USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1065 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 667 SER OG : rot 58:sc= 0.739 USER MOD Set 1.2: B 674 CYS SG : rot -65:sc= -8.44! USER MOD Set 2.1: B 660 SER OG : rot -142:sc= -1.38 USER MOD Set 2.2: B 666 THR OG1 : rot -72:sc= 0.486 USER MOD Set 3.1: B 622 SER OG : rot 133:sc= 1.22 USER MOD Set 3.2: B 624 SER OG : rot 64:sc= 0.259 USER MOD Set 4.1: B 614 SER OG : rot -95:sc= 1.27 USER MOD Set 4.2: B 685 SER OG : rot 109:sc= -2.34! USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.61 F(o=-2.3,f=-1.6) USER MOD Single : A 39 SER OG : rot 56:sc= 1.81 USER MOD Single : A 47 SER OG : rot 140:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc=-0.000202 F(o=-1.1,f=-0.0002) USER MOD Single : B 570 THR OG1 : rot 30:sc= 0.766 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -124:sc= -0.141 (180deg=-1) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 70:sc= 1.03 USER MOD Single : B 582 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : B 585 ASN : amide:sc= -1.12 K(o=-1.1,f=-11!) USER MOD Single : B 589 LYS NZ :NH3+ 147:sc= 1.24 (180deg=0.928) USER MOD Single : B 590 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.04) USER MOD Single : B 595 LYS NZ :NH3+ 135:sc= 0.446 (180deg=0.114) USER MOD Single : B 596 THR OG1 : rot -131:sc= -0.948! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 70:sc= -0.947! USER MOD Single : B 606 SER OG : rot 124:sc= 2.5 USER MOD Single : B 607 ASN : amide:sc= 1.02 K(o=1,f=-0.14) 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 615 THR OG1 : rot 180:sc= -2.05! USER MOD Single : B 623 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.2!) USER MOD Single : B 631 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : B 637 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 640 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.44) 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= -11.5! C(o=-17!,f=-12!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.719 USER MOD Single : B 661 CYS SG : rot 63:sc= 0.488 USER MOD Single : B 662 CYS SG : rot 23:sc= -2.98! USER MOD Single : B 668 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.4!) USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ -167:sc= -0.026 (180deg=-0.19) USER MOD Single : B 678 SER OG : rot 180:sc= -1.07 USER MOD Single : B 683 CYS SG : rot 145:sc= -2.91! USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 34 -17.864 -3.595 -6.670 1.00 0.00 N ATOM 2 CA VAL A 34 -16.669 -3.789 -5.821 1.00 0.00 C ATOM 3 C VAL A 34 -15.461 -4.118 -6.685 1.00 0.00 C ATOM 4 O VAL A 34 -15.589 -4.703 -7.762 1.00 0.00 O ATOM 5 CB VAL A 34 -16.884 -4.928 -4.800 1.00 0.00 C ATOM 6 CG1 VAL A 34 -15.737 -5.011 -3.810 1.00 0.00 C ATOM 7 CG2 VAL A 34 -18.213 -4.767 -4.081 1.00 0.00 C ATOM 0 HA VAL A 34 -16.496 -2.860 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.908 -5.867 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.921 -5.823 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.807 -5.199 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.658 -4.070 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.342 -5.581 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.227 -3.814 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -19.025 -4.790 -4.808 1.00 0.00 H new ATOM 19 N PHE A 35 -14.295 -3.740 -6.198 1.00 0.00 N ATOM 20 CA PHE A 35 -13.047 -3.947 -6.912 1.00 0.00 C ATOM 21 C PHE A 35 -12.254 -5.067 -6.266 1.00 0.00 C ATOM 22 O PHE A 35 -12.495 -5.414 -5.103 1.00 0.00 O ATOM 23 CB PHE A 35 -12.204 -2.670 -6.890 1.00 0.00 C ATOM 24 CG PHE A 35 -12.804 -1.531 -7.651 1.00 0.00 C ATOM 25 CD1 PHE A 35 -13.653 -0.638 -7.026 1.00 0.00 C ATOM 26 CD2 PHE A 35 -12.510 -1.348 -8.990 1.00 0.00 C ATOM 27 CE1 PHE A 35 -14.197 0.416 -7.721 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.054 -0.293 -9.694 1.00 0.00 C ATOM 29 CZ PHE A 35 -13.899 0.591 -9.058 1.00 0.00 C ATOM 0 H PHE A 35 -14.185 -3.280 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.284 -4.211 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.055 -2.363 -5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.219 -2.890 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.892 -0.769 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.847 -2.039 -9.490 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -14.858 1.108 -7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.818 -0.160 -10.740 1.00 0.00 H new ATOM 0 HZ PHE A 35 -14.327 1.419 -9.604 1.00 0.00 H new ATOM 39 N PRO A 36 -11.310 -5.661 -7.012 1.00 0.00 N ATOM 40 CA PRO A 36 -10.324 -6.566 -6.435 1.00 0.00 C ATOM 41 C PRO A 36 -9.544 -5.847 -5.348 1.00 0.00 C ATOM 42 O PRO A 36 -9.272 -4.648 -5.460 1.00 0.00 O ATOM 43 CB PRO A 36 -9.410 -6.919 -7.612 1.00 0.00 C ATOM 44 CG PRO A 36 -10.227 -6.645 -8.827 1.00 0.00 C ATOM 45 CD PRO A 36 -11.131 -5.503 -8.467 1.00 0.00 C ATOM 0 HA PRO A 36 -10.768 -7.449 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -8.502 -6.316 -7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.099 -7.963 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.592 -6.388 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.804 -7.524 -9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.683 -4.541 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.081 -5.559 -8.998 1.00 0.00 H new ATOM 53 N TRP A 37 -9.198 -6.574 -4.297 1.00 0.00 N ATOM 54 CA TRP A 37 -8.577 -5.986 -3.120 1.00 0.00 C ATOM 55 C TRP A 37 -7.268 -5.256 -3.431 1.00 0.00 C ATOM 56 O TRP A 37 -6.768 -4.496 -2.600 1.00 0.00 O ATOM 57 CB TRP A 37 -8.370 -7.044 -2.035 1.00 0.00 C ATOM 58 CG TRP A 37 -7.820 -8.355 -2.522 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.469 -9.291 -3.280 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.529 -8.894 -2.247 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.649 -10.361 -3.508 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.457 -10.146 -2.882 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.424 -8.441 -1.532 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.329 -10.947 -2.822 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.304 -9.240 -1.474 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.263 -10.480 -2.114 1.00 0.00 C ATOM 0 H TRP A 37 -9.339 -7.582 -4.235 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.267 -5.228 -2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.694 -6.641 -1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.324 -7.228 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.481 -9.198 -3.645 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.890 -11.186 -4.057 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.445 -7.483 -1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.296 -11.906 -3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.440 -8.901 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.368 -11.081 -2.046 1.00 0.00 H new ATOM 77 N HIS A 38 -6.720 -5.458 -4.626 1.00 0.00 N ATOM 78 CA HIS A 38 -5.559 -4.694 -5.062 1.00 0.00 C ATOM 79 C HIS A 38 -6.005 -3.316 -5.564 1.00 0.00 C ATOM 80 O HIS A 38 -5.682 -2.902 -6.674 1.00 0.00 O ATOM 81 CB HIS A 38 -4.801 -5.447 -6.161 1.00 0.00 C ATOM 82 CG HIS A 38 -3.410 -4.934 -6.426 1.00 0.00 C ATOM 83 ND1 HIS A 38 -2.238 -5.209 -5.807 1.00 0.00 N flip ATOM 84 CD2 HIS A 38 -3.100 -4.082 -7.462 1.00 0.00 C flip ATOM 85 CE1 HIS A 38 -1.248 -4.531 -6.475 1.00 0.00 C flip ATOM 86 NE2 HIS A 38 -1.798 -3.858 -7.471 1.00 0.00 N flip ATOM 0 H HIS A 38 -7.060 -6.140 -5.304 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.885 -4.561 -4.216 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.740 -6.500 -5.886 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.377 -5.392 -7.085 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.810 -3.662 -8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.197 -4.545 -6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.300 -3.265 -8.135 1.00 0.00 H new ATOM 95 N SER A 39 -6.766 -2.623 -4.731 1.00 0.00 N ATOM 96 CA SER A 39 -7.306 -1.315 -5.073 1.00 0.00 C ATOM 97 C SER A 39 -6.615 -0.234 -4.245 1.00 0.00 C ATOM 98 O SER A 39 -6.801 0.961 -4.469 1.00 0.00 O ATOM 99 CB SER A 39 -8.823 -1.316 -4.819 1.00 0.00 C ATOM 100 OG SER A 39 -9.390 -0.023 -4.953 1.00 0.00 O ATOM 0 H SER A 39 -7.027 -2.950 -3.801 1.00 0.00 H new ATOM 0 HA SER A 39 -7.124 -1.101 -6.126 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.306 -1.997 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.022 -1.696 -3.817 1.00 0.00 H new ATOM 0 HG SER A 39 -9.184 0.334 -5.842 1.00 0.00 H new ATOM 106 N LEU A 40 -5.817 -0.679 -3.286 1.00 0.00 N ATOM 107 CA LEU A 40 -5.157 0.211 -2.336 1.00 0.00 C ATOM 108 C LEU A 40 -3.779 -0.334 -1.973 1.00 0.00 C ATOM 109 O LEU A 40 -2.881 0.423 -1.612 1.00 0.00 O ATOM 110 CB LEU A 40 -6.014 0.381 -1.074 1.00 0.00 C ATOM 111 CG LEU A 40 -7.097 -0.684 -0.865 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.362 -0.893 0.609 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.391 -0.279 -1.557 1.00 0.00 C ATOM 0 H LEU A 40 -5.607 -1.667 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.035 1.188 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.355 0.380 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.493 1.359 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.736 -1.616 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.134 -1.652 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.446 -1.221 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.698 0.043 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.146 -1.049 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.743 0.667 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.212 -0.165 -2.626 1.00 0.00 H new ATOM 125 N VAL A 41 -3.618 -1.656 -2.060 1.00 0.00 N ATOM 126 CA VAL A 41 -2.325 -2.275 -1.857 1.00 0.00 C ATOM 127 C VAL A 41 -1.479 -2.149 -3.125 1.00 0.00 C ATOM 128 O VAL A 41 -1.893 -2.572 -4.206 1.00 0.00 O ATOM 129 CB VAL A 41 -2.467 -3.762 -1.450 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.244 -4.565 -2.485 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.105 -4.371 -1.218 1.00 0.00 C ATOM 0 H VAL A 41 -4.372 -2.310 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.826 -1.754 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.036 -3.797 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.320 -5.602 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.244 -4.146 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.725 -4.523 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.218 -5.417 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.517 -4.306 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.596 -3.830 -0.421 1.00 0.00 H new ATOM 141 N PRO A 42 -0.302 -1.524 -3.016 1.00 0.00 N ATOM 142 CA PRO A 42 0.580 -1.289 -4.149 1.00 0.00 C ATOM 143 C PRO A 42 1.659 -2.357 -4.314 1.00 0.00 C ATOM 144 O PRO A 42 1.631 -3.410 -3.672 1.00 0.00 O ATOM 145 CB PRO A 42 1.219 0.034 -3.756 1.00 0.00 C ATOM 146 CG PRO A 42 1.373 -0.056 -2.274 1.00 0.00 C ATOM 147 CD PRO A 42 0.261 -0.951 -1.778 1.00 0.00 C ATOM 0 HA PRO A 42 0.047 -1.298 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.182 0.172 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.591 0.879 -4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.348 -0.466 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.309 0.932 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.638 -1.727 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.488 -0.389 -1.220 1.00 0.00 H new ATOM 155 N PHE A 43 2.597 -2.070 -5.202 1.00 0.00 N ATOM 156 CA PHE A 43 3.800 -2.865 -5.362 1.00 0.00 C ATOM 157 C PHE A 43 4.979 -1.908 -5.479 1.00 0.00 C ATOM 158 O PHE A 43 5.007 -1.074 -6.388 1.00 0.00 O ATOM 159 CB PHE A 43 3.697 -3.759 -6.602 1.00 0.00 C ATOM 160 CG PHE A 43 4.799 -4.775 -6.713 1.00 0.00 C ATOM 161 CD1 PHE A 43 4.763 -5.937 -5.957 1.00 0.00 C ATOM 162 CD2 PHE A 43 5.867 -4.573 -7.571 1.00 0.00 C ATOM 163 CE1 PHE A 43 5.771 -6.875 -6.055 1.00 0.00 C ATOM 164 CE2 PHE A 43 6.878 -5.509 -7.673 1.00 0.00 C ATOM 165 CZ PHE A 43 6.830 -6.661 -6.914 1.00 0.00 C ATOM 0 H PHE A 43 2.543 -1.273 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 43 3.935 -3.522 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.738 -4.277 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.704 -3.131 -7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.937 -6.110 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.910 -3.674 -8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.731 -7.775 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.705 -5.340 -8.346 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.620 -7.394 -6.992 1.00 0.00 H new ATOM 175 N LEU A 44 5.928 -2.003 -4.545 1.00 0.00 N ATOM 176 CA LEU A 44 6.939 -0.961 -4.362 1.00 0.00 C ATOM 177 C LEU A 44 7.683 -0.617 -5.643 1.00 0.00 C ATOM 178 O LEU A 44 7.886 0.555 -5.940 1.00 0.00 O ATOM 179 CB LEU A 44 7.889 -1.286 -3.168 1.00 0.00 C ATOM 180 CG LEU A 44 8.947 -2.416 -3.300 1.00 0.00 C ATOM 181 CD1 LEU A 44 8.371 -3.719 -3.822 1.00 0.00 C ATOM 182 CD2 LEU A 44 10.118 -1.980 -4.153 1.00 0.00 C ATOM 0 H LEU A 44 6.017 -2.791 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 44 6.404 -0.049 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.424 -0.369 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.261 -1.529 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 44 9.300 -2.609 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.163 -4.465 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.596 -4.073 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.940 -3.556 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.839 -2.794 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.764 -1.720 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.595 -1.111 -3.699 1.00 0.00 H new ATOM 194 N ALA A 45 7.994 -1.636 -6.406 1.00 0.00 N ATOM 195 CA ALA A 45 8.738 -1.521 -7.660 1.00 0.00 C ATOM 196 C ALA A 45 9.244 -2.893 -8.067 1.00 0.00 C ATOM 197 O ALA A 45 9.413 -3.763 -7.209 1.00 0.00 O ATOM 198 CB ALA A 45 9.926 -0.578 -7.516 1.00 0.00 C ATOM 0 H ALA A 45 7.736 -2.596 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 45 8.067 -1.118 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.458 -0.515 -8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.572 0.413 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.600 -0.956 -6.747 1.00 0.00 H new ATOM 204 N PRO A 46 9.470 -3.122 -9.371 1.00 0.00 N ATOM 205 CA PRO A 46 10.119 -4.343 -9.850 1.00 0.00 C ATOM 206 C PRO A 46 11.488 -4.503 -9.200 1.00 0.00 C ATOM 207 O PRO A 46 12.471 -3.901 -9.636 1.00 0.00 O ATOM 208 CB PRO A 46 10.249 -4.130 -11.364 1.00 0.00 C ATOM 209 CG PRO A 46 10.024 -2.671 -11.582 1.00 0.00 C ATOM 210 CD PRO A 46 9.110 -2.223 -10.479 1.00 0.00 C ATOM 0 HA PRO A 46 9.558 -5.246 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.234 -4.433 -11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.516 -4.726 -11.908 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.966 -2.123 -11.555 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.576 -2.487 -12.559 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.272 -1.177 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.061 -2.324 -10.757 1.00 0.00 H new ATOM 218 N SER A 47 11.537 -5.302 -8.144 1.00 0.00 N ATOM 219 CA SER A 47 12.717 -5.395 -7.306 1.00 0.00 C ATOM 220 C SER A 47 13.876 -6.025 -8.075 1.00 0.00 C ATOM 221 O SER A 47 13.742 -7.106 -8.649 1.00 0.00 O ATOM 222 CB SER A 47 12.382 -6.195 -6.044 1.00 0.00 C ATOM 223 OG SER A 47 11.116 -5.806 -5.528 1.00 0.00 O ATOM 0 H SER A 47 10.765 -5.899 -7.848 1.00 0.00 H new ATOM 0 HA SER A 47 13.031 -4.394 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.376 -7.261 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.153 -6.035 -5.290 1.00 0.00 H new ATOM 0 HG SER A 47 10.632 -6.599 -5.217 1.00 0.00 H new ATOM 229 N GLN A 48 14.997 -5.317 -8.112 1.00 0.00 N ATOM 230 CA GLN A 48 16.169 -5.764 -8.839 1.00 0.00 C ATOM 231 C GLN A 48 16.897 -6.853 -8.062 1.00 0.00 C ATOM 232 O GLN A 48 16.784 -8.034 -8.446 1.00 0.00 O ATOM 233 CB GLN A 48 17.101 -4.582 -9.103 1.00 0.00 C ATOM 234 CG GLN A 48 18.315 -4.938 -9.942 1.00 0.00 C ATOM 235 CD GLN A 48 19.231 -3.754 -10.178 1.00 0.00 C ATOM 236 OE1 GLN A 48 19.287 -2.845 -9.218 1.00 0.00 O flip ATOM 237 NE2 GLN A 48 19.892 -3.659 -11.214 1.00 0.00 N flip ATOM 238 OXT GLN A 48 17.561 -6.524 -7.058 1.00 0.00 O ATOM 0 H GLN A 48 15.116 -4.421 -7.640 1.00 0.00 H new ATOM 0 HA GLN A 48 15.851 -6.182 -9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.541 -3.794 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 48 17.436 -4.175 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 48 18.874 -5.731 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.984 -5.333 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.822 -4.381 -11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.509 -2.859 -11.354 1.00 0.00 H new TER 247 GLN A 48 ATOM 248 N ALA B 567 -24.080 5.049 6.191 1.00 0.00 N ATOM 249 CA ALA B 567 -23.062 5.929 5.579 1.00 0.00 C ATOM 250 C ALA B 567 -23.094 5.798 4.062 1.00 0.00 C ATOM 251 O ALA B 567 -23.153 4.690 3.529 1.00 0.00 O ATOM 252 CB ALA B 567 -21.679 5.591 6.110 1.00 0.00 C ATOM 0 HA ALA B 567 -23.291 6.961 5.845 1.00 0.00 H new ATOM 0 HB1 ALA B 567 -20.942 6.248 5.649 1.00 0.00 H new ATOM 0 HB2 ALA B 567 -21.661 5.727 7.191 1.00 0.00 H new ATOM 0 HB3 ALA B 567 -21.441 4.555 5.871 1.00 0.00 H new ATOM 258 N PRO B 568 -23.055 6.929 3.346 1.00 0.00 N ATOM 259 CA PRO B 568 -23.121 6.942 1.886 1.00 0.00 C ATOM 260 C PRO B 568 -21.776 6.602 1.248 1.00 0.00 C ATOM 261 O PRO B 568 -20.729 6.689 1.899 1.00 0.00 O ATOM 262 CB PRO B 568 -23.522 8.386 1.579 1.00 0.00 C ATOM 263 CG PRO B 568 -22.955 9.189 2.699 1.00 0.00 C ATOM 264 CD PRO B 568 -22.928 8.288 3.907 1.00 0.00 C ATOM 0 HA PRO B 568 -23.813 6.199 1.489 1.00 0.00 H new ATOM 0 HB2 PRO B 568 -23.122 8.711 0.618 1.00 0.00 H new ATOM 0 HB3 PRO B 568 -24.606 8.492 1.526 1.00 0.00 H new ATOM 0 HG2 PRO B 568 -21.952 9.539 2.455 1.00 0.00 H new ATOM 0 HG3 PRO B 568 -23.564 10.073 2.889 1.00 0.00 H new ATOM 0 HD2 PRO B 568 -22.001 8.402 4.469 1.00 0.00 H new ATOM 0 HD3 PRO B 568 -23.745 8.515 4.592 1.00 0.00 H new ATOM 272 N PRO B 569 -21.789 6.191 -0.033 1.00 0.00 N ATOM 273 CA PRO B 569 -20.569 5.869 -0.776 1.00 0.00 C ATOM 274 C PRO B 569 -19.808 7.128 -1.187 1.00 0.00 C ATOM 275 O PRO B 569 -19.737 7.476 -2.370 1.00 0.00 O ATOM 276 CB PRO B 569 -21.095 5.122 -2.004 1.00 0.00 C ATOM 277 CG PRO B 569 -22.464 5.664 -2.218 1.00 0.00 C ATOM 278 CD PRO B 569 -23.002 5.998 -0.854 1.00 0.00 C ATOM 0 HA PRO B 569 -19.860 5.288 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO B 569 -20.461 5.294 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO B 569 -21.117 4.046 -1.833 1.00 0.00 H new ATOM 0 HG2 PRO B 569 -22.437 6.549 -2.853 1.00 0.00 H new ATOM 0 HG3 PRO B 569 -23.098 4.932 -2.718 1.00 0.00 H new ATOM 0 HD2 PRO B 569 -23.617 6.898 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO B 569 -23.626 5.195 -0.463 1.00 0.00 H new ATOM 286 N THR B 570 -19.256 7.810 -0.189 1.00 0.00 N ATOM 287 CA THR B 570 -18.525 9.045 -0.399 1.00 0.00 C ATOM 288 C THR B 570 -17.297 8.823 -1.270 1.00 0.00 C ATOM 289 O THR B 570 -16.583 7.836 -1.099 1.00 0.00 O ATOM 290 CB THR B 570 -18.096 9.656 0.947 1.00 0.00 C ATOM 291 OG1 THR B 570 -17.490 8.652 1.775 1.00 0.00 O ATOM 292 CG2 THR B 570 -19.288 10.261 1.669 1.00 0.00 C ATOM 0 H THR B 570 -19.305 7.518 0.787 1.00 0.00 H new ATOM 0 HA THR B 570 -19.194 9.735 -0.913 1.00 0.00 H new ATOM 0 HB THR B 570 -17.371 10.445 0.746 1.00 0.00 H new ATOM 0 HG1 THR B 570 -17.047 7.985 1.210 1.00 0.00 H new ATOM 0 HG21 THR B 570 -18.961 10.687 2.618 1.00 0.00 H new ATOM 0 HG22 THR B 570 -19.728 11.045 1.052 1.00 0.00 H new ATOM 0 HG23 THR B 570 -20.032 9.486 1.856 1.00 0.00 H new ATOM 300 N LEU B 571 -17.055 9.766 -2.177 1.00 0.00 N ATOM 301 CA LEU B 571 -15.984 9.694 -3.138 1.00 0.00 C ATOM 302 C LEU B 571 -16.082 8.448 -4.031 1.00 0.00 C ATOM 303 O LEU B 571 -16.868 7.540 -3.764 1.00 0.00 O ATOM 304 CB LEU B 571 -14.666 9.743 -2.402 1.00 0.00 C ATOM 305 CG LEU B 571 -14.386 11.033 -1.633 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.534 10.811 -0.136 1.00 0.00 C ATOM 307 CD2 LEU B 571 -12.999 11.545 -1.965 1.00 0.00 C ATOM 0 H LEU B 571 -17.616 10.614 -2.257 1.00 0.00 H new ATOM 0 HA LEU B 571 -16.061 10.549 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -14.631 8.909 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -13.862 9.589 -3.122 1.00 0.00 H new ATOM 0 HG LEU B 571 -15.116 11.784 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -14.330 11.743 0.392 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -15.550 10.484 0.085 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -13.828 10.047 0.190 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -12.809 12.465 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -12.258 10.795 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -12.931 11.744 -3.035 1.00 0.00 H new ATOM 319 N PRO B 572 -15.334 8.423 -5.149 1.00 0.00 N ATOM 320 CA PRO B 572 -15.217 7.236 -6.003 1.00 0.00 C ATOM 321 C PRO B 572 -14.990 5.938 -5.213 1.00 0.00 C ATOM 322 O PRO B 572 -14.395 5.937 -4.135 1.00 0.00 O ATOM 323 CB PRO B 572 -14.012 7.564 -6.875 1.00 0.00 C ATOM 324 CG PRO B 572 -14.064 9.044 -7.020 1.00 0.00 C ATOM 325 CD PRO B 572 -14.595 9.570 -5.713 1.00 0.00 C ATOM 0 HA PRO B 572 -16.133 7.044 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.082 7.241 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.072 7.066 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.075 9.450 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.711 9.333 -7.849 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.789 9.891 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.246 10.431 -5.863 1.00 0.00 H new ATOM 333 N PRO B 573 -15.454 4.812 -5.773 1.00 0.00 N ATOM 334 CA PRO B 573 -15.480 3.504 -5.094 1.00 0.00 C ATOM 335 C PRO B 573 -14.125 2.806 -5.062 1.00 0.00 C ATOM 336 O PRO B 573 -13.989 1.697 -4.544 1.00 0.00 O ATOM 337 CB PRO B 573 -16.448 2.710 -5.955 1.00 0.00 C ATOM 338 CG PRO B 573 -16.235 3.259 -7.318 1.00 0.00 C ATOM 339 CD PRO B 573 -15.998 4.726 -7.136 1.00 0.00 C ATOM 0 HA PRO B 573 -15.761 3.601 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.236 1.642 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.479 2.843 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.383 2.783 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.103 3.079 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.297 5.115 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -16.920 5.299 -7.238 1.00 0.00 H new ATOM 347 N TYR B 574 -13.140 3.437 -5.655 1.00 0.00 N ATOM 348 CA TYR B 574 -11.786 2.898 -5.658 1.00 0.00 C ATOM 349 C TYR B 574 -10.978 3.443 -4.472 1.00 0.00 C ATOM 350 O TYR B 574 -10.584 4.605 -4.462 1.00 0.00 O ATOM 351 CB TYR B 574 -11.124 3.228 -6.993 1.00 0.00 C ATOM 352 CG TYR B 574 -9.754 2.624 -7.213 1.00 0.00 C ATOM 353 CD1 TYR B 574 -9.617 1.319 -7.664 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.603 3.369 -6.995 1.00 0.00 C ATOM 355 CE1 TYR B 574 -8.370 0.769 -7.887 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.352 2.826 -7.213 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.241 1.527 -7.659 1.00 0.00 C ATOM 358 OH TYR B 574 -5.997 0.982 -7.876 1.00 0.00 O ATOM 0 H TYR B 574 -13.243 4.326 -6.144 1.00 0.00 H new ATOM 0 HA TYR B 574 -11.822 1.815 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.781 2.894 -7.796 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.041 4.311 -7.079 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -10.500 0.724 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.687 4.389 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -8.280 -0.248 -8.238 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.465 3.416 -7.035 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.308 1.647 -7.669 1.00 0.00 H new ATOM 368 N PHE B 575 -10.796 2.574 -3.468 1.00 0.00 N ATOM 369 CA PHE B 575 -10.030 2.819 -2.223 1.00 0.00 C ATOM 370 C PHE B 575 -10.505 4.002 -1.379 1.00 0.00 C ATOM 371 O PHE B 575 -10.113 4.108 -0.227 1.00 0.00 O ATOM 372 CB PHE B 575 -8.507 2.925 -2.456 1.00 0.00 C ATOM 373 CG PHE B 575 -7.967 4.309 -2.726 1.00 0.00 C ATOM 374 CD1 PHE B 575 -7.643 5.152 -1.674 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.772 4.759 -4.019 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.143 6.414 -1.907 1.00 0.00 C ATOM 377 CE2 PHE B 575 -7.272 6.024 -4.260 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.960 6.852 -3.200 1.00 0.00 C ATOM 0 H PHE B 575 -11.195 1.636 -3.496 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.240 1.921 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -7.998 2.524 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.244 2.285 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -7.785 4.814 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -8.014 4.114 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -6.895 7.059 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -7.126 6.364 -5.274 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.572 7.843 -3.385 1.00 0.00 H new ATOM 388 N MET B 576 -11.328 4.881 -1.907 1.00 0.00 N ATOM 389 CA MET B 576 -11.705 6.075 -1.162 1.00 0.00 C ATOM 390 C MET B 576 -12.683 5.728 -0.041 1.00 0.00 C ATOM 391 O MET B 576 -13.209 4.619 0.011 1.00 0.00 O ATOM 392 CB MET B 576 -12.257 7.135 -2.108 1.00 0.00 C ATOM 393 CG MET B 576 -11.301 7.421 -3.243 1.00 0.00 C ATOM 394 SD MET B 576 -11.770 8.825 -4.265 1.00 0.00 S ATOM 395 CE MET B 576 -10.625 8.608 -5.625 1.00 0.00 C ATOM 0 H MET B 576 -11.746 4.800 -2.834 1.00 0.00 H new ATOM 0 HA MET B 576 -10.818 6.494 -0.687 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.213 6.801 -2.512 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.449 8.054 -1.554 1.00 0.00 H new ATOM 0 HG2 MET B 576 -10.308 7.602 -2.830 1.00 0.00 H new ATOM 0 HG3 MET B 576 -11.228 6.535 -3.874 1.00 0.00 H new ATOM 0 HE1 MET B 576 -10.036 9.516 -5.753 1.00 0.00 H new ATOM 0 HE2 MET B 576 -9.960 7.771 -5.411 1.00 0.00 H new ATOM 0 HE3 MET B 576 -11.181 8.404 -6.540 1.00 0.00 H new ATOM 405 N LYS B 577 -12.905 6.669 0.863 1.00 0.00 N ATOM 406 CA LYS B 577 -13.625 6.393 2.106 1.00 0.00 C ATOM 407 C LYS B 577 -15.022 5.823 1.865 1.00 0.00 C ATOM 408 O LYS B 577 -15.874 6.465 1.254 1.00 0.00 O ATOM 409 CB LYS B 577 -13.731 7.670 2.942 1.00 0.00 C ATOM 410 CG LYS B 577 -14.343 7.457 4.318 1.00 0.00 C ATOM 411 CD LYS B 577 -14.567 8.778 5.037 1.00 0.00 C ATOM 412 CE LYS B 577 -15.170 8.572 6.417 1.00 0.00 C ATOM 413 NZ LYS B 577 -15.356 9.860 7.138 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.597 7.636 0.763 1.00 0.00 H new ATOM 0 HA LYS B 577 -13.053 5.636 2.643 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.736 8.099 3.060 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.330 8.400 2.398 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -15.292 6.930 4.218 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.688 6.823 4.915 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.619 9.307 5.130 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -15.227 9.409 4.442 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -16.131 8.067 6.322 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -14.523 7.918 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -15.769 9.677 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -14.435 10.330 7.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -15.994 10.474 6.592 1.00 0.00 H new ATOM 427 N GLY B 578 -15.244 4.615 2.371 1.00 0.00 N ATOM 428 CA GLY B 578 -16.548 3.989 2.279 1.00 0.00 C ATOM 429 C GLY B 578 -16.637 2.975 1.161 1.00 0.00 C ATOM 430 O GLY B 578 -17.628 2.251 1.053 1.00 0.00 O ATOM 0 H GLY B 578 -14.537 4.055 2.847 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.778 3.500 3.225 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.305 4.758 2.126 1.00 0.00 H new ATOM 434 N SER B 579 -15.604 2.920 0.339 1.00 0.00 N ATOM 435 CA SER B 579 -15.550 1.962 -0.752 1.00 0.00 C ATOM 436 C SER B 579 -15.488 0.538 -0.220 1.00 0.00 C ATOM 437 O SER B 579 -14.814 0.259 0.779 1.00 0.00 O ATOM 438 CB SER B 579 -14.337 2.247 -1.631 1.00 0.00 C ATOM 439 OG SER B 579 -14.349 3.591 -2.079 1.00 0.00 O ATOM 0 H SER B 579 -14.789 3.529 0.406 1.00 0.00 H new ATOM 0 HA SER B 579 -16.457 2.064 -1.347 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.422 2.053 -1.071 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.336 1.573 -2.487 1.00 0.00 H new ATOM 0 HG SER B 579 -14.172 4.189 -1.323 1.00 0.00 H new ATOM 445 N ILE B 580 -16.217 -0.351 -0.870 1.00 0.00 N ATOM 446 CA ILE B 580 -16.181 -1.757 -0.527 1.00 0.00 C ATOM 447 C ILE B 580 -15.036 -2.443 -1.250 1.00 0.00 C ATOM 448 O ILE B 580 -14.934 -2.386 -2.478 1.00 0.00 O ATOM 449 CB ILE B 580 -17.520 -2.452 -0.859 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.605 -2.005 0.124 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.374 -3.968 -0.847 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.283 -2.320 1.572 1.00 0.00 C ATOM 0 H ILE B 580 -16.843 -0.121 -1.641 1.00 0.00 H new ATOM 0 HA ILE B 580 -16.022 -1.837 0.548 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.816 -2.157 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.757 -0.931 0.020 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.546 -2.487 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.333 -4.428 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.634 -4.268 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.050 -4.294 0.141 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -19.097 -1.974 2.209 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.161 -3.396 1.692 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.360 -1.816 1.857 1.00 0.00 H new ATOM 464 N ILE B 581 -14.159 -3.061 -0.478 1.00 0.00 N ATOM 465 CA ILE B 581 -13.013 -3.760 -1.026 1.00 0.00 C ATOM 466 C ILE B 581 -13.204 -5.261 -0.848 1.00 0.00 C ATOM 467 O ILE B 581 -13.464 -5.727 0.265 1.00 0.00 O ATOM 468 CB ILE B 581 -11.707 -3.325 -0.327 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.659 -1.802 -0.149 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.499 -3.797 -1.110 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.731 -1.011 -1.437 1.00 0.00 C ATOM 0 H ILE B 581 -14.221 -3.092 0.540 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.935 -3.513 -2.085 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.687 -3.787 0.660 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.485 -1.499 0.494 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.738 -1.540 0.371 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.589 -3.480 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.515 -4.884 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.523 -3.366 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.690 0.055 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.890 -1.279 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.665 -1.238 -1.952 1.00 0.00 H new ATOM 483 N GLN B 582 -13.105 -6.012 -1.936 1.00 0.00 N ATOM 484 CA GLN B 582 -13.304 -7.453 -1.872 1.00 0.00 C ATOM 485 C GLN B 582 -11.985 -8.182 -1.783 1.00 0.00 C ATOM 486 O GLN B 582 -11.138 -8.052 -2.662 1.00 0.00 O ATOM 487 CB GLN B 582 -14.063 -7.957 -3.088 1.00 0.00 C ATOM 488 CG GLN B 582 -14.318 -9.454 -3.053 1.00 0.00 C ATOM 489 CD GLN B 582 -14.939 -9.970 -4.330 1.00 0.00 C ATOM 490 OE1 GLN B 582 -14.234 -10.366 -5.260 1.00 0.00 O ATOM 491 NE2 GLN B 582 -16.258 -9.981 -4.384 1.00 0.00 N ATOM 0 H GLN B 582 -12.890 -5.652 -2.866 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.888 -7.653 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.017 -7.434 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.499 -7.711 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.377 -9.975 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.974 -9.687 -2.215 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.804 -9.644 -3.591 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.731 -10.327 -5.219 1.00 0.00 H new ATOM 500 N LEU B 583 -11.831 -8.966 -0.734 1.00 0.00 N ATOM 501 CA LEU B 583 -10.616 -9.724 -0.528 1.00 0.00 C ATOM 502 C LEU B 583 -10.663 -11.048 -1.277 1.00 0.00 C ATOM 503 O LEU B 583 -11.719 -11.439 -1.777 1.00 0.00 O ATOM 504 CB LEU B 583 -10.407 -9.950 0.959 1.00 0.00 C ATOM 505 CG LEU B 583 -10.336 -8.668 1.779 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.195 -8.995 3.247 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.188 -7.793 1.297 1.00 0.00 C ATOM 0 H LEU B 583 -12.537 -9.094 -0.009 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.774 -9.156 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.221 -10.567 1.340 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.485 -10.513 1.104 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.262 -8.110 1.644 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.145 -8.071 3.823 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -11.055 -9.580 3.574 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.283 -9.571 3.406 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.151 -6.881 1.893 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.248 -8.335 1.403 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.342 -7.536 0.249 1.00 0.00 H new ATOM 519 N ALA B 584 -9.534 -11.742 -1.350 1.00 0.00 N ATOM 520 CA ALA B 584 -9.448 -12.967 -2.137 1.00 0.00 C ATOM 521 C ALA B 584 -10.383 -14.035 -1.593 1.00 0.00 C ATOM 522 O ALA B 584 -10.972 -14.810 -2.349 1.00 0.00 O ATOM 523 CB ALA B 584 -8.024 -13.498 -2.171 1.00 0.00 C ATOM 0 H ALA B 584 -8.669 -11.480 -0.877 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.753 -12.721 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -7.990 -14.412 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.368 -12.751 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.691 -13.713 -1.155 1.00 0.00 H new ATOM 529 N ASN B 585 -10.534 -14.051 -0.275 1.00 0.00 N ATOM 530 CA ASN B 585 -11.376 -15.033 0.387 1.00 0.00 C ATOM 531 C ASN B 585 -12.855 -14.775 0.088 1.00 0.00 C ATOM 532 O ASN B 585 -13.708 -15.621 0.352 1.00 0.00 O ATOM 533 CB ASN B 585 -11.112 -15.037 1.896 1.00 0.00 C ATOM 534 CG ASN B 585 -11.517 -13.751 2.591 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.601 -12.690 1.973 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.731 -13.843 3.891 1.00 0.00 N ATOM 0 H ASN B 585 -10.081 -13.391 0.357 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.125 -16.019 -0.004 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.652 -15.869 2.348 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -10.051 -15.214 2.069 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.978 -13.011 4.427 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.649 -14.746 4.359 1.00 0.00 H new ATOM 543 N GLY B 586 -13.152 -13.603 -0.474 1.00 0.00 N ATOM 544 CA GLY B 586 -14.493 -13.323 -0.936 1.00 0.00 C ATOM 545 C GLY B 586 -15.299 -12.473 0.022 1.00 0.00 C ATOM 546 O GLY B 586 -16.515 -12.365 -0.123 1.00 0.00 O ATOM 0 H GLY B 586 -12.483 -12.846 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.438 -12.817 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.016 -14.265 -1.100 1.00 0.00 H new ATOM 550 N GLU B 587 -14.646 -11.860 1.000 1.00 0.00 N ATOM 551 CA GLU B 587 -15.367 -11.027 1.951 1.00 0.00 C ATOM 552 C GLU B 587 -15.203 -9.556 1.598 1.00 0.00 C ATOM 553 O GLU B 587 -14.224 -9.160 0.959 1.00 0.00 O ATOM 554 CB GLU B 587 -14.916 -11.294 3.391 1.00 0.00 C ATOM 555 CG GLU B 587 -13.535 -10.771 3.729 1.00 0.00 C ATOM 556 CD GLU B 587 -13.211 -10.925 5.201 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.857 -10.246 6.030 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -12.327 -11.737 5.540 1.00 0.00 O ATOM 0 H GLU B 587 -13.640 -11.921 1.154 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.424 -11.286 1.887 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -15.637 -10.843 4.073 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.937 -12.369 3.570 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.791 -11.304 3.137 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -13.469 -9.719 3.452 1.00 0.00 H new ATOM 565 N LEU B 588 -16.172 -8.756 2.009 1.00 0.00 N ATOM 566 CA LEU B 588 -16.208 -7.348 1.660 1.00 0.00 C ATOM 567 C LEU B 588 -16.021 -6.485 2.900 1.00 0.00 C ATOM 568 O LEU B 588 -16.822 -6.551 3.834 1.00 0.00 O ATOM 569 CB LEU B 588 -17.546 -7.025 0.999 1.00 0.00 C ATOM 570 CG LEU B 588 -17.924 -7.925 -0.179 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.318 -7.583 -0.673 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.910 -7.791 -1.306 1.00 0.00 C ATOM 0 H LEU B 588 -16.952 -9.063 2.591 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.395 -7.134 0.966 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.331 -7.091 1.753 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.522 -5.992 0.653 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.918 -8.961 0.161 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.576 -8.230 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -20.036 -7.731 0.134 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.344 -6.542 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.198 -8.439 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -16.881 -6.757 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.923 -8.081 -0.944 1.00 0.00 H new ATOM 584 N LYS B 589 -14.964 -5.688 2.917 1.00 0.00 N ATOM 585 CA LYS B 589 -14.680 -4.823 4.052 1.00 0.00 C ATOM 586 C LYS B 589 -14.474 -3.391 3.576 1.00 0.00 C ATOM 587 O LYS B 589 -14.020 -3.162 2.453 1.00 0.00 O ATOM 588 CB LYS B 589 -13.431 -5.323 4.789 1.00 0.00 C ATOM 589 CG LYS B 589 -13.471 -6.816 5.092 1.00 0.00 C ATOM 590 CD LYS B 589 -12.190 -7.330 5.744 1.00 0.00 C ATOM 591 CE LYS B 589 -12.100 -6.965 7.219 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.300 -5.736 7.448 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.287 -5.622 2.156 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.526 -4.845 4.739 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.549 -5.105 4.186 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.323 -4.772 5.723 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.315 -7.025 5.749 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.645 -7.364 4.166 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.141 -8.414 5.638 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.328 -6.919 5.218 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -13.104 -6.821 7.617 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.654 -7.794 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.684 -5.219 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -10.311 -5.996 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.344 -5.131 6.603 1.00 0.00 H new ATOM 606 N LYS B 590 -14.834 -2.431 4.420 1.00 0.00 N ATOM 607 CA LYS B 590 -14.645 -1.025 4.099 1.00 0.00 C ATOM 608 C LYS B 590 -13.169 -0.663 4.140 1.00 0.00 C ATOM 609 O LYS B 590 -12.448 -1.131 5.025 1.00 0.00 O ATOM 610 CB LYS B 590 -15.423 -0.142 5.076 1.00 0.00 C ATOM 611 CG LYS B 590 -16.927 -0.248 4.934 1.00 0.00 C ATOM 612 CD LYS B 590 -17.477 0.800 3.984 1.00 0.00 C ATOM 613 CE LYS B 590 -18.961 0.596 3.759 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.560 1.693 2.956 1.00 0.00 N1+ ATOM 0 H LYS B 590 -15.258 -2.603 5.332 1.00 0.00 H new ATOM 0 HA LYS B 590 -15.023 -0.853 3.091 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -15.144 -0.411 6.095 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -15.126 0.896 4.928 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -17.189 -1.242 4.571 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -17.394 -0.133 5.912 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -17.300 1.795 4.391 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.949 0.747 3.032 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -19.123 -0.355 3.251 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -19.468 0.533 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.440 1.359 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.769 2.502 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.891 1.987 2.216 1.00 0.00 H new ATOM 628 N VAL B 591 -12.726 0.155 3.188 1.00 0.00 N ATOM 629 CA VAL B 591 -11.303 0.492 3.045 1.00 0.00 C ATOM 630 C VAL B 591 -10.674 0.846 4.380 1.00 0.00 C ATOM 631 O VAL B 591 -9.619 0.334 4.763 1.00 0.00 O ATOM 632 CB VAL B 591 -11.080 1.727 2.162 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.650 1.758 1.664 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.076 1.811 1.024 1.00 0.00 C ATOM 0 H VAL B 591 -13.332 0.601 2.499 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.854 -0.397 2.603 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.252 2.612 2.775 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.502 2.638 1.038 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.969 1.798 2.514 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.448 0.860 1.080 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.875 2.702 0.430 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.984 0.926 0.394 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.087 1.865 1.428 1.00 0.00 H new ATOM 644 N GLU B 592 -11.379 1.712 5.079 1.00 0.00 N ATOM 645 CA GLU B 592 -10.879 2.399 6.254 1.00 0.00 C ATOM 646 C GLU B 592 -10.543 1.462 7.413 1.00 0.00 C ATOM 647 O GLU B 592 -9.870 1.867 8.360 1.00 0.00 O ATOM 648 CB GLU B 592 -11.933 3.416 6.691 1.00 0.00 C ATOM 649 CG GLU B 592 -13.312 2.801 6.884 1.00 0.00 C ATOM 650 CD GLU B 592 -14.425 3.824 6.845 1.00 0.00 C ATOM 651 OE1 GLU B 592 -14.755 4.299 5.741 1.00 0.00 O ATOM 652 OE2 GLU B 592 -14.983 4.141 7.915 1.00 0.00 O1- ATOM 0 H GLU B 592 -12.338 1.964 4.841 1.00 0.00 H new ATOM 0 HA GLU B 592 -9.941 2.885 5.984 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -11.615 3.881 7.624 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -11.996 4.208 5.945 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -13.483 2.056 6.107 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -13.340 2.278 7.840 1.00 0.00 H new ATOM 659 N ASP B 593 -11.005 0.222 7.351 1.00 0.00 N ATOM 660 CA ASP B 593 -10.815 -0.695 8.465 1.00 0.00 C ATOM 661 C ASP B 593 -10.152 -1.999 8.015 1.00 0.00 C ATOM 662 O ASP B 593 -10.027 -2.952 8.789 1.00 0.00 O ATOM 663 CB ASP B 593 -12.163 -0.964 9.145 1.00 0.00 C ATOM 664 CG ASP B 593 -12.030 -1.746 10.434 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.412 -1.228 11.389 1.00 0.00 O1- ATOM 666 OD2 ASP B 593 -12.534 -2.887 10.496 1.00 0.00 O ATOM 0 H ASP B 593 -11.507 -0.168 6.554 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.141 -0.231 9.185 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.655 -0.014 9.352 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.807 -1.513 8.458 1.00 0.00 H new ATOM 671 N LEU B 594 -9.726 -2.042 6.761 1.00 0.00 N ATOM 672 CA LEU B 594 -8.945 -3.153 6.257 1.00 0.00 C ATOM 673 C LEU B 594 -7.660 -3.318 7.048 1.00 0.00 C ATOM 674 O LEU B 594 -6.887 -2.375 7.221 1.00 0.00 O ATOM 675 CB LEU B 594 -8.623 -2.933 4.790 1.00 0.00 C ATOM 676 CG LEU B 594 -9.822 -3.038 3.859 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.485 -2.464 2.509 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.253 -4.481 3.714 1.00 0.00 C ATOM 0 H LEU B 594 -9.912 -1.313 6.073 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.534 -4.064 6.367 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -8.174 -1.947 4.673 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.874 -3.663 4.482 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.645 -2.468 4.290 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.351 -2.545 1.852 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.210 -1.415 2.618 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.650 -3.015 2.077 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.112 -4.539 3.045 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.431 -5.066 3.301 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.527 -4.879 4.691 1.00 0.00 H new ATOM 690 N LYS B 595 -7.449 -4.522 7.532 1.00 0.00 N ATOM 691 CA LYS B 595 -6.266 -4.842 8.301 1.00 0.00 C ATOM 692 C LYS B 595 -5.262 -5.569 7.421 1.00 0.00 C ATOM 693 O LYS B 595 -5.629 -6.100 6.373 1.00 0.00 O ATOM 694 CB LYS B 595 -6.645 -5.697 9.512 1.00 0.00 C ATOM 695 CG LYS B 595 -7.559 -4.983 10.495 1.00 0.00 C ATOM 696 CD LYS B 595 -6.856 -3.809 11.160 1.00 0.00 C ATOM 697 CE LYS B 595 -7.792 -3.044 12.085 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.886 -2.372 11.338 1.00 0.00 N1+ ATOM 0 H LYS B 595 -8.090 -5.305 7.404 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.809 -3.921 8.661 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -7.136 -6.606 9.166 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.736 -6.003 10.030 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.448 -4.628 9.974 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.895 -5.686 11.257 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.999 -4.172 11.728 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.469 -3.136 10.395 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -8.220 -3.730 12.816 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.223 -2.300 12.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -9.790 -2.532 11.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.695 -1.351 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -8.940 -2.762 10.376 1.00 0.00 H new ATOM 712 N THR B 596 -4.007 -5.603 7.831 1.00 0.00 N ATOM 713 CA THR B 596 -2.978 -6.212 7.006 1.00 0.00 C ATOM 714 C THR B 596 -3.182 -7.720 6.911 1.00 0.00 C ATOM 715 O THR B 596 -2.985 -8.313 5.850 1.00 0.00 O ATOM 716 CB THR B 596 -1.560 -5.892 7.517 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.597 -6.478 6.649 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.344 -6.398 8.930 1.00 0.00 C ATOM 0 H THR B 596 -3.678 -5.222 8.718 1.00 0.00 H new ATOM 0 HA THR B 596 -3.071 -5.781 6.009 1.00 0.00 H new ATOM 0 HB THR B 596 -1.445 -4.808 7.528 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.063 -6.972 7.179 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.332 -6.153 9.254 1.00 0.00 H new ATOM 0 HG22 THR B 596 -2.064 -5.926 9.599 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.481 -7.479 8.954 1.00 0.00 H new ATOM 726 N GLU B 597 -3.629 -8.325 8.008 1.00 0.00 N ATOM 727 CA GLU B 597 -3.905 -9.756 8.047 1.00 0.00 C ATOM 728 C GLU B 597 -4.920 -10.141 6.977 1.00 0.00 C ATOM 729 O GLU B 597 -4.916 -11.266 6.478 1.00 0.00 O ATOM 730 CB GLU B 597 -4.431 -10.152 9.418 1.00 0.00 C ATOM 731 CG GLU B 597 -3.445 -9.909 10.545 1.00 0.00 C ATOM 732 CD GLU B 597 -4.115 -9.930 11.899 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.607 -8.870 12.336 1.00 0.00 O ATOM 734 OE2 GLU B 597 -4.174 -11.007 12.526 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.809 -7.841 8.888 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.973 -10.287 7.851 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -5.345 -9.595 9.621 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.698 -11.209 9.403 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -2.665 -10.670 10.515 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.956 -8.946 10.397 1.00 0.00 H new ATOM 741 N ASP B 598 -5.785 -9.194 6.635 1.00 0.00 N ATOM 742 CA ASP B 598 -6.808 -9.412 5.622 1.00 0.00 C ATOM 743 C ASP B 598 -6.163 -9.646 4.260 1.00 0.00 C ATOM 744 O ASP B 598 -6.486 -10.607 3.559 1.00 0.00 O ATOM 745 CB ASP B 598 -7.758 -8.211 5.541 1.00 0.00 C ATOM 746 CG ASP B 598 -8.559 -7.984 6.811 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.885 -8.970 7.507 1.00 0.00 O1- ATOM 748 OD2 ASP B 598 -8.870 -6.809 7.118 1.00 0.00 O ATOM 0 H ASP B 598 -5.797 -8.262 7.048 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.381 -10.295 5.905 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.179 -7.314 5.321 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.446 -8.358 4.709 1.00 0.00 H new ATOM 753 N PHE B 599 -5.237 -8.765 3.896 1.00 0.00 N ATOM 754 CA PHE B 599 -4.535 -8.877 2.623 1.00 0.00 C ATOM 755 C PHE B 599 -3.555 -10.029 2.662 1.00 0.00 C ATOM 756 O PHE B 599 -3.404 -10.751 1.677 1.00 0.00 O ATOM 757 CB PHE B 599 -3.809 -7.578 2.266 1.00 0.00 C ATOM 758 CG PHE B 599 -4.743 -6.472 1.856 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.799 -6.088 2.669 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.577 -5.831 0.642 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.665 -5.086 2.280 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.442 -4.830 0.247 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.486 -4.456 1.065 1.00 0.00 C ATOM 0 H PHE B 599 -4.956 -7.966 4.464 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.279 -9.068 1.850 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.222 -7.250 3.124 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -3.108 -7.772 1.455 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.946 -6.580 3.619 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.761 -6.117 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.481 -4.796 2.925 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.300 -4.339 -0.705 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.162 -3.672 0.756 1.00 0.00 H new ATOM 773 N ILE B 600 -2.890 -10.196 3.803 1.00 0.00 N ATOM 774 CA ILE B 600 -2.009 -11.327 4.012 1.00 0.00 C ATOM 775 C ILE B 600 -2.721 -12.628 3.681 1.00 0.00 C ATOM 776 O ILE B 600 -2.298 -13.355 2.788 1.00 0.00 O ATOM 777 CB ILE B 600 -1.509 -11.348 5.468 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.527 -10.194 5.678 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.878 -12.689 5.819 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.017 -10.058 7.095 1.00 0.00 C ATOM 0 H ILE B 600 -2.949 -9.556 4.595 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.152 -11.225 3.347 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.358 -11.217 6.139 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.324 -10.331 5.010 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -1.013 -9.262 5.389 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.536 -12.670 6.854 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.616 -13.482 5.695 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.030 -12.876 5.160 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.673 -9.216 7.154 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.856 -9.887 7.769 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.501 -10.972 7.385 1.00 0.00 H new ATOM 792 N GLN B 601 -3.834 -12.883 4.358 1.00 0.00 N ATOM 793 CA GLN B 601 -4.609 -14.090 4.119 1.00 0.00 C ATOM 794 C GLN B 601 -5.016 -14.200 2.666 1.00 0.00 C ATOM 795 O GLN B 601 -4.851 -15.244 2.056 1.00 0.00 O ATOM 796 CB GLN B 601 -5.852 -14.118 4.997 1.00 0.00 C ATOM 797 CG GLN B 601 -5.549 -14.434 6.441 1.00 0.00 C ATOM 798 CD GLN B 601 -6.798 -14.484 7.293 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.406 -15.539 7.468 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.197 -13.341 7.819 1.00 0.00 N ATOM 0 H GLN B 601 -4.218 -12.269 5.076 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.974 -14.939 4.371 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.352 -13.151 4.940 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.548 -14.860 4.607 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.033 -15.392 6.500 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.870 -13.681 6.840 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.664 -12.488 7.650 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -8.038 -13.311 8.395 1.00 0.00 H new ATOM 809 N SER B 602 -5.520 -13.114 2.111 1.00 0.00 N ATOM 810 CA SER B 602 -5.983 -13.110 0.734 1.00 0.00 C ATOM 811 C SER B 602 -4.867 -13.512 -0.234 1.00 0.00 C ATOM 812 O SER B 602 -5.096 -14.275 -1.173 1.00 0.00 O ATOM 813 CB SER B 602 -6.531 -11.731 0.378 1.00 0.00 C ATOM 814 OG SER B 602 -7.632 -11.400 1.204 1.00 0.00 O ATOM 0 H SER B 602 -5.620 -12.221 2.593 1.00 0.00 H new ATOM 0 HA SER B 602 -6.779 -13.848 0.639 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.747 -10.982 0.492 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.837 -11.715 -0.668 1.00 0.00 H new ATOM 0 HG SER B 602 -7.319 -11.242 2.119 1.00 0.00 H new ATOM 820 N ALA B 603 -3.663 -13.016 0.007 1.00 0.00 N ATOM 821 CA ALA B 603 -2.527 -13.313 -0.857 1.00 0.00 C ATOM 822 C ALA B 603 -1.968 -14.704 -0.587 1.00 0.00 C ATOM 823 O ALA B 603 -1.303 -15.288 -1.438 1.00 0.00 O ATOM 824 CB ALA B 603 -1.444 -12.276 -0.666 1.00 0.00 C ATOM 0 H ALA B 603 -3.446 -12.405 0.794 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.877 -13.286 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.600 -12.507 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.836 -11.290 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.114 -12.282 0.373 1.00 0.00 H new ATOM 830 N GLU B 604 -2.212 -15.215 0.607 1.00 0.00 N ATOM 831 CA GLU B 604 -1.769 -16.548 0.975 1.00 0.00 C ATOM 832 C GLU B 604 -2.715 -17.610 0.419 1.00 0.00 C ATOM 833 O GLU B 604 -2.274 -18.611 -0.150 1.00 0.00 O ATOM 834 CB GLU B 604 -1.670 -16.637 2.490 1.00 0.00 C ATOM 835 CG GLU B 604 -0.632 -15.687 3.057 1.00 0.00 C ATOM 836 CD GLU B 604 0.786 -16.190 2.879 1.00 0.00 C ATOM 837 OE1 GLU B 604 1.268 -16.944 3.752 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.428 -15.837 1.868 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.718 -14.723 1.343 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.786 -16.736 0.542 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.642 -16.413 2.929 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.419 -17.658 2.776 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.732 -14.716 2.572 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.828 -15.534 4.118 1.00 0.00 H new ATOM 845 N ILE B 605 -4.016 -17.388 0.591 1.00 0.00 N ATOM 846 CA ILE B 605 -5.034 -18.224 -0.036 1.00 0.00 C ATOM 847 C ILE B 605 -4.829 -18.163 -1.543 1.00 0.00 C ATOM 848 O ILE B 605 -4.692 -19.190 -2.208 1.00 0.00 O ATOM 849 CB ILE B 605 -6.453 -17.721 0.326 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.605 -17.622 1.850 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.514 -18.644 -0.260 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.772 -16.767 2.309 1.00 0.00 C ATOM 0 H ILE B 605 -4.391 -16.631 1.163 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.942 -19.250 0.321 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.592 -16.729 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.724 -18.626 2.257 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.685 -17.215 2.269 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.505 -18.274 0.005 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.415 -18.670 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.383 -19.649 0.140 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.805 -16.752 3.398 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.648 -15.751 1.935 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.702 -17.184 1.923 1.00 0.00 H new ATOM 864 N SER B 606 -4.777 -16.938 -2.046 1.00 0.00 N ATOM 865 CA SER B 606 -4.246 -16.632 -3.366 1.00 0.00 C ATOM 866 C SER B 606 -4.925 -17.383 -4.516 1.00 0.00 C ATOM 867 O SER B 606 -5.988 -18.000 -4.378 1.00 0.00 O ATOM 868 CB SER B 606 -2.741 -16.928 -3.383 1.00 0.00 C ATOM 869 OG SER B 606 -2.110 -16.348 -4.516 1.00 0.00 O ATOM 0 H SER B 606 -5.108 -16.116 -1.540 1.00 0.00 H new ATOM 0 HA SER B 606 -4.451 -15.575 -3.538 1.00 0.00 H new ATOM 0 HB2 SER B 606 -2.283 -16.542 -2.472 1.00 0.00 H new ATOM 0 HB3 SER B 606 -2.581 -18.006 -3.388 1.00 0.00 H new ATOM 0 HG SER B 606 -1.383 -15.761 -4.221 1.00 0.00 H new ATOM 875 N ASN B 607 -4.246 -17.290 -5.648 1.00 0.00 N ATOM 876 CA ASN B 607 -4.643 -17.835 -6.931 1.00 0.00 C ATOM 877 C ASN B 607 -3.730 -17.195 -7.960 1.00 0.00 C ATOM 878 O ASN B 607 -3.269 -17.833 -8.905 1.00 0.00 O ATOM 879 CB ASN B 607 -6.105 -17.523 -7.274 1.00 0.00 C ATOM 880 CG ASN B 607 -6.594 -18.291 -8.490 1.00 0.00 C ATOM 881 OD1 ASN B 607 -7.073 -19.419 -8.371 1.00 0.00 O ATOM 882 ND2 ASN B 607 -6.494 -17.691 -9.666 1.00 0.00 N ATOM 0 H ASN B 607 -3.351 -16.803 -5.696 1.00 0.00 H new ATOM 0 HA ASN B 607 -4.559 -18.922 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN B 607 -6.735 -17.765 -6.418 1.00 0.00 H new ATOM 0 HB3 ASN B 607 -6.212 -16.454 -7.457 1.00 0.00 H new ATOM 0 HD21 ASN B 607 -6.819 -18.164 -10.509 1.00 0.00 H new ATOM 0 HD22 ASN B 607 -6.092 -16.756 -9.729 1.00 0.00 H new ATOM 889 N ASP B 608 -3.451 -15.910 -7.724 1.00 0.00 N ATOM 890 CA ASP B 608 -2.576 -15.119 -8.588 1.00 0.00 C ATOM 891 C ASP B 608 -1.772 -14.104 -7.767 1.00 0.00 C ATOM 892 O ASP B 608 -1.059 -13.277 -8.327 1.00 0.00 O ATOM 893 CB ASP B 608 -3.397 -14.341 -9.630 1.00 0.00 C ATOM 894 CG ASP B 608 -4.366 -15.203 -10.416 1.00 0.00 C ATOM 895 OD1 ASP B 608 -3.935 -15.873 -11.378 1.00 0.00 O1- ATOM 896 OD2 ASP B 608 -5.568 -15.214 -10.071 1.00 0.00 O ATOM 0 H ASP B 608 -3.826 -15.391 -6.930 1.00 0.00 H new ATOM 0 HA ASP B 608 -1.901 -15.815 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP B 608 -3.955 -13.553 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP B 608 -2.714 -13.852 -10.325 1.00 0.00 H new ATOM 901 N LEU B 609 -1.898 -14.147 -6.443 1.00 0.00 N ATOM 902 CA LEU B 609 -1.369 -13.076 -5.603 1.00 0.00 C ATOM 903 C LEU B 609 -0.202 -13.529 -4.732 1.00 0.00 C ATOM 904 O LEU B 609 -0.103 -14.700 -4.367 1.00 0.00 O ATOM 905 CB LEU B 609 -2.467 -12.536 -4.695 1.00 0.00 C ATOM 906 CG LEU B 609 -3.769 -12.131 -5.388 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.499 -11.406 -6.689 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.684 -13.329 -5.600 1.00 0.00 C ATOM 0 H LEU B 609 -2.356 -14.902 -5.933 1.00 0.00 H new ATOM 0 HA LEU B 609 -1.006 -12.303 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.697 -13.294 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.077 -11.669 -4.162 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.288 -11.437 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -4.445 -11.132 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.918 -10.505 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -2.939 -12.058 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.600 -13.005 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.178 -14.068 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -4.931 -13.774 -4.636 1.00 0.00 H new ATOM 920 N LYS B 610 0.666 -12.580 -4.387 1.00 0.00 N ATOM 921 CA LYS B 610 1.770 -12.828 -3.459 1.00 0.00 C ATOM 922 C LYS B 610 2.113 -11.557 -2.679 1.00 0.00 C ATOM 923 O LYS B 610 2.252 -10.483 -3.271 1.00 0.00 O ATOM 924 CB LYS B 610 3.028 -13.310 -4.196 1.00 0.00 C ATOM 925 CG LYS B 610 2.897 -14.677 -4.852 1.00 0.00 C ATOM 926 CD LYS B 610 4.256 -15.268 -5.200 1.00 0.00 C ATOM 927 CE LYS B 610 5.043 -14.375 -6.147 1.00 0.00 C ATOM 928 NZ LYS B 610 6.397 -14.926 -6.422 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.626 -11.624 -4.739 1.00 0.00 H new ATOM 0 HA LYS B 610 1.442 -13.608 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.287 -12.578 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS B 610 3.858 -13.339 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.367 -15.353 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS B 610 2.296 -14.590 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.829 -15.420 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.118 -16.248 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS B 610 4.497 -14.267 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS B 610 5.136 -13.379 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 6.905 -14.291 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 6.927 -15.006 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 6.307 -15.866 -6.857 1.00 0.00 H new ATOM 942 N ILE B 611 2.232 -11.685 -1.356 1.00 0.00 N ATOM 943 CA ILE B 611 2.719 -10.594 -0.510 1.00 0.00 C ATOM 944 C ILE B 611 4.239 -10.500 -0.642 1.00 0.00 C ATOM 945 O ILE B 611 4.908 -11.498 -0.912 1.00 0.00 O ATOM 946 CB ILE B 611 2.372 -10.823 0.990 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.858 -10.918 1.216 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.961 -9.730 1.867 1.00 0.00 C ATOM 949 CD1 ILE B 611 0.147 -9.587 1.426 1.00 0.00 C ATOM 0 H ILE B 611 1.997 -12.537 -0.846 1.00 0.00 H new ATOM 0 HA ILE B 611 2.234 -9.676 -0.841 1.00 0.00 H new ATOM 0 HB ILE B 611 2.818 -11.776 1.274 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.410 -11.419 0.358 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.676 -11.550 2.085 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.701 -9.919 2.908 1.00 0.00 H new ATOM 0 HG22 ILE B 611 4.046 -9.723 1.760 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.560 -8.763 1.563 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -0.918 -9.763 1.577 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.560 -9.088 2.303 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.290 -8.956 0.549 1.00 0.00 H new ATOM 961 N ASP B 612 4.772 -9.309 -0.455 1.00 0.00 N ATOM 962 CA ASP B 612 6.212 -9.103 -0.439 1.00 0.00 C ATOM 963 C ASP B 612 6.611 -8.411 0.852 1.00 0.00 C ATOM 964 O ASP B 612 5.806 -7.707 1.460 1.00 0.00 O ATOM 965 CB ASP B 612 6.663 -8.264 -1.641 1.00 0.00 C ATOM 966 CG ASP B 612 8.151 -7.975 -1.643 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.931 -8.840 -2.098 1.00 0.00 O ATOM 968 OD2 ASP B 612 8.545 -6.883 -1.187 1.00 0.00 O1- ATOM 0 H ASP B 612 4.226 -8.460 -0.310 1.00 0.00 H new ATOM 0 HA ASP B 612 6.701 -10.075 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.400 -8.787 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.116 -7.321 -1.643 1.00 0.00 H new ATOM 973 N SER B 613 7.839 -8.629 1.275 1.00 0.00 N ATOM 974 CA SER B 613 8.361 -7.986 2.463 1.00 0.00 C ATOM 975 C SER B 613 9.586 -7.155 2.102 1.00 0.00 C ATOM 976 O SER B 613 10.680 -7.686 1.888 1.00 0.00 O ATOM 977 CB SER B 613 8.706 -9.025 3.528 1.00 0.00 C ATOM 978 OG SER B 613 7.603 -9.885 3.768 1.00 0.00 O ATOM 0 H SER B 613 8.499 -9.252 0.809 1.00 0.00 H new ATOM 0 HA SER B 613 7.597 -7.326 2.874 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.567 -9.611 3.206 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.990 -8.524 4.453 1.00 0.00 H new ATOM 0 HG SER B 613 7.845 -10.544 4.452 1.00 0.00 H new ATOM 984 N SER B 614 9.385 -5.854 2.015 1.00 0.00 N ATOM 985 CA SER B 614 10.449 -4.937 1.655 1.00 0.00 C ATOM 986 C SER B 614 10.521 -3.787 2.666 1.00 0.00 C ATOM 987 O SER B 614 9.663 -2.904 2.688 1.00 0.00 O ATOM 988 CB SER B 614 10.216 -4.441 0.222 1.00 0.00 C ATOM 989 OG SER B 614 8.832 -4.423 -0.089 1.00 0.00 O ATOM 0 H SER B 614 8.486 -5.405 2.191 1.00 0.00 H new ATOM 0 HA SER B 614 11.413 -5.444 1.685 1.00 0.00 H new ATOM 0 HB2 SER B 614 10.632 -3.440 0.107 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.742 -5.087 -0.481 1.00 0.00 H new ATOM 0 HG SER B 614 8.589 -5.254 -0.549 1.00 0.00 H new ATOM 995 N THR B 615 11.530 -3.832 3.532 1.00 0.00 N ATOM 996 CA THR B 615 11.671 -2.851 4.604 1.00 0.00 C ATOM 997 C THR B 615 12.323 -1.573 4.112 1.00 0.00 C ATOM 998 O THR B 615 13.495 -1.569 3.744 1.00 0.00 O ATOM 999 CB THR B 615 12.498 -3.409 5.781 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.874 -4.590 6.303 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.640 -2.371 6.893 1.00 0.00 C ATOM 0 H THR B 615 12.264 -4.540 3.512 1.00 0.00 H new ATOM 0 HA THR B 615 10.661 -2.629 4.948 1.00 0.00 H new ATOM 0 HB THR B 615 13.492 -3.655 5.408 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.406 -4.939 7.048 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.227 -2.791 7.710 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.142 -1.486 6.503 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.652 -2.095 7.261 1.00 0.00 H new ATOM 1009 N VAL B 616 11.557 -0.492 4.092 1.00 0.00 N ATOM 1010 CA VAL B 616 12.110 0.814 3.797 1.00 0.00 C ATOM 1011 C VAL B 616 13.244 1.150 4.765 1.00 0.00 C ATOM 1012 O VAL B 616 13.036 1.291 5.971 1.00 0.00 O ATOM 1013 CB VAL B 616 11.029 1.913 3.838 1.00 0.00 C ATOM 1014 CG1 VAL B 616 10.063 1.701 4.985 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.669 3.285 3.939 1.00 0.00 C ATOM 0 H VAL B 616 10.554 -0.497 4.277 1.00 0.00 H new ATOM 0 HA VAL B 616 12.510 0.778 2.784 1.00 0.00 H new ATOM 0 HB VAL B 616 10.463 1.853 2.908 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.315 2.494 4.982 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.569 0.736 4.871 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.609 1.720 5.928 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.891 4.048 3.967 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.266 3.342 4.849 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.310 3.452 3.074 1.00 0.00 H new ATOM 1025 N GLU B 617 14.446 1.232 4.221 1.00 0.00 N ATOM 1026 CA GLU B 617 15.627 1.566 4.990 1.00 0.00 C ATOM 1027 C GLU B 617 15.862 3.066 5.010 1.00 0.00 C ATOM 1028 O GLU B 617 16.555 3.578 5.889 1.00 0.00 O ATOM 1029 CB GLU B 617 16.834 0.855 4.397 1.00 0.00 C ATOM 1030 CG GLU B 617 16.736 -0.655 4.478 1.00 0.00 C ATOM 1031 CD GLU B 617 17.181 -1.207 5.820 1.00 0.00 C ATOM 1032 OE1 GLU B 617 16.600 -0.819 6.855 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.121 -2.034 5.847 1.00 0.00 O1- ATOM 0 H GLU B 617 14.628 1.068 3.231 1.00 0.00 H new ATOM 0 HA GLU B 617 15.477 1.238 6.018 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.945 1.150 3.354 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.733 1.183 4.918 1.00 0.00 H new ATOM 0 HG2 GLU B 617 15.706 -0.957 4.291 1.00 0.00 H new ATOM 0 HG3 GLU B 617 17.346 -1.096 3.690 1.00 0.00 H new ATOM 1040 N ARG B 618 15.288 3.774 4.042 1.00 0.00 N ATOM 1041 CA ARG B 618 15.524 5.203 3.929 1.00 0.00 C ATOM 1042 C ARG B 618 14.461 5.856 3.058 1.00 0.00 C ATOM 1043 O ARG B 618 13.923 5.230 2.149 1.00 0.00 O ATOM 1044 CB ARG B 618 16.918 5.443 3.345 1.00 0.00 C ATOM 1045 CG ARG B 618 17.306 6.907 3.214 1.00 0.00 C ATOM 1046 CD ARG B 618 18.709 7.051 2.653 1.00 0.00 C ATOM 1047 NE ARG B 618 19.067 8.446 2.421 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.314 8.881 2.264 1.00 0.00 C ATOM 1049 NH1 ARG B 618 21.337 8.046 2.394 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 20.538 10.161 1.993 1.00 0.00 N ATOM 0 H ARG B 618 14.665 3.385 3.335 1.00 0.00 H new ATOM 0 HA ARG B 618 15.468 5.653 4.920 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.653 4.941 3.975 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.970 4.977 2.361 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.596 7.418 2.563 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.249 7.390 4.189 1.00 0.00 H new ATOM 0 HD2 ARG B 618 19.423 6.604 3.345 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.783 6.498 1.717 1.00 0.00 H new ATOM 0 HE ARG B 618 18.313 9.131 2.376 1.00 0.00 H new ATOM 0 HH11 ARG B 618 21.169 7.065 2.615 1.00 0.00 H new ATOM 0 HH12 ARG B 618 22.291 8.386 2.272 1.00 0.00 H new ATOM 0 HH21 ARG B 618 19.755 10.808 1.906 1.00 0.00 H new ATOM 0 HH22 ARG B 618 21.493 10.497 1.872 1.00 0.00 H new ATOM 1064 N ILE B 619 14.163 7.110 3.348 1.00 0.00 N ATOM 1065 CA ILE B 619 13.176 7.863 2.596 1.00 0.00 C ATOM 1066 C ILE B 619 13.764 9.197 2.162 1.00 0.00 C ATOM 1067 O ILE B 619 14.334 9.925 2.975 1.00 0.00 O ATOM 1068 CB ILE B 619 11.899 8.085 3.429 1.00 0.00 C ATOM 1069 CG1 ILE B 619 11.166 6.757 3.601 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.987 9.122 2.778 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.999 6.831 4.556 1.00 0.00 C ATOM 0 H ILE B 619 14.597 7.633 4.109 1.00 0.00 H new ATOM 0 HA ILE B 619 12.904 7.288 1.711 1.00 0.00 H new ATOM 0 HB ILE B 619 12.184 8.469 4.409 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.808 6.420 2.628 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.871 6.006 3.959 1.00 0.00 H new ATOM 0 HG21 ILE B 619 10.095 9.257 3.389 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.516 10.071 2.695 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.698 8.780 1.784 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.526 5.852 4.629 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.353 7.137 5.540 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.274 7.558 4.189 1.00 0.00 H new ATOM 1083 N GLU B 620 13.632 9.506 0.883 1.00 0.00 N ATOM 1084 CA GLU B 620 14.261 10.688 0.318 1.00 0.00 C ATOM 1085 C GLU B 620 13.258 11.574 -0.405 1.00 0.00 C ATOM 1086 O GLU B 620 12.267 11.095 -0.958 1.00 0.00 O ATOM 1087 CB GLU B 620 15.364 10.274 -0.648 1.00 0.00 C ATOM 1088 CG GLU B 620 16.549 9.662 0.048 1.00 0.00 C ATOM 1089 CD GLU B 620 17.302 10.670 0.890 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.797 11.667 0.325 1.00 0.00 O ATOM 1091 OE2 GLU B 620 17.422 10.462 2.113 1.00 0.00 O1- ATOM 0 H GLU B 620 13.094 8.954 0.215 1.00 0.00 H new ATOM 0 HA GLU B 620 14.682 11.263 1.143 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.962 9.560 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.691 11.146 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.212 8.842 0.682 1.00 0.00 H new ATOM 0 HG3 GLU B 620 17.224 9.235 -0.694 1.00 0.00 H new ATOM 1098 N ASP B 621 13.524 12.870 -0.388 1.00 0.00 N ATOM 1099 CA ASP B 621 12.734 13.831 -1.143 1.00 0.00 C ATOM 1100 C ASP B 621 13.136 13.779 -2.608 1.00 0.00 C ATOM 1101 O ASP B 621 14.302 13.553 -2.931 1.00 0.00 O ATOM 1102 CB ASP B 621 12.951 15.252 -0.606 1.00 0.00 C ATOM 1103 CG ASP B 621 14.354 15.767 -0.870 1.00 0.00 C ATOM 1104 OD1 ASP B 621 15.282 15.375 -0.131 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 14.543 16.555 -1.825 1.00 0.00 O ATOM 0 H ASP B 621 14.288 13.284 0.146 1.00 0.00 H new ATOM 0 HA ASP B 621 11.680 13.574 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP B 621 12.228 15.925 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP B 621 12.759 15.264 0.467 1.00 0.00 H new ATOM 1110 N SER B 622 12.176 13.967 -3.493 1.00 0.00 N ATOM 1111 CA SER B 622 12.465 13.996 -4.916 1.00 0.00 C ATOM 1112 C SER B 622 12.411 15.429 -5.439 1.00 0.00 C ATOM 1113 O SER B 622 12.726 15.695 -6.601 1.00 0.00 O ATOM 1114 CB SER B 622 11.469 13.112 -5.668 1.00 0.00 C ATOM 1115 OG SER B 622 11.705 13.127 -7.063 1.00 0.00 O ATOM 0 H SER B 622 11.193 14.101 -3.255 1.00 0.00 H new ATOM 0 HA SER B 622 13.471 13.609 -5.081 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.539 12.089 -5.298 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.454 13.455 -5.467 1.00 0.00 H new ATOM 0 HG SER B 622 11.693 12.209 -7.407 1.00 0.00 H new ATOM 1121 N HIS B 623 11.995 16.346 -4.560 1.00 0.00 N ATOM 1122 CA HIS B 623 11.827 17.757 -4.907 1.00 0.00 C ATOM 1123 C HIS B 623 10.904 17.920 -6.103 1.00 0.00 C ATOM 1124 O HIS B 623 11.000 18.881 -6.866 1.00 0.00 O ATOM 1125 CB HIS B 623 13.175 18.427 -5.165 1.00 0.00 C ATOM 1126 CG HIS B 623 13.579 19.366 -4.070 1.00 0.00 C ATOM 1127 ND1 HIS B 623 14.091 18.943 -2.862 1.00 0.00 N ATOM 1128 CD2 HIS B 623 13.530 20.718 -4.001 1.00 0.00 C ATOM 1129 CE1 HIS B 623 14.336 19.991 -2.099 1.00 0.00 C ATOM 1130 NE2 HIS B 623 14.005 21.078 -2.767 1.00 0.00 N ATOM 0 H HIS B 623 11.766 16.130 -3.590 1.00 0.00 H new ATOM 0 HA HIS B 623 11.364 18.254 -4.054 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.940 17.659 -5.279 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.129 18.974 -6.107 1.00 0.00 H new ATOM 0 HD1 HIS B 623 14.255 17.971 -2.599 1.00 0.00 H new ATOM 0 HD2 HIS B 623 13.182 21.387 -4.774 1.00 0.00 H new ATOM 0 HE1 HIS B 623 14.739 19.963 -1.097 1.00 0.00 H new ATOM 1139 N SER B 624 10.012 16.960 -6.243 1.00 0.00 N ATOM 1140 CA SER B 624 8.996 16.970 -7.271 1.00 0.00 C ATOM 1141 C SER B 624 7.636 16.977 -6.586 1.00 0.00 C ATOM 1142 O SER B 624 7.518 16.477 -5.467 1.00 0.00 O ATOM 1143 CB SER B 624 9.158 15.737 -8.164 1.00 0.00 C ATOM 1144 OG SER B 624 10.481 15.644 -8.671 1.00 0.00 O ATOM 0 H SER B 624 9.974 16.141 -5.637 1.00 0.00 H new ATOM 0 HA SER B 624 9.088 17.853 -7.903 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.919 14.838 -7.595 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.451 15.788 -8.992 1.00 0.00 H new ATOM 0 HG SER B 624 11.107 15.511 -7.929 1.00 0.00 H new ATOM 1150 N PRO B 625 6.613 17.564 -7.230 1.00 0.00 N ATOM 1151 CA PRO B 625 5.278 17.710 -6.640 1.00 0.00 C ATOM 1152 C PRO B 625 4.760 16.440 -5.997 1.00 0.00 C ATOM 1153 O PRO B 625 4.386 15.484 -6.680 1.00 0.00 O ATOM 1154 CB PRO B 625 4.402 18.085 -7.825 1.00 0.00 C ATOM 1155 CG PRO B 625 5.318 18.736 -8.805 1.00 0.00 C ATOM 1156 CD PRO B 625 6.692 18.161 -8.573 1.00 0.00 C ATOM 0 HA PRO B 625 5.286 18.445 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.927 17.204 -8.257 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.603 18.763 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.988 18.546 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.324 19.817 -8.668 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.943 17.414 -9.326 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.460 18.933 -8.621 1.00 0.00 H new ATOM 1164 N GLY B 626 4.708 16.483 -4.675 1.00 0.00 N ATOM 1165 CA GLY B 626 4.241 15.369 -3.881 1.00 0.00 C ATOM 1166 C GLY B 626 4.989 14.082 -4.159 1.00 0.00 C ATOM 1167 O GLY B 626 4.390 13.017 -4.141 1.00 0.00 O ATOM 0 H GLY B 626 4.990 17.295 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.340 15.618 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.180 15.214 -4.074 1.00 0.00 H new ATOM 1171 N VAL B 627 6.290 14.166 -4.418 1.00 0.00 N ATOM 1172 CA VAL B 627 7.068 12.972 -4.740 1.00 0.00 C ATOM 1173 C VAL B 627 8.155 12.699 -3.712 1.00 0.00 C ATOM 1174 O VAL B 627 8.977 13.568 -3.406 1.00 0.00 O ATOM 1175 CB VAL B 627 7.733 13.065 -6.127 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.414 11.754 -6.488 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.719 13.442 -7.183 1.00 0.00 C ATOM 0 H VAL B 627 6.823 15.035 -4.412 1.00 0.00 H new ATOM 0 HA VAL B 627 6.348 12.153 -4.736 1.00 0.00 H new ATOM 0 HB VAL B 627 8.492 13.846 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.877 11.843 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.179 11.525 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.675 10.953 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.210 13.502 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.934 12.687 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.281 14.409 -6.938 1.00 0.00 H new ATOM 1187 N ALA B 628 8.163 11.479 -3.206 1.00 0.00 N ATOM 1188 CA ALA B 628 9.210 11.016 -2.316 1.00 0.00 C ATOM 1189 C ALA B 628 9.607 9.602 -2.699 1.00 0.00 C ATOM 1190 O ALA B 628 8.761 8.791 -3.080 1.00 0.00 O ATOM 1191 CB ALA B 628 8.754 11.069 -0.865 1.00 0.00 C ATOM 0 H ALA B 628 7.444 10.782 -3.401 1.00 0.00 H new ATOM 0 HA ALA B 628 10.074 11.673 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.557 10.717 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.499 12.095 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.878 10.433 -0.735 1.00 0.00 H new ATOM 1197 N VAL B 629 10.889 9.315 -2.617 1.00 0.00 N ATOM 1198 CA VAL B 629 11.384 7.995 -2.943 1.00 0.00 C ATOM 1199 C VAL B 629 11.606 7.185 -1.685 1.00 0.00 C ATOM 1200 O VAL B 629 12.337 7.591 -0.775 1.00 0.00 O ATOM 1201 CB VAL B 629 12.676 8.042 -3.795 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.456 9.305 -3.501 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.546 6.807 -3.569 1.00 0.00 C ATOM 0 H VAL B 629 11.607 9.979 -2.327 1.00 0.00 H new ATOM 0 HA VAL B 629 10.620 7.508 -3.549 1.00 0.00 H new ATOM 0 HB VAL B 629 12.381 8.047 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.361 9.323 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.843 10.175 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.726 9.328 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.443 6.877 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.830 6.749 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.987 5.913 -3.843 1.00 0.00 H new ATOM 1213 N ILE B 630 10.941 6.053 -1.632 1.00 0.00 N ATOM 1214 CA ILE B 630 11.079 5.142 -0.528 1.00 0.00 C ATOM 1215 C ILE B 630 12.100 4.072 -0.896 1.00 0.00 C ATOM 1216 O ILE B 630 11.874 3.280 -1.808 1.00 0.00 O ATOM 1217 CB ILE B 630 9.735 4.473 -0.192 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.588 5.486 -0.240 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.808 3.834 1.178 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.709 6.593 0.779 1.00 0.00 C ATOM 0 H ILE B 630 10.291 5.742 -2.354 1.00 0.00 H new ATOM 0 HA ILE B 630 11.411 5.700 0.348 1.00 0.00 H new ATOM 0 HB ILE B 630 9.538 3.704 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.545 5.925 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.646 4.961 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.853 3.362 1.411 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.597 3.082 1.187 1.00 0.00 H new ATOM 0 HG23 ILE B 630 10.026 4.598 1.924 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.860 7.270 0.683 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.720 6.165 1.781 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.634 7.144 0.609 1.00 0.00 H new ATOM 1232 N GLN B 631 13.239 4.076 -0.224 1.00 0.00 N ATOM 1233 CA GLN B 631 14.276 3.098 -0.503 1.00 0.00 C ATOM 1234 C GLN B 631 14.044 1.843 0.323 1.00 0.00 C ATOM 1235 O GLN B 631 14.237 1.841 1.544 1.00 0.00 O ATOM 1236 CB GLN B 631 15.665 3.680 -0.230 1.00 0.00 C ATOM 1237 CG GLN B 631 16.790 2.703 -0.524 1.00 0.00 C ATOM 1238 CD GLN B 631 18.158 3.359 -0.562 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.335 4.423 0.202 1.00 0.00 O flip ATOM 1240 NE2 GLN B 631 19.053 2.910 -1.280 1.00 0.00 N flip ATOM 0 H GLN B 631 13.468 4.741 0.514 1.00 0.00 H new ATOM 0 HA GLN B 631 14.229 2.834 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.802 4.576 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.724 3.989 0.814 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.791 1.921 0.235 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.600 2.218 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.880 2.087 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.967 3.362 -1.298 1.00 0.00 H new ATOM 1249 N PHE B 632 13.621 0.788 -0.359 1.00 0.00 N ATOM 1250 CA PHE B 632 13.251 -0.463 0.286 1.00 0.00 C ATOM 1251 C PHE B 632 14.371 -1.481 0.226 1.00 0.00 C ATOM 1252 O PHE B 632 15.071 -1.583 -0.771 1.00 0.00 O ATOM 1253 CB PHE B 632 12.028 -1.076 -0.392 1.00 0.00 C ATOM 1254 CG PHE B 632 10.761 -0.288 -0.252 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.016 -0.356 0.910 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.302 0.498 -1.294 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.838 0.348 1.034 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.121 1.203 -1.177 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.388 1.127 -0.012 1.00 0.00 C ATOM 0 H PHE B 632 13.525 0.776 -1.374 1.00 0.00 H new ATOM 0 HA PHE B 632 13.035 -0.223 1.327 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.245 -1.201 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.865 -2.072 0.019 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.361 -0.968 1.730 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.874 0.561 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.267 0.290 1.949 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.772 1.813 -1.997 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.463 1.676 0.082 1.00 0.00 H new ATOM 1269 N ALA B 633 14.525 -2.225 1.302 1.00 0.00 N ATOM 1270 CA ALA B 633 15.363 -3.405 1.310 1.00 0.00 C ATOM 1271 C ALA B 633 14.479 -4.626 1.113 1.00 0.00 C ATOM 1272 O ALA B 633 13.840 -5.105 2.051 1.00 0.00 O ATOM 1273 CB ALA B 633 16.128 -3.499 2.616 1.00 0.00 C ATOM 0 H ALA B 633 14.073 -2.028 2.195 1.00 0.00 H new ATOM 0 HA ALA B 633 16.093 -3.350 0.502 1.00 0.00 H new ATOM 0 HB1 ALA B 633 16.754 -4.391 2.608 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.756 -2.616 2.734 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.424 -3.557 3.446 1.00 0.00 H new ATOM 1279 N VAL B 634 14.427 -5.104 -0.115 1.00 0.00 N ATOM 1280 CA VAL B 634 13.511 -6.166 -0.486 1.00 0.00 C ATOM 1281 C VAL B 634 14.051 -7.535 -0.099 1.00 0.00 C ATOM 1282 O VAL B 634 15.183 -7.894 -0.440 1.00 0.00 O ATOM 1283 CB VAL B 634 13.223 -6.141 -2.001 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.181 -7.187 -2.371 1.00 0.00 C ATOM 1285 CG2 VAL B 634 12.773 -4.753 -2.433 1.00 0.00 C ATOM 0 H VAL B 634 15.014 -4.770 -0.879 1.00 0.00 H new ATOM 0 HA VAL B 634 12.585 -5.991 0.061 1.00 0.00 H new ATOM 0 HB VAL B 634 14.145 -6.383 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL B 634 11.994 -7.151 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL B 634 12.547 -8.177 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.254 -6.983 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.574 -4.752 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL B 634 11.865 -4.481 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.558 -4.030 -2.209 1.00 0.00 H new ATOM 1295 N GLY B 635 13.242 -8.288 0.632 1.00 0.00 N ATOM 1296 CA GLY B 635 13.590 -9.649 0.969 1.00 0.00 C ATOM 1297 C GLY B 635 14.496 -9.738 2.175 1.00 0.00 C ATOM 1298 O GLY B 635 14.762 -8.736 2.845 1.00 0.00 O ATOM 0 H GLY B 635 12.343 -7.975 1.000 1.00 0.00 H new ATOM 0 HA2 GLY B 635 12.679 -10.216 1.162 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.081 -10.116 0.115 1.00 0.00 H new ATOM 1302 N GLU B 636 14.978 -10.941 2.443 1.00 0.00 N ATOM 1303 CA GLU B 636 15.847 -11.186 3.578 1.00 0.00 C ATOM 1304 C GLU B 636 17.273 -10.755 3.262 1.00 0.00 C ATOM 1305 O GLU B 636 18.057 -10.463 4.164 1.00 0.00 O ATOM 1306 CB GLU B 636 15.810 -12.663 3.946 1.00 0.00 C ATOM 1307 CG GLU B 636 14.423 -13.163 4.320 1.00 0.00 C ATOM 1308 CD GLU B 636 13.874 -12.485 5.559 1.00 0.00 C ATOM 1309 OE1 GLU B 636 13.312 -11.378 5.438 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 14.006 -13.054 6.663 1.00 0.00 O ATOM 0 H GLU B 636 14.778 -11.769 1.882 1.00 0.00 H new ATOM 0 HA GLU B 636 15.493 -10.599 4.426 1.00 0.00 H new ATOM 0 HB2 GLU B 636 16.183 -13.248 3.105 1.00 0.00 H new ATOM 0 HB3 GLU B 636 16.488 -12.838 4.782 1.00 0.00 H new ATOM 0 HG2 GLU B 636 13.742 -12.993 3.486 1.00 0.00 H new ATOM 0 HG3 GLU B 636 14.461 -14.240 4.486 1.00 0.00 H new ATOM 1317 N HIS B 637 17.598 -10.706 1.973 1.00 0.00 N ATOM 1318 CA HIS B 637 18.925 -10.288 1.530 1.00 0.00 C ATOM 1319 C HIS B 637 19.038 -8.767 1.523 1.00 0.00 C ATOM 1320 O HIS B 637 20.116 -8.208 1.329 1.00 0.00 O ATOM 1321 CB HIS B 637 19.241 -10.839 0.135 1.00 0.00 C ATOM 1322 CG HIS B 637 19.565 -12.303 0.110 1.00 0.00 C ATOM 1323 ND1 HIS B 637 20.790 -12.794 -0.289 1.00 0.00 N ATOM 1324 CD2 HIS B 637 18.816 -13.386 0.428 1.00 0.00 C ATOM 1325 CE1 HIS B 637 20.780 -14.111 -0.216 1.00 0.00 C ATOM 1326 NE2 HIS B 637 19.594 -14.497 0.217 1.00 0.00 N ATOM 0 H HIS B 637 16.960 -10.951 1.216 1.00 0.00 H new ATOM 0 HA HIS B 637 19.650 -10.694 2.235 1.00 0.00 H new ATOM 0 HB2 HIS B 637 18.387 -10.656 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS B 637 20.083 -10.285 -0.280 1.00 0.00 H new ATOM 0 HD2 HIS B 637 17.796 -13.377 0.782 1.00 0.00 H new ATOM 0 HE1 HIS B 637 21.603 -14.763 -0.468 1.00 0.00 H new ATOM 0 HE2 HIS B 637 19.303 -15.463 0.370 1.00 0.00 H new ATOM 1335 N ARG B 638 17.891 -8.117 1.732 1.00 0.00 N ATOM 1336 CA ARG B 638 17.802 -6.663 1.836 1.00 0.00 C ATOM 1337 C ARG B 638 18.270 -5.967 0.561 1.00 0.00 C ATOM 1338 O ARG B 638 19.049 -5.016 0.617 1.00 0.00 O ATOM 1339 CB ARG B 638 18.609 -6.148 3.033 1.00 0.00 C ATOM 1340 CG ARG B 638 18.084 -6.615 4.381 1.00 0.00 C ATOM 1341 CD ARG B 638 18.819 -5.932 5.521 1.00 0.00 C ATOM 1342 NE ARG B 638 18.388 -6.417 6.831 1.00 0.00 N ATOM 1343 CZ ARG B 638 18.179 -5.632 7.886 1.00 0.00 C ATOM 1344 NH1 ARG B 638 18.298 -4.313 7.778 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 17.830 -6.165 9.050 1.00 0.00 N ATOM 0 H ARG B 638 16.993 -8.590 1.834 1.00 0.00 H new ATOM 0 HA ARG B 638 16.749 -6.423 1.984 1.00 0.00 H new ATOM 0 HB2 ARG B 638 19.644 -6.472 2.926 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.612 -5.058 3.014 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.017 -6.402 4.453 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.200 -7.696 4.465 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.891 -6.097 5.410 1.00 0.00 H new ATOM 0 HD3 ARG B 638 18.655 -4.856 5.463 1.00 0.00 H new ATOM 0 HE ARG B 638 18.238 -7.420 6.944 1.00 0.00 H new ATOM 0 HH11 ARG B 638 18.551 -3.895 6.882 1.00 0.00 H new ATOM 0 HH12 ARG B 638 18.136 -3.718 8.591 1.00 0.00 H new ATOM 0 HH21 ARG B 638 17.722 -7.176 9.136 1.00 0.00 H new ATOM 0 HH22 ARG B 638 17.670 -5.564 9.858 1.00 0.00 H new ATOM 1359 N ALA B 639 17.782 -6.426 -0.582 1.00 0.00 N ATOM 1360 CA ALA B 639 18.119 -5.795 -1.850 1.00 0.00 C ATOM 1361 C ALA B 639 17.429 -4.445 -1.949 1.00 0.00 C ATOM 1362 O ALA B 639 16.203 -4.367 -1.994 1.00 0.00 O ATOM 1363 CB ALA B 639 17.728 -6.679 -3.016 1.00 0.00 C ATOM 0 H ALA B 639 17.156 -7.227 -0.658 1.00 0.00 H new ATOM 0 HA ALA B 639 19.198 -5.648 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA B 639 17.990 -6.185 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.258 -7.629 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.654 -6.861 -2.991 1.00 0.00 H new ATOM 1369 N GLN B 640 18.217 -3.387 -1.980 1.00 0.00 N ATOM 1370 CA GLN B 640 17.670 -2.044 -1.883 1.00 0.00 C ATOM 1371 C GLN B 640 17.200 -1.517 -3.231 1.00 0.00 C ATOM 1372 O GLN B 640 17.916 -1.578 -4.232 1.00 0.00 O ATOM 1373 CB GLN B 640 18.673 -1.090 -1.242 1.00 0.00 C ATOM 1374 CG GLN B 640 18.918 -1.392 0.228 1.00 0.00 C ATOM 1375 CD GLN B 640 19.791 -0.358 0.902 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.643 0.262 0.270 1.00 0.00 O ATOM 1377 NE2 GLN B 640 19.587 -0.169 2.195 1.00 0.00 N ATOM 0 H GLN B 640 19.232 -3.429 -2.071 1.00 0.00 H new ATOM 0 HA GLN B 640 16.793 -2.102 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.618 -1.147 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.310 -0.067 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN B 640 17.961 -1.447 0.747 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.387 -2.372 0.320 1.00 0.00 H new ATOM 0 HE21 GLN B 640 18.869 -0.705 2.682 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.148 0.513 2.705 1.00 0.00 H new ATOM 1386 N VAL B 641 15.973 -1.019 -3.232 1.00 0.00 N ATOM 1387 CA VAL B 641 15.347 -0.455 -4.415 1.00 0.00 C ATOM 1388 C VAL B 641 14.735 0.900 -4.085 1.00 0.00 C ATOM 1389 O VAL B 641 13.903 1.012 -3.181 1.00 0.00 O ATOM 1390 CB VAL B 641 14.244 -1.392 -4.965 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.523 -0.760 -6.147 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.829 -2.742 -5.356 1.00 0.00 C ATOM 0 H VAL B 641 15.379 -0.995 -2.403 1.00 0.00 H new ATOM 0 HA VAL B 641 16.117 -0.338 -5.177 1.00 0.00 H new ATOM 0 HB VAL B 641 13.514 -1.549 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.754 -1.442 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL B 641 13.059 0.175 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL B 641 14.238 -0.560 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL B 641 14.037 -3.385 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.587 -2.601 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.283 -3.209 -4.482 1.00 0.00 H new ATOM 1402 N SER B 642 15.164 1.927 -4.800 1.00 0.00 N ATOM 1403 CA SER B 642 14.640 3.268 -4.602 1.00 0.00 C ATOM 1404 C SER B 642 13.526 3.556 -5.607 1.00 0.00 C ATOM 1405 O SER B 642 13.737 3.492 -6.819 1.00 0.00 O ATOM 1406 CB SER B 642 15.766 4.293 -4.743 1.00 0.00 C ATOM 1407 OG SER B 642 16.815 4.017 -3.831 1.00 0.00 O ATOM 0 H SER B 642 15.877 1.857 -5.526 1.00 0.00 H new ATOM 0 HA SER B 642 14.223 3.340 -3.597 1.00 0.00 H new ATOM 0 HB2 SER B 642 16.151 4.279 -5.763 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.376 5.295 -4.564 1.00 0.00 H new ATOM 0 HG SER B 642 17.526 4.683 -3.939 1.00 0.00 H new ATOM 1413 N VAL B 643 12.337 3.851 -5.098 1.00 0.00 N ATOM 1414 CA VAL B 643 11.193 4.116 -5.943 1.00 0.00 C ATOM 1415 C VAL B 643 10.560 5.469 -5.605 1.00 0.00 C ATOM 1416 O VAL B 643 10.187 5.727 -4.460 1.00 0.00 O ATOM 1417 CB VAL B 643 10.153 2.983 -5.804 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.812 2.722 -4.345 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.902 3.304 -6.590 1.00 0.00 C ATOM 0 H VAL B 643 12.145 3.912 -4.098 1.00 0.00 H new ATOM 0 HA VAL B 643 11.535 4.155 -6.977 1.00 0.00 H new ATOM 0 HB VAL B 643 10.596 2.075 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.077 1.919 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.714 2.432 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.399 3.628 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.183 2.492 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.465 4.230 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.155 3.422 -7.644 1.00 0.00 H new ATOM 1429 N GLU B 644 10.461 6.335 -6.607 1.00 0.00 N ATOM 1430 CA GLU B 644 9.881 7.663 -6.432 1.00 0.00 C ATOM 1431 C GLU B 644 8.380 7.630 -6.691 1.00 0.00 C ATOM 1432 O GLU B 644 7.946 7.598 -7.845 1.00 0.00 O ATOM 1433 CB GLU B 644 10.527 8.654 -7.399 1.00 0.00 C ATOM 1434 CG GLU B 644 12.017 8.847 -7.190 1.00 0.00 C ATOM 1435 CD GLU B 644 12.626 9.722 -8.258 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.547 10.958 -8.134 1.00 0.00 O ATOM 1437 OE2 GLU B 644 13.166 9.182 -9.242 1.00 0.00 O1- ATOM 0 H GLU B 644 10.778 6.140 -7.557 1.00 0.00 H new ATOM 0 HA GLU B 644 10.065 7.978 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.356 8.312 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU B 644 10.030 9.619 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.191 9.294 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.512 7.876 -7.190 1.00 0.00 H new ATOM 1444 N VAL B 645 7.590 7.649 -5.632 1.00 0.00 N ATOM 1445 CA VAL B 645 6.151 7.640 -5.761 1.00 0.00 C ATOM 1446 C VAL B 645 5.573 8.943 -5.232 1.00 0.00 C ATOM 1447 O VAL B 645 6.250 9.679 -4.509 1.00 0.00 O ATOM 1448 CB VAL B 645 5.530 6.474 -4.971 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.062 6.376 -5.271 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.235 5.163 -5.275 1.00 0.00 C ATOM 0 H VAL B 645 7.927 7.671 -4.670 1.00 0.00 H new ATOM 0 HA VAL B 645 5.915 7.522 -6.819 1.00 0.00 H new ATOM 0 HB VAL B 645 5.658 6.673 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL B 645 3.630 5.549 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL B 645 3.569 7.305 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.919 6.203 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.773 4.360 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL B 645 6.152 4.943 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.287 5.244 -5.003 1.00 0.00 H new ATOM 1460 N LEU B 646 4.334 9.239 -5.600 1.00 0.00 N ATOM 1461 CA LEU B 646 3.633 10.338 -4.984 1.00 0.00 C ATOM 1462 C LEU B 646 3.346 10.008 -3.528 1.00 0.00 C ATOM 1463 O LEU B 646 2.964 8.889 -3.193 1.00 0.00 O ATOM 1464 CB LEU B 646 2.324 10.687 -5.698 1.00 0.00 C ATOM 1465 CG LEU B 646 2.467 11.255 -7.110 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.291 12.155 -7.446 1.00 0.00 C ATOM 1467 CD2 LEU B 646 3.765 12.018 -7.262 1.00 0.00 C ATOM 0 H LEU B 646 3.806 8.736 -6.313 1.00 0.00 H new ATOM 0 HA LEU B 646 4.281 11.211 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.709 9.788 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.782 11.410 -5.089 1.00 0.00 H new ATOM 0 HG LEU B 646 2.479 10.416 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.411 12.549 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.366 11.581 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.250 12.981 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU B 646 3.840 12.411 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.787 12.844 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.604 11.350 -7.069 1.00 0.00 H new ATOM 1479 N VAL B 647 3.526 10.997 -2.675 1.00 0.00 N ATOM 1480 CA VAL B 647 3.386 10.826 -1.236 1.00 0.00 C ATOM 1481 C VAL B 647 1.941 10.528 -0.844 1.00 0.00 C ATOM 1482 O VAL B 647 1.670 10.048 0.254 1.00 0.00 O ATOM 1483 CB VAL B 647 3.879 12.078 -0.485 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.352 12.328 -0.771 1.00 0.00 C ATOM 1485 CG2 VAL B 647 3.047 13.301 -0.857 1.00 0.00 C ATOM 0 H VAL B 647 3.774 11.945 -2.957 1.00 0.00 H new ATOM 0 HA VAL B 647 4.002 9.973 -0.952 1.00 0.00 H new ATOM 0 HB VAL B 647 3.759 11.899 0.584 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.682 13.216 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.937 11.468 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.494 12.479 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.416 14.171 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL B 647 3.126 13.483 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL B 647 2.004 13.125 -0.595 1.00 0.00 H new ATOM 1495 N GLU B 648 1.023 10.803 -1.756 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.395 10.567 -1.521 1.00 0.00 C ATOM 1497 C GLU B 648 -0.769 9.127 -1.851 1.00 0.00 C ATOM 1498 O GLU B 648 -1.913 8.712 -1.654 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.225 11.535 -2.364 1.00 0.00 C ATOM 1500 CG GLU B 648 -0.813 11.575 -3.824 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.589 12.599 -4.621 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.216 13.793 -4.587 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.567 12.216 -5.291 1.00 0.00 O1- ATOM 0 H GLU B 648 1.236 11.193 -2.674 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.605 10.737 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.276 11.252 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.138 12.537 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU B 648 0.252 11.799 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -0.960 10.589 -4.266 1.00 0.00 H new ATOM 1510 N TYR B 649 0.199 8.370 -2.348 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.032 6.988 -2.727 1.00 0.00 C ATOM 1512 C TYR B 649 0.028 6.096 -1.491 1.00 0.00 C ATOM 1513 O TYR B 649 1.025 6.094 -0.763 1.00 0.00 O ATOM 1514 CB TYR B 649 1.000 6.554 -3.771 1.00 0.00 C ATOM 1515 CG TYR B 649 0.650 5.275 -4.500 1.00 0.00 C ATOM 1516 CD1 TYR B 649 -0.517 5.176 -5.248 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.493 4.174 -4.458 1.00 0.00 C ATOM 1518 CE1 TYR B 649 -0.835 4.015 -5.926 1.00 0.00 C ATOM 1519 CE2 TYR B 649 1.186 3.013 -5.138 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.021 2.937 -5.870 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.287 1.778 -6.548 1.00 0.00 O ATOM 0 H TYR B 649 1.155 8.694 -2.498 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.024 6.893 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.118 7.354 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.964 6.426 -3.280 1.00 0.00 H new ATOM 0 HD1 TYR B 649 -1.187 6.021 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR B 649 2.406 4.226 -3.883 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -1.750 3.953 -6.497 1.00 0.00 H new ATOM 0 HE2 TYR B 649 1.856 2.167 -5.097 1.00 0.00 H new ATOM 0 HH TYR B 649 0.422 1.117 -6.404 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.055 5.352 -1.225 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.165 4.504 -0.036 1.00 0.00 C ATOM 1533 C PRO B 650 -0.252 3.281 -0.089 1.00 0.00 C ATOM 1534 O PRO B 650 0.036 2.749 -1.161 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.632 4.077 -0.043 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.035 4.136 -1.473 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.269 5.283 -2.062 1.00 0.00 C ATOM 0 HA PRO B 650 -0.861 5.035 0.866 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.754 3.072 0.362 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.241 4.743 0.568 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -2.799 3.203 -1.985 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.109 4.291 -1.571 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.025 5.107 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.839 6.211 -2.019 1.00 0.00 H new ATOM 1545 N PHE B 651 0.191 2.843 1.082 1.00 0.00 N ATOM 1546 CA PHE B 651 1.071 1.690 1.198 1.00 0.00 C ATOM 1547 C PHE B 651 0.642 0.799 2.358 1.00 0.00 C ATOM 1548 O PHE B 651 0.800 1.154 3.530 1.00 0.00 O ATOM 1549 CB PHE B 651 2.527 2.128 1.396 1.00 0.00 C ATOM 1550 CG PHE B 651 3.262 2.421 0.116 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.180 3.667 -0.484 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.038 1.443 -0.486 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.857 3.930 -1.660 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.718 1.701 -1.661 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.626 2.947 -2.249 1.00 0.00 C ATOM 0 H PHE B 651 -0.049 3.275 1.974 1.00 0.00 H new ATOM 0 HA PHE B 651 0.998 1.124 0.269 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.545 3.019 2.024 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.060 1.346 1.937 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.581 4.441 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.112 0.466 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.784 4.905 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.320 0.930 -2.118 1.00 0.00 H new ATOM 0 HZ PHE B 651 5.155 3.152 -3.168 1.00 0.00 H new ATOM 1565 N PHE B 652 0.073 -0.347 2.028 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.231 -1.348 3.033 1.00 0.00 C ATOM 1567 C PHE B 652 1.075 -1.901 3.573 1.00 0.00 C ATOM 1568 O PHE B 652 1.957 -2.256 2.800 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.067 -2.476 2.429 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.363 -2.693 3.146 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.388 -3.337 4.368 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.556 -2.247 2.603 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.575 -3.533 5.038 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.749 -2.441 3.270 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.759 -3.084 4.490 1.00 0.00 C ATOM 0 H PHE B 652 -0.187 -0.606 1.076 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.807 -0.894 3.839 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.271 -2.249 1.383 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.489 -3.400 2.448 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.465 -3.691 4.803 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.553 -1.742 1.648 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.579 -4.038 5.993 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.674 -2.090 2.837 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.691 -3.236 5.015 1.00 0.00 H new ATOM 1585 N VAL B 653 1.228 -1.950 4.884 1.00 0.00 N ATOM 1586 CA VAL B 653 2.484 -2.398 5.443 1.00 0.00 C ATOM 1587 C VAL B 653 2.320 -3.750 6.151 1.00 0.00 C ATOM 1588 O VAL B 653 1.380 -3.944 6.920 1.00 0.00 O ATOM 1589 CB VAL B 653 3.094 -1.355 6.397 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.590 -1.514 6.422 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.751 0.066 5.986 1.00 0.00 C ATOM 0 H VAL B 653 0.515 -1.691 5.566 1.00 0.00 H new ATOM 0 HA VAL B 653 3.177 -2.526 4.612 1.00 0.00 H new ATOM 0 HB VAL B 653 2.672 -1.528 7.387 1.00 0.00 H new ATOM 0 HG11 VAL B 653 5.023 -0.776 7.097 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.844 -2.516 6.769 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.988 -1.366 5.418 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.203 0.767 6.688 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.135 0.258 4.984 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.669 0.195 5.990 1.00 0.00 H new ATOM 1601 N PHE B 654 3.286 -4.646 5.906 1.00 0.00 N ATOM 1602 CA PHE B 654 3.187 -6.087 6.216 1.00 0.00 C ATOM 1603 C PHE B 654 2.583 -6.405 7.592 1.00 0.00 C ATOM 1604 O PHE B 654 1.649 -7.194 7.691 1.00 0.00 O ATOM 1605 CB PHE B 654 4.570 -6.731 6.052 1.00 0.00 C ATOM 1606 CG PHE B 654 4.604 -8.207 6.326 1.00 0.00 C ATOM 1607 CD1 PHE B 654 4.053 -9.101 5.424 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.191 -8.702 7.481 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.085 -10.460 5.665 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.226 -10.060 7.727 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.672 -10.941 6.818 1.00 0.00 C ATOM 0 H PHE B 654 4.176 -4.389 5.479 1.00 0.00 H new ATOM 0 HA PHE B 654 2.481 -6.515 5.505 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.921 -6.554 5.035 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.271 -6.233 6.722 1.00 0.00 H new ATOM 0 HD1 PHE B 654 3.592 -8.731 4.520 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.625 -8.018 8.195 1.00 0.00 H new ATOM 0 HE1 PHE B 654 3.651 -11.146 4.952 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.686 -10.434 8.630 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.698 -12.004 7.009 1.00 0.00 H new ATOM 1621 N GLY B 655 3.115 -5.822 8.644 1.00 0.00 N ATOM 1622 CA GLY B 655 2.536 -6.017 9.961 1.00 0.00 C ATOM 1623 C GLY B 655 2.584 -4.737 10.749 1.00 0.00 C ATOM 1624 O GLY B 655 2.480 -4.729 11.976 1.00 0.00 O ATOM 0 H GLY B 655 3.936 -5.217 8.618 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.504 -6.354 9.865 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.079 -6.799 10.492 1.00 0.00 H new ATOM 1628 N GLN B 656 2.734 -3.648 10.014 1.00 0.00 N ATOM 1629 CA GLN B 656 3.019 -2.354 10.599 1.00 0.00 C ATOM 1630 C GLN B 656 1.762 -1.487 10.596 1.00 0.00 C ATOM 1631 O GLN B 656 1.597 -0.625 11.459 1.00 0.00 O ATOM 1632 CB GLN B 656 4.154 -1.662 9.824 1.00 0.00 C ATOM 1633 CG GLN B 656 5.508 -2.378 9.842 1.00 0.00 C ATOM 1634 CD GLN B 656 5.481 -3.780 9.262 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.544 -3.861 7.951 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.380 -4.769 9.977 1.00 0.00 N flip ATOM 0 H GLN B 656 2.661 -3.639 8.997 1.00 0.00 H new ATOM 0 HA GLN B 656 3.339 -2.495 11.631 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.841 -1.544 8.787 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.289 -0.660 10.232 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.229 -1.781 9.284 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.865 -2.430 10.871 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.334 -4.663 10.990 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.342 -5.699 9.559 1.00 0.00 H new ATOM 1645 N GLY B 657 0.881 -1.714 9.620 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.394 -1.017 9.605 1.00 0.00 C ATOM 1647 C GLY B 657 -0.860 -0.626 8.214 1.00 0.00 C ATOM 1648 O GLY B 657 -0.218 -0.948 7.211 1.00 0.00 O ATOM 0 H GLY B 657 1.027 -2.363 8.847 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.150 -1.652 10.067 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.314 -0.119 10.218 1.00 0.00 H new ATOM 1652 N TRP B 658 -1.999 0.057 8.170 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.565 0.581 6.932 1.00 0.00 C ATOM 1654 C TRP B 658 -2.059 2.013 6.737 1.00 0.00 C ATOM 1655 O TRP B 658 -2.655 2.966 7.238 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.103 0.535 7.032 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.870 0.915 5.789 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.213 1.162 5.737 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.384 1.083 4.442 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.593 1.466 4.457 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.495 1.430 3.644 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.129 0.983 3.826 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.390 1.667 2.279 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.031 1.220 2.468 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.155 1.559 1.710 1.00 0.00 C ATOM 0 H TRP B 658 -2.559 0.264 8.997 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.260 -0.016 6.073 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.396 -0.475 7.318 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.412 1.198 7.840 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.880 1.123 6.585 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.543 1.684 4.158 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.253 0.725 4.403 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.256 1.928 1.689 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.069 1.142 1.984 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.043 1.739 0.651 1.00 0.00 H new ATOM 1676 N SER B 659 -0.956 2.158 6.010 1.00 0.00 N ATOM 1677 CA SER B 659 -0.208 3.405 6.013 1.00 0.00 C ATOM 1678 C SER B 659 -0.132 4.056 4.632 1.00 0.00 C ATOM 1679 O SER B 659 -0.549 3.481 3.628 1.00 0.00 O ATOM 1680 CB SER B 659 1.200 3.140 6.550 1.00 0.00 C ATOM 1681 OG SER B 659 1.144 2.541 7.834 1.00 0.00 O ATOM 0 H SER B 659 -0.563 1.429 5.414 1.00 0.00 H new ATOM 0 HA SER B 659 -0.737 4.107 6.657 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.740 2.488 5.863 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.756 4.076 6.604 1.00 0.00 H new ATOM 0 HG SER B 659 2.054 2.378 8.159 1.00 0.00 H new ATOM 1687 N SER B 660 0.339 5.294 4.607 1.00 0.00 N ATOM 1688 CA SER B 660 0.654 5.986 3.367 1.00 0.00 C ATOM 1689 C SER B 660 1.857 6.891 3.590 1.00 0.00 C ATOM 1690 O SER B 660 2.108 7.323 4.719 1.00 0.00 O ATOM 1691 CB SER B 660 -0.549 6.797 2.881 1.00 0.00 C ATOM 1692 OG SER B 660 -1.667 5.952 2.669 1.00 0.00 O ATOM 0 H SER B 660 0.513 5.847 5.446 1.00 0.00 H new ATOM 0 HA SER B 660 0.894 5.253 2.597 1.00 0.00 H new ATOM 0 HB2 SER B 660 -0.799 7.563 3.615 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.296 7.314 1.955 1.00 0.00 H new ATOM 0 HG SER B 660 -2.158 6.252 1.876 1.00 0.00 H new ATOM 1698 N CYS B 661 2.611 7.148 2.519 1.00 0.00 N ATOM 1699 CA CYS B 661 3.822 7.967 2.594 1.00 0.00 C ATOM 1700 C CYS B 661 3.516 9.345 3.164 1.00 0.00 C ATOM 1701 O CYS B 661 4.384 10.004 3.737 1.00 0.00 O ATOM 1702 CB CYS B 661 4.448 8.107 1.206 1.00 0.00 C ATOM 1703 SG CYS B 661 4.895 6.533 0.443 1.00 0.00 S ATOM 0 H CYS B 661 2.402 6.798 1.584 1.00 0.00 H new ATOM 0 HA CYS B 661 4.527 7.469 3.260 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.749 8.630 0.554 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.340 8.729 1.281 1.00 0.00 H new ATOM 0 HG CYS B 661 3.824 5.819 0.261 1.00 0.00 H new ATOM 1709 N CYS B 662 2.274 9.765 3.006 1.00 0.00 N ATOM 1710 CA CYS B 662 1.812 11.029 3.533 1.00 0.00 C ATOM 1711 C CYS B 662 0.322 10.958 3.792 1.00 0.00 C ATOM 1712 O CYS B 662 -0.492 11.276 2.921 1.00 0.00 O ATOM 1713 CB CYS B 662 2.148 12.181 2.584 1.00 0.00 C ATOM 1714 SG CYS B 662 3.864 12.746 2.704 1.00 0.00 S ATOM 0 H CYS B 662 1.559 9.236 2.507 1.00 0.00 H new ATOM 0 HA CYS B 662 2.326 11.224 4.474 1.00 0.00 H new ATOM 0 HB2 CYS B 662 1.949 11.866 1.560 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.483 13.019 2.794 1.00 0.00 H new ATOM 0 HG CYS B 662 4.602 11.792 3.190 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.043 10.518 5.007 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.441 10.374 5.426 1.00 0.00 C ATOM 1722 C PRO B 663 -2.235 11.653 5.241 1.00 0.00 C ATOM 1723 O PRO B 663 -3.455 11.620 5.093 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.329 10.030 6.909 1.00 0.00 C ATOM 1725 CG PRO B 663 0.006 9.395 7.044 1.00 0.00 C ATOM 1726 CD PRO B 663 0.890 10.118 6.074 1.00 0.00 C ATOM 0 HA PRO B 663 -1.968 9.624 4.836 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.409 10.922 7.530 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.124 9.352 7.220 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.383 9.486 8.063 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.040 8.330 6.815 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.371 10.981 6.533 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.684 9.475 5.695 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.525 12.775 5.247 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.134 14.072 5.031 1.00 0.00 C ATOM 1736 C GLU B 664 -2.970 14.051 3.762 1.00 0.00 C ATOM 1737 O GLU B 664 -4.184 14.181 3.818 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.061 15.155 4.932 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.104 15.177 6.113 1.00 0.00 C ATOM 1740 CD GLU B 664 0.823 16.371 6.086 1.00 0.00 C ATOM 1741 OE1 GLU B 664 0.439 17.433 6.614 1.00 0.00 O ATOM 1742 OE2 GLU B 664 1.945 16.254 5.551 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.517 12.807 5.401 1.00 0.00 H new ATOM 0 HA GLU B 664 -2.781 14.298 5.879 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.490 15.005 4.016 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.546 16.128 4.850 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.677 15.187 7.040 1.00 0.00 H new ATOM 0 HG3 GLU B 664 0.488 14.262 6.114 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.320 13.829 2.627 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.999 13.850 1.337 1.00 0.00 C ATOM 1751 C ARG B 665 -4.018 12.726 1.194 1.00 0.00 C ATOM 1752 O ARG B 665 -5.144 12.975 0.779 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.993 13.766 0.195 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.428 15.108 -0.223 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.454 14.957 -1.376 1.00 0.00 C ATOM 1756 NE ARG B 665 0.296 16.182 -1.622 1.00 0.00 N ATOM 1757 CZ ARG B 665 0.613 16.634 -2.831 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.213 15.988 -3.923 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 1.332 17.741 -2.949 1.00 0.00 N ATOM 0 H ARG B 665 -1.321 13.632 2.573 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.536 14.798 1.288 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -1.172 13.114 0.494 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -2.473 13.300 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.241 15.773 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -0.924 15.573 0.624 1.00 0.00 H new ATOM 0 HD2 ARG B 665 0.240 14.144 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -1.000 14.679 -2.278 1.00 0.00 H new ATOM 0 HE ARG B 665 0.597 16.728 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG B 665 -0.343 15.137 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG B 665 0.462 16.344 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG B 665 1.639 18.241 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG B 665 1.578 18.093 -3.874 1.00 0.00 H new ATOM 1773 N THR B 666 -3.640 11.498 1.525 1.00 0.00 N ATOM 1774 CA THR B 666 -4.539 10.367 1.325 1.00 0.00 C ATOM 1775 C THR B 666 -5.850 10.570 2.100 1.00 0.00 C ATOM 1776 O THR B 666 -6.938 10.285 1.593 1.00 0.00 O ATOM 1777 CB THR B 666 -3.869 9.036 1.725 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.523 9.015 1.230 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.637 7.840 1.163 1.00 0.00 C ATOM 0 H THR B 666 -2.733 11.261 1.927 1.00 0.00 H new ATOM 0 HA THR B 666 -4.772 10.314 0.262 1.00 0.00 H new ATOM 0 HB THR B 666 -3.871 8.963 2.813 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.534 8.906 0.256 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.141 6.916 1.461 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.656 7.847 1.551 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.663 7.903 0.075 1.00 0.00 H new ATOM 1787 N SER B 667 -5.745 11.098 3.313 1.00 0.00 N ATOM 1788 CA SER B 667 -6.912 11.426 4.113 1.00 0.00 C ATOM 1789 C SER B 667 -7.566 12.743 3.666 1.00 0.00 C ATOM 1790 O SER B 667 -8.784 12.882 3.711 1.00 0.00 O ATOM 1791 CB SER B 667 -6.514 11.495 5.583 1.00 0.00 C ATOM 1792 OG SER B 667 -6.175 10.209 6.079 1.00 0.00 O ATOM 0 H SER B 667 -4.855 11.309 3.765 1.00 0.00 H new ATOM 0 HA SER B 667 -7.654 10.640 3.971 1.00 0.00 H new ATOM 0 HB2 SER B 667 -5.666 12.170 5.703 1.00 0.00 H new ATOM 0 HB3 SER B 667 -7.336 11.909 6.167 1.00 0.00 H new ATOM 0 HG SER B 667 -5.444 9.834 5.544 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.761 13.709 3.254 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.269 14.985 2.765 1.00 0.00 C ATOM 1800 C GLN B 668 -8.057 14.861 1.472 1.00 0.00 C ATOM 1801 O GLN B 668 -9.186 15.337 1.365 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.115 15.919 2.539 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.885 16.812 3.720 1.00 0.00 C ATOM 1804 CD GLN B 668 -7.092 17.645 4.068 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -7.954 17.226 4.842 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -7.163 18.831 3.509 1.00 0.00 N ATOM 0 H GLN B 668 -5.744 13.634 3.248 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.951 15.367 3.525 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.213 15.341 2.339 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.307 16.527 1.655 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.609 16.204 4.581 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.042 17.471 3.512 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -6.428 19.140 2.873 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -7.954 19.443 3.710 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.457 14.210 0.499 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.971 14.218 -0.858 1.00 0.00 C ATOM 1817 C LEU B 669 -8.991 13.111 -1.067 1.00 0.00 C ATOM 1818 O LEU B 669 -9.960 13.275 -1.807 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.811 14.052 -1.842 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.554 14.873 -1.516 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.478 14.653 -2.565 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.879 16.355 -1.387 1.00 0.00 C ATOM 0 H LEU B 669 -6.605 13.663 0.622 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.470 15.171 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.537 12.998 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.158 14.328 -2.838 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.174 14.527 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.598 15.244 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.209 13.597 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.854 14.959 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -4.969 16.908 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.297 16.719 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.605 16.500 -0.587 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.769 11.986 -0.411 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.612 10.815 -0.607 1.00 0.00 C ATOM 1836 C PHE B 670 -10.425 10.496 0.644 1.00 0.00 C ATOM 1837 O PHE B 670 -11.197 9.536 0.662 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.736 9.619 -0.995 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.830 9.907 -2.159 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -8.339 10.060 -3.437 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.465 10.035 -1.968 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -7.502 10.331 -4.503 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.623 10.307 -3.028 1.00 0.00 C ATOM 1844 CZ PHE B 670 -6.142 10.455 -4.299 1.00 0.00 C ATOM 0 H PHE B 670 -8.014 11.856 0.262 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.319 11.027 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -8.133 9.324 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.376 8.772 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -9.402 9.967 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -6.053 9.921 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.912 10.446 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.560 10.404 -2.863 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.486 10.667 -5.131 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.244 11.320 1.683 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.884 11.108 2.992 1.00 0.00 C ATOM 1856 C ASP B 671 -10.569 9.726 3.535 1.00 0.00 C ATOM 1857 O ASP B 671 -11.292 9.195 4.378 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.401 11.307 2.921 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.819 12.723 3.253 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.892 13.564 2.330 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.084 13.004 4.442 1.00 0.00 O ATOM 0 H ASP B 671 -9.653 12.150 1.643 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.475 11.856 3.671 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.750 11.054 1.920 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.887 10.617 3.611 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.469 9.162 3.076 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.151 7.787 3.370 1.00 0.00 C ATOM 1868 C LEU B 672 -8.015 7.717 4.388 1.00 0.00 C ATOM 1869 O LEU B 672 -6.955 8.316 4.199 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.822 7.071 2.053 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.951 5.545 2.031 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -7.747 4.870 2.639 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -10.247 5.074 2.687 1.00 0.00 C ATOM 0 H LEU B 672 -8.780 9.641 2.496 1.00 0.00 H new ATOM 0 HA LEU B 672 -10.001 7.279 3.825 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.473 7.476 1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.799 7.327 1.776 1.00 0.00 H new ATOM 0 HG LEU B 672 -8.993 5.248 0.983 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -7.879 3.789 2.603 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -6.854 5.145 2.078 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -7.636 5.188 3.676 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -10.299 3.986 2.650 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -10.270 5.403 3.726 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -11.099 5.496 2.154 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.240 6.984 5.488 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.335 6.963 6.638 1.00 0.00 C ATOM 1887 C PRO B 673 -6.044 6.218 6.348 1.00 0.00 C ATOM 1888 O PRO B 673 -6.041 5.183 5.681 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.143 6.237 7.710 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.057 5.346 6.946 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.380 6.074 5.669 1.00 0.00 C ATOM 0 HA PRO B 673 -7.021 7.966 6.927 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.496 5.666 8.376 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.700 6.939 8.331 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -8.582 4.387 6.738 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -9.963 5.137 7.515 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.480 5.385 4.830 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.320 6.620 5.746 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.951 6.753 6.852 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.645 6.182 6.608 1.00 0.00 C ATOM 1901 C CYS B 674 -2.693 6.494 7.750 1.00 0.00 C ATOM 1902 O CYS B 674 -2.594 7.634 8.199 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.099 6.721 5.287 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.809 8.311 4.814 1.00 0.00 S ATOM 0 H CYS B 674 -4.943 7.588 7.437 1.00 0.00 H new ATOM 0 HA CYS B 674 -3.737 5.098 6.545 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.017 6.823 5.364 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -3.295 5.995 4.498 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.078 8.165 4.573 1.00 0.00 H new ATOM 1910 N SER B 675 -2.028 5.466 8.242 1.00 0.00 N ATOM 1911 CA SER B 675 -0.974 5.636 9.219 1.00 0.00 C ATOM 1912 C SER B 675 0.284 6.119 8.508 1.00 0.00 C ATOM 1913 O SER B 675 0.385 6.018 7.285 1.00 0.00 O ATOM 1914 CB SER B 675 -0.729 4.313 9.945 1.00 0.00 C ATOM 1915 OG SER B 675 -1.941 3.816 10.495 1.00 0.00 O ATOM 0 H SER B 675 -2.203 4.497 7.977 1.00 0.00 H new ATOM 0 HA SER B 675 -1.261 6.379 9.963 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.311 3.583 9.252 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.005 4.457 10.738 1.00 0.00 H new ATOM 0 HG SER B 675 -1.768 2.968 10.955 1.00 0.00 H new ATOM 1921 N LYS B 676 1.223 6.683 9.245 1.00 0.00 N ATOM 1922 CA LYS B 676 2.417 7.222 8.623 1.00 0.00 C ATOM 1923 C LYS B 676 3.349 6.113 8.155 1.00 0.00 C ATOM 1924 O LYS B 676 3.913 5.372 8.963 1.00 0.00 O ATOM 1925 CB LYS B 676 3.163 8.166 9.564 1.00 0.00 C ATOM 1926 CG LYS B 676 4.404 8.780 8.931 1.00 0.00 C ATOM 1927 CD LYS B 676 4.059 9.512 7.640 1.00 0.00 C ATOM 1928 CE LYS B 676 5.252 10.263 7.071 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.687 11.374 7.956 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.184 6.779 10.260 1.00 0.00 H new ATOM 0 HA LYS B 676 2.090 7.791 7.753 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.490 8.964 9.878 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.452 7.621 10.462 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.868 9.473 9.632 1.00 0.00 H new ATOM 0 HG3 LYS B 676 5.135 7.998 8.725 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.698 8.795 6.903 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.246 10.213 7.828 1.00 0.00 H new ATOM 0 HE2 LYS B 676 6.081 9.570 6.926 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.995 10.661 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.347 11.990 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.857 11.927 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.161 10.984 8.795 1.00 0.00 H new ATOM 1943 N LEU B 677 3.487 6.006 6.843 1.00 0.00 N ATOM 1944 CA LEU B 677 4.459 5.110 6.248 1.00 0.00 C ATOM 1945 C LEU B 677 5.816 5.791 6.292 1.00 0.00 C ATOM 1946 O LEU B 677 6.013 6.841 5.678 1.00 0.00 O ATOM 1947 CB LEU B 677 4.050 4.765 4.802 1.00 0.00 C ATOM 1948 CG LEU B 677 4.913 3.733 4.052 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.212 4.343 3.542 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.203 2.537 4.940 1.00 0.00 C ATOM 0 H LEU B 677 2.933 6.533 6.168 1.00 0.00 H new ATOM 0 HA LEU B 677 4.506 4.173 6.802 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.024 4.398 4.820 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.048 5.688 4.222 1.00 0.00 H new ATOM 0 HG LEU B 677 4.344 3.400 3.184 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.791 3.582 3.019 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.986 5.161 2.858 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.790 4.724 4.384 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.814 1.818 4.394 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.739 2.866 5.830 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.265 2.067 5.234 1.00 0.00 H new ATOM 1962 N SER B 678 6.726 5.233 7.061 1.00 0.00 N ATOM 1963 CA SER B 678 8.062 5.780 7.155 1.00 0.00 C ATOM 1964 C SER B 678 9.108 4.677 7.193 1.00 0.00 C ATOM 1965 O SER B 678 8.783 3.492 7.132 1.00 0.00 O ATOM 1966 CB SER B 678 8.179 6.682 8.383 1.00 0.00 C ATOM 1967 OG SER B 678 7.297 7.784 8.272 1.00 0.00 O ATOM 0 H SER B 678 6.565 4.402 7.630 1.00 0.00 H new ATOM 0 HA SER B 678 8.248 6.379 6.264 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.948 6.113 9.283 1.00 0.00 H new ATOM 0 HB3 SER B 678 9.204 7.038 8.485 1.00 0.00 H new ATOM 0 HG SER B 678 7.382 8.352 9.066 1.00 0.00 H new ATOM 1973 N VAL B 679 10.367 5.079 7.268 1.00 0.00 N ATOM 1974 CA VAL B 679 11.473 4.150 7.322 1.00 0.00 C ATOM 1975 C VAL B 679 11.325 3.178 8.495 1.00 0.00 C ATOM 1976 O VAL B 679 11.041 3.580 9.624 1.00 0.00 O ATOM 1977 CB VAL B 679 12.809 4.922 7.383 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.738 6.054 8.393 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.969 3.996 7.689 1.00 0.00 C ATOM 0 H VAL B 679 10.646 6.060 7.293 1.00 0.00 H new ATOM 0 HA VAL B 679 11.469 3.549 6.412 1.00 0.00 H new ATOM 0 HB VAL B 679 12.983 5.357 6.399 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.692 6.581 8.416 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.947 6.747 8.108 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.525 5.647 9.381 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.894 4.571 7.725 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.805 3.513 8.652 1.00 0.00 H new ATOM 0 HG23 VAL B 679 14.044 3.237 6.910 1.00 0.00 H new ATOM 1989 N GLY B 680 11.498 1.897 8.203 1.00 0.00 N ATOM 1990 CA GLY B 680 11.250 0.858 9.181 1.00 0.00 C ATOM 1991 C GLY B 680 10.052 0.006 8.821 1.00 0.00 C ATOM 1992 O GLY B 680 9.940 -1.136 9.268 1.00 0.00 O ATOM 0 H GLY B 680 11.810 1.556 7.294 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.132 0.224 9.266 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.089 1.313 10.158 1.00 0.00 H new ATOM 1996 N ASP B 681 9.162 0.547 8.000 1.00 0.00 N ATOM 1997 CA ASP B 681 7.932 -0.157 7.660 1.00 0.00 C ATOM 1998 C ASP B 681 8.135 -1.067 6.459 1.00 0.00 C ATOM 1999 O ASP B 681 8.253 -0.602 5.328 1.00 0.00 O ATOM 2000 CB ASP B 681 6.790 0.818 7.357 1.00 0.00 C ATOM 2001 CG ASP B 681 6.319 1.601 8.567 1.00 0.00 C ATOM 2002 OD1 ASP B 681 5.731 0.988 9.479 1.00 0.00 O ATOM 2003 OD2 ASP B 681 6.509 2.835 8.606 1.00 0.00 O1- ATOM 0 H ASP B 681 9.266 1.462 7.561 1.00 0.00 H new ATOM 0 HA ASP B 681 7.665 -0.757 8.530 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.116 1.517 6.587 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.948 0.261 6.946 1.00 0.00 H new ATOM 2008 N VAL B 682 8.169 -2.370 6.695 1.00 0.00 N ATOM 2009 CA VAL B 682 8.252 -3.313 5.593 1.00 0.00 C ATOM 2010 C VAL B 682 6.924 -3.369 4.849 1.00 0.00 C ATOM 2011 O VAL B 682 5.939 -3.936 5.322 1.00 0.00 O ATOM 2012 CB VAL B 682 8.724 -4.720 6.047 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.185 -5.078 7.406 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.351 -5.789 5.035 1.00 0.00 C ATOM 0 H VAL B 682 8.141 -2.792 7.623 1.00 0.00 H new ATOM 0 HA VAL B 682 9.017 -2.953 4.905 1.00 0.00 H new ATOM 0 HB VAL B 682 9.811 -4.678 6.114 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.538 -6.070 7.688 1.00 0.00 H new ATOM 0 HG12 VAL B 682 8.531 -4.348 8.138 1.00 0.00 H new ATOM 0 HG13 VAL B 682 7.095 -5.075 7.378 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.698 -6.760 5.387 1.00 0.00 H new ATOM 0 HG22 VAL B 682 7.268 -5.813 4.913 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.819 -5.562 4.077 1.00 0.00 H new ATOM 2024 N CYS B 683 6.919 -2.775 3.671 1.00 0.00 N ATOM 2025 CA CYS B 683 5.694 -2.567 2.924 1.00 0.00 C ATOM 2026 C CYS B 683 5.207 -3.843 2.281 1.00 0.00 C ATOM 2027 O CYS B 683 5.997 -4.702 1.886 1.00 0.00 O ATOM 2028 CB CYS B 683 5.903 -1.490 1.861 1.00 0.00 C ATOM 2029 SG CYS B 683 6.007 0.183 2.536 1.00 0.00 S ATOM 0 H CYS B 683 7.758 -2.425 3.208 1.00 0.00 H new ATOM 0 HA CYS B 683 4.929 -2.238 3.628 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.818 -1.708 1.310 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.082 -1.534 1.145 1.00 0.00 H new ATOM 0 HG CYS B 683 6.856 0.880 1.840 1.00 0.00 H new ATOM 2035 N ILE B 684 3.899 -3.962 2.205 1.00 0.00 N ATOM 2036 CA ILE B 684 3.284 -5.037 1.481 1.00 0.00 C ATOM 2037 C ILE B 684 3.242 -4.672 0.015 1.00 0.00 C ATOM 2038 O ILE B 684 2.400 -3.882 -0.416 1.00 0.00 O ATOM 2039 CB ILE B 684 1.845 -5.316 1.948 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.842 -5.906 3.345 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.135 -6.254 0.980 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.454 -6.045 3.921 1.00 0.00 C ATOM 0 H ILE B 684 3.241 -3.317 2.643 1.00 0.00 H new ATOM 0 HA ILE B 684 3.876 -5.934 1.660 1.00 0.00 H new ATOM 0 HB ILE B 684 1.307 -4.368 1.968 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.320 -6.885 3.321 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.441 -5.275 4.002 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.119 -6.437 1.330 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.101 -5.798 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.676 -7.199 0.926 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.516 -6.473 4.922 1.00 0.00 H new ATOM 0 HD12 ILE B 684 -0.018 -5.064 3.974 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.141 -6.699 3.283 1.00 0.00 H new ATOM 2054 N SER B 685 4.159 -5.208 -0.741 1.00 0.00 N ATOM 2055 CA SER B 685 4.109 -5.041 -2.164 1.00 0.00 C ATOM 2056 C SER B 685 3.467 -6.285 -2.749 1.00 0.00 C ATOM 2057 O SER B 685 4.002 -7.382 -2.636 1.00 0.00 O ATOM 2058 CB SER B 685 5.526 -4.809 -2.677 1.00 0.00 C ATOM 2059 OG SER B 685 6.131 -3.760 -1.941 1.00 0.00 O ATOM 0 H SER B 685 4.945 -5.760 -0.398 1.00 0.00 H new ATOM 0 HA SER B 685 3.514 -4.178 -2.462 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.113 -5.722 -2.579 1.00 0.00 H new ATOM 0 HB3 SER B 685 5.503 -4.557 -3.737 1.00 0.00 H new ATOM 0 HG SER B 685 6.825 -4.129 -1.355 1.00 0.00 H new ATOM 2065 N LEU B 686 2.311 -6.117 -3.352 1.00 0.00 N ATOM 2066 CA LEU B 686 1.527 -7.248 -3.766 1.00 0.00 C ATOM 2067 C LEU B 686 1.425 -7.314 -5.270 1.00 0.00 C ATOM 2068 O LEU B 686 1.045 -6.341 -5.925 1.00 0.00 O ATOM 2069 CB LEU B 686 0.152 -7.164 -3.125 1.00 0.00 C ATOM 2070 CG LEU B 686 -0.296 -8.438 -2.431 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.290 -8.121 -1.342 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.899 -9.394 -3.437 1.00 0.00 C ATOM 0 H LEU B 686 1.898 -5.209 -3.564 1.00 0.00 H new ATOM 0 HA LEU B 686 2.017 -8.164 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU B 686 0.152 -6.350 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.578 -6.907 -3.892 1.00 0.00 H new ATOM 0 HG LEU B 686 0.573 -8.914 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.602 -9.044 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -0.828 -7.461 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -2.160 -7.628 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.217 -10.304 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU B 686 -1.760 -8.925 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.155 -9.642 -4.194 1.00 0.00 H new ATOM 2084 N THR B 687 1.762 -8.468 -5.803 1.00 0.00 N ATOM 2085 CA THR B 687 1.806 -8.654 -7.233 1.00 0.00 C ATOM 2086 C THR B 687 0.544 -9.347 -7.735 1.00 0.00 C ATOM 2087 O THR B 687 0.061 -10.313 -7.137 1.00 0.00 O ATOM 2088 CB THR B 687 3.061 -9.458 -7.649 1.00 0.00 C ATOM 2089 OG1 THR B 687 3.152 -9.543 -9.076 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.047 -10.860 -7.056 1.00 0.00 C ATOM 0 H THR B 687 2.011 -9.296 -5.261 1.00 0.00 H new ATOM 0 HA THR B 687 1.861 -7.667 -7.692 1.00 0.00 H new ATOM 0 HB THR B 687 3.931 -8.928 -7.261 1.00 0.00 H new ATOM 0 HG1 THR B 687 3.952 -10.053 -9.323 1.00 0.00 H new ATOM 0 HG21 THR B 687 3.943 -11.396 -7.369 1.00 0.00 H new ATOM 0 HG22 THR B 687 3.024 -10.795 -5.968 1.00 0.00 H new ATOM 0 HG23 THR B 687 2.164 -11.394 -7.406 1.00 0.00 H new ATOM 2098 N LEU B 688 -0.011 -8.802 -8.804 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.123 -9.420 -9.499 1.00 0.00 C ATOM 2100 C LEU B 688 -0.596 -10.181 -10.708 1.00 0.00 C ATOM 2101 O LEU B 688 -0.268 -9.579 -11.732 1.00 0.00 O ATOM 2102 CB LEU B 688 -2.134 -8.352 -9.940 1.00 0.00 C ATOM 2103 CG LEU B 688 -3.328 -8.115 -9.002 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -4.349 -9.230 -9.152 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.879 -7.996 -7.548 1.00 0.00 C ATOM 0 H LEU B 688 0.297 -7.920 -9.213 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.630 -10.114 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.603 -7.408 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.520 -8.630 -10.921 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.793 -7.171 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -5.188 -9.047 -8.481 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.707 -9.260 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.885 -10.184 -8.902 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.748 -7.829 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.379 -8.916 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -2.189 -7.158 -7.448 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.480 -11.495 -10.567 1.00 0.00 N ATOM 2118 CA LYS B 689 0.043 -12.341 -11.629 1.00 0.00 C ATOM 2119 C LYS B 689 -0.824 -12.265 -12.878 1.00 0.00 C ATOM 2120 O LYS B 689 -0.399 -11.618 -13.859 1.00 0.00 O ATOM 2121 CB LYS B 689 0.160 -13.781 -11.152 1.00 0.00 C ATOM 2122 CG LYS B 689 1.364 -14.017 -10.258 1.00 0.00 C ATOM 2123 CD LYS B 689 2.669 -13.781 -11.002 1.00 0.00 C ATOM 2124 CE LYS B 689 2.791 -14.680 -12.222 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.094 -14.510 -12.911 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -1.931 -12.834 -12.870 1.00 0.00 O ATOM 0 H LYS B 689 -0.743 -12.000 -9.721 1.00 0.00 H new ATOM 0 HA LYS B 689 1.036 -11.974 -11.889 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.746 -14.053 -10.610 1.00 0.00 H new ATOM 0 HB3 LYS B 689 0.223 -14.440 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.312 -13.354 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.341 -15.038 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.728 -12.738 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.509 -13.962 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.675 -15.720 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS B 689 1.982 -14.459 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.135 -15.141 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.195 -13.523 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 4.866 -14.746 -12.256 1.00 0.00 H new TER 2140 LYS B 689