USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1108 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: A 95 GLN : amide:sc= -6.9! C(o=-13!,f=-9.2!) USER MOD Set 1.2: A 99 GLN : amide:sc= -6.41! K(o=-13!,f=-7) USER MOD Set 2.1: A 89 THR OG1 : rot -52:sc= 0.581 USER MOD Set 2.2: A 97 CYS SG : rot 89:sc= 0.85 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 69 SER OG : rot 180:sc= -1.38 USER MOD Set 4.2: A 120 ASN : amide:sc= 0.427 K(o=-0.95,f=-4.1!) USER MOD Set 5.1: A 18 THR OG1 : rot 124:sc= -5.1! USER MOD Set 5.2: A 29 LYS NZ :NH3+ -117:sc= -11.1! (180deg=-14.9!) USER MOD Set 6.1: A 24 ASN : amide:sc= 0.0858 K(o=-3.1,f=-6.7!) USER MOD Set 6.2: A 27 SER OG : rot -155:sc= -3.21! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= -0.0395 (180deg=-0.603) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= -0.821 (180deg=-1.2) USER MOD Single : A 6 THR OG1 : rot 125:sc= -1.52 USER MOD Single : A 8 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.6!) USER MOD Single : A 10 GLN : amide:sc= -1.84 X(o=-1.8,f=-2.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -7.52! C(o=-7.5!,f=-7.7!) USER MOD Single : A 30 CYS SG : rot 20:sc= -8.79! USER MOD Single : A 32 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.59) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.479 USER MOD Single : A 40 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 48 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.5!) USER MOD Single : A 52 THR OG1 : rot 35:sc= 0.225 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -106:sc= -7.39! (180deg=-14.6!) USER MOD Single : A 61 THR OG1 : rot 72:sc= -0.286 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.3) USER MOD Single : A 73 GLN : amide:sc= -8.22! C(o=-8.2!,f=-8.3!) USER MOD Single : A 79 SER OG : rot -82:sc= -0.369! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.66) USER MOD Single : A 86 THR OG1 : rot 49:sc= -9.61! USER MOD Single : A 92 MET CE :methyl -139:sc= -14.4! (180deg=-20!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.042) USER MOD Single : A 106 LYS NZ :NH3+ -125:sc= -1.09! (180deg=-2.01!) USER MOD Single : A 115 ASN : amide:sc= -0.651 K(o=-0.65,f=-2.8!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 110:sc= -0.0336 USER MOD Single : A 131 GLN : amide:sc= -5.57! C(o=-5.6!,f=-13!) USER MOD Single : A 133 LYS NZ :NH3+ 144:sc= -0.1 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.869 -7.581 16.297 1.00 0.00 N ATOM 2 CA MET A 1 22.755 -7.441 15.375 1.00 0.00 C ATOM 3 C MET A 1 22.742 -6.051 14.737 1.00 0.00 C ATOM 4 O MET A 1 22.989 -5.052 15.411 1.00 0.00 O ATOM 5 CB MET A 1 21.441 -7.671 16.124 1.00 0.00 C ATOM 6 CG MET A 1 21.225 -6.599 17.195 1.00 0.00 C ATOM 7 SD MET A 1 20.794 -7.366 18.748 1.00 0.00 S ATOM 8 CE MET A 1 19.845 -6.049 19.491 1.00 0.00 C ATOM 0 H1 MET A 1 23.535 -8.015 17.181 1.00 0.00 H new ATOM 0 H2 MET A 1 24.600 -8.185 15.869 1.00 0.00 H new ATOM 0 H3 MET A 1 24.271 -6.644 16.501 1.00 0.00 H new ATOM 0 HA MET A 1 22.868 -8.182 14.584 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.610 -7.659 15.419 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.451 -8.657 16.588 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.130 -6.003 17.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.433 -5.917 16.884 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.496 -6.362 20.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.471 -5.163 19.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.988 -5.817 18.859 1.00 0.00 H new ATOM 18 N SER A 2 22.453 -6.032 13.444 1.00 0.00 N ATOM 19 CA SER A 2 22.405 -4.780 12.707 1.00 0.00 C ATOM 20 C SER A 2 21.349 -4.864 11.602 1.00 0.00 C ATOM 21 O SER A 2 20.350 -4.147 11.638 1.00 0.00 O ATOM 22 CB SER A 2 23.772 -4.440 12.110 1.00 0.00 C ATOM 23 OG SER A 2 24.786 -4.366 13.108 1.00 0.00 O ATOM 0 H SER A 2 22.250 -6.863 12.888 1.00 0.00 H new ATOM 0 HA SER A 2 22.134 -3.984 13.401 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.044 -5.195 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.711 -3.488 11.584 1.00 0.00 H new ATOM 0 HG SER A 2 25.644 -4.149 12.687 1.00 0.00 H new ATOM 29 N PHE A 3 21.607 -5.745 10.647 1.00 0.00 N ATOM 30 CA PHE A 3 20.692 -5.931 9.534 1.00 0.00 C ATOM 31 C PHE A 3 20.526 -4.635 8.737 1.00 0.00 C ATOM 32 O PHE A 3 20.293 -3.574 9.314 1.00 0.00 O ATOM 33 CB PHE A 3 19.339 -6.327 10.129 1.00 0.00 C ATOM 34 CG PHE A 3 19.003 -7.812 9.978 1.00 0.00 C ATOM 35 CD1 PHE A 3 18.484 -8.277 8.810 1.00 0.00 C ATOM 36 CD2 PHE A 3 19.224 -8.668 11.012 1.00 0.00 C ATOM 37 CE1 PHE A 3 18.173 -9.655 8.670 1.00 0.00 C ATOM 38 CE2 PHE A 3 18.912 -10.046 10.872 1.00 0.00 C ATOM 39 CZ PHE A 3 18.393 -10.511 9.704 1.00 0.00 C ATOM 0 H PHE A 3 22.437 -6.338 10.621 1.00 0.00 H new ATOM 0 HA PHE A 3 21.079 -6.694 8.858 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.330 -6.069 11.188 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.557 -5.738 9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.308 -7.598 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.637 -8.299 11.939 1.00 0.00 H new ATOM 0 HE1 PHE A 3 17.762 -10.024 7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.087 -10.725 11.693 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.156 -11.559 9.598 1.00 0.00 H new ATOM 49 N TRP A 4 20.652 -4.765 7.425 1.00 0.00 N ATOM 50 CA TRP A 4 20.519 -3.617 6.544 1.00 0.00 C ATOM 51 C TRP A 4 19.044 -3.210 6.517 1.00 0.00 C ATOM 52 O TRP A 4 18.719 -2.032 6.649 1.00 0.00 O ATOM 53 CB TRP A 4 21.079 -3.926 5.154 1.00 0.00 C ATOM 54 CG TRP A 4 22.373 -4.742 5.172 1.00 0.00 C ATOM 55 CD1 TRP A 4 22.656 -5.855 4.482 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.556 -4.461 5.949 1.00 0.00 C ATOM 57 NE1 TRP A 4 23.929 -6.311 4.757 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.494 -5.436 5.677 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.825 -3.417 6.851 1.00 0.00 C ATOM 60 CZ2 TRP A 4 25.764 -5.464 6.267 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.098 -3.459 7.432 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.054 -4.434 7.169 1.00 0.00 C ATOM 0 H TRP A 4 20.845 -5.647 6.951 1.00 0.00 H new ATOM 0 HA TRP A 4 21.105 -2.776 6.914 1.00 0.00 H new ATOM 0 HB2 TRP A 4 20.326 -4.470 4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.260 -2.988 4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 4 21.973 -6.335 3.796 1.00 0.00 H new ATOM 0 HE1 TRP A 4 24.373 -7.138 4.358 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.106 -2.643 7.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.481 -6.239 6.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.356 -2.679 8.134 1.00 0.00 H new ATOM 0 HH2 TRP A 4 27.016 -4.397 7.659 1.00 0.00 H new ATOM 73 N LYS A 5 18.191 -4.209 6.344 1.00 0.00 N ATOM 74 CA LYS A 5 16.758 -3.970 6.298 1.00 0.00 C ATOM 75 C LYS A 5 16.196 -3.988 7.721 1.00 0.00 C ATOM 76 O LYS A 5 15.444 -3.095 8.107 1.00 0.00 O ATOM 77 CB LYS A 5 16.079 -4.965 5.356 1.00 0.00 C ATOM 78 CG LYS A 5 16.317 -4.586 3.892 1.00 0.00 C ATOM 79 CD LYS A 5 17.782 -4.794 3.504 1.00 0.00 C ATOM 80 CE LYS A 5 18.470 -3.456 3.223 1.00 0.00 C ATOM 81 NZ LYS A 5 19.592 -3.639 2.276 1.00 0.00 N ATOM 0 H LYS A 5 18.464 -5.186 6.234 1.00 0.00 H new ATOM 0 HA LYS A 5 16.550 -2.983 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.463 -5.968 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.008 -4.991 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.677 -5.189 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.039 -3.544 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.304 -5.314 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.841 -5.430 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.750 -2.750 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.839 -3.027 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.236 -2.825 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.110 -4.509 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.220 -3.712 1.307 1.00 0.00 H new ATOM 95 N THR A 6 16.584 -5.016 8.463 1.00 0.00 N ATOM 96 CA THR A 6 16.128 -5.162 9.834 1.00 0.00 C ATOM 97 C THR A 6 14.603 -5.270 9.881 1.00 0.00 C ATOM 98 O THR A 6 13.899 -4.417 9.342 1.00 0.00 O ATOM 99 CB THR A 6 16.679 -3.987 10.644 1.00 0.00 C ATOM 100 OG1 THR A 6 17.731 -4.559 11.415 1.00 0.00 O ATOM 101 CG2 THR A 6 15.684 -3.478 11.689 1.00 0.00 C ATOM 0 H THR A 6 17.209 -5.755 8.140 1.00 0.00 H new ATOM 0 HA THR A 6 16.501 -6.085 10.278 1.00 0.00 H new ATOM 0 HB THR A 6 16.943 -3.173 9.969 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.561 -4.062 11.256 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.125 -2.644 12.236 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.773 -3.145 11.192 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.444 -4.282 12.385 1.00 0.00 H new ATOM 109 N LEU A 7 14.136 -6.327 10.530 1.00 0.00 N ATOM 110 CA LEU A 7 12.707 -6.557 10.654 1.00 0.00 C ATOM 111 C LEU A 7 12.469 -7.835 11.462 1.00 0.00 C ATOM 112 O LEU A 7 13.411 -8.427 11.985 1.00 0.00 O ATOM 113 CB LEU A 7 12.044 -6.570 9.275 1.00 0.00 C ATOM 114 CG LEU A 7 12.574 -7.609 8.286 1.00 0.00 C ATOM 115 CD1 LEU A 7 13.163 -8.815 9.020 1.00 0.00 C ATOM 116 CD2 LEU A 7 11.490 -8.019 7.287 1.00 0.00 C ATOM 0 H LEU A 7 14.722 -7.033 10.975 1.00 0.00 H new ATOM 0 HA LEU A 7 12.236 -5.740 11.201 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.975 -6.737 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.158 -5.582 8.829 1.00 0.00 H new ATOM 0 HG LEU A 7 13.383 -7.154 7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.533 -9.538 8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.985 -8.488 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.392 -9.279 9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.894 -8.759 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.644 -8.448 7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.159 -7.143 6.729 1.00 0.00 H new ATOM 128 N GLN A 8 11.204 -8.222 11.538 1.00 0.00 N ATOM 129 CA GLN A 8 10.830 -9.418 12.274 1.00 0.00 C ATOM 130 C GLN A 8 10.419 -10.529 11.306 1.00 0.00 C ATOM 131 O GLN A 8 9.256 -10.620 10.917 1.00 0.00 O ATOM 132 CB GLN A 8 9.711 -9.120 13.274 1.00 0.00 C ATOM 133 CG GLN A 8 9.562 -10.259 14.285 1.00 0.00 C ATOM 134 CD GLN A 8 10.329 -9.953 15.573 1.00 0.00 C ATOM 135 OE1 GLN A 8 10.708 -8.826 15.847 1.00 0.00 O ATOM 136 NE2 GLN A 8 10.536 -11.016 16.345 1.00 0.00 N ATOM 0 H GLN A 8 10.425 -7.728 11.102 1.00 0.00 H new ATOM 0 HA GLN A 8 11.697 -9.758 12.841 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.926 -8.189 13.799 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.771 -8.976 12.741 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.507 -10.412 14.513 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.931 -11.187 13.849 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.191 -11.931 16.056 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.039 -10.916 17.227 1.00 0.00 H new ATOM 145 N ARG A 9 11.397 -11.348 10.944 1.00 0.00 N ATOM 146 CA ARG A 9 11.151 -12.449 10.029 1.00 0.00 C ATOM 147 C ARG A 9 10.732 -11.916 8.657 1.00 0.00 C ATOM 148 O ARG A 9 9.765 -11.165 8.548 1.00 0.00 O ATOM 149 CB ARG A 9 10.057 -13.376 10.564 1.00 0.00 C ATOM 150 CG ARG A 9 10.653 -14.472 11.449 1.00 0.00 C ATOM 151 CD ARG A 9 9.581 -15.093 12.349 1.00 0.00 C ATOM 152 NE ARG A 9 8.706 -15.982 11.553 1.00 0.00 N ATOM 153 CZ ARG A 9 7.696 -16.697 12.067 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.427 -16.632 13.378 1.00 0.00 N ATOM 155 NH2 ARG A 9 6.954 -17.477 11.269 1.00 0.00 N ATOM 0 H ARG A 9 12.361 -11.270 11.268 1.00 0.00 H new ATOM 0 HA ARG A 9 12.078 -13.015 9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.331 -12.797 11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.519 -13.828 9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.101 -15.245 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.451 -14.055 12.063 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.052 -15.658 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.987 -14.308 12.816 1.00 0.00 H new ATOM 0 HE ARG A 9 8.883 -16.055 10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.991 -16.038 13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.658 -17.177 13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.158 -17.526 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.185 -18.021 11.660 1.00 0.00 H new ATOM 169 N GLN A 10 11.482 -12.326 7.645 1.00 0.00 N ATOM 170 CA GLN A 10 11.201 -11.899 6.285 1.00 0.00 C ATOM 171 C GLN A 10 9.908 -12.543 5.783 1.00 0.00 C ATOM 172 O GLN A 10 9.698 -13.743 5.959 1.00 0.00 O ATOM 173 CB GLN A 10 12.372 -12.224 5.355 1.00 0.00 C ATOM 174 CG GLN A 10 12.315 -13.680 4.890 1.00 0.00 C ATOM 175 CD GLN A 10 12.512 -14.640 6.065 1.00 0.00 C ATOM 176 OE1 GLN A 10 13.454 -14.535 6.834 1.00 0.00 O ATOM 177 NE2 GLN A 10 11.574 -15.577 6.161 1.00 0.00 N ATOM 0 H GLN A 10 12.284 -12.949 7.739 1.00 0.00 H new ATOM 0 HA GLN A 10 11.069 -10.817 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.349 -11.561 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.314 -12.040 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.355 -13.876 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.085 -13.856 4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.812 -15.608 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.616 -16.265 6.913 1.00 0.00 H new ATOM 186 N PRO A 11 9.051 -11.696 5.151 1.00 0.00 N ATOM 187 CA PRO A 11 7.783 -12.171 4.623 1.00 0.00 C ATOM 188 C PRO A 11 7.992 -12.974 3.337 1.00 0.00 C ATOM 189 O PRO A 11 9.096 -13.443 3.066 1.00 0.00 O ATOM 190 CB PRO A 11 6.951 -10.917 4.411 1.00 0.00 C ATOM 191 CG PRO A 11 7.938 -9.761 4.388 1.00 0.00 C ATOM 192 CD PRO A 11 9.266 -10.270 4.925 1.00 0.00 C ATOM 0 HA PRO A 11 7.276 -12.859 5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.392 -10.972 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.222 -10.792 5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.057 -9.381 3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.572 -8.934 4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.073 -10.099 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.542 -9.760 5.848 1.00 0.00 H new ATOM 200 N ARG A 12 6.913 -13.108 2.580 1.00 0.00 N ATOM 201 CA ARG A 12 6.963 -13.846 1.329 1.00 0.00 C ATOM 202 C ARG A 12 6.238 -13.073 0.227 1.00 0.00 C ATOM 203 O ARG A 12 6.868 -12.579 -0.708 1.00 0.00 O ATOM 204 CB ARG A 12 6.323 -15.228 1.479 1.00 0.00 C ATOM 205 CG ARG A 12 7.333 -16.245 2.014 1.00 0.00 C ATOM 206 CD ARG A 12 6.801 -17.673 1.872 1.00 0.00 C ATOM 207 NE ARG A 12 7.472 -18.562 2.846 1.00 0.00 N ATOM 208 CZ ARG A 12 8.683 -19.104 2.659 1.00 0.00 C ATOM 209 NH1 ARG A 12 9.364 -18.851 1.533 1.00 0.00 N ATOM 210 NH2 ARG A 12 9.213 -19.899 3.599 1.00 0.00 N ATOM 0 H ARG A 12 5.999 -12.718 2.809 1.00 0.00 H new ATOM 0 HA ARG A 12 8.012 -13.971 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.471 -15.166 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.941 -15.562 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.274 -16.148 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.546 -16.035 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.724 -17.687 2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.973 -18.035 0.858 1.00 0.00 H new ATOM 0 HE ARG A 12 6.982 -18.776 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.960 -18.246 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.286 -19.264 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.694 -20.091 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.135 -20.312 3.457 1.00 0.00 H new ATOM 224 N THR A 13 4.923 -12.991 0.372 1.00 0.00 N ATOM 225 CA THR A 13 4.106 -12.286 -0.600 1.00 0.00 C ATOM 226 C THR A 13 3.968 -10.812 -0.213 1.00 0.00 C ATOM 227 O THR A 13 3.437 -10.493 0.850 1.00 0.00 O ATOM 228 CB THR A 13 2.764 -13.014 -0.707 1.00 0.00 C ATOM 229 OG1 THR A 13 3.113 -14.322 -1.150 1.00 0.00 O ATOM 230 CG2 THR A 13 1.886 -12.462 -1.832 1.00 0.00 C ATOM 0 H THR A 13 4.404 -13.401 1.148 1.00 0.00 H new ATOM 0 HA THR A 13 4.573 -12.289 -1.585 1.00 0.00 H new ATOM 0 HB THR A 13 2.232 -12.935 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.301 -14.863 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.946 -13.013 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.682 -11.407 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.404 -12.572 -2.785 1.00 0.00 H new ATOM 238 N ILE A 14 4.455 -9.953 -1.096 1.00 0.00 N ATOM 239 CA ILE A 14 4.394 -8.521 -0.860 1.00 0.00 C ATOM 240 C ILE A 14 3.194 -7.936 -1.609 1.00 0.00 C ATOM 241 O ILE A 14 3.190 -7.887 -2.838 1.00 0.00 O ATOM 242 CB ILE A 14 5.726 -7.860 -1.220 1.00 0.00 C ATOM 243 CG1 ILE A 14 6.904 -8.763 -0.848 1.00 0.00 C ATOM 244 CG2 ILE A 14 5.841 -6.474 -0.582 1.00 0.00 C ATOM 245 CD1 ILE A 14 6.946 -9.014 0.661 1.00 0.00 C ATOM 0 H ILE A 14 4.894 -10.222 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 14 4.240 -8.316 0.199 1.00 0.00 H new ATOM 0 HB ILE A 14 5.757 -7.720 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.820 -9.713 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.837 -8.301 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.797 -6.026 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.029 -5.841 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.779 -6.566 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.792 -9.658 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.054 -8.064 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.021 -9.498 0.975 1.00 0.00 H new ATOM 257 N SER A 15 2.207 -7.507 -0.837 1.00 0.00 N ATOM 258 CA SER A 15 1.005 -6.927 -1.412 1.00 0.00 C ATOM 259 C SER A 15 1.067 -5.401 -1.326 1.00 0.00 C ATOM 260 O SER A 15 0.853 -4.827 -0.259 1.00 0.00 O ATOM 261 CB SER A 15 -0.249 -7.448 -0.707 1.00 0.00 C ATOM 262 OG SER A 15 -0.878 -8.496 -1.440 1.00 0.00 O ATOM 0 H SER A 15 2.215 -7.549 0.182 1.00 0.00 H new ATOM 0 HA SER A 15 0.950 -7.223 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.017 -7.810 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.954 -6.628 -0.569 1.00 0.00 H new ATOM 0 HG SER A 15 -1.673 -8.802 -0.956 1.00 0.00 H new ATOM 268 N LEU A 16 1.360 -4.788 -2.463 1.00 0.00 N ATOM 269 CA LEU A 16 1.453 -3.339 -2.529 1.00 0.00 C ATOM 270 C LEU A 16 0.360 -2.804 -3.457 1.00 0.00 C ATOM 271 O LEU A 16 -0.007 -3.459 -4.431 1.00 0.00 O ATOM 272 CB LEU A 16 2.866 -2.911 -2.932 1.00 0.00 C ATOM 273 CG LEU A 16 3.861 -2.718 -1.786 1.00 0.00 C ATOM 274 CD1 LEU A 16 5.072 -3.638 -1.951 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.271 -1.250 -1.657 1.00 0.00 C ATOM 0 H LEU A 16 1.536 -5.268 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 16 1.280 -2.901 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.270 -3.658 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.796 -1.976 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 16 3.368 -2.998 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.764 -3.481 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.742 -4.677 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.575 -3.413 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.979 -1.141 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.739 -0.920 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.388 -0.642 -1.459 1.00 0.00 H new ATOM 287 N PHE A 17 -0.129 -1.620 -3.120 1.00 0.00 N ATOM 288 CA PHE A 17 -1.173 -0.990 -3.911 1.00 0.00 C ATOM 289 C PHE A 17 -0.740 0.400 -4.383 1.00 0.00 C ATOM 290 O PHE A 17 0.051 1.067 -3.717 1.00 0.00 O ATOM 291 CB PHE A 17 -2.397 -0.849 -3.004 1.00 0.00 C ATOM 292 CG PHE A 17 -2.995 -2.183 -2.553 1.00 0.00 C ATOM 293 CD1 PHE A 17 -2.530 -2.792 -1.430 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.992 -2.761 -3.276 1.00 0.00 C ATOM 295 CE1 PHE A 17 -3.085 -4.030 -1.011 1.00 0.00 C ATOM 296 CE2 PHE A 17 -4.546 -3.999 -2.858 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.081 -4.608 -1.735 1.00 0.00 C ATOM 0 H PHE A 17 0.178 -1.080 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.387 -1.593 -4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.119 -0.271 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.163 -0.279 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.738 -2.334 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.362 -2.278 -4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.716 -4.513 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.337 -4.458 -3.432 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.502 -5.550 -1.418 1.00 0.00 H new ATOM 307 N THR A 18 -1.277 0.794 -5.528 1.00 0.00 N ATOM 308 CA THR A 18 -0.956 2.092 -6.097 1.00 0.00 C ATOM 309 C THR A 18 -2.058 3.103 -5.774 1.00 0.00 C ATOM 310 O THR A 18 -3.242 2.772 -5.817 1.00 0.00 O ATOM 311 CB THR A 18 -0.723 1.906 -7.597 1.00 0.00 C ATOM 312 OG1 THR A 18 0.664 1.591 -7.696 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.864 3.214 -8.379 1.00 0.00 C ATOM 0 H THR A 18 -1.932 0.238 -6.077 1.00 0.00 H new ATOM 0 HA THR A 18 -0.045 2.501 -5.660 1.00 0.00 H new ATOM 0 HB THR A 18 -1.430 1.173 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.773 0.737 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.689 3.025 -9.438 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.869 3.613 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.134 3.937 -8.014 1.00 0.00 H new ATOM 321 N ASN A 19 -1.630 4.317 -5.458 1.00 0.00 N ATOM 322 CA ASN A 19 -2.565 5.378 -5.129 1.00 0.00 C ATOM 323 C ASN A 19 -2.025 6.710 -5.655 1.00 0.00 C ATOM 324 O ASN A 19 -1.717 7.610 -4.876 1.00 0.00 O ATOM 325 CB ASN A 19 -2.743 5.506 -3.614 1.00 0.00 C ATOM 326 CG ASN A 19 -3.778 6.579 -3.272 1.00 0.00 C ATOM 327 OD1 ASN A 19 -3.568 7.433 -2.426 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.903 6.489 -3.974 1.00 0.00 N ATOM 0 H ASN A 19 -0.647 4.589 -5.423 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.524 5.135 -5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.056 4.548 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.788 5.756 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.656 7.160 -3.819 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.014 5.749 -4.667 1.00 0.00 H new ATOM 335 N ASP A 20 -1.927 6.792 -6.974 1.00 0.00 N ATOM 336 CA ASP A 20 -1.430 7.999 -7.613 1.00 0.00 C ATOM 337 C ASP A 20 -0.048 8.337 -7.050 1.00 0.00 C ATOM 338 O ASP A 20 0.322 7.861 -5.978 1.00 0.00 O ATOM 339 CB ASP A 20 -2.355 9.187 -7.342 1.00 0.00 C ATOM 340 CG ASP A 20 -2.110 10.412 -8.226 1.00 0.00 C ATOM 341 OD1 ASP A 20 -0.960 10.903 -8.210 1.00 0.00 O ATOM 342 OD2 ASP A 20 -3.078 10.829 -8.897 1.00 0.00 O ATOM 0 H ASP A 20 -2.183 6.043 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.383 7.817 -8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.387 8.862 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.246 9.483 -6.299 1.00 0.00 H new ATOM 347 N ILE A 21 0.676 9.156 -7.798 1.00 0.00 N ATOM 348 CA ILE A 21 2.009 9.563 -7.387 1.00 0.00 C ATOM 349 C ILE A 21 2.577 10.545 -8.413 1.00 0.00 C ATOM 350 O ILE A 21 2.373 11.753 -8.301 1.00 0.00 O ATOM 351 CB ILE A 21 2.895 8.338 -7.152 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.177 7.053 -7.571 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.375 8.278 -5.700 1.00 0.00 C ATOM 354 CD1 ILE A 21 3.120 6.123 -8.337 1.00 0.00 C ATOM 0 H ILE A 21 0.365 9.549 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 21 1.970 10.087 -6.432 1.00 0.00 H new ATOM 0 HB ILE A 21 3.781 8.432 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.794 6.542 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.317 7.299 -8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.003 7.398 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.951 9.174 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.514 8.219 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.585 5.217 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.482 6.629 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.966 5.859 -7.702 1.00 0.00 H new ATOM 366 N ALA A 22 3.280 9.990 -9.390 1.00 0.00 N ATOM 367 CA ALA A 22 3.879 10.802 -10.436 1.00 0.00 C ATOM 368 C ALA A 22 3.680 10.113 -11.787 1.00 0.00 C ATOM 369 O ALA A 22 2.615 9.557 -12.054 1.00 0.00 O ATOM 370 CB ALA A 22 5.356 11.040 -10.114 1.00 0.00 C ATOM 0 H ALA A 22 3.448 8.988 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 22 3.396 11.778 -10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.806 11.649 -10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.441 11.558 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.874 10.083 -10.056 1.00 0.00 H new ATOM 376 N SER A 23 4.721 10.172 -12.604 1.00 0.00 N ATOM 377 CA SER A 23 4.674 9.561 -13.922 1.00 0.00 C ATOM 378 C SER A 23 3.768 8.328 -13.895 1.00 0.00 C ATOM 379 O SER A 23 2.559 8.437 -14.092 1.00 0.00 O ATOM 380 CB SER A 23 6.075 9.180 -14.403 1.00 0.00 C ATOM 381 OG SER A 23 6.768 10.291 -14.963 1.00 0.00 O ATOM 0 H SER A 23 5.602 10.634 -12.379 1.00 0.00 H new ATOM 0 HA SER A 23 4.265 10.289 -14.622 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.648 8.779 -13.567 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.000 8.387 -15.147 1.00 0.00 H new ATOM 0 HG SER A 23 7.659 10.007 -15.256 1.00 0.00 H new ATOM 387 N ASN A 24 4.388 7.183 -13.649 1.00 0.00 N ATOM 388 CA ASN A 24 3.653 5.931 -13.593 1.00 0.00 C ATOM 389 C ASN A 24 3.026 5.774 -12.206 1.00 0.00 C ATOM 390 O ASN A 24 3.708 5.407 -11.251 1.00 0.00 O ATOM 391 CB ASN A 24 4.580 4.737 -13.831 1.00 0.00 C ATOM 392 CG ASN A 24 5.254 4.830 -15.201 1.00 0.00 C ATOM 393 OD1 ASN A 24 6.466 4.789 -15.330 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.402 4.957 -16.215 1.00 0.00 N ATOM 0 H ASN A 24 5.391 7.096 -13.486 1.00 0.00 H new ATOM 0 HA ASN A 24 2.888 5.954 -14.369 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.339 4.701 -13.050 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.010 3.810 -13.765 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.753 5.027 -17.170 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.398 4.985 -16.037 1.00 0.00 H new ATOM 401 N ILE A 25 1.734 6.060 -12.141 1.00 0.00 N ATOM 402 CA ILE A 25 1.007 5.955 -10.887 1.00 0.00 C ATOM 403 C ILE A 25 1.329 4.612 -10.227 1.00 0.00 C ATOM 404 O ILE A 25 1.412 4.523 -9.003 1.00 0.00 O ATOM 405 CB ILE A 25 -0.488 6.186 -11.114 1.00 0.00 C ATOM 406 CG1 ILE A 25 -0.766 7.640 -11.500 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.301 5.752 -9.892 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.012 8.605 -10.582 1.00 0.00 C ATOM 0 H ILE A 25 1.172 6.364 -12.936 1.00 0.00 H new ATOM 0 HA ILE A 25 1.325 6.735 -10.195 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.807 5.564 -11.951 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.468 7.809 -12.535 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.836 7.837 -11.441 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.361 5.927 -10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.136 4.691 -9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.986 6.329 -9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.227 9.632 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.331 8.450 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.059 8.421 -10.662 1.00 0.00 H new ATOM 420 N LYS A 26 1.501 3.602 -11.067 1.00 0.00 N ATOM 421 CA LYS A 26 1.811 2.269 -10.580 1.00 0.00 C ATOM 422 C LYS A 26 3.313 2.167 -10.309 1.00 0.00 C ATOM 423 O LYS A 26 3.727 1.878 -9.186 1.00 0.00 O ATOM 424 CB LYS A 26 1.288 1.209 -11.552 1.00 0.00 C ATOM 425 CG LYS A 26 1.906 1.386 -12.941 1.00 0.00 C ATOM 426 CD LYS A 26 0.950 0.898 -14.032 1.00 0.00 C ATOM 427 CE LYS A 26 0.237 2.074 -14.702 1.00 0.00 C ATOM 428 NZ LYS A 26 0.845 2.366 -16.019 1.00 0.00 N ATOM 0 H LYS A 26 1.432 3.680 -12.082 1.00 0.00 H new ATOM 0 HA LYS A 26 1.302 2.080 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.520 0.215 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.202 1.278 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.145 2.437 -13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.843 0.833 -12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.505 0.331 -14.779 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.214 0.221 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.821 1.843 -14.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.297 2.955 -14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.349 3.167 -16.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.849 2.607 -15.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.765 1.529 -16.631 1.00 0.00 H new ATOM 442 N SER A 27 4.089 2.409 -11.355 1.00 0.00 N ATOM 443 CA SER A 27 5.537 2.348 -11.243 1.00 0.00 C ATOM 444 C SER A 27 6.019 3.317 -10.162 1.00 0.00 C ATOM 445 O SER A 27 6.529 2.893 -9.126 1.00 0.00 O ATOM 446 CB SER A 27 6.207 2.669 -12.581 1.00 0.00 C ATOM 447 OG SER A 27 6.992 3.856 -12.513 1.00 0.00 O ATOM 0 H SER A 27 3.743 2.648 -12.284 1.00 0.00 H new ATOM 0 HA SER A 27 5.816 1.332 -10.962 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.839 1.833 -12.880 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.444 2.783 -13.351 1.00 0.00 H new ATOM 0 HG SER A 27 7.069 4.249 -13.408 1.00 0.00 H new ATOM 453 N GLN A 28 5.842 4.600 -10.440 1.00 0.00 N ATOM 454 CA GLN A 28 6.253 5.633 -9.504 1.00 0.00 C ATOM 455 C GLN A 28 5.931 5.208 -8.070 1.00 0.00 C ATOM 456 O GLN A 28 6.647 5.568 -7.137 1.00 0.00 O ATOM 457 CB GLN A 28 5.593 6.972 -9.841 1.00 0.00 C ATOM 458 CG GLN A 28 5.846 8.001 -8.737 1.00 0.00 C ATOM 459 CD GLN A 28 7.331 8.362 -8.653 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.890 9.004 -9.527 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.935 7.914 -7.556 1.00 0.00 N ATOM 0 H GLN A 28 5.419 4.948 -11.301 1.00 0.00 H new ATOM 0 HA GLN A 28 7.332 5.766 -9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.983 7.346 -10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.520 6.830 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.260 8.899 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.510 7.602 -7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.407 7.382 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.926 8.102 -7.407 1.00 0.00 H new ATOM 470 N LYS A 29 4.853 4.449 -7.940 1.00 0.00 N ATOM 471 CA LYS A 29 4.427 3.972 -6.635 1.00 0.00 C ATOM 472 C LYS A 29 5.583 3.224 -5.968 1.00 0.00 C ATOM 473 O LYS A 29 6.308 3.794 -5.154 1.00 0.00 O ATOM 474 CB LYS A 29 3.148 3.141 -6.759 1.00 0.00 C ATOM 475 CG LYS A 29 3.021 2.153 -5.598 1.00 0.00 C ATOM 476 CD LYS A 29 2.916 0.715 -6.111 1.00 0.00 C ATOM 477 CE LYS A 29 2.612 -0.254 -4.966 1.00 0.00 C ATOM 478 NZ LYS A 29 1.674 -1.307 -5.415 1.00 0.00 N ATOM 0 H LYS A 29 4.262 4.153 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 29 4.173 4.811 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.281 3.802 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.153 2.598 -7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.885 2.246 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.140 2.396 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.132 0.650 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.849 0.429 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.537 -0.709 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.182 0.290 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.789 -1.238 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.470 -1.182 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.103 -2.242 -5.262 1.00 0.00 H new ATOM 492 N CYS A 30 5.720 1.959 -6.339 1.00 0.00 N ATOM 493 CA CYS A 30 6.776 1.128 -5.787 1.00 0.00 C ATOM 494 C CYS A 30 7.979 1.191 -6.729 1.00 0.00 C ATOM 495 O CYS A 30 9.091 1.501 -6.303 1.00 0.00 O ATOM 496 CB CYS A 30 6.303 -0.310 -5.560 1.00 0.00 C ATOM 497 SG CYS A 30 6.990 -0.954 -3.990 1.00 0.00 S ATOM 0 H CYS A 30 5.117 1.490 -7.015 1.00 0.00 H new ATOM 0 HA CYS A 30 7.064 1.506 -4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.214 -0.343 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.619 -0.941 -6.391 1.00 0.00 H new ATOM 0 HG CYS A 30 7.355 0.040 -3.236 1.00 0.00 H new ATOM 503 N LEU A 31 7.717 0.892 -7.993 1.00 0.00 N ATOM 504 CA LEU A 31 8.765 0.910 -8.999 1.00 0.00 C ATOM 505 C LEU A 31 9.775 2.007 -8.657 1.00 0.00 C ATOM 506 O LEU A 31 10.983 1.799 -8.763 1.00 0.00 O ATOM 507 CB LEU A 31 8.161 1.045 -10.399 1.00 0.00 C ATOM 508 CG LEU A 31 7.527 -0.220 -10.980 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.600 -1.219 -11.419 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.536 -0.840 -9.993 1.00 0.00 C ATOM 0 H LEU A 31 6.794 0.636 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 31 9.308 -0.035 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.403 1.828 -10.372 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.943 1.381 -11.080 1.00 0.00 H new ATOM 0 HG LEU A 31 6.963 0.059 -11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.123 -2.109 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.232 -0.763 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.211 -1.497 -10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.100 -1.738 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.056 -1.102 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.745 -0.123 -9.772 1.00 0.00 H new ATOM 522 N GLN A 32 9.244 3.152 -8.254 1.00 0.00 N ATOM 523 CA GLN A 32 10.084 4.282 -7.896 1.00 0.00 C ATOM 524 C GLN A 32 10.599 4.127 -6.463 1.00 0.00 C ATOM 525 O GLN A 32 11.694 4.587 -6.141 1.00 0.00 O ATOM 526 CB GLN A 32 9.329 5.602 -8.067 1.00 0.00 C ATOM 527 CG GLN A 32 9.540 6.176 -9.470 1.00 0.00 C ATOM 528 CD GLN A 32 11.016 6.498 -9.714 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.730 5.781 -10.395 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.431 7.615 -9.123 1.00 0.00 N ATOM 0 H GLN A 32 8.242 3.321 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 32 10.941 4.301 -8.570 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.265 5.442 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.671 6.320 -7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.192 5.461 -10.216 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.942 7.079 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.781 8.169 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.400 7.917 -9.227 1.00 0.00 H new ATOM 539 N LEU A 33 9.786 3.478 -5.643 1.00 0.00 N ATOM 540 CA LEU A 33 10.147 3.257 -4.253 1.00 0.00 C ATOM 541 C LEU A 33 11.293 2.246 -4.182 1.00 0.00 C ATOM 542 O LEU A 33 12.310 2.499 -3.538 1.00 0.00 O ATOM 543 CB LEU A 33 8.917 2.850 -3.439 1.00 0.00 C ATOM 544 CG LEU A 33 9.075 2.894 -1.917 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.304 1.751 -1.253 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.552 2.897 -1.519 1.00 0.00 C ATOM 0 H LEU A 33 8.879 3.098 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 33 10.509 4.181 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.089 3.502 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.635 1.837 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 33 8.643 3.827 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.433 1.805 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.245 1.836 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.684 0.796 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.636 2.929 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.032 1.993 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.042 3.772 -1.946 1.00 0.00 H new ATOM 558 N LEU A 34 11.090 1.122 -4.854 1.00 0.00 N ATOM 559 CA LEU A 34 12.095 0.072 -4.875 1.00 0.00 C ATOM 560 C LEU A 34 13.215 0.463 -5.841 1.00 0.00 C ATOM 561 O LEU A 34 14.258 -0.187 -5.883 1.00 0.00 O ATOM 562 CB LEU A 34 11.451 -1.279 -5.195 1.00 0.00 C ATOM 563 CG LEU A 34 9.930 -1.273 -5.367 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.545 -1.087 -6.836 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.306 -2.533 -4.765 1.00 0.00 C ATOM 0 H LEU A 34 10.245 0.916 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 34 12.548 -0.041 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.899 -1.665 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.704 -1.978 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 34 9.527 -0.421 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.459 -1.086 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.941 -0.139 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.960 -1.903 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.225 -2.504 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.711 -3.414 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.537 -2.581 -3.701 1.00 0.00 H new ATOM 577 N LYS A 35 12.961 1.524 -6.593 1.00 0.00 N ATOM 578 CA LYS A 35 13.935 2.009 -7.556 1.00 0.00 C ATOM 579 C LYS A 35 15.290 2.174 -6.865 1.00 0.00 C ATOM 580 O LYS A 35 16.317 2.308 -7.528 1.00 0.00 O ATOM 581 CB LYS A 35 13.430 3.285 -8.232 1.00 0.00 C ATOM 582 CG LYS A 35 13.948 4.531 -7.510 1.00 0.00 C ATOM 583 CD LYS A 35 15.197 5.084 -8.198 1.00 0.00 C ATOM 584 CE LYS A 35 15.496 6.509 -7.729 1.00 0.00 C ATOM 585 NZ LYS A 35 15.750 7.394 -8.888 1.00 0.00 N ATOM 0 H LYS A 35 12.095 2.061 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 35 14.072 1.284 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.754 3.302 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.340 3.291 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.170 5.295 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.178 4.286 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.050 4.440 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.055 5.075 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.656 6.891 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.363 6.506 -7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.951 8.357 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.566 7.037 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.911 7.410 -9.503 1.00 0.00 H new ATOM 599 N GLY A 36 15.248 2.160 -5.541 1.00 0.00 N ATOM 600 CA GLY A 36 16.460 2.306 -4.752 1.00 0.00 C ATOM 601 C GLY A 36 17.365 1.082 -4.906 1.00 0.00 C ATOM 602 O GLY A 36 18.361 1.129 -5.627 1.00 0.00 O ATOM 0 H GLY A 36 14.394 2.050 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.997 3.201 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.201 2.441 -3.702 1.00 0.00 H new ATOM 606 N ASP A 37 16.988 0.016 -4.216 1.00 0.00 N ATOM 607 CA ASP A 37 17.753 -1.218 -4.267 1.00 0.00 C ATOM 608 C ASP A 37 16.864 -2.343 -4.800 1.00 0.00 C ATOM 609 O ASP A 37 15.666 -2.150 -5.001 1.00 0.00 O ATOM 610 CB ASP A 37 18.242 -1.621 -2.874 1.00 0.00 C ATOM 611 CG ASP A 37 18.958 -0.516 -2.096 1.00 0.00 C ATOM 612 OD1 ASP A 37 18.858 0.648 -2.540 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.590 -0.860 -1.073 1.00 0.00 O ATOM 0 H ASP A 37 16.162 -0.019 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 37 18.612 -1.055 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.387 -1.961 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.918 -2.470 -2.974 1.00 0.00 H new ATOM 618 N VAL A 38 17.485 -3.494 -5.014 1.00 0.00 N ATOM 619 CA VAL A 38 16.764 -4.650 -5.519 1.00 0.00 C ATOM 620 C VAL A 38 17.727 -5.833 -5.638 1.00 0.00 C ATOM 621 O VAL A 38 18.940 -5.646 -5.711 1.00 0.00 O ATOM 622 CB VAL A 38 16.079 -4.302 -6.842 1.00 0.00 C ATOM 623 CG1 VAL A 38 16.905 -4.792 -8.033 1.00 0.00 C ATOM 624 CG2 VAL A 38 14.658 -4.869 -6.889 1.00 0.00 C ATOM 0 H VAL A 38 18.479 -3.651 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 38 15.975 -4.941 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 38 16.009 -3.216 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.396 -4.532 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.887 -4.320 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.022 -5.874 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.193 -4.608 -7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.696 -5.954 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 38 14.072 -4.450 -6.071 1.00 0.00 H new ATOM 634 N SER A 39 17.149 -7.026 -5.654 1.00 0.00 N ATOM 635 CA SER A 39 17.941 -8.239 -5.762 1.00 0.00 C ATOM 636 C SER A 39 17.242 -9.387 -5.031 1.00 0.00 C ATOM 637 O SER A 39 16.292 -9.164 -4.282 1.00 0.00 O ATOM 638 CB SER A 39 19.348 -8.031 -5.199 1.00 0.00 C ATOM 639 OG SER A 39 19.952 -9.259 -4.802 1.00 0.00 O ATOM 0 H SER A 39 16.142 -7.178 -5.594 1.00 0.00 H new ATOM 0 HA SER A 39 18.035 -8.492 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.971 -7.547 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.300 -7.358 -4.343 1.00 0.00 H new ATOM 0 HG SER A 39 20.850 -9.083 -4.450 1.00 0.00 H new ATOM 645 N HIS A 40 17.738 -10.591 -5.275 1.00 0.00 N ATOM 646 CA HIS A 40 17.173 -11.775 -4.650 1.00 0.00 C ATOM 647 C HIS A 40 16.761 -11.448 -3.213 1.00 0.00 C ATOM 648 O HIS A 40 17.612 -11.318 -2.334 1.00 0.00 O ATOM 649 CB HIS A 40 18.146 -12.952 -4.735 1.00 0.00 C ATOM 650 CG HIS A 40 18.805 -13.107 -6.085 1.00 0.00 C ATOM 651 ND1 HIS A 40 20.178 -13.069 -6.257 1.00 0.00 N ATOM 652 CD2 HIS A 40 18.267 -13.300 -7.323 1.00 0.00 C ATOM 653 CE1 HIS A 40 20.442 -13.233 -7.545 1.00 0.00 C ATOM 654 NE2 HIS A 40 19.257 -13.376 -8.204 1.00 0.00 N ATOM 0 H HIS A 40 18.526 -10.772 -5.897 1.00 0.00 H new ATOM 0 HA HIS A 40 16.276 -12.082 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.919 -12.827 -3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.611 -13.871 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 40 17.214 -13.378 -7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 40 21.424 -13.250 -7.994 1.00 0.00 H new ATOM 0 HE2 HIS A 40 19.149 -13.518 -9.208 1.00 0.00 H new ATOM 662 N ARG A 41 15.457 -11.327 -3.018 1.00 0.00 N ATOM 663 CA ARG A 41 14.922 -11.018 -1.702 1.00 0.00 C ATOM 664 C ARG A 41 13.459 -11.455 -1.608 1.00 0.00 C ATOM 665 O ARG A 41 13.126 -12.362 -0.847 1.00 0.00 O ATOM 666 CB ARG A 41 15.020 -9.521 -1.405 1.00 0.00 C ATOM 667 CG ARG A 41 16.192 -9.224 -0.466 1.00 0.00 C ATOM 668 CD ARG A 41 16.140 -10.118 0.774 1.00 0.00 C ATOM 669 NE ARG A 41 17.086 -11.246 0.624 1.00 0.00 N ATOM 670 CZ ARG A 41 17.017 -12.383 1.330 1.00 0.00 C ATOM 671 NH1 ARG A 41 16.046 -12.550 2.239 1.00 0.00 N ATOM 672 NH2 ARG A 41 17.918 -13.354 1.128 1.00 0.00 N ATOM 0 H ARG A 41 14.754 -11.437 -3.749 1.00 0.00 H new ATOM 0 HA ARG A 41 15.515 -11.562 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.147 -8.969 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.090 -9.175 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.133 -9.381 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.165 -8.177 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.391 -9.538 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.128 -10.498 0.917 1.00 0.00 H new ATOM 0 HE ARG A 41 17.837 -11.152 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.359 -11.812 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.994 -13.415 2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.657 -13.228 0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.865 -14.219 1.666 1.00 0.00 H new ATOM 686 N PHE A 42 12.624 -10.789 -2.392 1.00 0.00 N ATOM 687 CA PHE A 42 11.204 -11.097 -2.407 1.00 0.00 C ATOM 688 C PHE A 42 10.534 -10.533 -3.662 1.00 0.00 C ATOM 689 O PHE A 42 11.136 -9.749 -4.393 1.00 0.00 O ATOM 690 CB PHE A 42 10.590 -10.434 -1.173 1.00 0.00 C ATOM 691 CG PHE A 42 10.684 -8.907 -1.176 1.00 0.00 C ATOM 692 CD1 PHE A 42 11.556 -8.280 -2.011 1.00 0.00 C ATOM 693 CD2 PHE A 42 9.896 -8.175 -0.343 1.00 0.00 C ATOM 694 CE1 PHE A 42 11.643 -6.863 -2.014 1.00 0.00 C ATOM 695 CE2 PHE A 42 9.983 -6.758 -0.345 1.00 0.00 C ATOM 696 CZ PHE A 42 10.855 -6.132 -1.181 1.00 0.00 C ATOM 0 H PHE A 42 12.904 -10.037 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 42 11.057 -12.177 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.541 -10.723 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.088 -10.817 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.182 -8.861 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.204 -8.672 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.335 -6.366 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.357 -6.177 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.921 -5.054 -1.183 1.00 0.00 H new ATOM 706 N ASP A 43 9.296 -10.956 -3.873 1.00 0.00 N ATOM 707 CA ASP A 43 8.537 -10.503 -5.026 1.00 0.00 C ATOM 708 C ASP A 43 7.608 -9.362 -4.605 1.00 0.00 C ATOM 709 O ASP A 43 6.740 -9.546 -3.753 1.00 0.00 O ATOM 710 CB ASP A 43 7.673 -11.630 -5.594 1.00 0.00 C ATOM 711 CG ASP A 43 8.277 -12.367 -6.792 1.00 0.00 C ATOM 712 OD1 ASP A 43 9.318 -11.886 -7.288 1.00 0.00 O ATOM 713 OD2 ASP A 43 7.683 -13.394 -7.184 1.00 0.00 O ATOM 0 H ASP A 43 8.800 -11.608 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 43 9.245 -10.173 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.479 -12.353 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.710 -11.215 -5.890 1.00 0.00 H new ATOM 718 N VAL A 44 7.823 -8.209 -5.220 1.00 0.00 N ATOM 719 CA VAL A 44 7.016 -7.039 -4.920 1.00 0.00 C ATOM 720 C VAL A 44 5.856 -6.955 -5.913 1.00 0.00 C ATOM 721 O VAL A 44 6.068 -6.982 -7.125 1.00 0.00 O ATOM 722 CB VAL A 44 7.893 -5.785 -4.918 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.137 -4.588 -4.338 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.199 -6.029 -4.159 1.00 0.00 C ATOM 0 H VAL A 44 8.545 -8.060 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 44 6.584 -7.120 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 44 8.146 -5.552 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.783 -3.710 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.249 -4.392 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.839 -4.808 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.803 -5.122 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.975 -6.300 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.751 -6.840 -4.635 1.00 0.00 H new ATOM 734 N GLU A 45 4.654 -6.856 -5.364 1.00 0.00 N ATOM 735 CA GLU A 45 3.460 -6.769 -6.187 1.00 0.00 C ATOM 736 C GLU A 45 2.977 -5.320 -6.270 1.00 0.00 C ATOM 737 O GLU A 45 2.569 -4.740 -5.265 1.00 0.00 O ATOM 738 CB GLU A 45 2.357 -7.685 -5.652 1.00 0.00 C ATOM 739 CG GLU A 45 2.170 -8.904 -6.558 1.00 0.00 C ATOM 740 CD GLU A 45 2.230 -10.202 -5.750 1.00 0.00 C ATOM 741 OE1 GLU A 45 3.292 -10.438 -5.134 1.00 0.00 O ATOM 742 OE2 GLU A 45 1.213 -10.928 -5.766 1.00 0.00 O ATOM 0 H GLU A 45 4.482 -6.834 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 45 3.711 -7.106 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.608 -8.012 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.421 -7.131 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.211 -8.836 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.944 -8.913 -7.326 1.00 0.00 H new ATOM 749 N ILE A 46 3.039 -4.777 -7.476 1.00 0.00 N ATOM 750 CA ILE A 46 2.613 -3.406 -7.703 1.00 0.00 C ATOM 751 C ILE A 46 1.306 -3.408 -8.499 1.00 0.00 C ATOM 752 O ILE A 46 1.307 -3.665 -9.702 1.00 0.00 O ATOM 753 CB ILE A 46 3.733 -2.599 -8.362 1.00 0.00 C ATOM 754 CG1 ILE A 46 4.962 -2.523 -7.454 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.239 -1.211 -8.775 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.560 -3.912 -7.224 1.00 0.00 C ATOM 0 H ILE A 46 3.378 -5.261 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 46 2.409 -2.909 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 46 4.037 -3.117 -9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.711 -1.871 -7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.685 -2.079 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.055 -0.658 -9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.418 -1.313 -9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.892 -0.671 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.432 -3.830 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.817 -4.555 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.858 -4.343 -8.180 1.00 0.00 H new ATOM 768 N ALA A 47 0.221 -3.118 -7.795 1.00 0.00 N ATOM 769 CA ALA A 47 -1.090 -3.083 -8.420 1.00 0.00 C ATOM 770 C ALA A 47 -1.892 -1.914 -7.847 1.00 0.00 C ATOM 771 O ALA A 47 -1.883 -1.682 -6.639 1.00 0.00 O ATOM 772 CB ALA A 47 -1.790 -4.428 -8.213 1.00 0.00 C ATOM 0 H ALA A 47 0.224 -2.905 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.999 -2.925 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.774 -4.402 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.194 -5.222 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.902 -4.620 -7.146 1.00 0.00 H new ATOM 778 N ASN A 48 -2.568 -1.207 -8.741 1.00 0.00 N ATOM 779 CA ASN A 48 -3.375 -0.067 -8.339 1.00 0.00 C ATOM 780 C ASN A 48 -4.811 -0.529 -8.082 1.00 0.00 C ATOM 781 O ASN A 48 -5.484 -1.008 -8.993 1.00 0.00 O ATOM 782 CB ASN A 48 -3.410 0.997 -9.437 1.00 0.00 C ATOM 783 CG ASN A 48 -3.159 0.375 -10.813 1.00 0.00 C ATOM 784 OD1 ASN A 48 -3.787 -0.594 -11.208 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.209 0.983 -11.517 1.00 0.00 N ATOM 0 H ASN A 48 -2.573 -1.402 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.933 0.359 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.378 1.498 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.656 1.758 -9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.967 0.643 -12.448 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.722 1.790 -11.126 1.00 0.00 H new ATOM 792 N ARG A 49 -5.237 -0.368 -6.838 1.00 0.00 N ATOM 793 CA ARG A 49 -6.580 -0.762 -6.450 1.00 0.00 C ATOM 794 C ARG A 49 -6.920 -0.199 -5.069 1.00 0.00 C ATOM 795 O ARG A 49 -6.028 0.173 -4.309 1.00 0.00 O ATOM 796 CB ARG A 49 -6.720 -2.285 -6.421 1.00 0.00 C ATOM 797 CG ARG A 49 -7.829 -2.752 -7.367 1.00 0.00 C ATOM 798 CD ARG A 49 -7.273 -3.689 -8.442 1.00 0.00 C ATOM 799 NE ARG A 49 -8.376 -4.199 -9.287 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.196 -4.866 -10.436 1.00 0.00 C ATOM 801 NH1 ARG A 49 -6.956 -5.106 -10.883 1.00 0.00 N ATOM 802 NH2 ARG A 49 -9.255 -5.292 -11.136 1.00 0.00 N ATOM 0 H ARG A 49 -4.675 0.030 -6.085 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.271 -0.359 -7.190 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.775 -2.746 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.941 -2.614 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.605 -3.264 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.297 -1.888 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.547 -3.159 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.747 -4.521 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.333 -4.033 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.150 -4.781 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.818 -5.613 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.199 -5.109 -10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.118 -5.799 -12.010 1.00 0.00 H new ATOM 816 N PHE A 50 -8.214 -0.156 -4.785 1.00 0.00 N ATOM 817 CA PHE A 50 -8.683 0.356 -3.508 1.00 0.00 C ATOM 818 C PHE A 50 -8.386 -0.633 -2.379 1.00 0.00 C ATOM 819 O PHE A 50 -8.641 -1.829 -2.513 1.00 0.00 O ATOM 820 CB PHE A 50 -10.198 0.535 -3.627 1.00 0.00 C ATOM 821 CG PHE A 50 -10.810 1.404 -2.527 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.272 2.621 -2.244 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.892 0.960 -1.833 1.00 0.00 C ATOM 824 CE1 PHE A 50 -10.841 3.427 -1.223 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.461 1.767 -0.812 1.00 0.00 C ATOM 826 CZ PHE A 50 -11.923 2.984 -0.529 1.00 0.00 C ATOM 0 H PHE A 50 -8.952 -0.467 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.179 1.294 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.426 0.979 -4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.672 -0.446 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.413 2.974 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.319 -0.006 -2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.414 4.393 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.320 1.415 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.355 3.598 0.247 1.00 0.00 H new ATOM 836 N PRO A 51 -7.837 -0.083 -1.263 1.00 0.00 N ATOM 837 CA PRO A 51 -7.502 -0.903 -0.111 1.00 0.00 C ATOM 838 C PRO A 51 -8.760 -1.302 0.662 1.00 0.00 C ATOM 839 O PRO A 51 -8.917 -0.942 1.828 1.00 0.00 O ATOM 840 CB PRO A 51 -6.543 -0.056 0.709 1.00 0.00 C ATOM 841 CG PRO A 51 -6.738 1.374 0.233 1.00 0.00 C ATOM 842 CD PRO A 51 -7.521 1.329 -1.069 1.00 0.00 C ATOM 0 HA PRO A 51 -7.038 -1.849 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.756 -0.145 1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.513 -0.379 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.276 1.956 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.775 1.861 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.427 1.933 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.933 1.721 -1.899 1.00 0.00 H new ATOM 850 N THR A 52 -9.625 -2.040 -0.017 1.00 0.00 N ATOM 851 CA THR A 52 -10.865 -2.492 0.591 1.00 0.00 C ATOM 852 C THR A 52 -10.572 -3.354 1.821 1.00 0.00 C ATOM 853 O THR A 52 -9.796 -4.305 1.746 1.00 0.00 O ATOM 854 CB THR A 52 -11.681 -3.218 -0.480 1.00 0.00 C ATOM 855 OG1 THR A 52 -10.768 -4.164 -1.030 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.035 -2.311 -1.661 1.00 0.00 C ATOM 0 H THR A 52 -9.492 -2.337 -0.984 1.00 0.00 H new ATOM 0 HA THR A 52 -11.456 -1.652 0.955 1.00 0.00 H new ATOM 0 HB THR A 52 -12.596 -3.610 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.178 -4.499 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.614 -2.875 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.624 -1.465 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.120 -1.946 -2.127 1.00 0.00 H new ATOM 864 N TRP A 53 -11.209 -2.991 2.924 1.00 0.00 N ATOM 865 CA TRP A 53 -11.027 -3.719 4.168 1.00 0.00 C ATOM 866 C TRP A 53 -11.508 -5.155 3.949 1.00 0.00 C ATOM 867 O TRP A 53 -11.187 -6.047 4.733 1.00 0.00 O ATOM 868 CB TRP A 53 -11.743 -3.018 5.324 1.00 0.00 C ATOM 869 CG TRP A 53 -11.467 -1.516 5.407 1.00 0.00 C ATOM 870 CD1 TRP A 53 -10.579 -0.882 6.185 1.00 0.00 C ATOM 871 CD2 TRP A 53 -12.123 -0.478 4.649 1.00 0.00 C ATOM 872 NE1 TRP A 53 -10.615 0.483 5.985 1.00 0.00 N ATOM 873 CE2 TRP A 53 -11.584 0.737 5.022 1.00 0.00 C ATOM 874 CE3 TRP A 53 -13.140 -0.562 3.681 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -11.996 1.958 4.476 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -13.541 0.668 3.146 1.00 0.00 C ATOM 877 CH2 TRP A 53 -13.008 1.899 3.510 1.00 0.00 C ATOM 0 H TRP A 53 -11.852 -2.202 2.982 1.00 0.00 H new ATOM 0 HA TRP A 53 -9.975 -3.743 4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -12.817 -3.175 5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -11.441 -3.485 6.262 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.918 -1.377 6.881 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.037 1.178 6.457 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -13.577 -1.501 3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -11.557 2.896 4.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -14.320 0.660 2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -13.373 2.806 3.050 1.00 0.00 H new ATOM 888 N ASP A 54 -12.270 -5.334 2.880 1.00 0.00 N ATOM 889 CA ASP A 54 -12.799 -6.646 2.549 1.00 0.00 C ATOM 890 C ASP A 54 -11.673 -7.679 2.627 1.00 0.00 C ATOM 891 O ASP A 54 -11.779 -8.664 3.357 1.00 0.00 O ATOM 892 CB ASP A 54 -13.364 -6.670 1.128 1.00 0.00 C ATOM 893 CG ASP A 54 -14.762 -7.277 0.997 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.304 -7.684 2.048 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.257 -7.321 -0.150 1.00 0.00 O ATOM 0 H ASP A 54 -12.534 -4.592 2.232 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.595 -6.877 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.391 -5.649 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.680 -7.231 0.491 1.00 0.00 H new ATOM 900 N GLN A 55 -10.621 -7.419 1.865 1.00 0.00 N ATOM 901 CA GLN A 55 -9.476 -8.314 1.839 1.00 0.00 C ATOM 902 C GLN A 55 -8.526 -7.995 2.995 1.00 0.00 C ATOM 903 O GLN A 55 -8.019 -8.901 3.655 1.00 0.00 O ATOM 904 CB GLN A 55 -8.750 -8.237 0.495 1.00 0.00 C ATOM 905 CG GLN A 55 -9.300 -9.273 -0.486 1.00 0.00 C ATOM 906 CD GLN A 55 -9.920 -8.596 -1.710 1.00 0.00 C ATOM 907 OE1 GLN A 55 -9.246 -8.240 -2.663 1.00 0.00 O ATOM 908 NE2 GLN A 55 -11.238 -8.438 -1.631 1.00 0.00 N ATOM 0 H GLN A 55 -10.537 -6.601 1.261 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.836 -9.336 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.862 -7.238 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.683 -8.403 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.498 -9.940 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.049 -9.888 0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.741 -8.759 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.745 -7.996 -2.397 1.00 0.00 H new ATOM 917 N LEU A 56 -8.314 -6.704 3.206 1.00 0.00 N ATOM 918 CA LEU A 56 -7.434 -6.254 4.271 1.00 0.00 C ATOM 919 C LEU A 56 -8.049 -6.619 5.623 1.00 0.00 C ATOM 920 O LEU A 56 -7.356 -6.642 6.639 1.00 0.00 O ATOM 921 CB LEU A 56 -7.125 -4.764 4.117 1.00 0.00 C ATOM 922 CG LEU A 56 -6.687 -4.310 2.723 1.00 0.00 C ATOM 923 CD1 LEU A 56 -6.658 -5.488 1.747 1.00 0.00 C ATOM 924 CD2 LEU A 56 -7.568 -3.167 2.216 1.00 0.00 C ATOM 0 H LEU A 56 -8.737 -5.955 2.657 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.472 -6.763 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.013 -4.198 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.340 -4.501 4.826 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.670 -3.925 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.344 -5.138 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.956 -6.241 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.654 -5.926 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.235 -2.864 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.604 -3.502 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.494 -2.320 2.898 1.00 0.00 H new ATOM 936 N GLN A 57 -9.345 -6.893 5.593 1.00 0.00 N ATOM 937 CA GLN A 57 -10.062 -7.255 6.804 1.00 0.00 C ATOM 938 C GLN A 57 -9.196 -8.159 7.683 1.00 0.00 C ATOM 939 O GLN A 57 -9.345 -8.172 8.904 1.00 0.00 O ATOM 940 CB GLN A 57 -11.395 -7.928 6.472 1.00 0.00 C ATOM 941 CG GLN A 57 -11.809 -8.900 7.578 1.00 0.00 C ATOM 942 CD GLN A 57 -12.003 -8.169 8.908 1.00 0.00 C ATOM 943 OE1 GLN A 57 -12.274 -6.980 8.958 1.00 0.00 O ATOM 944 NE2 GLN A 57 -11.848 -8.942 9.978 1.00 0.00 N ATOM 0 H GLN A 57 -9.917 -6.872 4.749 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.281 -6.343 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.167 -7.169 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.311 -8.463 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.734 -9.403 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.048 -9.672 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.621 -9.930 9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.956 -8.547 10.912 1.00 0.00 H new ATOM 953 N TYR A 58 -8.309 -8.894 7.028 1.00 0.00 N ATOM 954 CA TYR A 58 -7.419 -9.799 7.735 1.00 0.00 C ATOM 955 C TYR A 58 -6.363 -9.024 8.526 1.00 0.00 C ATOM 956 O TYR A 58 -6.195 -9.243 9.725 1.00 0.00 O ATOM 957 CB TYR A 58 -6.722 -10.633 6.658 1.00 0.00 C ATOM 958 CG TYR A 58 -7.526 -11.850 6.196 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.707 -12.921 7.048 1.00 0.00 C ATOM 960 CD2 TYR A 58 -8.069 -11.878 4.928 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.463 -14.067 6.614 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.825 -13.024 4.494 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.985 -14.062 5.358 1.00 0.00 C ATOM 964 OH TYR A 58 -9.699 -15.144 4.948 1.00 0.00 O ATOM 0 H TYR A 58 -8.188 -8.881 6.015 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.978 -10.412 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.517 -9.997 5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.759 -10.971 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.281 -12.899 8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.927 -11.040 4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.612 -14.911 7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.256 -13.059 3.504 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.012 -15.001 4.030 1.00 0.00 H new ATOM 974 N MET A 59 -5.679 -8.134 7.822 1.00 0.00 N ATOM 975 CA MET A 59 -4.644 -7.325 8.443 1.00 0.00 C ATOM 976 C MET A 59 -5.256 -6.199 9.279 1.00 0.00 C ATOM 977 O MET A 59 -4.721 -5.837 10.326 1.00 0.00 O ATOM 978 CB MET A 59 -3.745 -6.726 7.360 1.00 0.00 C ATOM 979 CG MET A 59 -3.463 -7.747 6.255 1.00 0.00 C ATOM 980 SD MET A 59 -1.724 -8.152 6.228 1.00 0.00 S ATOM 981 CE MET A 59 -1.398 -8.001 4.480 1.00 0.00 C ATOM 0 H MET A 59 -5.821 -7.955 6.828 1.00 0.00 H new ATOM 0 HA MET A 59 -4.057 -7.964 9.102 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.223 -5.844 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.806 -6.396 7.804 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.052 -8.649 6.422 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.766 -7.343 5.289 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.285 -8.994 4.044 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.229 -7.486 3.998 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.481 -7.432 4.329 1.00 0.00 H new ATOM 991 N ARG A 60 -6.369 -5.677 8.785 1.00 0.00 N ATOM 992 CA ARG A 60 -7.059 -4.599 9.473 1.00 0.00 C ATOM 993 C ARG A 60 -7.368 -5.003 10.916 1.00 0.00 C ATOM 994 O ARG A 60 -7.533 -4.145 11.783 1.00 0.00 O ATOM 995 CB ARG A 60 -8.365 -4.238 8.762 1.00 0.00 C ATOM 996 CG ARG A 60 -9.545 -4.264 9.735 1.00 0.00 C ATOM 997 CD ARG A 60 -10.852 -3.915 9.021 1.00 0.00 C ATOM 998 NE ARG A 60 -11.792 -3.275 9.968 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.980 -2.765 9.618 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -13.382 -2.817 8.341 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -13.767 -2.203 10.546 1.00 0.00 N ATOM 0 H ARG A 60 -6.810 -5.980 7.917 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.403 -3.729 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.279 -3.247 8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.545 -4.939 7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.626 -5.252 10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.369 -3.556 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.652 -3.244 8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.300 -4.817 8.605 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.518 -3.219 10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.783 -3.245 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.287 -2.428 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.461 -2.164 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.672 -1.814 10.280 1.00 0.00 H new ATOM 1015 N THR A 61 -7.436 -6.308 11.130 1.00 0.00 N ATOM 1016 CA THR A 61 -7.722 -6.836 12.454 1.00 0.00 C ATOM 1017 C THR A 61 -6.430 -6.983 13.260 1.00 0.00 C ATOM 1018 O THR A 61 -6.379 -6.609 14.430 1.00 0.00 O ATOM 1019 CB THR A 61 -8.485 -8.152 12.283 1.00 0.00 C ATOM 1020 OG1 THR A 61 -8.118 -8.600 10.981 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.998 -7.944 12.194 1.00 0.00 C ATOM 0 H THR A 61 -7.298 -7.016 10.409 1.00 0.00 H new ATOM 0 HA THR A 61 -8.349 -6.152 13.026 1.00 0.00 H new ATOM 0 HB THR A 61 -8.259 -8.814 13.119 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.187 -8.907 10.991 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.491 -8.908 12.073 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.354 -7.466 13.107 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.228 -7.309 11.338 1.00 0.00 H new ATOM 1029 N SER A 62 -5.418 -7.528 12.601 1.00 0.00 N ATOM 1030 CA SER A 62 -4.129 -7.728 13.242 1.00 0.00 C ATOM 1031 C SER A 62 -3.472 -6.377 13.530 1.00 0.00 C ATOM 1032 O SER A 62 -2.572 -6.285 14.364 1.00 0.00 O ATOM 1033 CB SER A 62 -3.211 -8.590 12.374 1.00 0.00 C ATOM 1034 OG SER A 62 -3.656 -9.942 12.305 1.00 0.00 O ATOM 0 H SER A 62 -5.464 -7.837 11.630 1.00 0.00 H new ATOM 0 HA SER A 62 -4.293 -8.253 14.183 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.165 -8.172 11.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.199 -8.562 12.778 1.00 0.00 H new ATOM 0 HG SER A 62 -3.044 -10.459 11.740 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.947 -5.361 12.824 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.417 -4.019 12.994 1.00 0.00 C ATOM 1042 C CYS A 63 -4.586 -3.072 13.272 1.00 0.00 C ATOM 1043 O CYS A 63 -5.599 -3.110 12.575 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.600 -3.576 11.778 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.813 -3.756 12.125 1.00 0.00 S ATOM 0 H CYS A 63 -4.693 -5.441 12.133 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.728 -4.001 13.839 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.872 -4.175 10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.829 -2.539 11.534 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.129 -3.379 11.086 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.402 -2.224 14.318 1.00 0.00 N ATOM 1052 CA PRO A 64 -5.430 -1.269 14.697 1.00 0.00 C ATOM 1053 C PRO A 64 -5.481 -0.099 13.713 1.00 0.00 C ATOM 1054 O PRO A 64 -6.551 0.446 13.445 1.00 0.00 O ATOM 1055 CB PRO A 64 -5.068 -0.841 16.110 1.00 0.00 C ATOM 1056 CG PRO A 64 -3.606 -1.213 16.296 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.216 -2.151 15.166 1.00 0.00 C ATOM 0 HA PRO A 64 -6.432 -1.697 14.669 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.219 0.230 16.244 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.696 -1.346 16.844 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.981 -0.320 16.284 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.455 -1.695 17.262 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.357 -1.770 14.614 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.940 -3.135 15.546 1.00 0.00 H new ATOM 1065 N GLN A 65 -4.311 0.253 13.200 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.208 1.349 12.251 1.00 0.00 C ATOM 1067 C GLN A 65 -4.226 0.813 10.818 1.00 0.00 C ATOM 1068 O GLN A 65 -3.930 1.544 9.874 1.00 0.00 O ATOM 1069 CB GLN A 65 -2.951 2.182 12.509 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.147 3.112 13.709 1.00 0.00 C ATOM 1071 CD GLN A 65 -1.846 3.266 14.500 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -1.737 2.868 15.648 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -0.870 3.865 13.824 1.00 0.00 N ATOM 0 H GLN A 65 -3.426 -0.202 13.424 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.070 2.002 12.385 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.103 1.521 12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.712 2.771 11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.486 4.089 13.365 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.927 2.715 14.358 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.029 4.174 12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.038 4.016 14.265 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.577 -0.459 10.700 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.637 -1.102 9.398 1.00 0.00 C ATOM 1084 C GLY A 66 -5.658 -0.409 8.492 1.00 0.00 C ATOM 1085 O GLY A 66 -5.365 -0.113 7.335 1.00 0.00 O ATOM 0 H GLY A 66 -4.823 -1.062 11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.653 -1.076 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.905 -2.152 9.518 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.865 -0.165 9.068 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.930 0.487 8.325 1.00 0.00 C ATOM 1091 C PRO A 67 -7.658 1.985 8.178 1.00 0.00 C ATOM 1092 O PRO A 67 -7.554 2.495 7.063 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.197 0.187 9.110 1.00 0.00 C ATOM 1094 CG PRO A 67 -8.740 -0.221 10.501 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.247 -0.502 10.437 1.00 0.00 C ATOM 0 HA PRO A 67 -8.015 0.121 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.846 1.062 9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.769 -0.611 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.949 0.572 11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.281 -1.106 10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.699 0.101 11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.030 -1.546 10.663 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.551 2.650 9.320 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.293 4.080 9.332 1.00 0.00 C ATOM 1105 C VAL A 68 -6.131 4.392 8.388 1.00 0.00 C ATOM 1106 O VAL A 68 -6.062 5.481 7.821 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.044 4.554 10.765 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -8.114 4.013 11.716 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -5.642 4.162 11.236 1.00 0.00 C ATOM 0 H VAL A 68 -7.638 2.225 10.243 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.162 4.629 8.969 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.108 5.642 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.913 4.365 12.728 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.095 4.365 11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.097 2.923 11.701 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.491 4.511 12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.537 3.078 11.204 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.898 4.618 10.583 1.00 0.00 H new ATOM 1119 N SER A 69 -5.245 3.416 8.248 1.00 0.00 N ATOM 1120 CA SER A 69 -4.089 3.574 7.383 1.00 0.00 C ATOM 1121 C SER A 69 -4.536 3.664 5.923 1.00 0.00 C ATOM 1122 O SER A 69 -3.923 4.370 5.124 1.00 0.00 O ATOM 1123 CB SER A 69 -3.103 2.418 7.565 1.00 0.00 C ATOM 1124 OG SER A 69 -2.198 2.310 6.470 1.00 0.00 O ATOM 0 H SER A 69 -5.305 2.513 8.719 1.00 0.00 H new ATOM 0 HA SER A 69 -3.580 4.498 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.540 2.563 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.655 1.484 7.672 1.00 0.00 H new ATOM 0 HG SER A 69 -1.585 1.562 6.625 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.602 2.939 5.618 1.00 0.00 N ATOM 1131 CA LEU A 70 -6.139 2.928 4.268 1.00 0.00 C ATOM 1132 C LEU A 70 -6.894 4.234 4.013 1.00 0.00 C ATOM 1133 O LEU A 70 -6.631 4.926 3.031 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.986 1.674 4.038 1.00 0.00 C ATOM 1135 CG LEU A 70 -6.583 0.436 4.842 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -7.533 -0.730 4.565 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.123 0.062 4.579 1.00 0.00 C ATOM 0 H LEU A 70 -6.109 2.355 6.283 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.331 2.878 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.024 1.913 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.947 1.423 2.978 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.667 0.675 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.224 -1.597 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.548 -0.447 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.505 -0.978 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.863 -0.821 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.987 -0.151 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.477 0.891 4.868 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.817 4.533 4.916 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.612 5.744 4.801 1.00 0.00 C ATOM 1151 C GLN A 71 -7.709 6.978 4.860 1.00 0.00 C ATOM 1152 O GLN A 71 -7.940 7.954 4.148 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.687 5.799 5.888 1.00 0.00 C ATOM 1154 CG GLN A 71 -10.020 4.396 6.401 1.00 0.00 C ATOM 1155 CD GLN A 71 -11.445 4.339 6.955 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -11.680 3.990 8.100 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -12.381 4.702 6.082 1.00 0.00 N ATOM 0 H GLN A 71 -8.032 3.957 5.730 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.118 5.733 3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.342 6.420 6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.587 6.268 5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.911 3.674 5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.312 4.112 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.116 4.984 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.363 4.699 6.357 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.701 6.894 5.715 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.763 7.992 5.876 1.00 0.00 C ATOM 1168 C ARG A 72 -4.720 7.967 4.758 1.00 0.00 C ATOM 1169 O ARG A 72 -4.026 8.957 4.529 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.052 7.915 7.229 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.050 8.045 8.381 1.00 0.00 C ATOM 1172 CD ARG A 72 -5.994 9.443 9.000 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.413 9.372 10.360 1.00 0.00 N ATOM 1174 CZ ARG A 72 -5.106 10.444 11.102 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -5.322 11.676 10.622 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -4.582 10.284 12.325 1.00 0.00 N ATOM 0 H ARG A 72 -6.513 6.083 6.304 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.330 8.922 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.519 6.968 7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.307 8.707 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.058 7.844 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.831 7.297 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.394 10.103 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.996 9.870 9.045 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.235 8.449 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.720 11.798 9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.088 12.492 11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.417 9.346 12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.348 11.100 12.890 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.642 6.826 4.090 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.695 6.659 3.000 1.00 0.00 C ATOM 1192 C GLN A 73 -4.101 7.527 1.807 1.00 0.00 C ATOM 1193 O GLN A 73 -3.250 8.136 1.160 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.579 5.189 2.594 1.00 0.00 C ATOM 1195 CG GLN A 73 -3.223 5.055 1.112 1.00 0.00 C ATOM 1196 CD GLN A 73 -4.485 4.960 0.252 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -5.590 5.227 0.694 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -4.258 4.566 -0.998 1.00 0.00 N ATOM 0 H GLN A 73 -5.219 6.007 4.282 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.713 6.985 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.817 4.700 3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.521 4.678 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.628 5.913 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.608 4.168 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.307 4.358 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.035 4.471 -1.652 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.400 7.556 1.552 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.929 8.339 0.448 1.00 0.00 C ATOM 1209 C ILE A 74 -5.886 9.824 0.815 1.00 0.00 C ATOM 1210 O ILE A 74 -5.685 10.174 1.976 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.323 7.843 0.058 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.374 7.457 -1.422 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.393 8.875 0.419 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.736 7.796 -2.030 1.00 0.00 C ATOM 0 H ILE A 74 -6.103 7.050 2.091 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.310 8.211 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.538 6.942 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.588 7.982 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.179 6.390 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.374 8.498 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.375 9.057 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.193 9.807 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.746 7.512 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.517 7.251 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.917 8.867 -1.942 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.082 10.679 -0.225 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.067 12.118 -0.024 1.00 0.00 C ATOM 1228 C PRO A 75 -7.355 12.590 0.654 1.00 0.00 C ATOM 1229 O PRO A 75 -7.323 13.086 1.779 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.875 12.707 -1.411 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.254 11.605 -2.388 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.323 10.299 -1.614 1.00 0.00 C ATOM 0 HA PRO A 75 -5.269 12.441 0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.503 13.587 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.843 13.024 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.214 11.823 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.518 11.535 -3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.295 9.820 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.574 9.590 -1.966 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.458 12.419 -0.060 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.755 12.822 0.458 1.00 0.00 C ATOM 1242 C LYS A 76 -10.156 11.886 1.600 1.00 0.00 C ATOM 1243 O LYS A 76 -11.189 11.222 1.529 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.785 12.891 -0.672 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.309 14.317 -0.849 1.00 0.00 C ATOM 1246 CD LYS A 76 -12.690 14.316 -1.508 1.00 0.00 C ATOM 1247 CE LYS A 76 -13.737 14.945 -0.586 1.00 0.00 C ATOM 1248 NZ LYS A 76 -13.721 16.419 -0.713 1.00 0.00 N ATOM 0 H LYS A 76 -8.481 12.007 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.704 13.828 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.333 12.548 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.615 12.219 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.365 14.811 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.612 14.891 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.649 14.867 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.981 13.294 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.727 14.563 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.538 14.661 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.437 16.830 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.781 16.780 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.933 16.685 -1.696 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.318 11.862 2.625 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.572 11.019 3.781 1.00 0.00 C ATOM 1264 C LEU A 77 -10.979 11.300 4.312 1.00 0.00 C ATOM 1265 O LEU A 77 -11.821 10.404 4.353 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.472 11.199 4.828 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.136 11.738 4.312 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -7.090 13.265 4.403 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -5.961 11.085 5.043 1.00 0.00 C ATOM 0 H LEU A 77 -8.462 12.413 2.679 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.541 9.967 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.840 11.875 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.292 10.236 5.306 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.045 11.474 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.130 13.623 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.894 13.690 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.213 13.571 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.024 11.486 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.034 11.296 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.987 10.007 4.884 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.190 12.547 4.706 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.480 12.957 5.233 1.00 0.00 C ATOM 1283 C ASP A 78 -13.593 12.323 4.397 1.00 0.00 C ATOM 1284 O ASP A 78 -14.693 12.089 4.896 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.645 14.477 5.165 1.00 0.00 C ATOM 1286 CG ASP A 78 -14.062 14.986 5.435 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -14.751 14.341 6.254 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.425 16.009 4.815 1.00 0.00 O ATOM 0 H ASP A 78 -10.489 13.287 4.671 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.537 12.634 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.967 14.934 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.335 14.817 4.177 1.00 0.00 H new ATOM 1293 N SER A 79 -13.269 12.062 3.139 1.00 0.00 N ATOM 1294 CA SER A 79 -14.228 11.459 2.229 1.00 0.00 C ATOM 1295 C SER A 79 -14.322 9.954 2.490 1.00 0.00 C ATOM 1296 O SER A 79 -15.394 9.442 2.807 1.00 0.00 O ATOM 1297 CB SER A 79 -13.844 11.721 0.772 1.00 0.00 C ATOM 1298 OG SER A 79 -13.200 10.597 0.178 1.00 0.00 O ATOM 0 H SER A 79 -12.356 12.257 2.729 1.00 0.00 H new ATOM 0 HA SER A 79 -15.202 11.914 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.738 11.970 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.183 12.586 0.722 1.00 0.00 H new ATOM 0 HG SER A 79 -12.250 10.601 0.417 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.186 9.288 2.347 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.127 7.853 2.564 1.00 0.00 C ATOM 1306 C VAL A 80 -13.074 7.570 4.066 1.00 0.00 C ATOM 1307 O VAL A 80 -13.561 6.537 4.525 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.942 7.257 1.801 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.618 7.612 2.480 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.092 5.742 1.652 1.00 0.00 C ATOM 0 H VAL A 80 -12.299 9.716 2.083 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.023 7.371 2.174 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.934 7.693 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.792 7.176 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.504 8.696 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.613 7.218 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.237 5.344 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.139 5.282 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.008 5.519 1.104 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.478 8.505 4.792 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.355 8.369 6.233 1.00 0.00 C ATOM 1322 C LEU A 81 -13.751 8.264 6.852 1.00 0.00 C ATOM 1323 O LEU A 81 -13.887 7.970 8.038 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.512 9.508 6.809 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.568 9.683 8.328 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.936 10.209 8.769 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.196 8.383 9.043 1.00 0.00 C ATOM 0 H LEU A 81 -12.075 9.360 4.409 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.824 7.451 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.473 9.347 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.831 10.441 6.344 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.828 10.431 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.949 10.324 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.123 11.174 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.711 9.503 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.244 8.534 10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.894 7.597 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.184 8.090 8.762 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.752 8.509 6.020 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.132 8.446 6.470 1.00 0.00 C ATOM 1341 C LYS A 82 -16.952 7.625 5.473 1.00 0.00 C ATOM 1342 O LYS A 82 -17.094 6.413 5.630 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.683 9.853 6.708 1.00 0.00 C ATOM 1344 CG LYS A 82 -17.316 9.967 8.097 1.00 0.00 C ATOM 1345 CD LYS A 82 -18.219 8.767 8.388 1.00 0.00 C ATOM 1346 CE LYS A 82 -19.687 9.191 8.462 1.00 0.00 C ATOM 1347 NZ LYS A 82 -20.090 9.420 9.868 1.00 0.00 N ATOM 0 H LYS A 82 -14.635 8.752 5.036 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.196 7.937 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.880 10.583 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.425 10.090 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.533 10.030 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.896 10.887 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.093 8.015 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.923 8.304 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -19.839 10.101 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -20.317 8.420 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -21.089 9.707 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.964 8.543 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -19.500 10.171 10.280 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.471 8.317 4.470 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.273 7.667 3.448 1.00 0.00 C ATOM 1363 C TYR A 83 -18.628 8.645 2.325 1.00 0.00 C ATOM 1364 O TYR A 83 -19.449 8.334 1.463 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.560 7.219 4.143 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.166 5.938 3.566 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -19.556 4.722 3.798 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -21.321 5.999 2.814 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.126 3.516 3.255 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -21.891 4.793 2.271 1.00 0.00 C ATOM 1371 CZ TYR A 83 -21.266 3.611 2.519 1.00 0.00 C ATOM 1372 OH TYR A 83 -21.804 2.472 2.006 1.00 0.00 O ATOM 0 H TYR A 83 -17.352 9.322 4.343 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.727 6.835 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.354 7.066 5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.296 8.020 4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -18.652 4.675 4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -21.798 6.951 2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -19.659 2.558 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -22.794 4.827 1.680 1.00 0.00 H new ATOM 0 HH TYR A 83 -22.617 2.691 1.504 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.991 9.806 2.372 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.229 10.830 1.369 1.00 0.00 C ATOM 1384 C LYS A 84 -17.983 10.243 -0.022 1.00 0.00 C ATOM 1385 O LYS A 84 -18.144 9.042 -0.230 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.392 12.076 1.667 1.00 0.00 C ATOM 1387 CG LYS A 84 -18.193 13.352 1.399 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.320 14.418 0.734 1.00 0.00 C ATOM 1389 CE LYS A 84 -17.679 14.576 -0.745 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.570 15.994 -1.155 1.00 0.00 N ATOM 0 H LYS A 84 -17.311 10.060 3.088 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.268 11.157 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.066 12.059 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.493 12.071 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -19.045 13.123 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.594 13.738 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.449 15.371 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.269 14.144 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.015 13.963 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.693 14.218 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.817 16.084 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.221 16.571 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.595 16.324 -1.007 1.00 0.00 H new ATOM 1404 N HIS A 85 -17.598 11.119 -0.939 1.00 0.00 N ATOM 1405 CA HIS A 85 -17.329 10.702 -2.305 1.00 0.00 C ATOM 1406 C HIS A 85 -16.680 9.316 -2.300 1.00 0.00 C ATOM 1407 O HIS A 85 -16.679 8.624 -3.317 1.00 0.00 O ATOM 1408 CB HIS A 85 -16.486 11.749 -3.036 1.00 0.00 C ATOM 1409 CG HIS A 85 -17.286 12.671 -3.924 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -18.419 12.260 -4.604 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -17.106 13.986 -4.236 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -18.891 13.290 -5.291 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -18.076 14.359 -5.062 1.00 0.00 N ATOM 0 H HIS A 85 -17.466 12.115 -0.763 1.00 0.00 H new ATOM 0 HA HIS A 85 -18.266 10.624 -2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.949 12.347 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.736 11.239 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.309 14.618 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.768 13.284 -5.922 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.192 15.291 -5.460 1.00 0.00 H new ATOM 1421 N THR A 86 -16.145 8.952 -1.144 1.00 0.00 N ATOM 1422 CA THR A 86 -15.495 7.662 -0.994 1.00 0.00 C ATOM 1423 C THR A 86 -16.423 6.539 -1.461 1.00 0.00 C ATOM 1424 O THR A 86 -15.979 5.414 -1.686 1.00 0.00 O ATOM 1425 CB THR A 86 -15.056 7.520 0.465 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.138 6.430 0.447 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.189 7.038 1.373 1.00 0.00 C ATOM 0 H THR A 86 -16.149 9.528 -0.302 1.00 0.00 H new ATOM 0 HA THR A 86 -14.608 7.591 -1.624 1.00 0.00 H new ATOM 0 HB THR A 86 -14.684 8.478 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.484 6.565 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.824 6.954 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.012 7.752 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.539 6.064 1.032 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.696 6.884 -1.592 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.691 5.919 -2.028 1.00 0.00 C ATOM 1437 C ASP A 87 -18.036 4.907 -2.970 1.00 0.00 C ATOM 1438 O ASP A 87 -16.880 4.534 -2.779 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.828 6.605 -2.788 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.236 6.176 -2.372 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.337 5.500 -1.325 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -22.180 6.534 -3.110 1.00 0.00 O ATOM 0 H ASP A 87 -18.061 7.818 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.094 5.427 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.738 7.683 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.704 6.407 -3.853 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.824 4.480 -3.993 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.333 3.518 -4.965 1.00 0.00 C ATOM 1449 C PRO A 88 -17.359 4.177 -5.944 1.00 0.00 C ATOM 1450 O PRO A 88 -17.102 3.645 -7.023 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.579 2.973 -5.644 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.683 3.978 -5.358 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.198 4.900 -4.250 1.00 0.00 C ATOM 0 HA PRO A 88 -17.761 2.712 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.422 2.860 -6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.837 1.988 -5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.920 4.551 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.597 3.466 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.242 5.945 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.815 4.804 -3.357 1.00 0.00 H new ATOM 1461 N THR A 89 -16.843 5.326 -5.533 1.00 0.00 N ATOM 1462 CA THR A 89 -15.903 6.063 -6.360 1.00 0.00 C ATOM 1463 C THR A 89 -14.504 5.454 -6.250 1.00 0.00 C ATOM 1464 O THR A 89 -13.857 5.189 -7.261 1.00 0.00 O ATOM 1465 CB THR A 89 -15.960 7.535 -5.944 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.548 8.241 -7.111 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.899 7.889 -4.900 1.00 0.00 C ATOM 0 H THR A 89 -17.058 5.765 -4.638 1.00 0.00 H new ATOM 0 HA THR A 89 -16.169 5.998 -7.415 1.00 0.00 H new ATOM 0 HB THR A 89 -16.950 7.763 -5.548 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.698 7.875 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.983 8.944 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 89 -15.050 7.282 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.907 7.694 -5.308 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.077 5.251 -5.012 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.767 4.678 -4.756 1.00 0.00 C ATOM 1477 C PHE A 90 -12.875 3.189 -4.422 1.00 0.00 C ATOM 1478 O PHE A 90 -11.904 2.447 -4.559 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.183 5.418 -3.550 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.368 6.659 -3.917 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.476 6.609 -4.942 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.534 7.814 -3.218 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.719 7.761 -5.283 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -10.777 8.966 -3.558 1.00 0.00 C ATOM 1485 CZ PHE A 90 -9.885 8.915 -4.583 1.00 0.00 C ATOM 0 H PHE A 90 -14.616 5.473 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.138 4.780 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.997 5.713 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.549 4.732 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.343 5.692 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.242 7.855 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.012 7.721 -6.098 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.910 9.883 -3.003 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.308 9.791 -4.841 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.065 2.797 -3.991 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.312 1.410 -3.637 1.00 0.00 C ATOM 1497 C GLY A 91 -13.730 0.463 -4.689 1.00 0.00 C ATOM 1498 O GLY A 91 -13.052 0.901 -5.616 1.00 0.00 O ATOM 0 H GLY A 91 -14.868 3.416 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.869 1.195 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.385 1.240 -3.544 1.00 0.00 H new ATOM 1502 N MET A 92 -14.017 -0.818 -4.509 1.00 0.00 N ATOM 1503 CA MET A 92 -13.531 -1.830 -5.431 1.00 0.00 C ATOM 1504 C MET A 92 -12.211 -1.399 -6.072 1.00 0.00 C ATOM 1505 O MET A 92 -11.136 -1.719 -5.566 1.00 0.00 O ATOM 1506 CB MET A 92 -14.575 -2.070 -6.523 1.00 0.00 C ATOM 1507 CG MET A 92 -15.242 -0.758 -6.942 1.00 0.00 C ATOM 1508 SD MET A 92 -16.577 -0.367 -5.823 1.00 0.00 S ATOM 1509 CE MET A 92 -16.582 1.413 -5.956 1.00 0.00 C ATOM 0 H MET A 92 -14.580 -1.178 -3.738 1.00 0.00 H new ATOM 0 HA MET A 92 -13.359 -2.750 -4.873 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.101 -2.534 -7.388 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.331 -2.767 -6.162 1.00 0.00 H new ATOM 0 HG2 MET A 92 -14.509 0.048 -6.942 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.623 -0.843 -7.960 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.732 1.851 -4.969 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.628 1.750 -6.361 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.389 1.726 -6.619 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.334 -0.679 -7.178 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.164 -0.201 -7.894 1.00 0.00 C ATOM 1521 C ASP A 93 -11.040 1.313 -7.706 1.00 0.00 C ATOM 1522 O ASP A 93 -11.755 2.082 -8.347 1.00 0.00 O ATOM 1523 CB ASP A 93 -11.282 -0.483 -9.393 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.015 -1.933 -9.801 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.874 -2.781 -9.480 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -9.956 -2.160 -10.426 1.00 0.00 O ATOM 0 H ASP A 93 -13.227 -0.415 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.291 -0.719 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.284 -0.208 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.583 0.163 -9.925 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.128 1.694 -6.824 1.00 0.00 N ATOM 1532 CA LEU A 94 -9.901 3.102 -6.544 1.00 0.00 C ATOM 1533 C LEU A 94 -9.060 3.712 -7.667 1.00 0.00 C ATOM 1534 O LEU A 94 -9.149 4.910 -7.933 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.290 3.279 -5.152 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.921 3.960 -5.103 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.009 5.318 -4.404 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.878 3.048 -4.454 1.00 0.00 C ATOM 0 H LEU A 94 -9.538 1.053 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.847 3.644 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.984 3.858 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.202 2.297 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.595 4.145 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.022 5.781 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.700 5.962 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.367 5.180 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.914 3.556 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.186 2.810 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.790 2.128 -5.031 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.263 2.861 -8.296 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.407 3.301 -9.384 1.00 0.00 C ATOM 1552 C GLN A 95 -8.207 4.141 -10.382 1.00 0.00 C ATOM 1553 O GLN A 95 -7.664 5.046 -11.014 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.745 2.109 -10.078 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.673 2.575 -11.065 1.00 0.00 C ATOM 1556 CD GLN A 95 -4.785 3.653 -10.442 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -4.509 3.656 -9.253 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -4.353 4.566 -11.307 1.00 0.00 N ATOM 0 H GLN A 95 -8.192 1.868 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.614 3.923 -8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.297 1.452 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.500 1.525 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.061 1.726 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.148 2.965 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.621 4.505 -12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.753 5.327 -10.988 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.486 3.811 -10.494 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.366 4.523 -11.404 1.00 0.00 C ATOM 1569 C LYS A 96 -10.452 5.991 -10.980 1.00 0.00 C ATOM 1570 O LYS A 96 -10.551 6.880 -11.825 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.726 3.827 -11.489 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.559 2.311 -11.614 1.00 0.00 C ATOM 1573 CD LYS A 96 -10.536 1.959 -12.696 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.499 0.450 -12.945 1.00 0.00 C ATOM 1575 NZ LYS A 96 -11.554 0.057 -13.906 1.00 0.00 N ATOM 0 H LYS A 96 -9.933 3.060 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.961 4.506 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.314 4.060 -10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.280 4.207 -12.347 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.239 1.897 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.519 1.854 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.787 2.478 -13.621 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.548 2.306 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.521 0.163 -13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.639 -0.083 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.515 -0.970 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.486 0.313 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.403 0.552 -14.808 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.411 6.199 -9.672 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.483 7.543 -9.126 1.00 0.00 C ATOM 1591 C CYS A 97 -9.062 8.106 -9.047 1.00 0.00 C ATOM 1592 O CYS A 97 -8.868 9.320 -9.090 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.182 7.564 -7.765 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.991 7.722 -7.994 1.00 0.00 S ATOM 0 H CYS A 97 -10.329 5.459 -8.975 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.086 8.172 -9.780 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.955 6.650 -7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.809 8.396 -7.168 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.519 6.539 -8.108 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.105 7.197 -8.931 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.708 7.588 -8.845 1.00 0.00 C ATOM 1602 C VAL A 98 -6.212 7.997 -10.233 1.00 0.00 C ATOM 1603 O VAL A 98 -5.170 8.639 -10.359 1.00 0.00 O ATOM 1604 CB VAL A 98 -5.886 6.456 -8.226 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.408 6.841 -8.131 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.440 6.063 -6.855 1.00 0.00 C ATOM 0 H VAL A 98 -8.269 6.191 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.592 8.452 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.965 5.588 -8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.846 6.019 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.021 7.049 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.303 7.730 -7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.838 5.256 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.406 6.925 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.472 5.728 -6.962 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.980 7.610 -11.240 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.631 7.929 -12.614 1.00 0.00 C ATOM 1618 C GLN A 99 -6.224 9.399 -12.731 1.00 0.00 C ATOM 1619 O GLN A 99 -5.672 9.815 -13.748 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.786 7.603 -13.563 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.464 6.288 -13.172 1.00 0.00 C ATOM 1622 CD GLN A 99 -7.716 5.090 -13.761 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -8.189 4.410 -14.657 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -6.526 4.870 -13.209 1.00 0.00 N ATOM 0 H GLN A 99 -7.844 7.078 -11.132 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.780 7.313 -12.904 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.516 8.412 -13.544 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.413 7.534 -14.585 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.499 6.201 -12.086 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.495 6.287 -13.525 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.190 5.478 -12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.950 4.093 -13.532 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.511 10.145 -11.674 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.182 11.560 -11.645 1.00 0.00 C ATOM 1635 C ARG A 100 -7.440 12.393 -11.394 1.00 0.00 C ATOM 1636 O ARG A 100 -7.416 13.616 -11.524 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.540 12.003 -12.961 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.200 13.495 -12.931 1.00 0.00 C ATOM 1639 CD ARG A 100 -6.092 14.280 -13.895 1.00 0.00 C ATOM 1640 NE ARG A 100 -5.314 15.364 -14.535 1.00 0.00 N ATOM 1641 CZ ARG A 100 -4.438 15.173 -15.531 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -4.224 13.939 -16.008 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -3.777 16.216 -16.051 1.00 0.00 N ATOM 0 H ARG A 100 -6.968 9.796 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.470 11.718 -10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.634 11.424 -13.141 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.219 11.798 -13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.325 13.880 -11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.153 13.639 -13.200 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.495 13.612 -14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.942 14.700 -13.357 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.453 16.316 -14.197 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.728 13.145 -15.613 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.557 13.794 -16.766 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.941 17.155 -15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.110 16.071 -16.809 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.510 11.698 -11.038 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.776 12.358 -10.767 1.00 0.00 C ATOM 1659 C GLY A 101 -9.891 12.737 -9.289 1.00 0.00 C ATOM 1660 O GLY A 101 -9.044 13.455 -8.761 1.00 0.00 O ATOM 0 H GLY A 101 -8.527 10.684 -10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.863 13.253 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.600 11.700 -11.043 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.947 12.238 -8.664 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.185 12.516 -7.258 1.00 0.00 C ATOM 1666 C LEU A 102 -10.099 13.460 -6.738 1.00 0.00 C ATOM 1667 O LEU A 102 -10.322 14.664 -6.621 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.295 11.211 -6.465 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.502 11.094 -5.532 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -12.165 11.612 -4.132 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.724 11.798 -6.125 1.00 0.00 C ATOM 0 H LEU A 102 -11.648 11.643 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.140 13.024 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.325 10.381 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.389 11.092 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.756 10.039 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.040 11.518 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.344 11.028 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.871 12.660 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.568 11.700 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.499 12.854 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.977 11.343 -7.082 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.946 12.878 -6.441 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.825 13.653 -5.937 1.00 0.00 C ATOM 1685 C TRP A 103 -6.540 13.060 -6.519 1.00 0.00 C ATOM 1686 O TRP A 103 -6.548 11.946 -7.041 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.827 13.689 -4.407 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.095 15.076 -3.818 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -9.192 15.833 -3.957 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -7.201 15.844 -2.985 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -9.070 17.028 -3.278 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -7.821 17.035 -2.668 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -5.910 15.542 -2.516 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -7.227 18.019 -1.869 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -5.330 16.536 -1.719 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -5.941 17.740 -1.390 1.00 0.00 C ATOM 0 H TRP A 103 -8.764 11.879 -6.540 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.903 14.693 -6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.584 12.996 -4.038 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.864 13.331 -4.044 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.062 15.544 -4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -9.768 17.770 -3.232 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.406 14.616 -2.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.733 18.944 -1.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.338 16.354 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -5.426 18.457 -0.768 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.468 13.830 -6.410 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.179 13.395 -6.919 1.00 0.00 C ATOM 1709 C ASN A 104 -3.297 12.950 -5.750 1.00 0.00 C ATOM 1710 O ASN A 104 -2.515 13.739 -5.222 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.460 14.533 -7.646 1.00 0.00 C ATOM 1712 CG ASN A 104 -4.443 15.358 -8.479 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -5.045 16.311 -8.013 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -4.572 14.939 -9.735 1.00 0.00 N ATOM 0 H ASN A 104 -5.466 14.753 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.352 12.575 -7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.963 15.177 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.684 14.123 -8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.205 15.423 -10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.038 14.134 -10.061 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.458 11.654 -5.370 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.686 11.095 -4.273 1.00 0.00 C ATOM 1723 C PRO A 105 -1.241 10.827 -4.699 1.00 0.00 C ATOM 1724 O PRO A 105 -0.909 10.933 -5.879 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.430 9.832 -3.871 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.323 9.482 -5.051 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.374 10.690 -5.971 1.00 0.00 C ATOM 0 HA PRO A 105 -2.602 11.778 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.735 9.021 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.020 9.996 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.932 8.614 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.324 9.221 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.066 10.430 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.384 11.093 -6.039 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.421 10.486 -3.716 1.00 0.00 N ATOM 1736 CA LYS A 106 0.980 10.202 -3.975 1.00 0.00 C ATOM 1737 C LYS A 106 1.537 9.332 -2.846 1.00 0.00 C ATOM 1738 O LYS A 106 2.668 9.530 -2.405 1.00 0.00 O ATOM 1739 CB LYS A 106 1.759 11.501 -4.192 1.00 0.00 C ATOM 1740 CG LYS A 106 0.812 12.700 -4.280 1.00 0.00 C ATOM 1741 CD LYS A 106 0.093 12.930 -2.949 1.00 0.00 C ATOM 1742 CE LYS A 106 0.934 12.421 -1.777 1.00 0.00 C ATOM 1743 NZ LYS A 106 2.199 13.182 -1.677 1.00 0.00 N ATOM 0 H LYS A 106 -0.700 10.400 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 106 1.089 9.634 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.463 11.648 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.346 11.429 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.375 13.593 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.079 12.532 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.111 13.993 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.870 12.420 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.371 12.517 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.150 11.361 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.003 12.523 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.273 13.839 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.211 13.720 -0.787 1.00 0.00 H new ATOM 1757 N GLU A 107 0.717 8.387 -2.411 1.00 0.00 N ATOM 1758 CA GLU A 107 1.113 7.487 -1.342 1.00 0.00 C ATOM 1759 C GLU A 107 1.093 6.038 -1.834 1.00 0.00 C ATOM 1760 O GLU A 107 0.341 5.699 -2.746 1.00 0.00 O ATOM 1761 CB GLU A 107 0.214 7.662 -0.116 1.00 0.00 C ATOM 1762 CG GLU A 107 0.033 9.142 0.224 1.00 0.00 C ATOM 1763 CD GLU A 107 1.294 9.714 0.876 1.00 0.00 C ATOM 1764 OE1 GLU A 107 2.371 9.556 0.263 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.151 10.296 1.973 1.00 0.00 O ATOM 0 H GLU A 107 -0.220 8.225 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 107 2.131 7.735 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.758 7.207 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.649 7.140 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.197 9.701 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.816 9.263 0.897 1.00 0.00 H new ATOM 1772 N ALA A 108 1.929 5.222 -1.208 1.00 0.00 N ATOM 1773 CA ALA A 108 2.017 3.818 -1.570 1.00 0.00 C ATOM 1774 C ALA A 108 1.543 2.962 -0.394 1.00 0.00 C ATOM 1775 O ALA A 108 1.802 3.291 0.762 1.00 0.00 O ATOM 1776 CB ALA A 108 3.450 3.488 -1.991 1.00 0.00 C ATOM 0 H ALA A 108 2.552 5.507 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 108 1.369 3.599 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.516 2.434 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.728 4.102 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.129 3.692 -1.163 1.00 0.00 H new ATOM 1782 N LEU A 109 0.857 1.879 -0.731 1.00 0.00 N ATOM 1783 CA LEU A 109 0.345 0.973 0.283 1.00 0.00 C ATOM 1784 C LEU A 109 1.188 -0.304 0.293 1.00 0.00 C ATOM 1785 O LEU A 109 1.462 -0.880 -0.759 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.149 0.721 0.070 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.101 1.598 0.887 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.322 2.000 0.059 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.496 0.908 2.194 1.00 0.00 C ATOM 0 H LEU A 109 0.644 1.609 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 109 0.432 1.421 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.374 0.862 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.358 -0.323 0.304 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.577 2.516 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.982 2.623 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.998 2.559 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.857 1.105 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.173 1.552 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.995 -0.035 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.603 0.715 2.788 1.00 0.00 H new ATOM 1801 N TRP A 110 1.577 -0.708 1.493 1.00 0.00 N ATOM 1802 CA TRP A 110 2.384 -1.906 1.654 1.00 0.00 C ATOM 1803 C TRP A 110 1.711 -2.791 2.705 1.00 0.00 C ATOM 1804 O TRP A 110 1.493 -2.362 3.837 1.00 0.00 O ATOM 1805 CB TRP A 110 3.829 -1.550 2.010 1.00 0.00 C ATOM 1806 CG TRP A 110 4.559 -2.633 2.805 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.323 -2.482 3.896 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.564 -4.049 2.526 1.00 0.00 C ATOM 1809 NE1 TRP A 110 5.818 -3.692 4.339 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.341 -4.675 3.479 1.00 0.00 C ATOM 1811 CE3 TRP A 110 3.932 -4.777 1.503 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.559 -6.058 3.503 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.159 -6.158 1.540 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.939 -6.803 2.493 1.00 0.00 C ATOM 0 H TRP A 110 1.349 -0.227 2.363 1.00 0.00 H new ATOM 0 HA TRP A 110 2.443 -2.460 0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.381 -1.354 1.091 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.833 -0.625 2.587 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.526 -1.533 4.369 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.422 -3.838 5.148 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.319 -4.308 0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.172 -6.525 4.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.696 -6.764 0.775 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.066 -7.875 2.454 1.00 0.00 H new ATOM 1825 N VAL A 111 1.401 -4.012 2.293 1.00 0.00 N ATOM 1826 CA VAL A 111 0.758 -4.962 3.184 1.00 0.00 C ATOM 1827 C VAL A 111 1.355 -6.352 2.958 1.00 0.00 C ATOM 1828 O VAL A 111 1.467 -6.806 1.821 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.758 -4.923 2.984 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.320 -3.538 3.312 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.134 -5.345 1.562 1.00 0.00 C ATOM 0 H VAL A 111 1.584 -4.365 1.354 1.00 0.00 H new ATOM 0 HA VAL A 111 0.942 -4.695 4.224 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.205 -5.637 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.400 -3.538 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.099 -3.292 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.863 -2.796 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.217 -5.309 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.670 -4.667 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.783 -6.361 1.379 1.00 0.00 H new ATOM 1841 N ASP A 112 1.724 -6.989 4.060 1.00 0.00 N ATOM 1842 CA ASP A 112 2.307 -8.318 3.997 1.00 0.00 C ATOM 1843 C ASP A 112 1.342 -9.325 4.626 1.00 0.00 C ATOM 1844 O ASP A 112 0.800 -9.081 5.703 1.00 0.00 O ATOM 1845 CB ASP A 112 3.625 -8.379 4.771 1.00 0.00 C ATOM 1846 CG ASP A 112 3.900 -9.709 5.476 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.054 -10.715 4.751 1.00 0.00 O ATOM 1848 OD2 ASP A 112 3.949 -9.689 6.725 1.00 0.00 O ATOM 0 H ASP A 112 1.630 -6.609 5.002 1.00 0.00 H new ATOM 0 HA ASP A 112 2.493 -8.555 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.444 -8.175 4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.629 -7.583 5.515 1.00 0.00 H new ATOM 1853 N TRP A 113 1.156 -10.435 3.928 1.00 0.00 N ATOM 1854 CA TRP A 113 0.266 -11.480 4.405 1.00 0.00 C ATOM 1855 C TRP A 113 1.125 -12.658 4.868 1.00 0.00 C ATOM 1856 O TRP A 113 0.598 -13.700 5.254 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.750 -11.868 3.329 1.00 0.00 C ATOM 1858 CG TRP A 113 -2.177 -12.041 3.854 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -3.147 -11.120 3.927 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.758 -13.254 4.378 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.306 -11.647 4.459 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -4.062 -12.986 4.742 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -2.201 -14.534 4.540 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.918 -13.948 5.291 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -3.069 -15.485 5.090 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.384 -15.231 5.461 1.00 0.00 C ATOM 0 H TRP A 113 1.607 -10.634 3.035 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.325 -11.127 5.250 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.750 -11.104 2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.431 -12.799 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.036 -10.094 3.609 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.181 -11.146 4.616 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -1.183 -14.766 4.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.935 -13.713 5.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.690 -16.486 5.236 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.992 -16.020 5.879 1.00 0.00 H new ATOM 1877 N GLU A 114 2.432 -12.452 4.816 1.00 0.00 N ATOM 1878 CA GLU A 114 3.369 -13.485 5.225 1.00 0.00 C ATOM 1879 C GLU A 114 3.704 -13.338 6.711 1.00 0.00 C ATOM 1880 O GLU A 114 3.587 -14.295 7.475 1.00 0.00 O ATOM 1881 CB GLU A 114 4.638 -13.444 4.371 1.00 0.00 C ATOM 1882 CG GLU A 114 5.571 -14.605 4.720 1.00 0.00 C ATOM 1883 CD GLU A 114 4.778 -15.888 4.979 1.00 0.00 C ATOM 1884 OE1 GLU A 114 3.943 -16.223 4.112 1.00 0.00 O ATOM 1885 OE2 GLU A 114 5.025 -16.503 6.039 1.00 0.00 O ATOM 0 H GLU A 114 2.865 -11.585 4.497 1.00 0.00 H new ATOM 0 HA GLU A 114 2.899 -14.456 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.372 -13.491 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.155 -12.497 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.276 -14.767 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.158 -14.352 5.603 1.00 0.00 H new ATOM 1892 N ASN A 115 4.114 -12.132 7.076 1.00 0.00 N ATOM 1893 CA ASN A 115 4.466 -11.848 8.457 1.00 0.00 C ATOM 1894 C ASN A 115 3.512 -10.790 9.015 1.00 0.00 C ATOM 1895 O ASN A 115 3.807 -10.154 10.026 1.00 0.00 O ATOM 1896 CB ASN A 115 5.891 -11.301 8.561 1.00 0.00 C ATOM 1897 CG ASN A 115 6.810 -12.296 9.273 1.00 0.00 C ATOM 1898 OD1 ASN A 115 7.472 -13.118 8.660 1.00 0.00 O ATOM 1899 ND2 ASN A 115 6.813 -12.177 10.597 1.00 0.00 N ATOM 0 H ASN A 115 4.210 -11.341 6.440 1.00 0.00 H new ATOM 0 HA ASN A 115 4.394 -12.778 9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.278 -11.093 7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.883 -10.356 9.104 1.00 0.00 H new ATOM 0 HD21 ASN A 115 7.393 -12.796 11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.235 -11.467 11.047 1.00 0.00 H new ATOM 1906 N LYS A 116 2.388 -10.634 8.332 1.00 0.00 N ATOM 1907 CA LYS A 116 1.389 -9.664 8.747 1.00 0.00 C ATOM 1908 C LYS A 116 2.056 -8.301 8.939 1.00 0.00 C ATOM 1909 O LYS A 116 1.948 -7.697 10.006 1.00 0.00 O ATOM 1910 CB LYS A 116 0.640 -10.162 9.985 1.00 0.00 C ATOM 1911 CG LYS A 116 1.530 -10.096 11.228 1.00 0.00 C ATOM 1912 CD LYS A 116 2.193 -11.448 11.499 1.00 0.00 C ATOM 1913 CE LYS A 116 1.463 -12.203 12.612 1.00 0.00 C ATOM 1914 NZ LYS A 116 2.302 -13.309 13.125 1.00 0.00 N ATOM 0 H LYS A 116 2.147 -11.163 7.494 1.00 0.00 H new ATOM 0 HA LYS A 116 0.632 -9.542 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.254 -9.558 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.308 -11.188 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.296 -9.332 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.934 -9.799 12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.193 -12.046 10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.235 -11.296 11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.218 -11.518 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.521 -12.599 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.792 -13.811 13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.515 -13.971 12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.190 -12.924 13.505 1.00 0.00 H new ATOM 1928 N LEU A 117 2.733 -7.856 7.891 1.00 0.00 N ATOM 1929 CA LEU A 117 3.418 -6.575 7.931 1.00 0.00 C ATOM 1930 C LEU A 117 2.762 -5.619 6.933 1.00 0.00 C ATOM 1931 O LEU A 117 2.861 -5.816 5.723 1.00 0.00 O ATOM 1932 CB LEU A 117 4.920 -6.764 7.706 1.00 0.00 C ATOM 1933 CG LEU A 117 5.842 -5.967 8.630 1.00 0.00 C ATOM 1934 CD1 LEU A 117 5.279 -5.912 10.052 1.00 0.00 C ATOM 1935 CD2 LEU A 117 7.266 -6.525 8.599 1.00 0.00 C ATOM 0 H LEU A 117 2.822 -8.360 7.009 1.00 0.00 H new ATOM 0 HA LEU A 117 3.321 -6.122 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.154 -7.823 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.150 -6.494 6.675 1.00 0.00 H new ATOM 0 HG LEU A 117 5.890 -4.942 8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.954 -5.340 10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.300 -5.433 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.182 -6.924 10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.901 -5.940 9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.257 -7.564 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.657 -6.469 7.583 1.00 0.00 H new ATOM 1947 N VAL A 118 2.107 -4.605 7.477 1.00 0.00 N ATOM 1948 CA VAL A 118 1.435 -3.618 6.650 1.00 0.00 C ATOM 1949 C VAL A 118 1.712 -2.219 7.205 1.00 0.00 C ATOM 1950 O VAL A 118 2.184 -2.077 8.332 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.058 -3.940 6.559 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.284 -5.436 6.335 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.801 -3.454 7.806 1.00 0.00 C ATOM 0 H VAL A 118 2.027 -4.445 8.481 1.00 0.00 H new ATOM 0 HA VAL A 118 1.823 -3.646 5.632 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.463 -3.408 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.354 -5.637 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.196 -5.741 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.144 -5.997 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.860 -3.695 7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.391 -3.945 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.682 -2.375 7.903 1.00 0.00 H new ATOM 1963 N GLY A 119 1.407 -1.222 6.388 1.00 0.00 N ATOM 1964 CA GLY A 119 1.617 0.161 6.783 1.00 0.00 C ATOM 1965 C GLY A 119 1.460 1.103 5.588 1.00 0.00 C ATOM 1966 O GLY A 119 1.763 0.730 4.455 1.00 0.00 O ATOM 0 H GLY A 119 1.016 -1.344 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.904 0.433 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.613 0.273 7.211 1.00 0.00 H new ATOM 1970 N ASN A 120 0.988 2.305 5.881 1.00 0.00 N ATOM 1971 CA ASN A 120 0.787 3.304 4.845 1.00 0.00 C ATOM 1972 C ASN A 120 2.107 4.030 4.579 1.00 0.00 C ATOM 1973 O ASN A 120 3.014 4.001 5.410 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.247 4.345 5.276 1.00 0.00 C ATOM 1975 CG ASN A 120 0.117 4.949 6.634 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.076 4.296 7.664 1.00 0.00 O ATOM 1977 ND2 ASN A 120 0.475 6.229 6.579 1.00 0.00 N ATOM 0 H ASN A 120 0.739 2.610 6.822 1.00 0.00 H new ATOM 0 HA ASN A 120 0.432 2.794 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.307 5.135 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.232 3.883 5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.737 6.722 7.432 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.488 6.717 5.683 1.00 0.00 H new ATOM 1984 N GLU A 121 2.174 4.664 3.418 1.00 0.00 N ATOM 1985 CA GLU A 121 3.368 5.396 3.032 1.00 0.00 C ATOM 1986 C GLU A 121 4.365 4.462 2.343 1.00 0.00 C ATOM 1987 O GLU A 121 4.389 3.263 2.617 1.00 0.00 O ATOM 1988 CB GLU A 121 4.006 6.081 4.243 1.00 0.00 C ATOM 1989 CG GLU A 121 4.376 7.530 3.921 1.00 0.00 C ATOM 1990 CD GLU A 121 3.837 8.484 4.989 1.00 0.00 C ATOM 1991 OE1 GLU A 121 2.615 8.743 4.954 1.00 0.00 O ATOM 1992 OE2 GLU A 121 4.660 8.932 5.817 1.00 0.00 O ATOM 0 H GLU A 121 1.420 4.686 2.731 1.00 0.00 H new ATOM 0 HA GLU A 121 3.080 6.174 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.314 6.057 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.898 5.533 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.460 7.626 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.972 7.804 2.946 1.00 0.00 H new ATOM 1999 N PRO A 122 5.184 5.061 1.438 1.00 0.00 N ATOM 2000 CA PRO A 122 6.180 4.296 0.708 1.00 0.00 C ATOM 2001 C PRO A 122 7.369 3.946 1.605 1.00 0.00 C ATOM 2002 O PRO A 122 7.887 2.832 1.548 1.00 0.00 O ATOM 2003 CB PRO A 122 6.564 5.174 -0.472 1.00 0.00 C ATOM 2004 CG PRO A 122 6.119 6.581 -0.106 1.00 0.00 C ATOM 2005 CD PRO A 122 5.184 6.479 1.088 1.00 0.00 C ATOM 0 HA PRO A 122 5.802 3.333 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.638 5.138 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.076 4.835 -1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.981 7.203 0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.612 7.052 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.534 7.092 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.181 6.825 0.837 1.00 0.00 H new ATOM 2013 N ALA A 123 7.767 4.919 2.411 1.00 0.00 N ATOM 2014 CA ALA A 123 8.885 4.728 3.319 1.00 0.00 C ATOM 2015 C ALA A 123 8.588 3.549 4.247 1.00 0.00 C ATOM 2016 O ALA A 123 9.507 2.909 4.757 1.00 0.00 O ATOM 2017 CB ALA A 123 9.145 6.025 4.089 1.00 0.00 C ATOM 0 H ALA A 123 7.335 5.842 2.454 1.00 0.00 H new ATOM 0 HA ALA A 123 9.793 4.490 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.984 5.882 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.381 6.824 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.256 6.294 4.660 1.00 0.00 H new ATOM 2023 N ASP A 124 7.302 3.297 4.438 1.00 0.00 N ATOM 2024 CA ASP A 124 6.872 2.205 5.295 1.00 0.00 C ATOM 2025 C ASP A 124 7.545 0.909 4.840 1.00 0.00 C ATOM 2026 O ASP A 124 7.978 0.107 5.665 1.00 0.00 O ATOM 2027 CB ASP A 124 5.357 2.005 5.214 1.00 0.00 C ATOM 2028 CG ASP A 124 4.891 1.028 4.133 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.351 1.193 2.982 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.085 0.138 4.481 1.00 0.00 O ATOM 0 H ASP A 124 6.543 3.830 4.014 1.00 0.00 H new ATOM 0 HA ASP A 124 7.149 2.452 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.000 1.651 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 124 4.887 2.972 5.036 1.00 0.00 H new ATOM 2035 N ILE A 125 7.613 0.745 3.527 1.00 0.00 N ATOM 2036 CA ILE A 125 8.227 -0.440 2.952 1.00 0.00 C ATOM 2037 C ILE A 125 9.645 -0.594 3.504 1.00 0.00 C ATOM 2038 O ILE A 125 9.973 -1.616 4.106 1.00 0.00 O ATOM 2039 CB ILE A 125 8.164 -0.388 1.424 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.901 -1.076 0.903 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.433 -0.975 0.803 1.00 0.00 C ATOM 2042 CD1 ILE A 125 6.957 -1.248 -0.617 1.00 0.00 C ATOM 0 H ILE A 125 7.253 1.413 2.845 1.00 0.00 H new ATOM 0 HA ILE A 125 7.674 -1.334 3.241 1.00 0.00 H new ATOM 0 HB ILE A 125 8.110 0.657 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.791 -2.050 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.024 -0.488 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.363 -0.926 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.299 -0.404 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.543 -2.014 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.047 -1.740 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.043 -0.270 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.821 -1.857 -0.883 1.00 0.00 H new ATOM 2054 N ASP A 126 10.448 0.435 3.280 1.00 0.00 N ATOM 2055 CA ASP A 126 11.824 0.427 3.748 1.00 0.00 C ATOM 2056 C ASP A 126 11.857 -0.018 5.212 1.00 0.00 C ATOM 2057 O ASP A 126 12.704 -0.821 5.601 1.00 0.00 O ATOM 2058 CB ASP A 126 12.442 1.824 3.665 1.00 0.00 C ATOM 2059 CG ASP A 126 13.651 2.052 4.575 1.00 0.00 C ATOM 2060 OD1 ASP A 126 13.418 2.265 5.784 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.780 2.008 4.041 1.00 0.00 O ATOM 0 H ASP A 126 10.172 1.281 2.780 1.00 0.00 H new ATOM 0 HA ASP A 126 12.391 -0.257 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.742 2.011 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.676 2.559 3.913 1.00 0.00 H new ATOM 2066 N LYS A 127 10.926 0.523 5.983 1.00 0.00 N ATOM 2067 CA LYS A 127 10.838 0.192 7.395 1.00 0.00 C ATOM 2068 C LYS A 127 10.915 -1.327 7.564 1.00 0.00 C ATOM 2069 O LYS A 127 11.769 -1.832 8.290 1.00 0.00 O ATOM 2070 CB LYS A 127 9.587 0.817 8.016 1.00 0.00 C ATOM 2071 CG LYS A 127 9.914 2.158 8.676 1.00 0.00 C ATOM 2072 CD LYS A 127 10.657 3.080 7.707 1.00 0.00 C ATOM 2073 CE LYS A 127 9.763 4.238 7.259 1.00 0.00 C ATOM 2074 NZ LYS A 127 9.736 5.300 8.289 1.00 0.00 N ATOM 0 H LYS A 127 10.225 1.189 5.657 1.00 0.00 H new ATOM 0 HA LYS A 127 11.682 0.617 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.828 0.962 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.165 0.137 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.993 2.639 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.523 1.991 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.553 3.472 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.985 2.511 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.131 4.646 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.752 3.875 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.125 6.078 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.364 4.911 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 10.700 5.658 8.444 1.00 0.00 H new ATOM 2088 N TYR A 128 10.010 -2.013 6.880 1.00 0.00 N ATOM 2089 CA TYR A 128 9.965 -3.464 6.945 1.00 0.00 C ATOM 2090 C TYR A 128 10.816 -4.089 5.838 1.00 0.00 C ATOM 2091 O TYR A 128 11.923 -4.561 6.093 1.00 0.00 O ATOM 2092 CB TYR A 128 8.501 -3.850 6.726 1.00 0.00 C ATOM 2093 CG TYR A 128 7.501 -2.787 7.186 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.188 -2.669 8.526 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.912 -1.947 6.263 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.248 -1.669 8.959 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.972 -0.947 6.697 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.686 -0.857 8.024 1.00 0.00 C ATOM 2099 OH TYR A 128 4.797 0.087 8.434 1.00 0.00 O ATOM 0 H TYR A 128 9.303 -1.591 6.278 1.00 0.00 H new ATOM 0 HA TYR A 128 10.353 -3.818 7.900 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.343 -4.048 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.298 -4.780 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.648 -3.327 9.248 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.156 -2.040 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.994 -1.566 10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.504 -0.283 5.985 1.00 0.00 H new ATOM 0 HH TYR A 128 5.196 0.977 8.337 1.00 0.00 H new ATOM 2109 N ILE A 129 10.267 -4.072 4.632 1.00 0.00 N ATOM 2110 CA ILE A 129 10.963 -4.632 3.486 1.00 0.00 C ATOM 2111 C ILE A 129 11.176 -3.536 2.439 1.00 0.00 C ATOM 2112 O ILE A 129 10.292 -3.267 1.628 1.00 0.00 O ATOM 2113 CB ILE A 129 10.216 -5.855 2.951 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.703 -5.679 3.092 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.709 -7.137 3.627 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.217 -4.462 2.301 1.00 0.00 C ATOM 0 H ILE A 129 9.349 -3.679 4.424 1.00 0.00 H new ATOM 0 HA ILE A 129 11.950 -4.992 3.778 1.00 0.00 H new ATOM 0 HB ILE A 129 10.431 -5.948 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.194 -6.575 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.443 -5.561 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.162 -7.992 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.774 -7.265 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.543 -7.069 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.138 -4.359 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.710 -3.565 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.457 -4.594 1.246 1.00 0.00 H new ATOM 2128 N ILE A 130 12.354 -2.933 2.492 1.00 0.00 N ATOM 2129 CA ILE A 130 12.695 -1.872 1.559 1.00 0.00 C ATOM 2130 C ILE A 130 12.633 -2.417 0.131 1.00 0.00 C ATOM 2131 O ILE A 130 11.981 -3.428 -0.124 1.00 0.00 O ATOM 2132 CB ILE A 130 14.045 -1.252 1.923 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.192 -1.985 1.224 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.236 -1.205 3.440 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.048 -3.500 1.377 1.00 0.00 C ATOM 0 H ILE A 130 13.085 -3.159 3.167 1.00 0.00 H new ATOM 0 HA ILE A 130 11.971 -1.060 1.623 1.00 0.00 H new ATOM 0 HB ILE A 130 14.055 -0.223 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.205 -1.722 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 130 16.144 -1.662 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.204 -0.760 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.444 -0.605 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.197 -2.217 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 130 15.876 -3.997 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.060 -3.762 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.106 -3.823 0.934 1.00 0.00 H new ATOM 2147 N GLN A 131 13.321 -1.722 -0.764 1.00 0.00 N ATOM 2148 CA GLN A 131 13.353 -2.123 -2.160 1.00 0.00 C ATOM 2149 C GLN A 131 13.788 -3.584 -2.282 1.00 0.00 C ATOM 2150 O GLN A 131 13.189 -4.353 -3.033 1.00 0.00 O ATOM 2151 CB GLN A 131 14.270 -1.207 -2.973 1.00 0.00 C ATOM 2152 CG GLN A 131 14.249 0.220 -2.421 1.00 0.00 C ATOM 2153 CD GLN A 131 15.459 0.479 -1.521 1.00 0.00 C ATOM 2154 OE1 GLN A 131 16.273 -0.393 -1.267 1.00 0.00 O ATOM 2155 NE2 GLN A 131 15.530 1.722 -1.055 1.00 0.00 N ATOM 0 H GLN A 131 13.861 -0.884 -0.549 1.00 0.00 H new ATOM 0 HA GLN A 131 12.347 -2.029 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.289 -1.594 -2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.953 -1.202 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.246 0.933 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.331 0.382 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.814 2.403 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 131 16.301 1.995 -0.445 1.00 0.00 H new ATOM 2164 N ARG A 132 14.827 -3.924 -1.534 1.00 0.00 N ATOM 2165 CA ARG A 132 15.350 -5.279 -1.549 1.00 0.00 C ATOM 2166 C ARG A 132 15.099 -5.960 -0.203 1.00 0.00 C ATOM 2167 O ARG A 132 15.895 -5.822 0.725 1.00 0.00 O ATOM 2168 CB ARG A 132 16.851 -5.288 -1.846 1.00 0.00 C ATOM 2169 CG ARG A 132 17.379 -6.719 -1.959 1.00 0.00 C ATOM 2170 CD ARG A 132 18.210 -7.096 -0.730 1.00 0.00 C ATOM 2171 NE ARG A 132 19.293 -6.107 -0.529 1.00 0.00 N ATOM 2172 CZ ARG A 132 20.248 -6.219 0.404 1.00 0.00 C ATOM 2173 NH1 ARG A 132 20.260 -7.277 1.227 1.00 0.00 N ATOM 2174 NH2 ARG A 132 21.191 -5.274 0.514 1.00 0.00 N ATOM 0 H ARG A 132 15.321 -3.283 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 132 14.833 -5.825 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.045 -4.751 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.385 -4.761 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.544 -7.411 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.988 -6.816 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 132 17.572 -7.134 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.635 -8.092 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 132 19.313 -5.290 -1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.542 -7.997 1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 132 20.987 -7.362 1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 132 21.182 -4.469 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.918 -5.359 1.224 1.00 0.00 H new ATOM 2188 N LYS A 133 13.989 -6.681 -0.137 1.00 0.00 N ATOM 2189 CA LYS A 133 13.623 -7.384 1.081 1.00 0.00 C ATOM 2190 C LYS A 133 12.315 -8.143 0.853 1.00 0.00 C ATOM 2191 O LYS A 133 12.284 -9.371 0.928 1.00 0.00 O ATOM 2192 CB LYS A 133 13.574 -6.415 2.264 1.00 0.00 C ATOM 2193 CG LYS A 133 14.188 -7.046 3.515 1.00 0.00 C ATOM 2194 CD LYS A 133 13.604 -8.437 3.771 1.00 0.00 C ATOM 2195 CE LYS A 133 14.558 -9.286 4.613 1.00 0.00 C ATOM 2196 NZ LYS A 133 15.061 -8.509 5.768 1.00 0.00 N ATOM 0 H LYS A 133 13.331 -6.793 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 133 14.381 -8.125 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.111 -5.501 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 133 12.541 -6.132 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.269 -7.118 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.003 -6.406 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.646 -8.345 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 133 13.411 -8.935 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.044 -10.180 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.395 -9.620 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 15.162 -9.137 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 15.986 -8.096 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.389 -7.748 5.994 1.00 0.00 H new TER 2210 LYS A 133