ATOM 349 C TYR B 574 -11.319 2.413 -4.494 1.00 0.00 C ATOM 350 O TYR B 574 -11.436 1.279 -4.027 1.00 0.00 O ATOM 351 CB TYR B 574 -11.021 3.651 -6.633 1.00 0.00 C ATOM 352 CG TYR B 574 -10.494 2.975 -7.880 1.00 0.00 C ATOM 353 CD1 TYR B 574 -9.624 1.899 -7.783 1.00 0.00 C ATOM 354 CD2 TYR B 574 -10.859 3.409 -9.147 1.00 0.00 C ATOM 355 CE1 TYR B 574 -9.132 1.270 -8.908 1.00 0.00 C ATOM 356 CE2 TYR B 574 -10.371 2.784 -10.282 1.00 0.00 C ATOM 357 CZ TYR B 574 -9.507 1.715 -10.156 1.00 0.00 C ATOM 358 OH TYR B 574 -9.018 1.091 -11.282 1.00 0.00 O ATOM 0 H TYR B 574 -13.323 4.402 -5.958 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.186 1.872 -6.372 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.532 4.571 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.179 3.937 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -9.326 1.546 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -11.533 4.246 -9.249 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.456 0.433 -8.810 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -10.665 3.131 -11.261 1.00 0.00 H new ATOM 0 HH TYR B 574 -9.381 1.527 -12.081 1.00 0.00 H new ATOM 368 N PHE B 575 -10.608 3.356 -3.905 1.00 0.00 N ATOM 369 CA PHE B 575 -9.916 3.106 -2.657 1.00 0.00 C ATOM 370 C PHE B 575 -10.264 4.189 -1.654 1.00 0.00 C ATOM 371 O PHE B 575 -9.760 4.207 -0.533 1.00 0.00 O ATOM 372 CB PHE B 575 -8.401 3.062 -2.888 1.00 0.00 C ATOM 373 CG PHE B 575 -7.771 4.407 -3.092 1.00 0.00 C ATOM 374 CD1 PHE B 575 -7.811 5.033 -4.325 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.146 5.049 -2.036 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.242 6.278 -4.498 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.574 6.288 -2.204 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.624 6.904 -3.435 1.00 0.00 C ATOM 0 H PHE B 575 -10.495 4.301 -4.271 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.232 2.140 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -7.928 2.578 -2.033 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.196 2.441 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -8.292 4.543 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -7.107 4.571 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -7.280 6.761 -5.463 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -6.087 6.777 -1.373 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.179 7.879 -3.568 1.00 0.00 H new ATOM 388 N MET B 576 -11.126 5.097 -2.077 1.00 0.00 N ATOM 389 CA MET B 576 -11.521 6.220 -1.239 1.00 0.00 C ATOM 390 C MET B 576 -12.355 5.732 -0.057 1.00 0.00 C ATOM 391 O MET B 576 -12.851 4.604 -0.057 1.00 0.00 O ATOM 392 CB MET B 576 -12.298 7.249 -2.058 1.00 0.00 C ATOM 393 CG MET B 576 -11.511 7.843 -3.221 1.00 0.00 C ATOM 394 SD MET B 576 -11.124 6.648 -4.521 1.00 0.00 S ATOM 395 CE MET B 576 -10.291 7.698 -5.710 1.00 0.00 C ATOM 0 H MET B 576 -11.567 5.080 -2.996 1.00 0.00 H new ATOM 0 HA MET B 576 -10.622 6.699 -0.852 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.202 6.780 -2.447 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.616 8.057 -1.399 1.00 0.00 H new ATOM 0 HG2 MET B 576 -12.082 8.664 -3.653 1.00 0.00 H new ATOM 0 HG3 MET B 576 -10.582 8.267 -2.841 1.00 0.00 H new ATOM 0 HE1 MET B 576 -10.164 7.157 -6.648 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.888 8.593 -5.886 1.00 0.00 H new ATOM 0 HE3 MET B 576 -9.314 7.984 -5.321 1.00 0.00 H new ATOM 405 N LYS B 577 -12.506 6.584 0.948 1.00 0.00 N ATOM 406 CA LYS B 577 -13.167 6.199 2.190 1.00 0.00 C ATOM 407 C LYS B 577 -14.606 5.744 1.953 1.00 0.00 C ATOM 408 O LYS B 577 -15.438 6.502 1.458 1.00 0.00 O ATOM 409 CB LYS B 577 -13.157 7.366 3.179 1.00 0.00 C ATOM 410 CG LYS B 577 -13.680 6.998 4.559 1.00 0.00 C ATOM 411 CD LYS B 577 -13.723 8.202 5.487 1.00 0.00 C ATOM 412 CE LYS B 577 -14.246 7.823 6.864 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.203 8.967 7.812 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.179 7.550 0.928 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.611 5.358 2.605 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.138 7.742 3.274 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.761 8.179 2.775 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.680 6.574 4.467 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.045 6.226 4.994 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -12.724 8.627 5.580 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.359 8.974 5.054 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.271 7.464 6.776 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.653 7.000 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.568 8.665 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.221 9.294 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -14.789 9.744 7.445 1.00 0.00 H new ATOM 427 N GLY B 578 -14.890 4.503 2.324 1.00 0.00 N ATOM 428 CA GLY B 578 -16.239 3.980 2.219 1.00 0.00 C ATOM 429 C GLY B 578 -16.373 2.929 1.145 1.00 0.00 C ATOM 430 O GLY B 578 -17.362 2.198 1.106 1.00 0.00 O ATOM 0 H GLY B 578 -14.206 3.845 2.698 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.535 3.554 3.178 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.927 4.799 2.008 1.00 0.00 H new ATOM 434 N SER B 579 -15.383 2.858 0.270 1.00 0.00 N ATOM 435 CA SER B 579 -15.362 1.847 -0.773 1.00 0.00 C ATOM 436 C SER B 579 -15.304 0.457 -0.155 1.00 0.00 C ATOM 437 O SER B 579 -14.633 0.245 0.862 1.00 0.00 O ATOM 438 CB SER B 579 -14.159 2.067 -1.681 1.00 0.00 C ATOM 439 OG SER B 579 -14.082 3.420 -2.091 1.00 0.00 O ATOM 0 H SER B 579 -14.582 3.490 0.262 1.00 0.00 H new ATOM 0 HA SER B 579 -16.274 1.929 -1.365 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.245 1.788 -1.156 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.234 1.421 -2.555 1.00 0.00 H new ATOM 0 HG SER B 579 -13.554 3.929 -1.441 1.00 0.00 H new ATOM 445 N ILE B 580 -16.018 -0.487 -0.751 1.00 0.00 N ATOM 446 CA ILE B 580 -16.019 -1.842 -0.249 1.00 0.00 C ATOM 447 C ILE B 580 -14.977 -2.665 -0.980 1.00 0.00 C ATOM 448 O ILE B 580 -15.125 -2.993 -2.160 1.00 0.00 O ATOM 449 CB ILE B 580 -17.401 -2.508 -0.368 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.422 -1.753 0.486 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.324 -3.963 0.061 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.058 -1.700 1.956 1.00 0.00 C ATOM 0 H ILE B 580 -16.598 -0.336 -1.576 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.773 -1.797 0.812 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.721 -2.472 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.520 -0.736 0.107 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.397 -2.228 0.378 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.309 -4.421 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.618 -4.494 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -16.990 -4.020 1.097 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.825 -1.150 2.501 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -17.989 -2.714 2.350 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.098 -1.198 2.075 1.00 0.00 H new ATOM 464 N ILE B 581 -13.914 -2.969 -0.270 1.00 0.00 N ATOM 465 CA ILE B 581 -12.793 -3.679 -0.838 1.00 0.00 C ATOM 466 C ILE B 581 -12.984 -5.177 -0.646 1.00 0.00 C ATOM 467 O ILE B 581 -13.117 -5.650 0.485 1.00 0.00 O ATOM 468 CB ILE B 581 -11.481 -3.223 -0.168 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.402 -1.695 -0.132 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.285 -3.783 -0.896 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.472 -1.035 -1.494 1.00 0.00 C ATOM 0 H ILE B 581 -13.803 -2.731 0.716 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.736 -3.459 -1.904 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.474 -3.602 0.854 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.216 -1.315 0.485 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.471 -1.402 0.353 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.371 -3.448 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.327 -4.872 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.291 -3.434 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.409 0.047 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.642 -1.383 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.415 -1.294 -1.976 1.00 0.00 H new ATOM 483 N GLN B 582 -13.031 -5.918 -1.747 1.00 0.00 N ATOM 484 CA GLN B 582 -13.252 -7.352 -1.670 1.00 0.00 C ATOM 485 C GLN B 582 -11.955 -8.109 -1.833 1.00 0.00 C ATOM 486 O GLN B 582 -11.247 -7.947 -2.825 1.00 0.00 O ATOM 487 CB GLN B 582 -14.250 -7.819 -2.718 1.00 0.00 C ATOM 488 CG GLN B 582 -14.546 -9.314 -2.631 1.00 0.00 C ATOM 489 CD GLN B 582 -15.457 -9.813 -3.731 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.423 -9.320 -4.855 1.00 0.00 O ATOM 491 NE2 GLN B 582 -16.290 -10.789 -3.406 1.00 0.00 N ATOM 0 H GLN B 582 -12.920 -5.552 -2.693 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.664 -7.560 -0.682 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.180 -7.262 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.863 -7.587 -3.710 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.607 -9.865 -2.670 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.003 -9.530 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.285 -11.170 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.937 -11.160 -4.102 1.00 0.00 H new ATOM 500 N LEU B 583 -11.673 -8.955 -0.864 1.00 0.00 N ATOM 501 CA LEU B 583 -10.425 -9.687 -0.826 1.00 0.00 C ATOM 502 C LEU B 583 -10.503 -10.966 -1.649 1.00 0.00 C ATOM 503 O LEU B 583 -11.576 -11.323 -2.134 1.00 0.00 O ATOM 504 CB LEU B 583 -10.083 -10.013 0.616 1.00 0.00 C ATOM 505 CG LEU B 583 -10.093 -8.817 1.555 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.863 -9.287 2.973 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.042 -7.791 1.142 1.00 0.00 C ATOM 0 H LEU B 583 -12.300 -9.154 -0.084 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.644 -9.064 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.792 -10.754 0.985 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.096 -10.474 0.646 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.066 -8.329 1.498 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.870 -8.430 3.646 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.654 -9.980 3.259 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -8.899 -9.791 3.037 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.069 -6.945 1.829 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.054 -8.250 1.171 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.251 -7.443 0.130 1.00 0.00 H new ATOM 519 N ALA B 584 -9.377 -11.655 -1.798 1.00 0.00 N ATOM 520 CA ALA B 584 -9.334 -12.874 -2.598 1.00 0.00 C ATOM 521 C ALA B 584 -10.252 -13.948 -2.019 1.00 0.00 C ATOM 522 O ALA B 584 -10.868 -14.721 -2.754 1.00 0.00 O ATOM 523 CB ALA B 584 -7.911 -13.406 -2.708 1.00 0.00 C ATOM 0 H ALA B 584 -8.486 -11.392 -1.378 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.689 -12.621 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -7.908 -14.315 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.278 -12.656 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.528 -13.629 -1.712 1.00 0.00 H new ATOM 529 N ASN B 585 -10.356 -13.972 -0.692 1.00 0.00 N ATOM 530 CA ASN B 585 -11.181 -14.956 -0.005 1.00 0.00 C ATOM 531 C ASN B 585 -12.664 -14.622 -0.167 1.00 0.00 C ATOM 532 O ASN B 585 -13.530 -15.445 0.130 1.00 0.00 O ATOM 533 CB ASN B 585 -10.804 -15.036 1.479 1.00 0.00 C ATOM 534 CG ASN B 585 -11.130 -13.779 2.260 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.217 -12.684 1.703 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.288 -13.927 3.564 1.00 0.00 N ATOM 0 H ASN B 585 -9.877 -13.319 -0.072 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.998 -15.931 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.325 -15.880 1.932 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.736 -15.238 1.563 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.490 -13.116 4.149 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.208 -14.852 3.986 1.00 0.00 H new ATOM 543 N GLY B 586 -12.946 -13.408 -0.626 1.00 0.00 N ATOM 544 CA GLY B 586 -14.304 -13.037 -0.952 1.00 0.00 C ATOM 545 C GLY B 586 -15.011 -12.269 0.147 1.00 0.00 C ATOM 546 O GLY B 586 -16.231 -12.119 0.101 1.00 0.00 O ATOM 0 H GLY B 586 -12.254 -12.674 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.297 -12.432 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.873 -13.939 -1.175 1.00 0.00 H new ATOM 550 N GLU B 587 -14.275 -11.779 1.138 1.00 0.00 N ATOM 551 CA GLU B 587 -14.909 -11.008 2.201 1.00 0.00 C ATOM 552 C GLU B 587 -14.825 -9.518 1.896 1.00 0.00 C ATOM 553 O GLU B 587 -13.959 -9.076 1.135 1.00 0.00 O ATOM 554 CB GLU B 587 -14.295 -11.318 3.567 1.00 0.00 C ATOM 555 CG GLU B 587 -12.878 -10.826 3.740 1.00 0.00 C ATOM 556 CD GLU B 587 -12.376 -11.024 5.153 1.00 0.00 C ATOM 557 OE1 GLU B 587 -12.648 -10.162 6.011 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.720 -12.052 5.416 1.00 0.00 O ATOM 0 H GLU B 587 -13.266 -11.897 1.228 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.959 -11.299 2.243 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -14.919 -10.872 4.342 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.314 -12.396 3.724 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.224 -11.354 3.046 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.828 -9.768 3.483 1.00 0.00 H new ATOM 565 N LEU B 588 -15.737 -8.757 2.483 1.00 0.00 N ATOM 566 CA LEU B 588 -15.880 -7.344 2.173 1.00 0.00 C ATOM 567 C LEU B 588 -15.550 -6.478 3.375 1.00 0.00 C ATOM 568 O LEU B 588 -16.150 -6.626 4.441 1.00 0.00 O ATOM 569 CB LEU B 588 -17.309 -7.070 1.722 1.00 0.00 C ATOM 570 CG LEU B 588 -17.801 -7.970 0.594 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.210 -7.592 0.191 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.857 -7.887 -0.589 1.00 0.00 C ATOM 0 H LEU B 588 -16.395 -9.100 3.183 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.180 -7.095 1.375 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -17.975 -7.185 2.578 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.381 -6.032 1.399 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.818 -9.001 0.948 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.545 -8.244 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.875 -7.702 1.047 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.226 -6.557 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.218 -8.534 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -16.812 -6.858 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.862 -8.209 -0.283 1.00 0.00 H new ATOM 584 N LYS B 589 -14.599 -5.575 3.202 1.00 0.00 N ATOM 585 CA LYS B 589 -14.180 -4.692 4.273 1.00 0.00 C ATOM 586 C LYS B 589 -14.042 -3.268 3.750 1.00 0.00 C ATOM 587 O LYS B 589 -13.643 -3.057 2.601 1.00 0.00 O ATOM 588 CB LYS B 589 -12.841 -5.177 4.839 1.00 0.00 C ATOM 589 CG LYS B 589 -12.829 -6.660 5.184 1.00 0.00 C ATOM 590 CD LYS B 589 -11.431 -7.183 5.499 1.00 0.00 C ATOM 591 CE LYS B 589 -10.986 -6.837 6.909 1.00 0.00 C ATOM 592 NZ LYS B 589 -10.315 -5.516 6.980 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.101 -5.435 2.323 1.00 0.00 H new ATOM 0 HA LYS B 589 -14.930 -4.702 5.064 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.054 -4.975 4.113 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -12.604 -4.602 5.734 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -13.479 -6.834 6.042 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.244 -7.226 4.350 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -11.414 -8.265 5.371 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -10.721 -6.766 4.785 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -11.852 -6.838 7.571 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -10.306 -7.607 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -9.940 -5.368 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -9.534 -5.486 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.000 -4.766 6.757 1.00 0.00 H new ATOM 606 N LYS B 590 -14.393 -2.294 4.582 1.00 0.00 N ATOM 607 CA LYS B 590 -14.231 -0.892 4.224 1.00 0.00 C ATOM 608 C LYS B 590 -12.754 -0.554 4.114 1.00 0.00 C ATOM 609 O LYS B 590 -11.966 -1.018 4.938 1.00 0.00 O ATOM 610 CB LYS B 590 -14.886 0.013 5.272 1.00 0.00 C ATOM 611 CG LYS B 590 -16.399 0.061 5.206 1.00 0.00 C ATOM 612 CD LYS B 590 -16.879 1.137 4.253 1.00 0.00 C ATOM 613 CE LYS B 590 -18.322 1.521 4.533 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.278 0.412 4.264 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.791 -2.450 5.508 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.717 -0.724 3.263 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.589 -0.328 6.264 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.498 1.025 5.153 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.781 -0.908 4.885 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.802 0.249 6.201 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.242 2.017 4.345 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.788 0.783 3.226 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.415 1.830 5.574 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.589 2.382 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.073 0.469 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.637 0.492 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.793 -0.500 4.380 1.00 0.00 H new ATOM 628 N VAL B 591 -12.381 0.231 3.104 1.00 0.00 N ATOM 629 CA VAL B 591 -10.969 0.553 2.859 1.00 0.00 C ATOM 630 C VAL B 591 -10.272 0.954 4.143 1.00 0.00 C ATOM 631 O VAL B 591 -9.204 0.451 4.489 1.00 0.00 O ATOM 632 CB VAL B 591 -10.788 1.748 1.912 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.382 1.747 1.345 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.830 1.776 0.820 1.00 0.00 C ATOM 0 H VAL B 591 -13.031 0.656 2.443 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.548 -0.352 2.422 1.00 0.00 H new ATOM 0 HB VAL B 591 -10.931 2.661 2.489 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.260 2.597 0.674 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.661 1.821 2.159 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.213 0.822 0.794 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.660 2.639 0.177 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.762 0.863 0.228 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.822 1.846 1.266 1.00 0.00 H new ATOM 644 N GLU B 592 -10.932 1.849 4.849 1.00 0.00 N ATOM 645 CA GLU B 592 -10.373 2.507 6.008 1.00 0.00 C ATOM 646 C GLU B 592 -10.120 1.538 7.155 1.00 0.00 C ATOM 647 O GLU B 592 -9.338 1.834 8.056 1.00 0.00 O ATOM 648 CB GLU B 592 -11.337 3.602 6.456 1.00 0.00 C ATOM 649 CG GLU B 592 -12.744 3.084 6.708 1.00 0.00 C ATOM 650 CD GLU B 592 -13.739 4.186 6.989 1.00 0.00 C ATOM 651 OE1 GLU B 592 -13.676 4.783 8.083 1.00 0.00 O ATOM 652 OE2 GLU B 592 -14.594 4.449 6.122 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.884 2.142 4.630 1.00 0.00 H new ATOM 0 HA GLU B 592 -9.408 2.931 5.731 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.957 4.064 7.367 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -11.373 4.381 5.695 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -13.076 2.515 5.840 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.725 2.395 7.552 1.00 0.00 H new ATOM 659 N ASP B 593 -10.774 0.385 7.123 1.00 0.00 N ATOM 660 CA ASP B 593 -10.699 -0.542 8.240 1.00 0.00 C ATOM 661 C ASP B 593 -9.942 -1.809 7.863 1.00 0.00 C ATOM 662 O ASP B 593 -9.848 -2.747 8.658 1.00 0.00 O ATOM 663 CB ASP B 593 -12.101 -0.891 8.743 1.00 0.00 C ATOM 664 CG ASP B 593 -12.068 -1.490 10.135 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.690 -0.772 11.083 1.00 0.00 O1- ATOM 666 OD2 ASP B 593 -12.400 -2.684 10.286 1.00 0.00 O ATOM 0 H ASP B 593 -11.355 0.073 6.345 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.149 -0.049 9.042 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.719 0.007 8.749 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.569 -1.596 8.055 1.00 0.00 H new ATOM 671 N LEU B 594 -9.407 -1.847 6.650 1.00 0.00 N ATOM 672 CA LEU B 594 -8.556 -2.939 6.237 1.00 0.00 C ATOM 673 C LEU B 594 -7.329 -3.011 7.137 1.00 0.00 C ATOM 674 O LEU B 594 -6.800 -1.991 7.583 1.00 0.00 O ATOM 675 CB LEU B 594 -8.151 -2.773 4.775 1.00 0.00 C ATOM 676 CG LEU B 594 -9.301 -2.847 3.768 1.00 0.00 C ATOM 677 CD1 LEU B 594 -8.864 -2.277 2.443 1.00 0.00 C ATOM 678 CD2 LEU B 594 -9.774 -4.280 3.575 1.00 0.00 C ATOM 0 H LEU B 594 -9.551 -1.130 5.939 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.107 -3.875 6.330 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.650 -1.812 4.660 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.422 -3.544 4.527 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.131 -2.261 4.163 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -9.689 -2.334 1.733 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -8.569 -1.236 2.574 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.017 -2.849 2.062 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -10.591 -4.299 2.854 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -8.949 -4.889 3.205 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.121 -4.680 4.528 1.00 0.00 H new ATOM 690 N LYS B 595 -6.901 -4.224 7.397 1.00 0.00 N ATOM 691 CA LYS B 595 -5.828 -4.501 8.344 1.00 0.00 C ATOM 692 C LYS B 595 -4.923 -5.553 7.731 1.00 0.00 C ATOM 693 O LYS B 595 -5.431 -6.537 7.231 1.00 0.00 O ATOM 694 CB LYS B 595 -6.398 -5.023 9.668 1.00 0.00 C ATOM 695 CG LYS B 595 -7.357 -4.072 10.373 1.00 0.00 C ATOM 696 CD LYS B 595 -6.644 -2.842 10.913 1.00 0.00 C ATOM 697 CE LYS B 595 -7.567 -1.984 11.770 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.738 -1.476 11.008 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.287 -5.059 6.957 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.273 -3.586 8.550 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.916 -5.963 9.478 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.570 -5.245 10.341 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.138 -3.763 9.678 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.849 -4.595 11.193 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.782 -3.152 11.504 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.263 -2.248 10.082 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.917 -2.569 12.621 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.005 -1.141 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -9.344 -0.913 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.409 -0.881 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -9.282 -2.279 10.631 1.00 0.00 H new ATOM 712 N THR B 596 -3.609 -5.400 7.872 1.00 0.00 N ATOM 713 CA THR B 596 -2.629 -6.098 7.018 1.00 0.00 C ATOM 714 C THR B 596 -2.938 -7.587 6.804 1.00 0.00 C ATOM 715 O THR B 596 -2.643 -8.130 5.740 1.00 0.00 O ATOM 716 CB THR B 596 -1.205 -5.964 7.600 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.234 -6.468 6.678 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.081 -6.724 8.903 1.00 0.00 C ATOM 0 H THR B 596 -3.187 -4.794 8.575 1.00 0.00 H new ATOM 0 HA THR B 596 -2.697 -5.610 6.046 1.00 0.00 H new ATOM 0 HB THR B 596 -1.023 -4.905 7.781 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.364 -7.091 7.141 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.069 -6.614 9.293 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.794 -6.326 9.625 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.291 -7.780 8.730 1.00 0.00 H new ATOM 726 N GLU B 597 -3.547 -8.226 7.794 1.00 0.00 N ATOM 727 CA GLU B 597 -3.865 -9.643 7.721 1.00 0.00 C ATOM 728 C GLU B 597 -4.840 -9.967 6.581 1.00 0.00 C ATOM 729 O GLU B 597 -4.816 -11.079 6.054 1.00 0.00 O ATOM 730 CB GLU B 597 -4.405 -10.123 9.063 1.00 0.00 C ATOM 731 CG GLU B 597 -3.411 -9.928 10.198 1.00 0.00 C ATOM 732 CD GLU B 597 -3.937 -10.390 11.538 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.672 -9.619 12.188 1.00 0.00 O1- ATOM 734 OE2 GLU B 597 -3.607 -11.519 11.954 1.00 0.00 O ATOM 0 H GLU B 597 -3.833 -7.778 8.665 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.943 -10.179 7.496 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.324 -9.585 9.294 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.664 -11.179 8.989 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.495 -10.472 9.967 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -3.147 -8.873 10.263 1.00 0.00 H new ATOM 741 N ASP B 598 -5.691 -9.010 6.195 1.00 0.00 N ATOM 742 CA ASP B 598 -6.649 -9.242 5.105 1.00 0.00 C ATOM 743 C ASP B 598 -5.933 -9.450 3.782 1.00 0.00 C ATOM 744 O ASP B 598 -6.160 -10.444 3.082 1.00 0.00 O ATOM 745 CB ASP B 598 -7.688 -8.107 4.952 1.00 0.00 C ATOM 746 CG ASP B 598 -7.187 -6.708 5.163 1.00 0.00 C ATOM 747 OD1 ASP B 598 -6.097 -6.367 4.670 1.00 0.00 O ATOM 748 OD2 ASP B 598 -7.920 -5.936 5.819 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.738 -8.081 6.613 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.190 -10.147 5.379 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -8.116 -8.169 3.951 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.499 -8.289 5.657 1.00 0.00 H new ATOM 753 N PHE B 599 -5.076 -8.511 3.445 1.00 0.00 N ATOM 754 CA PHE B 599 -4.281 -8.600 2.227 1.00 0.00 C ATOM 755 C PHE B 599 -3.323 -9.773 2.302 1.00 0.00 C ATOM 756 O PHE B 599 -3.069 -10.442 1.301 1.00 0.00 O ATOM 757 CB PHE B 599 -3.512 -7.304 1.961 1.00 0.00 C ATOM 758 CG PHE B 599 -4.355 -6.220 1.343 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.663 -6.016 1.751 1.00 0.00 C ATOM 760 CD2 PHE B 599 -3.837 -5.412 0.346 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.439 -5.028 1.178 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.609 -4.421 -0.231 1.00 0.00 C ATOM 763 CZ PHE B 599 -5.910 -4.230 0.185 1.00 0.00 C ATOM 0 H PHE B 599 -4.907 -7.670 3.997 1.00 0.00 H new ATOM 0 HA PHE B 599 -4.969 -8.757 1.396 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.096 -6.939 2.900 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.671 -7.519 1.302 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -6.082 -6.638 2.528 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -2.819 -5.557 0.015 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.457 -4.880 1.506 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.193 -3.796 -1.008 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.514 -3.457 -0.266 1.00 0.00 H new ATOM 773 N ILE B 600 -2.787 -10.023 3.492 1.00 0.00 N ATOM 774 CA ILE B 600 -1.955 -11.185 3.712 1.00 0.00 C ATOM 775 C ILE B 600 -2.698 -12.464 3.353 1.00 0.00 C ATOM 776 O ILE B 600 -2.268 -13.201 2.471 1.00 0.00 O ATOM 777 CB ILE B 600 -1.493 -11.239 5.174 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.467 -10.136 5.423 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.925 -12.608 5.524 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.008 -10.032 6.858 1.00 0.00 C ATOM 0 H ILE B 600 -2.918 -9.433 4.314 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.082 -11.103 3.065 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.354 -11.075 5.822 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.401 -10.312 4.787 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.896 -9.181 5.120 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.606 -12.614 6.566 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.691 -13.369 5.374 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.070 -12.822 4.882 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.719 -9.225 6.950 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.864 -9.824 7.500 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.453 -10.972 7.162 1.00 0.00 H new ATOM 792 N GLN B 601 -3.834 -12.695 3.998 1.00 0.00 N ATOM 793 CA GLN B 601 -4.600 -13.911 3.772 1.00 0.00 C ATOM 794 C GLN B 601 -4.993 -14.055 2.317 1.00 0.00 C ATOM 795 O GLN B 601 -4.751 -15.091 1.716 1.00 0.00 O ATOM 796 CB GLN B 601 -5.852 -13.947 4.643 1.00 0.00 C ATOM 797 CG GLN B 601 -5.574 -14.370 6.067 1.00 0.00 C ATOM 798 CD GLN B 601 -6.837 -14.535 6.888 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.847 -13.872 6.644 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.794 -15.429 7.861 1.00 0.00 N ATOM 0 H GLN B 601 -4.244 -12.057 4.680 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.955 -14.746 4.045 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.312 -12.959 4.647 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.575 -14.633 4.201 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.025 -15.311 6.061 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.931 -13.629 6.542 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -5.938 -15.957 8.031 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.617 -15.590 8.442 1.00 0.00 H new ATOM 809 N SER B 602 -5.573 -13.008 1.754 1.00 0.00 N ATOM 810 CA SER B 602 -6.064 -13.056 0.384 1.00 0.00 C ATOM 811 C SER B 602 -4.976 -13.521 -0.579 1.00 0.00 C ATOM 812 O SER B 602 -5.191 -14.417 -1.400 1.00 0.00 O ATOM 813 CB SER B 602 -6.583 -11.683 -0.026 1.00 0.00 C ATOM 814 OG SER B 602 -5.663 -10.667 0.300 1.00 0.00 O ATOM 0 H SER B 602 -5.716 -12.114 2.223 1.00 0.00 H new ATOM 0 HA SER B 602 -6.879 -13.778 0.337 1.00 0.00 H new ATOM 0 HB2 SER B 602 -6.776 -11.671 -1.099 1.00 0.00 H new ATOM 0 HB3 SER B 602 -7.533 -11.488 0.471 1.00 0.00 H new ATOM 0 HG SER B 602 -5.245 -10.329 -0.519 1.00 0.00 H new ATOM 820 N ALA B 603 -3.813 -12.913 -0.461 1.00 0.00 N ATOM 821 CA ALA B 603 -2.672 -13.278 -1.287 1.00 0.00 C ATOM 822 C ALA B 603 -2.185 -14.693 -0.979 1.00 0.00 C ATOM 823 O ALA B 603 -1.836 -15.443 -1.889 1.00 0.00 O ATOM 824 CB ALA B 603 -1.544 -12.283 -1.095 1.00 0.00 C ATOM 0 H ALA B 603 -3.629 -12.160 0.202 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.996 -13.256 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.697 -12.568 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.885 -11.287 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.238 -12.277 -0.049 1.00 0.00 H new ATOM 830 N GLU B 604 -2.180 -15.060 0.300 1.00 0.00 N ATOM 831 CA GLU B 604 -1.685 -16.371 0.725 1.00 0.00 C ATOM 832 C GLU B 604 -2.591 -17.489 0.223 1.00 0.00 C ATOM 833 O GLU B 604 -2.127 -18.578 -0.120 1.00 0.00 O ATOM 834 CB GLU B 604 -1.562 -16.444 2.246 1.00 0.00 C ATOM 835 CG GLU B 604 -0.505 -15.512 2.810 1.00 0.00 C ATOM 836 CD GLU B 604 -0.101 -15.853 4.229 1.00 0.00 C ATOM 837 OE1 GLU B 604 -0.989 -16.090 5.079 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.118 -15.883 4.507 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.513 -14.469 1.062 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.695 -16.503 0.288 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.526 -16.201 2.693 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.325 -17.468 2.535 1.00 0.00 H new ATOM 0 HG2 GLU B 604 0.377 -15.545 2.171 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.880 -14.489 2.782 1.00 0.00 H new ATOM 845 N ILE B 605 -3.885 -17.206 0.182 1.00 0.00 N ATOM 846 CA ILE B 605 -4.880 -18.117 -0.381 1.00 0.00 C ATOM 847 C ILE B 605 -4.651 -18.279 -1.891 1.00 0.00 C ATOM 848 O ILE B 605 -5.256 -19.132 -2.545 1.00 0.00 O ATOM 849 CB ILE B 605 -6.305 -17.591 -0.082 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.456 -17.398 1.428 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.371 -18.545 -0.600 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.682 -16.613 1.839 1.00 0.00 C ATOM 0 H ILE B 605 -4.279 -16.336 0.539 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.776 -19.098 0.082 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.442 -16.639 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.490 -18.377 1.905 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.570 -16.889 1.807 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.359 -18.145 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.265 -18.658 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.254 -19.517 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.710 -16.524 2.925 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.643 -15.619 1.394 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.578 -17.130 1.494 1.00 0.00 H new ATOM 901 N LEU B 609 -2.230 -13.962 -6.565 1.00 0.00 N ATOM 902 CA LEU B 609 -1.602 -12.891 -5.800 1.00 0.00 C ATOM 903 C LEU B 609 -0.485 -13.430 -4.917 1.00 0.00 C ATOM 904 O LEU B 609 -0.447 -14.624 -4.615 1.00 0.00 O ATOM 905 CB LEU B 609 -2.615 -12.177 -4.913 1.00 0.00 C ATOM 906 CG LEU B 609 -3.908 -11.717 -5.582 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.684 -11.288 -7.020 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.978 -12.790 -5.479 1.00 0.00 C ATOM 0 HA LEU B 609 -1.191 -12.187 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.876 -12.843 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.129 -11.305 -4.476 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.260 -10.836 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.631 -10.969 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.975 -10.461 -7.047 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -3.285 -12.126 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.891 -12.441 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.631 -13.698 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.181 -13.002 -4.429 1.00 0.00 H new ATOM 920 N LYS B 610 0.409 -12.535 -4.506 1.00 0.00 N ATOM 921 CA LYS B 610 1.475 -12.859 -3.560 1.00 0.00 C ATOM 922 C LYS B 610 1.825 -11.630 -2.726 1.00 0.00 C ATOM 923 O LYS B 610 1.839 -10.509 -3.243 1.00 0.00 O ATOM 924 CB LYS B 610 2.737 -13.342 -4.286 1.00 0.00 C ATOM 925 CG LYS B 610 2.606 -14.708 -4.938 1.00 0.00 C ATOM 926 CD LYS B 610 3.899 -15.142 -5.611 1.00 0.00 C ATOM 927 CE LYS B 610 4.323 -14.166 -6.696 1.00 0.00 C ATOM 928 NZ LYS B 610 5.505 -14.654 -7.453 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.416 -11.564 -4.819 1.00 0.00 H new ATOM 0 HA LYS B 610 1.112 -13.659 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.002 -12.612 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS B 610 3.562 -13.371 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.324 -15.444 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS B 610 1.804 -14.683 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.689 -15.222 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS B 610 3.769 -16.134 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS B 610 3.493 -14.006 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.554 -13.201 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 5.761 -13.959 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 6.305 -14.783 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 5.277 -15.562 -7.905 1.00 0.00 H new ATOM 942 N ILE B 611 2.085 -11.844 -1.441 1.00 0.00 N ATOM 943 CA ILE B 611 2.570 -10.788 -0.560 1.00 0.00 C ATOM 944 C ILE B 611 4.091 -10.756 -0.591 1.00 0.00 C ATOM 945 O ILE B 611 4.739 -11.788 -0.772 1.00 0.00 O ATOM 946 CB ILE B 611 2.104 -11.012 0.896 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.584 -10.899 0.994 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.772 -10.042 1.863 1.00 0.00 C ATOM 949 CD1 ILE B 611 0.066 -9.504 1.311 1.00 0.00 C ATOM 0 H ILE B 611 1.967 -12.748 -0.983 1.00 0.00 H new ATOM 0 HA ILE B 611 2.162 -9.841 -0.915 1.00 0.00 H new ATOM 0 HB ILE B 611 2.405 -12.020 1.183 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.148 -11.227 0.050 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.232 -11.586 1.764 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.416 -10.234 2.875 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.853 -10.178 1.826 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.526 -9.019 1.580 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.023 -9.523 1.360 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.467 -9.176 2.270 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.382 -8.812 0.530 1.00 0.00 H new ATOM 961 N ASP B 612 4.645 -9.576 -0.430 1.00 0.00 N ATOM 962 CA ASP B 612 6.091 -9.413 -0.332 1.00 0.00 C ATOM 963 C ASP B 612 6.440 -8.552 0.868 1.00 0.00 C ATOM 964 O ASP B 612 5.658 -7.688 1.269 1.00 0.00 O ATOM 965 CB ASP B 612 6.660 -8.763 -1.586 1.00 0.00 C ATOM 966 CG ASP B 612 8.176 -8.747 -1.598 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.789 -9.833 -1.552 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 8.762 -7.649 -1.642 1.00 0.00 O ATOM 0 H ASP B 612 4.118 -8.705 -0.363 1.00 0.00 H new ATOM 0 HA ASP B 612 6.527 -10.406 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.299 -9.299 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.289 -7.741 -1.661 1.00 0.00 H new ATOM 973 N SER B 613 7.609 -8.785 1.428 1.00 0.00 N ATOM 974 CA SER B 613 8.079 -8.013 2.560 1.00 0.00 C ATOM 975 C SER B 613 9.290 -7.171 2.164 1.00 0.00 C ATOM 976 O SER B 613 10.315 -7.706 1.736 1.00 0.00 O ATOM 977 CB SER B 613 8.435 -8.946 3.718 1.00 0.00 C ATOM 978 OG SER B 613 7.319 -9.732 4.106 1.00 0.00 O ATOM 0 H SER B 613 8.256 -9.509 1.115 1.00 0.00 H new ATOM 0 HA SER B 613 7.283 -7.341 2.882 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.257 -9.598 3.423 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.783 -8.359 4.568 1.00 0.00 H new ATOM 0 HG SER B 613 7.575 -10.320 4.847 1.00 0.00 H new ATOM 984 N SER B 614 9.166 -5.856 2.286 1.00 0.00 N ATOM 985 CA SER B 614 10.263 -4.963 1.956 1.00 0.00 C ATOM 986 C SER B 614 10.403 -3.852 3.002 1.00 0.00 C ATOM 987 O SER B 614 9.598 -2.926 3.053 1.00 0.00 O ATOM 988 CB SER B 614 10.030 -4.379 0.562 1.00 0.00 C ATOM 989 OG SER B 614 8.758 -3.757 0.471 1.00 0.00 O ATOM 0 H SER B 614 8.320 -5.388 2.610 1.00 0.00 H new ATOM 0 HA SER B 614 11.196 -5.526 1.958 1.00 0.00 H new ATOM 0 HB2 SER B 614 10.810 -3.652 0.335 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.105 -5.171 -0.184 1.00 0.00 H new ATOM 0 HG SER B 614 8.592 -3.233 1.282 1.00 0.00 H new ATOM 995 N THR B 615 11.416 -3.959 3.850 1.00 0.00 N ATOM 996 CA THR B 615 11.635 -2.976 4.907 1.00 0.00 C ATOM 997 C THR B 615 12.260 -1.698 4.358 1.00 0.00 C ATOM 998 O THR B 615 13.392 -1.711 3.876 1.00 0.00 O ATOM 999 CB THR B 615 12.538 -3.548 6.017 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.926 -4.716 6.585 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.793 -2.512 7.110 1.00 0.00 C ATOM 0 H THR B 615 12.100 -4.715 3.829 1.00 0.00 H new ATOM 0 HA THR B 615 10.658 -2.738 5.327 1.00 0.00 H new ATOM 0 HB THR B 615 13.497 -3.816 5.574 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.503 -5.078 7.289 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.433 -2.944 7.879 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.284 -1.640 6.678 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.844 -2.211 7.554 1.00 0.00 H new ATOM 1009 N VAL B 616 11.508 -0.602 4.408 1.00 0.00 N ATOM 1010 CA VAL B 616 12.038 0.697 4.038 1.00 0.00 C ATOM 1011 C VAL B 616 13.201 1.095 4.943 1.00 0.00 C ATOM 1012 O VAL B 616 13.047 1.233 6.155 1.00 0.00 O ATOM 1013 CB VAL B 616 10.945 1.790 4.060 1.00 0.00 C ATOM 1014 CG1 VAL B 616 10.027 1.637 5.255 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.566 3.177 4.058 1.00 0.00 C ATOM 0 H VAL B 616 10.531 -0.592 4.701 1.00 0.00 H new ATOM 0 HA VAL B 616 12.406 0.611 3.016 1.00 0.00 H new ATOM 0 HB VAL B 616 10.349 1.668 3.156 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.272 2.423 5.237 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.539 0.663 5.216 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.609 1.715 6.173 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.777 3.929 4.074 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.197 3.294 4.939 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.170 3.304 3.160 1.00 0.00 H new ATOM 1025 N GLU B 617 14.367 1.246 4.338 1.00 0.00 N ATOM 1026 CA GLU B 617 15.567 1.648 5.043 1.00 0.00 C ATOM 1027 C GLU B 617 15.759 3.156 4.989 1.00 0.00 C ATOM 1028 O GLU B 617 16.472 3.729 5.811 1.00 0.00 O ATOM 1029 CB GLU B 617 16.769 0.966 4.416 1.00 0.00 C ATOM 1030 CG GLU B 617 16.683 -0.542 4.453 1.00 0.00 C ATOM 1031 CD GLU B 617 17.067 -1.116 5.800 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.278 -1.251 6.068 1.00 0.00 O ATOM 1033 OE2 GLU B 617 16.163 -1.439 6.596 1.00 0.00 O1- ATOM 0 H GLU B 617 14.506 1.092 3.339 1.00 0.00 H new ATOM 0 HA GLU B 617 15.467 1.353 6.087 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.865 1.293 3.381 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.672 1.285 4.936 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.667 -0.850 4.208 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.336 -0.958 3.686 1.00 0.00 H new ATOM 1040 N ARG B 618 15.128 3.802 4.018 1.00 0.00 N ATOM 1041 CA ARG B 618 15.343 5.222 3.806 1.00 0.00 C ATOM 1042 C ARG B 618 14.207 5.832 2.995 1.00 0.00 C ATOM 1043 O ARG B 618 13.615 5.171 2.144 1.00 0.00 O ATOM 1044 CB ARG B 618 16.689 5.439 3.107 1.00 0.00 C ATOM 1045 CG ARG B 618 16.899 6.849 2.591 1.00 0.00 C ATOM 1046 CD ARG B 618 18.303 7.046 2.047 1.00 0.00 C ATOM 1047 NE ARG B 618 19.296 7.009 3.114 1.00 0.00 N ATOM 1048 CZ ARG B 618 19.699 8.085 3.788 1.00 0.00 C ATOM 1049 NH1 ARG B 618 19.228 9.288 3.472 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 20.576 7.956 4.773 1.00 0.00 N ATOM 0 H ARG B 618 14.469 3.368 3.371 1.00 0.00 H new ATOM 0 HA ARG B 618 15.361 5.723 4.774 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.491 5.195 3.804 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.769 4.743 2.272 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.172 7.061 1.807 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.717 7.562 3.396 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.524 6.269 1.315 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.362 8.001 1.525 1.00 0.00 H new ATOM 0 HE ARG B 618 19.706 6.107 3.358 1.00 0.00 H new ATOM 0 HH11 ARG B 618 18.556 9.389 2.711 1.00 0.00 H new ATOM 0 HH12 ARG B 618 19.539 10.110 3.990 1.00 0.00 H new ATOM 0 HH21 ARG B 618 20.941 7.034 5.014 1.00 0.00 H new ATOM 0 HH22 ARG B 618 20.886 8.778 5.291 1.00 0.00 H new ATOM 1064 N ILE B 619 13.905 7.089 3.278 1.00 0.00 N ATOM 1065 CA ILE B 619 12.849 7.807 2.583 1.00 0.00 C ATOM 1066 C ILE B 619 13.375 9.137 2.069 1.00 0.00 C ATOM 1067 O ILE B 619 13.800 9.998 2.843 1.00 0.00 O ATOM 1068 CB ILE B 619 11.626 8.030 3.497 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.940 6.694 3.758 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.651 9.022 2.871 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.822 6.773 4.771 1.00 0.00 C ATOM 0 H ILE B 619 14.383 7.638 3.993 1.00 0.00 H new ATOM 0 HA ILE B 619 12.526 7.200 1.737 1.00 0.00 H new ATOM 0 HB ILE B 619 11.964 8.452 4.444 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.541 6.311 2.819 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.683 5.976 4.105 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.798 9.162 3.535 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.152 9.978 2.718 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.305 8.636 1.912 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.382 5.785 4.905 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.218 7.126 5.723 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.058 7.466 4.417 1.00 0.00 H new ATOM 1083 N GLU B 620 13.342 9.294 0.759 1.00 0.00 N ATOM 1084 CA GLU B 620 13.937 10.447 0.111 1.00 0.00 C ATOM 1085 C GLU B 620 12.870 11.293 -0.572 1.00 0.00 C ATOM 1086 O GLU B 620 11.942 10.761 -1.183 1.00 0.00 O ATOM 1087 CB GLU B 620 14.971 9.977 -0.903 1.00 0.00 C ATOM 1088 CG GLU B 620 16.067 9.142 -0.280 1.00 0.00 C ATOM 1089 CD GLU B 620 17.148 9.974 0.377 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.987 10.541 -0.351 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.176 10.059 1.622 1.00 0.00 O ATOM 0 H GLU B 620 12.905 8.631 0.118 1.00 0.00 H new ATOM 0 HA GLU B 620 14.424 11.066 0.864 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.474 9.395 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.415 10.845 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU B 620 15.629 8.474 0.462 1.00 0.00 H new ATOM 0 HG3 GLU B 620 16.517 8.513 -1.048 1.00 0.00 H new ATOM 1098 N ASP B 621 12.997 12.603 -0.464 1.00 0.00 N ATOM 1099 CA ASP B 621 12.035 13.514 -1.073 1.00 0.00 C ATOM 1100 C ASP B 621 12.410 13.833 -2.510 1.00 0.00 C ATOM 1101 O ASP B 621 13.587 13.951 -2.853 1.00 0.00 O ATOM 1102 CB ASP B 621 11.914 14.799 -0.252 1.00 0.00 C ATOM 1103 CG ASP B 621 11.171 15.907 -0.974 1.00 0.00 C ATOM 1104 OD1 ASP B 621 9.941 15.785 -1.161 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 11.813 16.908 -1.353 1.00 0.00 O ATOM 0 H ASP B 621 13.756 13.063 0.039 1.00 0.00 H new ATOM 0 HA ASP B 621 11.066 13.016 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP B 621 11.400 14.577 0.683 1.00 0.00 H new ATOM 0 HB3 ASP B 621 12.912 15.151 0.008 1.00 0.00 H new ATOM 1110 N SER B 622 11.394 13.961 -3.339 1.00 0.00 N ATOM 1111 CA SER B 622 11.575 14.235 -4.755 1.00 0.00 C ATOM 1112 C SER B 622 10.920 15.567 -5.113 1.00 0.00 C ATOM 1113 O SER B 622 9.876 15.919 -4.561 1.00 0.00 O ATOM 1114 CB SER B 622 10.958 13.101 -5.580 1.00 0.00 C ATOM 1115 OG SER B 622 11.232 13.256 -6.963 1.00 0.00 O ATOM 0 H SER B 622 10.418 13.878 -3.053 1.00 0.00 H new ATOM 0 HA SER B 622 12.640 14.298 -4.979 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.350 12.144 -5.235 1.00 0.00 H new ATOM 0 HB3 SER B 622 9.880 13.080 -5.422 1.00 0.00 H new ATOM 0 HG SER B 622 11.174 12.385 -7.408 1.00 0.00 H new ATOM 1121 N HIS B 623 11.536 16.304 -6.033 1.00 0.00 N ATOM 1122 CA HIS B 623 11.022 17.611 -6.445 1.00 0.00 C ATOM 1123 C HIS B 623 9.772 17.450 -7.298 1.00 0.00 C ATOM 1124 O HIS B 623 9.026 18.405 -7.511 1.00 0.00 O ATOM 1125 CB HIS B 623 12.093 18.403 -7.206 1.00 0.00 C ATOM 1126 CG HIS B 623 11.677 19.803 -7.542 1.00 0.00 C ATOM 1127 ND1 HIS B 623 11.426 20.229 -8.830 1.00 0.00 N ATOM 1128 CD2 HIS B 623 11.455 20.874 -6.746 1.00 0.00 C ATOM 1129 CE1 HIS B 623 11.066 21.497 -8.810 1.00 0.00 C ATOM 1130 NE2 HIS B 623 11.076 21.912 -7.558 1.00 0.00 N ATOM 0 H HIS B 623 12.392 16.020 -6.509 1.00 0.00 H new ATOM 0 HA HIS B 623 10.758 18.170 -5.547 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.003 18.437 -6.606 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.338 17.874 -8.127 1.00 0.00 H new ATOM 0 HD2 HIS B 623 11.557 20.906 -5.671 1.00 0.00 H new ATOM 0 HE1 HIS B 623 10.807 22.094 -9.672 1.00 0.00 H new ATOM 0 HE2 HIS B 623 10.840 22.853 -7.244 1.00 0.00 H new ATOM 1139 N SER B 624 9.557 16.243 -7.791 1.00 0.00 N ATOM 1140 CA SER B 624 8.323 15.915 -8.468 1.00 0.00 C ATOM 1141 C SER B 624 7.155 16.095 -7.492 1.00 0.00 C ATOM 1142 O SER B 624 7.266 15.753 -6.310 1.00 0.00 O ATOM 1143 CB SER B 624 8.396 14.486 -8.999 1.00 0.00 C ATOM 1144 OG SER B 624 9.507 14.319 -9.868 1.00 0.00 O ATOM 0 H SER B 624 10.225 15.475 -7.733 1.00 0.00 H new ATOM 0 HA SER B 624 8.166 16.579 -9.318 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.475 13.789 -8.165 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.475 14.245 -9.530 1.00 0.00 H new ATOM 0 HG SER B 624 9.532 13.395 -10.193 1.00 0.00 H new ATOM 1150 N PRO B 625 6.043 16.670 -7.971 1.00 0.00 N ATOM 1151 CA PRO B 625 4.902 17.038 -7.126 1.00 0.00 C ATOM 1152 C PRO B 625 4.324 15.879 -6.330 1.00 0.00 C ATOM 1153 O PRO B 625 3.732 14.954 -6.890 1.00 0.00 O ATOM 1154 CB PRO B 625 3.859 17.582 -8.092 1.00 0.00 C ATOM 1155 CG PRO B 625 4.548 17.798 -9.399 1.00 0.00 C ATOM 1156 CD PRO B 625 5.824 16.999 -9.384 1.00 0.00 C ATOM 0 HA PRO B 625 5.218 17.758 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.032 16.880 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.437 18.515 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO B 625 3.909 17.483 -10.224 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.762 18.856 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO B 625 5.734 16.098 -9.991 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.656 17.574 -9.790 1.00 0.00 H new ATOM 1164 N GLY B 626 4.491 15.958 -5.012 1.00 0.00 N ATOM 1165 CA GLY B 626 3.953 14.952 -4.124 1.00 0.00 C ATOM 1166 C GLY B 626 4.605 13.604 -4.313 1.00 0.00 C ATOM 1167 O GLY B 626 3.952 12.576 -4.185 1.00 0.00 O ATOM 0 H GLY B 626 4.995 16.711 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.087 15.275 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY B 626 2.880 14.860 -4.293 1.00 0.00 H new ATOM 1171 N VAL B 627 5.894 13.603 -4.617 1.00 0.00 N ATOM 1172 CA VAL B 627 6.605 12.364 -4.868 1.00 0.00 C ATOM 1173 C VAL B 627 7.658 12.110 -3.802 1.00 0.00 C ATOM 1174 O VAL B 627 8.405 13.012 -3.416 1.00 0.00 O ATOM 1175 CB VAL B 627 7.283 12.370 -6.254 1.00 0.00 C ATOM 1176 CG1 VAL B 627 7.974 11.045 -6.531 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.266 12.673 -7.335 1.00 0.00 C ATOM 0 H VAL B 627 6.465 14.444 -4.695 1.00 0.00 H new ATOM 0 HA VAL B 627 5.863 11.566 -4.841 1.00 0.00 H new ATOM 0 HB VAL B 627 8.042 13.152 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.443 11.078 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL B 627 8.735 10.866 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.240 10.240 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL B 627 6.758 12.674 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.486 11.912 -7.324 1.00 0.00 H new ATOM 0 HG23 VAL B 627 5.821 13.651 -7.152 1.00 0.00 H new ATOM 1187 N ALA B 628 7.698 10.883 -3.321 1.00 0.00 N ATOM 1188 CA ALA B 628 8.729 10.455 -2.400 1.00 0.00 C ATOM 1189 C ALA B 628 9.244 9.097 -2.818 1.00 0.00 C ATOM 1190 O ALA B 628 8.467 8.196 -3.138 1.00 0.00 O ATOM 1191 CB ALA B 628 8.208 10.402 -0.971 1.00 0.00 C ATOM 0 H ALA B 628 7.020 10.159 -3.557 1.00 0.00 H new ATOM 0 HA ALA B 628 9.542 11.181 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.007 10.077 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA B 628 7.866 11.393 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.378 9.698 -0.912 1.00 0.00 H new ATOM 1197 N VAL B 629 10.549 8.958 -2.835 1.00 0.00 N ATOM 1198 CA VAL B 629 11.159 7.693 -3.165 1.00 0.00 C ATOM 1199 C VAL B 629 11.484 6.936 -1.897 1.00 0.00 C ATOM 1200 O VAL B 629 12.269 7.388 -1.055 1.00 0.00 O ATOM 1201 CB VAL B 629 12.411 7.857 -4.061 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.013 9.236 -3.883 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.448 6.773 -3.787 1.00 0.00 C ATOM 0 H VAL B 629 11.209 9.707 -2.624 1.00 0.00 H new ATOM 0 HA VAL B 629 10.441 7.117 -3.749 1.00 0.00 H new ATOM 0 HB VAL B 629 12.093 7.746 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL B 629 13.892 9.334 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.278 9.992 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.302 9.375 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.311 6.923 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.763 6.826 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL B 629 13.012 5.794 -3.984 1.00 0.00 H new ATOM 1213 N ILE B 630 10.834 5.805 -1.747 1.00 0.00 N ATOM 1214 CA ILE B 630 11.029 4.968 -0.597 1.00 0.00 C ATOM 1215 C ILE B 630 12.054 3.896 -0.931 1.00 0.00 C ATOM 1216 O ILE B 630 11.852 3.103 -1.851 1.00 0.00 O ATOM 1217 CB ILE B 630 9.713 4.302 -0.162 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.548 5.289 -0.230 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.852 3.764 1.246 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.672 6.439 0.738 1.00 0.00 C ATOM 0 H ILE B 630 10.158 5.444 -2.420 1.00 0.00 H new ATOM 0 HA ILE B 630 11.383 5.588 0.227 1.00 0.00 H new ATOM 0 HB ILE B 630 9.502 3.480 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.477 5.684 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.619 4.755 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.917 3.293 1.550 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.656 3.028 1.277 1.00 0.00 H new ATOM 0 HG23 ILE B 630 10.084 4.583 1.927 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.810 7.098 0.633 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.712 6.054 1.757 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.583 6.997 0.525 1.00 0.00 H new ATOM 1232 N GLN B 631 13.162 3.898 -0.215 1.00 0.00 N ATOM 1233 CA GLN B 631 14.211 2.922 -0.439 1.00 0.00 C ATOM 1234 C GLN B 631 13.989 1.710 0.451 1.00 0.00 C ATOM 1235 O GLN B 631 14.120 1.795 1.674 1.00 0.00 O ATOM 1236 CB GLN B 631 15.585 3.533 -0.169 1.00 0.00 C ATOM 1237 CG GLN B 631 16.731 2.567 -0.404 1.00 0.00 C ATOM 1238 CD GLN B 631 18.079 3.178 -0.091 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.726 3.762 -0.956 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.509 3.048 1.152 1.00 0.00 N ATOM 0 H GLN B 631 13.359 4.567 0.529 1.00 0.00 H new ATOM 0 HA GLN B 631 14.177 2.608 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.718 4.406 -0.808 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.622 3.885 0.862 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.586 1.680 0.213 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.717 2.238 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN B 631 17.939 2.555 1.840 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.410 3.441 1.424 1.00 0.00 H new ATOM 1249 N PHE B 632 13.651 0.593 -0.167 1.00 0.00 N ATOM 1250 CA PHE B 632 13.342 -0.628 0.562 1.00 0.00 C ATOM 1251 C PHE B 632 14.471 -1.629 0.464 1.00 0.00 C ATOM 1252 O PHE B 632 15.149 -1.705 -0.551 1.00 0.00 O ATOM 1253 CB PHE B 632 12.087 -1.289 0.005 1.00 0.00 C ATOM 1254 CG PHE B 632 10.855 -0.443 0.045 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.062 -0.416 1.173 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.474 0.300 -1.058 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.912 0.338 1.203 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.319 1.052 -1.038 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.536 1.071 0.095 1.00 0.00 C ATOM 0 H PHE B 632 13.583 0.504 -1.181 1.00 0.00 H new ATOM 0 HA PHE B 632 13.191 -0.341 1.603 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.276 -1.580 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.898 -2.205 0.565 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.347 -0.992 2.041 1.00 0.00 H new ATOM 0 HD2 PHE B 632 11.089 0.291 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.302 0.357 2.094 1.00 0.00 H new ATOM 0 HE2 PHE B 632 9.029 1.624 -1.907 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.630 1.658 0.117 1.00 0.00 H new ATOM 1269 N ALA B 633 14.657 -2.391 1.522 1.00 0.00 N ATOM 1270 CA ALA B 633 15.552 -3.529 1.501 1.00 0.00 C ATOM 1271 C ALA B 633 14.734 -4.803 1.348 1.00 0.00 C ATOM 1272 O ALA B 633 14.175 -5.317 2.317 1.00 0.00 O ATOM 1273 CB ALA B 633 16.376 -3.568 2.775 1.00 0.00 C ATOM 0 H ALA B 633 14.194 -2.240 2.418 1.00 0.00 H new ATOM 0 HA ALA B 633 16.238 -3.443 0.658 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.046 -4.428 2.749 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.963 -2.653 2.857 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.712 -3.651 3.635 1.00 0.00 H new ATOM 1279 N VAL B 634 14.656 -5.294 0.123 1.00 0.00 N ATOM 1280 CA VAL B 634 13.821 -6.443 -0.196 1.00 0.00 C ATOM 1281 C VAL B 634 14.535 -7.750 0.130 1.00 0.00 C ATOM 1282 O VAL B 634 15.667 -7.981 -0.311 1.00 0.00 O ATOM 1283 CB VAL B 634 13.422 -6.440 -1.687 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.488 -7.597 -1.999 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.780 -5.113 -2.067 1.00 0.00 C ATOM 0 H VAL B 634 15.165 -4.912 -0.674 1.00 0.00 H new ATOM 0 HA VAL B 634 12.922 -6.367 0.416 1.00 0.00 H new ATOM 0 HB VAL B 634 14.327 -6.566 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.221 -7.574 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.987 -8.539 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.585 -7.509 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.506 -5.130 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.887 -4.954 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.487 -4.303 -1.889 1.00 0.00 H new ATOM 1295 N GLY B 635 13.874 -8.591 0.914 1.00 0.00 N ATOM 1296 CA GLY B 635 14.415 -9.892 1.243 1.00 0.00 C ATOM 1297 C GLY B 635 15.416 -9.833 2.375 1.00 0.00 C ATOM 1298 O GLY B 635 15.761 -8.750 2.854 1.00 0.00 O ATOM 0 H GLY B 635 12.965 -8.391 1.331 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.600 -10.562 1.517 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.894 -10.317 0.361 1.00 0.00 H new ATOM 1302 N GLU B 636 15.891 -10.996 2.802 1.00 0.00 N ATOM 1303 CA GLU B 636 16.888 -11.074 3.857 1.00 0.00 C ATOM 1304 C GLU B 636 18.262 -10.677 3.329 1.00 0.00 C ATOM 1305 O GLU B 636 19.199 -10.465 4.097 1.00 0.00 O ATOM 1306 CB GLU B 636 16.933 -12.478 4.448 1.00 0.00 C ATOM 1307 CG GLU B 636 15.663 -12.868 5.185 1.00 0.00 C ATOM 1308 CD GLU B 636 15.741 -14.253 5.787 1.00 0.00 C ATOM 1309 OE1 GLU B 636 15.492 -15.235 5.062 1.00 0.00 O ATOM 1310 OE2 GLU B 636 16.049 -14.371 6.990 1.00 0.00 O1- ATOM 0 H GLU B 636 15.599 -11.900 2.431 1.00 0.00 H new ATOM 0 HA GLU B 636 16.606 -10.375 4.645 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.113 -13.195 3.647 1.00 0.00 H new ATOM 0 HB3 GLU B 636 17.777 -12.548 5.134 1.00 0.00 H new ATOM 0 HG2 GLU B 636 15.469 -12.143 5.975 1.00 0.00 H new ATOM 0 HG3 GLU B 636 14.819 -12.822 4.496 1.00 0.00 H new ATOM 1317 N HIS B 637 18.375 -10.584 2.009 1.00 0.00 N ATOM 1318 CA HIS B 637 19.600 -10.109 1.382 1.00 0.00 C ATOM 1319 C HIS B 637 19.627 -8.586 1.404 1.00 0.00 C ATOM 1320 O HIS B 637 20.659 -7.955 1.173 1.00 0.00 O ATOM 1321 CB HIS B 637 19.705 -10.623 -0.058 1.00 0.00 C ATOM 1322 CG HIS B 637 21.025 -10.350 -0.713 1.00 0.00 C ATOM 1323 ND1 HIS B 637 21.150 -9.673 -1.907 1.00 0.00 N ATOM 1324 CD2 HIS B 637 22.283 -10.688 -0.343 1.00 0.00 C ATOM 1325 CE1 HIS B 637 22.422 -9.608 -2.243 1.00 0.00 C ATOM 1326 NE2 HIS B 637 23.131 -10.217 -1.312 1.00 0.00 N ATOM 0 H HIS B 637 17.633 -10.831 1.354 1.00 0.00 H new ATOM 0 HA HIS B 637 20.454 -10.491 1.941 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.526 -11.698 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS B 637 18.915 -10.166 -0.654 1.00 0.00 H new ATOM 0 HD2 HIS B 637 22.566 -11.228 0.549 1.00 0.00 H new ATOM 0 HE1 HIS B 637 22.817 -9.136 -3.130 1.00 0.00 H new ATOM 0 HE2 HIS B 637 24.146 -10.321 -1.313 1.00 0.00 H new ATOM 1335 N ARG B 638 18.454 -8.021 1.698 1.00 0.00 N ATOM 1336 CA ARG B 638 18.268 -6.584 1.848 1.00 0.00 C ATOM 1337 C ARG B 638 18.624 -5.832 0.571 1.00 0.00 C ATOM 1338 O ARG B 638 19.380 -4.865 0.600 1.00 0.00 O ATOM 1339 CB ARG B 638 19.090 -6.054 3.025 1.00 0.00 C ATOM 1340 CG ARG B 638 18.754 -6.712 4.349 1.00 0.00 C ATOM 1341 CD ARG B 638 19.577 -6.117 5.473 1.00 0.00 C ATOM 1342 NE ARG B 638 20.997 -6.068 5.137 1.00 0.00 N ATOM 1343 CZ ARG B 638 21.847 -5.166 5.621 1.00 0.00 C ATOM 1344 NH1 ARG B 638 21.436 -4.269 6.512 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 23.110 -5.171 5.220 1.00 0.00 N ATOM 0 H ARG B 638 17.599 -8.559 1.839 1.00 0.00 H new ATOM 0 HA ARG B 638 17.211 -6.411 2.050 1.00 0.00 H new ATOM 0 HB2 ARG B 638 20.149 -6.203 2.814 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.931 -4.979 3.113 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.693 -6.585 4.564 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.940 -7.784 4.285 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.220 -5.111 5.692 1.00 0.00 H new ATOM 0 HD3 ARG B 638 19.438 -6.708 6.378 1.00 0.00 H new ATOM 0 HE ARG B 638 21.360 -6.769 4.491 1.00 0.00 H new ATOM 0 HH11 ARG B 638 20.466 -4.271 6.827 1.00 0.00 H new ATOM 0 HH12 ARG B 638 22.091 -3.579 6.881 1.00 0.00 H new ATOM 0 HH21 ARG B 638 23.427 -5.865 4.543 1.00 0.00 H new ATOM 0 HH22 ARG B 638 23.765 -4.481 5.589 1.00 0.00 H new ATOM 1359 N ALA B 639 18.071 -6.278 -0.548 1.00 0.00 N ATOM 1360 CA ALA B 639 18.289 -5.603 -1.817 1.00 0.00 C ATOM 1361 C ALA B 639 17.529 -4.288 -1.841 1.00 0.00 C ATOM 1362 O ALA B 639 16.302 -4.269 -1.749 1.00 0.00 O ATOM 1363 CB ALA B 639 17.865 -6.488 -2.972 1.00 0.00 C ATOM 0 H ALA B 639 17.471 -7.101 -0.602 1.00 0.00 H new ATOM 0 HA ALA B 639 19.353 -5.394 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.036 -5.965 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.448 -7.409 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.806 -6.727 -2.877 1.00 0.00 H new ATOM 1369 N GLN B 640 18.256 -3.193 -1.960 1.00 0.00 N ATOM 1370 CA GLN B 640 17.657 -1.878 -1.819 1.00 0.00 C ATOM 1371 C GLN B 640 17.117 -1.347 -3.140 1.00 0.00 C ATOM 1372 O GLN B 640 17.814 -1.318 -4.157 1.00 0.00 O ATOM 1373 CB GLN B 640 18.642 -0.898 -1.185 1.00 0.00 C ATOM 1374 CG GLN B 640 18.940 -1.236 0.268 1.00 0.00 C ATOM 1375 CD GLN B 640 19.764 -0.182 0.972 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.568 0.517 0.359 1.00 0.00 O ATOM 1377 NE2 GLN B 640 19.573 -0.064 2.275 1.00 0.00 N ATOM 0 H GLN B 640 19.258 -3.187 -2.153 1.00 0.00 H new ATOM 0 HA GLN B 640 16.802 -1.981 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.572 -0.902 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.236 0.112 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.000 -1.369 0.803 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.468 -2.188 0.311 1.00 0.00 H new ATOM 0 HE21 GLN B 640 18.896 -0.663 2.748 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.102 0.626 2.808 1.00 0.00 H new ATOM 1386 N VAL B 641 15.853 -0.950 -3.098 1.00 0.00 N ATOM 1387 CA VAL B 641 15.146 -0.423 -4.255 1.00 0.00 C ATOM 1388 C VAL B 641 14.677 0.996 -3.975 1.00 0.00 C ATOM 1389 O VAL B 641 14.124 1.268 -2.910 1.00 0.00 O ATOM 1390 CB VAL B 641 13.914 -1.289 -4.596 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.211 -0.783 -5.846 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.308 -2.744 -4.759 1.00 0.00 C ATOM 0 H VAL B 641 15.285 -0.985 -2.252 1.00 0.00 H new ATOM 0 HA VAL B 641 15.836 -0.434 -5.099 1.00 0.00 H new ATOM 0 HB VAL B 641 13.215 -1.211 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.348 -1.414 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.880 0.243 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.901 -0.815 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.424 -3.336 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.036 -2.836 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.747 -3.108 -3.830 1.00 0.00 H new ATOM 1402 N SER B 642 14.895 1.890 -4.922 1.00 0.00 N ATOM 1403 CA SER B 642 14.447 3.263 -4.787 1.00 0.00 C ATOM 1404 C SER B 642 13.311 3.543 -5.765 1.00 0.00 C ATOM 1405 O SER B 642 13.538 3.709 -6.964 1.00 0.00 O ATOM 1406 CB SER B 642 15.615 4.219 -5.038 1.00 0.00 C ATOM 1407 OG SER B 642 16.668 3.994 -4.114 1.00 0.00 O ATOM 0 H SER B 642 15.381 1.688 -5.796 1.00 0.00 H new ATOM 0 HA SER B 642 14.078 3.419 -3.773 1.00 0.00 H new ATOM 0 HB2 SER B 642 15.985 4.087 -6.055 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.269 5.250 -4.956 1.00 0.00 H new ATOM 0 HG SER B 642 17.402 4.616 -4.297 1.00 0.00 H new ATOM 1413 N VAL B 643 12.089 3.593 -5.253 1.00 0.00 N ATOM 1414 CA VAL B 643 10.924 3.801 -6.087 1.00 0.00 C ATOM 1415 C VAL B 643 10.220 5.115 -5.737 1.00 0.00 C ATOM 1416 O VAL B 643 9.863 5.358 -4.582 1.00 0.00 O ATOM 1417 CB VAL B 643 9.948 2.608 -5.968 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.561 2.346 -4.518 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.716 2.841 -6.815 1.00 0.00 C ATOM 0 H VAL B 643 11.883 3.491 -4.259 1.00 0.00 H new ATOM 0 HA VAL B 643 11.260 3.868 -7.122 1.00 0.00 H new ATOM 0 HB VAL B 643 10.462 1.721 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL B 643 8.874 1.501 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.456 2.119 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.076 3.231 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.041 1.990 -6.718 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.210 3.746 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.008 2.955 -7.859 1.00 0.00 H new ATOM 1429 N GLU B 644 10.051 5.967 -6.742 1.00 0.00 N ATOM 1430 CA GLU B 644 9.391 7.255 -6.566 1.00 0.00 C ATOM 1431 C GLU B 644 7.885 7.130 -6.774 1.00 0.00 C ATOM 1432 O GLU B 644 7.414 7.021 -7.908 1.00 0.00 O ATOM 1433 CB GLU B 644 9.956 8.282 -7.549 1.00 0.00 C ATOM 1434 CG GLU B 644 11.369 8.726 -7.227 1.00 0.00 C ATOM 1435 CD GLU B 644 11.888 9.761 -8.200 1.00 0.00 C ATOM 1436 OE1 GLU B 644 11.421 10.916 -8.148 1.00 0.00 O ATOM 1437 OE2 GLU B 644 12.769 9.424 -9.022 1.00 0.00 O1- ATOM 0 H GLU B 644 10.365 5.786 -7.695 1.00 0.00 H new ATOM 0 HA GLU B 644 9.578 7.589 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU B 644 9.939 7.858 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.305 9.156 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.396 9.136 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.030 7.859 -7.237 1.00 0.00 H new ATOM 1444 N VAL B 645 7.138 7.142 -5.681 1.00 0.00 N ATOM 1445 CA VAL B 645 5.699 7.067 -5.729 1.00 0.00 C ATOM 1446 C VAL B 645 5.099 8.358 -5.181 1.00 0.00 C ATOM 1447 O VAL B 645 5.762 9.085 -4.436 1.00 0.00 O ATOM 1448 CB VAL B 645 5.196 5.880 -4.887 1.00 0.00 C ATOM 1449 CG1 VAL B 645 3.692 5.844 -4.886 1.00 0.00 C ATOM 1450 CG2 VAL B 645 5.769 4.565 -5.396 1.00 0.00 C ATOM 0 H VAL B 645 7.520 7.204 -4.737 1.00 0.00 H new ATOM 0 HA VAL B 645 5.392 6.926 -6.765 1.00 0.00 H new ATOM 0 HB VAL B 645 5.541 6.016 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL B 645 3.349 5.000 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL B 645 3.306 6.771 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.330 5.735 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.397 3.744 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.464 4.412 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL B 645 6.857 4.596 -5.339 1.00 0.00 H new ATOM 1460 N LEU B 646 3.861 8.657 -5.559 1.00 0.00 N ATOM 1461 CA LEU B 646 3.167 9.790 -4.981 1.00 0.00 C ATOM 1462 C LEU B 646 2.875 9.530 -3.511 1.00 0.00 C ATOM 1463 O LEU B 646 2.461 8.436 -3.127 1.00 0.00 O ATOM 1464 CB LEU B 646 1.861 10.128 -5.710 1.00 0.00 C ATOM 1465 CG LEU B 646 2.002 10.637 -7.145 1.00 0.00 C ATOM 1466 CD1 LEU B 646 0.869 11.589 -7.490 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.335 11.320 -7.353 1.00 0.00 C ATOM 0 H LEU B 646 3.327 8.135 -6.254 1.00 0.00 H new ATOM 0 HA LEU B 646 3.829 10.649 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.235 9.236 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.330 10.882 -5.129 1.00 0.00 H new ATOM 0 HG LEU B 646 1.951 9.774 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU B 646 0.988 11.940 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU B 646 -0.085 11.070 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU B 646 0.890 12.441 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU B 646 3.407 11.672 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.419 12.168 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.141 10.614 -7.154 1.00 0.00 H new ATOM 1479 N VAL B 647 3.086 10.553 -2.704 1.00 0.00 N ATOM 1480 CA VAL B 647 2.964 10.452 -1.255 1.00 0.00 C ATOM 1481 C VAL B 647 1.529 10.174 -0.811 1.00 0.00 C ATOM 1482 O VAL B 647 1.293 9.781 0.330 1.00 0.00 O ATOM 1483 CB VAL B 647 3.465 11.741 -0.572 1.00 0.00 C ATOM 1484 CG1 VAL B 647 4.961 11.907 -0.775 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.719 12.960 -1.102 1.00 0.00 C ATOM 0 H VAL B 647 3.348 11.482 -3.033 1.00 0.00 H new ATOM 0 HA VAL B 647 3.583 9.608 -0.951 1.00 0.00 H new ATOM 0 HB VAL B 647 3.268 11.656 0.497 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.295 12.822 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.484 11.053 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.179 11.965 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.089 13.857 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.881 13.047 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.653 12.849 -0.903 1.00 0.00 H new ATOM 1495 N GLU B 648 0.580 10.370 -1.714 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.830 10.168 -1.406 1.00 0.00 C ATOM 1497 C GLU B 648 -1.228 8.704 -1.589 1.00 0.00 C ATOM 1498 O GLU B 648 -2.384 8.333 -1.380 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.692 11.072 -2.288 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.446 10.885 -3.775 1.00 0.00 C ATOM 1501 CD GLU B 648 -2.179 11.902 -4.620 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.859 13.104 -4.517 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -3.063 11.503 -5.405 1.00 0.00 O1- ATOM 0 H GLU B 648 0.761 10.670 -2.672 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.995 10.431 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.743 10.878 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.500 12.112 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.377 10.956 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.759 9.883 -4.068 1.00 0.00 H new ATOM 1510 N TYR B 649 -0.267 7.879 -1.980 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.502 6.456 -2.131 1.00 0.00 C ATOM 1512 C TYR B 649 -0.491 5.764 -0.775 1.00 0.00 C ATOM 1513 O TYR B 649 0.480 5.871 -0.024 1.00 0.00 O ATOM 1514 CB TYR B 649 0.544 5.835 -3.051 1.00 0.00 C ATOM 1515 CG TYR B 649 0.164 5.876 -4.512 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.071 7.080 -5.193 1.00 0.00 C ATOM 1517 CD2 TYR B 649 -0.096 4.705 -5.212 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.270 7.119 -6.530 1.00 0.00 C ATOM 1519 CE2 TYR B 649 -0.438 4.734 -6.549 1.00 0.00 C ATOM 1520 CZ TYR B 649 -0.524 5.943 -7.203 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.862 5.976 -8.536 1.00 0.00 O ATOM 0 H TYR B 649 0.684 8.175 -2.198 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.485 6.319 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.491 6.357 -2.916 1.00 0.00 H new ATOM 0 HB3 TYR B 649 0.707 4.799 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.269 8.003 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR B 649 -0.029 3.756 -4.702 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -0.337 8.065 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR B 649 -0.637 3.814 -7.079 1.00 0.00 H new ATOM 0 HH TYR B 649 -1.007 5.062 -8.859 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.579 5.062 -0.434 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.678 4.335 0.818 1.00 0.00 C ATOM 1533 C PRO B 650 -0.960 2.995 0.758 1.00 0.00 C ATOM 1534 O PRO B 650 -1.423 2.053 0.117 1.00 0.00 O ATOM 1535 CB PRO B 650 -3.186 4.129 1.013 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.859 4.720 -0.185 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.802 4.922 -1.229 1.00 0.00 C ATOM 0 HA PRO B 650 -1.210 4.879 1.638 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -3.423 3.069 1.106 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.528 4.614 1.927 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.642 4.057 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.336 5.667 0.069 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.744 4.076 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.995 5.809 -1.833 1.00 0.00 H new ATOM 1545 N PHE B 651 0.165 2.916 1.446 1.00 0.00 N ATOM 1546 CA PHE B 651 0.981 1.715 1.454 1.00 0.00 C ATOM 1547 C PHE B 651 0.534 0.765 2.552 1.00 0.00 C ATOM 1548 O PHE B 651 0.557 1.108 3.737 1.00 0.00 O ATOM 1549 CB PHE B 651 2.459 2.064 1.657 1.00 0.00 C ATOM 1550 CG PHE B 651 3.138 2.625 0.438 1.00 0.00 C ATOM 1551 CD1 PHE B 651 2.986 3.956 0.088 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.938 1.816 -0.353 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.616 4.469 -1.029 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.572 2.323 -1.472 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.410 3.652 -1.809 1.00 0.00 C ATOM 0 H PHE B 651 0.537 3.678 2.012 1.00 0.00 H new ATOM 0 HA PHE B 651 0.858 1.226 0.487 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.541 2.787 2.469 1.00 0.00 H new ATOM 0 HB3 PHE B 651 2.991 1.167 1.974 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.368 4.600 0.695 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.068 0.776 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.488 5.509 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.192 1.681 -2.081 1.00 0.00 H new ATOM 0 HZ PHE B 651 4.904 4.052 -2.682 1.00 0.00 H new ATOM 1565 N PHE B 652 0.110 -0.423 2.156 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.192 -1.464 3.117 1.00 0.00 C ATOM 1567 C PHE B 652 1.109 -2.010 3.666 1.00 0.00 C ATOM 1568 O PHE B 652 1.964 -2.468 2.908 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.012 -2.586 2.483 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.305 -2.831 3.198 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.308 -3.347 4.481 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.516 -2.531 2.598 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.491 -3.558 5.152 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.705 -2.744 3.266 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.691 -3.258 4.546 1.00 0.00 C ATOM 0 H PHE B 652 -0.032 -0.688 1.181 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.790 -1.040 3.923 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.219 -2.336 1.442 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.424 -3.504 2.480 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.371 -3.587 4.962 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.531 -2.126 1.597 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.478 -3.959 6.155 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.644 -2.509 2.788 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.619 -3.425 5.072 1.00 0.00 H new ATOM 1585 N VAL B 653 1.279 -1.942 4.971 1.00 0.00 N ATOM 1586 CA VAL B 653 2.540 -2.327 5.564 1.00 0.00 C ATOM 1587 C VAL B 653 2.399 -3.643 6.342 1.00 0.00 C ATOM 1588 O VAL B 653 1.479 -3.812 7.141 1.00 0.00 O ATOM 1589 CB VAL B 653 3.102 -1.216 6.479 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.603 -1.314 6.558 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.727 0.170 5.994 1.00 0.00 C ATOM 0 H VAL B 653 0.569 -1.628 5.632 1.00 0.00 H new ATOM 0 HA VAL B 653 3.249 -2.478 4.750 1.00 0.00 H new ATOM 0 HB VAL B 653 2.660 -1.365 7.464 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.986 -0.525 7.206 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.883 -2.286 6.965 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.028 -1.202 5.560 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.144 0.917 6.669 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.125 0.325 4.991 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.642 0.267 5.973 1.00 0.00 H new ATOM 1601 N PHE B 654 3.349 -4.545 6.097 1.00 0.00 N ATOM 1602 CA PHE B 654 3.346 -5.929 6.592 1.00 0.00 C ATOM 1603 C PHE B 654 3.377 -6.027 8.122 1.00 0.00 C ATOM 1604 O PHE B 654 4.436 -6.224 8.713 1.00 0.00 O ATOM 1605 CB PHE B 654 4.568 -6.655 6.002 1.00 0.00 C ATOM 1606 CG PHE B 654 4.556 -8.143 6.223 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.700 -8.954 5.497 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.398 -8.730 7.155 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.682 -10.320 5.695 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.384 -10.095 7.358 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.525 -10.892 6.626 1.00 0.00 C ATOM 0 H PHE B 654 4.170 -4.330 5.531 1.00 0.00 H new ATOM 0 HA PHE B 654 2.412 -6.393 6.274 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.615 -6.457 4.931 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.474 -6.239 6.443 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.038 -8.512 4.767 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.073 -8.112 7.729 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.009 -10.940 5.122 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.044 -10.540 8.088 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.513 -11.961 6.782 1.00 0.00 H new ATOM 1621 N GLY B 655 2.224 -5.898 8.756 1.00 0.00 N ATOM 1622 CA GLY B 655 2.163 -5.994 10.205 1.00 0.00 C ATOM 1623 C GLY B 655 2.178 -4.637 10.873 1.00 0.00 C ATOM 1624 O GLY B 655 1.610 -4.456 11.949 1.00 0.00 O ATOM 0 H GLY B 655 1.328 -5.729 8.298 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.258 -6.528 10.493 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.008 -6.582 10.564 1.00 0.00 H new ATOM 1628 N GLN B 656 2.823 -3.682 10.223 1.00 0.00 N ATOM 1629 CA GLN B 656 2.958 -2.338 10.761 1.00 0.00 C ATOM 1630 C GLN B 656 1.612 -1.616 10.746 1.00 0.00 C ATOM 1631 O GLN B 656 1.288 -0.874 11.675 1.00 0.00 O ATOM 1632 CB GLN B 656 4.013 -1.547 9.974 1.00 0.00 C ATOM 1633 CG GLN B 656 5.426 -2.097 10.106 1.00 0.00 C ATOM 1634 CD GLN B 656 5.632 -3.426 9.410 1.00 0.00 C ATOM 1635 OE1 GLN B 656 4.994 -3.590 8.254 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.378 -4.273 9.890 1.00 0.00 N flip ATOM 0 H GLN B 656 3.265 -3.815 9.313 1.00 0.00 H new ATOM 0 HA GLN B 656 3.291 -2.412 11.796 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.734 -1.539 8.920 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.004 -0.511 10.314 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.128 -1.371 9.697 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.664 -2.210 11.164 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.843 -4.097 10.780 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.533 -5.153 9.399 1.00 0.00 H new ATOM 1645 N GLY B 657 0.821 -1.838 9.700 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.519 -1.289 9.678 1.00 0.00 C ATOM 1647 C GLY B 657 -0.934 -0.735 8.331 1.00 0.00 C ATOM 1648 O GLY B 657 -0.335 -1.054 7.299 1.00 0.00 O ATOM 0 H GLY B 657 1.082 -2.382 8.877 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.224 -2.066 9.973 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.588 -0.496 10.423 1.00 0.00 H new ATOM 1652 N TRP B 658 -1.967 0.094 8.357 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.525 0.702 7.158 1.00 0.00 C ATOM 1654 C TRP B 658 -2.016 2.139 7.053 1.00 0.00 C ATOM 1655 O TRP B 658 -2.547 3.046 7.696 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.056 0.652 7.248 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.813 0.972 5.986 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.131 1.322 5.926 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.342 0.962 4.624 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.511 1.524 4.627 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.438 1.313 3.811 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.114 0.695 4.005 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.343 1.401 2.428 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.027 0.784 2.631 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.133 1.133 1.859 1.00 0.00 C ATOM 0 H TRP B 658 -2.445 0.366 9.216 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.215 0.163 6.263 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.346 -0.346 7.576 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.375 1.348 8.023 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.781 1.425 6.782 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.446 1.790 4.318 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.250 0.424 4.593 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.197 1.672 1.825 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.084 0.579 2.145 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.030 1.193 0.786 1.00 0.00 H new ATOM 1676 N SER B 659 -0.981 2.342 6.250 1.00 0.00 N ATOM 1677 CA SER B 659 -0.225 3.580 6.293 1.00 0.00 C ATOM 1678 C SER B 659 -0.136 4.260 4.930 1.00 0.00 C ATOM 1679 O SER B 659 -0.525 3.699 3.914 1.00 0.00 O ATOM 1680 CB SER B 659 1.178 3.288 6.829 1.00 0.00 C ATOM 1681 OG SER B 659 1.114 2.698 8.116 1.00 0.00 O ATOM 0 H SER B 659 -0.648 1.665 5.563 1.00 0.00 H new ATOM 0 HA SER B 659 -0.749 4.270 6.954 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.702 2.621 6.144 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.753 4.212 6.876 1.00 0.00 H new ATOM 0 HG SER B 659 2.022 2.518 8.439 1.00 0.00 H new ATOM 1687 N SER B 660 0.324 5.503 4.936 1.00 0.00 N ATOM 1688 CA SER B 660 0.618 6.239 3.715 1.00 0.00 C ATOM 1689 C SER B 660 1.804 7.161 3.948 1.00 0.00 C ATOM 1690 O SER B 660 2.073 7.563 5.084 1.00 0.00 O ATOM 1691 CB SER B 660 -0.606 7.047 3.280 1.00 0.00 C ATOM 1692 OG SER B 660 -1.733 6.206 3.125 1.00 0.00 O ATOM 0 H SER B 660 0.504 6.031 5.790 1.00 0.00 H new ATOM 0 HA SER B 660 0.867 5.534 2.922 1.00 0.00 H new ATOM 0 HB2 SER B 660 -0.821 7.818 4.020 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.395 7.558 2.340 1.00 0.00 H new ATOM 0 HG SER B 660 -2.550 6.746 3.150 1.00 0.00 H new ATOM 1698 N CYS B 661 2.521 7.478 2.874 1.00 0.00 N ATOM 1699 CA CYS B 661 3.686 8.354 2.952 1.00 0.00 C ATOM 1700 C CYS B 661 3.259 9.787 3.241 1.00 0.00 C ATOM 1701 O CYS B 661 4.092 10.661 3.491 1.00 0.00 O ATOM 1702 CB CYS B 661 4.476 8.298 1.647 1.00 0.00 C ATOM 1703 SG CYS B 661 5.065 6.644 1.221 1.00 0.00 S ATOM 0 H CYS B 661 2.314 7.139 1.934 1.00 0.00 H new ATOM 0 HA CYS B 661 4.322 8.009 3.767 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.848 8.670 0.837 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.331 8.970 1.722 1.00 0.00 H new ATOM 0 HG CYS B 661 4.204 6.065 0.438 1.00 0.00 H new ATOM 1709 N CYS B 662 1.955 10.011 3.201 1.00 0.00 N ATOM 1710 CA CYS B 662 1.386 11.300 3.518 1.00 0.00 C ATOM 1711 C CYS B 662 -0.082 11.130 3.865 1.00 0.00 C ATOM 1712 O CYS B 662 -0.960 11.327 3.020 1.00 0.00 O ATOM 1713 CB CYS B 662 1.553 12.279 2.351 1.00 0.00 C ATOM 1714 SG CYS B 662 0.861 13.922 2.646 1.00 0.00 S ATOM 0 H CYS B 662 1.267 9.302 2.948 1.00 0.00 H new ATOM 0 HA CYS B 662 1.915 11.717 4.375 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.615 12.381 2.128 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.081 11.853 1.466 1.00 0.00 H new ATOM 0 HG CYS B 662 1.057 14.670 1.601 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.364 10.738 5.119 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.733 10.589 5.611 1.00 0.00 C ATOM 1722 C PRO B 663 -2.512 11.880 5.453 1.00 0.00 C ATOM 1723 O PRO B 663 -3.737 11.873 5.344 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.557 10.241 7.090 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.183 9.679 7.184 1.00 0.00 C ATOM 1726 CD PRO B 663 0.628 10.414 6.157 1.00 0.00 C ATOM 0 HA PRO B 663 -2.293 9.832 5.062 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.668 11.123 7.720 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.304 9.518 7.419 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.230 9.820 8.183 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.184 8.607 6.988 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.086 11.312 6.572 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.436 9.797 5.764 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.779 12.987 5.432 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.360 14.286 5.169 1.00 0.00 C ATOM 1736 C GLU B 664 -3.137 14.243 3.859 1.00 0.00 C ATOM 1737 O GLU B 664 -4.353 14.391 3.859 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.269 15.357 5.098 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.370 15.395 6.324 1.00 0.00 C ATOM 1740 CD GLU B 664 0.648 16.513 6.263 1.00 0.00 C ATOM 1741 OE1 GLU B 664 1.641 16.386 5.514 1.00 0.00 O1- ATOM 1742 OE2 GLU B 664 0.457 17.535 6.952 1.00 0.00 O ATOM 0 H GLU B 664 -0.772 13.004 5.596 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.039 14.540 5.983 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.656 15.181 4.214 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.738 16.333 4.972 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.984 15.515 7.217 1.00 0.00 H new ATOM 0 HG3 GLU B 664 0.148 14.441 6.420 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.433 13.977 2.758 1.00 0.00 N ATOM 1750 CA ARG B 665 -3.043 13.967 1.429 1.00 0.00 C ATOM 1751 C ARG B 665 -4.078 12.860 1.273 1.00 0.00 C ATOM 1752 O ARG B 665 -5.185 13.116 0.810 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.984 13.815 0.334 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.546 15.131 -0.282 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.657 14.906 -1.496 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.239 16.164 -2.109 1.00 0.00 N ATOM 1757 CZ ARG B 665 -0.470 16.498 -3.381 1.00 0.00 C ATOM 1758 NH1 ARG B 665 -1.080 15.653 -4.206 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -0.075 17.680 -3.834 1.00 0.00 N ATOM 0 H ARG B 665 -1.435 13.765 2.762 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.547 14.928 1.322 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -1.112 13.312 0.752 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -2.377 13.170 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.424 15.708 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -1.009 15.721 0.460 1.00 0.00 H new ATOM 0 HD2 ARG B 665 0.224 14.337 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -1.192 14.305 -2.231 1.00 0.00 H new ATOM 0 HE ARG B 665 0.264 16.833 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG B 665 -1.378 14.737 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG B 665 -1.251 15.920 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG B 665 0.404 18.331 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG B 665 -0.250 17.938 -4.805 1.00 0.00 H new ATOM 1773 N THR B 666 -3.728 11.636 1.645 1.00 0.00 N ATOM 1774 CA THR B 666 -4.628 10.507 1.448 1.00 0.00 C ATOM 1775 C THR B 666 -5.963 10.731 2.170 1.00 0.00 C ATOM 1776 O THR B 666 -7.030 10.436 1.629 1.00 0.00 O ATOM 1777 CB THR B 666 -3.973 9.191 1.913 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.629 9.133 1.418 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.750 7.978 1.408 1.00 0.00 C ATOM 0 H THR B 666 -2.836 11.400 2.081 1.00 0.00 H new ATOM 0 HA THR B 666 -4.831 10.428 0.380 1.00 0.00 H new ATOM 0 HB THR B 666 -3.977 9.170 3.003 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.637 8.841 0.482 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.264 7.065 1.752 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.769 8.013 1.792 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.773 7.988 0.318 1.00 0.00 H new ATOM 1787 N SER B 667 -5.905 11.286 3.375 1.00 0.00 N ATOM 1788 CA SER B 667 -7.105 11.622 4.121 1.00 0.00 C ATOM 1789 C SER B 667 -7.748 12.922 3.616 1.00 0.00 C ATOM 1790 O SER B 667 -8.968 13.065 3.634 1.00 0.00 O ATOM 1791 CB SER B 667 -6.755 11.735 5.597 1.00 0.00 C ATOM 1792 OG SER B 667 -6.356 10.481 6.126 1.00 0.00 O ATOM 0 H SER B 667 -5.034 11.512 3.855 1.00 0.00 H new ATOM 0 HA SER B 667 -7.838 10.829 3.974 1.00 0.00 H new ATOM 0 HB2 SER B 667 -5.952 12.460 5.729 1.00 0.00 H new ATOM 0 HB3 SER B 667 -7.616 12.109 6.150 1.00 0.00 H new ATOM 0 HG SER B 667 -6.517 9.779 5.461 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.926 13.874 3.191 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.402 15.123 2.615 1.00 0.00 C ATOM 1800 C GLN B 668 -8.165 14.922 1.314 1.00 0.00 C ATOM 1801 O GLN B 668 -9.292 15.386 1.162 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.205 16.029 2.344 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.956 17.030 3.439 1.00 0.00 C ATOM 1804 CD GLN B 668 -4.743 17.891 3.191 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -3.631 17.555 3.599 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -4.941 19.004 2.523 1.00 0.00 N ATOM 0 H GLN B 668 -5.910 13.800 3.237 1.00 0.00 H new ATOM 0 HA GLN B 668 -8.090 15.570 3.333 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.315 15.414 2.214 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.365 16.560 1.406 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.832 17.670 3.544 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.832 16.502 4.384 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -5.878 19.246 2.202 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -4.157 19.626 2.325 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.550 14.214 0.388 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.039 14.159 -0.981 1.00 0.00 C ATOM 1817 C LEU B 669 -8.966 12.972 -1.191 1.00 0.00 C ATOM 1818 O LEU B 669 -9.956 13.063 -1.913 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.853 14.072 -1.944 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.662 14.975 -1.592 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.555 14.835 -2.624 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.094 16.430 -1.455 1.00 0.00 C ATOM 0 H LEU B 669 -6.707 13.665 0.557 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.609 15.067 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.508 13.039 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.199 14.327 -2.946 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.272 14.651 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.722 15.484 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.214 13.800 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.934 15.121 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.229 17.044 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.523 16.772 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.840 16.515 -0.665 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.641 11.862 -0.554 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.391 10.630 -0.743 1.00 0.00 C ATOM 1836 C PHE B 670 -10.184 10.277 0.510 1.00 0.00 C ATOM 1837 O PHE B 670 -10.879 9.259 0.552 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.421 9.508 -1.125 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.631 9.835 -2.360 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -8.252 9.914 -3.596 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.268 10.076 -2.283 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.531 10.228 -4.732 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.541 10.388 -3.415 1.00 0.00 C ATOM 1844 CZ PHE B 670 -6.174 10.464 -4.641 1.00 0.00 C ATOM 0 H PHE B 670 -7.862 11.786 0.100 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.112 10.765 -1.549 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.737 9.324 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -8.980 8.587 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.313 9.728 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.769 10.019 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -8.028 10.289 -5.689 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.479 10.572 -3.342 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.607 10.708 -5.527 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.062 11.136 1.526 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.760 10.978 2.810 1.00 0.00 C ATOM 1856 C ASP B 671 -10.389 9.681 3.514 1.00 0.00 C ATOM 1857 O ASP B 671 -10.990 9.321 4.524 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.279 11.054 2.639 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.791 12.480 2.558 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -13.073 13.071 3.624 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -12.926 13.017 1.437 1.00 0.00 O ATOM 0 H ASP B 671 -9.472 11.967 1.483 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.433 11.809 3.435 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.565 10.518 1.734 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.760 10.547 3.475 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.380 9.000 3.007 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.006 7.704 3.534 1.00 0.00 C ATOM 1868 C LEU B 672 -7.984 7.855 4.658 1.00 0.00 C ATOM 1869 O LEU B 672 -6.899 8.401 4.451 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.457 6.824 2.408 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.022 5.429 2.846 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.240 4.589 3.192 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.193 4.758 1.765 1.00 0.00 C ATOM 0 H LEU B 672 -8.804 9.324 2.230 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.890 7.223 3.951 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.220 6.726 1.636 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.606 7.329 1.952 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.398 5.521 3.735 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.920 3.595 3.504 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.791 5.064 4.004 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.884 4.505 2.317 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -6.894 3.765 2.100 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -7.785 4.671 0.854 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.304 5.356 1.564 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.325 7.387 5.874 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.443 7.497 7.033 1.00 0.00 C ATOM 1887 C PRO B 673 -6.256 6.553 6.933 1.00 0.00 C ATOM 1888 O PRO B 673 -6.404 5.380 6.582 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.338 7.125 8.214 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.408 6.268 7.635 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.587 6.699 6.202 1.00 0.00 C ATOM 0 HA PRO B 673 -7.010 8.493 7.124 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.777 6.591 8.981 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.757 8.014 8.686 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.131 5.215 7.690 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.338 6.383 8.192 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.757 5.845 5.547 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.444 7.363 6.089 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.083 7.074 7.243 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.847 6.332 7.071 1.00 0.00 C ATOM 1901 C CYS B 674 -2.846 6.666 8.165 1.00 0.00 C ATOM 1902 O CYS B 674 -2.751 7.810 8.607 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.268 6.661 5.695 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.837 8.246 5.038 1.00 0.00 S ATOM 0 H CYS B 674 -4.960 8.015 7.618 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.057 5.265 7.141 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.180 6.672 5.760 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -3.537 5.869 4.997 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.116 8.188 4.811 1.00 0.00 H new ATOM 1910 N SER B 675 -2.126 5.652 8.616 1.00 0.00 N ATOM 1911 CA SER B 675 -1.027 5.836 9.548 1.00 0.00 C ATOM 1912 C SER B 675 0.199 6.310 8.778 1.00 0.00 C ATOM 1913 O SER B 675 0.237 6.197 7.557 1.00 0.00 O ATOM 1914 CB SER B 675 -0.746 4.521 10.274 1.00 0.00 C ATOM 1915 OG SER B 675 -1.924 4.025 10.895 1.00 0.00 O ATOM 0 H SER B 675 -2.287 4.681 8.347 1.00 0.00 H new ATOM 0 HA SER B 675 -1.285 6.587 10.295 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.365 3.784 9.567 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.029 4.673 11.025 1.00 0.00 H new ATOM 0 HG SER B 675 -1.723 3.182 11.352 1.00 0.00 H new ATOM 1921 N LYS B 676 1.180 6.878 9.457 1.00 0.00 N ATOM 1922 CA LYS B 676 2.350 7.382 8.756 1.00 0.00 C ATOM 1923 C LYS B 676 3.287 6.255 8.347 1.00 0.00 C ATOM 1924 O LYS B 676 3.827 5.540 9.192 1.00 0.00 O ATOM 1925 CB LYS B 676 3.119 8.406 9.592 1.00 0.00 C ATOM 1926 CG LYS B 676 4.339 8.958 8.864 1.00 0.00 C ATOM 1927 CD LYS B 676 3.947 9.576 7.529 1.00 0.00 C ATOM 1928 CE LYS B 676 5.141 10.156 6.788 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.709 11.346 7.475 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.193 7.001 10.469 1.00 0.00 H new ATOM 0 HA LYS B 676 1.979 7.876 7.858 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.454 9.229 9.854 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.437 7.942 10.526 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.829 9.708 9.485 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.061 8.158 8.700 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.469 8.819 6.907 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.210 10.362 7.697 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.912 9.392 6.693 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.839 10.432 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.442 11.776 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.954 12.039 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.129 11.056 8.381 1.00 0.00 H new ATOM 1943 N LEU B 677 3.470 6.109 7.044 1.00 0.00 N ATOM 1944 CA LEU B 677 4.452 5.185 6.506 1.00 0.00 C ATOM 1945 C LEU B 677 5.828 5.831 6.606 1.00 0.00 C ATOM 1946 O LEU B 677 6.069 6.890 6.024 1.00 0.00 O ATOM 1947 CB LEU B 677 4.100 4.825 5.047 1.00 0.00 C ATOM 1948 CG LEU B 677 4.996 3.784 4.350 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.294 4.403 3.849 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.291 2.626 5.285 1.00 0.00 C ATOM 0 H LEU B 677 2.946 6.624 6.336 1.00 0.00 H new ATOM 0 HA LEU B 677 4.453 4.257 7.077 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.074 4.457 5.026 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.122 5.741 4.457 1.00 0.00 H new ATOM 0 HG LEU B 677 4.451 3.410 3.483 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.899 3.637 3.363 1.00 0.00 H new ATOM 0 HD12 LEU B 677 6.068 5.194 3.134 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.846 4.822 4.690 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.925 1.900 4.776 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.804 2.997 6.173 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.356 2.148 5.579 1.00 0.00 H new ATOM 1962 N SER B 678 6.705 5.222 7.381 1.00 0.00 N ATOM 1963 CA SER B 678 8.051 5.736 7.548 1.00 0.00 C ATOM 1964 C SER B 678 9.080 4.619 7.489 1.00 0.00 C ATOM 1965 O SER B 678 8.733 3.442 7.441 1.00 0.00 O ATOM 1966 CB SER B 678 8.167 6.478 8.876 1.00 0.00 C ATOM 1967 OG SER B 678 7.153 7.461 8.992 1.00 0.00 O ATOM 0 H SER B 678 6.509 4.369 7.906 1.00 0.00 H new ATOM 0 HA SER B 678 8.251 6.426 6.728 1.00 0.00 H new ATOM 0 HB2 SER B 678 8.090 5.770 9.701 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.147 6.949 8.950 1.00 0.00 H new ATOM 0 HG SER B 678 7.243 7.925 9.851 1.00 0.00 H new ATOM 1973 N VAL B 679 10.346 5.008 7.484 1.00 0.00 N ATOM 1974 CA VAL B 679 11.448 4.074 7.459 1.00 0.00 C ATOM 1975 C VAL B 679 11.380 3.101 8.642 1.00 0.00 C ATOM 1976 O VAL B 679 11.091 3.492 9.776 1.00 0.00 O ATOM 1977 CB VAL B 679 12.787 4.846 7.416 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.779 6.013 8.390 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.972 3.935 7.680 1.00 0.00 C ATOM 0 H VAL B 679 10.633 5.987 7.497 1.00 0.00 H new ATOM 0 HA VAL B 679 11.378 3.468 6.556 1.00 0.00 H new ATOM 0 HB VAL B 679 12.895 5.243 6.407 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.733 6.537 8.338 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.973 6.699 8.129 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.625 5.641 9.403 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.893 4.516 7.641 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.870 3.482 8.666 1.00 0.00 H new ATOM 0 HG23 VAL B 679 14.005 3.152 6.923 1.00 0.00 H new ATOM 1989 N GLY B 680 11.619 1.829 8.352 1.00 0.00 N ATOM 1990 CA GLY B 680 11.454 0.779 9.340 1.00 0.00 C ATOM 1991 C GLY B 680 10.249 -0.094 9.057 1.00 0.00 C ATOM 1992 O GLY B 680 10.117 -1.183 9.615 1.00 0.00 O ATOM 0 H GLY B 680 11.929 1.502 7.437 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.351 0.160 9.362 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.351 1.227 10.329 1.00 0.00 H new ATOM 1996 N ASP B 681 9.371 0.376 8.182 1.00 0.00 N ATOM 1997 CA ASP B 681 8.120 -0.324 7.918 1.00 0.00 C ATOM 1998 C ASP B 681 8.240 -1.225 6.692 1.00 0.00 C ATOM 1999 O ASP B 681 8.504 -0.756 5.592 1.00 0.00 O ATOM 2000 CB ASP B 681 6.964 0.674 7.727 1.00 0.00 C ATOM 2001 CG ASP B 681 6.741 1.565 8.936 1.00 0.00 C ATOM 2002 OD1 ASP B 681 7.113 1.160 10.059 1.00 0.00 O ATOM 2003 OD2 ASP B 681 6.171 2.668 8.777 1.00 0.00 O1- ATOM 0 H ASP B 681 9.500 1.234 7.645 1.00 0.00 H new ATOM 0 HA ASP B 681 7.904 -0.949 8.785 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.170 1.297 6.857 1.00 0.00 H new ATOM 0 HB3 ASP B 681 6.048 0.123 7.515 1.00 0.00 H new ATOM 2008 N VAL B 682 8.056 -2.525 6.876 1.00 0.00 N ATOM 2009 CA VAL B 682 8.093 -3.445 5.746 1.00 0.00 C ATOM 2010 C VAL B 682 6.835 -3.300 4.894 1.00 0.00 C ATOM 2011 O VAL B 682 5.762 -3.722 5.296 1.00 0.00 O ATOM 2012 CB VAL B 682 8.282 -4.920 6.194 1.00 0.00 C ATOM 2013 CG1 VAL B 682 7.485 -5.226 7.417 1.00 0.00 C ATOM 2014 CG2 VAL B 682 7.930 -5.891 5.092 1.00 0.00 C ATOM 0 H VAL B 682 7.882 -2.962 7.781 1.00 0.00 H new ATOM 0 HA VAL B 682 8.961 -3.178 5.143 1.00 0.00 H new ATOM 0 HB VAL B 682 9.339 -5.041 6.430 1.00 0.00 H new ATOM 0 HG11 VAL B 682 7.641 -6.266 7.702 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.803 -4.575 8.231 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.427 -5.061 7.213 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.076 -6.912 5.446 1.00 0.00 H new ATOM 0 HG22 VAL B 682 6.888 -5.752 4.804 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.572 -5.711 4.230 1.00 0.00 H new ATOM 2024 N CYS B 683 6.972 -2.707 3.715 1.00 0.00 N ATOM 2025 CA CYS B 683 5.826 -2.509 2.841 1.00 0.00 C ATOM 2026 C CYS B 683 5.433 -3.802 2.174 1.00 0.00 C ATOM 2027 O CYS B 683 6.280 -4.620 1.803 1.00 0.00 O ATOM 2028 CB CYS B 683 6.088 -1.435 1.782 1.00 0.00 C ATOM 2029 SG CYS B 683 6.072 0.246 2.450 1.00 0.00 S ATOM 0 H CYS B 683 7.857 -2.358 3.346 1.00 0.00 H new ATOM 0 HA CYS B 683 5.004 -2.165 3.469 1.00 0.00 H new ATOM 0 HB2 CYS B 683 7.054 -1.624 1.314 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.334 -1.515 0.999 1.00 0.00 H new ATOM 0 HG CYS B 683 6.946 0.972 1.818 1.00 0.00 H new ATOM 2035 N ILE B 684 4.138 -3.979 2.050 1.00 0.00 N ATOM 2036 CA ILE B 684 3.586 -5.131 1.392 1.00 0.00 C ATOM 2037 C ILE B 684 3.568 -4.899 -0.112 1.00 0.00 C ATOM 2038 O ILE B 684 2.800 -4.068 -0.600 1.00 0.00 O ATOM 2039 CB ILE B 684 2.137 -5.396 1.849 1.00 0.00 C ATOM 2040 CG1 ILE B 684 2.095 -5.843 3.305 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.470 -6.429 0.951 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.688 -5.940 3.850 1.00 0.00 C ATOM 0 H ILE B 684 3.440 -3.325 2.404 1.00 0.00 H new ATOM 0 HA ILE B 684 4.208 -5.989 1.649 1.00 0.00 H new ATOM 0 HB ILE B 684 1.583 -4.461 1.768 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.582 -6.814 3.396 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.667 -5.141 3.912 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.449 -6.601 1.291 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.454 -6.063 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE B 684 2.029 -7.364 0.994 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.722 -6.263 4.891 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.206 -4.964 3.788 1.00 0.00 H new ATOM 0 HD13 ILE B 684 0.120 -6.663 3.264 1.00 0.00 H new ATOM 2054 N SER B 685 4.408 -5.592 -0.851 1.00 0.00 N ATOM 2055 CA SER B 685 4.300 -5.525 -2.291 1.00 0.00 C ATOM 2056 C SER B 685 3.337 -6.601 -2.743 1.00 0.00 C ATOM 2057 O SER B 685 3.570 -7.789 -2.522 1.00 0.00 O ATOM 2058 CB SER B 685 5.655 -5.706 -2.971 1.00 0.00 C ATOM 2059 OG SER B 685 5.629 -5.202 -4.294 1.00 0.00 O ATOM 0 H SER B 685 5.152 -6.191 -0.492 1.00 0.00 H new ATOM 0 HA SER B 685 3.933 -4.539 -2.575 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.426 -5.192 -2.397 1.00 0.00 H new ATOM 0 HB3 SER B 685 5.920 -6.763 -2.986 1.00 0.00 H new ATOM 0 HG SER B 685 4.855 -5.570 -4.769 1.00 0.00 H new ATOM 2065 N LEU B 686 2.249 -6.187 -3.351 1.00 0.00 N ATOM 2066 CA LEU B 686 1.246 -7.121 -3.789 1.00 0.00 C ATOM 2067 C LEU B 686 1.325 -7.262 -5.298 1.00 0.00 C ATOM 2068 O LEU B 686 1.119 -6.289 -6.026 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.131 -6.604 -3.371 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.165 -7.664 -2.999 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.516 -8.544 -4.181 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.666 -8.513 -1.849 1.00 0.00 C ATOM 0 H LEU B 686 2.039 -5.209 -3.552 1.00 0.00 H new ATOM 0 HA LEU B 686 1.411 -8.098 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.002 -5.937 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.534 -6.004 -4.187 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.070 -7.141 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.254 -9.285 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.928 -7.930 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.619 -9.051 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.416 -9.263 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.260 -9.009 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.482 -7.879 -0.982 1.00 0.00 H new ATOM 2084 N THR B 687 1.599 -8.463 -5.764 1.00 0.00 N ATOM 2085 CA THR B 687 1.767 -8.687 -7.184 1.00 0.00 C ATOM 2086 C THR B 687 0.542 -9.380 -7.773 1.00 0.00 C ATOM 2087 O THR B 687 0.130 -10.455 -7.327 1.00 0.00 O ATOM 2088 CB THR B 687 3.063 -9.484 -7.486 1.00 0.00 C ATOM 2089 OG1 THR B 687 3.231 -9.672 -8.898 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.064 -10.833 -6.786 1.00 0.00 C ATOM 0 H THR B 687 1.710 -9.294 -5.184 1.00 0.00 H new ATOM 0 HA THR B 687 1.867 -7.713 -7.663 1.00 0.00 H new ATOM 0 HB THR B 687 3.898 -8.897 -7.103 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.055 -10.175 -9.065 1.00 0.00 H new ATOM 0 HG21 THR B 687 3.987 -11.364 -7.020 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.995 -10.684 -5.708 1.00 0.00 H new ATOM 0 HG23 THR B 687 2.211 -11.420 -7.127 1.00 0.00 H new ATOM 2098 N LEU B 688 -0.065 -8.712 -8.740 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.194 -9.252 -9.476 1.00 0.00 C ATOM 2100 C LEU B 688 -0.677 -10.009 -10.695 1.00 0.00 C ATOM 2101 O LEU B 688 -0.288 -9.397 -11.688 1.00 0.00 O ATOM 2102 CB LEU B 688 -2.128 -8.110 -9.908 1.00 0.00 C ATOM 2103 CG LEU B 688 -3.187 -7.658 -8.882 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -4.394 -8.578 -8.931 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.622 -7.605 -7.462 1.00 0.00 C ATOM 0 H LEU B 688 0.213 -7.777 -9.037 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.757 -9.936 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.514 -7.247 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.644 -8.418 -10.817 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.493 -6.647 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -5.133 -8.247 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.831 -8.551 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -4.085 -9.597 -8.698 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.402 -7.282 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.270 -8.595 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -1.792 -6.900 -7.427 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.638 -11.331 -10.593 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.099 -12.173 -11.646 1.00 0.00 C ATOM 2119 C LYS B 689 -0.960 -12.121 -12.902 1.00 0.00 C ATOM 2120 O LYS B 689 -1.986 -12.826 -12.958 1.00 0.00 O ATOM 2121 CB LYS B 689 0.026 -13.605 -11.135 1.00 0.00 C ATOM 2122 CG LYS B 689 1.231 -13.816 -10.237 1.00 0.00 C ATOM 2123 CD LYS B 689 2.539 -13.638 -10.993 1.00 0.00 C ATOM 2124 CE LYS B 689 2.704 -14.685 -12.082 1.00 0.00 C ATOM 2125 NZ LYS B 689 3.994 -14.540 -12.803 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -0.600 -11.379 -13.840 1.00 0.00 O ATOM 0 H LYS B 689 -0.978 -11.845 -9.781 1.00 0.00 H new ATOM 0 HA LYS B 689 0.888 -11.798 -11.918 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.878 -13.868 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS B 689 0.092 -14.283 -11.986 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.193 -13.111 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.193 -14.817 -9.808 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.571 -12.643 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.374 -13.703 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.646 -15.680 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS B 689 1.881 -14.603 -12.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.066 -15.273 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.040 -13.601 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.781 -14.644 -12.131 1.00 0.00 H new