USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.485 K(o=-0.49,f=-2.2!) USER MOD Single : A 70 ASN : amide:sc= -0.792 K(o=-0.79,f=-7.4!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.98 K(o=-0.98,f=-4.3!) USER MOD Single : A 81 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.28) USER MOD Single : B 542 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : B 546 THR OG1 : rot 180:sc= 0 USER MOD Single : B 548 SER OG : rot 180:sc= 0 USER MOD Single : B 549 MET CE :methyl 169:sc= -0.501 (180deg=-0.774) USER MOD Single : B 552 SER OG : rot 180:sc= 0 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 558 GLN : amide:sc= -1.04 K(o=-1,f=-2.5) USER MOD Single : B 559 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.55) USER MOD Single : B 560 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 561 MET CE :methyl -114:sc= -1.28 (180deg=-2.76) USER MOD Single : B 571 GLN : amide:sc= -1.76 X(o=-1.8,f=-2.1) USER MOD Single : B 573 MET CE :methyl -132:sc= -2.24 (180deg=-6.95!) USER MOD Single : B 574 HIS : no HD1:sc= -8.05! C(o=-8!,f=-8.2!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.612 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 170:sc= 0 USER MOD Single : B 584 MET CE :methyl 169:sc= -6.74! (180deg=-7.63!) USER MOD Single : B 590 ASN : amide:sc= -4.05! C(o=-4.1!,f=-8.9!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.77) USER MOD Single : B 596 MET CE :methyl -152:sc= -2.83 (180deg=-4.91!) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= -0.332 USER MOD Single : B 605 SER OG : rot 96:sc= 1.22 USER MOD Single : B 606 LYS NZ :NH3+ 165:sc= -0.857 (180deg=-0.903) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 617 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : B 618 GLN : amide:sc= -0.294 K(o=-0.29,f=-3.6!) USER MOD Single : B 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 64 -0.918 -0.849 -1.253 1.00 0.00 N ATOM 2 CA ALA A 64 0.388 -0.508 -1.803 1.00 0.00 C ATOM 3 C ALA A 64 0.983 -1.684 -2.572 1.00 0.00 C ATOM 4 O ALA A 64 0.816 -2.840 -2.184 1.00 0.00 O ATOM 5 CB ALA A 64 1.331 -0.069 -0.693 1.00 0.00 C ATOM 0 HA ALA A 64 0.256 0.320 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.302 0.182 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.918 0.805 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.449 -0.880 0.026 1.00 0.00 H new ATOM 11 N PHE A 65 1.676 -1.380 -3.664 1.00 0.00 N ATOM 12 CA PHE A 65 2.295 -2.412 -4.488 1.00 0.00 C ATOM 13 C PHE A 65 3.805 -2.212 -4.567 1.00 0.00 C ATOM 14 O PHE A 65 4.282 -1.131 -4.913 1.00 0.00 O ATOM 15 CB PHE A 65 1.693 -2.400 -5.894 1.00 0.00 C ATOM 16 CG PHE A 65 1.499 -1.019 -6.452 1.00 0.00 C ATOM 17 CD1 PHE A 65 0.339 -0.308 -6.188 1.00 0.00 C ATOM 18 CD2 PHE A 65 2.476 -0.432 -7.240 1.00 0.00 C ATOM 19 CE1 PHE A 65 0.158 0.963 -6.699 1.00 0.00 C ATOM 20 CE2 PHE A 65 2.300 0.839 -7.753 1.00 0.00 C ATOM 21 CZ PHE A 65 1.139 1.537 -7.484 1.00 0.00 C ATOM 0 H PHE A 65 1.823 -0.428 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 65 2.099 -3.379 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.342 -2.966 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.732 -2.913 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.432 -0.752 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.385 -0.974 -7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.750 1.507 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.070 1.286 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.998 2.529 -7.886 1.00 0.00 H new ATOM 31 N SER A 66 4.553 -3.262 -4.244 1.00 0.00 N ATOM 32 CA SER A 66 6.010 -3.201 -4.274 1.00 0.00 C ATOM 33 C SER A 66 6.517 -3.032 -5.703 1.00 0.00 C ATOM 34 O SER A 66 7.477 -2.302 -5.950 1.00 0.00 O ATOM 35 CB SER A 66 6.607 -4.467 -3.655 1.00 0.00 C ATOM 36 OG SER A 66 6.179 -5.625 -4.351 1.00 0.00 O ATOM 0 H SER A 66 4.174 -4.165 -3.959 1.00 0.00 H new ATOM 0 HA SER A 66 6.325 -2.336 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.695 -4.408 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.312 -4.538 -2.608 1.00 0.00 H new ATOM 0 HG SER A 66 6.575 -6.420 -3.938 1.00 0.00 H new ATOM 42 N ARG A 67 5.865 -3.712 -6.640 1.00 0.00 N ATOM 43 CA ARG A 67 6.250 -3.638 -8.044 1.00 0.00 C ATOM 44 C ARG A 67 6.352 -2.187 -8.505 1.00 0.00 C ATOM 45 O ARG A 67 5.924 -1.272 -7.802 1.00 0.00 O ATOM 46 CB ARG A 67 5.238 -4.390 -8.912 1.00 0.00 C ATOM 47 CG ARG A 67 3.856 -3.758 -8.921 1.00 0.00 C ATOM 48 CD ARG A 67 2.997 -4.314 -10.046 1.00 0.00 C ATOM 49 NE ARG A 67 3.602 -4.094 -11.357 1.00 0.00 N ATOM 50 CZ ARG A 67 3.284 -4.794 -12.440 1.00 0.00 C ATOM 51 NH1 ARG A 67 2.372 -5.753 -12.369 1.00 0.00 N ATOM 52 NH2 ARG A 67 3.878 -4.534 -13.598 1.00 0.00 N ATOM 0 H ARG A 67 5.068 -4.320 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 67 7.229 -4.104 -8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.613 -4.438 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.157 -5.416 -8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.366 -3.938 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.949 -2.678 -9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.845 -5.382 -9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.014 -3.844 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 67 4.307 -3.363 -11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.912 -5.955 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.130 -6.289 -13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.580 -3.796 -13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.633 -5.072 -14.429 1.00 0.00 H new ATOM 66 N GLN A 68 6.923 -1.986 -9.688 1.00 0.00 N ATOM 67 CA GLN A 68 7.082 -0.646 -10.241 1.00 0.00 C ATOM 68 C GLN A 68 5.758 0.110 -10.225 1.00 0.00 C ATOM 69 O GLN A 68 4.687 -0.493 -10.147 1.00 0.00 O ATOM 70 CB GLN A 68 7.623 -0.722 -11.670 1.00 0.00 C ATOM 71 CG GLN A 68 6.569 -1.095 -12.700 1.00 0.00 C ATOM 72 CD GLN A 68 7.120 -1.971 -13.808 1.00 0.00 C ATOM 73 OE1 GLN A 68 8.323 -2.229 -13.871 1.00 0.00 O ATOM 74 NE2 GLN A 68 6.241 -2.436 -14.688 1.00 0.00 N ATOM 0 H GLN A 68 7.283 -2.733 -10.282 1.00 0.00 H new ATOM 0 HA GLN A 68 7.795 -0.106 -9.619 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.056 0.242 -11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.430 -1.454 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.750 -1.616 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.153 -0.186 -13.134 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.254 -2.197 -14.598 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.553 -3.032 -15.454 1.00 0.00 H new ATOM 83 N LEU A 69 5.839 1.434 -10.299 1.00 0.00 N ATOM 84 CA LEU A 69 4.646 2.275 -10.293 1.00 0.00 C ATOM 85 C LEU A 69 4.529 3.064 -11.593 1.00 0.00 C ATOM 86 O LEU A 69 5.336 2.896 -12.507 1.00 0.00 O ATOM 87 CB LEU A 69 4.680 3.234 -9.102 1.00 0.00 C ATOM 88 CG LEU A 69 5.979 4.018 -8.908 1.00 0.00 C ATOM 89 CD1 LEU A 69 6.025 5.215 -9.845 1.00 0.00 C ATOM 90 CD2 LEU A 69 6.121 4.465 -7.461 1.00 0.00 C ATOM 0 H LEU A 69 6.717 1.948 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 69 3.775 1.626 -10.204 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.862 3.946 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.485 2.662 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 69 6.816 3.362 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.956 5.761 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.971 4.871 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.181 5.873 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.051 5.021 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.279 5.104 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.135 3.591 -6.810 1.00 0.00 H new ATOM 102 N ASN A 70 3.521 3.927 -11.667 1.00 0.00 N ATOM 103 CA ASN A 70 3.300 4.744 -12.855 1.00 0.00 C ATOM 104 C ASN A 70 3.788 6.172 -12.631 1.00 0.00 C ATOM 105 O ASN A 70 3.557 6.760 -11.574 1.00 0.00 O ATOM 106 CB ASN A 70 1.816 4.752 -13.224 1.00 0.00 C ATOM 107 CG ASN A 70 1.491 5.779 -14.292 1.00 0.00 C ATOM 108 OD1 ASN A 70 2.179 5.871 -15.309 1.00 0.00 O ATOM 109 ND2 ASN A 70 0.439 6.556 -14.066 1.00 0.00 N ATOM 0 H ASN A 70 2.845 4.079 -10.919 1.00 0.00 H new ATOM 0 HA ASN A 70 3.869 4.309 -13.676 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.527 3.762 -13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.224 4.959 -12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.172 7.265 -14.749 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.103 6.445 -13.209 1.00 0.00 H new ATOM 116 N VAL A 71 4.463 6.725 -13.634 1.00 0.00 N ATOM 117 CA VAL A 71 4.982 8.085 -13.548 1.00 0.00 C ATOM 118 C VAL A 71 3.970 9.094 -14.077 1.00 0.00 C ATOM 119 O VAL A 71 4.035 10.280 -13.757 1.00 0.00 O ATOM 120 CB VAL A 71 6.298 8.234 -14.334 1.00 0.00 C ATOM 121 CG1 VAL A 71 6.086 7.892 -15.801 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.854 9.642 -14.181 1.00 0.00 C ATOM 0 H VAL A 71 4.663 6.252 -14.515 1.00 0.00 H new ATOM 0 HA VAL A 71 5.172 8.285 -12.494 1.00 0.00 H new ATOM 0 HB VAL A 71 7.026 7.534 -13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.027 8.003 -16.340 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.737 6.863 -15.888 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.342 8.565 -16.228 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.784 9.729 -14.743 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.131 10.362 -14.563 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.046 9.845 -13.127 1.00 0.00 H new ATOM 132 N ASN A 72 3.034 8.614 -14.890 1.00 0.00 N ATOM 133 CA ASN A 72 2.006 9.475 -15.464 1.00 0.00 C ATOM 134 C ASN A 72 1.008 9.917 -14.398 1.00 0.00 C ATOM 135 O ASN A 72 0.211 10.827 -14.620 1.00 0.00 O ATOM 136 CB ASN A 72 1.274 8.746 -16.593 1.00 0.00 C ATOM 137 CG ASN A 72 1.926 8.970 -17.944 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.412 9.716 -18.778 1.00 0.00 O ATOM 139 ND2 ASN A 72 3.064 8.323 -18.166 1.00 0.00 N ATOM 0 H ASN A 72 2.966 7.634 -15.166 1.00 0.00 H new ATOM 0 HA ASN A 72 2.494 10.362 -15.869 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.250 7.678 -16.377 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.239 9.087 -16.631 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.549 8.434 -19.057 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.454 7.715 -17.446 1.00 0.00 H new ATOM 146 N ALA A 73 1.060 9.266 -13.241 1.00 0.00 N ATOM 147 CA ALA A 73 0.163 9.593 -12.139 1.00 0.00 C ATOM 148 C ALA A 73 0.273 11.066 -11.761 1.00 0.00 C ATOM 149 O ALA A 73 1.351 11.551 -11.415 1.00 0.00 O ATOM 150 CB ALA A 73 0.463 8.713 -10.935 1.00 0.00 C ATOM 0 H ALA A 73 1.714 8.509 -13.042 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.859 9.404 -12.467 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.214 8.968 -10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.326 7.666 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.493 8.873 -10.615 1.00 0.00 H new ATOM 156 N LYS A 74 -0.848 11.775 -11.829 1.00 0.00 N ATOM 157 CA LYS A 74 -0.879 13.194 -11.493 1.00 0.00 C ATOM 158 C LYS A 74 -0.252 13.443 -10.125 1.00 0.00 C ATOM 159 O LYS A 74 -0.116 12.536 -9.304 1.00 0.00 O ATOM 160 CB LYS A 74 -2.319 13.711 -11.508 1.00 0.00 C ATOM 161 CG LYS A 74 -2.764 14.230 -12.865 1.00 0.00 C ATOM 162 CD LYS A 74 -4.266 14.461 -12.908 1.00 0.00 C ATOM 163 CE LYS A 74 -5.025 13.156 -13.094 1.00 0.00 C ATOM 164 NZ LYS A 74 -6.457 13.287 -12.707 1.00 0.00 N ATOM 0 H LYS A 74 -1.749 11.390 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.298 13.732 -12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.988 12.908 -11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.417 14.510 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.245 15.162 -13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.482 13.516 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.588 14.942 -11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.507 15.143 -13.723 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.958 12.842 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.557 12.375 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.939 12.377 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.522 13.562 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.911 14.014 -13.296 1.00 0.00 H new ATOM 178 N PRO A 75 0.137 14.701 -9.871 1.00 0.00 N ATOM 179 CA PRO A 75 0.753 15.098 -8.602 1.00 0.00 C ATOM 180 C PRO A 75 -0.236 15.067 -7.442 1.00 0.00 C ATOM 181 O PRO A 75 -0.376 14.052 -6.760 1.00 0.00 O ATOM 182 CB PRO A 75 1.220 16.532 -8.868 1.00 0.00 C ATOM 183 CG PRO A 75 0.323 17.028 -9.949 1.00 0.00 C ATOM 184 CD PRO A 75 0.005 15.833 -10.804 1.00 0.00 C ATOM 0 HA PRO A 75 1.555 14.421 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.138 17.148 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.265 16.557 -9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.586 17.463 -9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.811 17.808 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.000 15.894 -11.222 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.695 15.744 -11.643 1.00 0.00 H new ATOM 192 N PHE A 76 -0.922 16.184 -7.225 1.00 0.00 N ATOM 193 CA PHE A 76 -1.899 16.284 -6.146 1.00 0.00 C ATOM 194 C PHE A 76 -2.677 17.593 -6.238 1.00 0.00 C ATOM 195 O PHE A 76 -2.596 18.309 -7.236 1.00 0.00 O ATOM 196 CB PHE A 76 -1.202 16.186 -4.788 1.00 0.00 C ATOM 197 CG PHE A 76 -0.291 17.344 -4.496 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.882 17.518 -5.212 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.608 18.258 -3.504 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.722 18.583 -4.946 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.228 19.325 -3.234 1.00 0.00 C ATOM 202 CZ PHE A 76 1.395 19.487 -3.955 1.00 0.00 C ATOM 0 H PHE A 76 -0.820 17.033 -7.782 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.601 15.456 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.957 16.122 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.625 15.262 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.143 16.813 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.518 18.135 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.633 18.708 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.031 20.032 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.050 20.319 -3.744 1.00 0.00 H new ATOM 212 N VAL A 77 -3.433 17.900 -5.188 1.00 0.00 N ATOM 213 CA VAL A 77 -4.226 19.123 -5.148 1.00 0.00 C ATOM 214 C VAL A 77 -3.657 20.114 -4.139 1.00 0.00 C ATOM 215 O VAL A 77 -4.116 20.211 -3.000 1.00 0.00 O ATOM 216 CB VAL A 77 -5.695 18.827 -4.789 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.497 20.118 -4.718 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.305 17.865 -5.797 1.00 0.00 C ATOM 0 H VAL A 77 -3.513 17.318 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.184 19.561 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.724 18.355 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.532 19.890 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.071 20.770 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.464 20.621 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.343 17.667 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.266 18.308 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.744 16.930 -5.793 1.00 0.00 H new ATOM 228 N PRO A 78 -2.634 20.869 -4.564 1.00 0.00 N ATOM 229 CA PRO A 78 -1.981 21.869 -3.713 1.00 0.00 C ATOM 230 C PRO A 78 -2.879 23.069 -3.434 1.00 0.00 C ATOM 231 O PRO A 78 -4.064 23.058 -3.762 1.00 0.00 O ATOM 232 CB PRO A 78 -0.761 22.292 -4.536 1.00 0.00 C ATOM 233 CG PRO A 78 -1.144 22.017 -5.949 1.00 0.00 C ATOM 234 CD PRO A 78 -2.036 20.807 -5.908 1.00 0.00 C ATOM 0 HA PRO A 78 -1.731 21.468 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.529 23.347 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.126 21.727 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.663 22.870 -6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.263 21.832 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.796 20.842 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.471 19.886 -6.054 1.00 0.00 H new ATOM 242 N ASN A 79 -2.305 24.103 -2.827 1.00 0.00 N ATOM 243 CA ASN A 79 -3.054 25.312 -2.505 1.00 0.00 C ATOM 244 C ASN A 79 -3.273 26.165 -3.750 1.00 0.00 C ATOM 245 O ASN A 79 -2.731 27.264 -3.866 1.00 0.00 O ATOM 246 CB ASN A 79 -2.317 26.125 -1.439 1.00 0.00 C ATOM 247 CG ASN A 79 -0.872 26.392 -1.813 1.00 0.00 C ATOM 248 OD1 ASN A 79 -0.487 26.268 -2.975 1.00 0.00 O ATOM 249 ND2 ASN A 79 -0.064 26.761 -0.825 1.00 0.00 N ATOM 0 H ASN A 79 -1.324 24.128 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.027 25.013 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.832 27.074 -1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.351 25.590 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.919 26.954 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.427 26.851 0.124 1.00 0.00 H new ATOM 256 N VAL A 80 -4.073 25.652 -4.680 1.00 0.00 N ATOM 257 CA VAL A 80 -4.366 26.367 -5.916 1.00 0.00 C ATOM 258 C VAL A 80 -5.516 25.710 -6.671 1.00 0.00 C ATOM 259 O VAL A 80 -5.572 24.487 -6.798 1.00 0.00 O ATOM 260 CB VAL A 80 -3.131 26.428 -6.835 1.00 0.00 C ATOM 261 CG1 VAL A 80 -2.752 25.035 -7.313 1.00 0.00 C ATOM 262 CG2 VAL A 80 -3.390 27.353 -8.014 1.00 0.00 C ATOM 0 H VAL A 80 -4.530 24.743 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.651 27.381 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.294 26.830 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.878 25.098 -7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.522 24.405 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.584 24.602 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.507 27.384 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.240 26.983 -8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.609 28.356 -7.648 1.00 0.00 H new ATOM 272 N HIS A 81 -6.432 26.532 -7.173 1.00 0.00 N ATOM 273 CA HIS A 81 -7.582 26.031 -7.918 1.00 0.00 C ATOM 274 C HIS A 81 -7.288 25.999 -9.415 1.00 0.00 C ATOM 275 O HIS A 81 -7.487 24.979 -10.074 1.00 0.00 O ATOM 276 CB HIS A 81 -8.810 26.901 -7.647 1.00 0.00 C ATOM 277 CG HIS A 81 -9.639 26.424 -6.494 1.00 0.00 C ATOM 278 ND1 HIS A 81 -10.009 25.106 -6.328 1.00 0.00 N ATOM 279 CD2 HIS A 81 -10.169 27.097 -5.446 1.00 0.00 C ATOM 280 CE1 HIS A 81 -10.732 24.989 -5.228 1.00 0.00 C ATOM 281 NE2 HIS A 81 -10.843 26.183 -4.674 1.00 0.00 N ATOM 0 H HIS A 81 -6.401 27.547 -7.078 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.785 25.014 -7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.485 27.923 -7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -9.430 26.929 -8.543 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.079 28.156 -5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.159 24.073 -4.847 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.348 26.392 -3.813 1.00 0.00 H new ATOM 289 N ALA A 82 -6.813 27.122 -9.944 1.00 0.00 N ATOM 290 CA ALA A 82 -6.491 27.222 -11.362 1.00 0.00 C ATOM 291 C ALA A 82 -5.257 26.393 -11.703 1.00 0.00 C ATOM 292 O ALA A 82 -4.571 26.708 -12.675 1.00 0.00 O ATOM 293 CB ALA A 82 -6.277 28.676 -11.753 1.00 0.00 C ATOM 0 H ALA A 82 -6.643 27.975 -9.412 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.332 26.825 -11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.037 28.736 -12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.186 29.244 -11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.454 29.092 -11.171 1.00 0.00 H new TER 299 ALA A 82 ATOM 300 N GLY B 541 8.118 22.459 5.099 1.00 0.00 N ATOM 301 CA GLY B 541 9.294 22.139 5.887 1.00 0.00 C ATOM 302 C GLY B 541 8.985 22.015 7.366 1.00 0.00 C ATOM 303 O GLY B 541 9.709 21.346 8.103 1.00 0.00 O ATOM 0 HA2 GLY B 541 9.724 21.203 5.529 1.00 0.00 H new ATOM 0 HA3 GLY B 541 10.048 22.913 5.740 1.00 0.00 H new ATOM 307 N GLN B 542 7.909 22.663 7.800 1.00 0.00 N ATOM 308 CA GLN B 542 7.508 22.624 9.202 1.00 0.00 C ATOM 309 C GLN B 542 6.001 22.429 9.332 1.00 0.00 C ATOM 310 O GLN B 542 5.317 22.144 8.350 1.00 0.00 O ATOM 311 CB GLN B 542 7.931 23.912 9.911 1.00 0.00 C ATOM 312 CG GLN B 542 7.075 25.115 9.549 1.00 0.00 C ATOM 313 CD GLN B 542 7.785 26.431 9.796 1.00 0.00 C ATOM 314 OE1 GLN B 542 9.011 26.480 9.895 1.00 0.00 O ATOM 315 NE2 GLN B 542 7.016 27.509 9.897 1.00 0.00 N ATOM 0 H GLN B 542 7.300 23.221 7.202 1.00 0.00 H new ATOM 0 HA GLN B 542 8.007 21.777 9.673 1.00 0.00 H new ATOM 0 HB2 GLN B 542 7.886 23.755 10.989 1.00 0.00 H new ATOM 0 HB3 GLN B 542 8.970 24.128 9.664 1.00 0.00 H new ATOM 0 HG2 GLN B 542 6.791 25.051 8.499 1.00 0.00 H new ATOM 0 HG3 GLN B 542 6.153 25.089 10.131 1.00 0.00 H new ATOM 0 HE21 GLN B 542 6.003 27.423 9.809 1.00 0.00 H new ATOM 0 HE22 GLN B 542 7.438 28.423 10.063 1.00 0.00 H new ATOM 324 N GLU B 543 5.492 22.585 10.550 1.00 0.00 N ATOM 325 CA GLU B 543 4.066 22.424 10.807 1.00 0.00 C ATOM 326 C GLU B 543 3.600 21.020 10.433 1.00 0.00 C ATOM 327 O GLU B 543 2.924 20.810 9.426 1.00 0.00 O ATOM 328 CB GLU B 543 3.263 23.465 10.023 1.00 0.00 C ATOM 329 CG GLU B 543 3.059 24.769 10.776 1.00 0.00 C ATOM 330 CD GLU B 543 2.475 25.862 9.902 1.00 0.00 C ATOM 331 OE1 GLU B 543 1.274 25.779 9.571 1.00 0.00 O ATOM 332 OE2 GLU B 543 3.220 26.800 9.549 1.00 0.00 O ATOM 0 H GLU B 543 6.045 22.822 11.373 1.00 0.00 H new ATOM 0 HA GLU B 543 3.897 22.572 11.874 1.00 0.00 H new ATOM 0 HB2 GLU B 543 3.774 23.674 9.083 1.00 0.00 H new ATOM 0 HB3 GLU B 543 2.289 23.045 9.770 1.00 0.00 H new ATOM 0 HG2 GLU B 543 2.397 24.595 11.624 1.00 0.00 H new ATOM 0 HG3 GLU B 543 4.014 25.104 11.181 1.00 0.00 H new ATOM 339 N PRO B 544 3.971 20.034 11.264 1.00 0.00 N ATOM 340 CA PRO B 544 3.602 18.632 11.042 1.00 0.00 C ATOM 341 C PRO B 544 2.113 18.384 11.253 1.00 0.00 C ATOM 342 O PRO B 544 1.399 19.239 11.778 1.00 0.00 O ATOM 343 CB PRO B 544 4.424 17.879 12.091 1.00 0.00 C ATOM 344 CG PRO B 544 4.667 18.878 13.170 1.00 0.00 C ATOM 345 CD PRO B 544 4.777 20.211 12.483 1.00 0.00 C ATOM 0 HA PRO B 544 3.800 18.316 10.018 1.00 0.00 H new ATOM 0 HB2 PRO B 544 3.884 17.011 12.469 1.00 0.00 H new ATOM 0 HB3 PRO B 544 5.361 17.513 11.672 1.00 0.00 H new ATOM 0 HG2 PRO B 544 3.851 18.878 13.893 1.00 0.00 H new ATOM 0 HG3 PRO B 544 5.580 18.645 13.719 1.00 0.00 H new ATOM 0 HD2 PRO B 544 4.391 21.017 13.106 1.00 0.00 H new ATOM 0 HD3 PRO B 544 5.812 20.458 12.248 1.00 0.00 H new ATOM 353 N LEU B 545 1.650 17.208 10.843 1.00 0.00 N ATOM 354 CA LEU B 545 0.244 16.847 10.988 1.00 0.00 C ATOM 355 C LEU B 545 0.012 16.074 12.282 1.00 0.00 C ATOM 356 O LEU B 545 0.928 15.895 13.085 1.00 0.00 O ATOM 357 CB LEU B 545 -0.214 16.010 9.792 1.00 0.00 C ATOM 358 CG LEU B 545 -1.294 16.637 8.909 1.00 0.00 C ATOM 359 CD1 LEU B 545 -0.725 17.800 8.113 1.00 0.00 C ATOM 360 CD2 LEU B 545 -1.893 15.593 7.978 1.00 0.00 C ATOM 0 H LEU B 545 2.227 16.489 10.408 1.00 0.00 H new ATOM 0 HA LEU B 545 -0.340 17.767 11.025 1.00 0.00 H new ATOM 0 HB2 LEU B 545 0.655 15.794 9.171 1.00 0.00 H new ATOM 0 HB3 LEU B 545 -0.585 15.055 10.163 1.00 0.00 H new ATOM 0 HG LEU B 545 -2.086 17.019 9.553 1.00 0.00 H new ATOM 0 HD11 LEU B 545 -1.508 18.233 7.491 1.00 0.00 H new ATOM 0 HD12 LEU B 545 -0.345 18.558 8.798 1.00 0.00 H new ATOM 0 HD13 LEU B 545 0.087 17.444 7.479 1.00 0.00 H new ATOM 0 HD21 LEU B 545 -2.660 16.056 7.357 1.00 0.00 H new ATOM 0 HD22 LEU B 545 -1.110 15.181 7.341 1.00 0.00 H new ATOM 0 HD23 LEU B 545 -2.339 14.792 8.568 1.00 0.00 H new ATOM 372 N THR B 546 -1.221 15.614 12.478 1.00 0.00 N ATOM 373 CA THR B 546 -1.574 14.859 13.673 1.00 0.00 C ATOM 374 C THR B 546 -2.281 13.558 13.313 1.00 0.00 C ATOM 375 O THR B 546 -2.697 12.803 14.191 1.00 0.00 O ATOM 376 CB THR B 546 -2.481 15.681 14.609 1.00 0.00 C ATOM 377 OG1 THR B 546 -1.987 17.021 14.718 1.00 0.00 O ATOM 378 CG2 THR B 546 -2.550 15.047 15.990 1.00 0.00 C ATOM 0 H THR B 546 -1.991 15.752 11.824 1.00 0.00 H new ATOM 0 HA THR B 546 -0.642 14.631 14.190 1.00 0.00 H new ATOM 0 HB THR B 546 -3.484 15.698 14.184 1.00 0.00 H new ATOM 0 HG1 THR B 546 -2.570 17.537 15.313 1.00 0.00 H new ATOM 0 HG21 THR B 546 -3.196 15.645 16.633 1.00 0.00 H new ATOM 0 HG22 THR B 546 -2.954 14.038 15.907 1.00 0.00 H new ATOM 0 HG23 THR B 546 -1.550 15.003 16.421 1.00 0.00 H new ATOM 386 N ALA B 547 -2.413 13.301 12.016 1.00 0.00 N ATOM 387 CA ALA B 547 -3.068 12.089 11.539 1.00 0.00 C ATOM 388 C ALA B 547 -4.548 12.084 11.908 1.00 0.00 C ATOM 389 O ALA B 547 -5.217 11.055 11.810 1.00 0.00 O ATOM 390 CB ALA B 547 -2.376 10.858 12.106 1.00 0.00 C ATOM 0 H ALA B 547 -2.075 13.916 11.276 1.00 0.00 H new ATOM 0 HA ALA B 547 -2.991 12.067 10.452 1.00 0.00 H new ATOM 0 HB1 ALA B 547 -2.875 9.960 11.742 1.00 0.00 H new ATOM 0 HB2 ALA B 547 -1.333 10.848 11.788 1.00 0.00 H new ATOM 0 HB3 ALA B 547 -2.423 10.883 13.195 1.00 0.00 H new ATOM 396 N SER B 548 -5.052 13.238 12.332 1.00 0.00 N ATOM 397 CA SER B 548 -6.452 13.365 12.719 1.00 0.00 C ATOM 398 C SER B 548 -7.170 14.380 11.836 1.00 0.00 C ATOM 399 O SER B 548 -8.356 14.236 11.543 1.00 0.00 O ATOM 400 CB SER B 548 -6.561 13.781 14.187 1.00 0.00 C ATOM 401 OG SER B 548 -7.836 13.458 14.715 1.00 0.00 O ATOM 0 H SER B 548 -4.512 14.099 12.416 1.00 0.00 H new ATOM 0 HA SER B 548 -6.929 12.394 12.587 1.00 0.00 H new ATOM 0 HB2 SER B 548 -5.786 13.282 14.768 1.00 0.00 H new ATOM 0 HB3 SER B 548 -6.387 14.853 14.278 1.00 0.00 H new ATOM 0 HG SER B 548 -7.880 13.732 15.655 1.00 0.00 H new ATOM 407 N MET B 549 -6.441 15.409 11.415 1.00 0.00 N ATOM 408 CA MET B 549 -7.008 16.449 10.564 1.00 0.00 C ATOM 409 C MET B 549 -7.696 15.840 9.347 1.00 0.00 C ATOM 410 O MET B 549 -8.779 16.275 8.951 1.00 0.00 O ATOM 411 CB MET B 549 -5.915 17.421 10.114 1.00 0.00 C ATOM 412 CG MET B 549 -5.592 18.492 11.143 1.00 0.00 C ATOM 413 SD MET B 549 -5.464 20.137 10.417 1.00 0.00 S ATOM 414 CE MET B 549 -4.156 19.878 9.221 1.00 0.00 C ATOM 0 H MET B 549 -5.458 15.545 11.649 1.00 0.00 H new ATOM 0 HA MET B 549 -7.752 16.994 11.145 1.00 0.00 H new ATOM 0 HB2 MET B 549 -5.009 16.858 9.891 1.00 0.00 H new ATOM 0 HB3 MET B 549 -6.227 17.902 9.187 1.00 0.00 H new ATOM 0 HG2 MET B 549 -6.365 18.497 11.911 1.00 0.00 H new ATOM 0 HG3 MET B 549 -4.653 18.243 11.638 1.00 0.00 H new ATOM 0 HE1 MET B 549 -4.092 20.741 8.559 1.00 0.00 H new ATOM 0 HE2 MET B 549 -3.207 19.749 9.742 1.00 0.00 H new ATOM 0 HE3 MET B 549 -4.372 18.985 8.634 1.00 0.00 H new ATOM 424 N LEU B 550 -7.063 14.833 8.756 1.00 0.00 N ATOM 425 CA LEU B 550 -7.614 14.165 7.583 1.00 0.00 C ATOM 426 C LEU B 550 -8.914 13.445 7.927 1.00 0.00 C ATOM 427 O LEU B 550 -9.801 13.308 7.085 1.00 0.00 O ATOM 428 CB LEU B 550 -6.602 13.169 7.015 1.00 0.00 C ATOM 429 CG LEU B 550 -5.677 13.702 5.920 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.520 14.478 6.529 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.160 12.560 5.057 1.00 0.00 C ATOM 0 H LEU B 550 -6.167 14.461 9.070 1.00 0.00 H new ATOM 0 HA LEU B 550 -7.828 14.924 6.831 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.986 12.800 7.835 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.148 12.314 6.617 1.00 0.00 H new ATOM 0 HG LEU B 550 -6.249 14.380 5.287 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.873 14.849 5.734 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.908 15.319 7.104 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.948 13.823 7.186 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.503 12.957 4.283 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.605 11.857 5.678 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -6.001 12.047 4.591 1.00 0.00 H new ATOM 443 N ALA B 551 -9.021 12.990 9.171 1.00 0.00 N ATOM 444 CA ALA B 551 -10.214 12.288 9.628 1.00 0.00 C ATOM 445 C ALA B 551 -11.447 13.180 9.529 1.00 0.00 C ATOM 446 O ALA B 551 -12.471 12.780 8.974 1.00 0.00 O ATOM 447 CB ALA B 551 -10.026 11.803 11.058 1.00 0.00 C ATOM 0 H ALA B 551 -8.296 13.095 9.880 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.368 11.425 8.980 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.925 11.281 11.386 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -9.175 11.124 11.103 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.844 12.657 11.711 1.00 0.00 H new ATOM 453 N SER B 552 -11.342 14.389 10.070 1.00 0.00 N ATOM 454 CA SER B 552 -12.451 15.336 10.046 1.00 0.00 C ATOM 455 C SER B 552 -12.312 16.306 8.876 1.00 0.00 C ATOM 456 O SER B 552 -12.694 17.472 8.974 1.00 0.00 O ATOM 457 CB SER B 552 -12.516 16.112 11.362 1.00 0.00 C ATOM 458 OG SER B 552 -13.117 15.335 12.384 1.00 0.00 O ATOM 0 H SER B 552 -10.501 14.736 10.530 1.00 0.00 H new ATOM 0 HA SER B 552 -13.375 14.772 9.920 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.511 16.403 11.666 1.00 0.00 H new ATOM 0 HB3 SER B 552 -13.084 17.031 11.218 1.00 0.00 H new ATOM 0 HG SER B 552 -13.145 15.853 13.215 1.00 0.00 H new ATOM 464 N ALA B 553 -11.761 15.815 7.771 1.00 0.00 N ATOM 465 CA ALA B 553 -11.572 16.637 6.582 1.00 0.00 C ATOM 466 C ALA B 553 -12.110 15.935 5.339 1.00 0.00 C ATOM 467 O ALA B 553 -12.292 14.718 5.313 1.00 0.00 O ATOM 468 CB ALA B 553 -10.100 16.976 6.403 1.00 0.00 C ATOM 0 H ALA B 553 -11.438 14.852 7.674 1.00 0.00 H new ATOM 0 HA ALA B 553 -12.132 17.562 6.717 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.974 17.590 5.511 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.744 17.525 7.275 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.525 16.056 6.294 1.00 0.00 H new ATOM 474 N PRO B 554 -12.372 16.719 4.283 1.00 0.00 N ATOM 475 CA PRO B 554 -12.893 16.195 3.017 1.00 0.00 C ATOM 476 C PRO B 554 -11.860 15.361 2.266 1.00 0.00 C ATOM 477 O PRO B 554 -10.673 15.358 2.593 1.00 0.00 O ATOM 478 CB PRO B 554 -13.238 17.458 2.225 1.00 0.00 C ATOM 479 CG PRO B 554 -12.348 18.513 2.786 1.00 0.00 C ATOM 480 CD PRO B 554 -12.178 18.179 4.242 1.00 0.00 C ATOM 0 HA PRO B 554 -13.741 15.527 3.171 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.061 17.317 1.159 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.289 17.724 2.342 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.386 18.525 2.273 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.788 19.502 2.661 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.191 18.463 4.607 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.909 18.699 4.861 1.00 0.00 H new ATOM 488 N PRO B 555 -12.320 14.636 1.235 1.00 0.00 N ATOM 489 CA PRO B 555 -11.451 13.785 0.416 1.00 0.00 C ATOM 490 C PRO B 555 -10.497 14.598 -0.453 1.00 0.00 C ATOM 491 O PRO B 555 -9.583 14.048 -1.066 1.00 0.00 O ATOM 492 CB PRO B 555 -12.438 13.007 -0.457 1.00 0.00 C ATOM 493 CG PRO B 555 -13.646 13.876 -0.530 1.00 0.00 C ATOM 494 CD PRO B 555 -13.722 14.592 0.790 1.00 0.00 C ATOM 0 HA PRO B 555 -10.809 13.150 1.026 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.026 12.818 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.674 12.037 -0.020 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.567 14.585 -1.354 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.544 13.283 -0.704 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.141 15.592 0.681 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.353 14.058 1.501 1.00 0.00 H new ATOM 502 N GLN B 556 -10.717 15.908 -0.501 1.00 0.00 N ATOM 503 CA GLN B 556 -9.876 16.794 -1.296 1.00 0.00 C ATOM 504 C GLN B 556 -8.775 17.412 -0.440 1.00 0.00 C ATOM 505 O GLN B 556 -7.622 17.493 -0.861 1.00 0.00 O ATOM 506 CB GLN B 556 -10.722 17.897 -1.934 1.00 0.00 C ATOM 507 CG GLN B 556 -11.970 17.380 -2.631 1.00 0.00 C ATOM 508 CD GLN B 556 -12.662 18.447 -3.457 1.00 0.00 C ATOM 509 OE1 GLN B 556 -12.188 18.824 -4.529 1.00 0.00 O ATOM 510 NE2 GLN B 556 -13.790 18.942 -2.960 1.00 0.00 N ATOM 0 H GLN B 556 -11.470 16.379 0.001 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.410 16.202 -2.083 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.015 18.610 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.112 18.440 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.701 16.544 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.665 16.996 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -14.147 18.601 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -14.299 19.663 -3.471 1.00 0.00 H new ATOM 519 N GLU B 557 -9.141 17.848 0.762 1.00 0.00 N ATOM 520 CA GLU B 557 -8.183 18.460 1.675 1.00 0.00 C ATOM 521 C GLU B 557 -7.115 17.455 2.098 1.00 0.00 C ATOM 522 O GLU B 557 -6.003 17.833 2.464 1.00 0.00 O ATOM 523 CB GLU B 557 -8.901 19.008 2.910 1.00 0.00 C ATOM 524 CG GLU B 557 -9.591 20.340 2.672 1.00 0.00 C ATOM 525 CD GLU B 557 -10.297 20.861 3.909 1.00 0.00 C ATOM 526 OE1 GLU B 557 -9.914 20.456 5.026 1.00 0.00 O ATOM 527 OE2 GLU B 557 -11.232 21.675 3.759 1.00 0.00 O ATOM 0 H GLU B 557 -10.092 17.789 1.125 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.696 19.283 1.152 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.641 18.280 3.243 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.179 19.122 3.719 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -8.854 21.073 2.343 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.315 20.231 1.864 1.00 0.00 H new ATOM 534 N GLN B 558 -7.463 16.173 2.044 1.00 0.00 N ATOM 535 CA GLN B 558 -6.536 15.114 2.423 1.00 0.00 C ATOM 536 C GLN B 558 -5.227 15.234 1.649 1.00 0.00 C ATOM 537 O GLN B 558 -4.203 15.639 2.200 1.00 0.00 O ATOM 538 CB GLN B 558 -7.166 13.742 2.173 1.00 0.00 C ATOM 539 CG GLN B 558 -8.380 13.463 3.043 1.00 0.00 C ATOM 540 CD GLN B 558 -8.343 12.085 3.673 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.728 11.162 3.138 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.002 11.938 4.816 1.00 0.00 N ATOM 0 H GLN B 558 -8.380 15.843 1.742 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.319 15.218 3.486 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.456 13.670 1.125 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.417 12.970 2.350 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.440 14.216 3.829 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.283 13.559 2.441 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.498 12.730 5.224 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.012 11.033 5.286 1.00 0.00 H new ATOM 551 N LYS B 559 -5.268 14.880 0.369 1.00 0.00 N ATOM 552 CA LYS B 559 -4.086 14.949 -0.482 1.00 0.00 C ATOM 553 C LYS B 559 -3.438 16.328 -0.403 1.00 0.00 C ATOM 554 O LYS B 559 -2.222 16.460 -0.542 1.00 0.00 O ATOM 555 CB LYS B 559 -4.457 14.630 -1.932 1.00 0.00 C ATOM 556 CG LYS B 559 -5.666 15.400 -2.434 1.00 0.00 C ATOM 557 CD LYS B 559 -5.979 15.065 -3.882 1.00 0.00 C ATOM 558 CE LYS B 559 -7.471 15.149 -4.165 1.00 0.00 C ATOM 559 NZ LYS B 559 -7.777 14.918 -5.604 1.00 0.00 N ATOM 0 H LYS B 559 -6.107 14.542 -0.102 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.369 14.209 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.604 14.851 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -4.654 13.562 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.530 15.169 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.482 16.470 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -5.444 15.751 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -5.621 14.061 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -7.998 14.412 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -7.842 16.130 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -8.602 15.488 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -6.957 15.194 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -7.985 13.911 -5.757 1.00 0.00 H new ATOM 573 N GLN B 560 -4.258 17.350 -0.179 1.00 0.00 N ATOM 574 CA GLN B 560 -3.763 18.718 -0.081 1.00 0.00 C ATOM 575 C GLN B 560 -2.809 18.869 1.099 1.00 0.00 C ATOM 576 O GLN B 560 -1.619 19.123 0.919 1.00 0.00 O ATOM 577 CB GLN B 560 -4.930 19.695 0.063 1.00 0.00 C ATOM 578 CG GLN B 560 -4.512 21.156 0.006 1.00 0.00 C ATOM 579 CD GLN B 560 -5.609 22.096 0.466 1.00 0.00 C ATOM 580 OE1 GLN B 560 -5.404 22.915 1.362 1.00 0.00 O ATOM 581 NE2 GLN B 560 -6.781 21.982 -0.147 1.00 0.00 N ATOM 0 H GLN B 560 -5.267 17.257 -0.062 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.217 18.947 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.654 19.502 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -5.435 19.507 1.010 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -3.629 21.302 0.629 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -4.227 21.409 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -6.905 21.289 -0.885 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -7.557 22.588 0.120 1.00 0.00 H new ATOM 590 N MET B 561 -3.341 18.711 2.307 1.00 0.00 N ATOM 591 CA MET B 561 -2.535 18.829 3.517 1.00 0.00 C ATOM 592 C MET B 561 -1.431 17.778 3.540 1.00 0.00 C ATOM 593 O MET B 561 -0.247 18.107 3.631 1.00 0.00 O ATOM 594 CB MET B 561 -3.418 18.686 4.758 1.00 0.00 C ATOM 595 CG MET B 561 -4.618 19.619 4.762 1.00 0.00 C ATOM 596 SD MET B 561 -5.757 19.280 6.118 1.00 0.00 S ATOM 597 CE MET B 561 -6.477 17.732 5.577 1.00 0.00 C ATOM 0 H MET B 561 -4.325 18.501 2.474 1.00 0.00 H new ATOM 0 HA MET B 561 -2.072 19.816 3.521 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.769 17.656 4.827 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.816 18.878 5.646 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.271 20.650 4.833 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.149 19.526 3.815 1.00 0.00 H new ATOM 0 HE1 MET B 561 -7.535 17.879 5.362 1.00 0.00 H new ATOM 0 HE2 MET B 561 -5.968 17.389 4.676 1.00 0.00 H new ATOM 0 HE3 MET B 561 -6.367 16.985 6.363 1.00 0.00 H new ATOM 607 N LEU B 562 -1.824 16.511 3.456 1.00 0.00 N ATOM 608 CA LEU B 562 -0.866 15.411 3.468 1.00 0.00 C ATOM 609 C LEU B 562 0.230 15.632 2.431 1.00 0.00 C ATOM 610 O LEU B 562 1.413 15.684 2.764 1.00 0.00 O ATOM 611 CB LEU B 562 -1.580 14.085 3.197 1.00 0.00 C ATOM 612 CG LEU B 562 -0.699 12.835 3.201 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.481 11.632 3.705 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.145 12.569 1.809 1.00 0.00 C ATOM 0 H LEU B 562 -2.799 16.221 3.379 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.405 15.374 4.455 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.362 13.957 3.946 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.075 14.153 2.228 1.00 0.00 H new ATOM 0 HG LEU B 562 0.139 13.006 3.877 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.838 10.752 3.701 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.828 11.823 4.721 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.339 11.458 3.055 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.480 11.676 1.831 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.969 12.419 1.112 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.452 13.422 1.486 1.00 0.00 H new ATOM 626 N GLY B 563 -0.173 15.764 1.170 1.00 0.00 N ATOM 627 CA GLY B 563 0.787 15.980 0.103 1.00 0.00 C ATOM 628 C GLY B 563 1.646 17.207 0.336 1.00 0.00 C ATOM 629 O GLY B 563 2.834 17.210 0.018 1.00 0.00 O ATOM 0 H GLY B 563 -1.147 15.725 0.869 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.428 15.103 0.012 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.256 16.086 -0.843 1.00 0.00 H new ATOM 633 N GLU B 564 1.042 18.253 0.892 1.00 0.00 N ATOM 634 CA GLU B 564 1.760 19.493 1.164 1.00 0.00 C ATOM 635 C GLU B 564 2.849 19.273 2.211 1.00 0.00 C ATOM 636 O GLU B 564 3.955 19.799 2.092 1.00 0.00 O ATOM 637 CB GLU B 564 0.790 20.576 1.641 1.00 0.00 C ATOM 638 CG GLU B 564 0.158 21.369 0.509 1.00 0.00 C ATOM 639 CD GLU B 564 0.997 22.562 0.094 1.00 0.00 C ATOM 640 OE1 GLU B 564 2.204 22.579 0.412 1.00 0.00 O ATOM 641 OE2 GLU B 564 0.445 23.478 -0.551 1.00 0.00 O ATOM 0 H GLU B 564 0.059 18.266 1.163 1.00 0.00 H new ATOM 0 HA GLU B 564 2.232 19.820 0.237 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.001 20.111 2.232 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.321 21.262 2.302 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.012 20.715 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.829 21.713 0.818 1.00 0.00 H new ATOM 648 N ARG B 565 2.526 18.491 3.237 1.00 0.00 N ATOM 649 CA ARG B 565 3.474 18.203 4.305 1.00 0.00 C ATOM 650 C ARG B 565 4.509 17.177 3.851 1.00 0.00 C ATOM 651 O ARG B 565 5.668 17.224 4.265 1.00 0.00 O ATOM 652 CB ARG B 565 2.738 17.687 5.543 1.00 0.00 C ATOM 653 CG ARG B 565 3.618 17.590 6.779 1.00 0.00 C ATOM 654 CD ARG B 565 2.873 16.962 7.946 1.00 0.00 C ATOM 655 NE ARG B 565 3.731 16.081 8.733 1.00 0.00 N ATOM 656 CZ ARG B 565 4.188 14.914 8.292 1.00 0.00 C ATOM 657 NH1 ARG B 565 3.871 14.491 7.076 1.00 0.00 N ATOM 658 NH2 ARG B 565 4.965 14.168 9.067 1.00 0.00 N ATOM 0 H ARG B 565 1.615 18.046 3.350 1.00 0.00 H new ATOM 0 HA ARG B 565 3.991 19.129 4.557 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.897 18.347 5.757 1.00 0.00 H new ATOM 0 HB3 ARG B 565 2.323 16.703 5.325 1.00 0.00 H new ATOM 0 HG2 ARG B 565 4.504 16.998 6.550 1.00 0.00 H new ATOM 0 HG3 ARG B 565 3.964 18.585 7.060 1.00 0.00 H new ATOM 0 HD2 ARG B 565 2.475 17.748 8.588 1.00 0.00 H new ATOM 0 HD3 ARG B 565 2.021 16.396 7.570 1.00 0.00 H new ATOM 0 HE ARG B 565 3.994 16.378 9.673 1.00 0.00 H new ATOM 0 HH11 ARG B 565 3.275 15.062 6.477 1.00 0.00 H new ATOM 0 HH12 ARG B 565 4.223 13.595 6.740 1.00 0.00 H new ATOM 0 HH21 ARG B 565 5.212 14.490 10.003 1.00 0.00 H new ATOM 0 HH22 ARG B 565 5.315 13.272 8.727 1.00 0.00 H new ATOM 672 N LEU B 566 4.083 16.252 2.999 1.00 0.00 N ATOM 673 CA LEU B 566 4.972 15.214 2.489 1.00 0.00 C ATOM 674 C LEU B 566 5.909 15.775 1.425 1.00 0.00 C ATOM 675 O LEU B 566 7.006 15.258 1.213 1.00 0.00 O ATOM 676 CB LEU B 566 4.157 14.057 1.908 1.00 0.00 C ATOM 677 CG LEU B 566 4.054 12.805 2.780 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.945 12.960 3.808 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.816 11.573 1.918 1.00 0.00 C ATOM 0 H LEU B 566 3.127 16.199 2.646 1.00 0.00 H new ATOM 0 HA LEU B 566 5.574 14.845 3.320 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.149 14.416 1.702 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.596 13.774 0.951 1.00 0.00 H new ATOM 0 HG LEU B 566 4.998 12.677 3.310 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.887 12.059 4.419 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.157 13.818 4.446 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.994 13.114 3.297 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.745 10.691 2.555 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.887 11.693 1.360 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.645 11.451 1.221 1.00 0.00 H new ATOM 691 N PHE B 567 5.471 16.838 0.758 1.00 0.00 N ATOM 692 CA PHE B 567 6.271 17.471 -0.284 1.00 0.00 C ATOM 693 C PHE B 567 7.696 17.721 0.202 1.00 0.00 C ATOM 694 O PHE B 567 8.671 17.250 -0.385 1.00 0.00 O ATOM 695 CB PHE B 567 5.630 18.790 -0.718 1.00 0.00 C ATOM 696 CG PHE B 567 6.615 19.785 -1.262 1.00 0.00 C ATOM 697 CD1 PHE B 567 7.451 19.448 -2.314 1.00 0.00 C ATOM 698 CD2 PHE B 567 6.705 21.057 -0.721 1.00 0.00 C ATOM 699 CE1 PHE B 567 8.359 20.361 -2.817 1.00 0.00 C ATOM 700 CE2 PHE B 567 7.610 21.975 -1.220 1.00 0.00 C ATOM 701 CZ PHE B 567 8.439 21.626 -2.268 1.00 0.00 C ATOM 0 H PHE B 567 4.566 17.279 0.921 1.00 0.00 H new ATOM 0 HA PHE B 567 6.310 16.796 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.875 18.585 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE B 567 5.113 19.231 0.134 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.393 18.460 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE B 567 6.061 21.335 0.100 1.00 0.00 H new ATOM 0 HE1 PHE B 567 9.005 20.086 -3.638 1.00 0.00 H new ATOM 0 HE2 PHE B 567 7.669 22.964 -0.791 1.00 0.00 H new ATOM 0 HZ PHE B 567 9.149 22.341 -2.658 1.00 0.00 H new ATOM 711 N PRO B 568 7.822 18.480 1.300 1.00 0.00 N ATOM 712 CA PRO B 568 9.123 18.811 1.890 1.00 0.00 C ATOM 713 C PRO B 568 9.793 17.601 2.531 1.00 0.00 C ATOM 714 O PRO B 568 10.998 17.393 2.380 1.00 0.00 O ATOM 715 CB PRO B 568 8.775 19.856 2.953 1.00 0.00 C ATOM 716 CG PRO B 568 7.357 19.575 3.311 1.00 0.00 C ATOM 717 CD PRO B 568 6.704 19.075 2.052 1.00 0.00 C ATOM 0 HA PRO B 568 9.832 19.165 1.142 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.427 19.769 3.822 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.892 20.868 2.566 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.295 18.831 4.105 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.861 20.474 3.677 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.928 18.340 2.266 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.231 19.885 1.496 1.00 0.00 H new ATOM 725 N LEU B 569 9.006 16.804 3.246 1.00 0.00 N ATOM 726 CA LEU B 569 9.524 15.613 3.910 1.00 0.00 C ATOM 727 C LEU B 569 10.303 14.739 2.932 1.00 0.00 C ATOM 728 O LEU B 569 11.299 14.117 3.300 1.00 0.00 O ATOM 729 CB LEU B 569 8.377 14.811 4.528 1.00 0.00 C ATOM 730 CG LEU B 569 8.732 13.966 5.752 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.722 12.873 5.378 1.00 0.00 C ATOM 732 CD2 LEU B 569 9.296 14.843 6.860 1.00 0.00 C ATOM 0 H LEU B 569 8.007 16.961 3.381 1.00 0.00 H new ATOM 0 HA LEU B 569 10.202 15.933 4.701 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.585 15.505 4.808 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.968 14.152 3.763 1.00 0.00 H new ATOM 0 HG LEU B 569 7.821 13.492 6.119 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.963 12.282 6.262 1.00 0.00 H new ATOM 0 HD12 LEU B 569 9.281 12.227 4.619 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.632 13.326 4.985 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.543 14.225 7.723 1.00 0.00 H new ATOM 0 HD22 LEU B 569 10.195 15.345 6.504 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.554 15.588 7.148 1.00 0.00 H new ATOM 744 N ILE B 570 9.843 14.700 1.687 1.00 0.00 N ATOM 745 CA ILE B 570 10.498 13.905 0.655 1.00 0.00 C ATOM 746 C ILE B 570 11.778 14.579 0.173 1.00 0.00 C ATOM 747 O ILE B 570 12.748 13.909 -0.180 1.00 0.00 O ATOM 748 CB ILE B 570 9.569 13.671 -0.551 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.388 12.786 -0.148 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.342 13.041 -1.700 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.324 12.674 -1.217 1.00 0.00 C ATOM 0 H ILE B 570 9.019 15.209 1.368 1.00 0.00 H new ATOM 0 HA ILE B 570 10.743 12.943 1.106 1.00 0.00 H new ATOM 0 HB ILE B 570 9.181 14.633 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.757 11.789 0.092 1.00 0.00 H new ATOM 0 HG13 ILE B 570 7.938 13.186 0.761 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.672 12.882 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.153 13.705 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.755 12.085 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.518 12.032 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.927 13.664 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.759 12.245 -2.120 1.00 0.00 H new ATOM 763 N GLN B 571 11.774 15.908 0.163 1.00 0.00 N ATOM 764 CA GLN B 571 12.936 16.672 -0.275 1.00 0.00 C ATOM 765 C GLN B 571 14.163 16.324 0.561 1.00 0.00 C ATOM 766 O GLN B 571 15.297 16.558 0.144 1.00 0.00 O ATOM 767 CB GLN B 571 12.650 18.172 -0.182 1.00 0.00 C ATOM 768 CG GLN B 571 11.573 18.647 -1.144 1.00 0.00 C ATOM 769 CD GLN B 571 11.399 20.153 -1.129 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.282 20.787 -2.178 1.00 0.00 O ATOM 771 NE2 GLN B 571 11.382 20.735 0.065 1.00 0.00 N ATOM 0 H GLN B 571 10.979 16.478 0.453 1.00 0.00 H new ATOM 0 HA GLN B 571 13.141 16.411 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.347 18.413 0.837 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.570 18.722 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN B 571 11.826 18.324 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.626 18.173 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN B 571 11.482 20.171 0.909 1.00 0.00 H new ATOM 0 HE22 GLN B 571 11.269 21.746 0.138 1.00 0.00 H new ATOM 780 N ALA B 572 13.928 15.764 1.743 1.00 0.00 N ATOM 781 CA ALA B 572 15.014 15.382 2.637 1.00 0.00 C ATOM 782 C ALA B 572 16.013 14.473 1.929 1.00 0.00 C ATOM 783 O ALA B 572 17.208 14.502 2.222 1.00 0.00 O ATOM 784 CB ALA B 572 14.461 14.696 3.877 1.00 0.00 C ATOM 0 H ALA B 572 12.995 15.565 2.104 1.00 0.00 H new ATOM 0 HA ALA B 572 15.538 16.289 2.940 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.283 14.416 4.535 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.792 15.378 4.402 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.911 13.802 3.583 1.00 0.00 H new ATOM 790 N MET B 573 15.515 13.666 0.998 1.00 0.00 N ATOM 791 CA MET B 573 16.366 12.749 0.248 1.00 0.00 C ATOM 792 C MET B 573 16.320 13.062 -1.244 1.00 0.00 C ATOM 793 O MET B 573 17.297 12.849 -1.963 1.00 0.00 O ATOM 794 CB MET B 573 15.930 11.302 0.491 1.00 0.00 C ATOM 795 CG MET B 573 14.465 11.048 0.176 1.00 0.00 C ATOM 796 SD MET B 573 13.630 10.111 1.471 1.00 0.00 S ATOM 797 CE MET B 573 12.543 11.365 2.147 1.00 0.00 C ATOM 0 H MET B 573 14.528 13.628 0.745 1.00 0.00 H new ATOM 0 HA MET B 573 17.391 12.876 0.596 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.544 10.639 -0.118 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.119 11.044 1.533 1.00 0.00 H new ATOM 0 HG2 MET B 573 13.956 12.002 0.037 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.388 10.506 -0.767 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.621 11.367 3.234 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.831 12.343 1.761 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.514 11.149 1.858 1.00 0.00 H new ATOM 807 N HIS B 574 15.181 13.568 -1.704 1.00 0.00 N ATOM 808 CA HIS B 574 15.009 13.911 -3.111 1.00 0.00 C ATOM 809 C HIS B 574 14.338 15.273 -3.261 1.00 0.00 C ATOM 810 O HIS B 574 13.154 15.378 -3.583 1.00 0.00 O ATOM 811 CB HIS B 574 14.179 12.841 -3.821 1.00 0.00 C ATOM 812 CG HIS B 574 15.001 11.726 -4.392 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.642 11.811 -5.610 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.287 10.497 -3.903 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.285 10.681 -5.846 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.086 9.867 -4.825 1.00 0.00 N ATOM 0 H HIS B 574 14.363 13.750 -1.123 1.00 0.00 H new ATOM 0 HA HIS B 574 15.996 13.959 -3.570 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.458 12.426 -3.117 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.608 13.309 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS B 574 14.949 10.088 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.873 10.460 -6.724 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.464 8.924 -4.736 1.00 0.00 H new ATOM 824 N PRO B 575 15.110 16.343 -3.021 1.00 0.00 N ATOM 825 CA PRO B 575 14.612 17.718 -3.122 1.00 0.00 C ATOM 826 C PRO B 575 14.325 18.126 -4.563 1.00 0.00 C ATOM 827 O PRO B 575 13.767 19.193 -4.819 1.00 0.00 O ATOM 828 CB PRO B 575 15.759 18.554 -2.548 1.00 0.00 C ATOM 829 CG PRO B 575 16.977 17.724 -2.761 1.00 0.00 C ATOM 830 CD PRO B 575 16.530 16.293 -2.633 1.00 0.00 C ATOM 0 HA PRO B 575 13.666 17.849 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.841 19.515 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.604 18.765 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.410 17.911 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.744 17.961 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.102 15.633 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.656 15.922 -1.616 1.00 0.00 H new ATOM 838 N THR B 576 14.711 17.269 -5.504 1.00 0.00 N ATOM 839 CA THR B 576 14.495 17.540 -6.920 1.00 0.00 C ATOM 840 C THR B 576 13.273 16.796 -7.443 1.00 0.00 C ATOM 841 O THR B 576 12.400 17.385 -8.081 1.00 0.00 O ATOM 842 CB THR B 576 15.723 17.143 -7.761 1.00 0.00 C ATOM 843 OG1 THR B 576 16.335 15.971 -7.211 1.00 0.00 O ATOM 844 CG2 THR B 576 16.737 18.276 -7.808 1.00 0.00 C ATOM 0 H THR B 576 15.175 16.381 -5.311 1.00 0.00 H new ATOM 0 HA THR B 576 14.330 18.613 -7.014 1.00 0.00 H new ATOM 0 HB THR B 576 15.388 16.935 -8.777 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.114 15.724 -7.752 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.595 17.972 -8.407 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.277 19.158 -8.254 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.067 18.511 -6.796 1.00 0.00 H new ATOM 852 N LEU B 577 13.214 15.497 -7.168 1.00 0.00 N ATOM 853 CA LEU B 577 12.096 14.671 -7.610 1.00 0.00 C ATOM 854 C LEU B 577 11.006 14.614 -6.545 1.00 0.00 C ATOM 855 O LEU B 577 10.116 13.766 -6.599 1.00 0.00 O ATOM 856 CB LEU B 577 12.580 13.257 -7.937 1.00 0.00 C ATOM 857 CG LEU B 577 13.541 13.133 -9.120 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.027 13.927 -10.311 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.934 13.601 -8.726 1.00 0.00 C ATOM 0 H LEU B 577 13.928 14.993 -6.641 1.00 0.00 H new ATOM 0 HA LEU B 577 11.676 15.122 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.069 12.849 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.709 12.633 -8.136 1.00 0.00 H new ATOM 0 HG LEU B 577 13.600 12.083 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.724 13.827 -11.143 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.050 13.546 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU B 577 12.938 14.978 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.605 13.506 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.892 14.644 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.304 12.989 -7.904 1.00 0.00 H new ATOM 871 N ALA B 578 11.081 15.524 -5.580 1.00 0.00 N ATOM 872 CA ALA B 578 10.099 15.581 -4.505 1.00 0.00 C ATOM 873 C ALA B 578 8.681 15.670 -5.060 1.00 0.00 C ATOM 874 O ALA B 578 7.823 14.851 -4.732 1.00 0.00 O ATOM 875 CB ALA B 578 10.384 16.763 -3.590 1.00 0.00 C ATOM 0 H ALA B 578 11.812 16.232 -5.521 1.00 0.00 H new ATOM 0 HA ALA B 578 10.178 14.661 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.642 16.792 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.379 16.656 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.336 17.688 -4.165 1.00 0.00 H new ATOM 881 N GLY B 579 8.443 16.669 -5.904 1.00 0.00 N ATOM 882 CA GLY B 579 7.127 16.847 -6.491 1.00 0.00 C ATOM 883 C GLY B 579 6.593 15.572 -7.113 1.00 0.00 C ATOM 884 O GLY B 579 5.461 15.168 -6.846 1.00 0.00 O ATOM 0 H GLY B 579 9.137 17.358 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.434 17.191 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.174 17.627 -7.251 1.00 0.00 H new ATOM 888 N LYS B 580 7.409 14.935 -7.947 1.00 0.00 N ATOM 889 CA LYS B 580 7.014 13.699 -8.610 1.00 0.00 C ATOM 890 C LYS B 580 6.768 12.590 -7.592 1.00 0.00 C ATOM 891 O LYS B 580 5.752 11.897 -7.648 1.00 0.00 O ATOM 892 CB LYS B 580 8.091 13.262 -9.605 1.00 0.00 C ATOM 893 CG LYS B 580 8.378 14.295 -10.682 1.00 0.00 C ATOM 894 CD LYS B 580 7.126 14.639 -11.472 1.00 0.00 C ATOM 895 CE LYS B 580 6.560 13.418 -12.180 1.00 0.00 C ATOM 896 NZ LYS B 580 5.397 13.767 -13.042 1.00 0.00 N ATOM 0 H LYS B 580 8.349 15.256 -8.179 1.00 0.00 H new ATOM 0 HA LYS B 580 6.085 13.887 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.012 13.050 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.780 12.331 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS B 580 8.780 15.198 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS B 580 9.143 13.914 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS B 580 6.373 15.053 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS B 580 7.358 15.411 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS B 580 7.338 12.958 -12.789 1.00 0.00 H new ATOM 0 HE3 LYS B 580 6.255 12.678 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 5.040 12.908 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 4.644 14.183 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 5.694 14.454 -13.764 1.00 0.00 H new ATOM 910 N ILE B 581 7.704 12.429 -6.662 1.00 0.00 N ATOM 911 CA ILE B 581 7.587 11.405 -5.631 1.00 0.00 C ATOM 912 C ILE B 581 6.303 11.579 -4.827 1.00 0.00 C ATOM 913 O ILE B 581 5.445 10.696 -4.807 1.00 0.00 O ATOM 914 CB ILE B 581 8.789 11.436 -4.668 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.083 11.125 -5.424 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.583 10.448 -3.531 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.310 11.762 -4.810 1.00 0.00 C ATOM 0 H ILE B 581 8.551 12.994 -6.602 1.00 0.00 H new ATOM 0 HA ILE B 581 7.566 10.443 -6.143 1.00 0.00 H new ATOM 0 HB ILE B 581 8.870 12.436 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.223 10.045 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE B 581 9.983 11.467 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.441 10.482 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.680 10.711 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.480 9.442 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.189 11.499 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.191 12.845 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.435 11.401 -3.789 1.00 0.00 H new ATOM 929 N THR B 582 6.176 12.725 -4.165 1.00 0.00 N ATOM 930 CA THR B 582 4.996 13.016 -3.360 1.00 0.00 C ATOM 931 C THR B 582 3.720 12.858 -4.178 1.00 0.00 C ATOM 932 O THR B 582 2.688 12.434 -3.660 1.00 0.00 O ATOM 933 CB THR B 582 5.049 14.443 -2.782 1.00 0.00 C ATOM 934 OG1 THR B 582 4.040 14.602 -1.778 1.00 0.00 O ATOM 935 CG2 THR B 582 4.847 15.479 -3.878 1.00 0.00 C ATOM 0 H THR B 582 6.876 13.467 -4.171 1.00 0.00 H new ATOM 0 HA THR B 582 4.988 12.299 -2.539 1.00 0.00 H new ATOM 0 HB THR B 582 6.032 14.595 -2.337 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.180 15.448 -1.304 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.888 16.479 -3.446 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.632 15.375 -4.627 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.875 15.327 -4.348 1.00 0.00 H new ATOM 943 N GLY B 583 3.798 13.201 -5.460 1.00 0.00 N ATOM 944 CA GLY B 583 2.641 13.090 -6.330 1.00 0.00 C ATOM 945 C GLY B 583 2.139 11.664 -6.446 1.00 0.00 C ATOM 946 O GLY B 583 0.992 11.374 -6.106 1.00 0.00 O ATOM 0 H GLY B 583 4.642 13.554 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.841 13.724 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.898 13.463 -7.321 1.00 0.00 H new ATOM 950 N MET B 584 2.998 10.773 -6.929 1.00 0.00 N ATOM 951 CA MET B 584 2.634 9.370 -7.089 1.00 0.00 C ATOM 952 C MET B 584 2.370 8.719 -5.735 1.00 0.00 C ATOM 953 O MET B 584 1.409 7.964 -5.575 1.00 0.00 O ATOM 954 CB MET B 584 3.743 8.614 -7.824 1.00 0.00 C ATOM 955 CG MET B 584 4.182 9.284 -9.116 1.00 0.00 C ATOM 956 SD MET B 584 5.694 8.569 -9.790 1.00 0.00 S ATOM 957 CE MET B 584 6.907 9.184 -8.625 1.00 0.00 C ATOM 0 H MET B 584 3.951 10.997 -7.216 1.00 0.00 H new ATOM 0 HA MET B 584 1.719 9.323 -7.679 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.605 8.517 -7.164 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.397 7.605 -8.047 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.384 9.199 -9.854 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.337 10.348 -8.935 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.858 8.676 -8.787 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.040 10.256 -8.770 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.563 8.995 -7.608 1.00 0.00 H new ATOM 967 N LEU B 585 3.226 9.014 -4.764 1.00 0.00 N ATOM 968 CA LEU B 585 3.085 8.457 -3.423 1.00 0.00 C ATOM 969 C LEU B 585 1.769 8.895 -2.788 1.00 0.00 C ATOM 970 O LEU B 585 1.216 8.196 -1.937 1.00 0.00 O ATOM 971 CB LEU B 585 4.259 8.891 -2.543 1.00 0.00 C ATOM 972 CG LEU B 585 5.482 7.973 -2.556 1.00 0.00 C ATOM 973 CD1 LEU B 585 6.006 7.802 -3.974 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.571 8.523 -1.647 1.00 0.00 C ATOM 0 H LEU B 585 4.026 9.636 -4.880 1.00 0.00 H new ATOM 0 HA LEU B 585 3.084 7.370 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.573 9.887 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.905 8.977 -1.516 1.00 0.00 H new ATOM 0 HG LEU B 585 5.182 6.995 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.876 7.146 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.228 7.363 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.290 8.774 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.434 7.857 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.868 9.513 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.193 8.594 -0.627 1.00 0.00 H new ATOM 986 N LEU B 586 1.272 10.053 -3.207 1.00 0.00 N ATOM 987 CA LEU B 586 0.019 10.583 -2.681 1.00 0.00 C ATOM 988 C LEU B 586 -1.177 9.973 -3.405 1.00 0.00 C ATOM 989 O LEU B 586 -2.292 9.969 -2.885 1.00 0.00 O ATOM 990 CB LEU B 586 -0.010 12.106 -2.817 1.00 0.00 C ATOM 991 CG LEU B 586 -1.341 12.784 -2.488 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.105 14.166 -1.899 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.214 12.874 -3.731 1.00 0.00 C ATOM 0 H LEU B 586 1.717 10.643 -3.910 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.045 10.317 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.758 12.524 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.264 12.365 -3.840 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.861 12.179 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.063 14.633 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.519 14.076 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.564 14.781 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.157 13.359 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.700 13.456 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.412 11.871 -4.110 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.936 9.459 -4.607 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.994 8.846 -5.401 1.00 0.00 C ATOM 1007 C GLU B 587 -2.321 7.448 -4.884 1.00 0.00 C ATOM 1008 O GLU B 587 -3.473 7.144 -4.572 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.580 8.773 -6.873 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.743 8.927 -7.839 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.291 9.275 -9.244 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -1.533 10.256 -9.397 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -2.694 8.567 -10.190 1.00 0.00 O ATOM 0 H GLU B 587 -0.018 9.455 -5.052 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.886 9.466 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -0.845 9.553 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -1.089 7.817 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.315 7.999 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -3.414 9.705 -7.474 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.301 6.601 -4.798 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.479 5.236 -4.320 1.00 0.00 C ATOM 1022 C ILE B 588 -2.566 5.166 -3.251 1.00 0.00 C ATOM 1023 O ILE B 588 -3.583 4.497 -3.429 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.170 4.666 -3.743 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.737 5.800 -3.260 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.542 3.817 -4.785 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.756 5.362 -2.232 1.00 0.00 C ATOM 0 H ILE B 588 -0.342 6.836 -5.053 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.778 4.637 -5.180 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.412 4.032 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.258 6.228 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.120 6.591 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.465 3.421 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.103 2.991 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.775 4.430 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.364 6.217 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.242 4.961 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.397 4.592 -2.661 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.343 5.863 -2.142 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.304 5.882 -1.046 1.00 0.00 C ATOM 1041 C ASP B 589 -2.758 6.670 0.141 1.00 0.00 C ATOM 1042 O ASP B 589 -1.836 6.224 0.823 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.645 4.456 -0.613 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.048 4.048 -1.019 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.014 4.653 -0.508 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.180 3.124 -1.849 1.00 0.00 O ATOM 0 H ASP B 589 -1.506 6.422 -1.979 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.211 6.372 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -2.927 3.764 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.545 4.374 0.469 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.333 7.844 0.380 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.902 8.695 1.484 1.00 0.00 C ATOM 1053 C ASN B 590 -2.882 7.916 2.796 1.00 0.00 C ATOM 1054 O ASN B 590 -1.941 8.027 3.581 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.827 9.907 1.612 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.581 10.939 0.528 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.445 11.353 0.297 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.648 11.359 -0.142 1.00 0.00 N ATOM 0 H ASN B 590 -4.098 8.228 -0.175 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.890 9.039 1.271 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.864 9.575 1.566 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.683 10.369 2.589 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.545 12.053 -0.883 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.571 10.988 0.084 1.00 0.00 H new ATOM 1065 N SER B 591 -3.928 7.128 3.025 1.00 0.00 N ATOM 1066 CA SER B 591 -4.032 6.332 4.243 1.00 0.00 C ATOM 1067 C SER B 591 -2.797 5.456 4.427 1.00 0.00 C ATOM 1068 O SER B 591 -2.304 5.287 5.542 1.00 0.00 O ATOM 1069 CB SER B 591 -5.288 5.460 4.201 1.00 0.00 C ATOM 1070 OG SER B 591 -5.826 5.278 5.500 1.00 0.00 O ATOM 0 H SER B 591 -4.715 7.024 2.384 1.00 0.00 H new ATOM 0 HA SER B 591 -4.100 7.015 5.090 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.035 5.923 3.556 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.047 4.491 3.765 1.00 0.00 H new ATOM 0 HG SER B 591 -6.629 4.719 5.446 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.302 4.902 3.325 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.125 4.042 3.365 1.00 0.00 C ATOM 1078 C GLU B 592 0.111 4.832 3.785 1.00 0.00 C ATOM 1079 O GLU B 592 0.992 4.311 4.471 1.00 0.00 O ATOM 1080 CB GLU B 592 -0.891 3.396 1.998 1.00 0.00 C ATOM 1081 CG GLU B 592 0.147 2.287 2.018 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.104 1.272 3.116 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.261 0.821 3.254 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.856 0.928 3.837 1.00 0.00 O ATOM 0 H GLU B 592 -2.697 5.033 2.394 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.303 3.259 4.102 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.834 2.992 1.630 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.576 4.164 1.292 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.150 1.780 1.053 1.00 0.00 H new ATOM 0 HG3 GLU B 592 1.137 2.723 2.151 1.00 0.00 H new ATOM 1091 N LEU B 593 0.171 6.092 3.367 1.00 0.00 N ATOM 1092 CA LEU B 593 1.299 6.955 3.699 1.00 0.00 C ATOM 1093 C LEU B 593 1.280 7.333 5.176 1.00 0.00 C ATOM 1094 O LEU B 593 2.323 7.386 5.828 1.00 0.00 O ATOM 1095 CB LEU B 593 1.270 8.218 2.837 1.00 0.00 C ATOM 1096 CG LEU B 593 0.678 8.062 1.436 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.757 9.375 0.673 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.396 6.957 0.674 1.00 0.00 C ATOM 0 H LEU B 593 -0.548 6.538 2.798 1.00 0.00 H new ATOM 0 HA LEU B 593 2.218 6.405 3.496 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.701 8.982 3.367 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.290 8.590 2.739 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.372 7.786 1.535 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.331 9.244 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.198 10.142 1.209 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.799 9.682 0.584 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.962 6.860 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.454 7.204 0.586 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.287 6.015 1.211 1.00 0.00 H new ATOM 1110 N LEU B 594 0.087 7.594 5.699 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.069 7.965 7.102 1.00 0.00 C ATOM 1112 C LEU B 594 0.424 6.850 8.018 1.00 0.00 C ATOM 1113 O LEU B 594 0.667 7.070 9.205 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.535 8.280 7.406 1.00 0.00 C ATOM 1115 CG LEU B 594 -2.000 9.698 7.072 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.480 9.861 7.383 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.176 10.723 7.837 1.00 0.00 C ATOM 0 H LEU B 594 -0.786 7.556 5.173 1.00 0.00 H new ATOM 0 HA LEU B 594 0.533 8.854 7.287 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.159 7.576 6.856 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.712 8.101 8.467 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.853 9.867 6.005 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.793 10.876 7.139 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.057 9.151 6.790 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.652 9.673 8.443 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.521 11.726 7.587 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.291 10.556 8.908 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.125 10.622 7.565 1.00 0.00 H new ATOM 1129 N HIS B 595 0.571 5.653 7.459 1.00 0.00 N ATOM 1130 CA HIS B 595 1.039 4.503 8.226 1.00 0.00 C ATOM 1131 C HIS B 595 2.376 4.000 7.690 1.00 0.00 C ATOM 1132 O HIS B 595 3.049 3.195 8.332 1.00 0.00 O ATOM 1133 CB HIS B 595 0.003 3.379 8.183 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.128 2.636 9.476 1.00 0.00 C ATOM 1135 ND1 HIS B 595 -0.134 3.259 10.706 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.260 1.312 9.727 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -0.262 2.351 11.657 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.341 1.161 11.089 1.00 0.00 N ATOM 0 H HIS B 595 0.373 5.454 6.478 1.00 0.00 H new ATOM 0 HA HIS B 595 1.178 4.819 9.260 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -0.966 3.799 7.915 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.274 2.676 7.395 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -0.295 0.521 8.992 1.00 0.00 H new ATOM 0 HE1 HIS B 595 -0.296 2.548 12.718 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -0.445 0.274 11.582 1.00 0.00 H new ATOM 1146 N MET B 596 2.753 4.480 6.509 1.00 0.00 N ATOM 1147 CA MET B 596 4.009 4.078 5.887 1.00 0.00 C ATOM 1148 C MET B 596 5.174 4.892 6.442 1.00 0.00 C ATOM 1149 O MET B 596 6.309 4.414 6.495 1.00 0.00 O ATOM 1150 CB MET B 596 3.929 4.249 4.369 1.00 0.00 C ATOM 1151 CG MET B 596 5.210 3.866 3.646 1.00 0.00 C ATOM 1152 SD MET B 596 5.740 5.117 2.461 1.00 0.00 S ATOM 1153 CE MET B 596 4.199 5.458 1.616 1.00 0.00 C ATOM 0 H MET B 596 2.207 5.147 5.964 1.00 0.00 H new ATOM 0 HA MET B 596 4.180 3.027 6.118 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.110 3.641 3.986 1.00 0.00 H new ATOM 0 HB3 MET B 596 3.689 5.287 4.141 1.00 0.00 H new ATOM 0 HG2 MET B 596 6.002 3.706 4.378 1.00 0.00 H new ATOM 0 HG3 MET B 596 5.060 2.920 3.127 1.00 0.00 H new ATOM 0 HE1 MET B 596 4.407 5.789 0.599 1.00 0.00 H new ATOM 0 HE2 MET B 596 3.592 4.553 1.586 1.00 0.00 H new ATOM 0 HE3 MET B 596 3.658 6.240 2.148 1.00 0.00 H new ATOM 1163 N LEU B 597 4.888 6.122 6.854 1.00 0.00 N ATOM 1164 CA LEU B 597 5.913 7.002 7.404 1.00 0.00 C ATOM 1165 C LEU B 597 6.381 6.506 8.768 1.00 0.00 C ATOM 1166 O LEU B 597 7.322 7.049 9.346 1.00 0.00 O ATOM 1167 CB LEU B 597 5.375 8.429 7.525 1.00 0.00 C ATOM 1168 CG LEU B 597 4.483 8.710 8.734 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.436 7.619 8.890 1.00 0.00 C ATOM 1170 CD2 LEU B 597 5.321 8.833 9.999 1.00 0.00 C ATOM 0 H LEU B 597 3.955 6.533 6.818 1.00 0.00 H new ATOM 0 HA LEU B 597 6.765 6.997 6.724 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.222 9.114 7.557 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.812 8.661 6.621 1.00 0.00 H new ATOM 0 HG LEU B 597 3.969 9.657 8.569 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.810 7.836 9.756 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.815 7.580 7.995 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.930 6.658 9.031 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.669 9.033 10.849 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.863 7.903 10.168 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.032 9.652 9.886 1.00 0.00 H new ATOM 1182 N GLU B 598 5.720 5.470 9.275 1.00 0.00 N ATOM 1183 CA GLU B 598 6.071 4.900 10.570 1.00 0.00 C ATOM 1184 C GLU B 598 7.217 3.902 10.433 1.00 0.00 C ATOM 1185 O GLU B 598 7.631 3.278 11.410 1.00 0.00 O ATOM 1186 CB GLU B 598 4.855 4.215 11.197 1.00 0.00 C ATOM 1187 CG GLU B 598 3.575 5.028 11.090 1.00 0.00 C ATOM 1188 CD GLU B 598 2.497 4.545 12.041 1.00 0.00 C ATOM 1189 OE1 GLU B 598 2.461 3.331 12.329 1.00 0.00 O ATOM 1190 OE2 GLU B 598 1.688 5.381 12.495 1.00 0.00 O ATOM 0 H GLU B 598 4.939 5.009 8.809 1.00 0.00 H new ATOM 0 HA GLU B 598 6.396 5.713 11.220 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.704 3.250 10.714 1.00 0.00 H new ATOM 0 HB3 GLU B 598 5.062 4.017 12.249 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.795 6.075 11.298 1.00 0.00 H new ATOM 0 HG3 GLU B 598 3.201 4.978 10.067 1.00 0.00 H new ATOM 1197 N SER B 599 7.724 3.757 9.214 1.00 0.00 N ATOM 1198 CA SER B 599 8.819 2.831 8.946 1.00 0.00 C ATOM 1199 C SER B 599 9.808 3.433 7.953 1.00 0.00 C ATOM 1200 O SER B 599 9.432 3.969 6.911 1.00 0.00 O ATOM 1201 CB SER B 599 8.276 1.508 8.405 1.00 0.00 C ATOM 1202 OG SER B 599 9.144 0.433 8.720 1.00 0.00 O ATOM 0 H SER B 599 7.395 4.269 8.395 1.00 0.00 H new ATOM 0 HA SER B 599 9.341 2.643 9.884 1.00 0.00 H new ATOM 0 HB2 SER B 599 7.289 1.317 8.826 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.154 1.576 7.324 1.00 0.00 H new ATOM 0 HG SER B 599 8.773 -0.402 8.365 1.00 0.00 H new ATOM 1208 N PRO B 600 11.105 3.343 8.283 1.00 0.00 N ATOM 1209 CA PRO B 600 12.177 3.871 7.434 1.00 0.00 C ATOM 1210 C PRO B 600 12.347 3.069 6.148 1.00 0.00 C ATOM 1211 O PRO B 600 12.419 3.636 5.058 1.00 0.00 O ATOM 1212 CB PRO B 600 13.423 3.742 8.313 1.00 0.00 C ATOM 1213 CG PRO B 600 13.106 2.636 9.259 1.00 0.00 C ATOM 1214 CD PRO B 600 11.626 2.717 9.510 1.00 0.00 C ATOM 0 HA PRO B 600 11.973 4.891 7.108 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.306 3.512 7.717 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.630 4.671 8.845 1.00 0.00 H new ATOM 0 HG2 PRO B 600 13.377 1.670 8.834 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.666 2.745 10.188 1.00 0.00 H new ATOM 0 HD2 PRO B 600 11.192 1.731 9.673 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.400 3.315 10.393 1.00 0.00 H new ATOM 1222 N GLU B 601 12.409 1.748 6.284 1.00 0.00 N ATOM 1223 CA GLU B 601 12.571 0.869 5.132 1.00 0.00 C ATOM 1224 C GLU B 601 11.426 1.055 4.140 1.00 0.00 C ATOM 1225 O GLU B 601 11.553 0.730 2.960 1.00 0.00 O ATOM 1226 CB GLU B 601 12.639 -0.591 5.582 1.00 0.00 C ATOM 1227 CG GLU B 601 12.982 -1.559 4.461 1.00 0.00 C ATOM 1228 CD GLU B 601 12.807 -3.009 4.868 1.00 0.00 C ATOM 1229 OE1 GLU B 601 11.649 -3.475 4.921 1.00 0.00 O ATOM 1230 OE2 GLU B 601 13.828 -3.677 5.133 1.00 0.00 O ATOM 0 H GLU B 601 12.350 1.264 7.180 1.00 0.00 H new ATOM 0 HA GLU B 601 13.505 1.132 4.635 1.00 0.00 H new ATOM 0 HB2 GLU B 601 13.384 -0.684 6.372 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.679 -0.874 6.014 1.00 0.00 H new ATOM 0 HG2 GLU B 601 12.350 -1.349 3.598 1.00 0.00 H new ATOM 0 HG3 GLU B 601 14.013 -1.395 4.148 1.00 0.00 H new ATOM 1237 N SER B 602 10.307 1.579 4.630 1.00 0.00 N ATOM 1238 CA SER B 602 9.137 1.804 3.789 1.00 0.00 C ATOM 1239 C SER B 602 9.222 3.158 3.091 1.00 0.00 C ATOM 1240 O SER B 602 9.100 3.249 1.869 1.00 0.00 O ATOM 1241 CB SER B 602 7.859 1.729 4.627 1.00 0.00 C ATOM 1242 OG SER B 602 7.738 0.468 5.261 1.00 0.00 O ATOM 0 H SER B 602 10.186 1.856 5.604 1.00 0.00 H new ATOM 0 HA SER B 602 9.111 1.024 3.028 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.867 2.518 5.379 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.992 1.904 3.990 1.00 0.00 H new ATOM 0 HG SER B 602 6.914 0.446 5.792 1.00 0.00 H new ATOM 1248 N LEU B 603 9.431 4.209 3.876 1.00 0.00 N ATOM 1249 CA LEU B 603 9.533 5.560 3.335 1.00 0.00 C ATOM 1250 C LEU B 603 10.566 5.622 2.215 1.00 0.00 C ATOM 1251 O LEU B 603 10.251 6.004 1.088 1.00 0.00 O ATOM 1252 CB LEU B 603 9.905 6.548 4.443 1.00 0.00 C ATOM 1253 CG LEU B 603 10.071 8.006 4.014 1.00 0.00 C ATOM 1254 CD1 LEU B 603 11.476 8.251 3.486 1.00 0.00 C ATOM 1255 CD2 LEU B 603 9.033 8.374 2.964 1.00 0.00 C ATOM 0 H LEU B 603 9.533 4.152 4.889 1.00 0.00 H new ATOM 0 HA LEU B 603 8.562 5.834 2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.137 6.503 5.215 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.837 6.216 4.900 1.00 0.00 H new ATOM 0 HG LEU B 603 9.918 8.641 4.886 1.00 0.00 H new ATOM 0 HD11 LEU B 603 11.575 9.294 3.186 1.00 0.00 H new ATOM 0 HD12 LEU B 603 12.202 8.028 4.267 1.00 0.00 H new ATOM 0 HD13 LEU B 603 11.659 7.607 2.626 1.00 0.00 H new ATOM 0 HD21 LEU B 603 9.166 9.415 2.670 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.155 7.732 2.091 1.00 0.00 H new ATOM 0 HD23 LEU B 603 8.034 8.238 3.377 1.00 0.00 H new ATOM 1267 N ARG B 604 11.799 5.241 2.532 1.00 0.00 N ATOM 1268 CA ARG B 604 12.878 5.251 1.552 1.00 0.00 C ATOM 1269 C ARG B 604 12.547 4.346 0.369 1.00 0.00 C ATOM 1270 O ARG B 604 12.895 4.647 -0.773 1.00 0.00 O ATOM 1271 CB ARG B 604 14.189 4.803 2.200 1.00 0.00 C ATOM 1272 CG ARG B 604 14.839 5.873 3.062 1.00 0.00 C ATOM 1273 CD ARG B 604 15.584 6.894 2.215 1.00 0.00 C ATOM 1274 NE ARG B 604 16.819 6.348 1.661 1.00 0.00 N ATOM 1275 CZ ARG B 604 17.780 7.097 1.131 1.00 0.00 C ATOM 1276 NH1 ARG B 604 17.649 8.415 1.084 1.00 0.00 N ATOM 1277 NH2 ARG B 604 18.876 6.526 0.646 1.00 0.00 N ATOM 0 H ARG B 604 12.076 4.921 3.460 1.00 0.00 H new ATOM 0 HA ARG B 604 12.992 6.271 1.186 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.999 3.921 2.812 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.887 4.504 1.418 1.00 0.00 H new ATOM 0 HG2 ARG B 604 14.076 6.378 3.655 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.531 5.406 3.763 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.940 7.230 1.403 1.00 0.00 H new ATOM 0 HD3 ARG B 604 15.815 7.769 2.822 1.00 0.00 H new ATOM 0 HE ARG B 604 16.951 5.337 1.682 1.00 0.00 H new ATOM 0 HH11 ARG B 604 16.808 8.858 1.455 1.00 0.00 H new ATOM 0 HH12 ARG B 604 18.389 8.987 0.676 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.981 5.512 0.680 1.00 0.00 H new ATOM 0 HH22 ARG B 604 19.613 7.101 0.239 1.00 0.00 H new ATOM 1291 N SER B 605 11.874 3.235 0.651 1.00 0.00 N ATOM 1292 CA SER B 605 11.500 2.283 -0.389 1.00 0.00 C ATOM 1293 C SER B 605 10.643 2.955 -1.457 1.00 0.00 C ATOM 1294 O SER B 605 10.930 2.860 -2.651 1.00 0.00 O ATOM 1295 CB SER B 605 10.742 1.102 0.220 1.00 0.00 C ATOM 1296 OG SER B 605 11.611 0.008 0.461 1.00 0.00 O ATOM 0 H SER B 605 11.577 2.972 1.591 1.00 0.00 H new ATOM 0 HA SER B 605 12.413 1.917 -0.858 1.00 0.00 H new ATOM 0 HB2 SER B 605 10.272 1.410 1.154 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.942 0.794 -0.453 1.00 0.00 H new ATOM 0 HG SER B 605 11.918 0.033 1.391 1.00 0.00 H new ATOM 1302 N LYS B 606 9.588 3.634 -1.020 1.00 0.00 N ATOM 1303 CA LYS B 606 8.688 4.324 -1.937 1.00 0.00 C ATOM 1304 C LYS B 606 9.422 5.429 -2.691 1.00 0.00 C ATOM 1305 O LYS B 606 9.367 5.497 -3.919 1.00 0.00 O ATOM 1306 CB LYS B 606 7.503 4.916 -1.171 1.00 0.00 C ATOM 1307 CG LYS B 606 6.423 3.899 -0.841 1.00 0.00 C ATOM 1308 CD LYS B 606 5.745 3.378 -2.097 1.00 0.00 C ATOM 1309 CE LYS B 606 5.046 4.495 -2.856 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.279 3.976 -4.023 1.00 0.00 N ATOM 0 H LYS B 606 9.335 3.721 -0.036 1.00 0.00 H new ATOM 0 HA LYS B 606 8.319 3.597 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS B 606 7.866 5.362 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS B 606 7.065 5.720 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS B 606 6.862 3.066 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.679 4.356 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.486 2.906 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.020 2.610 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.371 5.024 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.785 5.219 -3.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 3.622 4.708 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 4.938 3.724 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.741 3.133 -3.738 1.00 0.00 H new ATOM 1324 N VAL B 607 10.108 6.291 -1.949 1.00 0.00 N ATOM 1325 CA VAL B 607 10.855 7.391 -2.548 1.00 0.00 C ATOM 1326 C VAL B 607 11.792 6.888 -3.640 1.00 0.00 C ATOM 1327 O VAL B 607 11.768 7.380 -4.768 1.00 0.00 O ATOM 1328 CB VAL B 607 11.677 8.153 -1.491 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.528 9.228 -2.150 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.760 8.758 -0.438 1.00 0.00 C ATOM 0 H VAL B 607 10.162 6.249 -0.931 1.00 0.00 H new ATOM 0 HA VAL B 607 10.123 8.070 -2.986 1.00 0.00 H new ATOM 0 HB VAL B 607 12.345 7.447 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.102 9.756 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.211 8.765 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL B 607 11.882 9.934 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.357 9.293 0.301 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.067 9.451 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.199 7.964 0.055 1.00 0.00 H new ATOM 1340 N ASP B 608 12.617 5.905 -3.297 1.00 0.00 N ATOM 1341 CA ASP B 608 13.563 5.333 -4.248 1.00 0.00 C ATOM 1342 C ASP B 608 12.839 4.804 -5.482 1.00 0.00 C ATOM 1343 O ASP B 608 13.196 5.135 -6.612 1.00 0.00 O ATOM 1344 CB ASP B 608 14.365 4.209 -3.590 1.00 0.00 C ATOM 1345 CG ASP B 608 15.507 3.726 -4.462 1.00 0.00 C ATOM 1346 OD1 ASP B 608 16.611 4.302 -4.368 1.00 0.00 O ATOM 1347 OD2 ASP B 608 15.297 2.771 -5.238 1.00 0.00 O ATOM 0 H ASP B 608 12.650 5.487 -2.367 1.00 0.00 H new ATOM 0 HA ASP B 608 14.248 6.121 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.762 4.560 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.701 3.373 -3.370 1.00 0.00 H new ATOM 1352 N GLU B 609 11.821 3.979 -5.257 1.00 0.00 N ATOM 1353 CA GLU B 609 11.049 3.402 -6.351 1.00 0.00 C ATOM 1354 C GLU B 609 10.491 4.495 -7.258 1.00 0.00 C ATOM 1355 O GLU B 609 10.675 4.461 -8.474 1.00 0.00 O ATOM 1356 CB GLU B 609 9.906 2.546 -5.802 1.00 0.00 C ATOM 1357 CG GLU B 609 10.366 1.229 -5.201 1.00 0.00 C ATOM 1358 CD GLU B 609 10.439 0.114 -6.227 1.00 0.00 C ATOM 1359 OE1 GLU B 609 10.496 0.422 -7.435 1.00 0.00 O ATOM 1360 OE2 GLU B 609 10.440 -1.067 -5.819 1.00 0.00 O ATOM 0 H GLU B 609 11.512 3.695 -4.327 1.00 0.00 H new ATOM 0 HA GLU B 609 11.715 2.771 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.370 3.115 -5.042 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.198 2.341 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU B 609 11.347 1.364 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.682 0.939 -4.403 1.00 0.00 H new ATOM 1367 N ALA B 610 9.808 5.464 -6.656 1.00 0.00 N ATOM 1368 CA ALA B 610 9.224 6.567 -7.408 1.00 0.00 C ATOM 1369 C ALA B 610 10.262 7.226 -8.311 1.00 0.00 C ATOM 1370 O ALA B 610 10.103 7.264 -9.532 1.00 0.00 O ATOM 1371 CB ALA B 610 8.621 7.592 -6.459 1.00 0.00 C ATOM 0 H ALA B 610 9.646 5.507 -5.650 1.00 0.00 H new ATOM 0 HA ALA B 610 8.433 6.164 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.188 8.410 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.843 7.119 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.399 7.982 -5.802 1.00 0.00 H new ATOM 1377 N VAL B 611 11.324 7.745 -7.704 1.00 0.00 N ATOM 1378 CA VAL B 611 12.388 8.402 -8.454 1.00 0.00 C ATOM 1379 C VAL B 611 12.876 7.523 -9.600 1.00 0.00 C ATOM 1380 O VAL B 611 13.113 8.005 -10.707 1.00 0.00 O ATOM 1381 CB VAL B 611 13.582 8.750 -7.545 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.630 9.537 -8.318 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.113 9.527 -6.324 1.00 0.00 C ATOM 0 H VAL B 611 11.471 7.723 -6.695 1.00 0.00 H new ATOM 0 HA VAL B 611 11.968 9.323 -8.859 1.00 0.00 H new ATOM 0 HB VAL B 611 14.039 7.821 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.466 9.774 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL B 611 14.987 8.940 -9.158 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.189 10.461 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.969 9.765 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.631 10.451 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.403 8.923 -5.759 1.00 0.00 H new ATOM 1393 N ALA B 612 13.023 6.231 -9.327 1.00 0.00 N ATOM 1394 CA ALA B 612 13.480 5.284 -10.337 1.00 0.00 C ATOM 1395 C ALA B 612 12.532 5.255 -11.531 1.00 0.00 C ATOM 1396 O ALA B 612 12.968 5.235 -12.682 1.00 0.00 O ATOM 1397 CB ALA B 612 13.615 3.894 -9.734 1.00 0.00 C ATOM 0 H ALA B 612 12.832 5.816 -8.415 1.00 0.00 H new ATOM 0 HA ALA B 612 14.458 5.611 -10.691 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.957 3.197 -10.499 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.337 3.920 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.648 3.568 -9.352 1.00 0.00 H new ATOM 1403 N VAL B 613 11.233 5.253 -11.250 1.00 0.00 N ATOM 1404 CA VAL B 613 10.223 5.226 -12.302 1.00 0.00 C ATOM 1405 C VAL B 613 10.291 6.485 -13.159 1.00 0.00 C ATOM 1406 O VAL B 613 10.131 6.427 -14.379 1.00 0.00 O ATOM 1407 CB VAL B 613 8.805 5.093 -11.715 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.764 5.129 -12.822 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.685 3.815 -10.899 1.00 0.00 C ATOM 0 H VAL B 613 10.855 5.270 -10.303 1.00 0.00 H new ATOM 0 HA VAL B 613 10.434 4.355 -12.923 1.00 0.00 H new ATOM 0 HB VAL B 613 8.623 5.939 -11.052 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.768 5.034 -12.389 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.837 6.075 -13.359 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.939 4.305 -13.513 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.677 3.737 -10.492 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.886 2.955 -11.538 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.406 3.836 -10.082 1.00 0.00 H new ATOM 1419 N LEU B 614 10.528 7.622 -12.514 1.00 0.00 N ATOM 1420 CA LEU B 614 10.617 8.897 -13.218 1.00 0.00 C ATOM 1421 C LEU B 614 11.587 8.804 -14.392 1.00 0.00 C ATOM 1422 O LEU B 614 11.373 9.420 -15.435 1.00 0.00 O ATOM 1423 CB LEU B 614 11.064 10.001 -12.259 1.00 0.00 C ATOM 1424 CG LEU B 614 10.185 10.214 -11.025 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.634 11.447 -10.257 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.723 10.337 -11.427 1.00 0.00 C ATOM 0 H LEU B 614 10.662 7.687 -11.505 1.00 0.00 H new ATOM 0 HA LEU B 614 9.628 9.140 -13.606 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.077 9.776 -11.925 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.112 10.939 -12.813 1.00 0.00 H new ATOM 0 HG LEU B 614 10.290 9.347 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU B 614 9.997 11.583 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.668 11.320 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.559 12.324 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.112 10.488 -10.537 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.601 11.186 -12.099 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.407 9.425 -11.933 1.00 0.00 H new ATOM 1438 N GLN B 615 12.652 8.029 -14.213 1.00 0.00 N ATOM 1439 CA GLN B 615 13.653 7.855 -15.258 1.00 0.00 C ATOM 1440 C GLN B 615 13.003 7.431 -16.571 1.00 0.00 C ATOM 1441 O GLN B 615 13.494 7.756 -17.651 1.00 0.00 O ATOM 1442 CB GLN B 615 14.691 6.815 -14.831 1.00 0.00 C ATOM 1443 CG GLN B 615 15.807 6.618 -15.844 1.00 0.00 C ATOM 1444 CD GLN B 615 16.458 5.253 -15.738 1.00 0.00 C ATOM 1445 OE1 GLN B 615 17.552 5.115 -15.190 1.00 0.00 O ATOM 1446 NE2 GLN B 615 15.787 4.235 -16.263 1.00 0.00 N ATOM 0 H GLN B 615 12.843 7.512 -13.355 1.00 0.00 H new ATOM 0 HA GLN B 615 14.150 8.813 -15.412 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.126 7.118 -13.878 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.190 5.861 -14.664 1.00 0.00 H new ATOM 0 HG2 GLN B 615 15.407 6.748 -16.849 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.564 7.389 -15.700 1.00 0.00 H new ATOM 0 HE21 GLN B 615 14.883 4.395 -16.708 1.00 0.00 H new ATOM 0 HE22 GLN B 615 16.175 3.293 -16.222 1.00 0.00 H new ATOM 1455 N ALA B 616 11.895 6.704 -16.469 1.00 0.00 N ATOM 1456 CA ALA B 616 11.176 6.238 -17.648 1.00 0.00 C ATOM 1457 C ALA B 616 10.658 7.410 -18.475 1.00 0.00 C ATOM 1458 O ALA B 616 10.571 7.328 -19.700 1.00 0.00 O ATOM 1459 CB ALA B 616 10.026 5.329 -17.240 1.00 0.00 C ATOM 0 H ALA B 616 11.476 6.425 -15.582 1.00 0.00 H new ATOM 0 HA ALA B 616 11.872 5.671 -18.266 1.00 0.00 H new ATOM 0 HB1 ALA B 616 9.498 4.988 -18.131 1.00 0.00 H new ATOM 0 HB2 ALA B 616 10.417 4.468 -16.699 1.00 0.00 H new ATOM 0 HB3 ALA B 616 9.338 5.879 -16.598 1.00 0.00 H new ATOM 1465 N HIS B 617 10.316 8.501 -17.797 1.00 0.00 N ATOM 1466 CA HIS B 617 9.807 9.691 -18.470 1.00 0.00 C ATOM 1467 C HIS B 617 10.882 10.770 -18.554 1.00 0.00 C ATOM 1468 O HIS B 617 11.372 11.087 -19.638 1.00 0.00 O ATOM 1469 CB HIS B 617 8.581 10.233 -17.734 1.00 0.00 C ATOM 1470 CG HIS B 617 7.712 11.109 -18.584 1.00 0.00 C ATOM 1471 ND1 HIS B 617 6.445 11.504 -18.207 1.00 0.00 N ATOM 1472 CD2 HIS B 617 7.934 11.668 -19.796 1.00 0.00 C ATOM 1473 CE1 HIS B 617 5.925 12.266 -19.153 1.00 0.00 C ATOM 1474 NE2 HIS B 617 6.809 12.382 -20.128 1.00 0.00 N ATOM 0 H HIS B 617 10.382 8.586 -16.783 1.00 0.00 H new ATOM 0 HA HIS B 617 9.519 9.410 -19.483 1.00 0.00 H new ATOM 0 HB2 HIS B 617 7.989 9.395 -17.365 1.00 0.00 H new ATOM 0 HB3 HIS B 617 8.911 10.798 -16.862 1.00 0.00 H new ATOM 0 HD2 HIS B 617 8.830 11.571 -20.392 1.00 0.00 H new ATOM 0 HE1 HIS B 617 4.944 12.717 -19.133 1.00 0.00 H new ATOM 0 HE2 HIS B 617 6.677 12.915 -20.988 1.00 0.00 H new ATOM 1482 N GLN B 618 11.244 11.329 -17.404 1.00 0.00 N ATOM 1483 CA GLN B 618 12.260 12.373 -17.349 1.00 0.00 C ATOM 1484 C GLN B 618 13.100 12.250 -16.082 1.00 0.00 C ATOM 1485 O GLN B 618 12.569 12.255 -14.971 1.00 0.00 O ATOM 1486 CB GLN B 618 11.606 13.755 -17.409 1.00 0.00 C ATOM 1487 CG GLN B 618 11.004 14.084 -18.766 1.00 0.00 C ATOM 1488 CD GLN B 618 12.044 14.538 -19.771 1.00 0.00 C ATOM 1489 OE1 GLN B 618 13.146 13.992 -19.831 1.00 0.00 O ATOM 1490 NE2 GLN B 618 11.698 15.542 -20.568 1.00 0.00 N ATOM 0 H GLN B 618 10.849 11.076 -16.498 1.00 0.00 H new ATOM 0 HA GLN B 618 12.916 12.251 -18.211 1.00 0.00 H new ATOM 0 HB2 GLN B 618 10.825 13.812 -16.651 1.00 0.00 H new ATOM 0 HB3 GLN B 618 12.350 14.511 -17.158 1.00 0.00 H new ATOM 0 HG2 GLN B 618 10.489 13.205 -19.154 1.00 0.00 H new ATOM 0 HG3 GLN B 618 10.254 14.866 -18.647 1.00 0.00 H new ATOM 0 HE21 GLN B 618 10.774 15.965 -20.483 1.00 0.00 H new ATOM 0 HE22 GLN B 618 12.356 15.890 -21.265 1.00 0.00 H new ATOM 1499 N ALA B 619 14.413 12.139 -16.256 1.00 0.00 N ATOM 1500 CA ALA B 619 15.325 12.016 -15.126 1.00 0.00 C ATOM 1501 C ALA B 619 15.115 13.147 -14.124 1.00 0.00 C ATOM 1502 O ALA B 619 14.584 12.934 -13.034 1.00 0.00 O ATOM 1503 CB ALA B 619 16.767 12.001 -15.611 1.00 0.00 C ATOM 0 H ALA B 619 14.868 12.132 -17.169 1.00 0.00 H new ATOM 0 HA ALA B 619 15.112 11.074 -14.621 1.00 0.00 H new ATOM 0 HB1 ALA B 619 17.437 11.909 -14.756 1.00 0.00 H new ATOM 0 HB2 ALA B 619 16.916 11.155 -16.282 1.00 0.00 H new ATOM 0 HB3 ALA B 619 16.982 12.928 -16.142 1.00 0.00 H new ATOM 1509 N LYS B 620 15.534 14.350 -14.500 1.00 0.00 N ATOM 1510 CA LYS B 620 15.392 15.516 -13.636 1.00 0.00 C ATOM 1511 C LYS B 620 14.396 16.510 -14.224 1.00 0.00 C ATOM 1512 O LYS B 620 13.822 17.326 -13.504 1.00 0.00 O ATOM 1513 CB LYS B 620 16.748 16.195 -13.433 1.00 0.00 C ATOM 1514 CG LYS B 620 16.918 16.814 -12.057 1.00 0.00 C ATOM 1515 CD LYS B 620 18.362 17.211 -11.798 1.00 0.00 C ATOM 1516 CE LYS B 620 18.562 17.688 -10.368 1.00 0.00 C ATOM 1517 NZ LYS B 620 20.004 17.766 -10.005 1.00 0.00 N ATOM 0 H LYS B 620 15.975 14.543 -15.399 1.00 0.00 H new ATOM 0 HA LYS B 620 15.015 15.178 -12.671 1.00 0.00 H new ATOM 0 HB2 LYS B 620 17.539 15.463 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS B 620 16.874 16.970 -14.189 1.00 0.00 H new ATOM 0 HG2 LYS B 620 16.277 17.692 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS B 620 16.592 16.105 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS B 620 19.015 16.360 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS B 620 18.653 18.001 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS B 620 18.103 18.669 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS B 620 18.052 17.010 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 620 20.097 18.095 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 620 20.437 16.825 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 620 20.486 18.433 -10.641 1.00 0.00 H new ATOM 1531 N GLU B 621 14.196 16.435 -15.536 1.00 0.00 N ATOM 1532 CA GLU B 621 13.268 17.329 -16.219 1.00 0.00 C ATOM 1533 C GLU B 621 11.838 16.806 -16.123 1.00 0.00 C ATOM 1534 O GLU B 621 11.168 16.611 -17.137 1.00 0.00 O ATOM 1535 CB GLU B 621 13.667 17.489 -17.688 1.00 0.00 C ATOM 1536 CG GLU B 621 12.997 18.666 -18.376 1.00 0.00 C ATOM 1537 CD GLU B 621 13.410 20.000 -17.784 1.00 0.00 C ATOM 1538 OE1 GLU B 621 14.433 20.557 -18.235 1.00 0.00 O ATOM 1539 OE2 GLU B 621 12.711 20.486 -16.871 1.00 0.00 O ATOM 0 H GLU B 621 14.664 15.765 -16.147 1.00 0.00 H new ATOM 0 HA GLU B 621 13.314 18.302 -15.729 1.00 0.00 H new ATOM 0 HB2 GLU B 621 14.748 17.610 -17.751 1.00 0.00 H new ATOM 0 HB3 GLU B 621 13.417 16.574 -18.225 1.00 0.00 H new ATOM 0 HG2 GLU B 621 13.245 18.651 -19.437 1.00 0.00 H new ATOM 0 HG3 GLU B 621 11.915 18.558 -18.300 1.00 0.00 H new ATOM 1546 N ALA B 622 11.377 16.582 -14.897 1.00 0.00 N ATOM 1547 CA ALA B 622 10.027 16.083 -14.668 1.00 0.00 C ATOM 1548 C ALA B 622 9.092 17.208 -14.236 1.00 0.00 C ATOM 1549 O ALA B 622 8.920 17.462 -13.044 1.00 0.00 O ATOM 1550 CB ALA B 622 10.043 14.977 -13.623 1.00 0.00 C ATOM 0 H ALA B 622 11.919 16.738 -14.047 1.00 0.00 H new ATOM 0 HA ALA B 622 9.653 15.675 -15.607 1.00 0.00 H new ATOM 0 HB1 ALA B 622 9.028 14.614 -13.462 1.00 0.00 H new ATOM 0 HB2 ALA B 622 10.671 14.157 -13.971 1.00 0.00 H new ATOM 0 HB3 ALA B 622 10.442 15.367 -12.686 1.00 0.00 H new ATOM 1556 N ALA B 623 8.491 17.879 -15.213 1.00 0.00 N ATOM 1557 CA ALA B 623 7.573 18.976 -14.934 1.00 0.00 C ATOM 1558 C ALA B 623 6.389 18.960 -15.894 1.00 0.00 C ATOM 1559 O ALA B 623 6.429 18.298 -16.932 1.00 0.00 O ATOM 1560 CB ALA B 623 8.302 20.309 -15.015 1.00 0.00 C ATOM 0 H ALA B 623 8.624 17.682 -16.205 1.00 0.00 H new ATOM 0 HA ALA B 623 7.189 18.845 -13.922 1.00 0.00 H new ATOM 0 HB1 ALA B 623 7.604 21.119 -14.804 1.00 0.00 H new ATOM 0 HB2 ALA B 623 9.110 20.327 -14.283 1.00 0.00 H new ATOM 0 HB3 ALA B 623 8.715 20.437 -16.015 1.00 0.00 H new TER 1566 ALA B 623