USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 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 89 THR OG1 : rot -90:sc= 1.35 USER MOD Set 1.2: A 97 CYS SG : rot 99:sc= -1.12! USER MOD Set 2.1: A 48 ASN : amide:sc= -6.12! C(o=-7.6!,f=-11!) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.48 K(o=-7.6,f=-6) USER MOD Set 3.1: A 10 GLN : amide:sc= 0.14 K(o=-0.27,f=-15!) USER MOD Set 3.2: A 133 LYS NZ :NH3+ -111:sc= -0.411! (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc=-0.000612 (180deg=-0.257) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= -0.895 (180deg=-1.22) USER MOD Single : A 6 THR OG1 : rot 120:sc= -1.65! USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.46) 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 18 THR OG1 : rot 80:sc= -0.252 USER MOD Single : A 19 ASN : amide:sc= -4.38! C(o=-4.4!,f=-13!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.903 USER MOD Single : A 28 GLN : amide:sc= -6.43! C(o=-6.4!,f=-5.3!) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= -10.2! (180deg=-15!) USER MOD Single : A 30 CYS SG : rot -51:sc= -6.12! USER MOD Single : A 32 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 73:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.19) USER MOD Single : A 52 THR OG1 : rot -140:sc= 2.15 USER MOD Single : A 55 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= -4.36! C(o=-4.4!,f=-5.2!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -122:sc= -5.45! (180deg=-12.4!) USER MOD Single : A 61 THR OG1 : rot 64:sc= 1.05 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 23:sc= 0.676 USER MOD Single : A 65 GLN : amide:sc= -0.862 X(o=-0.86,f=-0.97) USER MOD Single : A 69 SER OG : rot -70:sc= 2.05 USER MOD Single : A 71 GLN : amide:sc= -3.96! C(o=-4!,f=-11!) USER MOD Single : A 73 GLN : amide:sc= -10.6! C(o=-11!,f=-17!) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -1.6! (180deg=-2.93!) USER MOD Single : A 79 SER OG : rot 40:sc= -2.69 USER MOD Single : A 82 LYS NZ :NH3+ 133:sc= -0.517 (180deg=-1.08) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -26.4! C(o=-26!,f=-22!) USER MOD Single : A 86 THR OG1 : rot -61:sc= -6.44! USER MOD Single : A 92 MET CE :methyl -146:sc= -15.7! (180deg=-21.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.74 K(o=-2.7,f=-5.8!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -26.7! C(o=-27!,f=-36!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.723 K(o=-0.72,f=-7.1!) USER MOD Single : A 127 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0437) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -8.37! K(o=-8.4!,f=-3.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.750 -15.026 13.771 1.00 0.00 N ATOM 2 CA MET A 1 18.197 -13.684 13.842 1.00 0.00 C ATOM 3 C MET A 1 18.710 -12.817 12.690 1.00 0.00 C ATOM 4 O MET A 1 19.789 -12.233 12.781 1.00 0.00 O ATOM 5 CB MET A 1 18.583 -13.042 15.176 1.00 0.00 C ATOM 6 CG MET A 1 17.798 -13.664 16.332 1.00 0.00 C ATOM 7 SD MET A 1 18.448 -13.089 17.891 1.00 0.00 S ATOM 8 CE MET A 1 16.962 -12.418 18.618 1.00 0.00 C ATOM 0 H1 MET A 1 18.176 -15.669 14.353 1.00 0.00 H new ATOM 0 H2 MET A 1 18.742 -15.353 12.784 1.00 0.00 H new ATOM 0 H3 MET A 1 19.728 -15.018 14.125 1.00 0.00 H new ATOM 0 HA MET A 1 17.112 -13.754 13.763 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.652 -13.168 15.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.391 -11.970 15.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.743 -13.401 16.249 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.860 -14.751 16.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.190 -12.013 19.604 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.572 -11.624 17.981 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.216 -13.207 18.713 1.00 0.00 H new ATOM 18 N SER A 2 17.913 -12.761 11.633 1.00 0.00 N ATOM 19 CA SER A 2 18.274 -11.976 10.465 1.00 0.00 C ATOM 20 C SER A 2 17.070 -11.159 9.992 1.00 0.00 C ATOM 21 O SER A 2 16.237 -11.654 9.235 1.00 0.00 O ATOM 22 CB SER A 2 18.784 -12.872 9.335 1.00 0.00 C ATOM 23 OG SER A 2 20.205 -12.851 9.236 1.00 0.00 O ATOM 0 H SER A 2 17.019 -13.246 11.561 1.00 0.00 H new ATOM 0 HA SER A 2 19.079 -11.297 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.448 -13.895 9.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.350 -12.546 8.390 1.00 0.00 H new ATOM 0 HG SER A 2 20.491 -13.437 8.504 1.00 0.00 H new ATOM 29 N PHE A 3 17.017 -9.920 10.459 1.00 0.00 N ATOM 30 CA PHE A 3 15.929 -9.028 10.093 1.00 0.00 C ATOM 31 C PHE A 3 16.333 -7.565 10.279 1.00 0.00 C ATOM 32 O PHE A 3 15.824 -6.884 11.168 1.00 0.00 O ATOM 33 CB PHE A 3 14.759 -9.344 11.027 1.00 0.00 C ATOM 34 CG PHE A 3 15.162 -9.521 12.492 1.00 0.00 C ATOM 35 CD1 PHE A 3 15.604 -10.728 12.935 1.00 0.00 C ATOM 36 CD2 PHE A 3 15.079 -8.470 13.352 1.00 0.00 C ATOM 37 CE1 PHE A 3 15.979 -10.892 14.295 1.00 0.00 C ATOM 38 CE2 PHE A 3 15.454 -8.634 14.712 1.00 0.00 C ATOM 39 CZ PHE A 3 15.896 -9.842 15.155 1.00 0.00 C ATOM 0 H PHE A 3 17.710 -9.513 11.087 1.00 0.00 H new ATOM 0 HA PHE A 3 15.665 -9.173 9.046 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.025 -8.541 10.957 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.269 -10.255 10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 3 15.670 -11.562 12.252 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.728 -7.511 13.000 1.00 0.00 H new ATOM 0 HE1 PHE A 3 16.330 -11.851 14.646 1.00 0.00 H new ATOM 0 HE2 PHE A 3 15.388 -7.800 15.395 1.00 0.00 H new ATOM 0 HZ PHE A 3 16.181 -9.967 16.189 1.00 0.00 H new ATOM 49 N TRP A 4 17.246 -7.123 9.426 1.00 0.00 N ATOM 50 CA TRP A 4 17.725 -5.753 9.485 1.00 0.00 C ATOM 51 C TRP A 4 16.675 -4.856 8.826 1.00 0.00 C ATOM 52 O TRP A 4 16.386 -3.767 9.319 1.00 0.00 O ATOM 53 CB TRP A 4 19.107 -5.626 8.841 1.00 0.00 C ATOM 54 CG TRP A 4 20.269 -5.828 9.817 1.00 0.00 C ATOM 55 CD1 TRP A 4 20.822 -6.983 10.213 1.00 0.00 C ATOM 56 CD2 TRP A 4 21.001 -4.794 10.507 1.00 0.00 C ATOM 57 NE1 TRP A 4 21.854 -6.769 11.105 1.00 0.00 N ATOM 58 CE2 TRP A 4 21.966 -5.396 11.289 1.00 0.00 C ATOM 59 CE3 TRP A 4 20.854 -3.397 10.472 1.00 0.00 C ATOM 60 CZ2 TRP A 4 22.858 -4.678 12.095 1.00 0.00 C ATOM 61 CZ3 TRP A 4 21.753 -2.693 11.283 1.00 0.00 C ATOM 62 CH2 TRP A 4 22.729 -3.284 12.076 1.00 0.00 C ATOM 0 H TRP A 4 17.667 -7.690 8.690 1.00 0.00 H new ATOM 0 HA TRP A 4 17.856 -5.435 10.519 1.00 0.00 H new ATOM 0 HB2 TRP A 4 19.190 -6.357 8.037 1.00 0.00 H new ATOM 0 HB3 TRP A 4 19.195 -4.639 8.386 1.00 0.00 H new ATOM 0 HD1 TRP A 4 20.501 -7.958 9.877 1.00 0.00 H new ATOM 0 HE1 TRP A 4 22.428 -7.486 11.547 1.00 0.00 H new ATOM 0 HE3 TRP A 4 20.107 -2.905 9.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 23.605 -5.173 12.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 21.683 -1.615 11.293 1.00 0.00 H new ATOM 0 HH2 TRP A 4 23.385 -2.671 12.675 1.00 0.00 H new ATOM 73 N LYS A 5 16.132 -5.348 7.722 1.00 0.00 N ATOM 74 CA LYS A 5 15.120 -4.605 6.990 1.00 0.00 C ATOM 75 C LYS A 5 13.799 -4.657 7.760 1.00 0.00 C ATOM 76 O LYS A 5 13.147 -3.632 7.952 1.00 0.00 O ATOM 77 CB LYS A 5 15.014 -5.117 5.552 1.00 0.00 C ATOM 78 CG LYS A 5 16.218 -4.669 4.721 1.00 0.00 C ATOM 79 CD LYS A 5 15.898 -3.398 3.932 1.00 0.00 C ATOM 80 CE LYS A 5 15.760 -2.194 4.865 1.00 0.00 C ATOM 81 NZ LYS A 5 16.987 -2.022 5.674 1.00 0.00 N ATOM 0 H LYS A 5 16.374 -6.252 7.317 1.00 0.00 H new ATOM 0 HA LYS A 5 15.402 -3.555 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.953 -6.205 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.095 -4.747 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.070 -4.489 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.506 -5.465 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.687 -3.210 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.973 -3.536 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.573 -1.293 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.901 -2.332 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.021 -1.054 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.982 -2.701 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.822 -2.190 5.078 1.00 0.00 H new ATOM 95 N THR A 6 13.444 -5.862 8.181 1.00 0.00 N ATOM 96 CA THR A 6 12.212 -6.061 8.926 1.00 0.00 C ATOM 97 C THR A 6 12.470 -5.928 10.428 1.00 0.00 C ATOM 98 O THR A 6 13.462 -5.329 10.841 1.00 0.00 O ATOM 99 CB THR A 6 11.633 -7.420 8.527 1.00 0.00 C ATOM 100 OG1 THR A 6 12.120 -7.631 7.205 1.00 0.00 O ATOM 101 CG2 THR A 6 10.112 -7.382 8.362 1.00 0.00 C ATOM 0 H THR A 6 13.987 -6.710 8.021 1.00 0.00 H new ATOM 0 HA THR A 6 11.476 -5.294 8.685 1.00 0.00 H new ATOM 0 HB THR A 6 11.899 -8.163 9.279 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.661 -8.448 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.752 -8.371 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.651 -7.084 9.304 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.848 -6.664 7.586 1.00 0.00 H new ATOM 109 N LEU A 7 11.560 -6.496 11.205 1.00 0.00 N ATOM 110 CA LEU A 7 11.676 -6.448 12.653 1.00 0.00 C ATOM 111 C LEU A 7 11.188 -7.773 13.243 1.00 0.00 C ATOM 112 O LEU A 7 11.952 -8.486 13.893 1.00 0.00 O ATOM 113 CB LEU A 7 10.949 -5.222 13.209 1.00 0.00 C ATOM 114 CG LEU A 7 10.890 -4.002 12.287 1.00 0.00 C ATOM 115 CD1 LEU A 7 9.891 -4.223 11.149 1.00 0.00 C ATOM 116 CD2 LEU A 7 10.584 -2.730 13.080 1.00 0.00 C ATOM 0 H LEU A 7 10.739 -6.992 10.859 1.00 0.00 H new ATOM 0 HA LEU A 7 12.719 -6.332 12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.929 -5.512 13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.435 -4.927 14.139 1.00 0.00 H new ATOM 0 HG LEU A 7 11.872 -3.869 11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.868 -3.341 10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.194 -5.090 10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.898 -4.395 11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.548 -1.878 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.622 -2.836 13.581 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.364 -2.568 13.824 1.00 0.00 H new ATOM 128 N GLN A 8 9.919 -8.062 12.997 1.00 0.00 N ATOM 129 CA GLN A 8 9.320 -9.288 13.496 1.00 0.00 C ATOM 130 C GLN A 8 8.974 -10.221 12.334 1.00 0.00 C ATOM 131 O GLN A 8 8.335 -9.806 11.369 1.00 0.00 O ATOM 132 CB GLN A 8 8.083 -8.988 14.346 1.00 0.00 C ATOM 133 CG GLN A 8 8.114 -9.776 15.657 1.00 0.00 C ATOM 134 CD GLN A 8 6.841 -9.535 16.471 1.00 0.00 C ATOM 135 OE1 GLN A 8 6.246 -8.471 16.441 1.00 0.00 O ATOM 136 NE2 GLN A 8 6.457 -10.582 17.197 1.00 0.00 N ATOM 0 H GLN A 8 9.289 -7.468 12.458 1.00 0.00 H new ATOM 0 HA GLN A 8 10.046 -9.790 14.135 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.035 -7.920 14.560 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.183 -9.242 13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.218 -10.840 15.444 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.985 -9.482 16.242 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.002 -11.444 17.176 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.618 -10.522 17.774 1.00 0.00 H new ATOM 145 N ARG A 9 9.412 -11.465 12.466 1.00 0.00 N ATOM 146 CA ARG A 9 9.156 -12.460 11.439 1.00 0.00 C ATOM 147 C ARG A 9 9.758 -12.013 10.105 1.00 0.00 C ATOM 148 O ARG A 9 9.805 -10.820 9.810 1.00 0.00 O ATOM 149 CB ARG A 9 7.655 -12.695 11.260 1.00 0.00 C ATOM 150 CG ARG A 9 7.353 -14.181 11.058 1.00 0.00 C ATOM 151 CD ARG A 9 6.048 -14.575 11.754 1.00 0.00 C ATOM 152 NE ARG A 9 4.954 -14.669 10.762 1.00 0.00 N ATOM 153 CZ ARG A 9 3.654 -14.730 11.081 1.00 0.00 C ATOM 154 NH1 ARG A 9 3.278 -14.707 12.367 1.00 0.00 N ATOM 155 NH2 ARG A 9 2.730 -14.814 10.114 1.00 0.00 N ATOM 0 H ARG A 9 9.942 -11.806 13.268 1.00 0.00 H new ATOM 0 HA ARG A 9 9.622 -13.392 11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.119 -12.327 12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.294 -12.127 10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.281 -14.400 9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.174 -14.780 11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.172 -15.531 12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.796 -13.838 12.517 1.00 0.00 H new ATOM 0 HE ARG A 9 5.205 -14.689 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.981 -14.643 13.103 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.288 -14.753 12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.016 -14.832 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.740 -14.860 10.357 1.00 0.00 H new ATOM 169 N GLN A 10 10.203 -12.995 9.334 1.00 0.00 N ATOM 170 CA GLN A 10 10.799 -12.717 8.038 1.00 0.00 C ATOM 171 C GLN A 10 9.709 -12.505 6.986 1.00 0.00 C ATOM 172 O GLN A 10 8.820 -13.341 6.831 1.00 0.00 O ATOM 173 CB GLN A 10 11.752 -13.839 7.622 1.00 0.00 C ATOM 174 CG GLN A 10 13.196 -13.499 7.995 1.00 0.00 C ATOM 175 CD GLN A 10 13.997 -13.077 6.761 1.00 0.00 C ATOM 176 OE1 GLN A 10 13.719 -13.477 5.643 1.00 0.00 O ATOM 177 NE2 GLN A 10 15.003 -12.249 7.027 1.00 0.00 N ATOM 0 H GLN A 10 10.163 -13.984 9.582 1.00 0.00 H new ATOM 0 HA GLN A 10 11.382 -11.800 8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.457 -14.770 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.679 -14.003 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.205 -12.695 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.668 -14.364 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.180 -11.954 7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.597 -11.909 6.271 1.00 0.00 H new ATOM 186 N PRO A 11 9.815 -11.352 6.273 1.00 0.00 N ATOM 187 CA PRO A 11 8.848 -11.019 5.240 1.00 0.00 C ATOM 188 C PRO A 11 9.079 -11.860 3.983 1.00 0.00 C ATOM 189 O PRO A 11 10.192 -11.912 3.461 1.00 0.00 O ATOM 190 CB PRO A 11 9.027 -9.529 5.000 1.00 0.00 C ATOM 191 CG PRO A 11 10.393 -9.176 5.565 1.00 0.00 C ATOM 192 CD PRO A 11 10.854 -10.339 6.430 1.00 0.00 C ATOM 0 HA PRO A 11 7.822 -11.240 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.972 -9.296 3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.241 -8.957 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.104 -8.994 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.338 -8.260 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.825 -10.714 6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.961 -10.039 7.473 1.00 0.00 H new ATOM 200 N ARG A 12 8.008 -12.497 3.531 1.00 0.00 N ATOM 201 CA ARG A 12 8.080 -13.332 2.345 1.00 0.00 C ATOM 202 C ARG A 12 7.394 -12.639 1.166 1.00 0.00 C ATOM 203 O ARG A 12 8.059 -12.172 0.243 1.00 0.00 O ATOM 204 CB ARG A 12 7.416 -14.690 2.586 1.00 0.00 C ATOM 205 CG ARG A 12 8.464 -15.774 2.847 1.00 0.00 C ATOM 206 CD ARG A 12 8.788 -16.543 1.565 1.00 0.00 C ATOM 207 NE ARG A 12 8.816 -17.997 1.840 1.00 0.00 N ATOM 208 CZ ARG A 12 9.871 -18.644 2.352 1.00 0.00 C ATOM 209 NH1 ARG A 12 10.991 -17.971 2.647 1.00 0.00 N ATOM 210 NH2 ARG A 12 9.806 -19.965 2.568 1.00 0.00 N ATOM 0 H ARG A 12 7.086 -12.451 3.965 1.00 0.00 H new ATOM 0 HA ARG A 12 9.133 -13.491 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.739 -14.622 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.813 -14.963 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.372 -15.319 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.097 -16.464 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.042 -16.323 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.752 -16.220 1.171 1.00 0.00 H new ATOM 0 HE ARG A 12 7.980 -18.540 1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.040 -16.966 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.794 -18.464 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.953 -20.477 2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.609 -20.458 2.958 1.00 0.00 H new ATOM 224 N THR A 13 6.071 -12.594 1.235 1.00 0.00 N ATOM 225 CA THR A 13 5.288 -11.966 0.184 1.00 0.00 C ATOM 226 C THR A 13 5.034 -10.495 0.516 1.00 0.00 C ATOM 227 O THR A 13 4.403 -10.182 1.525 1.00 0.00 O ATOM 228 CB THR A 13 4.004 -12.779 0.002 1.00 0.00 C ATOM 229 OG1 THR A 13 4.433 -13.960 -0.670 1.00 0.00 O ATOM 230 CG2 THR A 13 3.031 -12.124 -0.981 1.00 0.00 C ATOM 0 H THR A 13 5.522 -12.982 2.002 1.00 0.00 H new ATOM 0 HA THR A 13 5.826 -11.964 -0.764 1.00 0.00 H new ATOM 0 HB THR A 13 3.515 -12.906 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.663 -14.545 -0.826 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.137 -12.741 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.753 -11.136 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.508 -12.028 -1.956 1.00 0.00 H new ATOM 238 N ILE A 14 5.537 -9.630 -0.352 1.00 0.00 N ATOM 239 CA ILE A 14 5.373 -8.199 -0.164 1.00 0.00 C ATOM 240 C ILE A 14 4.165 -7.718 -0.970 1.00 0.00 C ATOM 241 O ILE A 14 4.188 -7.736 -2.200 1.00 0.00 O ATOM 242 CB ILE A 14 6.670 -7.461 -0.501 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.884 -8.196 0.072 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.610 -6.005 -0.037 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.909 -8.104 1.599 1.00 0.00 C ATOM 0 H ILE A 14 6.059 -9.893 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 14 5.169 -7.974 0.883 1.00 0.00 H new ATOM 0 HB ILE A 14 6.783 -7.448 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.858 -9.242 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.799 -7.768 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.545 -5.504 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.782 -5.499 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.461 -5.973 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.781 -8.634 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.960 -7.058 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.004 -8.555 2.006 1.00 0.00 H new ATOM 257 N SER A 15 3.138 -7.300 -0.245 1.00 0.00 N ATOM 258 CA SER A 15 1.923 -6.815 -0.877 1.00 0.00 C ATOM 259 C SER A 15 1.923 -5.286 -0.908 1.00 0.00 C ATOM 260 O SER A 15 1.588 -4.642 0.086 1.00 0.00 O ATOM 261 CB SER A 15 0.680 -7.332 -0.150 1.00 0.00 C ATOM 262 OG SER A 15 -0.206 -8.020 -1.029 1.00 0.00 O ATOM 0 H SER A 15 3.122 -7.287 0.775 1.00 0.00 H new ATOM 0 HA SER A 15 1.896 -7.192 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.983 -8.001 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.156 -6.495 0.311 1.00 0.00 H new ATOM 0 HG SER A 15 -0.986 -8.336 -0.526 1.00 0.00 H new ATOM 268 N LEU A 16 2.301 -4.749 -2.058 1.00 0.00 N ATOM 269 CA LEU A 16 2.349 -3.307 -2.231 1.00 0.00 C ATOM 270 C LEU A 16 1.188 -2.865 -3.124 1.00 0.00 C ATOM 271 O LEU A 16 0.963 -3.443 -4.186 1.00 0.00 O ATOM 272 CB LEU A 16 3.722 -2.874 -2.749 1.00 0.00 C ATOM 273 CG LEU A 16 4.414 -1.757 -1.966 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.492 -0.547 -1.806 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.926 -2.269 -0.618 1.00 0.00 C ATOM 0 H LEU A 16 2.577 -5.286 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 16 2.223 -2.805 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.377 -3.745 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.612 -2.550 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 16 5.282 -1.427 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.008 0.232 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.218 -0.166 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.592 -0.844 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.414 -1.455 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.088 -2.642 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.641 -3.075 -0.783 1.00 0.00 H new ATOM 287 N PHE A 17 0.480 -1.846 -2.659 1.00 0.00 N ATOM 288 CA PHE A 17 -0.652 -1.321 -3.402 1.00 0.00 C ATOM 289 C PHE A 17 -0.291 -0.006 -4.096 1.00 0.00 C ATOM 290 O PHE A 17 0.552 0.746 -3.608 1.00 0.00 O ATOM 291 CB PHE A 17 -1.770 -1.060 -2.390 1.00 0.00 C ATOM 292 CG PHE A 17 -2.378 -2.331 -1.794 1.00 0.00 C ATOM 293 CD1 PHE A 17 -1.889 -3.550 -2.148 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.407 -2.242 -0.909 1.00 0.00 C ATOM 295 CE1 PHE A 17 -2.454 -4.729 -1.594 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.972 -3.421 -0.355 1.00 0.00 C ATOM 297 CZ PHE A 17 -3.483 -4.640 -0.710 1.00 0.00 C ATOM 0 H PHE A 17 0.669 -1.370 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.956 -2.034 -4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.378 -0.443 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.559 -0.485 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.071 -3.621 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.795 -1.274 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.066 -5.697 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.789 -3.350 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.912 -5.537 -0.289 1.00 0.00 H new ATOM 307 N THR A 18 -0.947 0.232 -5.222 1.00 0.00 N ATOM 308 CA THR A 18 -0.705 1.444 -5.987 1.00 0.00 C ATOM 309 C THR A 18 -1.845 2.442 -5.778 1.00 0.00 C ATOM 310 O THR A 18 -3.014 2.060 -5.759 1.00 0.00 O ATOM 311 CB THR A 18 -0.506 1.046 -7.451 1.00 0.00 C ATOM 312 OG1 THR A 18 0.893 0.794 -7.555 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.747 2.212 -8.412 1.00 0.00 C ATOM 0 H THR A 18 -1.646 -0.393 -5.623 1.00 0.00 H new ATOM 0 HA THR A 18 0.197 1.953 -5.648 1.00 0.00 H new ATOM 0 HB THR A 18 -1.179 0.226 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.091 -0.099 -7.204 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.593 1.876 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.769 2.572 -8.298 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.051 3.020 -8.186 1.00 0.00 H new ATOM 321 N ASN A 19 -1.465 3.703 -5.628 1.00 0.00 N ATOM 322 CA ASN A 19 -2.441 4.759 -5.421 1.00 0.00 C ATOM 323 C ASN A 19 -2.075 5.963 -6.293 1.00 0.00 C ATOM 324 O ASN A 19 -2.195 7.107 -5.859 1.00 0.00 O ATOM 325 CB ASN A 19 -2.454 5.219 -3.962 1.00 0.00 C ATOM 326 CG ASN A 19 -3.879 5.231 -3.404 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.843 4.930 -4.088 1.00 0.00 O ATOM 328 ND2 ASN A 19 -3.956 5.594 -2.127 1.00 0.00 N ATOM 0 H ASN A 19 -0.495 4.017 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.423 4.367 -5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.830 4.556 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.022 6.217 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.863 5.633 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.108 5.833 -1.613 1.00 0.00 H new ATOM 335 N ASP A 20 -1.637 5.662 -7.507 1.00 0.00 N ATOM 336 CA ASP A 20 -1.253 6.705 -8.443 1.00 0.00 C ATOM 337 C ASP A 20 -0.169 7.579 -7.810 1.00 0.00 C ATOM 338 O ASP A 20 0.001 7.578 -6.592 1.00 0.00 O ATOM 339 CB ASP A 20 -2.444 7.602 -8.786 1.00 0.00 C ATOM 340 CG ASP A 20 -2.098 9.074 -9.023 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.728 9.737 -8.030 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.210 9.502 -10.192 1.00 0.00 O ATOM 0 H ASP A 20 -1.540 4.711 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.889 6.226 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.929 7.210 -9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.171 7.541 -7.976 1.00 0.00 H new ATOM 347 N ILE A 21 0.535 8.305 -8.666 1.00 0.00 N ATOM 348 CA ILE A 21 1.598 9.182 -8.205 1.00 0.00 C ATOM 349 C ILE A 21 1.870 10.248 -9.268 1.00 0.00 C ATOM 350 O ILE A 21 1.348 11.359 -9.186 1.00 0.00 O ATOM 351 CB ILE A 21 2.835 8.369 -7.820 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.571 6.868 -7.961 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.317 8.736 -6.415 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.175 6.514 -9.396 1.00 0.00 C ATOM 0 H ILE A 21 0.390 8.304 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 21 1.294 9.705 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 21 3.638 8.621 -8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.463 6.310 -7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.777 6.569 -7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.197 8.144 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.571 9.795 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.526 8.531 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.993 5.442 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.269 7.055 -9.667 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.981 6.792 -10.075 1.00 0.00 H new ATOM 366 N ALA A 22 2.687 9.873 -10.242 1.00 0.00 N ATOM 367 CA ALA A 22 3.035 10.783 -11.319 1.00 0.00 C ATOM 368 C ALA A 22 2.846 10.073 -12.662 1.00 0.00 C ATOM 369 O ALA A 22 1.761 9.575 -12.957 1.00 0.00 O ATOM 370 CB ALA A 22 4.466 11.286 -11.122 1.00 0.00 C ATOM 0 H ALA A 22 3.118 8.951 -10.307 1.00 0.00 H new ATOM 0 HA ALA A 22 2.380 11.654 -11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.726 11.969 -11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.540 11.808 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.153 10.440 -11.126 1.00 0.00 H new ATOM 376 N SER A 23 3.919 10.050 -13.439 1.00 0.00 N ATOM 377 CA SER A 23 3.885 9.410 -14.742 1.00 0.00 C ATOM 378 C SER A 23 3.083 8.109 -14.666 1.00 0.00 C ATOM 379 O SER A 23 1.873 8.108 -14.888 1.00 0.00 O ATOM 380 CB SER A 23 5.299 9.132 -15.256 1.00 0.00 C ATOM 381 OG SER A 23 5.793 10.197 -16.064 1.00 0.00 O ATOM 0 H SER A 23 4.817 10.465 -13.191 1.00 0.00 H new ATOM 0 HA SER A 23 3.399 10.088 -15.443 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.969 8.979 -14.410 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.299 8.208 -15.834 1.00 0.00 H new ATOM 0 HG SER A 23 6.698 9.982 -16.371 1.00 0.00 H new ATOM 387 N ASN A 24 3.789 7.034 -14.350 1.00 0.00 N ATOM 388 CA ASN A 24 3.157 5.729 -14.241 1.00 0.00 C ATOM 389 C ASN A 24 2.513 5.593 -12.860 1.00 0.00 C ATOM 390 O ASN A 24 3.204 5.357 -11.870 1.00 0.00 O ATOM 391 CB ASN A 24 4.184 4.606 -14.398 1.00 0.00 C ATOM 392 CG ASN A 24 3.987 3.864 -15.721 1.00 0.00 C ATOM 393 OD1 ASN A 24 2.893 3.463 -16.082 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.106 3.704 -16.422 1.00 0.00 N ATOM 0 H ASN A 24 4.792 7.039 -14.166 1.00 0.00 H new ATOM 0 HA ASN A 24 2.411 5.648 -15.031 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.191 5.021 -14.356 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.093 3.906 -13.567 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.081 3.221 -17.320 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.989 4.065 -16.062 1.00 0.00 H new ATOM 401 N ILE A 25 1.198 5.748 -12.838 1.00 0.00 N ATOM 402 CA ILE A 25 0.453 5.645 -11.595 1.00 0.00 C ATOM 403 C ILE A 25 0.865 4.366 -10.863 1.00 0.00 C ATOM 404 O ILE A 25 1.048 4.374 -9.647 1.00 0.00 O ATOM 405 CB ILE A 25 -1.051 5.744 -11.861 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.521 7.199 -11.813 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.838 4.855 -10.897 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.831 8.034 -12.893 1.00 0.00 C ATOM 0 H ILE A 25 0.629 5.944 -13.661 1.00 0.00 H new ATOM 0 HA ILE A 25 0.692 6.481 -10.937 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.245 5.376 -12.869 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.601 7.241 -11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.309 7.621 -10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.904 4.944 -11.108 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.529 3.818 -11.024 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.643 5.169 -9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.183 9.064 -12.837 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.248 8.010 -12.738 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.065 7.624 -13.875 1.00 0.00 H new ATOM 420 N LYS A 26 0.998 3.297 -11.635 1.00 0.00 N ATOM 421 CA LYS A 26 1.384 2.013 -11.076 1.00 0.00 C ATOM 422 C LYS A 26 2.900 1.986 -10.871 1.00 0.00 C ATOM 423 O LYS A 26 3.377 1.763 -9.760 1.00 0.00 O ATOM 424 CB LYS A 26 0.861 0.869 -11.947 1.00 0.00 C ATOM 425 CG LYS A 26 0.890 1.251 -13.428 1.00 0.00 C ATOM 426 CD LYS A 26 -0.449 1.847 -13.867 1.00 0.00 C ATOM 427 CE LYS A 26 -0.239 3.112 -14.702 1.00 0.00 C ATOM 428 NZ LYS A 26 -1.016 3.038 -15.960 1.00 0.00 N ATOM 0 H LYS A 26 0.845 3.294 -12.643 1.00 0.00 H new ATOM 0 HA LYS A 26 0.926 1.871 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.467 -0.022 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.158 0.619 -11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.688 1.971 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.115 0.371 -14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.005 1.112 -14.448 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.052 2.082 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.545 3.988 -14.130 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.820 3.234 -14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.862 3.904 -16.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.705 2.214 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.028 2.944 -15.738 1.00 0.00 H new ATOM 442 N SER A 27 3.616 2.217 -11.962 1.00 0.00 N ATOM 443 CA SER A 27 5.069 2.223 -11.917 1.00 0.00 C ATOM 444 C SER A 27 5.556 3.245 -10.888 1.00 0.00 C ATOM 445 O SER A 27 6.095 2.873 -9.846 1.00 0.00 O ATOM 446 CB SER A 27 5.662 2.531 -13.293 1.00 0.00 C ATOM 447 OG SER A 27 6.789 1.709 -13.584 1.00 0.00 O ATOM 0 H SER A 27 3.217 2.401 -12.882 1.00 0.00 H new ATOM 0 HA SER A 27 5.406 1.230 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.899 2.385 -14.058 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.957 3.579 -13.334 1.00 0.00 H new ATOM 0 HG SER A 27 7.138 1.935 -14.471 1.00 0.00 H new ATOM 453 N GLN A 28 5.350 4.512 -11.216 1.00 0.00 N ATOM 454 CA GLN A 28 5.762 5.590 -10.333 1.00 0.00 C ATOM 455 C GLN A 28 5.450 5.233 -8.878 1.00 0.00 C ATOM 456 O GLN A 28 6.173 5.636 -7.968 1.00 0.00 O ATOM 457 CB GLN A 28 5.094 6.908 -10.729 1.00 0.00 C ATOM 458 CG GLN A 28 5.452 8.022 -9.743 1.00 0.00 C ATOM 459 CD GLN A 28 6.952 8.324 -9.778 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.491 8.811 -10.758 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.593 8.008 -8.656 1.00 0.00 N ATOM 0 H GLN A 28 4.903 4.816 -12.081 1.00 0.00 H new ATOM 0 HA GLN A 28 6.839 5.722 -10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.408 7.192 -11.733 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.012 6.777 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.890 8.923 -9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.160 7.728 -8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.080 7.603 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.597 8.171 -8.579 1.00 0.00 H new ATOM 470 N LYS A 29 4.374 4.481 -8.704 1.00 0.00 N ATOM 471 CA LYS A 29 3.958 4.065 -7.376 1.00 0.00 C ATOM 472 C LYS A 29 5.148 3.439 -6.646 1.00 0.00 C ATOM 473 O LYS A 29 5.893 4.134 -5.957 1.00 0.00 O ATOM 474 CB LYS A 29 2.736 3.148 -7.459 1.00 0.00 C ATOM 475 CG LYS A 29 1.586 3.688 -6.606 1.00 0.00 C ATOM 476 CD LYS A 29 1.981 3.749 -5.129 1.00 0.00 C ATOM 477 CE LYS A 29 2.574 5.115 -4.776 1.00 0.00 C ATOM 478 NZ LYS A 29 4.040 5.014 -4.604 1.00 0.00 N ATOM 0 H LYS A 29 3.777 4.149 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 29 3.641 4.927 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.413 3.059 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.005 2.147 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.307 4.683 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.709 3.051 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.107 3.556 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.707 2.966 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.343 5.833 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.119 5.490 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.343 5.641 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.296 4.032 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.513 5.298 -5.485 1.00 0.00 H new ATOM 492 N CYS A 30 5.289 2.133 -6.822 1.00 0.00 N ATOM 493 CA CYS A 30 6.376 1.406 -6.189 1.00 0.00 C ATOM 494 C CYS A 30 7.539 1.323 -7.179 1.00 0.00 C ATOM 495 O CYS A 30 8.689 1.558 -6.812 1.00 0.00 O ATOM 496 CB CYS A 30 5.929 0.021 -5.715 1.00 0.00 C ATOM 497 SG CYS A 30 4.257 0.121 -4.979 1.00 0.00 S ATOM 0 H CYS A 30 4.669 1.560 -7.394 1.00 0.00 H new ATOM 0 HA CYS A 30 6.700 1.937 -5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.925 -0.676 -6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.636 -0.367 -4.981 1.00 0.00 H new ATOM 0 HG CYS A 30 4.230 1.069 -4.090 1.00 0.00 H new ATOM 503 N LEU A 31 7.199 0.987 -8.415 1.00 0.00 N ATOM 504 CA LEU A 31 8.201 0.869 -9.460 1.00 0.00 C ATOM 505 C LEU A 31 9.278 1.935 -9.251 1.00 0.00 C ATOM 506 O LEU A 31 10.466 1.665 -9.423 1.00 0.00 O ATOM 507 CB LEU A 31 7.544 0.922 -10.841 1.00 0.00 C ATOM 508 CG LEU A 31 6.965 -0.396 -11.359 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.047 -1.474 -11.445 1.00 0.00 C ATOM 510 CD2 LEU A 31 5.775 -0.844 -10.509 1.00 0.00 C ATOM 0 H LEU A 31 6.244 0.793 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 31 8.696 -0.100 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.744 1.661 -10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.282 1.279 -11.559 1.00 0.00 H new ATOM 0 HG LEU A 31 6.594 -0.232 -12.371 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.609 -2.401 -11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.833 -1.147 -12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.471 -1.644 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.382 -1.783 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.098 -0.986 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.996 -0.083 -10.544 1.00 0.00 H new ATOM 522 N GLN A 32 8.825 3.124 -8.882 1.00 0.00 N ATOM 523 CA GLN A 32 9.735 4.232 -8.647 1.00 0.00 C ATOM 524 C GLN A 32 10.334 4.139 -7.242 1.00 0.00 C ATOM 525 O GLN A 32 11.532 4.349 -7.059 1.00 0.00 O ATOM 526 CB GLN A 32 9.030 5.574 -8.854 1.00 0.00 C ATOM 527 CG GLN A 32 9.073 5.995 -10.325 1.00 0.00 C ATOM 528 CD GLN A 32 10.505 6.310 -10.763 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.431 6.347 -9.970 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.634 6.535 -12.068 1.00 0.00 N ATOM 0 H GLN A 32 7.839 3.344 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 32 10.547 4.169 -9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.994 5.499 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.506 6.338 -8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.665 5.198 -10.947 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.442 6.871 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.817 6.488 -12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.550 6.754 -12.460 1.00 0.00 H new ATOM 539 N LEU A 33 9.473 3.823 -6.286 1.00 0.00 N ATOM 540 CA LEU A 33 9.901 3.699 -4.904 1.00 0.00 C ATOM 541 C LEU A 33 11.054 2.696 -4.820 1.00 0.00 C ATOM 542 O LEU A 33 12.037 2.932 -4.119 1.00 0.00 O ATOM 543 CB LEU A 33 8.715 3.348 -4.004 1.00 0.00 C ATOM 544 CG LEU A 33 8.934 3.535 -2.501 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.166 2.482 -1.700 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.426 3.540 -2.161 1.00 0.00 C ATOM 0 H LEU A 33 8.480 3.649 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 33 10.279 4.653 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.863 3.957 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.443 2.308 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 33 8.536 4.509 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.339 2.637 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.100 2.570 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.511 1.487 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.554 3.674 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.871 2.592 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.917 4.357 -2.690 1.00 0.00 H new ATOM 558 N LEU A 34 10.895 1.599 -5.545 1.00 0.00 N ATOM 559 CA LEU A 34 11.911 0.559 -5.561 1.00 0.00 C ATOM 560 C LEU A 34 13.027 0.958 -6.528 1.00 0.00 C ATOM 561 O LEU A 34 14.130 0.417 -6.465 1.00 0.00 O ATOM 562 CB LEU A 34 11.281 -0.799 -5.875 1.00 0.00 C ATOM 563 CG LEU A 34 9.779 -0.920 -5.612 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.001 -1.049 -6.923 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.481 -2.074 -4.653 1.00 0.00 C ATOM 0 H LEU A 34 10.079 1.407 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 34 12.365 0.454 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.465 -1.028 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.795 -1.560 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 34 9.443 -0.004 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.936 -1.133 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.178 -0.167 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.334 -1.938 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.406 -2.138 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.836 -3.009 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.988 -1.899 -3.704 1.00 0.00 H new ATOM 577 N LYS A 35 12.703 1.902 -7.399 1.00 0.00 N ATOM 578 CA LYS A 35 13.665 2.380 -8.378 1.00 0.00 C ATOM 579 C LYS A 35 14.891 2.937 -7.652 1.00 0.00 C ATOM 580 O LYS A 35 15.920 3.196 -8.273 1.00 0.00 O ATOM 581 CB LYS A 35 13.007 3.380 -9.331 1.00 0.00 C ATOM 582 CG LYS A 35 13.892 3.635 -10.553 1.00 0.00 C ATOM 583 CD LYS A 35 13.077 3.560 -11.846 1.00 0.00 C ATOM 584 CE LYS A 35 13.988 3.355 -13.057 1.00 0.00 C ATOM 585 NZ LYS A 35 14.091 4.603 -13.846 1.00 0.00 N ATOM 0 H LYS A 35 11.787 2.349 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 35 14.012 1.558 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.038 2.998 -9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.823 4.319 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.359 4.616 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.697 2.901 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.361 2.740 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.501 4.477 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.979 3.045 -12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.596 2.553 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.713 4.446 -14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.146 4.883 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.486 5.359 -13.251 1.00 0.00 H new ATOM 599 N GLY A 36 14.740 3.104 -6.346 1.00 0.00 N ATOM 600 CA GLY A 36 15.822 3.626 -5.529 1.00 0.00 C ATOM 601 C GLY A 36 17.055 2.724 -5.612 1.00 0.00 C ATOM 602 O GLY A 36 18.172 3.209 -5.791 1.00 0.00 O ATOM 0 H GLY A 36 13.885 2.887 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.080 4.632 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.494 3.706 -4.493 1.00 0.00 H new ATOM 606 N ASP A 37 16.812 1.429 -5.478 1.00 0.00 N ATOM 607 CA ASP A 37 17.889 0.455 -5.535 1.00 0.00 C ATOM 608 C ASP A 37 17.342 -0.874 -6.060 1.00 0.00 C ATOM 609 O ASP A 37 16.201 -0.943 -6.516 1.00 0.00 O ATOM 610 CB ASP A 37 18.481 0.207 -4.147 1.00 0.00 C ATOM 611 CG ASP A 37 18.765 1.468 -3.329 1.00 0.00 C ATOM 612 OD1 ASP A 37 19.411 2.377 -3.894 1.00 0.00 O ATOM 613 OD2 ASP A 37 18.330 1.496 -2.158 1.00 0.00 O ATOM 0 H ASP A 37 15.885 1.031 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 37 18.664 0.848 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.795 -0.426 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.410 -0.351 -4.260 1.00 0.00 H new ATOM 618 N VAL A 38 18.181 -1.896 -5.979 1.00 0.00 N ATOM 619 CA VAL A 38 17.795 -3.219 -6.441 1.00 0.00 C ATOM 620 C VAL A 38 18.671 -4.269 -5.755 1.00 0.00 C ATOM 621 O VAL A 38 19.712 -3.940 -5.187 1.00 0.00 O ATOM 622 CB VAL A 38 17.871 -3.283 -7.968 1.00 0.00 C ATOM 623 CG1 VAL A 38 18.924 -2.312 -8.506 1.00 0.00 C ATOM 624 CG2 VAL A 38 18.147 -4.710 -8.444 1.00 0.00 C ATOM 0 H VAL A 38 19.126 -1.835 -5.601 1.00 0.00 H new ATOM 0 HA VAL A 38 16.760 -3.431 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 38 16.902 -2.979 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 38 18.958 -2.378 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.665 -1.295 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 38 19.901 -2.571 -8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.196 -4.727 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.096 -5.054 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.346 -5.367 -8.106 1.00 0.00 H new ATOM 634 N SER A 39 18.218 -5.512 -5.830 1.00 0.00 N ATOM 635 CA SER A 39 18.947 -6.612 -5.223 1.00 0.00 C ATOM 636 C SER A 39 18.091 -7.880 -5.240 1.00 0.00 C ATOM 637 O SER A 39 17.122 -7.969 -5.993 1.00 0.00 O ATOM 638 CB SER A 39 19.364 -6.273 -3.790 1.00 0.00 C ATOM 639 OG SER A 39 20.779 -6.307 -3.623 1.00 0.00 O ATOM 0 H SER A 39 17.355 -5.781 -6.302 1.00 0.00 H new ATOM 0 HA SER A 39 19.852 -6.784 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.992 -5.282 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 39 18.901 -6.979 -3.101 1.00 0.00 H new ATOM 0 HG SER A 39 21.179 -5.528 -4.062 1.00 0.00 H new ATOM 645 N HIS A 40 18.481 -8.830 -4.403 1.00 0.00 N ATOM 646 CA HIS A 40 17.761 -10.089 -4.313 1.00 0.00 C ATOM 647 C HIS A 40 17.635 -10.504 -2.846 1.00 0.00 C ATOM 648 O HIS A 40 18.639 -10.701 -2.164 1.00 0.00 O ATOM 649 CB HIS A 40 18.431 -11.160 -5.177 1.00 0.00 C ATOM 650 CG HIS A 40 17.664 -11.506 -6.431 1.00 0.00 C ATOM 651 ND1 HIS A 40 18.282 -11.931 -7.594 1.00 0.00 N ATOM 652 CD2 HIS A 40 16.325 -11.485 -6.691 1.00 0.00 C ATOM 653 CE1 HIS A 40 17.347 -12.152 -8.507 1.00 0.00 C ATOM 654 NE2 HIS A 40 16.135 -11.875 -7.946 1.00 0.00 N ATOM 0 H HIS A 40 19.286 -8.753 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 40 16.752 -9.965 -4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 40 19.427 -10.816 -5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.561 -12.064 -4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.551 -11.200 -5.994 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.515 -12.492 -9.518 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.232 -11.954 -8.413 1.00 0.00 H new ATOM 662 N ARG A 41 16.392 -10.625 -2.404 1.00 0.00 N ATOM 663 CA ARG A 41 16.120 -11.013 -1.030 1.00 0.00 C ATOM 664 C ARG A 41 14.612 -11.094 -0.789 1.00 0.00 C ATOM 665 O ARG A 41 14.151 -11.893 0.024 1.00 0.00 O ATOM 666 CB ARG A 41 16.735 -10.017 -0.045 1.00 0.00 C ATOM 667 CG ARG A 41 16.727 -8.600 -0.621 1.00 0.00 C ATOM 668 CD ARG A 41 18.150 -8.060 -0.771 1.00 0.00 C ATOM 669 NE ARG A 41 18.873 -8.173 0.516 1.00 0.00 N ATOM 670 CZ ARG A 41 19.729 -9.161 0.812 1.00 0.00 C ATOM 671 NH1 ARG A 41 19.975 -10.126 -0.084 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.339 -9.183 2.005 1.00 0.00 N ATOM 0 H ARG A 41 15.562 -10.461 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 41 16.569 -11.993 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.178 -10.036 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.758 -10.314 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.231 -8.601 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.152 -7.942 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.679 -8.616 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.121 -7.018 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 41 18.710 -7.454 1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.511 -10.109 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.627 -10.878 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.152 -8.448 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.991 -9.935 2.231 1.00 0.00 H new ATOM 686 N PHE A 42 13.884 -10.254 -1.511 1.00 0.00 N ATOM 687 CA PHE A 42 12.437 -10.220 -1.386 1.00 0.00 C ATOM 688 C PHE A 42 11.782 -9.796 -2.702 1.00 0.00 C ATOM 689 O PHE A 42 12.440 -9.226 -3.571 1.00 0.00 O ATOM 690 CB PHE A 42 12.105 -9.186 -0.309 1.00 0.00 C ATOM 691 CG PHE A 42 11.996 -7.753 -0.834 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.797 -7.340 -1.853 1.00 0.00 C ATOM 693 CD2 PHE A 42 11.100 -6.892 -0.282 1.00 0.00 C ATOM 694 CE1 PHE A 42 12.697 -6.010 -2.340 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.999 -5.563 -0.770 1.00 0.00 C ATOM 696 CZ PHE A 42 11.800 -5.150 -1.788 1.00 0.00 C ATOM 0 H PHE A 42 14.270 -9.592 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 42 12.063 -11.211 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.163 -9.461 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.873 -9.222 0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.509 -8.024 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.465 -7.219 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.333 -5.682 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.286 -4.880 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.724 -4.138 -2.158 1.00 0.00 H new ATOM 706 N ASP A 43 10.495 -10.091 -2.808 1.00 0.00 N ATOM 707 CA ASP A 43 9.744 -9.747 -4.004 1.00 0.00 C ATOM 708 C ASP A 43 8.702 -8.682 -3.658 1.00 0.00 C ATOM 709 O ASP A 43 7.892 -8.872 -2.752 1.00 0.00 O ATOM 710 CB ASP A 43 9.007 -10.966 -4.561 1.00 0.00 C ATOM 711 CG ASP A 43 9.642 -11.594 -5.803 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.370 -10.857 -6.503 1.00 0.00 O ATOM 713 OD2 ASP A 43 9.385 -12.797 -6.026 1.00 0.00 O ATOM 0 H ASP A 43 9.953 -10.564 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 43 10.448 -9.379 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.947 -11.724 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.985 -10.675 -4.802 1.00 0.00 H new ATOM 718 N VAL A 44 8.757 -7.584 -4.397 1.00 0.00 N ATOM 719 CA VAL A 44 7.828 -6.488 -4.180 1.00 0.00 C ATOM 720 C VAL A 44 6.642 -6.633 -5.136 1.00 0.00 C ATOM 721 O VAL A 44 6.827 -6.888 -6.325 1.00 0.00 O ATOM 722 CB VAL A 44 8.554 -5.149 -4.327 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.758 -4.019 -3.670 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.970 -5.228 -3.754 1.00 0.00 C ATOM 0 H VAL A 44 9.431 -7.430 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 44 7.433 -6.518 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 44 8.635 -4.926 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.296 -3.078 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.780 -3.940 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.631 -4.233 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.464 -4.264 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.920 -5.484 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.536 -5.993 -4.286 1.00 0.00 H new ATOM 734 N GLU A 45 5.451 -6.465 -4.580 1.00 0.00 N ATOM 735 CA GLU A 45 4.235 -6.574 -5.369 1.00 0.00 C ATOM 736 C GLU A 45 3.608 -5.193 -5.570 1.00 0.00 C ATOM 737 O GLU A 45 3.199 -4.547 -4.607 1.00 0.00 O ATOM 738 CB GLU A 45 3.243 -7.538 -4.716 1.00 0.00 C ATOM 739 CG GLU A 45 2.561 -8.418 -5.765 1.00 0.00 C ATOM 740 CD GLU A 45 1.992 -7.571 -6.905 1.00 0.00 C ATOM 741 OE1 GLU A 45 2.812 -7.083 -7.713 1.00 0.00 O ATOM 742 OE2 GLU A 45 0.751 -7.432 -6.943 1.00 0.00 O ATOM 0 H GLU A 45 5.302 -6.254 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 45 4.494 -6.979 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.763 -8.166 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.491 -6.973 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.277 -9.136 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.760 -8.992 -5.299 1.00 0.00 H new ATOM 749 N ILE A 46 3.551 -4.782 -6.829 1.00 0.00 N ATOM 750 CA ILE A 46 2.980 -3.490 -7.169 1.00 0.00 C ATOM 751 C ILE A 46 1.644 -3.700 -7.885 1.00 0.00 C ATOM 752 O ILE A 46 1.616 -4.089 -9.051 1.00 0.00 O ATOM 753 CB ILE A 46 3.982 -2.655 -7.969 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.403 -2.842 -7.432 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.569 -1.183 -7.998 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.939 -4.234 -7.772 1.00 0.00 C ATOM 0 H ILE A 46 3.891 -5.321 -7.625 1.00 0.00 H new ATOM 0 HA ILE A 46 2.771 -2.916 -6.266 1.00 0.00 H new ATOM 0 HB ILE A 46 3.978 -3.010 -8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.059 -2.082 -7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.409 -2.700 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.298 -0.612 -8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.587 -1.090 -8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.527 -0.797 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.950 -4.341 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.294 -4.991 -7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.955 -4.363 -8.854 1.00 0.00 H new ATOM 768 N ALA A 47 0.570 -3.434 -7.156 1.00 0.00 N ATOM 769 CA ALA A 47 -0.765 -3.589 -7.707 1.00 0.00 C ATOM 770 C ALA A 47 -1.655 -2.451 -7.203 1.00 0.00 C ATOM 771 O ALA A 47 -1.637 -2.122 -6.018 1.00 0.00 O ATOM 772 CB ALA A 47 -1.315 -4.967 -7.334 1.00 0.00 C ATOM 0 H ALA A 47 0.597 -3.112 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.740 -3.532 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.317 -5.083 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.663 -5.741 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.357 -5.060 -6.249 1.00 0.00 H new ATOM 778 N ASN A 48 -2.414 -1.882 -8.128 1.00 0.00 N ATOM 779 CA ASN A 48 -3.309 -0.788 -7.793 1.00 0.00 C ATOM 780 C ASN A 48 -4.710 -1.344 -7.528 1.00 0.00 C ATOM 781 O ASN A 48 -5.315 -1.956 -8.407 1.00 0.00 O ATOM 782 CB ASN A 48 -3.409 0.216 -8.943 1.00 0.00 C ATOM 783 CG ASN A 48 -3.812 -0.481 -10.245 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.981 -0.640 -10.557 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.783 -0.885 -10.983 1.00 0.00 N ATOM 0 H ASN A 48 -2.427 -2.158 -9.110 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.911 -0.286 -6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.141 0.985 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.451 0.718 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.947 -1.360 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.829 -0.720 -10.662 1.00 0.00 H new ATOM 792 N ARG A 49 -5.185 -1.111 -6.313 1.00 0.00 N ATOM 793 CA ARG A 49 -6.503 -1.581 -5.922 1.00 0.00 C ATOM 794 C ARG A 49 -6.980 -0.842 -4.670 1.00 0.00 C ATOM 795 O ARG A 49 -6.167 -0.350 -3.888 1.00 0.00 O ATOM 796 CB ARG A 49 -6.491 -3.086 -5.645 1.00 0.00 C ATOM 797 CG ARG A 49 -7.713 -3.767 -6.264 1.00 0.00 C ATOM 798 CD ARG A 49 -7.357 -4.423 -7.600 1.00 0.00 C ATOM 799 NE ARG A 49 -7.427 -5.896 -7.475 1.00 0.00 N ATOM 800 CZ ARG A 49 -7.546 -6.733 -8.514 1.00 0.00 C ATOM 801 NH1 ARG A 49 -7.610 -6.248 -9.761 1.00 0.00 N ATOM 802 NH2 ARG A 49 -7.602 -8.055 -8.306 1.00 0.00 N ATOM 0 H ARG A 49 -4.681 -0.603 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.185 -1.381 -6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.580 -3.527 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.478 -3.261 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.101 -4.519 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.505 -3.034 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.043 -4.083 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.355 -4.123 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.382 -6.299 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.568 -5.241 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.701 -6.885 -10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.554 -8.424 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.693 -8.692 -9.097 1.00 0.00 H new ATOM 816 N PHE A 50 -8.295 -0.788 -4.518 1.00 0.00 N ATOM 817 CA PHE A 50 -8.889 -0.117 -3.375 1.00 0.00 C ATOM 818 C PHE A 50 -8.632 -0.900 -2.085 1.00 0.00 C ATOM 819 O PHE A 50 -8.974 -2.078 -1.991 1.00 0.00 O ATOM 820 CB PHE A 50 -10.397 -0.055 -3.627 1.00 0.00 C ATOM 821 CG PHE A 50 -11.085 -1.422 -3.626 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.362 -2.547 -3.872 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.420 -1.511 -3.379 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.001 -3.815 -3.871 1.00 0.00 C ATOM 825 CE2 PHE A 50 -13.058 -2.779 -3.378 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.335 -3.905 -3.624 1.00 0.00 C ATOM 0 H PHE A 50 -8.966 -1.198 -5.168 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.454 0.876 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.857 0.572 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.575 0.429 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.302 -2.476 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.994 -0.617 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.427 -4.709 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.118 -2.850 -3.182 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.820 -4.870 -3.623 1.00 0.00 H new ATOM 836 N PRO A 51 -8.014 -0.196 -1.099 1.00 0.00 N ATOM 837 CA PRO A 51 -7.707 -0.812 0.180 1.00 0.00 C ATOM 838 C PRO A 51 -8.969 -0.966 1.032 1.00 0.00 C ATOM 839 O PRO A 51 -9.037 -0.448 2.146 1.00 0.00 O ATOM 840 CB PRO A 51 -6.668 0.098 0.816 1.00 0.00 C ATOM 841 CG PRO A 51 -6.775 1.426 0.084 1.00 0.00 C ATOM 842 CD PRO A 51 -7.594 1.200 -1.176 1.00 0.00 C ATOM 0 HA PRO A 51 -7.319 -1.825 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.858 0.223 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.667 -0.323 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.250 2.174 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.784 1.804 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.453 1.870 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.002 1.387 -2.072 1.00 0.00 H new ATOM 850 N THR A 52 -9.937 -1.679 0.476 1.00 0.00 N ATOM 851 CA THR A 52 -11.192 -1.907 1.170 1.00 0.00 C ATOM 852 C THR A 52 -10.956 -2.716 2.448 1.00 0.00 C ATOM 853 O THR A 52 -9.937 -3.393 2.578 1.00 0.00 O ATOM 854 CB THR A 52 -12.157 -2.583 0.194 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.304 -3.182 -0.778 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.982 -1.573 -0.606 1.00 0.00 C ATOM 0 H THR A 52 -9.877 -2.107 -0.448 1.00 0.00 H new ATOM 0 HA THR A 52 -11.640 -0.968 1.495 1.00 0.00 H new ATOM 0 HB THR A 52 -12.826 -3.244 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.698 -3.075 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.650 -2.104 -1.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.570 -0.961 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.314 -0.933 -1.183 1.00 0.00 H new ATOM 864 N TRP A 53 -11.914 -2.619 3.357 1.00 0.00 N ATOM 865 CA TRP A 53 -11.823 -3.333 4.619 1.00 0.00 C ATOM 866 C TRP A 53 -11.939 -4.830 4.325 1.00 0.00 C ATOM 867 O TRP A 53 -11.441 -5.656 5.088 1.00 0.00 O ATOM 868 CB TRP A 53 -12.878 -2.834 5.609 1.00 0.00 C ATOM 869 CG TRP A 53 -13.315 -1.387 5.376 1.00 0.00 C ATOM 870 CD1 TRP A 53 -14.145 -0.917 4.435 1.00 0.00 C ATOM 871 CD2 TRP A 53 -12.907 -0.232 6.140 1.00 0.00 C ATOM 872 NE1 TRP A 53 -14.302 0.451 4.537 1.00 0.00 N ATOM 873 CE2 TRP A 53 -13.525 0.880 5.606 1.00 0.00 C ATOM 874 CE3 TRP A 53 -12.045 -0.131 7.246 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -13.347 2.173 6.112 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -11.877 1.168 7.740 1.00 0.00 C ATOM 877 CH2 TRP A 53 -12.492 2.298 7.214 1.00 0.00 C ATOM 0 H TRP A 53 -12.758 -2.057 3.245 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.862 -3.146 5.099 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.753 -3.481 5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.484 -2.925 6.621 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.630 -1.531 3.691 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -14.882 1.039 3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.551 -0.988 7.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.842 3.028 5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -11.224 1.301 8.590 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -12.311 3.268 7.653 1.00 0.00 H new ATOM 888 N ASP A 54 -12.600 -5.133 3.218 1.00 0.00 N ATOM 889 CA ASP A 54 -12.788 -6.516 2.813 1.00 0.00 C ATOM 890 C ASP A 54 -11.452 -7.256 2.907 1.00 0.00 C ATOM 891 O ASP A 54 -11.335 -8.243 3.632 1.00 0.00 O ATOM 892 CB ASP A 54 -13.278 -6.605 1.367 1.00 0.00 C ATOM 893 CG ASP A 54 -14.799 -6.635 1.200 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.410 -7.582 1.740 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.315 -5.711 0.536 1.00 0.00 O ATOM 0 H ASP A 54 -13.012 -4.444 2.588 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.532 -6.963 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.883 -5.754 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.860 -7.503 0.912 1.00 0.00 H new ATOM 900 N GLN A 55 -10.479 -6.752 2.162 1.00 0.00 N ATOM 901 CA GLN A 55 -9.157 -7.353 2.152 1.00 0.00 C ATOM 902 C GLN A 55 -8.346 -6.872 3.357 1.00 0.00 C ATOM 903 O GLN A 55 -7.664 -7.664 4.007 1.00 0.00 O ATOM 904 CB GLN A 55 -8.426 -7.048 0.843 1.00 0.00 C ATOM 905 CG GLN A 55 -8.182 -8.328 0.040 1.00 0.00 C ATOM 906 CD GLN A 55 -8.343 -8.073 -1.460 1.00 0.00 C ATOM 907 OE1 GLN A 55 -8.295 -6.950 -1.934 1.00 0.00 O ATOM 908 NE2 GLN A 55 -8.535 -9.176 -2.178 1.00 0.00 N ATOM 0 H GLN A 55 -10.580 -5.934 1.561 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.271 -8.435 2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.013 -6.348 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.474 -6.563 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.179 -8.703 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.882 -9.100 0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.564 -10.086 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.653 -9.112 -3.189 1.00 0.00 H new ATOM 917 N LEU A 56 -8.446 -5.577 3.619 1.00 0.00 N ATOM 918 CA LEU A 56 -7.730 -4.982 4.734 1.00 0.00 C ATOM 919 C LEU A 56 -8.099 -5.719 6.023 1.00 0.00 C ATOM 920 O LEU A 56 -7.335 -5.711 6.987 1.00 0.00 O ATOM 921 CB LEU A 56 -7.988 -3.474 4.792 1.00 0.00 C ATOM 922 CG LEU A 56 -7.845 -2.822 6.169 1.00 0.00 C ATOM 923 CD1 LEU A 56 -9.092 -3.065 7.022 1.00 0.00 C ATOM 924 CD2 LEU A 56 -6.570 -3.295 6.870 1.00 0.00 C ATOM 0 H LEU A 56 -9.012 -4.923 3.078 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.654 -5.094 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.300 -2.981 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.996 -3.283 4.425 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.755 -1.745 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.965 -2.591 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.963 -2.640 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.238 -4.137 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.493 -2.817 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.605 -4.377 6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.703 -3.029 6.266 1.00 0.00 H new ATOM 936 N GLN A 57 -9.271 -6.337 5.999 1.00 0.00 N ATOM 937 CA GLN A 57 -9.750 -7.077 7.154 1.00 0.00 C ATOM 938 C GLN A 57 -8.627 -7.935 7.739 1.00 0.00 C ATOM 939 O GLN A 57 -8.584 -8.170 8.945 1.00 0.00 O ATOM 940 CB GLN A 57 -10.963 -7.937 6.789 1.00 0.00 C ATOM 941 CG GLN A 57 -10.526 -9.288 6.221 1.00 0.00 C ATOM 942 CD GLN A 57 -10.415 -10.339 7.328 1.00 0.00 C ATOM 943 OE1 GLN A 57 -10.098 -10.045 8.469 1.00 0.00 O ATOM 944 NE2 GLN A 57 -10.694 -11.576 6.928 1.00 0.00 N ATOM 0 H GLN A 57 -9.903 -6.340 5.198 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.067 -6.362 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.582 -8.093 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.578 -7.413 6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.243 -9.620 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.565 -9.181 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.953 -11.752 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.649 -12.349 7.592 1.00 0.00 H new ATOM 953 N TYR A 58 -7.743 -8.378 6.856 1.00 0.00 N ATOM 954 CA TYR A 58 -6.622 -9.204 7.270 1.00 0.00 C ATOM 955 C TYR A 58 -5.573 -8.373 8.012 1.00 0.00 C ATOM 956 O TYR A 58 -5.216 -8.688 9.146 1.00 0.00 O ATOM 957 CB TYR A 58 -6.004 -9.752 5.983 1.00 0.00 C ATOM 958 CG TYR A 58 -6.992 -10.502 5.088 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.791 -11.494 5.621 1.00 0.00 C ATOM 960 CD2 TYR A 58 -7.086 -10.188 3.747 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.721 -12.200 4.779 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.016 -10.894 2.905 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.788 -11.865 3.463 1.00 0.00 C ATOM 964 OH TYR A 58 -9.667 -12.532 2.667 1.00 0.00 O ATOM 0 H TYR A 58 -7.781 -8.180 5.856 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.955 -9.994 7.943 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.574 -8.925 5.418 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.184 -10.422 6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.718 -11.740 6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.461 -9.412 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.351 -12.978 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.099 -10.658 1.854 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.607 -12.187 1.752 1.00 0.00 H new ATOM 974 N MET A 59 -5.109 -7.329 7.342 1.00 0.00 N ATOM 975 CA MET A 59 -4.108 -6.451 7.923 1.00 0.00 C ATOM 976 C MET A 59 -4.690 -5.656 9.094 1.00 0.00 C ATOM 977 O MET A 59 -3.971 -5.305 10.028 1.00 0.00 O ATOM 978 CB MET A 59 -3.595 -5.484 6.854 1.00 0.00 C ATOM 979 CG MET A 59 -2.417 -6.089 6.088 1.00 0.00 C ATOM 980 SD MET A 59 -3.017 -7.198 4.825 1.00 0.00 S ATOM 981 CE MET A 59 -1.642 -7.145 3.687 1.00 0.00 C ATOM 0 H MET A 59 -5.408 -7.071 6.402 1.00 0.00 H new ATOM 0 HA MET A 59 -3.287 -7.063 8.296 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.400 -5.243 6.160 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.287 -4.549 7.322 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.821 -5.296 5.635 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.763 -6.626 6.775 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.991 -6.809 2.711 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.887 -6.453 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.208 -8.141 3.594 1.00 0.00 H new ATOM 991 N ARG A 60 -5.986 -5.396 9.005 1.00 0.00 N ATOM 992 CA ARG A 60 -6.673 -4.650 10.046 1.00 0.00 C ATOM 993 C ARG A 60 -6.380 -5.260 11.418 1.00 0.00 C ATOM 994 O ARG A 60 -6.309 -4.545 12.417 1.00 0.00 O ATOM 995 CB ARG A 60 -8.185 -4.641 9.811 1.00 0.00 C ATOM 996 CG ARG A 60 -8.891 -5.617 10.754 1.00 0.00 C ATOM 997 CD ARG A 60 -10.393 -5.667 10.467 1.00 0.00 C ATOM 998 NE ARG A 60 -11.149 -5.748 11.737 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.486 -5.793 11.814 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -13.223 -5.765 10.695 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -13.086 -5.866 13.010 1.00 0.00 N ATOM 0 H ARG A 60 -6.579 -5.689 8.228 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.306 -3.624 10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.575 -3.635 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.398 -4.911 8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.462 -6.613 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.725 -5.314 11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.695 -4.780 9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.624 -6.529 9.841 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.619 -5.771 12.608 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.766 -5.709 9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.241 -5.799 10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.525 -5.887 13.862 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.104 -5.900 13.069 1.00 0.00 H new ATOM 1015 N THR A 61 -6.217 -6.574 11.423 1.00 0.00 N ATOM 1016 CA THR A 61 -5.934 -7.289 12.656 1.00 0.00 C ATOM 1017 C THR A 61 -4.432 -7.276 12.946 1.00 0.00 C ATOM 1018 O THR A 61 -4.017 -7.049 14.082 1.00 0.00 O ATOM 1019 CB THR A 61 -6.516 -8.698 12.531 1.00 0.00 C ATOM 1020 OG1 THR A 61 -6.611 -8.911 11.126 1.00 0.00 O ATOM 1021 CG2 THR A 61 -7.965 -8.778 13.018 1.00 0.00 C ATOM 0 H THR A 61 -6.275 -7.163 10.592 1.00 0.00 H new ATOM 0 HA THR A 61 -6.404 -6.803 13.511 1.00 0.00 H new ATOM 0 HB THR A 61 -5.902 -9.396 13.100 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.713 -8.907 10.733 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.330 -9.799 12.908 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.013 -8.487 14.067 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.585 -8.105 12.426 1.00 0.00 H new ATOM 1029 N SER A 62 -3.657 -7.522 11.900 1.00 0.00 N ATOM 1030 CA SER A 62 -2.210 -7.542 12.028 1.00 0.00 C ATOM 1031 C SER A 62 -1.717 -6.213 12.604 1.00 0.00 C ATOM 1032 O SER A 62 -0.736 -6.179 13.346 1.00 0.00 O ATOM 1033 CB SER A 62 -1.541 -7.816 10.680 1.00 0.00 C ATOM 1034 OG SER A 62 -1.850 -9.116 10.185 1.00 0.00 O ATOM 0 H SER A 62 -4.004 -7.709 10.959 1.00 0.00 H new ATOM 0 HA SER A 62 -1.939 -8.349 12.708 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.863 -7.067 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.461 -7.715 10.784 1.00 0.00 H new ATOM 0 HG SER A 62 -1.406 -9.252 9.322 1.00 0.00 H new ATOM 1040 N CYS A 63 -2.421 -5.150 12.241 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.068 -3.822 12.713 1.00 0.00 C ATOM 1042 C CYS A 63 -3.353 -3.005 12.854 1.00 0.00 C ATOM 1043 O CYS A 63 -4.315 -3.221 12.119 1.00 0.00 O ATOM 1044 CB CYS A 63 -1.058 -3.142 11.785 1.00 0.00 C ATOM 1045 SG CYS A 63 0.633 -3.730 12.163 1.00 0.00 S ATOM 0 H CYS A 63 -3.234 -5.182 11.626 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.578 -3.897 13.684 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.303 -3.359 10.745 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.111 -2.060 11.906 1.00 0.00 H new ATOM 0 HG CYS A 63 0.569 -4.887 12.752 1.00 0.00 H new ATOM 1051 N PRO A 64 -3.328 -2.058 13.830 1.00 0.00 N ATOM 1052 CA PRO A 64 -4.480 -1.207 14.078 1.00 0.00 C ATOM 1053 C PRO A 64 -4.612 -0.135 12.994 1.00 0.00 C ATOM 1054 O PRO A 64 -5.704 0.379 12.755 1.00 0.00 O ATOM 1055 CB PRO A 64 -4.249 -0.625 15.463 1.00 0.00 C ATOM 1056 CG PRO A 64 -2.766 -0.801 15.747 1.00 0.00 C ATOM 1057 CD PRO A 64 -2.207 -1.773 14.721 1.00 0.00 C ATOM 0 HA PRO A 64 -5.422 -1.754 14.043 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.531 0.427 15.496 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.853 -1.141 16.209 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.249 0.157 15.686 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.613 -1.182 16.757 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.370 -1.336 14.177 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.838 -2.682 15.197 1.00 0.00 H new ATOM 1065 N GLN A 65 -3.486 0.169 12.366 1.00 0.00 N ATOM 1066 CA GLN A 65 -3.463 1.170 11.313 1.00 0.00 C ATOM 1067 C GLN A 65 -3.936 0.561 9.991 1.00 0.00 C ATOM 1068 O GLN A 65 -3.815 1.185 8.938 1.00 0.00 O ATOM 1069 CB GLN A 65 -2.068 1.780 11.168 1.00 0.00 C ATOM 1070 CG GLN A 65 -2.084 3.272 11.507 1.00 0.00 C ATOM 1071 CD GLN A 65 -2.346 3.492 12.999 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -1.938 2.716 13.848 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -3.046 4.589 13.269 1.00 0.00 N ATOM 0 H GLN A 65 -2.583 -0.260 12.566 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.148 1.973 11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.370 1.261 11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.710 1.639 10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.130 3.722 11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.854 3.774 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.357 5.195 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.272 4.825 14.235 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.463 -0.651 10.090 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.954 -1.351 8.915 1.00 0.00 C ATOM 1084 C GLY A 66 -5.544 -0.370 7.899 1.00 0.00 C ATOM 1085 O GLY A 66 -4.830 0.138 7.036 1.00 0.00 O ATOM 0 H GLY A 66 -4.561 -1.166 10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.140 -1.911 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.713 -2.075 9.210 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.875 -0.128 8.040 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.568 0.782 7.144 1.00 0.00 C ATOM 1091 C PRO A 67 -7.233 2.238 7.475 1.00 0.00 C ATOM 1092 O PRO A 67 -6.986 3.041 6.577 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.043 0.458 7.318 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.152 -0.293 8.636 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.751 -0.713 9.050 1.00 0.00 C ATOM 0 HA PRO A 67 -7.267 0.659 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.643 1.368 7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.410 -0.150 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.602 0.341 9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.795 -1.166 8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.506 -0.346 10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.655 -1.798 9.077 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.237 2.533 8.767 1.00 0.00 N ATOM 1104 CA VAL A 68 -6.936 3.878 9.227 1.00 0.00 C ATOM 1105 C VAL A 68 -5.733 4.421 8.453 1.00 0.00 C ATOM 1106 O VAL A 68 -5.650 5.620 8.189 1.00 0.00 O ATOM 1107 CB VAL A 68 -6.721 3.877 10.742 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -7.378 2.655 11.388 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -5.231 3.943 11.084 1.00 0.00 C ATOM 0 H VAL A 68 -7.444 1.864 9.509 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.776 4.545 9.031 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.198 4.769 11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.210 2.678 12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.449 2.669 11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.943 1.746 10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.106 3.941 12.167 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.721 3.079 10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.803 4.856 10.671 1.00 0.00 H new ATOM 1119 N SER A 69 -4.831 3.513 8.111 1.00 0.00 N ATOM 1120 CA SER A 69 -3.637 3.886 7.373 1.00 0.00 C ATOM 1121 C SER A 69 -3.973 4.069 5.891 1.00 0.00 C ATOM 1122 O SER A 69 -3.440 4.964 5.236 1.00 0.00 O ATOM 1123 CB SER A 69 -2.536 2.837 7.540 1.00 0.00 C ATOM 1124 OG SER A 69 -2.841 1.627 6.851 1.00 0.00 O ATOM 0 H SER A 69 -4.903 2.520 8.332 1.00 0.00 H new ATOM 0 HA SER A 69 -3.268 4.829 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.594 3.238 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.395 2.625 8.600 1.00 0.00 H new ATOM 0 HG SER A 69 -3.581 1.171 7.303 1.00 0.00 H new ATOM 1130 N LEU A 70 -4.856 3.209 5.407 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.270 3.265 4.015 1.00 0.00 C ATOM 1132 C LEU A 70 -6.183 4.475 3.808 1.00 0.00 C ATOM 1133 O LEU A 70 -5.901 5.334 2.974 1.00 0.00 O ATOM 1134 CB LEU A 70 -5.903 1.938 3.590 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.225 0.672 4.120 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -6.258 -0.410 4.438 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -4.155 0.175 3.146 1.00 0.00 C ATOM 0 H LEU A 70 -5.297 2.469 5.954 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.405 3.402 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.943 1.933 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.910 1.894 2.501 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.720 0.919 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.750 -1.299 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.950 -0.041 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.811 -0.662 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.689 -0.725 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.615 -0.052 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.397 0.947 3.013 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.259 4.505 4.581 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.215 5.595 4.492 1.00 0.00 C ATOM 1151 C GLN A 71 -7.504 6.939 4.666 1.00 0.00 C ATOM 1152 O GLN A 71 -7.780 7.890 3.936 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.333 5.429 5.523 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.776 3.968 5.621 1.00 0.00 C ATOM 1155 CD GLN A 71 -9.848 3.323 4.235 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -8.857 2.886 3.674 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.073 3.289 3.718 1.00 0.00 N ATOM 0 H GLN A 71 -7.490 3.791 5.272 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.672 5.573 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.988 5.774 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.183 6.053 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.078 3.414 6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.752 3.912 6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.859 3.673 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.227 2.879 2.797 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.603 6.975 5.636 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.850 8.186 5.914 1.00 0.00 C ATOM 1168 C ARG A 72 -4.786 8.409 4.838 1.00 0.00 C ATOM 1169 O ARG A 72 -4.243 9.506 4.715 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.173 8.112 7.284 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.209 7.969 8.401 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.818 9.326 8.760 1.00 0.00 C ATOM 1173 NE ARG A 72 -6.594 9.618 10.193 1.00 0.00 N ATOM 1174 CZ ARG A 72 -5.482 10.186 10.680 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -4.486 10.525 9.851 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.366 10.413 11.995 1.00 0.00 N ATOM 0 H ARG A 72 -6.377 6.185 6.240 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.552 9.020 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.487 7.266 7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.578 9.010 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.997 7.285 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.741 7.532 9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.371 10.108 8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.886 9.323 8.544 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.333 9.371 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.574 10.351 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.639 10.957 10.221 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.124 10.154 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.520 10.845 12.365 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.519 7.351 4.087 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.529 7.417 3.025 1.00 0.00 C ATOM 1192 C GLN A 73 -4.009 8.349 1.910 1.00 0.00 C ATOM 1193 O GLN A 73 -3.223 9.118 1.358 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.217 6.023 2.478 1.00 0.00 C ATOM 1195 CG GLN A 73 -1.917 6.029 1.672 1.00 0.00 C ATOM 1196 CD GLN A 73 -0.815 6.789 2.413 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -0.008 7.492 1.827 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -0.827 6.611 3.731 1.00 0.00 N ATOM 0 H GLN A 73 -4.971 6.443 4.193 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.606 7.823 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.135 5.315 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.039 5.684 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.595 5.004 1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.090 6.490 0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.531 6.009 4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.132 7.077 4.315 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.296 8.248 1.611 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.889 9.072 0.571 1.00 0.00 C ATOM 1209 C ILE A 74 -6.173 10.467 1.132 1.00 0.00 C ATOM 1210 O ILE A 74 -6.599 10.604 2.278 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.121 8.384 -0.020 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -6.939 8.123 -1.516 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.390 9.187 0.272 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -7.931 8.945 -2.341 1.00 0.00 C ATOM 0 H ILE A 74 -5.944 7.609 2.070 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.194 9.197 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.235 7.414 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.920 8.373 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.079 7.062 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.251 8.676 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.524 9.277 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.301 10.181 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.780 8.741 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.949 8.675 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.772 10.006 -2.150 1.00 0.00 H new ATOM 1226 N PRO A 75 -5.920 11.493 0.276 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.144 12.872 0.674 1.00 0.00 C ATOM 1228 C PRO A 75 -7.637 13.204 0.685 1.00 0.00 C ATOM 1229 O PRO A 75 -8.114 13.962 -0.159 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.358 13.703 -0.326 1.00 0.00 C ATOM 1231 CG PRO A 75 -5.104 12.793 -1.517 1.00 0.00 C ATOM 1232 CD PRO A 75 -5.415 11.368 -1.088 1.00 0.00 C ATOM 0 HA PRO A 75 -5.809 13.076 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.919 14.589 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.420 14.051 0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.731 13.083 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.068 12.875 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.155 10.910 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.525 10.740 -1.125 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.334 12.621 1.649 1.00 0.00 N ATOM 1241 CA LYS A 76 -9.763 12.845 1.780 1.00 0.00 C ATOM 1242 C LYS A 76 -10.349 11.820 2.753 1.00 0.00 C ATOM 1243 O LYS A 76 -11.457 11.326 2.548 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.435 12.842 0.406 1.00 0.00 C ATOM 1245 CG LYS A 76 -10.936 14.240 0.037 1.00 0.00 C ATOM 1246 CD LYS A 76 -11.851 14.800 1.127 1.00 0.00 C ATOM 1247 CE LYS A 76 -11.327 16.140 1.647 1.00 0.00 C ATOM 1248 NZ LYS A 76 -10.520 15.942 2.871 1.00 0.00 N ATOM 0 H LYS A 76 -7.935 11.993 2.347 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.956 13.832 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.728 12.495 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.270 12.141 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.087 14.908 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.475 14.199 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.858 14.928 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.920 14.088 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.722 16.623 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.163 16.806 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.556 16.803 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.902 15.141 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.534 15.743 2.608 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.579 11.529 3.792 1.00 0.00 N ATOM 1263 CA LEU A 77 -10.007 10.572 4.797 1.00 0.00 C ATOM 1264 C LEU A 77 -11.437 10.900 5.231 1.00 0.00 C ATOM 1265 O LEU A 77 -12.343 10.084 5.065 1.00 0.00 O ATOM 1266 CB LEU A 77 -9.008 10.527 5.955 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.998 11.675 6.014 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -7.621 11.999 7.461 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.770 11.369 5.155 1.00 0.00 C ATOM 0 H LEU A 77 -8.661 11.940 3.959 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.023 9.565 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.567 10.513 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.458 9.588 5.898 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.468 12.566 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.902 12.818 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.514 12.291 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.178 11.119 7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.068 12.201 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.289 10.461 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.077 11.227 4.119 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.596 12.096 5.778 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.901 12.542 6.237 1.00 0.00 C ATOM 1283 C ASP A 78 -13.970 12.081 5.244 1.00 0.00 C ATOM 1284 O ASP A 78 -15.119 11.860 5.623 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.962 14.068 6.324 1.00 0.00 C ATOM 1286 CG ASP A 78 -14.229 14.628 6.973 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -15.322 14.288 6.471 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.076 15.384 7.957 1.00 0.00 O ATOM 0 H ASP A 78 -10.843 12.770 5.914 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.075 12.118 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.097 14.420 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.875 14.478 5.318 1.00 0.00 H new ATOM 1293 N SER A 79 -13.554 11.951 3.993 1.00 0.00 N ATOM 1294 CA SER A 79 -14.462 11.521 2.943 1.00 0.00 C ATOM 1295 C SER A 79 -14.493 9.993 2.871 1.00 0.00 C ATOM 1296 O SER A 79 -15.548 9.382 3.032 1.00 0.00 O ATOM 1297 CB SER A 79 -14.057 12.108 1.590 1.00 0.00 C ATOM 1298 OG SER A 79 -14.287 13.513 1.527 1.00 0.00 O ATOM 0 H SER A 79 -12.600 12.136 3.683 1.00 0.00 H new ATOM 0 HA SER A 79 -15.460 11.887 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.002 11.905 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.618 11.613 0.797 1.00 0.00 H new ATOM 0 HG SER A 79 -14.042 13.923 2.383 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.323 9.420 2.630 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.203 7.975 2.534 1.00 0.00 C ATOM 1306 C VAL A 80 -13.199 7.374 3.942 1.00 0.00 C ATOM 1307 O VAL A 80 -13.916 6.412 4.212 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.960 7.606 1.723 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.685 8.067 2.432 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.917 6.103 1.440 1.00 0.00 C ATOM 0 H VAL A 80 -12.450 9.930 2.498 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.057 7.555 2.003 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.018 8.126 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.816 7.792 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.710 9.149 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.619 7.589 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.024 5.867 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.895 5.556 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.802 5.814 0.874 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.383 7.967 4.801 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.276 7.502 6.174 1.00 0.00 C ATOM 1322 C LEU A 81 -13.677 7.382 6.777 1.00 0.00 C ATOM 1323 O LEU A 81 -13.850 6.785 7.839 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.337 8.407 6.974 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.922 9.021 8.248 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -11.865 8.029 9.411 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.230 10.343 8.587 1.00 0.00 C ATOM 0 H LEU A 81 -11.790 8.765 4.573 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.828 6.509 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.452 7.831 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.003 9.216 6.324 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.973 9.245 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.287 8.490 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.439 7.138 9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.828 7.751 9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.664 10.758 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.165 10.167 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.367 11.046 7.766 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.641 7.957 6.074 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.021 7.922 6.528 1.00 0.00 C ATOM 1341 C LYS A 82 -16.864 7.137 5.521 1.00 0.00 C ATOM 1342 O LYS A 82 -16.819 5.908 5.492 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.536 9.339 6.789 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.367 9.721 8.261 1.00 0.00 C ATOM 1345 CD LYS A 82 -15.170 10.654 8.451 1.00 0.00 C ATOM 1346 CE LYS A 82 -15.601 11.976 9.091 1.00 0.00 C ATOM 1347 NZ LYS A 82 -14.419 12.737 9.553 1.00 0.00 N ATOM 0 H LYS A 82 -14.494 8.450 5.193 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.095 7.401 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.996 10.048 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.588 9.405 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.273 10.209 8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.230 8.821 8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.422 10.169 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.700 10.849 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.164 12.569 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.266 11.780 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.500 13.726 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.368 12.702 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.557 12.318 9.150 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.614 7.879 4.719 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.466 7.269 3.713 1.00 0.00 C ATOM 1363 C TYR A 83 -18.677 8.212 2.527 1.00 0.00 C ATOM 1364 O TYR A 83 -19.360 7.862 1.565 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.812 7.018 4.396 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.947 5.625 5.013 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -19.914 4.506 4.204 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -20.102 5.486 6.377 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.041 3.195 4.785 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.230 4.174 6.957 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.193 3.093 6.133 1.00 0.00 C ATOM 1372 OH TYR A 83 -20.313 1.855 6.681 1.00 0.00 O ATOM 0 H TYR A 83 -17.649 8.898 4.746 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.014 6.354 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.957 7.765 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.610 7.160 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.793 4.614 3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -20.127 6.361 7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -20.016 2.312 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -20.353 4.051 8.023 1.00 0.00 H new ATOM 0 HH TYR A 83 -20.414 1.936 7.652 1.00 0.00 H new ATOM 1382 N LYS A 84 -18.078 9.389 2.634 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.191 10.385 1.582 1.00 0.00 C ATOM 1384 C LYS A 84 -17.758 9.766 0.251 1.00 0.00 C ATOM 1385 O LYS A 84 -18.096 8.621 -0.044 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.414 11.648 1.955 1.00 0.00 C ATOM 1387 CG LYS A 84 -18.067 12.893 1.350 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.282 14.155 1.711 1.00 0.00 C ATOM 1389 CE LYS A 84 -16.829 14.898 0.453 1.00 0.00 C ATOM 1390 NZ LYS A 84 -16.195 16.187 0.811 1.00 0.00 N ATOM 0 H LYS A 84 -17.513 9.675 3.433 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.228 10.700 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.372 11.746 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.386 11.564 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.119 12.790 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.092 12.982 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.902 14.811 2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.413 13.887 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.124 14.282 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.684 15.076 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.894 16.678 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.878 16.779 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.367 16.011 1.415 1.00 0.00 H new ATOM 1404 N HIS A 85 -17.018 10.552 -0.517 1.00 0.00 N ATOM 1405 CA HIS A 85 -16.535 10.096 -1.809 1.00 0.00 C ATOM 1406 C HIS A 85 -16.219 8.601 -1.741 1.00 0.00 C ATOM 1407 O HIS A 85 -16.131 7.933 -2.770 1.00 0.00 O ATOM 1408 CB HIS A 85 -15.341 10.934 -2.270 1.00 0.00 C ATOM 1409 CG HIS A 85 -14.024 10.511 -1.666 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -13.523 9.226 -1.784 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -13.110 11.215 -0.938 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -12.360 9.171 -1.152 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -12.106 10.404 -0.628 1.00 0.00 N ATOM 0 H HIS A 85 -16.741 11.502 -0.269 1.00 0.00 H new ATOM 0 HA HIS A 85 -17.313 10.234 -2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.267 10.875 -3.356 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.525 11.979 -2.019 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -13.973 8.453 -2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -13.190 12.256 -0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.724 8.302 -1.067 1.00 0.00 H new ATOM 1421 N THR A 86 -16.056 8.119 -0.517 1.00 0.00 N ATOM 1422 CA THR A 86 -15.751 6.715 -0.301 1.00 0.00 C ATOM 1423 C THR A 86 -16.687 5.832 -1.129 1.00 0.00 C ATOM 1424 O THR A 86 -16.351 4.692 -1.447 1.00 0.00 O ATOM 1425 CB THR A 86 -15.829 6.440 1.202 1.00 0.00 C ATOM 1426 OG1 THR A 86 -14.598 5.787 1.501 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.897 5.402 1.554 1.00 0.00 C ATOM 0 H THR A 86 -16.129 8.676 0.335 1.00 0.00 H new ATOM 0 HA THR A 86 -14.743 6.473 -0.639 1.00 0.00 H new ATOM 0 HB THR A 86 -16.040 7.370 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.539 4.952 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.910 5.245 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.874 5.760 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.669 4.461 1.053 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.843 6.392 -1.454 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.830 5.670 -2.239 1.00 0.00 C ATOM 1437 C ASP A 87 -18.113 4.743 -3.223 1.00 0.00 C ATOM 1438 O ASP A 87 -16.969 4.354 -2.995 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.702 6.632 -3.047 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.210 6.412 -2.906 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.596 5.743 -1.923 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.942 6.916 -3.785 1.00 0.00 O ATOM 0 H ASP A 87 -18.118 7.337 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.459 5.104 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.469 7.652 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.434 6.544 -4.100 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.835 4.406 -4.325 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.281 3.531 -5.345 1.00 0.00 C ATOM 1449 C PRO A 88 -17.253 4.272 -6.202 1.00 0.00 C ATOM 1450 O PRO A 88 -16.974 3.868 -7.330 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.480 3.046 -6.142 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.605 4.023 -5.839 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.194 4.846 -4.629 1.00 0.00 C ATOM 0 HA PRO A 88 -17.733 2.688 -4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.257 3.025 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.756 2.031 -5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.790 4.670 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.533 3.487 -5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.225 5.913 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.864 4.673 -3.787 1.00 0.00 H new ATOM 1461 N THR A 89 -16.717 5.342 -5.634 1.00 0.00 N ATOM 1462 CA THR A 89 -15.726 6.143 -6.333 1.00 0.00 C ATOM 1463 C THR A 89 -14.355 5.465 -6.274 1.00 0.00 C ATOM 1464 O THR A 89 -13.665 5.364 -7.287 1.00 0.00 O ATOM 1465 CB THR A 89 -15.736 7.546 -5.723 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.419 8.403 -6.817 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.589 7.763 -4.734 1.00 0.00 C ATOM 0 H THR A 89 -16.950 5.673 -4.698 1.00 0.00 H new ATOM 0 HA THR A 89 -15.965 6.232 -7.393 1.00 0.00 H new ATOM 0 HB THR A 89 -16.687 7.715 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.448 8.527 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.643 8.774 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.669 7.043 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.636 7.627 -5.246 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.002 5.019 -5.078 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.727 4.354 -4.874 1.00 0.00 C ATOM 1477 C PHE A 90 -12.920 2.853 -4.652 1.00 0.00 C ATOM 1478 O PHE A 90 -11.980 2.073 -4.800 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.099 4.965 -3.620 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.284 6.233 -3.886 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.235 6.197 -4.751 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.610 7.395 -3.259 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.479 7.374 -4.998 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -10.854 8.571 -3.507 1.00 0.00 C ATOM 1485 CZ PHE A 90 -9.804 8.536 -4.371 1.00 0.00 C ATOM 0 H PHE A 90 -14.577 5.105 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.095 4.486 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.890 5.197 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.454 4.222 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.977 5.274 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.444 7.423 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.646 7.346 -5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.113 9.494 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.229 9.431 -4.559 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.146 2.492 -4.302 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.475 1.098 -4.059 1.00 0.00 C ATOM 1497 C GLY A 91 -13.910 0.200 -5.162 1.00 0.00 C ATOM 1498 O GLY A 91 -13.143 0.658 -6.007 1.00 0.00 O ATOM 0 H GLY A 91 -14.923 3.141 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.075 0.789 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.557 0.980 -4.008 1.00 0.00 H new ATOM 1502 N MET A 92 -14.311 -1.062 -5.118 1.00 0.00 N ATOM 1503 CA MET A 92 -13.854 -2.027 -6.103 1.00 0.00 C ATOM 1504 C MET A 92 -12.478 -1.643 -6.650 1.00 0.00 C ATOM 1505 O MET A 92 -11.453 -2.023 -6.085 1.00 0.00 O ATOM 1506 CB MET A 92 -14.860 -2.098 -7.253 1.00 0.00 C ATOM 1507 CG MET A 92 -15.404 -0.708 -7.592 1.00 0.00 C ATOM 1508 SD MET A 92 -16.686 -0.256 -6.435 1.00 0.00 S ATOM 1509 CE MET A 92 -16.511 1.520 -6.457 1.00 0.00 C ATOM 0 H MET A 92 -14.947 -1.438 -4.415 1.00 0.00 H new ATOM 0 HA MET A 92 -13.772 -3.001 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.383 -2.530 -8.132 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.683 -2.758 -6.981 1.00 0.00 H new ATOM 0 HG2 MET A 92 -14.598 0.025 -7.559 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.800 -0.701 -8.607 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.733 1.920 -5.468 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.490 1.782 -6.733 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.203 1.945 -7.184 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.499 -0.894 -7.743 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.266 -0.454 -8.372 1.00 0.00 C ATOM 1521 C ASP A 93 -11.016 1.015 -8.023 1.00 0.00 C ATOM 1522 O ASP A 93 -11.629 1.908 -8.605 1.00 0.00 O ATOM 1523 CB ASP A 93 -11.353 -0.569 -9.895 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.664 -1.973 -10.421 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.472 -2.927 -9.637 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -12.086 -2.059 -11.594 1.00 0.00 O ATOM 0 H ASP A 93 -13.351 -0.581 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.457 -1.088 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.122 0.115 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.407 -0.238 -10.324 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.114 1.219 -7.075 1.00 0.00 N ATOM 1532 CA LEU A 94 -9.775 2.564 -6.641 1.00 0.00 C ATOM 1533 C LEU A 94 -8.891 3.228 -7.698 1.00 0.00 C ATOM 1534 O LEU A 94 -8.958 4.440 -7.896 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.149 2.535 -5.245 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.863 3.345 -5.070 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.093 4.549 -4.155 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.719 2.458 -4.574 1.00 0.00 C ATOM 0 H LEU A 94 -9.607 0.475 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.674 3.173 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.886 2.902 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.940 1.498 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.569 3.734 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.163 5.107 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.856 5.195 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.424 4.204 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.817 3.059 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.989 2.019 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.535 1.663 -5.297 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.082 2.405 -8.350 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.186 2.898 -9.382 1.00 0.00 C ATOM 1552 C GLN A 95 -7.963 3.720 -10.412 1.00 0.00 C ATOM 1553 O GLN A 95 -7.404 4.610 -11.050 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.436 1.745 -10.053 1.00 0.00 C ATOM 1555 CG GLN A 95 -5.256 2.264 -10.876 1.00 0.00 C ATOM 1556 CD GLN A 95 -5.493 2.047 -12.372 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -6.280 2.728 -13.008 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -4.770 1.061 -12.897 1.00 0.00 N ATOM 0 H GLN A 95 -8.029 1.400 -8.183 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.445 3.546 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.077 1.050 -9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.117 1.190 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.109 3.326 -10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.343 1.753 -10.571 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.129 0.529 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.857 0.837 -13.888 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.240 3.392 -10.542 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.100 4.089 -11.483 1.00 0.00 C ATOM 1569 C LYS A 96 -10.358 5.510 -10.977 1.00 0.00 C ATOM 1570 O LYS A 96 -10.706 6.396 -11.755 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.377 3.286 -11.739 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.048 1.881 -12.248 1.00 0.00 C ATOM 1573 CD LYS A 96 -9.906 1.919 -13.265 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.257 2.822 -14.450 1.00 0.00 C ATOM 1575 NZ LYS A 96 -11.103 2.094 -15.422 1.00 0.00 N ATOM 0 H LYS A 96 -9.700 2.652 -10.011 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.609 4.180 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.958 3.217 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.997 3.805 -12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.771 1.242 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.933 1.440 -12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.998 2.281 -12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.698 0.910 -13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.781 3.710 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.344 3.164 -14.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.332 2.720 -16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.590 1.260 -15.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.982 1.789 -14.957 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.177 5.682 -9.675 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.386 6.979 -9.056 1.00 0.00 C ATOM 1591 C CYS A 97 -9.036 7.695 -8.973 1.00 0.00 C ATOM 1592 O CYS A 97 -8.938 8.881 -9.285 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.048 6.850 -7.683 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.542 7.904 -7.607 1.00 0.00 S ATOM 0 H CYS A 97 -9.888 4.944 -9.033 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.072 7.568 -9.664 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.317 5.810 -7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.346 7.143 -6.903 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.598 7.176 -7.821 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.029 6.944 -8.553 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.689 7.492 -8.425 1.00 0.00 C ATOM 1602 C VAL A 98 -6.089 7.688 -9.819 1.00 0.00 C ATOM 1603 O VAL A 98 -5.252 8.567 -10.020 1.00 0.00 O ATOM 1604 CB VAL A 98 -5.838 6.590 -7.529 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -6.659 6.051 -6.356 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -5.215 5.448 -8.334 1.00 0.00 C ATOM 0 H VAL A 98 -8.114 5.960 -8.297 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.720 8.469 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.027 7.193 -7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.031 5.413 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.032 6.884 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.500 5.472 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.615 4.822 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.005 4.847 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.580 5.860 -9.118 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.539 6.855 -10.745 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.057 6.926 -12.114 1.00 0.00 C ATOM 1618 C GLN A 99 -5.818 8.383 -12.518 1.00 0.00 C ATOM 1619 O GLN A 99 -4.866 8.683 -13.237 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.032 6.244 -13.075 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.481 6.595 -12.727 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.908 7.897 -13.406 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -9.220 8.888 -12.766 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.905 7.841 -14.735 1.00 0.00 N ATOM 0 H GLN A 99 -7.233 6.127 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.108 6.393 -12.172 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.815 6.552 -14.098 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.895 5.163 -13.031 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.140 5.785 -13.039 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.586 6.693 -11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.633 6.980 -15.209 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.175 8.660 -15.281 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.698 9.249 -12.037 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.594 10.666 -12.339 1.00 0.00 C ATOM 1635 C ARG A 100 -7.935 11.361 -12.093 1.00 0.00 C ATOM 1636 O ARG A 100 -8.371 12.180 -12.900 1.00 0.00 O ATOM 1637 CB ARG A 100 -6.170 10.891 -13.792 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.919 12.375 -14.067 1.00 0.00 C ATOM 1639 CD ARG A 100 -4.431 12.711 -13.942 1.00 0.00 C ATOM 1640 NE ARG A 100 -4.109 13.893 -14.772 1.00 0.00 N ATOM 1641 CZ ARG A 100 -3.880 13.845 -16.091 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -3.937 12.673 -16.739 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -3.594 14.969 -16.764 1.00 0.00 N ATOM 0 H ARG A 100 -7.486 8.996 -11.440 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.835 11.090 -11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.266 10.320 -14.003 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.945 10.519 -14.462 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.270 12.628 -15.068 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.493 12.981 -13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.180 12.909 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.829 11.859 -14.258 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.058 14.801 -14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.155 11.818 -16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.763 12.637 -17.743 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.551 15.861 -16.272 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.420 14.932 -17.768 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.553 11.007 -10.976 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.835 11.586 -10.614 1.00 0.00 C ATOM 1659 C GLY A 101 -9.867 11.966 -9.132 1.00 0.00 C ATOM 1660 O GLY A 101 -8.832 11.972 -8.467 1.00 0.00 O ATOM 0 H GLY A 101 -8.189 10.326 -10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.024 12.470 -11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.633 10.875 -10.828 1.00 0.00 H new ATOM 1664 N LEU A 102 -11.065 12.275 -8.659 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.245 12.656 -7.268 1.00 0.00 C ATOM 1666 C LEU A 102 -10.071 13.532 -6.828 1.00 0.00 C ATOM 1667 O LEU A 102 -9.821 14.583 -7.417 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.448 11.416 -6.395 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.258 11.623 -5.114 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.333 10.545 -4.964 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.341 11.692 -3.890 1.00 0.00 C ATOM 0 H LEU A 102 -11.921 12.269 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.150 13.252 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.942 10.651 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.468 11.024 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.772 12.582 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.894 10.716 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.011 10.586 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.861 9.563 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.942 11.840 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.781 10.761 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.646 12.524 -4.002 1.00 0.00 H new ATOM 1683 N TRP A 103 -9.381 13.069 -5.796 1.00 0.00 N ATOM 1684 CA TRP A 103 -8.240 13.797 -5.270 1.00 0.00 C ATOM 1685 C TRP A 103 -6.972 13.036 -5.661 1.00 0.00 C ATOM 1686 O TRP A 103 -7.017 11.831 -5.906 1.00 0.00 O ATOM 1687 CB TRP A 103 -8.370 14.005 -3.760 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.547 15.467 -3.346 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.617 16.432 -3.306 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -9.771 16.096 -2.911 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -8.151 17.631 -2.880 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -9.502 17.420 -2.632 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -11.063 15.563 -2.760 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -10.474 18.322 -2.184 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -12.024 16.477 -2.311 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -11.769 17.814 -2.025 1.00 0.00 C ATOM 0 H TRP A 103 -9.591 12.197 -5.310 1.00 0.00 H new ATOM 0 HA TRP A 103 -8.192 14.798 -5.698 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -9.221 13.430 -3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.482 13.605 -3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.580 16.289 -3.574 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.647 18.511 -2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -11.296 14.530 -2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.238 19.354 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -13.034 16.119 -2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -12.566 18.457 -1.682 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.870 13.770 -5.709 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.591 13.179 -6.066 1.00 0.00 C ATOM 1709 C ASN A 104 -4.024 12.431 -4.858 1.00 0.00 C ATOM 1710 O ASN A 104 -3.610 13.050 -3.879 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.582 14.254 -6.473 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.804 14.695 -7.921 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.804 15.302 -8.267 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.818 14.356 -8.747 1.00 0.00 N ATOM 0 H ASN A 104 -5.836 14.769 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.755 12.502 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.674 15.114 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.569 13.869 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.872 14.604 -9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.008 13.848 -8.393 1.00 0.00 H new ATOM 1721 N PRO A 105 -4.024 11.076 -4.969 1.00 0.00 N ATOM 1722 CA PRO A 105 -3.515 10.237 -3.898 1.00 0.00 C ATOM 1723 C PRO A 105 -1.985 10.269 -3.857 1.00 0.00 C ATOM 1724 O PRO A 105 -1.394 10.479 -2.799 1.00 0.00 O ATOM 1725 CB PRO A 105 -4.072 8.852 -4.183 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.486 8.863 -5.646 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.507 10.309 -6.114 1.00 0.00 C ATOM 0 HA PRO A 105 -3.825 10.581 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.323 8.083 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.923 8.633 -3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.788 8.278 -6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.469 8.408 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.868 10.453 -6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.512 10.618 -6.402 1.00 0.00 H new ATOM 1735 N LYS A 106 -1.389 10.057 -5.021 1.00 0.00 N ATOM 1736 CA LYS A 106 0.060 10.058 -5.131 1.00 0.00 C ATOM 1737 C LYS A 106 0.663 9.439 -3.869 1.00 0.00 C ATOM 1738 O LYS A 106 1.761 9.808 -3.456 1.00 0.00 O ATOM 1739 CB LYS A 106 0.573 11.468 -5.429 1.00 0.00 C ATOM 1740 CG LYS A 106 -0.551 12.499 -5.302 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.800 12.861 -3.837 1.00 0.00 C ATOM 1742 CE LYS A 106 0.384 12.446 -2.961 1.00 0.00 C ATOM 1743 NZ LYS A 106 0.165 12.867 -1.559 1.00 0.00 N ATOM 0 H LYS A 106 -1.883 9.883 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 106 0.379 9.443 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.380 11.718 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.990 11.502 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.291 13.397 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.465 12.102 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.965 13.935 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.707 12.369 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.516 11.365 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.301 12.895 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.978 12.577 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.062 13.901 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.699 12.419 -1.193 1.00 0.00 H new ATOM 1757 N GLU A 107 -0.081 8.507 -3.291 1.00 0.00 N ATOM 1758 CA GLU A 107 0.367 7.832 -2.085 1.00 0.00 C ATOM 1759 C GLU A 107 0.575 6.341 -2.356 1.00 0.00 C ATOM 1760 O GLU A 107 -0.063 5.773 -3.242 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.620 8.049 -0.937 1.00 0.00 C ATOM 1762 CG GLU A 107 -0.411 9.417 -0.284 1.00 0.00 C ATOM 1763 CD GLU A 107 0.930 9.475 0.450 1.00 0.00 C ATOM 1764 OE1 GLU A 107 1.693 8.494 0.317 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.162 10.500 1.127 1.00 0.00 O ATOM 0 H GLU A 107 -0.992 8.203 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 107 1.323 8.262 -1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.641 7.973 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.495 7.264 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.447 10.197 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.222 9.617 0.416 1.00 0.00 H new ATOM 1772 N ALA A 108 1.468 5.749 -1.578 1.00 0.00 N ATOM 1773 CA ALA A 108 1.767 4.334 -1.723 1.00 0.00 C ATOM 1774 C ALA A 108 1.328 3.592 -0.459 1.00 0.00 C ATOM 1775 O ALA A 108 1.470 4.108 0.649 1.00 0.00 O ATOM 1776 CB ALA A 108 3.258 4.155 -2.016 1.00 0.00 C ATOM 0 H ALA A 108 1.995 6.223 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 108 1.216 3.909 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.483 3.094 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.513 4.676 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.842 4.567 -1.193 1.00 0.00 H new ATOM 1782 N LEU A 109 0.803 2.394 -0.667 1.00 0.00 N ATOM 1783 CA LEU A 109 0.342 1.576 0.442 1.00 0.00 C ATOM 1784 C LEU A 109 1.212 0.321 0.540 1.00 0.00 C ATOM 1785 O LEU A 109 1.246 -0.488 -0.386 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.153 1.279 0.304 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.102 2.336 0.873 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.519 2.149 0.329 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.070 2.335 2.402 1.00 0.00 C ATOM 0 H LEU A 109 0.686 1.970 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 109 0.451 2.114 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.381 1.146 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.362 0.329 0.796 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.758 3.317 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.174 2.913 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.507 2.239 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.888 1.162 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.753 3.095 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.375 1.356 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.059 2.553 2.745 1.00 0.00 H new ATOM 1801 N TRP A 110 1.892 0.198 1.670 1.00 0.00 N ATOM 1802 CA TRP A 110 2.759 -0.945 1.901 1.00 0.00 C ATOM 1803 C TRP A 110 2.111 -1.820 2.976 1.00 0.00 C ATOM 1804 O TRP A 110 1.956 -1.394 4.119 1.00 0.00 O ATOM 1805 CB TRP A 110 4.174 -0.494 2.271 1.00 0.00 C ATOM 1806 CG TRP A 110 5.053 -1.608 2.843 1.00 0.00 C ATOM 1807 CD1 TRP A 110 6.044 -1.499 3.738 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.978 -3.013 2.522 1.00 0.00 C ATOM 1809 NE1 TRP A 110 6.612 -2.726 4.015 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.943 -3.676 3.252 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.122 -3.701 1.643 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 6.144 -5.059 3.178 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.337 -5.083 1.580 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.304 -5.765 2.309 1.00 0.00 C ATOM 0 H TRP A 110 1.860 0.871 2.436 1.00 0.00 H new ATOM 0 HA TRP A 110 2.870 -1.535 0.991 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.657 -0.083 1.384 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.108 0.313 3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.359 -0.568 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 110 7.381 -2.903 4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.359 -3.203 1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.906 -5.555 3.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.707 -5.660 0.919 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.407 -6.835 2.205 1.00 0.00 H new ATOM 1825 N VAL A 111 1.749 -3.029 2.570 1.00 0.00 N ATOM 1826 CA VAL A 111 1.121 -3.968 3.483 1.00 0.00 C ATOM 1827 C VAL A 111 1.630 -5.380 3.186 1.00 0.00 C ATOM 1828 O VAL A 111 1.659 -5.802 2.031 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.401 -3.849 3.391 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -0.841 -2.384 3.439 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -0.930 -4.540 2.132 1.00 0.00 C ATOM 0 H VAL A 111 1.879 -3.379 1.621 1.00 0.00 H new ATOM 0 HA VAL A 111 1.390 -3.736 4.514 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.829 -4.355 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.927 -2.328 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.512 -1.936 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.397 -1.843 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.015 -4.441 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.489 -4.076 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.663 -5.597 2.157 1.00 0.00 H new ATOM 1841 N ASP A 112 2.018 -6.071 4.247 1.00 0.00 N ATOM 1842 CA ASP A 112 2.524 -7.426 4.114 1.00 0.00 C ATOM 1843 C ASP A 112 1.527 -8.402 4.742 1.00 0.00 C ATOM 1844 O ASP A 112 0.798 -8.042 5.666 1.00 0.00 O ATOM 1845 CB ASP A 112 3.863 -7.588 4.837 1.00 0.00 C ATOM 1846 CG ASP A 112 5.042 -7.964 3.937 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.793 -8.685 2.947 1.00 0.00 O ATOM 1848 OD2 ASP A 112 6.165 -7.522 4.261 1.00 0.00 O ATOM 0 H ASP A 112 1.992 -5.718 5.203 1.00 0.00 H new ATOM 0 HA ASP A 112 2.660 -7.632 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.098 -6.654 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.754 -8.353 5.606 1.00 0.00 H new ATOM 1853 N TRP A 113 1.526 -9.618 4.216 1.00 0.00 N ATOM 1854 CA TRP A 113 0.631 -10.649 4.713 1.00 0.00 C ATOM 1855 C TRP A 113 1.479 -11.720 5.401 1.00 0.00 C ATOM 1856 O TRP A 113 1.567 -11.754 6.628 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.241 -11.208 3.587 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.731 -11.273 3.927 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.662 -10.328 3.740 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.429 -12.386 4.526 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.904 -10.748 4.172 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.757 -12.039 4.665 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.953 -13.643 4.936 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.719 -12.895 5.215 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.926 -14.487 5.484 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.268 -14.153 5.631 1.00 0.00 C ATOM 0 H TRP A 113 2.131 -9.913 3.450 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.066 -10.236 5.442 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.108 -10.591 2.698 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.108 -12.209 3.335 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.465 -9.359 3.306 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.770 -10.210 4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.918 -13.935 4.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.753 -12.600 5.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.613 -15.466 5.816 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.959 -14.861 6.064 1.00 0.00 H new ATOM 1877 N GLU A 114 2.081 -12.569 4.582 1.00 0.00 N ATOM 1878 CA GLU A 114 2.919 -13.639 5.096 1.00 0.00 C ATOM 1879 C GLU A 114 4.043 -13.064 5.960 1.00 0.00 C ATOM 1880 O GLU A 114 4.740 -13.805 6.651 1.00 0.00 O ATOM 1881 CB GLU A 114 3.483 -14.490 3.956 1.00 0.00 C ATOM 1882 CG GLU A 114 2.473 -15.547 3.509 1.00 0.00 C ATOM 1883 CD GLU A 114 2.551 -16.791 4.397 1.00 0.00 C ATOM 1884 OE1 GLU A 114 3.599 -17.469 4.332 1.00 0.00 O ATOM 1885 OE2 GLU A 114 1.562 -17.035 5.120 1.00 0.00 O ATOM 0 H GLU A 114 2.005 -12.538 3.565 1.00 0.00 H new ATOM 0 HA GLU A 114 2.304 -14.288 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.741 -13.849 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.403 -14.976 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.466 -15.132 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.665 -15.823 2.472 1.00 0.00 H new ATOM 1892 N ASN A 115 4.184 -11.749 5.893 1.00 0.00 N ATOM 1893 CA ASN A 115 5.212 -11.066 6.660 1.00 0.00 C ATOM 1894 C ASN A 115 4.559 -10.312 7.821 1.00 0.00 C ATOM 1895 O ASN A 115 5.245 -9.862 8.737 1.00 0.00 O ATOM 1896 CB ASN A 115 5.959 -10.048 5.797 1.00 0.00 C ATOM 1897 CG ASN A 115 6.126 -10.561 4.365 1.00 0.00 C ATOM 1898 OD1 ASN A 115 5.671 -11.635 4.006 1.00 0.00 O ATOM 1899 ND2 ASN A 115 6.802 -9.737 3.570 1.00 0.00 N ATOM 0 H ASN A 115 3.603 -11.138 5.319 1.00 0.00 H new ATOM 0 HA ASN A 115 5.915 -11.815 7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.414 -9.104 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.938 -9.846 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.967 -9.989 2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.156 -8.852 3.935 1.00 0.00 H new ATOM 1906 N LYS A 116 3.241 -10.199 7.744 1.00 0.00 N ATOM 1907 CA LYS A 116 2.489 -9.507 8.777 1.00 0.00 C ATOM 1908 C LYS A 116 3.177 -8.180 9.102 1.00 0.00 C ATOM 1909 O LYS A 116 3.485 -7.903 10.260 1.00 0.00 O ATOM 1910 CB LYS A 116 2.294 -10.413 9.995 1.00 0.00 C ATOM 1911 CG LYS A 116 3.636 -10.753 10.646 1.00 0.00 C ATOM 1912 CD LYS A 116 3.434 -11.328 12.049 1.00 0.00 C ATOM 1913 CE LYS A 116 3.343 -10.212 13.092 1.00 0.00 C ATOM 1914 NZ LYS A 116 2.337 -10.549 14.124 1.00 0.00 N ATOM 0 H LYS A 116 2.675 -10.575 6.983 1.00 0.00 H new ATOM 0 HA LYS A 116 1.487 -9.267 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.649 -9.918 10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.789 -11.331 9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.172 -11.473 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.255 -9.857 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.524 -11.927 12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.261 -11.994 12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.316 -10.063 13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.075 -9.273 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.287 -9.782 14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.406 -10.669 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.609 -11.433 14.598 1.00 0.00 H new ATOM 1928 N LEU A 117 3.398 -7.394 8.058 1.00 0.00 N ATOM 1929 CA LEU A 117 4.044 -6.102 8.218 1.00 0.00 C ATOM 1930 C LEU A 117 3.457 -5.115 7.207 1.00 0.00 C ATOM 1931 O LEU A 117 3.642 -5.272 6.001 1.00 0.00 O ATOM 1932 CB LEU A 117 5.564 -6.248 8.124 1.00 0.00 C ATOM 1933 CG LEU A 117 6.182 -5.961 6.754 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.066 -4.477 6.400 1.00 0.00 C ATOM 1935 CD2 LEU A 117 7.629 -6.454 6.690 1.00 0.00 C ATOM 0 H LEU A 117 3.141 -7.627 7.099 1.00 0.00 H new ATOM 0 HA LEU A 117 3.847 -5.697 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.019 -5.578 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.830 -7.264 8.415 1.00 0.00 H new ATOM 0 HG LEU A 117 5.620 -6.516 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.513 -4.300 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.015 -4.190 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.588 -3.882 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.044 -6.237 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.220 -5.947 7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.655 -7.529 6.866 1.00 0.00 H new ATOM 1947 N VAL A 118 2.762 -4.119 7.736 1.00 0.00 N ATOM 1948 CA VAL A 118 2.147 -3.106 6.895 1.00 0.00 C ATOM 1949 C VAL A 118 2.506 -1.718 7.431 1.00 0.00 C ATOM 1950 O VAL A 118 2.757 -1.555 8.624 1.00 0.00 O ATOM 1951 CB VAL A 118 0.638 -3.342 6.811 1.00 0.00 C ATOM 1952 CG1 VAL A 118 0.323 -4.835 6.687 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.082 -2.727 8.012 1.00 0.00 C ATOM 0 H VAL A 118 2.611 -3.992 8.737 1.00 0.00 H new ATOM 0 HA VAL A 118 2.530 -3.171 5.877 1.00 0.00 H new ATOM 0 HB VAL A 118 0.271 -2.846 5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.756 -4.976 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.790 -5.232 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.711 -5.362 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.153 -2.910 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.291 -3.179 8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.102 -1.653 8.036 1.00 0.00 H new ATOM 1963 N GLY A 119 2.518 -0.754 6.523 1.00 0.00 N ATOM 1964 CA GLY A 119 2.842 0.615 6.889 1.00 0.00 C ATOM 1965 C GLY A 119 2.471 1.585 5.765 1.00 0.00 C ATOM 1966 O GLY A 119 3.018 1.506 4.666 1.00 0.00 O ATOM 0 H GLY A 119 2.309 -0.893 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.309 0.888 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.907 0.695 7.106 1.00 0.00 H new ATOM 1970 N ASN A 120 1.544 2.478 6.080 1.00 0.00 N ATOM 1971 CA ASN A 120 1.093 3.462 5.110 1.00 0.00 C ATOM 1972 C ASN A 120 2.303 4.220 4.560 1.00 0.00 C ATOM 1973 O ASN A 120 3.368 4.228 5.176 1.00 0.00 O ATOM 1974 CB ASN A 120 0.151 4.480 5.756 1.00 0.00 C ATOM 1975 CG ASN A 120 0.457 4.641 7.247 1.00 0.00 C ATOM 1976 OD1 ASN A 120 0.430 3.695 8.018 1.00 0.00 O ATOM 1977 ND2 ASN A 120 0.747 5.887 7.608 1.00 0.00 N ATOM 0 H ASN A 120 1.093 2.541 6.993 1.00 0.00 H new ATOM 0 HA ASN A 120 0.565 2.935 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.251 5.443 5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.882 4.158 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.965 6.098 8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.752 6.632 6.911 1.00 0.00 H new ATOM 1984 N GLU A 121 2.099 4.839 3.406 1.00 0.00 N ATOM 1985 CA GLU A 121 3.160 5.598 2.766 1.00 0.00 C ATOM 1986 C GLU A 121 4.200 4.652 2.163 1.00 0.00 C ATOM 1987 O GLU A 121 4.382 3.535 2.645 1.00 0.00 O ATOM 1988 CB GLU A 121 3.810 6.570 3.752 1.00 0.00 C ATOM 1989 CG GLU A 121 3.515 8.021 3.366 1.00 0.00 C ATOM 1990 CD GLU A 121 4.581 8.965 3.928 1.00 0.00 C ATOM 1991 OE1 GLU A 121 5.770 8.589 3.850 1.00 0.00 O ATOM 1992 OE2 GLU A 121 4.181 10.041 4.422 1.00 0.00 O ATOM 0 H GLU A 121 1.215 4.830 2.898 1.00 0.00 H new ATOM 0 HA GLU A 121 2.723 6.187 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.439 6.375 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.888 6.407 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.479 8.112 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.534 8.309 3.743 1.00 0.00 H new ATOM 1999 N PRO A 122 4.873 5.146 1.090 1.00 0.00 N ATOM 2000 CA PRO A 122 5.890 4.357 0.416 1.00 0.00 C ATOM 2001 C PRO A 122 7.177 4.302 1.241 1.00 0.00 C ATOM 2002 O PRO A 122 7.818 3.256 1.328 1.00 0.00 O ATOM 2003 CB PRO A 122 6.078 5.029 -0.935 1.00 0.00 C ATOM 2004 CG PRO A 122 5.505 6.429 -0.787 1.00 0.00 C ATOM 2005 CD PRO A 122 4.684 6.464 0.491 1.00 0.00 C ATOM 0 HA PRO A 122 5.599 3.314 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.132 5.065 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.563 4.477 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.306 7.167 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 122 4.884 6.680 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.025 7.255 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.632 6.656 0.281 1.00 0.00 H new ATOM 2013 N ALA A 123 7.517 5.441 1.826 1.00 0.00 N ATOM 2014 CA ALA A 123 8.716 5.536 2.641 1.00 0.00 C ATOM 2015 C ALA A 123 8.733 4.387 3.651 1.00 0.00 C ATOM 2016 O ALA A 123 9.799 3.944 4.074 1.00 0.00 O ATOM 2017 CB ALA A 123 8.767 6.907 3.317 1.00 0.00 C ATOM 0 H ALA A 123 6.983 6.307 1.752 1.00 0.00 H new ATOM 0 HA ALA A 123 9.609 5.445 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.667 6.978 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.783 7.687 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.888 7.034 3.949 1.00 0.00 H new ATOM 2023 N ASP A 124 7.539 3.937 4.007 1.00 0.00 N ATOM 2024 CA ASP A 124 7.403 2.847 4.959 1.00 0.00 C ATOM 2025 C ASP A 124 8.192 1.636 4.457 1.00 0.00 C ATOM 2026 O ASP A 124 8.879 0.974 5.233 1.00 0.00 O ATOM 2027 CB ASP A 124 5.939 2.428 5.111 1.00 0.00 C ATOM 2028 CG ASP A 124 5.442 2.331 6.555 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.976 1.467 7.283 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.538 3.124 6.898 1.00 0.00 O ATOM 0 H ASP A 124 6.657 4.307 3.654 1.00 0.00 H new ATOM 0 HA ASP A 124 7.781 3.191 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.314 3.142 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.802 1.460 4.629 1.00 0.00 H new ATOM 2035 N ILE A 125 8.066 1.383 3.163 1.00 0.00 N ATOM 2036 CA ILE A 125 8.758 0.263 2.548 1.00 0.00 C ATOM 2037 C ILE A 125 10.236 0.304 2.944 1.00 0.00 C ATOM 2038 O ILE A 125 10.761 -0.660 3.499 1.00 0.00 O ATOM 2039 CB ILE A 125 8.526 0.254 1.036 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.702 -0.965 0.615 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.852 0.339 0.277 1.00 0.00 C ATOM 2042 CD1 ILE A 125 8.240 -1.568 -0.684 1.00 0.00 C ATOM 0 H ILE A 125 7.495 1.935 2.523 1.00 0.00 H new ATOM 0 HA ILE A 125 8.355 -0.682 2.914 1.00 0.00 H new ATOM 0 HB ILE A 125 7.948 1.140 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.726 -1.715 1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.660 -0.675 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.658 0.331 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.367 1.261 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.477 -0.515 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.637 -2.433 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.192 -0.823 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.275 -1.879 -0.540 1.00 0.00 H new ATOM 2054 N ASP A 126 10.865 1.430 2.642 1.00 0.00 N ATOM 2055 CA ASP A 126 12.272 1.609 2.959 1.00 0.00 C ATOM 2056 C ASP A 126 12.524 1.178 4.405 1.00 0.00 C ATOM 2057 O ASP A 126 13.366 0.320 4.663 1.00 0.00 O ATOM 2058 CB ASP A 126 12.684 3.076 2.824 1.00 0.00 C ATOM 2059 CG ASP A 126 13.923 3.476 3.629 1.00 0.00 C ATOM 2060 OD1 ASP A 126 13.885 3.283 4.863 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.880 3.966 2.991 1.00 0.00 O ATOM 0 H ASP A 126 10.427 2.227 2.181 1.00 0.00 H new ATOM 0 HA ASP A 126 12.854 1.005 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.868 3.291 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.849 3.703 3.136 1.00 0.00 H new ATOM 2066 N LYS A 127 11.777 1.793 5.310 1.00 0.00 N ATOM 2067 CA LYS A 127 11.909 1.483 6.724 1.00 0.00 C ATOM 2068 C LYS A 127 11.836 -0.032 6.919 1.00 0.00 C ATOM 2069 O LYS A 127 12.700 -0.621 7.567 1.00 0.00 O ATOM 2070 CB LYS A 127 10.874 2.259 7.541 1.00 0.00 C ATOM 2071 CG LYS A 127 11.423 3.620 7.972 1.00 0.00 C ATOM 2072 CD LYS A 127 11.693 4.512 6.759 1.00 0.00 C ATOM 2073 CE LYS A 127 10.429 5.267 6.342 1.00 0.00 C ATOM 2074 NZ LYS A 127 10.182 6.407 7.253 1.00 0.00 N ATOM 0 H LYS A 127 11.079 2.504 5.092 1.00 0.00 H new ATOM 0 HA LYS A 127 12.882 1.806 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.969 2.399 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.593 1.681 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.711 4.109 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.344 3.482 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.485 5.223 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.049 3.904 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.535 5.628 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.574 4.591 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.438 7.015 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.877 6.050 8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.057 6.958 7.364 1.00 0.00 H new ATOM 2088 N TYR A 128 10.797 -0.621 6.345 1.00 0.00 N ATOM 2089 CA TYR A 128 10.599 -2.057 6.448 1.00 0.00 C ATOM 2090 C TYR A 128 11.453 -2.802 5.420 1.00 0.00 C ATOM 2091 O TYR A 128 12.556 -3.251 5.731 1.00 0.00 O ATOM 2092 CB TYR A 128 9.121 -2.303 6.140 1.00 0.00 C ATOM 2093 CG TYR A 128 8.162 -1.680 7.156 1.00 0.00 C ATOM 2094 CD1 TYR A 128 8.658 -1.066 8.287 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.799 -1.733 6.940 1.00 0.00 C ATOM 2096 CE1 TYR A 128 7.755 -0.480 9.244 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.896 -1.146 7.896 1.00 0.00 C ATOM 2098 CZ TYR A 128 6.419 -0.549 9.001 1.00 0.00 C ATOM 2099 OH TYR A 128 5.566 0.004 9.904 1.00 0.00 O ATOM 0 H TYR A 128 10.083 -0.130 5.807 1.00 0.00 H new ATOM 0 HA TYR A 128 10.884 -2.414 7.438 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.895 -1.905 5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.943 -3.378 6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.724 -1.025 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.411 -2.214 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 128 8.130 0.003 10.134 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.828 -1.179 7.739 1.00 0.00 H new ATOM 0 HH TYR A 128 4.643 -0.119 9.600 1.00 0.00 H new ATOM 2109 N ILE A 129 10.912 -2.912 4.216 1.00 0.00 N ATOM 2110 CA ILE A 129 11.610 -3.595 3.140 1.00 0.00 C ATOM 2111 C ILE A 129 11.842 -2.617 1.987 1.00 0.00 C ATOM 2112 O ILE A 129 10.960 -2.414 1.153 1.00 0.00 O ATOM 2113 CB ILE A 129 10.855 -4.861 2.731 1.00 0.00 C ATOM 2114 CG1 ILE A 129 9.354 -4.710 2.981 1.00 0.00 C ATOM 2115 CG2 ILE A 129 11.432 -6.094 3.430 1.00 0.00 C ATOM 2116 CD1 ILE A 129 9.007 -5.022 4.439 1.00 0.00 C ATOM 0 H ILE A 129 9.997 -2.539 3.961 1.00 0.00 H new ATOM 0 HA ILE A 129 12.591 -3.931 3.475 1.00 0.00 H new ATOM 0 HB ILE A 129 10.989 -5.007 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.042 -3.694 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.803 -5.379 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.877 -6.980 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.481 -6.209 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 129 11.350 -5.972 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.934 -4.907 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.299 -6.046 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 129 9.541 -4.335 5.095 1.00 0.00 H new ATOM 2128 N ILE A 130 13.033 -2.037 1.975 1.00 0.00 N ATOM 2129 CA ILE A 130 13.392 -1.085 0.938 1.00 0.00 C ATOM 2130 C ILE A 130 13.126 -1.709 -0.434 1.00 0.00 C ATOM 2131 O ILE A 130 12.255 -2.565 -0.572 1.00 0.00 O ATOM 2132 CB ILE A 130 14.833 -0.605 1.126 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.780 -1.786 1.344 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.925 0.421 2.258 1.00 0.00 C ATOM 2135 CD1 ILE A 130 16.562 -2.104 0.068 1.00 0.00 C ATOM 0 H ILE A 130 13.762 -2.208 2.667 1.00 0.00 H new ATOM 0 HA ILE A 130 12.771 -0.192 1.009 1.00 0.00 H new ATOM 0 HB ILE A 130 15.149 -0.104 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 130 16.474 -1.556 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.210 -2.662 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.959 0.746 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.298 1.281 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.583 -0.032 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 130 17.228 -2.947 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.866 -2.357 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 130 17.150 -1.234 -0.225 1.00 0.00 H new ATOM 2147 N GLN A 131 13.894 -1.254 -1.414 1.00 0.00 N ATOM 2148 CA GLN A 131 13.752 -1.756 -2.770 1.00 0.00 C ATOM 2149 C GLN A 131 14.386 -3.144 -2.891 1.00 0.00 C ATOM 2150 O GLN A 131 14.434 -3.715 -3.979 1.00 0.00 O ATOM 2151 CB GLN A 131 14.363 -0.784 -3.781 1.00 0.00 C ATOM 2152 CG GLN A 131 14.211 0.664 -3.311 1.00 0.00 C ATOM 2153 CD GLN A 131 15.471 1.139 -2.584 1.00 0.00 C ATOM 2154 OE1 GLN A 131 15.722 2.323 -2.433 1.00 0.00 O ATOM 2155 NE2 GLN A 131 16.247 0.152 -2.145 1.00 0.00 N ATOM 0 H GLN A 131 14.616 -0.543 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 131 12.689 -1.842 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.419 -1.016 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.878 -0.909 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.016 1.310 -4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.351 0.746 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 131 15.977 -0.819 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 131 17.112 0.366 -1.648 1.00 0.00 H new ATOM 2164 N ARG A 132 14.856 -3.645 -1.758 1.00 0.00 N ATOM 2165 CA ARG A 132 15.484 -4.955 -1.724 1.00 0.00 C ATOM 2166 C ARG A 132 15.926 -5.294 -0.299 1.00 0.00 C ATOM 2167 O ARG A 132 17.094 -5.126 0.050 1.00 0.00 O ATOM 2168 CB ARG A 132 16.699 -5.007 -2.653 1.00 0.00 C ATOM 2169 CG ARG A 132 17.557 -3.749 -2.505 1.00 0.00 C ATOM 2170 CD ARG A 132 18.726 -3.993 -1.547 1.00 0.00 C ATOM 2171 NE ARG A 132 20.003 -3.645 -2.209 1.00 0.00 N ATOM 2172 CZ ARG A 132 21.211 -3.851 -1.666 1.00 0.00 C ATOM 2173 NH1 ARG A 132 21.313 -4.404 -0.450 1.00 0.00 N ATOM 2174 NH2 ARG A 132 22.316 -3.504 -2.339 1.00 0.00 N ATOM 0 H ARG A 132 14.815 -3.168 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 132 14.749 -5.685 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.298 -5.889 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.367 -5.106 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.938 -3.447 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.944 -2.927 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.599 -3.394 -0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.741 -5.038 -1.236 1.00 0.00 H new ATOM 0 HE ARG A 132 19.961 -3.222 -3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 132 20.471 -4.668 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 132 22.232 -4.561 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 132 22.238 -3.083 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 132 23.235 -3.661 -1.926 1.00 0.00 H new ATOM 2188 N LYS A 133 14.969 -5.766 0.487 1.00 0.00 N ATOM 2189 CA LYS A 133 15.244 -6.130 1.866 1.00 0.00 C ATOM 2190 C LYS A 133 16.665 -6.690 1.967 1.00 0.00 C ATOM 2191 O LYS A 133 17.059 -7.208 3.011 1.00 0.00 O ATOM 2192 CB LYS A 133 14.169 -7.081 2.394 1.00 0.00 C ATOM 2193 CG LYS A 133 14.581 -8.541 2.192 1.00 0.00 C ATOM 2194 CD LYS A 133 13.578 -9.490 2.851 1.00 0.00 C ATOM 2195 CE LYS A 133 14.019 -10.947 2.697 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.198 -11.577 4.025 1.00 0.00 N ATOM 0 H LYS A 133 14.002 -5.905 0.194 1.00 0.00 H new ATOM 0 HA LYS A 133 15.201 -5.250 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 133 13.999 -6.891 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.226 -6.891 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 133 14.648 -8.760 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.573 -8.704 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.481 -9.245 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.594 -9.355 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.275 -11.500 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.953 -10.993 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 15.208 -11.762 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.839 -10.939 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 13.673 -12.474 4.057 1.00 0.00 H new TER 2210 LYS A 133