USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1032 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 20 ASN : amide:sc= -0.244 K(o=-1.5,f=-3.4!) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.27! C(o=-1.5!,f=-10!) USER MOD Set 2.1: A 35 ASN : amide:sc= -4.4! C(o=-4.1!,f=-7.5!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.319 K(o=-4.1,f=-8) USER MOD Set 3.1: A 32 THR OG1 : rot 160:sc= 0.405 USER MOD Set 3.2: A 44 THR OG1 : rot -29:sc= 0.639 USER MOD Set 4.1: A 10 MET CE :methyl -107:sc= -0.553 (180deg=0) USER MOD Set 4.2: A 76 GLN : amide:sc= -6.75! C(o=-7.3!,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -143:sc= -7.83! (180deg=-10.8!) USER MOD Single : A 15 THR OG1 : rot -35:sc= 1.25 USER MOD Single : A 19 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-13!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0543 K(o=-0.054,f=-1.8) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.444 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -91:sc= 1.21 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.4 K(o=-1.4,f=-6!) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.0574) USER MOD Single : A 61 SER OG : rot -4:sc= 0.396 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 69 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 70 GLN : amide:sc= -0.0613 K(o=-0.061,f=-1.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 CYS SG : rot -164:sc= -0.0884 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : 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 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -173:sc= -4.41! (180deg=-4.74!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 57:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.162 -29.818 10.892 1.00 0.00 N ATOM 2 CA GLY A 1 14.544 -28.763 10.110 1.00 0.00 C ATOM 3 C GLY A 1 13.060 -28.627 10.388 1.00 0.00 C ATOM 4 O GLY A 1 12.575 -27.535 10.684 1.00 0.00 O ATOM 0 H1 GLY A 1 16.176 -29.870 10.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.044 -29.614 11.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.710 -30.727 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.039 -27.817 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.695 -28.965 9.050 1.00 0.00 H new ATOM 8 N SER A 2 12.338 -29.738 10.292 1.00 0.00 N ATOM 9 CA SER A 2 10.899 -29.738 10.531 1.00 0.00 C ATOM 10 C SER A 2 10.225 -28.590 9.785 1.00 0.00 C ATOM 11 O SER A 2 9.430 -27.845 10.357 1.00 0.00 O ATOM 12 CB SER A 2 10.609 -29.627 12.029 1.00 0.00 C ATOM 13 OG SER A 2 10.914 -30.838 12.698 1.00 0.00 O ATOM 0 H SER A 2 12.725 -30.650 10.050 1.00 0.00 H new ATOM 0 HA SER A 2 10.494 -30.679 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.195 -28.814 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.559 -29.378 12.182 1.00 0.00 H new ATOM 0 HG SER A 2 10.722 -30.741 13.654 1.00 0.00 H new ATOM 19 N SER A 3 10.550 -28.454 8.503 1.00 0.00 N ATOM 20 CA SER A 3 9.981 -27.395 7.678 1.00 0.00 C ATOM 21 C SER A 3 8.456 -27.448 7.703 1.00 0.00 C ATOM 22 O SER A 3 7.852 -28.450 7.323 1.00 0.00 O ATOM 23 CB SER A 3 10.482 -27.516 6.238 1.00 0.00 C ATOM 24 OG SER A 3 11.807 -27.028 6.117 1.00 0.00 O ATOM 0 H SER A 3 11.204 -29.064 8.013 1.00 0.00 H new ATOM 0 HA SER A 3 10.302 -26.437 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.445 -28.559 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.823 -26.958 5.572 1.00 0.00 H new ATOM 0 HG SER A 3 12.105 -27.118 5.188 1.00 0.00 H new ATOM 30 N GLY A 4 7.840 -26.360 8.155 1.00 0.00 N ATOM 31 CA GLY A 4 6.391 -26.302 8.223 1.00 0.00 C ATOM 32 C GLY A 4 5.880 -24.905 8.516 1.00 0.00 C ATOM 33 O GLY A 4 6.645 -23.941 8.500 1.00 0.00 O ATOM 0 H GLY A 4 8.318 -25.518 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.972 -26.648 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.039 -26.984 8.997 1.00 0.00 H new ATOM 37 N SER A 5 4.583 -24.795 8.784 1.00 0.00 N ATOM 38 CA SER A 5 3.969 -23.505 9.076 1.00 0.00 C ATOM 39 C SER A 5 4.454 -22.439 8.099 1.00 0.00 C ATOM 40 O SER A 5 4.555 -21.263 8.446 1.00 0.00 O ATOM 41 CB SER A 5 4.286 -23.080 10.511 1.00 0.00 C ATOM 42 OG SER A 5 3.582 -23.877 11.447 1.00 0.00 O ATOM 0 H SER A 5 3.937 -25.584 8.805 1.00 0.00 H new ATOM 0 HA SER A 5 2.890 -23.610 8.965 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.358 -23.165 10.690 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.022 -22.032 10.650 1.00 0.00 H new ATOM 0 HG SER A 5 3.803 -23.586 12.356 1.00 0.00 H new ATOM 48 N SER A 6 4.752 -22.860 6.873 1.00 0.00 N ATOM 49 CA SER A 6 5.230 -21.943 5.845 1.00 0.00 C ATOM 50 C SER A 6 4.162 -20.909 5.501 1.00 0.00 C ATOM 51 O SER A 6 3.004 -21.251 5.267 1.00 0.00 O ATOM 52 CB SER A 6 5.631 -22.717 4.588 1.00 0.00 C ATOM 53 OG SER A 6 6.427 -21.918 3.730 1.00 0.00 O ATOM 0 H SER A 6 4.671 -23.830 6.568 1.00 0.00 H new ATOM 0 HA SER A 6 6.104 -21.421 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.182 -23.614 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.737 -23.045 4.058 1.00 0.00 H new ATOM 0 HG SER A 6 6.672 -22.436 2.935 1.00 0.00 H new ATOM 59 N GLY A 7 4.562 -19.641 5.470 1.00 0.00 N ATOM 60 CA GLY A 7 3.629 -18.576 5.154 1.00 0.00 C ATOM 61 C GLY A 7 2.795 -18.161 6.350 1.00 0.00 C ATOM 62 O GLY A 7 2.807 -16.996 6.750 1.00 0.00 O ATOM 0 H GLY A 7 5.516 -19.333 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.181 -17.712 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.969 -18.902 4.350 1.00 0.00 H new ATOM 66 N LEU A 8 2.069 -19.114 6.922 1.00 0.00 N ATOM 67 CA LEU A 8 1.223 -18.842 8.079 1.00 0.00 C ATOM 68 C LEU A 8 2.024 -18.177 9.194 1.00 0.00 C ATOM 69 O LEU A 8 1.604 -17.167 9.759 1.00 0.00 O ATOM 70 CB LEU A 8 0.592 -20.137 8.591 1.00 0.00 C ATOM 71 CG LEU A 8 -0.753 -20.519 7.972 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.856 -19.608 8.490 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.678 -20.459 6.454 1.00 0.00 C ATOM 0 H LEU A 8 2.049 -20.083 6.604 1.00 0.00 H new ATOM 0 HA LEU A 8 0.432 -18.159 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.294 -20.953 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.462 -20.052 9.670 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.988 -21.543 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.806 -19.894 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.926 -19.701 9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.627 -18.575 8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.644 -20.734 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.420 -19.447 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.084 -21.153 6.100 1.00 0.00 H new ATOM 85 N LYS A 9 3.182 -18.750 9.506 1.00 0.00 N ATOM 86 CA LYS A 9 4.045 -18.213 10.551 1.00 0.00 C ATOM 87 C LYS A 9 4.499 -16.797 10.208 1.00 0.00 C ATOM 88 O LYS A 9 4.502 -15.912 11.063 1.00 0.00 O ATOM 89 CB LYS A 9 5.265 -19.116 10.748 1.00 0.00 C ATOM 90 CG LYS A 9 6.195 -18.650 11.855 1.00 0.00 C ATOM 91 CD LYS A 9 6.923 -19.817 12.500 1.00 0.00 C ATOM 92 CE LYS A 9 7.872 -19.347 13.592 1.00 0.00 C ATOM 93 NZ LYS A 9 9.213 -18.995 13.047 1.00 0.00 N ATOM 0 H LYS A 9 3.544 -19.587 9.049 1.00 0.00 H new ATOM 0 HA LYS A 9 3.472 -18.178 11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.926 -20.127 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.823 -19.167 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.922 -17.946 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.622 -18.115 12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.197 -20.512 12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.483 -20.363 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.445 -18.479 14.095 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.979 -20.130 14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.831 -18.679 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.631 -19.829 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.114 -18.230 12.350 1.00 0.00 H new ATOM 107 N MET A 10 4.879 -16.591 8.951 1.00 0.00 N ATOM 108 CA MET A 10 5.332 -15.282 8.495 1.00 0.00 C ATOM 109 C MET A 10 4.240 -14.233 8.683 1.00 0.00 C ATOM 110 O MET A 10 4.508 -13.114 9.123 1.00 0.00 O ATOM 111 CB MET A 10 5.746 -15.345 7.024 1.00 0.00 C ATOM 112 CG MET A 10 7.029 -16.125 6.787 1.00 0.00 C ATOM 113 SD MET A 10 8.480 -15.298 7.467 1.00 0.00 S ATOM 114 CE MET A 10 9.035 -14.363 6.043 1.00 0.00 C ATOM 0 H MET A 10 4.882 -17.313 8.231 1.00 0.00 H new ATOM 0 HA MET A 10 6.195 -14.995 9.096 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.941 -15.801 6.448 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.872 -14.330 6.647 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.936 -17.114 7.235 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.168 -16.272 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.938 -14.820 5.637 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.255 -14.362 5.282 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.251 -13.337 6.343 1.00 0.00 H new ATOM 124 N LEU A 11 3.008 -14.602 8.348 1.00 0.00 N ATOM 125 CA LEU A 11 1.875 -13.692 8.479 1.00 0.00 C ATOM 126 C LEU A 11 2.002 -12.844 9.741 1.00 0.00 C ATOM 127 O LEU A 11 1.829 -11.625 9.701 1.00 0.00 O ATOM 128 CB LEU A 11 0.565 -14.481 8.511 1.00 0.00 C ATOM 129 CG LEU A 11 -0.712 -13.670 8.284 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.878 -12.621 9.372 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.692 -13.017 6.910 1.00 0.00 C ATOM 0 H LEU A 11 2.768 -15.524 7.984 1.00 0.00 H new ATOM 0 HA LEU A 11 1.871 -13.027 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.616 -15.262 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.488 -14.980 9.477 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.564 -14.349 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.792 -12.054 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.938 -13.111 10.344 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.023 -11.945 9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.608 -12.444 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.168 -12.351 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.621 -13.787 6.142 1.00 0.00 H new ATOM 143 N ARG A 12 2.306 -13.495 10.858 1.00 0.00 N ATOM 144 CA ARG A 12 2.457 -12.801 12.131 1.00 0.00 C ATOM 145 C ARG A 12 3.546 -11.735 12.043 1.00 0.00 C ATOM 146 O ARG A 12 3.387 -10.626 12.553 1.00 0.00 O ATOM 147 CB ARG A 12 2.791 -13.796 13.243 1.00 0.00 C ATOM 148 CG ARG A 12 1.565 -14.376 13.930 1.00 0.00 C ATOM 149 CD ARG A 12 1.932 -15.066 15.234 1.00 0.00 C ATOM 150 NE ARG A 12 0.880 -15.972 15.689 1.00 0.00 N ATOM 151 CZ ARG A 12 0.717 -17.204 15.219 1.00 0.00 C ATOM 152 NH1 ARG A 12 1.534 -17.674 14.286 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.264 -17.968 15.682 1.00 0.00 N ATOM 0 H ARG A 12 2.453 -14.503 10.908 1.00 0.00 H new ATOM 0 HA ARG A 12 1.511 -12.312 12.364 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.382 -14.611 12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.414 -13.300 13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.847 -13.580 14.128 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.077 -15.088 13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.859 -15.624 15.100 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.120 -14.315 16.001 1.00 0.00 H new ATOM 0 HE ARG A 12 0.235 -15.641 16.407 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.289 -17.089 13.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.407 -18.620 13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.894 -17.610 16.400 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.388 -18.914 15.320 1.00 0.00 H new ATOM 167 N ASP A 13 4.652 -12.080 11.393 1.00 0.00 N ATOM 168 CA ASP A 13 5.768 -11.154 11.238 1.00 0.00 C ATOM 169 C ASP A 13 5.273 -9.770 10.829 1.00 0.00 C ATOM 170 O ASP A 13 5.609 -8.769 11.460 1.00 0.00 O ATOM 171 CB ASP A 13 6.756 -11.683 10.197 1.00 0.00 C ATOM 172 CG ASP A 13 8.018 -10.846 10.120 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.935 -9.689 9.659 1.00 0.00 O ATOM 174 OD2 ASP A 13 9.090 -11.349 10.520 1.00 0.00 O ATOM 0 H ASP A 13 4.800 -12.994 10.965 1.00 0.00 H new ATOM 0 HA ASP A 13 6.274 -11.070 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.020 -12.712 10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.275 -11.701 9.219 1.00 0.00 H new ATOM 179 N MET A 14 4.472 -9.723 9.770 1.00 0.00 N ATOM 180 CA MET A 14 3.930 -8.462 9.278 1.00 0.00 C ATOM 181 C MET A 14 3.146 -7.743 10.371 1.00 0.00 C ATOM 182 O MET A 14 3.534 -6.664 10.821 1.00 0.00 O ATOM 183 CB MET A 14 3.029 -8.707 8.065 1.00 0.00 C ATOM 184 CG MET A 14 3.776 -9.234 6.850 1.00 0.00 C ATOM 185 SD MET A 14 3.857 -11.034 6.811 1.00 0.00 S ATOM 186 CE MET A 14 2.660 -11.399 5.530 1.00 0.00 C ATOM 0 H MET A 14 4.184 -10.543 9.236 1.00 0.00 H new ATOM 0 HA MET A 14 4.766 -7.829 8.979 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.250 -9.418 8.339 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.530 -7.775 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.286 -8.877 5.944 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.788 -8.829 6.846 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.113 -12.305 5.791 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.962 -10.567 5.437 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.176 -11.547 4.581 1.00 0.00 H new ATOM 196 N THR A 15 2.040 -8.347 10.795 1.00 0.00 N ATOM 197 CA THR A 15 1.201 -7.764 11.834 1.00 0.00 C ATOM 198 C THR A 15 2.043 -7.243 12.993 1.00 0.00 C ATOM 199 O THR A 15 1.671 -6.278 13.659 1.00 0.00 O ATOM 200 CB THR A 15 0.183 -8.787 12.374 1.00 0.00 C ATOM 201 OG1 THR A 15 0.861 -9.809 13.112 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.607 -9.415 11.236 1.00 0.00 C ATOM 0 H THR A 15 1.705 -9.240 10.434 1.00 0.00 H new ATOM 0 HA THR A 15 0.663 -6.933 11.377 1.00 0.00 H new ATOM 0 HB THR A 15 -0.511 -8.264 13.032 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.732 -9.987 12.699 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.319 -10.134 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.145 -8.637 10.694 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.076 -9.925 10.557 1.00 0.00 H new ATOM 210 N GLY A 16 3.182 -7.887 13.227 1.00 0.00 N ATOM 211 CA GLY A 16 4.060 -7.473 14.306 1.00 0.00 C ATOM 212 C GLY A 16 4.527 -6.039 14.156 1.00 0.00 C ATOM 213 O GLY A 16 4.442 -5.249 15.097 1.00 0.00 O ATOM 0 H GLY A 16 3.513 -8.688 12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.539 -7.585 15.257 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.927 -8.133 14.338 1.00 0.00 H new ATOM 217 N LEU A 17 5.023 -5.701 12.971 1.00 0.00 N ATOM 218 CA LEU A 17 5.506 -4.351 12.701 1.00 0.00 C ATOM 219 C LEU A 17 4.585 -3.308 13.325 1.00 0.00 C ATOM 220 O LEU A 17 3.379 -3.512 13.464 1.00 0.00 O ATOM 221 CB LEU A 17 5.612 -4.118 11.193 1.00 0.00 C ATOM 222 CG LEU A 17 6.487 -5.106 10.421 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.109 -5.116 8.948 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.959 -4.763 10.594 1.00 0.00 C ATOM 0 H LEU A 17 5.101 -6.343 12.182 1.00 0.00 H new ATOM 0 HA LEU A 17 6.495 -4.249 13.148 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.608 -4.145 10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.000 -3.113 11.027 1.00 0.00 H new ATOM 0 HG LEU A 17 6.318 -6.104 10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.742 -5.825 8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.065 -5.411 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.248 -4.119 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.567 -5.477 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.145 -3.757 10.218 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.222 -4.809 11.651 1.00 0.00 H new ATOM 236 N PRO A 18 5.165 -2.160 13.708 1.00 0.00 N ATOM 237 CA PRO A 18 4.414 -1.060 14.321 1.00 0.00 C ATOM 238 C PRO A 18 3.481 -0.372 13.330 1.00 0.00 C ATOM 239 O PRO A 18 2.377 0.040 13.685 1.00 0.00 O ATOM 240 CB PRO A 18 5.510 -0.096 14.782 1.00 0.00 C ATOM 241 CG PRO A 18 6.665 -0.378 13.884 1.00 0.00 C ATOM 242 CD PRO A 18 6.597 -1.848 13.573 1.00 0.00 C ATOM 0 HA PRO A 18 3.767 -1.407 15.126 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.186 0.941 14.697 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.771 -0.264 15.827 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.605 0.217 12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.608 -0.125 14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.962 -2.063 12.569 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.203 -2.433 14.265 1.00 0.00 H new ATOM 250 N HIS A 19 3.932 -0.252 12.085 1.00 0.00 N ATOM 251 CA HIS A 19 3.136 0.385 11.042 1.00 0.00 C ATOM 252 C HIS A 19 1.970 -0.506 10.627 1.00 0.00 C ATOM 253 O HIS A 19 1.194 -0.156 9.739 1.00 0.00 O ATOM 254 CB HIS A 19 4.009 0.701 9.827 1.00 0.00 C ATOM 255 CG HIS A 19 5.056 -0.335 9.556 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.305 -0.313 10.140 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.034 -1.428 8.759 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.006 -1.348 9.712 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.257 -2.041 8.873 1.00 0.00 N ATOM 0 H HIS A 19 4.844 -0.587 11.774 1.00 0.00 H new ATOM 0 HA HIS A 19 2.734 1.315 11.444 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.372 0.800 8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.494 1.665 9.980 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.636 0.392 10.799 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.208 -1.757 8.147 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.019 -1.587 9.999 1.00 0.00 H new ATOM 267 N ASN A 20 1.853 -1.660 11.276 1.00 0.00 N ATOM 268 CA ASN A 20 0.782 -2.603 10.974 1.00 0.00 C ATOM 269 C ASN A 20 -0.169 -2.744 12.158 1.00 0.00 C ATOM 270 O ASN A 20 -1.371 -2.941 11.981 1.00 0.00 O ATOM 271 CB ASN A 20 1.365 -3.969 10.608 1.00 0.00 C ATOM 272 CG ASN A 20 1.700 -4.079 9.133 1.00 0.00 C ATOM 273 OD1 ASN A 20 1.153 -3.351 8.305 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.603 -4.993 8.798 1.00 0.00 N ATOM 0 H ASN A 20 2.487 -1.965 12.015 1.00 0.00 H new ATOM 0 HA ASN A 20 0.220 -2.216 10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.265 -4.146 11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.652 -4.749 10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.869 -5.113 7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.031 -5.575 9.518 1.00 0.00 H new ATOM 281 N ARG A 21 0.377 -2.640 13.365 1.00 0.00 N ATOM 282 CA ARG A 21 -0.422 -2.756 14.578 1.00 0.00 C ATOM 283 C ARG A 21 -1.791 -2.108 14.392 1.00 0.00 C ATOM 284 O ARG A 21 -2.780 -2.537 14.988 1.00 0.00 O ATOM 285 CB ARG A 21 0.305 -2.107 15.758 1.00 0.00 C ATOM 286 CG ARG A 21 1.638 -2.758 16.084 1.00 0.00 C ATOM 287 CD ARG A 21 1.457 -4.189 16.565 1.00 0.00 C ATOM 288 NE ARG A 21 0.404 -4.299 17.572 1.00 0.00 N ATOM 289 CZ ARG A 21 -0.231 -5.432 17.851 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.079 -6.546 17.202 1.00 0.00 N ATOM 291 NH2 ARG A 21 -1.178 -5.452 18.780 1.00 0.00 N ATOM 0 H ARG A 21 1.370 -2.475 13.529 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.566 -3.816 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.470 -1.052 15.537 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.336 -2.152 16.638 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.275 -2.748 15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.150 -2.177 16.851 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.215 -4.829 15.716 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.396 -4.553 16.981 1.00 0.00 H new ATOM 0 HE ARG A 21 0.142 -3.460 18.089 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.806 -6.534 16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.410 -7.415 17.418 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.419 -4.597 19.281 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.665 -6.323 18.993 1.00 0.00 H new ATOM 305 N LYS A 22 -1.841 -1.073 13.560 1.00 0.00 N ATOM 306 CA LYS A 22 -3.088 -0.365 13.293 1.00 0.00 C ATOM 307 C LYS A 22 -3.417 -0.386 11.804 1.00 0.00 C ATOM 308 O LYS A 22 -2.660 -0.927 10.998 1.00 0.00 O ATOM 309 CB LYS A 22 -2.993 1.081 13.786 1.00 0.00 C ATOM 310 CG LYS A 22 -2.847 1.201 15.293 1.00 0.00 C ATOM 311 CD LYS A 22 -2.798 2.655 15.734 1.00 0.00 C ATOM 312 CE LYS A 22 -2.122 2.804 17.088 1.00 0.00 C ATOM 313 NZ LYS A 22 -2.053 4.228 17.520 1.00 0.00 N ATOM 0 H LYS A 22 -1.032 -0.706 13.059 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.888 -0.873 13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.141 1.564 13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.885 1.623 13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.682 0.699 15.782 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.938 0.692 15.613 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.260 3.244 14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.811 3.055 15.786 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.668 2.225 17.832 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.115 2.390 17.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.586 4.287 18.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.510 4.776 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.015 4.616 17.592 1.00 0.00 H new ATOM 327 N CYS A 23 -4.550 0.208 11.445 1.00 0.00 N ATOM 328 CA CYS A 23 -4.979 0.260 10.053 1.00 0.00 C ATOM 329 C CYS A 23 -4.105 1.219 9.249 1.00 0.00 C ATOM 330 O CYS A 23 -3.241 1.899 9.802 1.00 0.00 O ATOM 331 CB CYS A 23 -6.444 0.692 9.964 1.00 0.00 C ATOM 332 SG CYS A 23 -7.335 0.010 8.529 1.00 0.00 S ATOM 0 H CYS A 23 -5.188 0.660 12.100 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.875 -0.739 9.630 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.958 0.387 10.876 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.489 1.780 9.922 1.00 0.00 H new ATOM 337 N PHE A 24 -4.338 1.268 7.942 1.00 0.00 N ATOM 338 CA PHE A 24 -3.572 2.142 7.061 1.00 0.00 C ATOM 339 C PHE A 24 -4.400 3.354 6.644 1.00 0.00 C ATOM 340 O PHE A 24 -3.855 4.390 6.263 1.00 0.00 O ATOM 341 CB PHE A 24 -3.110 1.375 5.821 1.00 0.00 C ATOM 342 CG PHE A 24 -2.355 2.223 4.838 1.00 0.00 C ATOM 343 CD1 PHE A 24 -2.995 3.233 4.138 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.004 2.010 4.614 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.303 4.015 3.233 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.306 2.790 3.711 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.957 3.793 3.019 1.00 0.00 C ATOM 0 H PHE A 24 -5.051 0.713 7.469 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.697 2.492 7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.477 0.544 6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.980 0.945 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.048 3.411 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.491 1.226 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.814 4.799 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.747 2.615 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.414 4.402 2.312 1.00 0.00 H new ATOM 357 N ASP A 25 -5.719 3.216 6.720 1.00 0.00 N ATOM 358 CA ASP A 25 -6.623 4.299 6.351 1.00 0.00 C ATOM 359 C ASP A 25 -7.172 4.996 7.593 1.00 0.00 C ATOM 360 O ASP A 25 -6.929 6.183 7.810 1.00 0.00 O ATOM 361 CB ASP A 25 -7.776 3.762 5.502 1.00 0.00 C ATOM 362 CG ASP A 25 -7.355 2.602 4.621 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.154 2.514 4.289 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.226 1.781 4.265 1.00 0.00 O ATOM 0 H ASP A 25 -6.186 2.365 7.034 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.059 5.027 5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.587 3.442 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.168 4.565 4.878 1.00 0.00 H new ATOM 369 N CYS A 26 -7.913 4.250 8.405 1.00 0.00 N ATOM 370 CA CYS A 26 -8.498 4.794 9.624 1.00 0.00 C ATOM 371 C CYS A 26 -7.586 4.546 10.823 1.00 0.00 C ATOM 372 O CYS A 26 -7.948 4.839 11.962 1.00 0.00 O ATOM 373 CB CYS A 26 -9.873 4.173 9.877 1.00 0.00 C ATOM 374 SG CYS A 26 -9.888 2.352 9.819 1.00 0.00 S ATOM 0 H CYS A 26 -8.123 3.265 8.240 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.612 5.870 9.493 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.233 4.498 10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.575 4.555 9.136 1.00 0.00 H new ATOM 379 N ASP A 27 -6.403 4.004 10.557 1.00 0.00 N ATOM 380 CA ASP A 27 -5.439 3.717 11.612 1.00 0.00 C ATOM 381 C ASP A 27 -6.098 2.956 12.759 1.00 0.00 C ATOM 382 O ASP A 27 -5.649 3.027 13.902 1.00 0.00 O ATOM 383 CB ASP A 27 -4.820 5.014 12.134 1.00 0.00 C ATOM 384 CG ASP A 27 -4.230 5.862 11.023 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.722 5.282 10.041 1.00 0.00 O ATOM 386 OD2 ASP A 27 -4.276 7.105 11.137 1.00 0.00 O ATOM 0 H ASP A 27 -6.089 3.754 9.619 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.652 3.092 11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.581 5.590 12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.041 4.776 12.858 1.00 0.00 H new ATOM 391 N GLN A 28 -7.167 2.231 12.444 1.00 0.00 N ATOM 392 CA GLN A 28 -7.889 1.459 13.448 1.00 0.00 C ATOM 393 C GLN A 28 -6.956 0.485 14.160 1.00 0.00 C ATOM 394 O GLN A 28 -5.993 -0.009 13.573 1.00 0.00 O ATOM 395 CB GLN A 28 -9.046 0.696 12.801 1.00 0.00 C ATOM 396 CG GLN A 28 -9.934 -0.026 13.802 1.00 0.00 C ATOM 397 CD GLN A 28 -11.137 -0.677 13.150 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.479 -0.373 12.007 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.788 -1.579 13.876 1.00 0.00 N ATOM 0 H GLN A 28 -7.552 2.162 11.502 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.290 2.154 14.186 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.654 1.394 12.226 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.642 -0.031 12.096 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.349 -0.787 14.318 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.274 0.682 14.558 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.470 -1.800 14.819 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.606 -2.050 13.490 1.00 0.00 H new ATOM 408 N ARG A 29 -7.248 0.213 15.428 1.00 0.00 N ATOM 409 CA ARG A 29 -6.435 -0.701 16.220 1.00 0.00 C ATOM 410 C ARG A 29 -6.952 -2.132 16.102 1.00 0.00 C ATOM 411 O ARG A 29 -7.906 -2.516 16.777 1.00 0.00 O ATOM 412 CB ARG A 29 -6.428 -0.270 17.688 1.00 0.00 C ATOM 413 CG ARG A 29 -5.600 0.976 17.953 1.00 0.00 C ATOM 414 CD ARG A 29 -5.866 1.538 19.341 1.00 0.00 C ATOM 415 NE ARG A 29 -5.603 0.555 20.389 1.00 0.00 N ATOM 416 CZ ARG A 29 -4.382 0.208 20.781 1.00 0.00 C ATOM 417 NH1 ARG A 29 -3.318 0.762 20.217 1.00 0.00 N ATOM 418 NH2 ARG A 29 -4.223 -0.694 21.741 1.00 0.00 N ATOM 0 H ARG A 29 -8.042 0.613 15.928 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.416 -0.668 15.833 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.454 -0.089 18.010 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.042 -1.088 18.296 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.541 0.738 17.852 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.829 1.733 17.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.241 2.416 19.502 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.903 1.868 19.406 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.400 0.111 20.845 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.435 1.457 19.480 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.382 0.493 20.520 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.039 -1.122 22.179 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.285 -0.960 22.041 1.00 0.00 H new ATOM 432 N GLY A 30 -6.316 -2.916 15.237 1.00 0.00 N ATOM 433 CA GLY A 30 -6.726 -4.295 15.045 1.00 0.00 C ATOM 434 C GLY A 30 -7.159 -4.577 13.620 1.00 0.00 C ATOM 435 O GLY A 30 -8.332 -4.829 13.343 1.00 0.00 O ATOM 0 H GLY A 30 -5.524 -2.621 14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.901 -4.956 15.309 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.548 -4.525 15.724 1.00 0.00 H new ATOM 439 N PRO A 31 -6.197 -4.536 12.686 1.00 0.00 N ATOM 440 CA PRO A 31 -6.462 -4.786 11.266 1.00 0.00 C ATOM 441 C PRO A 31 -6.805 -6.246 10.988 1.00 0.00 C ATOM 442 O PRO A 31 -6.180 -7.156 11.534 1.00 0.00 O ATOM 443 CB PRO A 31 -5.143 -4.409 10.587 1.00 0.00 C ATOM 444 CG PRO A 31 -4.108 -4.591 11.644 1.00 0.00 C ATOM 445 CD PRO A 31 -4.778 -4.242 12.944 1.00 0.00 C ATOM 0 HA PRO A 31 -7.320 -4.219 10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.945 -5.046 9.725 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.163 -3.381 10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.740 -5.617 11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.248 -3.947 11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.388 -4.837 13.770 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.626 -3.195 13.206 1.00 0.00 H new ATOM 453 N THR A 32 -7.802 -6.463 10.136 1.00 0.00 N ATOM 454 CA THR A 32 -8.228 -7.812 9.787 1.00 0.00 C ATOM 455 C THR A 32 -8.330 -7.983 8.275 1.00 0.00 C ATOM 456 O THR A 32 -8.989 -8.901 7.787 1.00 0.00 O ATOM 457 CB THR A 32 -9.589 -8.154 10.423 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.594 -7.256 9.941 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.512 -8.071 11.940 1.00 0.00 C ATOM 0 H THR A 32 -8.329 -5.722 9.675 1.00 0.00 H new ATOM 0 HA THR A 32 -7.471 -8.493 10.177 1.00 0.00 H new ATOM 0 HB THR A 32 -9.851 -9.174 10.143 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.479 -7.655 10.072 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.484 -8.316 12.368 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.766 -8.777 12.306 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.230 -7.060 12.235 1.00 0.00 H new ATOM 467 N TYR A 33 -7.673 -7.093 7.539 1.00 0.00 N ATOM 468 CA TYR A 33 -7.692 -7.145 6.082 1.00 0.00 C ATOM 469 C TYR A 33 -6.367 -6.657 5.503 1.00 0.00 C ATOM 470 O TYR A 33 -5.524 -6.116 6.220 1.00 0.00 O ATOM 471 CB TYR A 33 -8.843 -6.299 5.535 1.00 0.00 C ATOM 472 CG TYR A 33 -10.135 -7.066 5.375 1.00 0.00 C ATOM 473 CD1 TYR A 33 -11.034 -7.179 6.429 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.458 -7.680 4.171 1.00 0.00 C ATOM 475 CE1 TYR A 33 -12.216 -7.880 6.287 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.638 -8.381 4.020 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.514 -8.479 5.081 1.00 0.00 C ATOM 478 OH TYR A 33 -13.690 -9.178 4.935 1.00 0.00 O ATOM 0 H TYR A 33 -7.121 -6.328 7.927 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.839 -8.183 5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.012 -5.455 6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.553 -5.887 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.805 -6.711 7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.774 -7.608 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.903 -7.959 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.874 -8.850 3.076 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.747 -9.537 4.025 1.00 0.00 H new ATOM 488 N VAL A 34 -6.191 -6.851 4.200 1.00 0.00 N ATOM 489 CA VAL A 34 -4.971 -6.429 3.522 1.00 0.00 C ATOM 490 C VAL A 34 -5.260 -5.993 2.090 1.00 0.00 C ATOM 491 O VAL A 34 -5.915 -6.708 1.333 1.00 0.00 O ATOM 492 CB VAL A 34 -3.922 -7.557 3.501 1.00 0.00 C ATOM 493 CG1 VAL A 34 -3.377 -7.806 4.899 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.521 -8.829 2.920 1.00 0.00 C ATOM 0 H VAL A 34 -6.878 -7.298 3.593 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.574 -5.583 4.083 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.093 -7.247 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.638 -8.606 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.909 -6.896 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.193 -8.095 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.767 -9.616 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.368 -9.144 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.858 -8.640 1.901 1.00 0.00 H new ATOM 504 N ASN A 35 -4.767 -4.813 1.726 1.00 0.00 N ATOM 505 CA ASN A 35 -4.972 -4.280 0.384 1.00 0.00 C ATOM 506 C ASN A 35 -3.901 -4.791 -0.574 1.00 0.00 C ATOM 507 O ASN A 35 -2.871 -4.147 -0.769 1.00 0.00 O ATOM 508 CB ASN A 35 -4.960 -2.751 0.413 1.00 0.00 C ATOM 509 CG ASN A 35 -5.668 -2.144 -0.783 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.537 -2.772 -1.388 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.299 -0.917 -1.129 1.00 0.00 N ATOM 0 H ASN A 35 -4.223 -4.208 2.341 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.944 -4.622 0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.438 -2.404 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.929 -2.399 0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.740 -0.457 -1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.574 -0.434 -0.599 1.00 0.00 H new ATOM 518 N MET A 36 -4.152 -5.953 -1.169 1.00 0.00 N ATOM 519 CA MET A 36 -3.209 -6.549 -2.109 1.00 0.00 C ATOM 520 C MET A 36 -2.692 -5.507 -3.096 1.00 0.00 C ATOM 521 O MET A 36 -1.488 -5.399 -3.328 1.00 0.00 O ATOM 522 CB MET A 36 -3.871 -7.702 -2.866 1.00 0.00 C ATOM 523 CG MET A 36 -3.724 -9.047 -2.174 1.00 0.00 C ATOM 524 SD MET A 36 -2.208 -9.906 -2.639 1.00 0.00 S ATOM 525 CE MET A 36 -1.301 -9.851 -1.096 1.00 0.00 C ATOM 0 H MET A 36 -4.999 -6.500 -1.017 1.00 0.00 H new ATOM 0 HA MET A 36 -2.363 -6.935 -1.541 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.931 -7.482 -2.992 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.438 -7.767 -3.864 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.736 -8.899 -1.094 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.582 -9.673 -2.420 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.337 -10.344 -1.223 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.142 -8.813 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.871 -10.362 -0.320 1.00 0.00 H new ATOM 535 N THR A 37 -3.611 -4.740 -3.675 1.00 0.00 N ATOM 536 CA THR A 37 -3.249 -3.708 -4.638 1.00 0.00 C ATOM 537 C THR A 37 -2.143 -2.812 -4.093 1.00 0.00 C ATOM 538 O THR A 37 -1.284 -2.344 -4.841 1.00 0.00 O ATOM 539 CB THR A 37 -4.463 -2.837 -5.012 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.344 -3.569 -5.872 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.019 -1.557 -5.704 1.00 0.00 C ATOM 0 H THR A 37 -4.612 -4.815 -3.493 1.00 0.00 H new ATOM 0 HA THR A 37 -2.891 -4.220 -5.531 1.00 0.00 H new ATOM 0 HB THR A 37 -4.988 -2.571 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.811 -2.947 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.894 -0.959 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.372 -0.988 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.473 -1.806 -6.614 1.00 0.00 H new ATOM 549 N VAL A 38 -2.170 -2.575 -2.786 1.00 0.00 N ATOM 550 CA VAL A 38 -1.168 -1.736 -2.140 1.00 0.00 C ATOM 551 C VAL A 38 -0.409 -2.511 -1.069 1.00 0.00 C ATOM 552 O VAL A 38 0.217 -1.923 -0.188 1.00 0.00 O ATOM 553 CB VAL A 38 -1.809 -0.490 -1.499 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.767 0.598 -1.288 1.00 0.00 C ATOM 555 CG2 VAL A 38 -2.957 0.019 -2.356 1.00 0.00 C ATOM 0 H VAL A 38 -2.875 -2.952 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.472 -1.419 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.210 -0.770 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.238 1.470 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.019 0.227 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.334 0.878 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.398 0.899 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.583 0.283 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.714 -0.760 -2.450 1.00 0.00 H new ATOM 565 N GLY A 39 -0.467 -3.837 -1.152 1.00 0.00 N ATOM 566 CA GLY A 39 0.220 -4.672 -0.185 1.00 0.00 C ATOM 567 C GLY A 39 0.218 -4.069 1.206 1.00 0.00 C ATOM 568 O GLY A 39 1.192 -4.200 1.948 1.00 0.00 O ATOM 0 H GLY A 39 -0.978 -4.347 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.255 -5.652 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.249 -4.827 -0.509 1.00 0.00 H new ATOM 572 N SER A 40 -0.877 -3.405 1.560 1.00 0.00 N ATOM 573 CA SER A 40 -0.999 -2.775 2.870 1.00 0.00 C ATOM 574 C SER A 40 -1.906 -3.593 3.784 1.00 0.00 C ATOM 575 O SER A 40 -2.428 -4.635 3.389 1.00 0.00 O ATOM 576 CB SER A 40 -1.548 -1.354 2.726 1.00 0.00 C ATOM 577 OG SER A 40 -2.892 -1.370 2.276 1.00 0.00 O ATOM 0 H SER A 40 -1.693 -3.289 0.959 1.00 0.00 H new ATOM 0 HA SER A 40 -0.007 -2.730 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.488 -0.839 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.932 -0.792 2.023 1.00 0.00 H new ATOM 0 HG SER A 40 -3.220 -0.450 2.194 1.00 0.00 H new ATOM 583 N PHE A 41 -2.089 -3.112 5.009 1.00 0.00 N ATOM 584 CA PHE A 41 -2.932 -3.798 5.982 1.00 0.00 C ATOM 585 C PHE A 41 -4.120 -2.927 6.382 1.00 0.00 C ATOM 586 O PHE A 41 -3.963 -1.930 7.088 1.00 0.00 O ATOM 587 CB PHE A 41 -2.117 -4.170 7.222 1.00 0.00 C ATOM 588 CG PHE A 41 -1.216 -5.353 7.014 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.226 -5.325 6.045 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.359 -6.495 7.787 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.606 -6.412 5.851 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.530 -7.584 7.598 1.00 0.00 C ATOM 593 CZ PHE A 41 0.453 -7.544 6.628 1.00 0.00 C ATOM 0 H PHE A 41 -1.665 -2.250 5.352 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.311 -4.709 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.514 -3.313 7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.799 -4.383 8.045 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.103 -4.443 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.127 -6.534 8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.375 -6.376 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.650 -8.467 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.100 -8.395 6.478 1.00 0.00 H new ATOM 603 N VAL A 42 -5.308 -3.311 5.926 1.00 0.00 N ATOM 604 CA VAL A 42 -6.523 -2.567 6.237 1.00 0.00 C ATOM 605 C VAL A 42 -7.449 -3.378 7.135 1.00 0.00 C ATOM 606 O VAL A 42 -7.115 -4.489 7.550 1.00 0.00 O ATOM 607 CB VAL A 42 -7.283 -2.174 4.956 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.403 -1.322 4.054 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.768 -3.416 4.223 1.00 0.00 C ATOM 0 H VAL A 42 -5.455 -4.133 5.340 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.215 -1.662 6.761 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.154 -1.582 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.956 -1.054 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.109 -0.415 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.512 -1.885 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.303 -3.120 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.913 -4.035 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.436 -3.983 4.871 1.00 0.00 H new ATOM 619 N CYS A 43 -8.616 -2.817 7.434 1.00 0.00 N ATOM 620 CA CYS A 43 -9.593 -3.487 8.284 1.00 0.00 C ATOM 621 C CYS A 43 -10.848 -3.845 7.493 1.00 0.00 C ATOM 622 O CYS A 43 -10.972 -3.504 6.316 1.00 0.00 O ATOM 623 CB CYS A 43 -9.962 -2.596 9.472 1.00 0.00 C ATOM 624 SG CYS A 43 -10.906 -1.106 9.018 1.00 0.00 S ATOM 0 H CYS A 43 -8.908 -1.899 7.100 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.144 -4.408 8.655 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.546 -3.180 10.183 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.048 -2.293 9.983 1.00 0.00 H new ATOM 629 N THR A 44 -11.777 -4.534 8.147 1.00 0.00 N ATOM 630 CA THR A 44 -13.021 -4.939 7.506 1.00 0.00 C ATOM 631 C THR A 44 -13.831 -3.727 7.063 1.00 0.00 C ATOM 632 O THR A 44 -14.547 -3.779 6.063 1.00 0.00 O ATOM 633 CB THR A 44 -13.883 -5.802 8.448 1.00 0.00 C ATOM 634 OG1 THR A 44 -13.054 -6.725 9.163 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.942 -6.564 7.666 1.00 0.00 C ATOM 0 H THR A 44 -11.691 -4.823 9.121 1.00 0.00 H new ATOM 0 HA THR A 44 -12.748 -5.530 6.631 1.00 0.00 H new ATOM 0 HB THR A 44 -14.383 -5.140 9.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.267 -6.944 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.538 -7.166 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.590 -5.857 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.458 -7.215 6.938 1.00 0.00 H new ATOM 643 N SER A 45 -13.713 -2.635 7.812 1.00 0.00 N ATOM 644 CA SER A 45 -14.437 -1.409 7.497 1.00 0.00 C ATOM 645 C SER A 45 -13.908 -0.780 6.212 1.00 0.00 C ATOM 646 O SER A 45 -14.674 -0.270 5.395 1.00 0.00 O ATOM 647 CB SER A 45 -14.322 -0.413 8.652 1.00 0.00 C ATOM 648 OG SER A 45 -14.754 -0.992 9.871 1.00 0.00 O ATOM 0 H SER A 45 -13.123 -2.574 8.642 1.00 0.00 H new ATOM 0 HA SER A 45 -15.487 -1.664 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.288 -0.082 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.920 0.472 8.434 1.00 0.00 H new ATOM 0 HG SER A 45 -14.669 -0.335 10.593 1.00 0.00 H new ATOM 654 N CYS A 46 -12.591 -0.820 6.041 1.00 0.00 N ATOM 655 CA CYS A 46 -11.956 -0.255 4.857 1.00 0.00 C ATOM 656 C CYS A 46 -12.148 -1.166 3.648 1.00 0.00 C ATOM 657 O CYS A 46 -12.320 -0.695 2.524 1.00 0.00 O ATOM 658 CB CYS A 46 -10.463 -0.033 5.109 1.00 0.00 C ATOM 659 SG CYS A 46 -10.100 1.286 6.312 1.00 0.00 S ATOM 0 H CYS A 46 -11.943 -1.238 6.708 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.429 0.704 4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.023 -0.965 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.978 0.209 4.163 1.00 0.00 H new ATOM 664 N SER A 47 -12.119 -2.473 3.889 1.00 0.00 N ATOM 665 CA SER A 47 -12.287 -3.451 2.820 1.00 0.00 C ATOM 666 C SER A 47 -13.432 -3.053 1.894 1.00 0.00 C ATOM 667 O SER A 47 -13.371 -3.268 0.685 1.00 0.00 O ATOM 668 CB SER A 47 -12.549 -4.839 3.407 1.00 0.00 C ATOM 669 OG SER A 47 -13.891 -4.962 3.845 1.00 0.00 O ATOM 0 H SER A 47 -11.981 -2.879 4.814 1.00 0.00 H new ATOM 0 HA SER A 47 -11.366 -3.478 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.337 -5.601 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.872 -5.018 4.243 1.00 0.00 H new ATOM 0 HG SER A 47 -13.952 -4.705 4.789 1.00 0.00 H new ATOM 675 N GLY A 48 -14.477 -2.470 2.473 1.00 0.00 N ATOM 676 CA GLY A 48 -15.623 -2.051 1.687 1.00 0.00 C ATOM 677 C GLY A 48 -15.383 -0.738 0.968 1.00 0.00 C ATOM 678 O GLY A 48 -15.865 -0.535 -0.146 1.00 0.00 O ATOM 0 H GLY A 48 -14.551 -2.280 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.861 -2.824 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.491 -1.951 2.339 1.00 0.00 H new ATOM 682 N SER A 49 -14.637 0.158 1.608 1.00 0.00 N ATOM 683 CA SER A 49 -14.339 1.461 1.025 1.00 0.00 C ATOM 684 C SER A 49 -13.407 1.319 -0.175 1.00 0.00 C ATOM 685 O SER A 49 -13.727 1.759 -1.280 1.00 0.00 O ATOM 686 CB SER A 49 -13.705 2.378 2.072 1.00 0.00 C ATOM 687 OG SER A 49 -13.078 3.492 1.461 1.00 0.00 O ATOM 0 H SER A 49 -14.228 0.005 2.530 1.00 0.00 H new ATOM 0 HA SER A 49 -15.276 1.903 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.469 2.723 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.973 1.819 2.654 1.00 0.00 H new ATOM 0 HG SER A 49 -12.682 4.064 2.151 1.00 0.00 H new ATOM 693 N LEU A 50 -12.253 0.701 0.051 1.00 0.00 N ATOM 694 CA LEU A 50 -11.272 0.500 -1.010 1.00 0.00 C ATOM 695 C LEU A 50 -11.935 -0.057 -2.266 1.00 0.00 C ATOM 696 O LEU A 50 -11.732 0.455 -3.367 1.00 0.00 O ATOM 697 CB LEU A 50 -10.169 -0.448 -0.539 1.00 0.00 C ATOM 698 CG LEU A 50 -9.230 0.096 0.538 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.561 -1.044 1.289 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.187 1.016 -0.079 1.00 0.00 C ATOM 0 H LEU A 50 -11.974 0.330 0.959 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.832 1.467 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.636 -1.357 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.570 -0.734 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.820 0.674 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.897 -0.637 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.322 -1.663 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.984 -1.650 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.527 1.394 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.601 0.462 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.684 1.853 -0.570 1.00 0.00 H new ATOM 712 N ARG A 51 -12.731 -1.107 -2.093 1.00 0.00 N ATOM 713 CA ARG A 51 -13.425 -1.733 -3.212 1.00 0.00 C ATOM 714 C ARG A 51 -14.326 -0.727 -3.923 1.00 0.00 C ATOM 715 O ARG A 51 -14.464 -0.759 -5.145 1.00 0.00 O ATOM 716 CB ARG A 51 -14.256 -2.921 -2.724 1.00 0.00 C ATOM 717 CG ARG A 51 -13.423 -4.143 -2.373 1.00 0.00 C ATOM 718 CD ARG A 51 -14.292 -5.379 -2.198 1.00 0.00 C ATOM 719 NE ARG A 51 -13.498 -6.573 -1.923 1.00 0.00 N ATOM 720 CZ ARG A 51 -12.773 -7.201 -2.842 1.00 0.00 C ATOM 721 NH1 ARG A 51 -12.744 -6.751 -4.089 1.00 0.00 N ATOM 722 NH2 ARG A 51 -12.077 -8.282 -2.515 1.00 0.00 N ATOM 0 H ARG A 51 -12.911 -1.542 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.676 -2.088 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.828 -2.618 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.976 -3.192 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.689 -4.322 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.868 -3.954 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.995 -5.215 -1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.883 -5.537 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.500 -6.945 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.279 -5.921 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.187 -7.235 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.098 -8.632 -1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.521 -8.763 -3.222 1.00 0.00 H new ATOM 736 N GLY A 52 -14.937 0.164 -3.149 1.00 0.00 N ATOM 737 CA GLY A 52 -15.816 1.166 -3.723 1.00 0.00 C ATOM 738 C GLY A 52 -15.120 2.022 -4.762 1.00 0.00 C ATOM 739 O GLY A 52 -15.758 2.534 -5.684 1.00 0.00 O ATOM 0 H GLY A 52 -14.839 0.210 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.675 0.673 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.200 1.805 -2.928 1.00 0.00 H new ATOM 743 N LEU A 53 -13.810 2.180 -4.615 1.00 0.00 N ATOM 744 CA LEU A 53 -13.026 2.982 -5.548 1.00 0.00 C ATOM 745 C LEU A 53 -13.051 2.371 -6.945 1.00 0.00 C ATOM 746 O LEU A 53 -13.540 1.259 -7.139 1.00 0.00 O ATOM 747 CB LEU A 53 -11.582 3.104 -5.058 1.00 0.00 C ATOM 748 CG LEU A 53 -11.398 3.652 -3.642 1.00 0.00 C ATOM 749 CD1 LEU A 53 -9.962 3.460 -3.178 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.787 5.122 -3.584 1.00 0.00 C ATOM 0 H LEU A 53 -13.267 1.763 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.471 3.976 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.118 2.119 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.038 3.748 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.053 3.097 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.850 3.856 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.718 2.398 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.288 3.989 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.650 5.495 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.158 5.692 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.832 5.234 -3.873 1.00 0.00 H new ATOM 762 N ASN A 54 -12.517 3.105 -7.916 1.00 0.00 N ATOM 763 CA ASN A 54 -12.476 2.635 -9.296 1.00 0.00 C ATOM 764 C ASN A 54 -11.130 2.953 -9.940 1.00 0.00 C ATOM 765 O ASN A 54 -10.715 4.109 -10.029 1.00 0.00 O ATOM 766 CB ASN A 54 -13.606 3.272 -10.108 1.00 0.00 C ATOM 767 CG ASN A 54 -14.081 2.379 -11.238 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.941 1.158 -11.179 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.647 2.988 -12.274 1.00 0.00 N ATOM 0 H ASN A 54 -12.107 4.028 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.608 1.553 -9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.444 3.494 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.264 4.222 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.987 2.440 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.742 4.004 -12.279 1.00 0.00 H new ATOM 776 N PRO A 55 -10.433 1.905 -10.401 1.00 0.00 N ATOM 777 CA PRO A 55 -10.917 0.525 -10.301 1.00 0.00 C ATOM 778 C PRO A 55 -10.921 0.015 -8.864 1.00 0.00 C ATOM 779 O PRO A 55 -10.207 0.522 -7.998 1.00 0.00 O ATOM 780 CB PRO A 55 -9.915 -0.265 -11.146 1.00 0.00 C ATOM 781 CG PRO A 55 -8.670 0.551 -11.119 1.00 0.00 C ATOM 782 CD PRO A 55 -9.116 1.986 -11.056 1.00 0.00 C ATOM 0 HA PRO A 55 -11.949 0.430 -10.639 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.746 -1.259 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.277 -0.401 -12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.055 0.295 -10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.065 0.369 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.419 2.599 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.188 2.429 -12.050 1.00 0.00 H new ATOM 790 N PRO A 56 -11.743 -1.012 -8.601 1.00 0.00 N ATOM 791 CA PRO A 56 -11.858 -1.613 -7.270 1.00 0.00 C ATOM 792 C PRO A 56 -10.605 -2.387 -6.872 1.00 0.00 C ATOM 793 O PRO A 56 -10.226 -3.355 -7.532 1.00 0.00 O ATOM 794 CB PRO A 56 -13.050 -2.563 -7.411 1.00 0.00 C ATOM 795 CG PRO A 56 -13.100 -2.895 -8.863 1.00 0.00 C ATOM 796 CD PRO A 56 -12.622 -1.665 -9.585 1.00 0.00 C ATOM 0 HA PRO A 56 -11.985 -0.859 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.916 -3.459 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.975 -2.090 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.466 -3.752 -9.090 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.113 -3.158 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.084 -1.919 -10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.452 -1.020 -9.873 1.00 0.00 H new ATOM 804 N HIS A 57 -9.967 -1.954 -5.790 1.00 0.00 N ATOM 805 CA HIS A 57 -8.756 -2.607 -5.304 1.00 0.00 C ATOM 806 C HIS A 57 -9.044 -4.049 -4.895 1.00 0.00 C ATOM 807 O HIS A 57 -10.163 -4.537 -5.050 1.00 0.00 O ATOM 808 CB HIS A 57 -8.175 -1.835 -4.120 1.00 0.00 C ATOM 809 CG HIS A 57 -7.625 -0.492 -4.492 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.942 0.314 -3.605 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.658 0.184 -5.664 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.581 1.428 -4.216 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.003 1.374 -5.466 1.00 0.00 N ATOM 0 H HIS A 57 -10.268 -1.154 -5.233 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.027 -2.616 -6.114 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.951 -1.704 -3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.383 -2.429 -3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.115 -0.151 -6.584 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.033 2.245 -3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.865 2.099 -6.170 1.00 0.00 H new ATOM 821 N ARG A 58 -8.026 -4.724 -4.372 1.00 0.00 N ATOM 822 CA ARG A 58 -8.169 -6.110 -3.943 1.00 0.00 C ATOM 823 C ARG A 58 -7.874 -6.251 -2.452 1.00 0.00 C ATOM 824 O ARG A 58 -6.815 -5.841 -1.977 1.00 0.00 O ATOM 825 CB ARG A 58 -7.233 -7.015 -4.746 1.00 0.00 C ATOM 826 CG ARG A 58 -7.557 -7.062 -6.230 1.00 0.00 C ATOM 827 CD ARG A 58 -6.312 -7.320 -7.064 1.00 0.00 C ATOM 828 NE ARG A 58 -6.575 -7.192 -8.495 1.00 0.00 N ATOM 829 CZ ARG A 58 -5.621 -7.168 -9.419 1.00 0.00 C ATOM 830 NH1 ARG A 58 -4.347 -7.263 -9.063 1.00 0.00 N ATOM 831 NH2 ARG A 58 -5.940 -7.050 -10.701 1.00 0.00 N ATOM 0 H ARG A 58 -7.094 -4.334 -4.235 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.200 -6.414 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.208 -6.669 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.281 -8.025 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.291 -7.845 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.011 -6.119 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.530 -6.618 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.935 -8.321 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.545 -7.117 -8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.098 -7.355 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.616 -7.244 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.919 -6.978 -10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.206 -7.032 -11.409 1.00 0.00 H new ATOM 845 N VAL A 59 -8.818 -6.833 -1.719 1.00 0.00 N ATOM 846 CA VAL A 59 -8.660 -7.028 -0.283 1.00 0.00 C ATOM 847 C VAL A 59 -8.953 -8.471 0.111 1.00 0.00 C ATOM 848 O VAL A 59 -9.699 -9.174 -0.572 1.00 0.00 O ATOM 849 CB VAL A 59 -9.585 -6.091 0.516 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.887 -4.770 0.804 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.888 -5.862 -0.235 1.00 0.00 C ATOM 0 H VAL A 59 -9.701 -7.178 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.623 -6.793 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.820 -6.566 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.556 -4.121 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.984 -4.955 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.621 -4.287 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.530 -5.198 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.675 -5.408 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.394 -6.816 -0.385 1.00 0.00 H new ATOM 861 N LYS A 60 -8.363 -8.908 1.218 1.00 0.00 N ATOM 862 CA LYS A 60 -8.562 -10.268 1.706 1.00 0.00 C ATOM 863 C LYS A 60 -8.331 -10.344 3.212 1.00 0.00 C ATOM 864 O LYS A 60 -7.377 -9.767 3.733 1.00 0.00 O ATOM 865 CB LYS A 60 -7.618 -11.233 0.985 1.00 0.00 C ATOM 866 CG LYS A 60 -6.292 -11.434 1.698 1.00 0.00 C ATOM 867 CD LYS A 60 -5.193 -11.837 0.729 1.00 0.00 C ATOM 868 CE LYS A 60 -5.145 -13.345 0.536 1.00 0.00 C ATOM 869 NZ LYS A 60 -6.060 -13.794 -0.550 1.00 0.00 N ATOM 0 H LYS A 60 -7.743 -8.340 1.795 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.593 -10.555 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.112 -12.198 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.427 -10.858 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.009 -10.513 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.402 -12.202 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.358 -11.351 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.231 -11.486 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.125 -13.649 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.418 -13.839 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.889 -14.799 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.047 -13.665 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.884 -13.231 -1.407 1.00 0.00 H new ATOM 883 N SER A 61 -9.210 -11.061 3.905 1.00 0.00 N ATOM 884 CA SER A 61 -9.103 -11.211 5.352 1.00 0.00 C ATOM 885 C SER A 61 -7.735 -11.765 5.741 1.00 0.00 C ATOM 886 O SER A 61 -7.141 -12.553 5.005 1.00 0.00 O ATOM 887 CB SER A 61 -10.206 -12.133 5.873 1.00 0.00 C ATOM 888 OG SER A 61 -11.473 -11.501 5.807 1.00 0.00 O ATOM 0 H SER A 61 -10.004 -11.547 3.488 1.00 0.00 H new ATOM 0 HA SER A 61 -9.219 -10.226 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.223 -13.052 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.991 -12.416 6.903 1.00 0.00 H new ATOM 0 HG SER A 61 -11.362 -10.577 5.501 1.00 0.00 H new ATOM 894 N ILE A 62 -7.243 -11.346 6.902 1.00 0.00 N ATOM 895 CA ILE A 62 -5.947 -11.801 7.390 1.00 0.00 C ATOM 896 C ILE A 62 -6.064 -13.153 8.084 1.00 0.00 C ATOM 897 O ILE A 62 -5.193 -14.011 7.945 1.00 0.00 O ATOM 898 CB ILE A 62 -5.327 -10.786 8.369 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.199 -9.415 7.703 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.969 -11.276 8.850 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.723 -8.329 8.642 1.00 0.00 C ATOM 0 H ILE A 62 -7.722 -10.693 7.522 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.298 -11.898 6.519 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.984 -10.689 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.505 -9.490 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.166 -9.129 7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.543 -10.548 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.087 -12.233 9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.303 -11.398 7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.656 -7.385 8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.429 -8.226 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.741 -8.593 9.035 1.00 0.00 H new ATOM 913 N SER A 63 -7.149 -13.338 8.830 1.00 0.00 N ATOM 914 CA SER A 63 -7.380 -14.586 9.548 1.00 0.00 C ATOM 915 C SER A 63 -8.349 -15.481 8.782 1.00 0.00 C ATOM 916 O SER A 63 -8.083 -16.664 8.569 1.00 0.00 O ATOM 917 CB SER A 63 -7.928 -14.300 10.947 1.00 0.00 C ATOM 918 OG SER A 63 -8.156 -15.503 11.661 1.00 0.00 O ATOM 0 H SER A 63 -7.882 -12.639 8.953 1.00 0.00 H new ATOM 0 HA SER A 63 -6.427 -15.107 9.639 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.224 -13.675 11.496 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.859 -13.738 10.869 1.00 0.00 H new ATOM 0 HG SER A 63 -8.505 -15.293 12.553 1.00 0.00 H new ATOM 924 N MET A 64 -9.475 -14.908 8.370 1.00 0.00 N ATOM 925 CA MET A 64 -10.485 -15.653 7.627 1.00 0.00 C ATOM 926 C MET A 64 -9.885 -16.276 6.370 1.00 0.00 C ATOM 927 O MET A 64 -10.236 -17.393 5.990 1.00 0.00 O ATOM 928 CB MET A 64 -11.651 -14.737 7.250 1.00 0.00 C ATOM 929 CG MET A 64 -12.977 -15.468 7.112 1.00 0.00 C ATOM 930 SD MET A 64 -14.320 -14.378 6.603 1.00 0.00 S ATOM 931 CE MET A 64 -15.743 -15.304 7.176 1.00 0.00 C ATOM 0 H MET A 64 -9.711 -13.930 8.538 1.00 0.00 H new ATOM 0 HA MET A 64 -10.855 -16.454 8.267 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.751 -13.959 8.007 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.421 -14.238 6.309 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.870 -16.272 6.383 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.232 -15.933 8.064 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.654 -14.757 6.934 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.764 -16.278 6.688 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.678 -15.440 8.255 1.00 0.00 H new ATOM 941 N THR A 65 -8.979 -15.545 5.728 1.00 0.00 N ATOM 942 CA THR A 65 -8.332 -16.025 4.513 1.00 0.00 C ATOM 943 C THR A 65 -6.878 -16.400 4.776 1.00 0.00 C ATOM 944 O THR A 65 -6.126 -15.632 5.376 1.00 0.00 O ATOM 945 CB THR A 65 -8.384 -14.968 3.394 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.693 -14.392 3.324 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.022 -15.584 2.051 1.00 0.00 C ATOM 0 H THR A 65 -8.677 -14.619 6.029 1.00 0.00 H new ATOM 0 HA THR A 65 -8.880 -16.911 4.191 1.00 0.00 H new ATOM 0 HB THR A 65 -7.658 -14.189 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.717 -13.720 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.066 -14.819 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.013 -15.995 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.727 -16.381 1.814 1.00 0.00 H new ATOM 955 N THR A 66 -6.487 -17.587 4.322 1.00 0.00 N ATOM 956 CA THR A 66 -5.122 -18.064 4.508 1.00 0.00 C ATOM 957 C THR A 66 -4.193 -17.503 3.438 1.00 0.00 C ATOM 958 O THR A 66 -4.611 -17.251 2.308 1.00 0.00 O ATOM 959 CB THR A 66 -5.056 -19.602 4.475 1.00 0.00 C ATOM 960 OG1 THR A 66 -6.247 -20.157 5.045 1.00 0.00 O ATOM 961 CG2 THR A 66 -3.841 -20.108 5.238 1.00 0.00 C ATOM 0 H THR A 66 -7.096 -18.235 3.823 1.00 0.00 H new ATOM 0 HA THR A 66 -4.795 -17.715 5.487 1.00 0.00 H new ATOM 0 HB THR A 66 -4.970 -19.917 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.197 -21.135 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.816 -21.197 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.934 -19.708 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.902 -19.782 6.276 1.00 0.00 H new ATOM 969 N PHE A 67 -2.929 -17.311 3.801 1.00 0.00 N ATOM 970 CA PHE A 67 -1.939 -16.780 2.871 1.00 0.00 C ATOM 971 C PHE A 67 -0.841 -17.804 2.602 1.00 0.00 C ATOM 972 O PHE A 67 -0.715 -18.800 3.315 1.00 0.00 O ATOM 973 CB PHE A 67 -1.326 -15.493 3.426 1.00 0.00 C ATOM 974 CG PHE A 67 -2.316 -14.372 3.572 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.442 -14.523 4.365 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.120 -13.168 2.915 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.354 -13.494 4.502 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.029 -12.135 3.049 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.148 -12.298 3.842 1.00 0.00 C ATOM 0 H PHE A 67 -2.566 -17.515 4.732 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.443 -16.558 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.880 -15.702 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.519 -15.171 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.609 -15.456 4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.248 -13.035 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.227 -13.625 5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.864 -11.200 2.533 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.860 -11.493 3.946 1.00 0.00 H new ATOM 989 N THR A 68 -0.046 -17.553 1.566 1.00 0.00 N ATOM 990 CA THR A 68 1.040 -18.453 1.200 1.00 0.00 C ATOM 991 C THR A 68 2.356 -17.696 1.057 1.00 0.00 C ATOM 992 O THR A 68 2.370 -16.520 0.696 1.00 0.00 O ATOM 993 CB THR A 68 0.740 -19.190 -0.119 1.00 0.00 C ATOM 994 OG1 THR A 68 1.950 -19.720 -0.671 1.00 0.00 O ATOM 995 CG2 THR A 68 0.084 -18.255 -1.124 1.00 0.00 C ATOM 0 H THR A 68 -0.134 -16.733 0.966 1.00 0.00 H new ATOM 0 HA THR A 68 1.129 -19.184 2.004 1.00 0.00 H new ATOM 0 HB THR A 68 0.052 -20.007 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.750 -20.188 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.118 -18.798 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.852 -17.877 -0.712 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.752 -17.419 -1.333 1.00 0.00 H new ATOM 1003 N GLN A 69 3.460 -18.380 1.343 1.00 0.00 N ATOM 1004 CA GLN A 69 4.781 -17.771 1.246 1.00 0.00 C ATOM 1005 C GLN A 69 4.836 -16.769 0.097 1.00 0.00 C ATOM 1006 O GLN A 69 5.323 -15.651 0.259 1.00 0.00 O ATOM 1007 CB GLN A 69 5.850 -18.848 1.050 1.00 0.00 C ATOM 1008 CG GLN A 69 7.212 -18.460 1.602 1.00 0.00 C ATOM 1009 CD GLN A 69 7.999 -17.581 0.650 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.942 -17.757 -0.567 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.739 -16.626 1.201 1.00 0.00 N ATOM 0 H GLN A 69 3.465 -19.355 1.643 1.00 0.00 H new ATOM 0 HA GLN A 69 4.977 -17.240 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.520 -19.768 1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.946 -19.063 -0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.080 -17.936 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.785 -19.363 1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.757 -16.516 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.290 -16.003 0.610 1.00 0.00 H new ATOM 1020 N GLN A 70 4.334 -17.179 -1.064 1.00 0.00 N ATOM 1021 CA GLN A 70 4.328 -16.318 -2.240 1.00 0.00 C ATOM 1022 C GLN A 70 3.730 -14.954 -1.912 1.00 0.00 C ATOM 1023 O GLN A 70 4.410 -13.932 -1.993 1.00 0.00 O ATOM 1024 CB GLN A 70 3.539 -16.974 -3.375 1.00 0.00 C ATOM 1025 CG GLN A 70 4.088 -18.329 -3.792 1.00 0.00 C ATOM 1026 CD GLN A 70 3.579 -18.771 -5.150 1.00 0.00 C ATOM 1027 OE1 GLN A 70 3.343 -17.948 -6.035 1.00 0.00 O ATOM 1028 NE2 GLN A 70 3.408 -20.077 -5.322 1.00 0.00 N ATOM 0 H GLN A 70 3.926 -18.102 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 70 5.360 -16.175 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.501 -17.092 -3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.540 -16.309 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.177 -18.285 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.813 -19.074 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.616 -20.723 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.068 -20.434 -6.215 1.00 0.00 H new ATOM 1037 N GLU A 71 2.453 -14.946 -1.542 1.00 0.00 N ATOM 1038 CA GLU A 71 1.764 -13.707 -1.203 1.00 0.00 C ATOM 1039 C GLU A 71 2.480 -12.978 -0.070 1.00 0.00 C ATOM 1040 O GLU A 71 2.671 -11.763 -0.122 1.00 0.00 O ATOM 1041 CB GLU A 71 0.315 -13.995 -0.803 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.457 -14.787 -1.844 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.933 -14.901 -1.513 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.258 -15.417 -0.423 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.762 -14.476 -2.344 1.00 0.00 O ATOM 0 H GLU A 71 1.875 -15.783 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 71 1.769 -13.066 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.309 -14.545 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.198 -13.050 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.342 -14.310 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.029 -15.786 -1.927 1.00 0.00 H new ATOM 1052 N ILE A 72 2.874 -13.729 0.953 1.00 0.00 N ATOM 1053 CA ILE A 72 3.569 -13.155 2.099 1.00 0.00 C ATOM 1054 C ILE A 72 4.697 -12.232 1.651 1.00 0.00 C ATOM 1055 O ILE A 72 4.772 -11.078 2.072 1.00 0.00 O ATOM 1056 CB ILE A 72 4.149 -14.251 3.012 1.00 0.00 C ATOM 1057 CG1 ILE A 72 3.022 -15.087 3.622 1.00 0.00 C ATOM 1058 CG2 ILE A 72 5.008 -13.631 4.104 1.00 0.00 C ATOM 1059 CD1 ILE A 72 2.113 -14.298 4.538 1.00 0.00 C ATOM 0 H ILE A 72 2.724 -14.736 1.012 1.00 0.00 H new ATOM 0 HA ILE A 72 2.833 -12.579 2.660 1.00 0.00 H new ATOM 0 HB ILE A 72 4.778 -14.908 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.427 -15.521 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.457 -15.916 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.411 -14.418 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.829 -13.076 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.400 -12.954 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.338 -14.954 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.696 -13.886 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.650 -13.485 3.979 1.00 0.00 H new ATOM 1071 N GLU A 73 5.572 -12.749 0.793 1.00 0.00 N ATOM 1072 CA GLU A 73 6.696 -11.970 0.288 1.00 0.00 C ATOM 1073 C GLU A 73 6.222 -10.635 -0.279 1.00 0.00 C ATOM 1074 O GLU A 73 6.814 -9.589 -0.012 1.00 0.00 O ATOM 1075 CB GLU A 73 7.446 -12.756 -0.790 1.00 0.00 C ATOM 1076 CG GLU A 73 8.509 -13.689 -0.234 1.00 0.00 C ATOM 1077 CD GLU A 73 9.643 -13.930 -1.212 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.083 -12.957 -1.861 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.090 -15.090 -1.329 1.00 0.00 O ATOM 0 H GLU A 73 5.524 -13.703 0.434 1.00 0.00 H new ATOM 0 HA GLU A 73 7.371 -11.773 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.729 -13.339 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.915 -12.054 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.912 -13.267 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.050 -14.643 0.026 1.00 0.00 H new ATOM 1086 N PHE A 74 5.150 -10.679 -1.062 1.00 0.00 N ATOM 1087 CA PHE A 74 4.596 -9.473 -1.668 1.00 0.00 C ATOM 1088 C PHE A 74 4.269 -8.430 -0.604 1.00 0.00 C ATOM 1089 O PHE A 74 4.756 -7.300 -0.655 1.00 0.00 O ATOM 1090 CB PHE A 74 3.337 -9.812 -2.470 1.00 0.00 C ATOM 1091 CG PHE A 74 2.633 -8.604 -3.019 1.00 0.00 C ATOM 1092 CD1 PHE A 74 1.732 -7.897 -2.239 1.00 0.00 C ATOM 1093 CD2 PHE A 74 2.873 -8.175 -4.314 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.082 -6.786 -2.742 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.226 -7.065 -4.823 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.330 -6.368 -4.035 1.00 0.00 C ATOM 0 H PHE A 74 4.647 -11.536 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 74 5.346 -9.057 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.608 -10.471 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.648 -10.366 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.536 -8.218 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.574 -8.714 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.380 -6.245 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.420 -6.743 -5.835 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.825 -5.499 -4.429 1.00 0.00 H new ATOM 1106 N LEU A 75 3.441 -8.817 0.360 1.00 0.00 N ATOM 1107 CA LEU A 75 3.047 -7.916 1.438 1.00 0.00 C ATOM 1108 C LEU A 75 4.272 -7.322 2.125 1.00 0.00 C ATOM 1109 O LEU A 75 4.459 -6.105 2.138 1.00 0.00 O ATOM 1110 CB LEU A 75 2.185 -8.658 2.460 1.00 0.00 C ATOM 1111 CG LEU A 75 0.707 -8.820 2.101 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.032 -9.804 3.044 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -0.001 -7.473 2.136 1.00 0.00 C ATOM 0 H LEU A 75 3.029 -9.748 0.417 1.00 0.00 H new ATOM 0 HA LEU A 75 2.466 -7.102 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.612 -9.649 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.251 -8.131 3.412 1.00 0.00 H new ATOM 0 HG LEU A 75 0.641 -9.217 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.019 -9.906 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.522 -10.775 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.108 -9.438 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.051 -7.607 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.075 -7.048 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.465 -6.798 1.418 1.00 0.00 H new ATOM 1125 N GLN A 76 5.104 -8.188 2.694 1.00 0.00 N ATOM 1126 CA GLN A 76 6.312 -7.748 3.381 1.00 0.00 C ATOM 1127 C GLN A 76 7.127 -6.807 2.501 1.00 0.00 C ATOM 1128 O GLN A 76 7.613 -5.773 2.962 1.00 0.00 O ATOM 1129 CB GLN A 76 7.163 -8.954 3.784 1.00 0.00 C ATOM 1130 CG GLN A 76 6.423 -9.958 4.652 1.00 0.00 C ATOM 1131 CD GLN A 76 7.236 -11.210 4.919 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.772 -11.394 6.012 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.332 -12.078 3.919 1.00 0.00 N ATOM 0 H GLN A 76 4.964 -9.198 2.693 1.00 0.00 H new ATOM 0 HA GLN A 76 6.012 -7.207 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.516 -9.456 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.045 -8.603 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.162 -9.489 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.488 -10.234 4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.871 -11.885 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.867 -12.938 4.040 1.00 0.00 H new ATOM 1142 N LYS A 77 7.275 -7.170 1.232 1.00 0.00 N ATOM 1143 CA LYS A 77 8.030 -6.359 0.285 1.00 0.00 C ATOM 1144 C LYS A 77 7.520 -4.921 0.272 1.00 0.00 C ATOM 1145 O LYS A 77 8.291 -3.980 0.085 1.00 0.00 O ATOM 1146 CB LYS A 77 7.936 -6.957 -1.120 1.00 0.00 C ATOM 1147 CG LYS A 77 9.034 -7.960 -1.429 1.00 0.00 C ATOM 1148 CD LYS A 77 9.126 -8.245 -2.919 1.00 0.00 C ATOM 1149 CE LYS A 77 9.638 -9.652 -3.186 1.00 0.00 C ATOM 1150 NZ LYS A 77 11.125 -9.695 -3.270 1.00 0.00 N ATOM 0 H LYS A 77 6.881 -8.023 0.835 1.00 0.00 H new ATOM 0 HA LYS A 77 9.073 -6.353 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.968 -7.444 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.975 -6.151 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.990 -7.576 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.842 -8.888 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.144 -8.121 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.790 -7.520 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.300 -10.318 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.211 -10.023 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.434 -10.671 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.447 -9.079 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.533 -9.365 -2.372 1.00 0.00 H new ATOM 1164 N HIS A 78 6.216 -4.759 0.475 1.00 0.00 N ATOM 1165 CA HIS A 78 5.603 -3.436 0.489 1.00 0.00 C ATOM 1166 C HIS A 78 5.325 -2.981 1.918 1.00 0.00 C ATOM 1167 O HIS A 78 6.035 -2.136 2.461 1.00 0.00 O ATOM 1168 CB HIS A 78 4.305 -3.443 -0.319 1.00 0.00 C ATOM 1169 CG HIS A 78 4.513 -3.255 -1.790 1.00 0.00 C ATOM 1170 ND1 HIS A 78 4.651 -4.306 -2.671 1.00 0.00 N ATOM 1171 CD2 HIS A 78 4.606 -2.128 -2.534 1.00 0.00 C ATOM 1172 CE1 HIS A 78 4.821 -3.834 -3.893 1.00 0.00 C ATOM 1173 NE2 HIS A 78 4.797 -2.515 -3.837 1.00 0.00 N ATOM 0 H HIS A 78 5.564 -5.528 0.632 1.00 0.00 H new ATOM 0 HA HIS A 78 6.301 -2.734 0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.788 -4.388 -0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.652 -2.652 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.542 -1.113 -2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.957 -4.426 -4.786 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.903 -1.886 -4.633 1.00 0.00 H new ATOM 1181 N GLY A 79 4.284 -3.547 2.522 1.00 0.00 N ATOM 1182 CA GLY A 79 3.930 -3.187 3.883 1.00 0.00 C ATOM 1183 C GLY A 79 3.678 -1.700 4.041 1.00 0.00 C ATOM 1184 O GLY A 79 4.134 -0.897 3.230 1.00 0.00 O ATOM 0 H GLY A 79 3.680 -4.248 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.038 -3.738 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.732 -3.490 4.556 1.00 0.00 H new ATOM 1188 N ASN A 80 2.947 -1.334 5.090 1.00 0.00 N ATOM 1189 CA ASN A 80 2.633 0.066 5.351 1.00 0.00 C ATOM 1190 C ASN A 80 3.898 0.857 5.668 1.00 0.00 C ATOM 1191 O ASN A 80 3.871 2.085 5.743 1.00 0.00 O ATOM 1192 CB ASN A 80 1.642 0.180 6.511 1.00 0.00 C ATOM 1193 CG ASN A 80 0.514 -0.828 6.409 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.525 -1.704 5.544 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.468 -0.709 7.296 1.00 0.00 N ATOM 0 H ASN A 80 2.562 -1.987 5.772 1.00 0.00 H new ATOM 0 HA ASN A 80 2.180 0.485 4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.171 0.035 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.225 1.187 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.254 -1.359 7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.436 0.032 7.996 1.00 0.00 H new ATOM 1202 N GLU A 81 5.005 0.144 5.852 1.00 0.00 N ATOM 1203 CA GLU A 81 6.280 0.781 6.161 1.00 0.00 C ATOM 1204 C GLU A 81 6.637 1.824 5.107 1.00 0.00 C ATOM 1205 O GLU A 81 6.698 3.019 5.395 1.00 0.00 O ATOM 1206 CB GLU A 81 7.390 -0.268 6.253 1.00 0.00 C ATOM 1207 CG GLU A 81 8.770 0.324 6.480 1.00 0.00 C ATOM 1208 CD GLU A 81 9.751 -0.682 7.052 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.297 -1.671 7.663 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.972 -0.479 6.887 1.00 0.00 O ATOM 0 H GLU A 81 5.045 -0.873 5.793 1.00 0.00 H new ATOM 0 HA GLU A 81 6.183 1.282 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.161 -0.956 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.402 -0.854 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.157 0.706 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.690 1.173 7.158 1.00 0.00 H new ATOM 1217 N VAL A 82 6.873 1.362 3.883 1.00 0.00 N ATOM 1218 CA VAL A 82 7.224 2.254 2.784 1.00 0.00 C ATOM 1219 C VAL A 82 5.977 2.761 2.067 1.00 0.00 C ATOM 1220 O VAL A 82 5.887 3.936 1.712 1.00 0.00 O ATOM 1221 CB VAL A 82 8.140 1.554 1.763 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.448 1.134 2.418 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.434 0.355 1.148 1.00 0.00 C ATOM 0 H VAL A 82 6.828 0.376 3.628 1.00 0.00 H new ATOM 0 HA VAL A 82 7.757 3.098 3.221 1.00 0.00 H new ATOM 0 HB VAL A 82 8.371 2.260 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.082 0.641 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.960 2.015 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.240 0.445 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.096 -0.128 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.172 -0.355 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.528 0.687 0.641 1.00 0.00 H new ATOM 1233 N CYS A 83 5.018 1.866 1.859 1.00 0.00 N ATOM 1234 CA CYS A 83 3.774 2.222 1.184 1.00 0.00 C ATOM 1235 C CYS A 83 3.260 3.573 1.669 1.00 0.00 C ATOM 1236 O CYS A 83 3.252 4.552 0.922 1.00 0.00 O ATOM 1237 CB CYS A 83 2.715 1.145 1.420 1.00 0.00 C ATOM 1238 SG CYS A 83 2.730 -0.186 0.196 1.00 0.00 S ATOM 0 H CYS A 83 5.077 0.889 2.147 1.00 0.00 H new ATOM 0 HA CYS A 83 3.977 2.293 0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.864 0.715 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.730 1.613 1.420 1.00 0.00 H new ATOM 0 HG CYS A 83 1.619 -0.857 0.271 1.00 0.00 H new ATOM 1244 N LYS A 84 2.829 3.620 2.925 1.00 0.00 N ATOM 1245 CA LYS A 84 2.311 4.850 3.512 1.00 0.00 C ATOM 1246 C LYS A 84 3.153 6.050 3.091 1.00 0.00 C ATOM 1247 O LYS A 84 2.679 6.930 2.373 1.00 0.00 O ATOM 1248 CB LYS A 84 2.288 4.741 5.038 1.00 0.00 C ATOM 1249 CG LYS A 84 1.373 5.752 5.707 1.00 0.00 C ATOM 1250 CD LYS A 84 0.789 5.207 6.999 1.00 0.00 C ATOM 1251 CE LYS A 84 1.878 4.716 7.940 1.00 0.00 C ATOM 1252 NZ LYS A 84 2.458 5.827 8.745 1.00 0.00 N ATOM 0 H LYS A 84 2.828 2.819 3.557 1.00 0.00 H new ATOM 0 HA LYS A 84 1.294 4.996 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.971 3.736 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.301 4.873 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.930 6.666 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.565 6.019 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.204 5.984 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.105 4.389 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.467 3.960 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.668 4.235 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.196 5.451 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.873 6.537 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.710 6.270 9.316 1.00 0.00 H new ATOM 1266 N GLN A 85 4.404 6.077 3.540 1.00 0.00 N ATOM 1267 CA GLN A 85 5.311 7.169 3.208 1.00 0.00 C ATOM 1268 C GLN A 85 5.222 7.520 1.727 1.00 0.00 C ATOM 1269 O GLN A 85 5.097 8.689 1.363 1.00 0.00 O ATOM 1270 CB GLN A 85 6.749 6.793 3.569 1.00 0.00 C ATOM 1271 CG GLN A 85 7.124 7.129 5.004 1.00 0.00 C ATOM 1272 CD GLN A 85 8.624 7.163 5.222 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.224 8.233 5.325 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.238 5.988 5.295 1.00 0.00 N ATOM 0 H GLN A 85 4.812 5.355 4.134 1.00 0.00 H new ATOM 0 HA GLN A 85 5.014 8.043 3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.888 5.724 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.431 7.309 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.700 8.098 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.680 6.393 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.701 5.126 5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.247 5.948 5.442 1.00 0.00 H new ATOM 1283 N ILE A 86 5.286 6.500 0.877 1.00 0.00 N ATOM 1284 CA ILE A 86 5.212 6.701 -0.564 1.00 0.00 C ATOM 1285 C ILE A 86 3.954 7.474 -0.947 1.00 0.00 C ATOM 1286 O ILE A 86 3.942 8.211 -1.933 1.00 0.00 O ATOM 1287 CB ILE A 86 5.227 5.360 -1.322 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.583 4.671 -1.154 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.918 5.580 -2.795 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.539 3.181 -1.411 1.00 0.00 C ATOM 0 H ILE A 86 5.389 5.526 1.162 1.00 0.00 H new ATOM 0 HA ILE A 86 6.092 7.279 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 86 4.456 4.713 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.301 5.128 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.948 4.846 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.932 4.623 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.932 6.034 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.668 6.241 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.534 2.759 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.846 2.712 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.205 2.998 -2.432 1.00 0.00 H new ATOM 1302 N TRP A 87 2.898 7.301 -0.160 1.00 0.00 N ATOM 1303 CA TRP A 87 1.635 7.983 -0.416 1.00 0.00 C ATOM 1304 C TRP A 87 1.559 9.296 0.356 1.00 0.00 C ATOM 1305 O TRP A 87 0.723 10.152 0.064 1.00 0.00 O ATOM 1306 CB TRP A 87 0.459 7.084 -0.033 1.00 0.00 C ATOM 1307 CG TRP A 87 0.310 5.887 -0.923 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.702 4.608 -0.649 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.268 5.860 -2.233 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.401 3.787 -1.709 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.195 4.531 -2.693 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.842 6.829 -3.060 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.674 4.149 -3.943 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.316 6.448 -4.301 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.231 5.118 -4.733 1.00 0.00 C ATOM 0 H TRP A 87 2.891 6.695 0.660 1.00 0.00 H new ATOM 0 HA TRP A 87 1.581 8.206 -1.482 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.588 6.749 0.996 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.461 7.668 -0.065 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.178 4.289 0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.591 2.786 -1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.914 7.857 -2.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.608 3.124 -4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.760 7.189 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.612 4.852 -5.708 1.00 0.00 H new ATOM 1326 N LEU A 88 2.438 9.449 1.340 1.00 0.00 N ATOM 1327 CA LEU A 88 2.471 10.660 2.155 1.00 0.00 C ATOM 1328 C LEU A 88 3.729 11.473 1.870 1.00 0.00 C ATOM 1329 O LEU A 88 4.177 12.256 2.706 1.00 0.00 O ATOM 1330 CB LEU A 88 2.407 10.300 3.640 1.00 0.00 C ATOM 1331 CG LEU A 88 1.486 9.137 4.011 1.00 0.00 C ATOM 1332 CD1 LEU A 88 0.932 9.322 5.415 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.355 9.010 3.001 1.00 0.00 C ATOM 0 H LEU A 88 3.137 8.751 1.593 1.00 0.00 H new ATOM 0 HA LEU A 88 1.603 11.267 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.415 10.061 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.086 11.182 4.193 1.00 0.00 H new ATOM 0 HG LEU A 88 2.069 8.216 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.279 8.485 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.755 9.363 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.364 10.251 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.291 8.177 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.227 9.932 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.771 8.830 2.010 1.00 0.00 H new ATOM 1345 N GLY A 89 4.293 11.284 0.681 1.00 0.00 N ATOM 1346 CA GLY A 89 5.493 12.009 0.306 1.00 0.00 C ATOM 1347 C GLY A 89 5.338 13.509 0.462 1.00 0.00 C ATOM 1348 O GLY A 89 6.194 14.171 1.050 1.00 0.00 O ATOM 0 H GLY A 89 3.941 10.642 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.327 11.667 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.744 11.779 -0.729 1.00 0.00 H new ATOM 1352 N LEU A 90 4.244 14.046 -0.066 1.00 0.00 N ATOM 1353 CA LEU A 90 3.979 15.478 0.016 1.00 0.00 C ATOM 1354 C LEU A 90 3.262 15.826 1.317 1.00 0.00 C ATOM 1355 O LEU A 90 3.489 16.887 1.898 1.00 0.00 O ATOM 1356 CB LEU A 90 3.138 15.931 -1.179 1.00 0.00 C ATOM 1357 CG LEU A 90 3.906 16.215 -2.471 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.944 16.525 -3.607 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.884 17.364 -2.269 1.00 0.00 C ATOM 0 H LEU A 90 3.526 13.512 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 90 4.936 16.000 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.392 15.163 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.597 16.834 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 90 4.474 15.323 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.509 16.724 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.285 15.672 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.348 17.401 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.421 17.552 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.337 18.261 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.595 17.103 -1.485 1.00 0.00 H new ATOM 1371 N PHE A 91 2.398 14.924 1.769 1.00 0.00 N ATOM 1372 CA PHE A 91 1.649 15.134 3.003 1.00 0.00 C ATOM 1373 C PHE A 91 2.590 15.249 4.198 1.00 0.00 C ATOM 1374 O PHE A 91 2.754 14.300 4.966 1.00 0.00 O ATOM 1375 CB PHE A 91 0.660 13.988 3.225 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.231 14.188 4.418 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.941 15.367 4.580 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -0.357 13.198 5.379 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.761 15.554 5.676 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -1.177 13.379 6.477 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.878 14.559 6.626 1.00 0.00 C ATOM 0 H PHE A 91 2.199 14.041 1.300 1.00 0.00 H new ATOM 0 HA PHE A 91 1.096 16.068 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.042 13.875 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.215 13.058 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.852 16.149 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.192 12.274 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.310 16.477 5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.269 12.598 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.517 14.704 7.485 1.00 0.00 H new ATOM 1391 N ASP A 92 3.206 16.416 4.349 1.00 0.00 N ATOM 1392 CA ASP A 92 4.131 16.656 5.450 1.00 0.00 C ATOM 1393 C ASP A 92 3.536 17.637 6.455 1.00 0.00 C ATOM 1394 O ASP A 92 4.248 18.464 7.027 1.00 0.00 O ATOM 1395 CB ASP A 92 5.461 17.193 4.920 1.00 0.00 C ATOM 1396 CG ASP A 92 6.611 16.938 5.875 1.00 0.00 C ATOM 1397 OD1 ASP A 92 7.139 15.806 5.880 1.00 0.00 O ATOM 1398 OD2 ASP A 92 6.983 17.870 6.617 1.00 0.00 O ATOM 0 H ASP A 92 3.081 17.211 3.722 1.00 0.00 H new ATOM 0 HA ASP A 92 4.308 15.707 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.680 16.727 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.372 18.265 4.742 1.00 0.00 H new ATOM 1403 N ASP A 93 2.228 17.541 6.665 1.00 0.00 N ATOM 1404 CA ASP A 93 1.537 18.421 7.601 1.00 0.00 C ATOM 1405 C ASP A 93 1.453 19.841 7.050 1.00 0.00 C ATOM 1406 O ASP A 93 1.742 20.809 7.755 1.00 0.00 O ATOM 1407 CB ASP A 93 2.253 18.426 8.952 1.00 0.00 C ATOM 1408 CG ASP A 93 1.311 18.709 10.106 1.00 0.00 C ATOM 1409 OD1 ASP A 93 1.036 19.899 10.369 1.00 0.00 O ATOM 1410 OD2 ASP A 93 0.847 17.742 10.744 1.00 0.00 O ATOM 0 H ASP A 93 1.625 16.863 6.200 1.00 0.00 H new ATOM 0 HA ASP A 93 0.524 18.043 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.734 17.461 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.042 19.177 8.939 1.00 0.00 H new ATOM 1415 N ARG A 94 1.056 19.959 5.788 1.00 0.00 N ATOM 1416 CA ARG A 94 0.937 21.260 5.142 1.00 0.00 C ATOM 1417 C ARG A 94 -0.323 21.985 5.609 1.00 0.00 C ATOM 1418 O ARG A 94 -1.139 22.418 4.796 1.00 0.00 O ATOM 1419 CB ARG A 94 0.910 21.099 3.621 1.00 0.00 C ATOM 1420 CG ARG A 94 2.259 20.734 3.024 1.00 0.00 C ATOM 1421 CD ARG A 94 3.161 21.952 2.897 1.00 0.00 C ATOM 1422 NE ARG A 94 2.998 22.622 1.610 1.00 0.00 N ATOM 1423 CZ ARG A 94 3.499 23.821 1.337 1.00 0.00 C ATOM 1424 NH1 ARG A 94 4.192 24.479 2.256 1.00 0.00 N ATOM 1425 NH2 ARG A 94 3.309 24.365 0.142 1.00 0.00 N ATOM 0 H ARG A 94 0.811 19.168 5.192 1.00 0.00 H new ATOM 0 HA ARG A 94 1.805 21.857 5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.185 20.328 3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.563 22.029 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.744 19.985 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.114 20.284 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.939 22.653 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.201 21.647 3.018 1.00 0.00 H new ATOM 0 HE ARG A 94 2.470 22.143 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.342 24.064 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.576 25.400 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.777 23.862 -0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.694 25.286 -0.066 1.00 0.00 H new ATOM 1439 N SER A 95 -0.472 22.112 6.924 1.00 0.00 N ATOM 1440 CA SER A 95 -1.634 22.780 7.500 1.00 0.00 C ATOM 1441 C SER A 95 -2.925 22.091 7.071 1.00 0.00 C ATOM 1442 O SER A 95 -3.949 22.741 6.861 1.00 0.00 O ATOM 1443 CB SER A 95 -1.664 24.251 7.078 1.00 0.00 C ATOM 1444 OG SER A 95 -0.367 24.820 7.122 1.00 0.00 O ATOM 0 H SER A 95 0.197 21.762 7.610 1.00 0.00 H new ATOM 0 HA SER A 95 -1.555 22.721 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.068 24.335 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.331 24.808 7.736 1.00 0.00 H new ATOM 0 HG SER A 95 -0.412 25.759 6.847 1.00 0.00 H new ATOM 1450 N SER A 96 -2.868 20.769 6.942 1.00 0.00 N ATOM 1451 CA SER A 96 -4.031 19.990 6.534 1.00 0.00 C ATOM 1452 C SER A 96 -4.789 19.468 7.751 1.00 0.00 C ATOM 1453 O SER A 96 -4.403 19.720 8.892 1.00 0.00 O ATOM 1454 CB SER A 96 -3.602 18.820 5.646 1.00 0.00 C ATOM 1455 OG SER A 96 -3.593 19.194 4.279 1.00 0.00 O ATOM 0 H SER A 96 -2.029 20.215 7.114 1.00 0.00 H new ATOM 0 HA SER A 96 -4.694 20.643 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.609 18.481 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.281 17.980 5.792 1.00 0.00 H new ATOM 0 HG SER A 96 -3.314 18.430 3.733 1.00 0.00 H new ATOM 1461 N ALA A 97 -5.871 18.738 7.498 1.00 0.00 N ATOM 1462 CA ALA A 97 -6.682 18.178 8.572 1.00 0.00 C ATOM 1463 C ALA A 97 -6.967 16.700 8.331 1.00 0.00 C ATOM 1464 O ALA A 97 -7.571 16.331 7.323 1.00 0.00 O ATOM 1465 CB ALA A 97 -7.984 18.953 8.708 1.00 0.00 C ATOM 0 H ALA A 97 -6.206 18.521 6.559 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.120 18.266 9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.580 18.524 9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.764 19.996 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.542 18.894 7.773 1.00 0.00 H new ATOM 1471 N ILE A 98 -6.529 15.858 9.261 1.00 0.00 N ATOM 1472 CA ILE A 98 -6.738 14.420 9.149 1.00 0.00 C ATOM 1473 C ILE A 98 -8.173 14.044 9.502 1.00 0.00 C ATOM 1474 O ILE A 98 -8.722 14.473 10.517 1.00 0.00 O ATOM 1475 CB ILE A 98 -5.775 13.638 10.061 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -4.389 13.550 9.420 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -6.324 12.247 10.343 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -4.338 12.636 8.215 1.00 0.00 C ATOM 0 H ILE A 98 -6.027 16.147 10.101 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.540 14.152 8.111 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.683 14.170 11.008 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.071 14.549 9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.675 13.197 10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.632 11.707 10.989 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.292 12.331 10.838 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.442 11.705 9.405 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.325 12.622 7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.625 11.627 8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.027 13.000 7.453 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.797 13.220 8.646 1.00 0.00 N ATOM 1491 CA PRO A 99 -10.176 12.766 8.848 1.00 0.00 C ATOM 1492 C PRO A 99 -10.302 11.800 10.021 1.00 0.00 C ATOM 1493 O PRO A 99 -9.336 11.137 10.399 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.511 12.056 7.533 1.00 0.00 C ATOM 1495 CG PRO A 99 -9.194 11.620 6.992 1.00 0.00 C ATOM 1496 CD PRO A 99 -8.204 12.670 7.416 1.00 0.00 C ATOM 0 HA PRO A 99 -10.847 13.592 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.172 11.205 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -11.021 12.725 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.916 10.641 7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.228 11.532 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.219 12.242 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.080 13.437 6.652 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.498 11.727 10.594 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.751 10.841 11.725 1.00 0.00 C ATOM 1506 C ASP A 100 -11.508 9.385 11.339 1.00 0.00 C ATOM 1507 O ASP A 100 -11.214 9.078 10.184 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.186 11.016 12.226 1.00 0.00 C ATOM 1509 CG ASP A 100 -14.141 11.419 11.120 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -14.059 12.576 10.659 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.970 10.577 10.716 1.00 0.00 O ATOM 0 H ASP A 100 -12.308 12.270 10.294 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.060 11.106 12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.527 10.083 12.674 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.204 11.772 13.011 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.632 8.491 12.315 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.424 7.067 12.078 1.00 0.00 C ATOM 1518 C PHE A 101 -12.633 6.257 12.537 1.00 0.00 C ATOM 1519 O PHE A 101 -12.491 5.154 13.066 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.168 6.586 12.807 1.00 0.00 C ATOM 1521 CG PHE A 101 -8.954 7.426 12.527 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.702 7.899 11.249 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.066 7.742 13.542 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.586 8.673 10.989 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -6.949 8.516 13.288 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.708 8.980 12.009 1.00 0.00 C ATOM 0 H PHE A 101 -11.875 8.727 13.277 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.294 6.917 11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.359 6.584 13.880 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -9.962 5.556 12.518 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.385 7.660 10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.248 7.380 14.543 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.402 9.037 9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.265 8.758 14.088 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.834 9.582 11.808 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.823 6.813 12.332 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.057 6.144 12.726 1.00 0.00 C ATOM 1538 C ARG A 102 -16.029 6.062 11.553 1.00 0.00 C ATOM 1539 O ARG A 102 -16.753 5.078 11.400 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.712 6.882 13.895 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.816 7.004 15.117 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.401 7.962 16.142 1.00 0.00 C ATOM 1543 NE ARG A 102 -16.322 7.292 17.055 1.00 0.00 N ATOM 1544 CZ ARG A 102 -16.609 7.742 18.272 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -16.050 8.858 18.718 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -17.458 7.076 19.044 1.00 0.00 N ATOM 0 H ARG A 102 -13.958 7.725 11.895 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.807 5.131 13.040 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.002 7.880 13.567 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.627 6.360 14.176 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.681 6.022 15.570 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.829 7.353 14.813 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.593 8.419 16.713 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.923 8.768 15.627 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.770 6.431 16.742 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.398 9.373 18.127 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.272 9.201 19.652 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.891 6.218 18.704 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.677 7.422 19.978 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.041 7.103 10.727 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.924 7.150 9.568 1.00 0.00 C ATOM 1562 C ASP A 103 -16.163 6.805 8.291 1.00 0.00 C ATOM 1563 O ASP A 103 -15.092 7.344 8.013 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.559 8.535 9.439 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.674 8.756 10.442 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.801 8.278 10.193 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.420 9.407 11.477 1.00 0.00 O ATOM 0 H ASP A 103 -15.449 7.926 10.839 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.711 6.410 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.793 9.297 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.952 8.659 8.430 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.727 5.883 7.496 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.119 5.445 6.237 1.00 0.00 C ATOM 1574 C PRO A 104 -16.154 6.532 5.167 1.00 0.00 C ATOM 1575 O PRO A 104 -15.311 6.560 4.271 1.00 0.00 O ATOM 1576 CB PRO A 104 -16.986 4.255 5.819 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.304 4.501 6.468 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.003 5.199 7.766 1.00 0.00 C ATOM 0 HA PRO A 104 -15.064 5.199 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.083 4.197 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.551 3.312 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -18.943 5.115 5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.834 3.565 6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.789 5.905 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.914 4.492 8.591 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.134 7.423 5.268 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.278 8.512 4.308 1.00 0.00 C ATOM 1588 C GLN A 105 -16.091 9.466 4.385 1.00 0.00 C ATOM 1589 O GLN A 105 -15.519 9.846 3.363 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.578 9.275 4.562 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.827 8.429 4.376 1.00 0.00 C ATOM 1592 CD GLN A 105 -21.083 9.127 4.861 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.818 9.724 4.074 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -21.336 9.056 6.162 1.00 0.00 N ATOM 0 H GLN A 105 -17.840 7.413 6.004 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.309 8.079 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.565 9.670 5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.625 10.130 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -19.939 8.180 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.708 7.489 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -20.700 8.551 6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -22.167 9.507 6.545 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.724 9.850 5.603 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.605 10.759 5.815 1.00 0.00 C ATOM 1605 C LYS A 106 -13.291 10.113 5.387 1.00 0.00 C ATOM 1606 O LYS A 106 -12.487 10.725 4.683 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.527 11.171 7.287 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.792 11.835 7.801 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.882 13.284 7.353 1.00 0.00 C ATOM 1610 CE LYS A 106 -17.202 13.916 7.770 1.00 0.00 C ATOM 1611 NZ LYS A 106 -18.262 13.714 6.744 1.00 0.00 N ATOM 0 H LYS A 106 -16.187 9.545 6.459 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.770 11.646 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.319 10.289 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.688 11.854 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.663 11.287 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.812 11.788 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.055 13.850 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.778 13.338 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.527 13.486 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.057 14.983 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.145 14.159 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.963 14.146 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.419 12.696 6.603 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.079 8.873 5.815 1.00 0.00 N ATOM 1626 CA VAL A 107 -11.864 8.143 5.473 1.00 0.00 C ATOM 1627 C VAL A 107 -11.802 7.848 3.979 1.00 0.00 C ATOM 1628 O VAL A 107 -10.748 7.966 3.354 1.00 0.00 O ATOM 1629 CB VAL A 107 -11.767 6.818 6.252 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.595 5.988 5.751 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.643 7.085 7.744 1.00 0.00 C ATOM 0 H VAL A 107 -13.733 8.353 6.400 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.024 8.780 5.749 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.682 6.250 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.543 5.056 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.732 5.766 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.669 6.546 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.576 6.138 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -10.746 7.674 7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.518 7.635 8.089 1.00 0.00 H new ATOM 1641 N LYS A 108 -12.939 7.463 3.410 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.017 7.152 1.988 1.00 0.00 C ATOM 1643 C LYS A 108 -12.700 8.382 1.143 1.00 0.00 C ATOM 1644 O LYS A 108 -11.754 8.378 0.356 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.409 6.624 1.635 1.00 0.00 C ATOM 1646 CG LYS A 108 -14.617 6.402 0.147 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.092 6.288 -0.199 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.301 6.096 -1.694 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.161 4.668 -2.094 1.00 0.00 N ATOM 0 H LYS A 108 -13.820 7.359 3.913 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.277 6.382 1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.576 5.684 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.158 7.329 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.174 7.228 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.099 5.494 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.530 5.449 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.614 7.186 0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.292 6.456 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.578 6.700 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.310 4.578 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.207 4.332 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.868 4.095 -1.590 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.495 9.434 1.315 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.297 10.670 0.569 1.00 0.00 C ATOM 1665 C GLU A 109 -11.836 11.108 0.619 1.00 0.00 C ATOM 1666 O GLU A 109 -11.271 11.543 -0.385 1.00 0.00 O ATOM 1667 CB GLU A 109 -14.192 11.778 1.127 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.640 11.674 0.680 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.898 12.384 -0.635 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.580 13.587 -0.731 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.417 11.736 -1.567 1.00 0.00 O ATOM 0 H GLU A 109 -14.281 9.454 1.964 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.567 10.484 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.154 11.750 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.794 12.745 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.911 10.623 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -16.285 12.098 1.450 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.229 10.990 1.796 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.834 11.375 1.979 1.00 0.00 C ATOM 1680 C PHE A 110 -8.904 10.410 1.251 1.00 0.00 C ATOM 1681 O PHE A 110 -7.949 10.826 0.593 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.485 11.413 3.468 1.00 0.00 C ATOM 1683 CG PHE A 110 -8.007 11.438 3.736 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.226 10.321 3.489 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.400 12.579 4.237 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.865 10.341 3.735 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -6.041 12.605 4.484 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.273 11.485 4.234 1.00 0.00 C ATOM 0 H PHE A 110 -11.681 10.631 2.637 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.699 12.370 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.943 12.294 3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.920 10.542 3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.685 9.424 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.996 13.457 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.266 9.464 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.580 13.501 4.872 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.211 11.503 4.428 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.188 9.118 1.374 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.377 8.091 0.728 1.00 0.00 C ATOM 1700 C LEU A 111 -8.345 8.293 -0.783 1.00 0.00 C ATOM 1701 O LEU A 111 -7.343 8.002 -1.436 1.00 0.00 O ATOM 1702 CB LEU A 111 -8.923 6.701 1.057 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.383 6.051 2.331 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.122 4.755 2.624 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -6.887 5.798 2.208 1.00 0.00 C ATOM 0 H LEU A 111 -9.974 8.756 1.915 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.359 8.174 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.008 6.769 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.708 6.040 0.217 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.548 6.735 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.724 4.307 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.184 4.963 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.989 4.064 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.520 5.335 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.698 5.134 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.370 6.744 2.047 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.447 8.795 -1.332 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.543 9.038 -2.766 1.00 0.00 C ATOM 1719 C GLN A 112 -8.533 10.091 -3.210 1.00 0.00 C ATOM 1720 O GLN A 112 -7.944 9.984 -4.285 1.00 0.00 O ATOM 1721 CB GLN A 112 -10.959 9.485 -3.135 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.023 8.439 -2.842 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.305 8.679 -3.614 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.979 9.692 -3.421 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -13.650 7.747 -4.494 1.00 0.00 N ATOM 0 H GLN A 112 -10.285 9.041 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.317 8.105 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.197 10.397 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.988 9.733 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.634 7.451 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.241 8.437 -1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.062 6.923 -4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.503 7.854 -5.043 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.339 11.107 -2.374 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.400 12.179 -2.682 1.00 0.00 C ATOM 1736 C GLU A 113 -5.962 11.672 -2.639 1.00 0.00 C ATOM 1737 O GLU A 113 -5.039 12.348 -3.097 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.574 13.337 -1.697 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.011 13.811 -1.562 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.138 15.052 -0.700 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.658 15.026 0.452 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -9.718 16.050 -1.178 1.00 0.00 O ATOM 0 H GLU A 113 -8.819 11.210 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.611 12.534 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.209 13.028 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.953 14.173 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.416 14.018 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.614 13.011 -1.132 1.00 0.00 H new ATOM 1749 N LYS A 114 -5.778 10.478 -2.086 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.453 9.878 -1.984 1.00 0.00 C ATOM 1751 C LYS A 114 -4.351 8.631 -2.855 1.00 0.00 C ATOM 1752 O LYS A 114 -3.262 8.099 -3.070 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.143 9.523 -0.528 1.00 0.00 C ATOM 1754 CG LYS A 114 -2.755 8.940 -0.326 1.00 0.00 C ATOM 1755 CD LYS A 114 -2.469 8.676 1.143 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.890 7.272 1.549 1.00 0.00 C ATOM 1757 NZ LYS A 114 -4.318 7.005 1.223 1.00 0.00 N ATOM 0 H LYS A 114 -6.530 9.906 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.724 10.607 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.244 10.419 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.884 8.807 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.665 8.010 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.009 9.627 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.405 8.808 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.998 9.407 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.259 6.543 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.731 7.140 2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.599 6.086 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.913 7.754 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.441 6.988 0.190 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.492 8.171 -3.357 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.531 6.985 -4.205 1.00 0.00 C ATOM 1773 C TYR A 115 -6.006 7.337 -5.611 1.00 0.00 C ATOM 1774 O TYR A 115 -5.373 6.973 -6.601 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.449 5.925 -3.594 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.743 4.991 -2.637 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.523 4.415 -2.970 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.295 4.686 -1.399 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.875 3.561 -2.100 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.653 3.833 -0.521 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.444 3.273 -0.876 1.00 0.00 C ATOM 1782 OH TYR A 115 -3.801 2.423 -0.006 1.00 0.00 O ATOM 0 H TYR A 115 -6.402 8.601 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.520 6.584 -4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.264 6.422 -3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.897 5.339 -4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.074 4.639 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.242 5.123 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.928 3.121 -2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.096 3.606 0.438 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.334 2.327 0.811 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.127 8.047 -5.689 1.00 0.00 N ATOM 1793 CA GLU A 116 -7.689 8.448 -6.974 1.00 0.00 C ATOM 1794 C GLU A 116 -6.994 9.699 -7.505 1.00 0.00 C ATOM 1795 O GLU A 116 -6.420 9.689 -8.594 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.192 8.704 -6.841 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.043 7.468 -7.076 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.440 7.804 -7.560 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -11.968 8.862 -7.158 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.005 7.011 -8.341 1.00 0.00 O ATOM 0 H GLU A 116 -7.664 8.356 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.527 7.635 -7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.399 9.093 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.485 9.477 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.553 6.828 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.111 6.897 -6.150 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.050 10.775 -6.727 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.426 12.034 -7.117 1.00 0.00 C ATOM 1809 C LYS A 117 -4.906 11.934 -7.040 1.00 0.00 C ATOM 1810 O LYS A 117 -4.190 12.644 -7.747 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.919 13.170 -6.218 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.429 13.208 -6.059 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.084 14.037 -7.152 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.601 13.963 -7.074 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.141 14.801 -5.967 1.00 0.00 N ATOM 0 H LYS A 117 -7.521 10.800 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.707 12.247 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.461 13.068 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.581 14.121 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.824 12.193 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.683 13.624 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.764 15.075 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.751 13.683 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.030 14.292 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.907 12.927 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.178 14.724 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.752 14.472 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.871 15.794 -6.119 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.418 11.048 -6.179 1.00 0.00 N ATOM 1830 CA LYS A 118 -2.983 10.852 -6.012 1.00 0.00 C ATOM 1831 C LYS A 118 -2.291 12.168 -5.667 1.00 0.00 C ATOM 1832 O LYS A 118 -1.194 12.448 -6.150 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.375 10.264 -7.287 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.368 8.745 -7.313 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.920 8.212 -8.663 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.943 6.692 -8.698 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.104 6.171 -10.084 1.00 0.00 N ATOM 0 H LYS A 118 -4.996 10.453 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.831 10.154 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.933 10.631 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.352 10.626 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.704 8.370 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.367 8.372 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.571 8.605 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.912 8.567 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.018 6.305 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -2.760 6.327 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.115 5.131 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.999 6.519 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.311 6.498 -10.672 1.00 0.00 H new ATOM 1851 N ARG A 119 -2.939 12.969 -4.828 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.386 14.255 -4.419 1.00 0.00 C ATOM 1853 C ARG A 119 -0.951 14.096 -3.925 1.00 0.00 C ATOM 1854 O ARG A 119 -0.008 14.554 -4.570 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.248 14.879 -3.320 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.215 16.398 -3.310 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.518 16.980 -2.784 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.328 18.302 -2.193 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.235 18.904 -1.431 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.388 18.305 -1.169 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.988 20.107 -0.929 1.00 0.00 N ATOM 0 H ARG A 119 -3.847 12.751 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.383 14.914 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.279 14.547 -3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.910 14.510 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.386 16.741 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.032 16.766 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.240 17.047 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.941 16.307 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.451 18.790 -2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.581 17.380 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.083 18.769 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.101 20.570 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.685 20.568 -0.344 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.794 13.446 -2.777 1.00 0.00 N ATOM 1876 CA TRP A 120 0.526 13.228 -2.197 1.00 0.00 C ATOM 1877 C TRP A 120 1.149 11.942 -2.728 1.00 0.00 C ATOM 1878 O TRP A 120 1.598 11.094 -1.957 1.00 0.00 O ATOM 1879 CB TRP A 120 0.432 13.171 -0.671 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.485 14.207 -0.094 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.148 15.470 0.303 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.888 14.068 0.153 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.257 16.124 0.782 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.338 15.286 0.700 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.809 13.034 -0.036 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.667 15.495 1.059 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.127 13.243 0.322 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.546 14.465 0.863 1.00 0.00 C ATOM 0 H TRP A 120 -1.564 13.061 -2.230 1.00 0.00 H new ATOM 0 HA TRP A 120 1.164 14.064 -2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.085 12.182 -0.372 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.428 13.301 -0.248 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.845 15.892 0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.273 17.079 1.141 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.496 12.089 -0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.992 16.436 1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.847 12.450 0.182 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.584 14.597 1.131 1.00 0.00 H new ATOM 1899 N TYR A 121 1.173 11.803 -4.049 1.00 0.00 N ATOM 1900 CA TYR A 121 1.739 10.619 -4.683 1.00 0.00 C ATOM 1901 C TYR A 121 3.199 10.849 -5.063 1.00 0.00 C ATOM 1902 O TYR A 121 3.521 11.779 -5.802 1.00 0.00 O ATOM 1903 CB TYR A 121 0.930 10.243 -5.926 1.00 0.00 C ATOM 1904 CG TYR A 121 1.563 9.147 -6.752 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.888 7.921 -6.184 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.835 9.336 -8.101 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.467 6.917 -6.935 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.413 8.337 -8.861 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.727 7.129 -8.273 1.00 0.00 C ATOM 1910 OH TYR A 121 3.303 6.131 -9.025 1.00 0.00 O ATOM 0 H TYR A 121 0.807 12.496 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 121 1.694 9.799 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.066 9.925 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.804 11.129 -6.549 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.684 7.750 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.590 10.281 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.715 5.971 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.618 8.501 -9.909 1.00 0.00 H new ATOM 0 HH TYR A 121 3.418 6.441 -9.947 1.00 0.00 H new ATOM 1920 N VAL A 122 4.079 9.994 -4.552 1.00 0.00 N ATOM 1921 CA VAL A 122 5.504 10.101 -4.838 1.00 0.00 C ATOM 1922 C VAL A 122 6.175 8.732 -4.811 1.00 0.00 C ATOM 1923 O VAL A 122 6.407 8.147 -3.753 1.00 0.00 O ATOM 1924 CB VAL A 122 6.211 11.026 -3.829 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.704 11.084 -4.112 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.599 12.419 -3.864 1.00 0.00 C ATOM 0 H VAL A 122 3.829 9.219 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 122 5.595 10.527 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 122 6.071 10.617 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.186 11.742 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.129 10.083 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.869 11.468 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.110 13.059 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.706 12.839 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.541 12.358 -3.608 1.00 0.00 H new ATOM 1936 N PRO A 123 6.495 8.207 -6.003 1.00 0.00 N ATOM 1937 CA PRO A 123 7.145 6.901 -6.144 1.00 0.00 C ATOM 1938 C PRO A 123 8.588 6.916 -5.652 1.00 0.00 C ATOM 1939 O PRO A 123 9.287 7.927 -5.733 1.00 0.00 O ATOM 1940 CB PRO A 123 7.096 6.641 -7.652 1.00 0.00 C ATOM 1941 CG PRO A 123 7.028 7.996 -8.268 1.00 0.00 C ATOM 1942 CD PRO A 123 6.248 8.849 -7.305 1.00 0.00 C ATOM 0 HA PRO A 123 6.650 6.133 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.978 6.097 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.228 6.039 -7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 123 8.027 8.402 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.538 7.958 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.592 9.883 -7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.186 8.864 -7.551 1.00 0.00 H new ATOM 1950 N PRO A 124 9.049 5.769 -5.131 1.00 0.00 N ATOM 1951 CA PRO A 124 10.414 5.624 -4.618 1.00 0.00 C ATOM 1952 C PRO A 124 11.458 5.652 -5.729 1.00 0.00 C ATOM 1953 O PRO A 124 12.547 6.196 -5.555 1.00 0.00 O ATOM 1954 CB PRO A 124 10.394 4.253 -3.937 1.00 0.00 C ATOM 1955 CG PRO A 124 9.310 3.502 -4.630 1.00 0.00 C ATOM 1956 CD PRO A 124 8.272 4.524 -5.004 1.00 0.00 C ATOM 0 HA PRO A 124 10.687 6.442 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.354 3.747 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.193 4.344 -2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.692 2.992 -5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.887 2.737 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.772 4.266 -5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.499 4.609 -4.241 1.00 0.00 H new ATOM 1964 N GLU A 125 11.116 5.063 -6.871 1.00 0.00 N ATOM 1965 CA GLU A 125 12.025 5.021 -8.010 1.00 0.00 C ATOM 1966 C GLU A 125 12.849 6.302 -8.096 1.00 0.00 C ATOM 1967 O GLU A 125 13.995 6.285 -8.544 1.00 0.00 O ATOM 1968 CB GLU A 125 11.242 4.817 -9.308 1.00 0.00 C ATOM 1969 CG GLU A 125 10.834 3.374 -9.553 1.00 0.00 C ATOM 1970 CD GLU A 125 9.682 3.251 -10.531 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.604 3.816 -10.251 1.00 0.00 O ATOM 1972 OE2 GLU A 125 9.858 2.591 -11.576 1.00 0.00 O ATOM 0 H GLU A 125 10.217 4.609 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 125 12.705 4.181 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.348 5.439 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.848 5.162 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 125 11.690 2.818 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.552 2.914 -8.606 1.00 0.00 H new ATOM 1979 N GLN A 126 12.256 7.410 -7.664 1.00 0.00 N ATOM 1980 CA GLN A 126 12.935 8.701 -7.693 1.00 0.00 C ATOM 1981 C GLN A 126 13.449 9.076 -6.308 1.00 0.00 C ATOM 1982 O GLN A 126 14.578 9.544 -6.160 1.00 0.00 O ATOM 1983 CB GLN A 126 11.989 9.786 -8.211 1.00 0.00 C ATOM 1984 CG GLN A 126 12.681 11.109 -8.498 1.00 0.00 C ATOM 1985 CD GLN A 126 13.435 11.099 -9.813 1.00 0.00 C ATOM 1986 OE1 GLN A 126 14.665 11.156 -9.837 1.00 0.00 O ATOM 1987 NE2 GLN A 126 12.700 11.027 -10.917 1.00 0.00 N ATOM 0 H GLN A 126 11.308 7.440 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 126 13.788 8.621 -8.367 1.00 0.00 H new ATOM 0 HB2 GLN A 126 11.508 9.432 -9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.200 9.950 -7.477 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.939 11.907 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 126 13.374 11.336 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 126 11.683 10.981 -10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 126 13.152 11.017 -11.831 1.00 0.00 H new ATOM 1996 N ALA A 127 12.614 8.870 -5.295 1.00 0.00 N ATOM 1997 CA ALA A 127 12.985 9.185 -3.921 1.00 0.00 C ATOM 1998 C ALA A 127 14.342 8.586 -3.568 1.00 0.00 C ATOM 1999 O ALA A 127 15.191 9.251 -2.975 1.00 0.00 O ATOM 2000 CB ALA A 127 11.918 8.686 -2.958 1.00 0.00 C ATOM 0 H ALA A 127 11.675 8.486 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 127 13.061 10.269 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.209 8.928 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.967 9.166 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.813 7.606 -3.059 1.00 0.00 H new ATOM 2006 N LYS A 128 14.540 7.324 -3.935 1.00 0.00 N ATOM 2007 CA LYS A 128 15.794 6.633 -3.657 1.00 0.00 C ATOM 2008 C LYS A 128 16.514 6.273 -4.952 1.00 0.00 C ATOM 2009 O LYS A 128 15.991 5.522 -5.776 1.00 0.00 O ATOM 2010 CB LYS A 128 15.532 5.368 -2.837 1.00 0.00 C ATOM 2011 CG LYS A 128 15.453 5.619 -1.341 1.00 0.00 C ATOM 2012 CD LYS A 128 16.816 5.959 -0.760 1.00 0.00 C ATOM 2013 CE LYS A 128 17.661 4.712 -0.553 1.00 0.00 C ATOM 2014 NZ LYS A 128 17.415 4.089 0.777 1.00 0.00 N ATOM 0 H LYS A 128 13.847 6.759 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 128 16.431 7.305 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.598 4.915 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.325 4.646 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.759 6.436 -1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.054 4.735 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 128 17.336 6.645 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.688 6.475 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.440 3.989 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.716 4.969 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.010 3.242 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.650 4.769 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.413 3.820 0.854 1.00 0.00 H new ATOM 2028 N SER A 129 17.717 6.810 -5.125 1.00 0.00 N ATOM 2029 CA SER A 129 18.508 6.546 -6.321 1.00 0.00 C ATOM 2030 C SER A 129 18.458 5.067 -6.690 1.00 0.00 C ATOM 2031 O SER A 129 18.972 4.216 -5.964 1.00 0.00 O ATOM 2032 CB SER A 129 19.959 6.981 -6.105 1.00 0.00 C ATOM 2033 OG SER A 129 20.039 8.365 -5.812 1.00 0.00 O ATOM 0 H SER A 129 18.166 7.431 -4.452 1.00 0.00 H new ATOM 0 HA SER A 129 18.082 7.122 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 129 20.396 6.407 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 129 20.545 6.761 -6.998 1.00 0.00 H new ATOM 0 HG SER A 129 20.976 8.617 -5.677 1.00 0.00 H new ATOM 2039 N GLY A 130 17.835 4.767 -7.825 1.00 0.00 N ATOM 2040 CA GLY A 130 17.728 3.390 -8.272 1.00 0.00 C ATOM 2041 C GLY A 130 16.298 2.888 -8.265 1.00 0.00 C ATOM 2042 O GLY A 130 15.700 2.667 -7.212 1.00 0.00 O ATOM 0 H GLY A 130 17.402 5.453 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 130 18.134 3.306 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 130 18.336 2.754 -7.629 1.00 0.00 H new ATOM 2046 N PRO A 131 15.726 2.702 -9.464 1.00 0.00 N ATOM 2047 CA PRO A 131 14.350 2.221 -9.619 1.00 0.00 C ATOM 2048 C PRO A 131 14.196 0.760 -9.210 1.00 0.00 C ATOM 2049 O PRO A 131 15.185 0.058 -8.999 1.00 0.00 O ATOM 2050 CB PRO A 131 14.083 2.388 -11.117 1.00 0.00 C ATOM 2051 CG PRO A 131 15.429 2.330 -11.751 1.00 0.00 C ATOM 2052 CD PRO A 131 16.380 2.945 -10.761 1.00 0.00 C ATOM 0 HA PRO A 131 13.653 2.768 -8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 131 13.434 1.598 -11.494 1.00 0.00 H new ATOM 0 HB3 PRO A 131 13.587 3.336 -11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 131 15.711 1.301 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 131 15.440 2.876 -12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 131 17.365 2.480 -10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 131 16.521 4.010 -10.947 1.00 0.00 H new ATOM 2060 N SER A 132 12.951 0.310 -9.099 1.00 0.00 N ATOM 2061 CA SER A 132 12.668 -1.067 -8.711 1.00 0.00 C ATOM 2062 C SER A 132 12.668 -1.986 -9.930 1.00 0.00 C ATOM 2063 O SER A 132 11.614 -2.304 -10.481 1.00 0.00 O ATOM 2064 CB SER A 132 11.319 -1.151 -7.995 1.00 0.00 C ATOM 2065 OG SER A 132 11.146 -2.415 -7.379 1.00 0.00 O ATOM 0 H SER A 132 12.122 0.878 -9.272 1.00 0.00 H new ATOM 0 HA SER A 132 13.453 -1.395 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.253 -0.365 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.514 -0.978 -8.709 1.00 0.00 H new ATOM 0 HG SER A 132 10.277 -2.442 -6.927 1.00 0.00 H new ATOM 2071 N SER A 133 13.858 -2.408 -10.344 1.00 0.00 N ATOM 2072 CA SER A 133 13.997 -3.287 -11.500 1.00 0.00 C ATOM 2073 C SER A 133 13.507 -4.695 -11.174 1.00 0.00 C ATOM 2074 O SER A 133 14.295 -5.575 -10.832 1.00 0.00 O ATOM 2075 CB SER A 133 15.456 -3.336 -11.957 1.00 0.00 C ATOM 2076 OG SER A 133 16.320 -3.639 -10.875 1.00 0.00 O ATOM 0 H SER A 133 14.740 -2.156 -9.897 1.00 0.00 H new ATOM 0 HA SER A 133 13.384 -2.885 -12.307 1.00 0.00 H new ATOM 0 HB2 SER A 133 15.570 -4.087 -12.739 1.00 0.00 H new ATOM 0 HB3 SER A 133 15.736 -2.377 -12.393 1.00 0.00 H new ATOM 0 HG SER A 133 16.053 -4.492 -10.472 1.00 0.00 H new ATOM 2082 N GLY A 134 12.197 -4.899 -11.283 1.00 0.00 N ATOM 2083 CA GLY A 134 11.623 -6.200 -10.996 1.00 0.00 C ATOM 2084 C GLY A 134 10.112 -6.155 -10.882 1.00 0.00 C ATOM 2085 O GLY A 134 9.601 -5.604 -9.908 1.00 0.00 O ATOM 0 H GLY A 134 11.524 -4.186 -11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.904 -6.899 -11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.043 -6.582 -10.066 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.513 0.573 8.439 1.00 0.00 ZN