USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 872 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 78 GLN : amide:sc= -0.0652 X(o=-0.065,f=0.0026) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 LYS NZ :NH3+ -111:sc= 0.0631 (180deg=0) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0.0592 USER MOD Set 3.1: A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 30 CYS SG : rot -18:sc= 0.608 USER MOD Set 4.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 31 TYR OH : rot -159:sc= 0.219 USER MOD Set 5.2: A 79 TYR OH : rot 180:sc= -0.793 USER MOD Set 6.1: A 29 THR OG1 : rot -73:sc= 0.807 USER MOD Set 6.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.091 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 82:sc= 0.445 USER MOD Single : A 42 TYR OH : rot -95:sc= 0.694 USER MOD Single : A 45 SER OG : rot -1:sc= 0.31 USER MOD Single : A 48 SER OG : rot 38:sc= 0.276 USER MOD Single : A 49 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 57 TYR OH : rot 169:sc= 1.24 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0729) USER MOD Single : A 74 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-1.3) USER MOD Single : A 75 CYS SG : rot -25:sc= 0.473 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.232 K(o=-0.23,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= 0.715 (180deg=-0.78) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 156:sc= -0.439 (180deg=-1) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.13) USER MOD Single : A 93 ASN : amide:sc= -1.68 X(o=-1.7,f=-2.1!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.79 K(o=-0.79,f=-4.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -175:sc= 1.11 (180deg=1.09) USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 0.496 (180deg=0.36) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0.0013) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.205 -10.766 -2.684 1.00 22.30 N ATOM 2 CA GLY A 1 20.345 -10.689 -4.138 1.00 74.23 C ATOM 3 C GLY A 1 20.752 -9.293 -4.569 1.00 11.14 C ATOM 4 O GLY A 1 20.863 -8.379 -3.743 1.00 43.51 O ATOM 0 H1 GLY A 1 21.020 -11.272 -2.283 1.00 22.30 H new ATOM 0 H2 GLY A 1 20.165 -9.805 -2.288 1.00 22.30 H new ATOM 0 H3 GLY A 1 19.330 -11.276 -2.446 1.00 22.30 H new ATOM 0 HA2 GLY A 1 21.090 -11.410 -4.474 1.00 74.23 H new ATOM 0 HA3 GLY A 1 19.402 -10.960 -4.613 1.00 74.23 H new ATOM 8 N ASP A 2 21.018 -9.165 -5.862 1.00 22.14 N ATOM 9 CA ASP A 2 21.653 -8.030 -6.520 1.00 73.32 C ATOM 10 C ASP A 2 20.709 -6.839 -6.440 1.00 23.34 C ATOM 11 O ASP A 2 19.673 -6.840 -7.093 1.00 14.41 O ATOM 12 CB ASP A 2 21.998 -8.378 -7.979 1.00 3.40 C ATOM 13 CG ASP A 2 22.752 -9.698 -8.085 1.00 1.11 C ATOM 14 OD1 ASP A 2 23.784 -9.874 -7.392 1.00 24.04 O ATOM 15 OD2 ASP A 2 22.261 -10.622 -8.773 1.00 50.25 O ATOM 0 H ASP A 2 20.779 -9.902 -6.525 1.00 22.14 H new ATOM 0 HA ASP A 2 22.589 -7.780 -6.020 1.00 73.32 H new ATOM 0 HB2 ASP A 2 21.081 -8.436 -8.565 1.00 3.40 H new ATOM 0 HB3 ASP A 2 22.602 -7.579 -8.410 1.00 3.40 H new ATOM 20 N GLU A 3 21.038 -5.867 -5.583 1.00 14.42 N ATOM 21 CA GLU A 3 20.214 -4.717 -5.191 1.00 55.41 C ATOM 22 C GLU A 3 18.761 -5.067 -4.809 1.00 42.33 C ATOM 23 O GLU A 3 17.906 -4.187 -4.702 1.00 60.03 O ATOM 24 CB GLU A 3 20.343 -3.530 -6.170 1.00 61.13 C ATOM 25 CG GLU A 3 20.215 -3.793 -7.680 1.00 75.15 C ATOM 26 CD GLU A 3 21.527 -4.178 -8.373 1.00 64.05 C ATOM 27 OE1 GLU A 3 22.619 -4.072 -7.767 1.00 15.42 O ATOM 28 OE2 GLU A 3 21.504 -4.463 -9.593 1.00 71.23 O ATOM 0 H GLU A 3 21.944 -5.861 -5.115 1.00 14.42 H new ATOM 0 HA GLU A 3 20.642 -4.369 -4.251 1.00 55.41 H new ATOM 0 HB2 GLU A 3 19.585 -2.795 -5.898 1.00 61.13 H new ATOM 0 HB3 GLU A 3 21.314 -3.065 -5.998 1.00 61.13 H new ATOM 0 HG2 GLU A 3 19.489 -4.591 -7.836 1.00 75.15 H new ATOM 0 HG3 GLU A 3 19.815 -2.899 -8.159 1.00 75.15 H new ATOM 35 N ASP A 4 18.492 -6.336 -4.508 1.00 21.42 N ATOM 36 CA ASP A 4 17.164 -6.955 -4.512 1.00 33.11 C ATOM 37 C ASP A 4 16.684 -7.227 -3.088 1.00 31.13 C ATOM 38 O ASP A 4 15.764 -8.017 -2.847 1.00 65.25 O ATOM 39 CB ASP A 4 17.181 -8.234 -5.381 1.00 71.43 C ATOM 40 CG ASP A 4 16.717 -8.035 -6.824 1.00 50.52 C ATOM 41 OD1 ASP A 4 15.875 -7.149 -7.094 1.00 12.53 O ATOM 42 OD2 ASP A 4 17.052 -8.890 -7.676 1.00 4.14 O ATOM 0 H ASP A 4 19.226 -6.992 -4.242 1.00 21.42 H new ATOM 0 HA ASP A 4 16.448 -6.263 -4.955 1.00 33.11 H new ATOM 0 HB2 ASP A 4 18.194 -8.635 -5.392 1.00 71.43 H new ATOM 0 HB3 ASP A 4 16.546 -8.985 -4.910 1.00 71.43 H new ATOM 47 N ASP A 5 17.351 -6.599 -2.126 1.00 74.04 N ATOM 48 CA ASP A 5 16.821 -6.389 -0.781 1.00 11.13 C ATOM 49 C ASP A 5 17.156 -4.972 -0.330 1.00 50.13 C ATOM 50 O ASP A 5 17.999 -4.726 0.540 1.00 21.32 O ATOM 51 CB ASP A 5 17.278 -7.459 0.219 1.00 10.10 C ATOM 52 CG ASP A 5 16.383 -7.456 1.465 1.00 12.40 C ATOM 53 OD1 ASP A 5 16.316 -6.445 2.207 1.00 64.44 O ATOM 54 OD2 ASP A 5 15.707 -8.487 1.698 1.00 33.20 O ATOM 0 H ASP A 5 18.287 -6.216 -2.259 1.00 74.04 H new ATOM 0 HA ASP A 5 15.737 -6.498 -0.814 1.00 11.13 H new ATOM 0 HB2 ASP A 5 17.249 -8.441 -0.253 1.00 10.10 H new ATOM 0 HB3 ASP A 5 18.313 -7.275 0.508 1.00 10.10 H new ATOM 59 N LYS A 6 16.497 -4.007 -0.968 1.00 24.41 N ATOM 60 CA LYS A 6 16.535 -2.608 -0.598 1.00 44.34 C ATOM 61 C LYS A 6 15.286 -1.892 -1.081 1.00 54.52 C ATOM 62 O LYS A 6 14.511 -2.413 -1.885 1.00 61.33 O ATOM 63 CB LYS A 6 17.799 -1.938 -1.171 1.00 71.31 C ATOM 64 CG LYS A 6 18.823 -1.662 -0.067 1.00 21.41 C ATOM 65 CD LYS A 6 19.586 -0.362 -0.329 1.00 71.21 C ATOM 66 CE LYS A 6 20.567 -0.091 0.811 1.00 13.14 C ATOM 67 NZ LYS A 6 21.498 1.007 0.486 1.00 21.23 N ATOM 0 H LYS A 6 15.907 -4.190 -1.779 1.00 24.41 H new ATOM 0 HA LYS A 6 16.568 -2.539 0.489 1.00 44.34 H new ATOM 0 HB2 LYS A 6 18.243 -2.581 -1.931 1.00 71.31 H new ATOM 0 HB3 LYS A 6 17.528 -1.004 -1.663 1.00 71.31 H new ATOM 0 HG2 LYS A 6 18.315 -1.601 0.896 1.00 21.41 H new ATOM 0 HG3 LYS A 6 19.526 -2.493 -0.004 1.00 21.41 H new ATOM 0 HD2 LYS A 6 20.125 -0.431 -1.274 1.00 71.21 H new ATOM 0 HD3 LYS A 6 18.885 0.468 -0.422 1.00 71.21 H new ATOM 0 HE2 LYS A 6 20.012 0.159 1.716 1.00 13.14 H new ATOM 0 HE3 LYS A 6 21.134 -0.997 1.025 1.00 13.14 H new ATOM 0 HZ1 LYS A 6 22.147 1.160 1.284 1.00 21.23 H new ATOM 0 HZ2 LYS A 6 22.046 0.758 -0.362 1.00 21.23 H new ATOM 0 HZ3 LYS A 6 20.959 1.878 0.307 1.00 21.23 H new ATOM 81 N VAL A 7 15.137 -0.673 -0.567 1.00 4.52 N ATOM 82 CA VAL A 7 14.127 0.319 -0.880 1.00 3.41 C ATOM 83 C VAL A 7 14.320 0.791 -2.328 1.00 11.44 C ATOM 84 O VAL A 7 14.789 1.894 -2.612 1.00 71.31 O ATOM 85 CB VAL A 7 14.149 1.399 0.231 1.00 21.20 C ATOM 86 CG1 VAL A 7 15.541 1.905 0.633 1.00 23.44 C ATOM 87 CG2 VAL A 7 13.276 2.628 -0.080 1.00 12.22 C ATOM 0 H VAL A 7 15.783 -0.329 0.144 1.00 4.52 H new ATOM 0 HA VAL A 7 13.109 -0.071 -0.867 1.00 3.41 H new ATOM 0 HB VAL A 7 13.732 0.847 1.073 1.00 21.20 H new ATOM 0 HG11 VAL A 7 15.443 2.657 1.416 1.00 23.44 H new ATOM 0 HG12 VAL A 7 16.138 1.072 1.003 1.00 23.44 H new ATOM 0 HG13 VAL A 7 16.032 2.346 -0.234 1.00 23.44 H new ATOM 0 HG21 VAL A 7 13.343 3.339 0.743 1.00 12.22 H new ATOM 0 HG22 VAL A 7 13.627 3.101 -0.997 1.00 12.22 H new ATOM 0 HG23 VAL A 7 12.239 2.315 -0.206 1.00 12.22 H new ATOM 97 N GLU A 8 13.980 -0.090 -3.256 1.00 63.43 N ATOM 98 CA GLU A 8 13.895 0.197 -4.672 1.00 71.42 C ATOM 99 C GLU A 8 12.623 0.997 -4.929 1.00 44.52 C ATOM 100 O GLU A 8 11.575 0.714 -4.345 1.00 53.53 O ATOM 101 CB GLU A 8 13.838 -1.133 -5.437 1.00 15.51 C ATOM 102 CG GLU A 8 15.207 -1.745 -5.732 1.00 40.42 C ATOM 103 CD GLU A 8 16.025 -0.797 -6.602 1.00 43.32 C ATOM 104 OE1 GLU A 8 15.696 -0.641 -7.793 1.00 75.44 O ATOM 105 OE2 GLU A 8 16.907 -0.091 -6.051 1.00 51.35 O ATOM 0 H GLU A 8 13.748 -1.058 -3.032 1.00 63.43 H new ATOM 0 HA GLU A 8 14.760 0.771 -5.004 1.00 71.42 H new ATOM 0 HB2 GLU A 8 13.250 -1.847 -4.859 1.00 15.51 H new ATOM 0 HB3 GLU A 8 13.312 -0.975 -6.379 1.00 15.51 H new ATOM 0 HG2 GLU A 8 15.735 -1.943 -4.799 1.00 40.42 H new ATOM 0 HG3 GLU A 8 15.085 -2.703 -6.238 1.00 40.42 H new ATOM 112 N ILE A 9 12.698 1.980 -5.822 1.00 54.35 N ATOM 113 CA ILE A 9 11.531 2.678 -6.345 1.00 71.04 C ATOM 114 C ILE A 9 10.693 1.708 -7.209 1.00 21.13 C ATOM 115 O ILE A 9 9.526 1.494 -6.862 1.00 52.51 O ATOM 116 CB ILE A 9 11.960 3.995 -7.042 1.00 34.32 C ATOM 117 CG1 ILE A 9 12.274 5.130 -6.039 1.00 24.44 C ATOM 118 CG2 ILE A 9 10.854 4.556 -7.938 1.00 2.12 C ATOM 119 CD1 ILE A 9 13.470 4.886 -5.122 1.00 41.25 C ATOM 0 H ILE A 9 13.581 2.317 -6.206 1.00 54.35 H new ATOM 0 HA ILE A 9 10.868 2.997 -5.541 1.00 71.04 H new ATOM 0 HB ILE A 9 12.846 3.716 -7.612 1.00 34.32 H new ATOM 0 HG12 ILE A 9 12.450 6.048 -6.600 1.00 24.44 H new ATOM 0 HG13 ILE A 9 11.393 5.298 -5.420 1.00 24.44 H new ATOM 0 HG21 ILE A 9 11.198 5.478 -8.406 1.00 2.12 H new ATOM 0 HG22 ILE A 9 10.607 3.828 -8.710 1.00 2.12 H new ATOM 0 HG23 ILE A 9 9.968 4.762 -7.337 1.00 2.12 H new ATOM 0 HD11 ILE A 9 13.602 5.742 -4.460 1.00 41.25 H new ATOM 0 HD12 ILE A 9 13.295 3.990 -4.526 1.00 41.25 H new ATOM 0 HD13 ILE A 9 14.369 4.752 -5.724 1.00 41.25 H new ATOM 131 N PRO A 10 11.222 1.070 -8.277 1.00 35.43 N ATOM 132 CA PRO A 10 10.404 0.248 -9.171 1.00 60.01 C ATOM 133 C PRO A 10 9.882 -1.020 -8.496 1.00 14.54 C ATOM 134 O PRO A 10 8.893 -1.600 -8.938 1.00 54.31 O ATOM 135 CB PRO A 10 11.307 -0.114 -10.351 1.00 42.15 C ATOM 136 CG PRO A 10 12.708 -0.060 -9.755 1.00 73.33 C ATOM 137 CD PRO A 10 12.600 1.084 -8.753 1.00 71.04 C ATOM 0 HA PRO A 10 9.517 0.802 -9.479 1.00 60.01 H new ATOM 0 HB2 PRO A 10 11.076 -1.104 -10.745 1.00 42.15 H new ATOM 0 HB3 PRO A 10 11.194 0.591 -11.175 1.00 42.15 H new ATOM 0 HG2 PRO A 10 12.979 -0.998 -9.271 1.00 73.33 H new ATOM 0 HG3 PRO A 10 13.464 0.137 -10.515 1.00 73.33 H new ATOM 0 HD2 PRO A 10 13.299 0.948 -7.928 1.00 71.04 H new ATOM 0 HD3 PRO A 10 12.842 2.038 -9.222 1.00 71.04 H new ATOM 145 N GLN A 11 10.491 -1.462 -7.396 1.00 12.51 N ATOM 146 CA GLN A 11 9.999 -2.633 -6.695 1.00 24.13 C ATOM 147 C GLN A 11 8.655 -2.372 -6.003 1.00 1.51 C ATOM 148 O GLN A 11 8.052 -3.326 -5.520 1.00 2.23 O ATOM 149 CB GLN A 11 11.077 -3.146 -5.741 1.00 53.54 C ATOM 150 CG GLN A 11 11.015 -4.658 -5.494 1.00 15.33 C ATOM 151 CD GLN A 11 12.239 -5.359 -6.076 1.00 22.33 C ATOM 152 OE1 GLN A 11 13.030 -5.950 -5.344 1.00 74.24 O ATOM 153 NE2 GLN A 11 12.432 -5.321 -7.384 1.00 73.23 N ATOM 0 H GLN A 11 11.315 -1.029 -6.980 1.00 12.51 H new ATOM 0 HA GLN A 11 9.793 -3.419 -7.421 1.00 24.13 H new ATOM 0 HB2 GLN A 11 12.057 -2.893 -6.145 1.00 53.54 H new ATOM 0 HB3 GLN A 11 10.982 -2.627 -4.787 1.00 53.54 H new ATOM 0 HG2 GLN A 11 10.955 -4.853 -4.423 1.00 15.33 H new ATOM 0 HG3 GLN A 11 10.110 -5.066 -5.943 1.00 15.33 H new ATOM 0 HE21 GLN A 11 11.770 -4.828 -7.983 1.00 73.23 H new ATOM 0 HE22 GLN A 11 13.243 -5.785 -7.794 1.00 73.23 H new ATOM 162 N LEU A 12 8.134 -1.139 -5.981 1.00 51.45 N ATOM 163 CA LEU A 12 6.792 -0.876 -5.473 1.00 24.41 C ATOM 164 C LEU A 12 5.702 -1.433 -6.398 1.00 43.54 C ATOM 165 O LEU A 12 4.757 -2.023 -5.892 1.00 72.44 O ATOM 166 CB LEU A 12 6.598 0.637 -5.256 1.00 71.03 C ATOM 167 CG LEU A 12 5.242 1.003 -4.615 1.00 52.13 C ATOM 168 CD1 LEU A 12 5.156 0.582 -3.143 1.00 72.13 C ATOM 169 CD2 LEU A 12 4.981 2.508 -4.691 1.00 20.40 C ATOM 0 H LEU A 12 8.627 -0.309 -6.311 1.00 51.45 H new ATOM 0 HA LEU A 12 6.694 -1.393 -4.518 1.00 24.41 H new ATOM 0 HB2 LEU A 12 7.402 1.010 -4.622 1.00 71.03 H new ATOM 0 HB3 LEU A 12 6.686 1.147 -6.215 1.00 71.03 H new ATOM 0 HG LEU A 12 4.490 0.458 -5.186 1.00 52.13 H new ATOM 0 HD11 LEU A 12 4.183 0.863 -2.741 1.00 72.13 H new ATOM 0 HD12 LEU A 12 5.283 -0.498 -3.065 1.00 72.13 H new ATOM 0 HD13 LEU A 12 5.941 1.081 -2.575 1.00 72.13 H new ATOM 0 HD21 LEU A 12 4.019 2.734 -4.232 1.00 20.40 H new ATOM 0 HD22 LEU A 12 5.770 3.041 -4.161 1.00 20.40 H new ATOM 0 HD23 LEU A 12 4.968 2.823 -5.734 1.00 20.40 H new ATOM 181 N VAL A 13 5.797 -1.263 -7.720 1.00 12.23 N ATOM 182 CA VAL A 13 4.681 -1.398 -8.679 1.00 63.21 C ATOM 183 C VAL A 13 4.151 -2.843 -8.890 1.00 22.12 C ATOM 184 O VAL A 13 3.261 -3.122 -9.695 1.00 73.32 O ATOM 185 CB VAL A 13 5.027 -0.599 -9.957 1.00 61.03 C ATOM 186 CG1 VAL A 13 6.451 -0.809 -10.451 1.00 15.20 C ATOM 187 CG2 VAL A 13 4.106 -0.875 -11.132 1.00 23.00 C ATOM 0 H VAL A 13 6.678 -1.020 -8.173 1.00 12.23 H new ATOM 0 HA VAL A 13 3.790 -0.948 -8.241 1.00 63.21 H new ATOM 0 HB VAL A 13 4.897 0.430 -9.622 1.00 61.03 H new ATOM 0 HG11 VAL A 13 6.615 -0.215 -11.350 1.00 15.20 H new ATOM 0 HG12 VAL A 13 7.154 -0.499 -9.678 1.00 15.20 H new ATOM 0 HG13 VAL A 13 6.605 -1.864 -10.680 1.00 15.20 H new ATOM 0 HG21 VAL A 13 4.417 -0.275 -11.987 1.00 23.00 H new ATOM 0 HG22 VAL A 13 4.156 -1.932 -11.393 1.00 23.00 H new ATOM 0 HG23 VAL A 13 3.083 -0.616 -10.861 1.00 23.00 H new ATOM 197 N GLY A 14 4.675 -3.806 -8.150 1.00 32.14 N ATOM 198 CA GLY A 14 4.086 -5.135 -8.069 1.00 21.40 C ATOM 199 C GLY A 14 2.759 -5.181 -7.328 1.00 52.22 C ATOM 200 O GLY A 14 2.212 -4.167 -6.894 1.00 23.52 O ATOM 0 H GLY A 14 5.519 -3.690 -7.589 1.00 32.14 H new ATOM 0 HA2 GLY A 14 3.940 -5.518 -9.079 1.00 21.40 H new ATOM 0 HA3 GLY A 14 4.790 -5.803 -7.573 1.00 21.40 H new ATOM 204 N LYS A 15 2.246 -6.402 -7.177 1.00 72.22 N ATOM 205 CA LYS A 15 1.047 -6.686 -6.392 1.00 44.24 C ATOM 206 C LYS A 15 1.433 -6.914 -4.941 1.00 54.15 C ATOM 207 O LYS A 15 2.486 -7.494 -4.657 1.00 5.21 O ATOM 208 CB LYS A 15 0.393 -7.966 -6.899 1.00 14.04 C ATOM 209 CG LYS A 15 -0.163 -7.829 -8.313 1.00 64.24 C ATOM 210 CD LYS A 15 -0.093 -9.164 -9.066 1.00 44.45 C ATOM 211 CE LYS A 15 1.285 -9.324 -9.722 1.00 52.53 C ATOM 212 NZ LYS A 15 1.235 -10.277 -10.846 1.00 43.12 N ATOM 0 H LYS A 15 2.658 -7.232 -7.603 1.00 72.22 H new ATOM 0 HA LYS A 15 0.362 -5.843 -6.483 1.00 44.24 H new ATOM 0 HB2 LYS A 15 1.124 -8.774 -6.878 1.00 14.04 H new ATOM 0 HB3 LYS A 15 -0.414 -8.248 -6.223 1.00 14.04 H new ATOM 0 HG2 LYS A 15 -1.197 -7.487 -8.269 1.00 64.24 H new ATOM 0 HG3 LYS A 15 0.401 -7.071 -8.857 1.00 64.24 H new ATOM 0 HD2 LYS A 15 -0.275 -9.989 -8.378 1.00 44.45 H new ATOM 0 HD3 LYS A 15 -0.874 -9.204 -9.826 1.00 44.45 H new ATOM 0 HE2 LYS A 15 1.635 -8.355 -10.079 1.00 52.53 H new ATOM 0 HE3 LYS A 15 2.005 -9.670 -8.981 1.00 52.53 H new ATOM 0 HZ1 LYS A 15 2.181 -10.364 -11.269 1.00 43.12 H new ATOM 0 HZ2 LYS A 15 0.924 -11.207 -10.499 1.00 43.12 H new ATOM 0 HZ3 LYS A 15 0.565 -9.933 -11.563 1.00 43.12 H new ATOM 226 N TRP A 16 0.554 -6.514 -4.028 1.00 30.41 N ATOM 227 CA TRP A 16 0.799 -6.595 -2.603 1.00 51.11 C ATOM 228 C TRP A 16 -0.517 -6.891 -1.894 1.00 62.13 C ATOM 229 O TRP A 16 -1.418 -6.050 -1.919 1.00 71.24 O ATOM 230 CB TRP A 16 1.415 -5.271 -2.159 1.00 11.11 C ATOM 231 CG TRP A 16 2.739 -4.945 -2.742 1.00 42.44 C ATOM 232 CD1 TRP A 16 2.948 -4.268 -3.887 1.00 62.12 C ATOM 233 CD2 TRP A 16 4.053 -5.285 -2.232 1.00 34.52 C ATOM 234 NE1 TRP A 16 4.295 -4.108 -4.089 1.00 64.15 N ATOM 235 CE2 TRP A 16 5.027 -4.746 -3.115 1.00 1.32 C ATOM 236 CE3 TRP A 16 4.514 -5.992 -1.106 1.00 2.30 C ATOM 237 CZ2 TRP A 16 6.395 -4.900 -2.888 1.00 10.32 C ATOM 238 CZ3 TRP A 16 5.885 -6.132 -0.849 1.00 61.21 C ATOM 239 CH2 TRP A 16 6.826 -5.584 -1.740 1.00 74.12 C ATOM 0 H TRP A 16 -0.357 -6.121 -4.265 1.00 30.41 H new ATOM 0 HA TRP A 16 1.492 -7.398 -2.352 1.00 51.11 H new ATOM 0 HB2 TRP A 16 0.722 -4.468 -2.409 1.00 11.11 H new ATOM 0 HB3 TRP A 16 1.511 -5.283 -1.073 1.00 11.11 H new ATOM 0 HD1 TRP A 16 2.173 -3.906 -4.546 1.00 62.12 H new ATOM 0 HE1 TRP A 16 4.702 -3.583 -4.863 1.00 64.15 H new ATOM 0 HE3 TRP A 16 3.799 -6.434 -0.428 1.00 2.30 H new ATOM 0 HZ2 TRP A 16 7.114 -4.498 -3.587 1.00 10.32 H new ATOM 0 HZ3 TRP A 16 6.219 -6.660 0.032 1.00 61.21 H new ATOM 0 HH2 TRP A 16 7.882 -5.690 -1.540 1.00 74.12 H new ATOM 250 N ILE A 17 -0.673 -8.075 -1.288 1.00 50.41 N ATOM 251 CA ILE A 17 -1.875 -8.405 -0.539 1.00 23.52 C ATOM 252 C ILE A 17 -1.653 -7.912 0.888 1.00 2.13 C ATOM 253 O ILE A 17 -0.601 -8.167 1.476 1.00 73.52 O ATOM 254 CB ILE A 17 -2.199 -9.912 -0.649 1.00 51.31 C ATOM 255 CG1 ILE A 17 -3.711 -10.094 -0.434 1.00 1.10 C ATOM 256 CG2 ILE A 17 -1.356 -10.800 0.278 1.00 65.14 C ATOM 257 CD1 ILE A 17 -4.207 -11.516 -0.679 1.00 41.34 C ATOM 0 H ILE A 17 0.026 -8.818 -1.307 1.00 50.41 H new ATOM 0 HA ILE A 17 -2.759 -7.912 -0.944 1.00 23.52 H new ATOM 0 HB ILE A 17 -1.924 -10.253 -1.647 1.00 51.31 H new ATOM 0 HG12 ILE A 17 -3.960 -9.805 0.587 1.00 1.10 H new ATOM 0 HG13 ILE A 17 -4.246 -9.414 -1.097 1.00 1.10 H new ATOM 0 HG21 ILE A 17 -1.642 -11.843 0.142 1.00 65.14 H new ATOM 0 HG22 ILE A 17 -0.300 -10.679 0.036 1.00 65.14 H new ATOM 0 HG23 ILE A 17 -1.526 -10.509 1.315 1.00 65.14 H new ATOM 0 HD11 ILE A 17 -5.282 -11.561 -0.507 1.00 41.34 H new ATOM 0 HD12 ILE A 17 -3.992 -11.804 -1.708 1.00 41.34 H new ATOM 0 HD13 ILE A 17 -3.701 -12.200 0.002 1.00 41.34 H new ATOM 269 N VAL A 18 -2.618 -7.206 1.463 1.00 51.33 N ATOM 270 CA VAL A 18 -2.581 -6.687 2.838 1.00 14.30 C ATOM 271 C VAL A 18 -2.671 -7.837 3.851 1.00 10.44 C ATOM 272 O VAL A 18 -2.618 -7.605 5.052 1.00 2.41 O ATOM 273 CB VAL A 18 -3.798 -5.725 2.991 1.00 64.13 C ATOM 274 CG1 VAL A 18 -4.008 -5.097 4.375 1.00 22.34 C ATOM 275 CG2 VAL A 18 -3.724 -4.552 2.000 1.00 10.30 C ATOM 0 H VAL A 18 -3.481 -6.967 0.974 1.00 51.33 H new ATOM 0 HA VAL A 18 -1.645 -6.162 3.030 1.00 14.30 H new ATOM 0 HB VAL A 18 -4.635 -6.396 2.798 1.00 64.13 H new ATOM 0 HG11 VAL A 18 -4.885 -4.450 4.352 1.00 22.34 H new ATOM 0 HG12 VAL A 18 -4.158 -5.885 5.113 1.00 22.34 H new ATOM 0 HG13 VAL A 18 -3.130 -4.510 4.645 1.00 22.34 H new ATOM 0 HG21 VAL A 18 -4.590 -3.904 2.138 1.00 10.30 H new ATOM 0 HG22 VAL A 18 -2.812 -3.982 2.178 1.00 10.30 H new ATOM 0 HG23 VAL A 18 -3.718 -4.937 0.980 1.00 10.30 H new ATOM 285 N LYS A 19 -2.880 -9.066 3.373 1.00 2.03 N ATOM 286 CA LYS A 19 -3.456 -10.177 4.118 1.00 21.21 C ATOM 287 C LYS A 19 -2.400 -10.858 4.993 1.00 64.35 C ATOM 288 O LYS A 19 -2.156 -12.058 4.869 1.00 62.21 O ATOM 289 CB LYS A 19 -4.183 -11.143 3.154 1.00 41.43 C ATOM 290 CG LYS A 19 -5.111 -12.099 3.907 1.00 21.13 C ATOM 291 CD LYS A 19 -5.960 -13.049 3.045 1.00 65.23 C ATOM 292 CE LYS A 19 -5.383 -14.458 2.879 1.00 25.53 C ATOM 293 NZ LYS A 19 -4.344 -14.561 1.839 1.00 44.03 N ATOM 0 H LYS A 19 -2.641 -9.320 2.415 1.00 2.03 H new ATOM 0 HA LYS A 19 -4.210 -9.801 4.809 1.00 21.21 H new ATOM 0 HB2 LYS A 19 -4.761 -10.569 2.430 1.00 41.43 H new ATOM 0 HB3 LYS A 19 -3.448 -11.717 2.591 1.00 41.43 H new ATOM 0 HG2 LYS A 19 -4.505 -12.701 4.583 1.00 21.13 H new ATOM 0 HG3 LYS A 19 -5.784 -11.505 4.525 1.00 21.13 H new ATOM 0 HD2 LYS A 19 -6.953 -13.129 3.488 1.00 65.23 H new ATOM 0 HD3 LYS A 19 -6.086 -12.605 2.058 1.00 65.23 H new ATOM 0 HE2 LYS A 19 -4.963 -14.782 3.831 1.00 25.53 H new ATOM 0 HE3 LYS A 19 -6.194 -15.146 2.638 1.00 25.53 H new ATOM 0 HZ1 LYS A 19 -4.002 -15.542 1.785 1.00 44.03 H new ATOM 0 HZ2 LYS A 19 -4.744 -14.283 0.920 1.00 44.03 H new ATOM 0 HZ3 LYS A 19 -3.551 -13.931 2.077 1.00 44.03 H new ATOM 307 N GLU A 20 -1.745 -10.073 5.837 1.00 24.13 N ATOM 308 CA GLU A 20 -0.699 -10.476 6.760 1.00 12.40 C ATOM 309 C GLU A 20 -0.327 -9.239 7.602 1.00 73.44 C ATOM 310 O GLU A 20 0.319 -8.318 7.094 1.00 62.21 O ATOM 311 CB GLU A 20 0.489 -11.082 5.989 1.00 31.43 C ATOM 312 CG GLU A 20 0.614 -12.595 6.231 1.00 21.41 C ATOM 313 CD GLU A 20 1.595 -12.928 7.356 1.00 22.14 C ATOM 314 OE1 GLU A 20 1.274 -12.705 8.544 1.00 54.45 O ATOM 315 OE2 GLU A 20 2.674 -13.484 7.046 1.00 3.12 O ATOM 0 H GLU A 20 -1.945 -9.075 5.897 1.00 24.13 H new ATOM 0 HA GLU A 20 -1.034 -11.263 7.436 1.00 12.40 H new ATOM 0 HB2 GLU A 20 0.365 -10.893 4.923 1.00 31.43 H new ATOM 0 HB3 GLU A 20 1.411 -10.588 6.295 1.00 31.43 H new ATOM 0 HG2 GLU A 20 -0.367 -13.003 6.476 1.00 21.41 H new ATOM 0 HG3 GLU A 20 0.941 -13.081 5.312 1.00 21.41 H new ATOM 322 N PRO A 21 -0.780 -9.154 8.863 1.00 43.25 N ATOM 323 CA PRO A 21 -1.878 -9.936 9.415 1.00 53.04 C ATOM 324 C PRO A 21 -3.208 -9.580 8.731 1.00 62.52 C ATOM 325 O PRO A 21 -3.330 -8.540 8.075 1.00 25.52 O ATOM 326 CB PRO A 21 -1.901 -9.579 10.895 1.00 74.51 C ATOM 327 CG PRO A 21 -1.305 -8.177 10.964 1.00 73.55 C ATOM 328 CD PRO A 21 -0.271 -8.217 9.849 1.00 22.54 C ATOM 0 HA PRO A 21 -1.743 -11.006 9.257 1.00 53.04 H new ATOM 0 HB2 PRO A 21 -2.916 -9.598 11.291 1.00 74.51 H new ATOM 0 HB3 PRO A 21 -1.317 -10.287 11.482 1.00 74.51 H new ATOM 0 HG2 PRO A 21 -2.057 -7.406 10.796 1.00 73.55 H new ATOM 0 HG3 PRO A 21 -0.851 -7.974 11.934 1.00 73.55 H new ATOM 0 HD2 PRO A 21 -0.131 -7.229 9.412 1.00 22.54 H new ATOM 0 HD3 PRO A 21 0.699 -8.538 10.228 1.00 22.54 H new ATOM 336 N VAL A 22 -4.223 -10.429 8.889 1.00 72.11 N ATOM 337 CA VAL A 22 -5.542 -10.249 8.294 1.00 12.24 C ATOM 338 C VAL A 22 -6.593 -9.996 9.373 1.00 45.14 C ATOM 339 O VAL A 22 -6.552 -10.559 10.467 1.00 10.32 O ATOM 340 CB VAL A 22 -5.853 -11.419 7.348 1.00 73.53 C ATOM 341 CG1 VAL A 22 -5.684 -12.810 7.952 1.00 70.51 C ATOM 342 CG2 VAL A 22 -7.240 -11.319 6.694 1.00 42.43 C ATOM 0 H VAL A 22 -4.147 -11.279 9.447 1.00 72.11 H new ATOM 0 HA VAL A 22 -5.559 -9.353 7.673 1.00 12.24 H new ATOM 0 HB VAL A 22 -5.084 -11.308 6.583 1.00 73.53 H new ATOM 0 HG11 VAL A 22 -5.928 -13.564 7.203 1.00 70.51 H new ATOM 0 HG12 VAL A 22 -4.652 -12.942 8.278 1.00 70.51 H new ATOM 0 HG13 VAL A 22 -6.351 -12.919 8.807 1.00 70.51 H new ATOM 0 HG21 VAL A 22 -7.396 -12.176 6.039 1.00 42.43 H new ATOM 0 HG22 VAL A 22 -8.007 -11.310 7.468 1.00 42.43 H new ATOM 0 HG23 VAL A 22 -7.302 -10.400 6.111 1.00 42.43 H new ATOM 352 N LEU A 23 -7.540 -9.126 9.030 1.00 65.12 N ATOM 353 CA LEU A 23 -8.635 -8.665 9.864 1.00 41.04 C ATOM 354 C LEU A 23 -9.739 -9.721 9.961 1.00 23.34 C ATOM 355 O LEU A 23 -9.722 -10.751 9.281 1.00 4.41 O ATOM 356 CB LEU A 23 -9.178 -7.357 9.254 1.00 14.12 C ATOM 357 CG LEU A 23 -8.224 -6.152 9.361 1.00 50.15 C ATOM 358 CD1 LEU A 23 -8.836 -4.947 8.639 1.00 45.02 C ATOM 359 CD2 LEU A 23 -7.892 -5.770 10.808 1.00 42.02 C ATOM 0 H LEU A 23 -7.560 -8.701 8.103 1.00 65.12 H new ATOM 0 HA LEU A 23 -8.278 -8.487 10.878 1.00 41.04 H new ATOM 0 HB2 LEU A 23 -9.406 -7.530 8.202 1.00 14.12 H new ATOM 0 HB3 LEU A 23 -10.117 -7.105 9.747 1.00 14.12 H new ATOM 0 HG LEU A 23 -7.287 -6.448 8.890 1.00 50.15 H new ATOM 0 HD11 LEU A 23 -8.160 -4.095 8.715 1.00 45.02 H new ATOM 0 HD12 LEU A 23 -8.992 -5.193 7.589 1.00 45.02 H new ATOM 0 HD13 LEU A 23 -9.792 -4.694 9.099 1.00 45.02 H new ATOM 0 HD21 LEU A 23 -7.216 -4.915 10.813 1.00 42.02 H new ATOM 0 HD22 LEU A 23 -8.810 -5.510 11.335 1.00 42.02 H new ATOM 0 HD23 LEU A 23 -7.413 -6.613 11.306 1.00 42.02 H new ATOM 371 N GLN A 24 -10.703 -9.458 10.835 1.00 51.14 N ATOM 372 CA GLN A 24 -11.992 -10.133 10.908 1.00 22.42 C ATOM 373 C GLN A 24 -12.921 -9.520 9.854 1.00 3.13 C ATOM 374 O GLN A 24 -12.507 -8.673 9.056 1.00 61.51 O ATOM 375 CB GLN A 24 -12.547 -9.988 12.342 1.00 61.22 C ATOM 376 CG GLN A 24 -11.984 -11.061 13.282 1.00 62.15 C ATOM 377 CD GLN A 24 -12.794 -12.348 13.254 1.00 3.00 C ATOM 378 OE1 GLN A 24 -12.284 -13.406 12.900 1.00 62.24 O ATOM 379 NE2 GLN A 24 -14.061 -12.318 13.627 1.00 51.42 N ATOM 0 H GLN A 24 -10.602 -8.734 11.546 1.00 51.14 H new ATOM 0 HA GLN A 24 -11.902 -11.198 10.696 1.00 22.42 H new ATOM 0 HB2 GLN A 24 -12.300 -9.000 12.729 1.00 61.22 H new ATOM 0 HB3 GLN A 24 -13.634 -10.059 12.320 1.00 61.22 H new ATOM 0 HG2 GLN A 24 -10.953 -11.279 13.002 1.00 62.15 H new ATOM 0 HG3 GLN A 24 -11.963 -10.672 14.300 1.00 62.15 H new ATOM 0 HE21 GLN A 24 -14.485 -11.438 13.921 1.00 51.42 H new ATOM 0 HE22 GLN A 24 -14.615 -13.174 13.621 1.00 51.42 H new ATOM 388 N ASP A 25 -14.182 -9.958 9.834 1.00 53.25 N ATOM 389 CA ASP A 25 -15.203 -9.596 8.841 1.00 5.33 C ATOM 390 C ASP A 25 -14.807 -10.058 7.432 1.00 43.35 C ATOM 391 O ASP A 25 -15.294 -9.544 6.430 1.00 3.41 O ATOM 392 CB ASP A 25 -15.479 -8.087 8.905 1.00 65.14 C ATOM 393 CG ASP A 25 -16.909 -7.682 8.548 1.00 2.21 C ATOM 394 OD1 ASP A 25 -17.856 -8.484 8.722 1.00 50.45 O ATOM 395 OD2 ASP A 25 -17.134 -6.478 8.289 1.00 25.10 O ATOM 0 H ASP A 25 -14.538 -10.603 10.539 1.00 53.25 H new ATOM 0 HA ASP A 25 -16.129 -10.118 9.081 1.00 5.33 H new ATOM 0 HB2 ASP A 25 -15.257 -7.733 9.912 1.00 65.14 H new ATOM 0 HB3 ASP A 25 -14.792 -7.577 8.229 1.00 65.14 H new ATOM 400 N ASP A 26 -13.862 -11.000 7.390 1.00 65.42 N ATOM 401 CA ASP A 26 -13.164 -11.568 6.237 1.00 14.44 C ATOM 402 C ASP A 26 -12.590 -10.484 5.313 1.00 54.24 C ATOM 403 O ASP A 26 -12.497 -10.689 4.099 1.00 74.55 O ATOM 404 CB ASP A 26 -14.035 -12.600 5.496 1.00 52.05 C ATOM 405 CG ASP A 26 -14.426 -13.790 6.365 1.00 71.15 C ATOM 406 OD1 ASP A 26 -13.522 -14.550 6.795 1.00 21.22 O ATOM 407 OD2 ASP A 26 -15.639 -13.985 6.613 1.00 14.12 O ATOM 0 H ASP A 26 -13.533 -11.428 8.256 1.00 65.42 H new ATOM 0 HA ASP A 26 -12.301 -12.115 6.617 1.00 14.44 H new ATOM 0 HB2 ASP A 26 -14.939 -12.110 5.134 1.00 52.05 H new ATOM 0 HB3 ASP A 26 -13.495 -12.960 4.620 1.00 52.05 H new ATOM 412 N PHE A 27 -12.205 -9.327 5.870 1.00 3.20 N ATOM 413 CA PHE A 27 -11.670 -8.221 5.129 1.00 62.23 C ATOM 414 C PHE A 27 -10.325 -8.604 4.535 1.00 50.13 C ATOM 415 O PHE A 27 -9.357 -8.883 5.247 1.00 54.41 O ATOM 416 CB PHE A 27 -11.524 -6.930 5.960 1.00 14.33 C ATOM 417 CG PHE A 27 -12.707 -5.985 6.065 1.00 33.30 C ATOM 418 CD1 PHE A 27 -14.009 -6.364 5.669 1.00 61.25 C ATOM 419 CD2 PHE A 27 -12.477 -4.680 6.555 1.00 72.12 C ATOM 420 CE1 PHE A 27 -15.061 -5.435 5.760 1.00 42.12 C ATOM 421 CE2 PHE A 27 -13.539 -3.762 6.651 1.00 70.23 C ATOM 422 CZ PHE A 27 -14.835 -4.137 6.255 1.00 30.40 C ATOM 0 H PHE A 27 -12.266 -9.150 6.873 1.00 3.20 H new ATOM 0 HA PHE A 27 -12.390 -8.001 4.341 1.00 62.23 H new ATOM 0 HB2 PHE A 27 -11.244 -7.220 6.973 1.00 14.33 H new ATOM 0 HB3 PHE A 27 -10.688 -6.366 5.547 1.00 14.33 H new ATOM 0 HD1 PHE A 27 -14.195 -7.361 5.299 1.00 61.25 H new ATOM 0 HD2 PHE A 27 -11.483 -4.386 6.857 1.00 72.12 H new ATOM 0 HE1 PHE A 27 -16.054 -5.721 5.446 1.00 42.12 H new ATOM 0 HE2 PHE A 27 -13.358 -2.767 7.030 1.00 70.23 H new ATOM 0 HZ PHE A 27 -15.651 -3.434 6.330 1.00 30.40 H new ATOM 432 N VAL A 28 -10.259 -8.504 3.218 1.00 24.13 N ATOM 433 CA VAL A 28 -9.111 -8.838 2.402 1.00 73.34 C ATOM 434 C VAL A 28 -8.941 -7.813 1.277 1.00 42.25 C ATOM 435 O VAL A 28 -9.914 -7.363 0.659 1.00 43.33 O ATOM 436 CB VAL A 28 -9.247 -10.274 1.854 1.00 34.23 C ATOM 437 CG1 VAL A 28 -9.079 -11.318 2.969 1.00 72.34 C ATOM 438 CG2 VAL A 28 -10.550 -10.555 1.093 1.00 34.24 C ATOM 0 H VAL A 28 -11.047 -8.170 2.664 1.00 24.13 H new ATOM 0 HA VAL A 28 -8.211 -8.802 3.016 1.00 73.34 H new ATOM 0 HB VAL A 28 -8.438 -10.359 1.128 1.00 34.23 H new ATOM 0 HG11 VAL A 28 -9.181 -12.319 2.549 1.00 72.34 H new ATOM 0 HG12 VAL A 28 -8.093 -11.212 3.421 1.00 72.34 H new ATOM 0 HG13 VAL A 28 -9.845 -11.164 3.730 1.00 72.34 H new ATOM 0 HG21 VAL A 28 -10.554 -11.589 0.747 1.00 34.24 H new ATOM 0 HG22 VAL A 28 -11.400 -10.391 1.755 1.00 34.24 H new ATOM 0 HG23 VAL A 28 -10.623 -9.885 0.236 1.00 34.24 H new ATOM 448 N THR A 29 -7.681 -7.476 0.992 1.00 14.04 N ATOM 449 CA THR A 29 -7.326 -6.397 0.088 1.00 11.21 C ATOM 450 C THR A 29 -6.018 -6.720 -0.617 1.00 21.20 C ATOM 451 O THR A 29 -5.086 -7.245 0.000 1.00 22.21 O ATOM 452 CB THR A 29 -7.145 -5.113 0.914 1.00 42.43 C ATOM 453 OG1 THR A 29 -8.306 -4.815 1.653 1.00 52.43 O ATOM 454 CG2 THR A 29 -6.753 -3.908 0.050 1.00 22.22 C ATOM 0 H THR A 29 -6.874 -7.955 1.391 1.00 14.04 H new ATOM 0 HA THR A 29 -8.111 -6.268 -0.657 1.00 11.21 H new ATOM 0 HB THR A 29 -6.323 -5.307 1.603 1.00 42.43 H new ATOM 0 HG1 THR A 29 -9.004 -4.487 1.048 1.00 52.43 H new ATOM 0 HG21 THR A 29 -6.638 -3.028 0.683 1.00 22.22 H new ATOM 0 HG22 THR A 29 -5.811 -4.115 -0.458 1.00 22.22 H new ATOM 0 HG23 THR A 29 -7.531 -3.723 -0.691 1.00 22.22 H new ATOM 462 N CYS A 30 -5.891 -6.286 -1.870 1.00 30.50 N ATOM 463 CA CYS A 30 -4.628 -6.155 -2.571 1.00 23.32 C ATOM 464 C CYS A 30 -4.484 -4.716 -3.056 1.00 34.52 C ATOM 465 O CYS A 30 -5.377 -4.197 -3.726 1.00 55.43 O ATOM 466 CB CYS A 30 -4.528 -7.201 -3.689 1.00 70.32 C ATOM 467 SG CYS A 30 -2.985 -6.974 -4.630 1.00 71.24 S ATOM 0 H CYS A 30 -6.692 -6.009 -2.437 1.00 30.50 H new ATOM 0 HA CYS A 30 -3.788 -6.357 -1.906 1.00 23.32 H new ATOM 0 HB2 CYS A 30 -4.558 -8.204 -3.262 1.00 70.32 H new ATOM 0 HB3 CYS A 30 -5.385 -7.113 -4.356 1.00 70.32 H new ATOM 0 HG CYS A 30 -2.514 -5.782 -4.410 1.00 71.24 H new ATOM 473 N TYR A 31 -3.359 -4.081 -2.719 1.00 23.21 N ATOM 474 CA TYR A 31 -2.898 -2.870 -3.383 1.00 1.04 C ATOM 475 C TYR A 31 -2.167 -3.302 -4.657 1.00 55.32 C ATOM 476 O TYR A 31 -1.406 -4.277 -4.652 1.00 43.35 O ATOM 477 CB TYR A 31 -1.946 -2.067 -2.474 1.00 41.33 C ATOM 478 CG TYR A 31 -2.613 -1.264 -1.365 1.00 62.21 C ATOM 479 CD1 TYR A 31 -3.052 -1.928 -0.205 1.00 22.13 C ATOM 480 CD2 TYR A 31 -2.778 0.137 -1.463 1.00 24.31 C ATOM 481 CE1 TYR A 31 -3.688 -1.214 0.828 1.00 42.02 C ATOM 482 CE2 TYR A 31 -3.418 0.850 -0.435 1.00 23.42 C ATOM 483 CZ TYR A 31 -3.890 0.178 0.716 1.00 55.22 C ATOM 484 OH TYR A 31 -4.522 0.834 1.729 1.00 61.42 O ATOM 0 H TYR A 31 -2.742 -4.399 -1.972 1.00 23.21 H new ATOM 0 HA TYR A 31 -3.745 -2.224 -3.615 1.00 1.04 H new ATOM 0 HB2 TYR A 31 -1.237 -2.759 -2.020 1.00 41.33 H new ATOM 0 HB3 TYR A 31 -1.370 -1.383 -3.097 1.00 41.33 H new ATOM 0 HD1 TYR A 31 -2.900 -2.993 -0.106 1.00 22.13 H new ATOM 0 HD2 TYR A 31 -2.410 0.662 -2.332 1.00 24.31 H new ATOM 0 HE1 TYR A 31 -4.024 -1.735 1.712 1.00 42.02 H new ATOM 0 HE2 TYR A 31 -3.550 1.918 -0.525 1.00 23.42 H new ATOM 0 HH TYR A 31 -4.878 1.684 1.396 1.00 61.42 H new ATOM 494 N THR A 32 -2.354 -2.566 -5.746 1.00 41.15 N ATOM 495 CA THR A 32 -1.538 -2.672 -6.944 1.00 22.51 C ATOM 496 C THR A 32 -1.235 -1.250 -7.420 1.00 34.24 C ATOM 497 O THR A 32 -2.063 -0.601 -8.068 1.00 34.33 O ATOM 498 CB THR A 32 -2.251 -3.505 -8.014 1.00 34.22 C ATOM 499 OG1 THR A 32 -2.775 -4.702 -7.460 1.00 42.22 O ATOM 500 CG2 THR A 32 -1.255 -3.905 -9.105 1.00 13.11 C ATOM 0 H THR A 32 -3.092 -1.866 -5.820 1.00 41.15 H new ATOM 0 HA THR A 32 -0.602 -3.190 -6.735 1.00 22.51 H new ATOM 0 HB THR A 32 -3.060 -2.898 -8.421 1.00 34.22 H new ATOM 0 HG1 THR A 32 -3.227 -5.217 -8.161 1.00 42.22 H new ATOM 0 HG21 THR A 32 -1.766 -4.497 -9.864 1.00 13.11 H new ATOM 0 HG22 THR A 32 -0.838 -3.008 -9.564 1.00 13.11 H new ATOM 0 HG23 THR A 32 -0.451 -4.495 -8.665 1.00 13.11 H new ATOM 508 N PHE A 33 -0.057 -0.743 -7.061 1.00 14.22 N ATOM 509 CA PHE A 33 0.386 0.575 -7.500 1.00 72.54 C ATOM 510 C PHE A 33 0.758 0.486 -8.985 1.00 33.51 C ATOM 511 O PHE A 33 0.937 -0.613 -9.516 1.00 42.42 O ATOM 512 CB PHE A 33 1.571 1.030 -6.631 1.00 52.25 C ATOM 513 CG PHE A 33 1.366 0.757 -5.149 1.00 33.54 C ATOM 514 CD1 PHE A 33 0.543 1.596 -4.374 1.00 1.11 C ATOM 515 CD2 PHE A 33 1.903 -0.410 -4.571 1.00 20.53 C ATOM 516 CE1 PHE A 33 0.263 1.270 -3.035 1.00 23.13 C ATOM 517 CE2 PHE A 33 1.643 -0.724 -3.227 1.00 4.22 C ATOM 518 CZ PHE A 33 0.829 0.122 -2.453 1.00 52.02 C ATOM 0 H PHE A 33 0.610 -1.230 -6.463 1.00 14.22 H new ATOM 0 HA PHE A 33 -0.404 1.317 -7.386 1.00 72.54 H new ATOM 0 HB2 PHE A 33 2.475 0.522 -6.966 1.00 52.25 H new ATOM 0 HB3 PHE A 33 1.732 2.098 -6.778 1.00 52.25 H new ATOM 0 HD1 PHE A 33 0.126 2.492 -4.809 1.00 1.11 H new ATOM 0 HD2 PHE A 33 2.519 -1.068 -5.166 1.00 20.53 H new ATOM 0 HE1 PHE A 33 -0.389 1.903 -2.452 1.00 23.13 H new ATOM 0 HE2 PHE A 33 2.068 -1.615 -2.788 1.00 4.22 H new ATOM 0 HZ PHE A 33 0.639 -0.109 -1.415 1.00 52.02 H new ATOM 528 N ASN A 34 0.931 1.626 -9.652 1.00 61.24 N ATOM 529 CA ASN A 34 1.569 1.706 -10.967 1.00 32.20 C ATOM 530 C ASN A 34 2.943 2.333 -10.820 1.00 1.50 C ATOM 531 O ASN A 34 3.259 2.909 -9.777 1.00 72.41 O ATOM 532 CB ASN A 34 0.722 2.483 -11.982 1.00 0.14 C ATOM 533 CG ASN A 34 -0.311 1.572 -12.625 1.00 35.12 C ATOM 534 OD1 ASN A 34 -0.142 1.182 -13.779 1.00 0.54 O ATOM 535 ND2 ASN A 34 -1.344 1.174 -11.898 1.00 60.14 N ATOM 0 H ASN A 34 0.629 2.531 -9.291 1.00 61.24 H new ATOM 0 HA ASN A 34 1.666 0.693 -11.357 1.00 32.20 H new ATOM 0 HB2 ASN A 34 0.222 3.315 -11.486 1.00 0.14 H new ATOM 0 HB3 ASN A 34 1.366 2.910 -12.750 1.00 0.14 H new ATOM 0 HD21 ASN A 34 -2.026 0.526 -12.293 1.00 60.14 H new ATOM 0 HD22 ASN A 34 -1.457 1.515 -10.943 1.00 60.14 H new ATOM 542 N ALA A 35 3.744 2.243 -11.882 1.00 61.44 N ATOM 543 CA ALA A 35 5.149 2.614 -11.855 1.00 64.05 C ATOM 544 C ALA A 35 5.311 4.099 -11.557 1.00 13.32 C ATOM 545 O ALA A 35 6.207 4.451 -10.791 1.00 15.51 O ATOM 546 CB ALA A 35 5.800 2.231 -13.186 1.00 34.00 C ATOM 0 H ALA A 35 3.427 1.907 -12.791 1.00 61.44 H new ATOM 0 HA ALA A 35 5.652 2.071 -11.054 1.00 64.05 H new ATOM 0 HB1 ALA A 35 6.854 2.508 -13.169 1.00 34.00 H new ATOM 0 HB2 ALA A 35 5.710 1.156 -13.339 1.00 34.00 H new ATOM 0 HB3 ALA A 35 5.300 2.756 -14.000 1.00 34.00 H new ATOM 552 N ASP A 36 4.422 4.942 -12.108 1.00 55.41 N ATOM 553 CA ASP A 36 4.473 6.393 -11.899 1.00 3.53 C ATOM 554 C ASP A 36 3.169 7.066 -12.370 1.00 41.22 C ATOM 555 O ASP A 36 3.188 8.009 -13.162 1.00 0.22 O ATOM 556 CB ASP A 36 5.738 6.990 -12.543 1.00 43.35 C ATOM 557 CG ASP A 36 6.275 8.175 -11.735 1.00 40.13 C ATOM 558 OD1 ASP A 36 5.509 9.112 -11.428 1.00 63.43 O ATOM 559 OD2 ASP A 36 7.491 8.202 -11.448 1.00 21.20 O ATOM 0 H ASP A 36 3.654 4.637 -12.706 1.00 55.41 H new ATOM 0 HA ASP A 36 4.546 6.596 -10.831 1.00 3.53 H new ATOM 0 HB2 ASP A 36 6.507 6.221 -12.617 1.00 43.35 H new ATOM 0 HB3 ASP A 36 5.512 7.314 -13.559 1.00 43.35 H new ATOM 564 N LYS A 37 1.999 6.531 -11.984 1.00 61.22 N ATOM 565 CA LYS A 37 0.710 6.991 -12.494 1.00 11.52 C ATOM 566 C LYS A 37 -0.375 7.001 -11.408 1.00 62.30 C ATOM 567 O LYS A 37 -0.856 8.052 -11.004 1.00 43.30 O ATOM 568 CB LYS A 37 0.380 6.116 -13.692 1.00 33.33 C ATOM 569 CG LYS A 37 -0.810 6.668 -14.474 1.00 60.14 C ATOM 570 CD LYS A 37 -1.143 5.667 -15.578 1.00 60.21 C ATOM 571 CE LYS A 37 -1.121 6.269 -16.991 1.00 52.12 C ATOM 572 NZ LYS A 37 0.249 6.552 -17.461 1.00 40.10 N ATOM 0 H LYS A 37 1.927 5.769 -11.310 1.00 61.22 H new ATOM 0 HA LYS A 37 0.759 8.033 -12.810 1.00 11.52 H new ATOM 0 HB2 LYS A 37 1.249 6.050 -14.347 1.00 33.33 H new ATOM 0 HB3 LYS A 37 0.158 5.104 -13.355 1.00 33.33 H new ATOM 0 HG2 LYS A 37 -1.667 6.811 -13.816 1.00 60.14 H new ATOM 0 HG3 LYS A 37 -0.569 7.642 -14.900 1.00 60.14 H new ATOM 0 HD2 LYS A 37 -0.432 4.842 -15.534 1.00 60.21 H new ATOM 0 HD3 LYS A 37 -2.131 5.247 -15.388 1.00 60.21 H new ATOM 0 HE2 LYS A 37 -1.605 5.581 -17.684 1.00 52.12 H new ATOM 0 HE3 LYS A 37 -1.703 7.191 -16.999 1.00 52.12 H new ATOM 0 HZ1 LYS A 37 0.211 6.957 -18.418 1.00 40.10 H new ATOM 0 HZ2 LYS A 37 0.704 7.230 -16.817 1.00 40.10 H new ATOM 0 HZ3 LYS A 37 0.799 5.669 -17.480 1.00 40.10 H new ATOM 586 N THR A 38 -0.780 5.822 -10.954 1.00 4.00 N ATOM 587 CA THR A 38 -2.073 5.535 -10.341 1.00 60.23 C ATOM 588 C THR A 38 -1.898 4.401 -9.332 1.00 34.10 C ATOM 589 O THR A 38 -0.823 3.797 -9.236 1.00 60.55 O ATOM 590 CB THR A 38 -3.069 5.119 -11.453 1.00 51.01 C ATOM 591 OG1 THR A 38 -2.397 4.434 -12.505 1.00 21.13 O ATOM 592 CG2 THR A 38 -3.810 6.332 -12.012 1.00 35.54 C ATOM 0 H THR A 38 -0.185 4.995 -11.006 1.00 4.00 H new ATOM 0 HA THR A 38 -2.459 6.414 -9.826 1.00 60.23 H new ATOM 0 HB THR A 38 -3.799 4.445 -11.004 1.00 51.01 H new ATOM 0 HG1 THR A 38 -3.044 4.179 -13.195 1.00 21.13 H new ATOM 0 HG21 THR A 38 -4.502 6.009 -12.790 1.00 35.54 H new ATOM 0 HG22 THR A 38 -4.366 6.819 -11.211 1.00 35.54 H new ATOM 0 HG23 THR A 38 -3.091 7.035 -12.434 1.00 35.54 H new ATOM 600 N TYR A 39 -2.953 4.079 -8.590 1.00 74.51 N ATOM 601 CA TYR A 39 -3.000 2.936 -7.695 1.00 2.34 C ATOM 602 C TYR A 39 -4.371 2.272 -7.783 1.00 14.14 C ATOM 603 O TYR A 39 -5.317 2.896 -8.265 1.00 24.50 O ATOM 604 CB TYR A 39 -2.649 3.412 -6.279 1.00 1.32 C ATOM 605 CG TYR A 39 -3.796 3.922 -5.427 1.00 41.45 C ATOM 606 CD1 TYR A 39 -4.117 5.291 -5.455 1.00 34.21 C ATOM 607 CD2 TYR A 39 -4.427 3.074 -4.495 1.00 14.14 C ATOM 608 CE1 TYR A 39 -5.041 5.818 -4.535 1.00 23.34 C ATOM 609 CE2 TYR A 39 -5.333 3.605 -3.558 1.00 14.23 C ATOM 610 CZ TYR A 39 -5.639 4.986 -3.562 1.00 4.44 C ATOM 611 OH TYR A 39 -6.453 5.530 -2.613 1.00 53.03 O ATOM 0 H TYR A 39 -3.817 4.621 -8.597 1.00 74.51 H new ATOM 0 HA TYR A 39 -2.270 2.178 -7.980 1.00 2.34 H new ATOM 0 HB2 TYR A 39 -2.174 2.586 -5.750 1.00 1.32 H new ATOM 0 HB3 TYR A 39 -1.907 4.206 -6.361 1.00 1.32 H new ATOM 0 HD1 TYR A 39 -3.653 5.939 -6.184 1.00 34.21 H new ATOM 0 HD2 TYR A 39 -4.215 2.015 -4.500 1.00 14.14 H new ATOM 0 HE1 TYR A 39 -5.296 6.867 -4.572 1.00 23.34 H new ATOM 0 HE2 TYR A 39 -5.797 2.954 -2.832 1.00 14.23 H new ATOM 0 HH TYR A 39 -7.352 5.650 -2.983 1.00 53.03 H new ATOM 621 N GLU A 40 -4.491 1.036 -7.301 1.00 22.50 N ATOM 622 CA GLU A 40 -5.757 0.346 -7.081 1.00 55.01 C ATOM 623 C GLU A 40 -5.752 -0.217 -5.665 1.00 22.20 C ATOM 624 O GLU A 40 -4.694 -0.604 -5.156 1.00 2.30 O ATOM 625 CB GLU A 40 -5.975 -0.793 -8.094 1.00 4.13 C ATOM 626 CG GLU A 40 -6.266 -0.274 -9.505 1.00 53.34 C ATOM 627 CD GLU A 40 -6.848 -1.352 -10.426 1.00 55.31 C ATOM 628 OE1 GLU A 40 -8.047 -1.682 -10.302 1.00 74.35 O ATOM 629 OE2 GLU A 40 -6.110 -1.861 -11.312 1.00 35.40 O ATOM 0 H GLU A 40 -3.682 0.470 -7.045 1.00 22.50 H new ATOM 0 HA GLU A 40 -6.572 1.057 -7.216 1.00 55.01 H new ATOM 0 HB2 GLU A 40 -5.089 -1.427 -8.119 1.00 4.13 H new ATOM 0 HB3 GLU A 40 -6.804 -1.417 -7.761 1.00 4.13 H new ATOM 0 HG2 GLU A 40 -6.964 0.561 -9.443 1.00 53.34 H new ATOM 0 HG3 GLU A 40 -5.345 0.113 -9.942 1.00 53.34 H new ATOM 636 N VAL A 41 -6.920 -0.276 -5.035 1.00 22.43 N ATOM 637 CA VAL A 41 -7.129 -0.950 -3.764 1.00 2.22 C ATOM 638 C VAL A 41 -8.577 -1.436 -3.740 1.00 40.45 C ATOM 639 O VAL A 41 -9.414 -0.960 -4.510 1.00 43.03 O ATOM 640 CB VAL A 41 -6.762 0.000 -2.599 1.00 35.41 C ATOM 641 CG1 VAL A 41 -7.747 1.158 -2.416 1.00 20.23 C ATOM 642 CG2 VAL A 41 -6.616 -0.738 -1.265 1.00 51.44 C ATOM 0 H VAL A 41 -7.767 0.155 -5.405 1.00 22.43 H new ATOM 0 HA VAL A 41 -6.481 -1.818 -3.643 1.00 2.22 H new ATOM 0 HB VAL A 41 -5.798 0.417 -2.891 1.00 35.41 H new ATOM 0 HG11 VAL A 41 -7.425 1.781 -1.582 1.00 20.23 H new ATOM 0 HG12 VAL A 41 -7.777 1.757 -3.326 1.00 20.23 H new ATOM 0 HG13 VAL A 41 -8.741 0.761 -2.210 1.00 20.23 H new ATOM 0 HG21 VAL A 41 -6.358 -0.026 -0.481 1.00 51.44 H new ATOM 0 HG22 VAL A 41 -7.557 -1.227 -1.015 1.00 51.44 H new ATOM 0 HG23 VAL A 41 -5.828 -1.487 -1.348 1.00 51.44 H new ATOM 652 N TYR A 42 -8.906 -2.349 -2.833 1.00 11.02 N ATOM 653 CA TYR A 42 -10.270 -2.764 -2.590 1.00 2.04 C ATOM 654 C TYR A 42 -10.362 -3.193 -1.129 1.00 75.22 C ATOM 655 O TYR A 42 -9.583 -4.041 -0.709 1.00 1.40 O ATOM 656 CB TYR A 42 -10.605 -3.904 -3.569 1.00 73.43 C ATOM 657 CG TYR A 42 -11.939 -4.543 -3.292 1.00 0.02 C ATOM 658 CD1 TYR A 42 -12.083 -5.348 -2.154 1.00 62.53 C ATOM 659 CD2 TYR A 42 -13.058 -4.206 -4.072 1.00 72.25 C ATOM 660 CE1 TYR A 42 -13.371 -5.676 -1.706 1.00 33.11 C ATOM 661 CE2 TYR A 42 -14.351 -4.552 -3.651 1.00 21.11 C ATOM 662 CZ TYR A 42 -14.509 -5.245 -2.434 1.00 54.32 C ATOM 663 OH TYR A 42 -15.755 -5.458 -1.944 1.00 21.20 O ATOM 0 H TYR A 42 -8.222 -2.823 -2.243 1.00 11.02 H new ATOM 0 HA TYR A 42 -10.993 -1.966 -2.757 1.00 2.04 H new ATOM 0 HB2 TYR A 42 -10.599 -3.515 -4.587 1.00 73.43 H new ATOM 0 HB3 TYR A 42 -9.826 -4.664 -3.514 1.00 73.43 H new ATOM 0 HD1 TYR A 42 -11.213 -5.712 -1.628 1.00 62.53 H new ATOM 0 HD2 TYR A 42 -12.922 -3.676 -5.003 1.00 72.25 H new ATOM 0 HE1 TYR A 42 -13.496 -6.258 -0.805 1.00 33.11 H new ATOM 0 HE2 TYR A 42 -15.211 -4.291 -4.250 1.00 21.11 H new ATOM 0 HH TYR A 42 -16.119 -6.285 -2.324 1.00 21.20 H new ATOM 673 N THR A 43 -11.347 -2.716 -0.378 1.00 52.01 N ATOM 674 CA THR A 43 -11.598 -3.215 0.973 1.00 62.34 C ATOM 675 C THR A 43 -13.102 -3.245 1.187 1.00 21.22 C ATOM 676 O THR A 43 -13.829 -2.324 0.794 1.00 1.14 O ATOM 677 CB THR A 43 -10.893 -2.360 2.043 1.00 63.15 C ATOM 678 OG1 THR A 43 -9.576 -2.043 1.642 1.00 43.22 O ATOM 679 CG2 THR A 43 -10.818 -3.071 3.403 1.00 12.32 C ATOM 0 H THR A 43 -11.988 -1.982 -0.681 1.00 52.01 H new ATOM 0 HA THR A 43 -11.185 -4.219 1.075 1.00 62.34 H new ATOM 0 HB THR A 43 -11.490 -1.454 2.149 1.00 63.15 H new ATOM 0 HG1 THR A 43 -9.145 -1.499 2.334 1.00 43.22 H new ATOM 0 HG21 THR A 43 -10.312 -2.427 4.123 1.00 12.32 H new ATOM 0 HG22 THR A 43 -11.826 -3.288 3.756 1.00 12.32 H new ATOM 0 HG23 THR A 43 -10.262 -4.003 3.296 1.00 12.32 H new ATOM 687 N GLY A 44 -13.551 -4.318 1.822 1.00 31.51 N ATOM 688 CA GLY A 44 -14.932 -4.648 2.096 1.00 10.31 C ATOM 689 C GLY A 44 -15.067 -6.127 1.832 1.00 41.43 C ATOM 690 O GLY A 44 -14.539 -6.963 2.569 1.00 52.01 O ATOM 0 H GLY A 44 -12.911 -5.026 2.182 1.00 31.51 H new ATOM 0 HA2 GLY A 44 -15.193 -4.411 3.127 1.00 10.31 H new ATOM 0 HA3 GLY A 44 -15.604 -4.075 1.457 1.00 10.31 H new ATOM 694 N SER A 45 -15.697 -6.415 0.715 1.00 45.14 N ATOM 695 CA SER A 45 -16.171 -7.704 0.278 1.00 42.34 C ATOM 696 C SER A 45 -16.895 -8.476 1.381 1.00 62.25 C ATOM 697 O SER A 45 -16.373 -9.494 1.832 1.00 13.02 O ATOM 698 CB SER A 45 -15.097 -8.488 -0.501 1.00 25.32 C ATOM 699 OG SER A 45 -13.923 -8.747 0.260 1.00 72.33 O ATOM 0 H SER A 45 -15.908 -5.688 0.032 1.00 45.14 H new ATOM 0 HA SER A 45 -16.955 -7.534 -0.460 1.00 42.34 H new ATOM 0 HB2 SER A 45 -15.520 -9.435 -0.836 1.00 25.32 H new ATOM 0 HB3 SER A 45 -14.825 -7.927 -1.395 1.00 25.32 H new ATOM 0 HG SER A 45 -14.019 -8.355 1.153 1.00 72.33 H new ATOM 705 N PRO A 46 -18.096 -8.026 1.788 1.00 2.02 N ATOM 706 CA PRO A 46 -19.003 -8.829 2.600 1.00 30.21 C ATOM 707 C PRO A 46 -19.796 -9.858 1.769 1.00 1.04 C ATOM 708 O PRO A 46 -20.452 -10.719 2.354 1.00 11.10 O ATOM 709 CB PRO A 46 -19.953 -7.802 3.228 1.00 12.12 C ATOM 710 CG PRO A 46 -20.056 -6.717 2.154 1.00 61.21 C ATOM 711 CD PRO A 46 -18.655 -6.699 1.548 1.00 65.12 C ATOM 0 HA PRO A 46 -18.456 -9.421 3.334 1.00 30.21 H new ATOM 0 HB2 PRO A 46 -20.926 -8.239 3.453 1.00 12.12 H new ATOM 0 HB3 PRO A 46 -19.557 -7.406 4.163 1.00 12.12 H new ATOM 0 HG2 PRO A 46 -20.815 -6.957 1.409 1.00 61.21 H new ATOM 0 HG3 PRO A 46 -20.323 -5.750 2.581 1.00 61.21 H new ATOM 0 HD2 PRO A 46 -18.694 -6.479 0.481 1.00 65.12 H new ATOM 0 HD3 PRO A 46 -18.040 -5.927 2.010 1.00 65.12 H new ATOM 719 N LEU A 47 -19.793 -9.745 0.427 1.00 13.22 N ATOM 720 CA LEU A 47 -20.589 -10.594 -0.471 1.00 13.22 C ATOM 721 C LEU A 47 -19.970 -10.786 -1.860 1.00 34.21 C ATOM 722 O LEU A 47 -20.185 -11.833 -2.473 1.00 2.14 O ATOM 723 CB LEU A 47 -22.001 -9.997 -0.652 1.00 44.25 C ATOM 724 CG LEU A 47 -23.004 -10.411 0.440 1.00 61.33 C ATOM 725 CD1 LEU A 47 -24.341 -9.718 0.195 1.00 11.20 C ATOM 726 CD2 LEU A 47 -23.245 -11.922 0.439 1.00 63.53 C ATOM 0 H LEU A 47 -19.230 -9.052 -0.067 1.00 13.22 H new ATOM 0 HA LEU A 47 -20.625 -11.572 0.010 1.00 13.22 H new ATOM 0 HB2 LEU A 47 -21.925 -8.910 -0.667 1.00 44.25 H new ATOM 0 HB3 LEU A 47 -22.391 -10.302 -1.623 1.00 44.25 H new ATOM 0 HG LEU A 47 -22.582 -10.119 1.402 1.00 61.33 H new ATOM 0 HD11 LEU A 47 -25.050 -10.012 0.969 1.00 11.20 H new ATOM 0 HD12 LEU A 47 -24.201 -8.637 0.222 1.00 11.20 H new ATOM 0 HD13 LEU A 47 -24.728 -10.009 -0.782 1.00 11.20 H new ATOM 0 HD21 LEU A 47 -23.958 -12.177 1.223 1.00 63.53 H new ATOM 0 HD22 LEU A 47 -23.645 -12.226 -0.528 1.00 63.53 H new ATOM 0 HD23 LEU A 47 -22.304 -12.441 0.622 1.00 63.53 H new ATOM 738 N SER A 48 -19.246 -9.799 -2.390 1.00 54.34 N ATOM 739 CA SER A 48 -18.539 -9.870 -3.664 1.00 70.21 C ATOM 740 C SER A 48 -17.445 -8.813 -3.680 1.00 43.01 C ATOM 741 O SER A 48 -17.390 -7.944 -2.809 1.00 22.10 O ATOM 742 CB SER A 48 -19.507 -9.641 -4.839 1.00 4.20 C ATOM 743 OG SER A 48 -20.055 -10.856 -5.311 1.00 25.10 O ATOM 0 H SER A 48 -19.134 -8.898 -1.926 1.00 54.34 H new ATOM 0 HA SER A 48 -18.101 -10.862 -3.775 1.00 70.21 H new ATOM 0 HB2 SER A 48 -20.312 -8.977 -4.523 1.00 4.20 H new ATOM 0 HB3 SER A 48 -18.981 -9.140 -5.651 1.00 4.20 H new ATOM 0 HG SER A 48 -20.227 -11.453 -4.553 1.00 25.10 H new ATOM 749 N ASN A 49 -16.591 -8.880 -4.698 1.00 41.13 N ATOM 750 CA ASN A 49 -15.550 -7.919 -5.011 1.00 21.51 C ATOM 751 C ASN A 49 -15.591 -7.741 -6.529 1.00 61.13 C ATOM 752 O ASN A 49 -15.489 -8.712 -7.272 1.00 70.53 O ATOM 753 CB ASN A 49 -14.182 -8.402 -4.493 1.00 72.22 C ATOM 754 CG ASN A 49 -13.622 -9.595 -5.261 1.00 5.41 C ATOM 755 OD1 ASN A 49 -12.728 -9.428 -6.079 1.00 24.20 O ATOM 756 ND2 ASN A 49 -14.117 -10.800 -5.026 1.00 12.13 N ATOM 0 H ASN A 49 -16.613 -9.654 -5.362 1.00 41.13 H new ATOM 0 HA ASN A 49 -15.710 -6.960 -4.519 1.00 21.51 H new ATOM 0 HB2 ASN A 49 -13.470 -7.578 -4.550 1.00 72.22 H new ATOM 0 HB3 ASN A 49 -14.276 -8.670 -3.441 1.00 72.22 H new ATOM 0 HD21 ASN A 49 -13.753 -11.608 -5.531 1.00 12.13 H new ATOM 0 HD22 ASN A 49 -14.862 -10.920 -4.340 1.00 12.13 H new ATOM 763 N GLY A 50 -15.872 -6.523 -6.986 1.00 43.01 N ATOM 764 CA GLY A 50 -16.035 -6.207 -8.404 1.00 53.21 C ATOM 765 C GLY A 50 -16.073 -4.716 -8.715 1.00 22.11 C ATOM 766 O GLY A 50 -16.122 -4.318 -9.874 1.00 74.41 O ATOM 0 H GLY A 50 -15.995 -5.716 -6.374 1.00 43.01 H new ATOM 0 HA2 GLY A 50 -15.216 -6.662 -8.962 1.00 53.21 H new ATOM 0 HA3 GLY A 50 -16.957 -6.664 -8.762 1.00 53.21 H new ATOM 770 N VAL A 51 -16.079 -3.888 -7.679 1.00 54.33 N ATOM 771 CA VAL A 51 -16.027 -2.435 -7.729 1.00 22.40 C ATOM 772 C VAL A 51 -14.732 -2.039 -7.011 1.00 23.31 C ATOM 773 O VAL A 51 -14.737 -1.902 -5.785 1.00 54.31 O ATOM 774 CB VAL A 51 -17.317 -1.805 -7.164 1.00 75.41 C ATOM 775 CG1 VAL A 51 -17.243 -0.271 -7.164 1.00 73.54 C ATOM 776 CG2 VAL A 51 -18.536 -2.220 -8.010 1.00 31.53 C ATOM 0 H VAL A 51 -16.123 -4.236 -6.721 1.00 54.33 H new ATOM 0 HA VAL A 51 -15.995 -2.046 -8.747 1.00 22.40 H new ATOM 0 HB VAL A 51 -17.421 -2.164 -6.140 1.00 75.41 H new ATOM 0 HG11 VAL A 51 -18.169 0.138 -6.759 1.00 73.54 H new ATOM 0 HG12 VAL A 51 -16.404 0.053 -6.548 1.00 73.54 H new ATOM 0 HG13 VAL A 51 -17.104 0.087 -8.184 1.00 73.54 H new ATOM 0 HG21 VAL A 51 -19.437 -1.766 -7.597 1.00 31.53 H new ATOM 0 HG22 VAL A 51 -18.398 -1.882 -9.037 1.00 31.53 H new ATOM 0 HG23 VAL A 51 -18.637 -3.305 -7.995 1.00 31.53 H new ATOM 786 N PRO A 52 -13.590 -2.003 -7.720 1.00 0.20 N ATOM 787 CA PRO A 52 -12.329 -1.569 -7.137 1.00 61.14 C ATOM 788 C PRO A 52 -12.376 -0.072 -6.828 1.00 32.53 C ATOM 789 O PRO A 52 -13.222 0.670 -7.344 1.00 1.44 O ATOM 790 CB PRO A 52 -11.272 -1.905 -8.191 1.00 41.24 C ATOM 791 CG PRO A 52 -12.030 -1.739 -9.506 1.00 33.22 C ATOM 792 CD PRO A 52 -13.437 -2.217 -9.155 1.00 73.51 C ATOM 0 HA PRO A 52 -12.109 -2.061 -6.190 1.00 61.14 H new ATOM 0 HB2 PRO A 52 -10.416 -1.233 -8.132 1.00 41.24 H new ATOM 0 HB3 PRO A 52 -10.891 -2.919 -8.071 1.00 41.24 H new ATOM 0 HG2 PRO A 52 -12.029 -0.703 -9.844 1.00 33.22 H new ATOM 0 HG3 PRO A 52 -11.589 -2.336 -10.304 1.00 33.22 H new ATOM 0 HD2 PRO A 52 -14.189 -1.660 -9.715 1.00 73.51 H new ATOM 0 HD3 PRO A 52 -13.566 -3.269 -9.408 1.00 73.51 H new ATOM 800 N PHE A 53 -11.420 0.383 -6.029 1.00 33.31 N ATOM 801 CA PHE A 53 -11.046 1.777 -5.946 1.00 11.21 C ATOM 802 C PHE A 53 -9.811 1.980 -6.816 1.00 1.41 C ATOM 803 O PHE A 53 -8.953 1.097 -6.877 1.00 63.41 O ATOM 804 CB PHE A 53 -10.721 2.126 -4.492 1.00 31.12 C ATOM 805 CG PHE A 53 -10.523 3.609 -4.327 1.00 43.24 C ATOM 806 CD1 PHE A 53 -9.253 4.193 -4.505 1.00 72.50 C ATOM 807 CD2 PHE A 53 -11.653 4.420 -4.141 1.00 75.11 C ATOM 808 CE1 PHE A 53 -9.136 5.588 -4.587 1.00 21.12 C ATOM 809 CE2 PHE A 53 -11.536 5.811 -4.208 1.00 13.15 C ATOM 810 CZ PHE A 53 -10.286 6.383 -4.480 1.00 55.13 C ATOM 0 H PHE A 53 -10.877 -0.222 -5.412 1.00 33.31 H new ATOM 0 HA PHE A 53 -11.858 2.418 -6.288 1.00 11.21 H new ATOM 0 HB2 PHE A 53 -11.529 1.789 -3.843 1.00 31.12 H new ATOM 0 HB3 PHE A 53 -9.820 1.598 -4.180 1.00 31.12 H new ATOM 0 HD1 PHE A 53 -8.374 3.569 -4.578 1.00 72.50 H new ATOM 0 HD2 PHE A 53 -12.614 3.969 -3.946 1.00 75.11 H new ATOM 0 HE1 PHE A 53 -8.169 6.046 -4.731 1.00 21.12 H new ATOM 0 HE2 PHE A 53 -12.401 6.439 -4.052 1.00 13.15 H new ATOM 0 HZ PHE A 53 -10.207 7.452 -4.609 1.00 55.13 H new ATOM 820 N ARG A 54 -9.666 3.163 -7.417 1.00 24.42 N ATOM 821 CA ARG A 54 -8.408 3.607 -7.993 1.00 41.02 C ATOM 822 C ARG A 54 -8.255 5.108 -7.786 1.00 34.12 C ATOM 823 O ARG A 54 -9.253 5.835 -7.792 1.00 52.23 O ATOM 824 CB ARG A 54 -8.331 3.198 -9.471 1.00 52.02 C ATOM 825 CG ARG A 54 -9.400 3.862 -10.342 1.00 34.23 C ATOM 826 CD ARG A 54 -9.260 3.395 -11.784 1.00 11.41 C ATOM 827 NE ARG A 54 -10.019 4.249 -12.707 1.00 63.12 N ATOM 828 CZ ARG A 54 -10.983 3.893 -13.554 1.00 75.31 C ATOM 829 NH1 ARG A 54 -11.417 2.640 -13.610 1.00 0.30 N ATOM 830 NH2 ARG A 54 -11.495 4.810 -14.365 1.00 24.14 N ATOM 0 H ARG A 54 -10.425 3.838 -7.515 1.00 24.42 H new ATOM 0 HA ARG A 54 -7.571 3.123 -7.490 1.00 41.02 H new ATOM 0 HB2 ARG A 54 -7.345 3.454 -9.860 1.00 52.02 H new ATOM 0 HB3 ARG A 54 -8.432 2.115 -9.546 1.00 52.02 H new ATOM 0 HG2 ARG A 54 -10.393 3.615 -9.966 1.00 34.23 H new ATOM 0 HG3 ARG A 54 -9.301 4.946 -10.291 1.00 34.23 H new ATOM 0 HD2 ARG A 54 -8.207 3.398 -12.067 1.00 11.41 H new ATOM 0 HD3 ARG A 54 -9.610 2.366 -11.869 1.00 11.41 H new ATOM 0 HE ARG A 54 -9.777 5.240 -12.698 1.00 63.12 H new ATOM 0 HH11 ARG A 54 -11.011 1.932 -12.998 1.00 0.30 H new ATOM 0 HH12 ARG A 54 -12.156 2.385 -14.265 1.00 0.30 H new ATOM 0 HH21 ARG A 54 -11.150 5.769 -14.333 1.00 24.14 H new ATOM 0 HH22 ARG A 54 -12.234 4.556 -15.020 1.00 24.14 H new ATOM 844 N GLY A 55 -7.024 5.580 -7.656 1.00 42.03 N ATOM 845 CA GLY A 55 -6.686 6.974 -7.440 1.00 0.32 C ATOM 846 C GLY A 55 -5.251 7.233 -7.859 1.00 74.20 C ATOM 847 O GLY A 55 -4.624 6.402 -8.522 1.00 71.10 O ATOM 0 H GLY A 55 -6.203 4.976 -7.700 1.00 42.03 H new ATOM 0 HA2 GLY A 55 -7.361 7.613 -8.010 1.00 0.32 H new ATOM 0 HA3 GLY A 55 -6.818 7.230 -6.389 1.00 0.32 H new ATOM 851 N THR A 56 -4.723 8.371 -7.438 1.00 1.23 N ATOM 852 CA THR A 56 -3.361 8.810 -7.682 1.00 14.01 C ATOM 853 C THR A 56 -2.562 8.698 -6.377 1.00 23.44 C ATOM 854 O THR A 56 -3.122 8.539 -5.288 1.00 71.10 O ATOM 855 CB THR A 56 -3.402 10.237 -8.272 1.00 62.11 C ATOM 856 OG1 THR A 56 -4.392 11.041 -7.649 1.00 3.42 O ATOM 857 CG2 THR A 56 -3.739 10.195 -9.766 1.00 2.34 C ATOM 0 H THR A 56 -5.259 9.045 -6.891 1.00 1.23 H new ATOM 0 HA THR A 56 -2.852 8.181 -8.412 1.00 14.01 H new ATOM 0 HB THR A 56 -2.414 10.664 -8.101 1.00 62.11 H new ATOM 0 HG1 THR A 56 -4.385 11.936 -8.048 1.00 3.42 H new ATOM 0 HG21 THR A 56 -3.763 11.210 -10.162 1.00 2.34 H new ATOM 0 HG22 THR A 56 -2.980 9.617 -10.294 1.00 2.34 H new ATOM 0 HG23 THR A 56 -4.714 9.728 -9.906 1.00 2.34 H new ATOM 865 N TYR A 57 -1.235 8.741 -6.473 1.00 24.23 N ATOM 866 CA TYR A 57 -0.338 8.645 -5.334 1.00 32.35 C ATOM 867 C TYR A 57 0.727 9.721 -5.409 1.00 51.02 C ATOM 868 O TYR A 57 1.042 10.220 -6.491 1.00 55.44 O ATOM 869 CB TYR A 57 0.288 7.257 -5.291 1.00 41.02 C ATOM 870 CG TYR A 57 1.268 6.892 -6.383 1.00 43.00 C ATOM 871 CD1 TYR A 57 2.612 7.299 -6.257 1.00 72.42 C ATOM 872 CD2 TYR A 57 0.897 5.994 -7.399 1.00 40.03 C ATOM 873 CE1 TYR A 57 3.594 6.775 -7.109 1.00 20.41 C ATOM 874 CE2 TYR A 57 1.881 5.448 -8.243 1.00 15.31 C ATOM 875 CZ TYR A 57 3.236 5.819 -8.079 1.00 55.22 C ATOM 876 OH TYR A 57 4.216 5.188 -8.765 1.00 0.12 O ATOM 0 H TYR A 57 -0.748 8.846 -7.363 1.00 24.23 H new ATOM 0 HA TYR A 57 -0.904 8.799 -4.415 1.00 32.35 H new ATOM 0 HB2 TYR A 57 0.798 7.149 -4.334 1.00 41.02 H new ATOM 0 HB3 TYR A 57 -0.519 6.525 -5.307 1.00 41.02 H new ATOM 0 HD1 TYR A 57 2.886 8.019 -5.500 1.00 72.42 H new ATOM 0 HD2 TYR A 57 -0.140 5.724 -7.531 1.00 40.03 H new ATOM 0 HE1 TYR A 57 4.619 7.103 -7.022 1.00 20.41 H new ATOM 0 HE2 TYR A 57 1.602 4.746 -9.015 1.00 15.31 H new ATOM 0 HH TYR A 57 3.835 4.434 -9.261 1.00 0.12 H new ATOM 886 N ILE A 58 1.315 10.006 -4.252 1.00 40.44 N ATOM 887 CA ILE A 58 2.413 10.960 -4.084 1.00 61.53 C ATOM 888 C ILE A 58 3.433 10.308 -3.148 1.00 53.01 C ATOM 889 O ILE A 58 3.053 9.631 -2.190 1.00 51.04 O ATOM 890 CB ILE A 58 1.909 12.324 -3.537 1.00 1.15 C ATOM 891 CG1 ILE A 58 0.695 12.858 -4.337 1.00 62.33 C ATOM 892 CG2 ILE A 58 3.061 13.352 -3.553 1.00 73.51 C ATOM 893 CD1 ILE A 58 0.232 14.271 -3.957 1.00 22.35 C ATOM 0 H ILE A 58 1.034 9.567 -3.375 1.00 40.44 H new ATOM 0 HA ILE A 58 2.875 11.186 -5.045 1.00 61.53 H new ATOM 0 HB ILE A 58 1.574 12.169 -2.511 1.00 1.15 H new ATOM 0 HG12 ILE A 58 0.947 12.848 -5.398 1.00 62.33 H new ATOM 0 HG13 ILE A 58 -0.140 12.171 -4.201 1.00 62.33 H new ATOM 0 HG21 ILE A 58 2.702 14.307 -3.168 1.00 73.51 H new ATOM 0 HG22 ILE A 58 3.878 12.993 -2.927 1.00 73.51 H new ATOM 0 HG23 ILE A 58 3.417 13.483 -4.575 1.00 73.51 H new ATOM 0 HD11 ILE A 58 -0.622 14.552 -4.573 1.00 22.35 H new ATOM 0 HD12 ILE A 58 -0.057 14.289 -2.906 1.00 22.35 H new ATOM 0 HD13 ILE A 58 1.046 14.977 -4.121 1.00 22.35 H new ATOM 905 N ILE A 59 4.726 10.494 -3.409 1.00 54.51 N ATOM 906 CA ILE A 59 5.825 10.066 -2.545 1.00 55.34 C ATOM 907 C ILE A 59 6.712 11.303 -2.370 1.00 34.31 C ATOM 908 O ILE A 59 6.738 12.168 -3.252 1.00 52.10 O ATOM 909 CB ILE A 59 6.615 8.875 -3.171 1.00 71.42 C ATOM 910 CG1 ILE A 59 5.699 7.847 -3.888 1.00 43.22 C ATOM 911 CG2 ILE A 59 7.478 8.191 -2.089 1.00 75.25 C ATOM 912 CD1 ILE A 59 6.374 6.549 -4.354 1.00 34.13 C ATOM 0 H ILE A 59 5.048 10.962 -4.256 1.00 54.51 H new ATOM 0 HA ILE A 59 5.461 9.698 -1.586 1.00 55.34 H new ATOM 0 HB ILE A 59 7.264 9.288 -3.944 1.00 71.42 H new ATOM 0 HG12 ILE A 59 4.883 7.586 -3.214 1.00 43.22 H new ATOM 0 HG13 ILE A 59 5.253 8.332 -4.756 1.00 43.22 H new ATOM 0 HG21 ILE A 59 8.027 7.360 -2.533 1.00 75.25 H new ATOM 0 HG22 ILE A 59 8.183 8.912 -1.676 1.00 75.25 H new ATOM 0 HG23 ILE A 59 6.834 7.816 -1.293 1.00 75.25 H new ATOM 0 HD11 ILE A 59 5.637 5.910 -4.840 1.00 34.13 H new ATOM 0 HD12 ILE A 59 7.170 6.786 -5.060 1.00 34.13 H new ATOM 0 HD13 ILE A 59 6.795 6.028 -3.494 1.00 34.13 H new ATOM 924 N SER A 60 7.489 11.391 -1.292 1.00 54.10 N ATOM 925 CA SER A 60 8.730 12.143 -1.336 1.00 1.25 C ATOM 926 C SER A 60 9.757 11.469 -0.434 1.00 42.44 C ATOM 927 O SER A 60 9.425 10.708 0.479 1.00 61.32 O ATOM 928 CB SER A 60 8.501 13.619 -0.974 1.00 51.11 C ATOM 929 OG SER A 60 9.365 14.440 -1.744 1.00 21.13 O ATOM 0 H SER A 60 7.281 10.956 -0.393 1.00 54.10 H new ATOM 0 HA SER A 60 9.121 12.143 -2.353 1.00 1.25 H new ATOM 0 HB2 SER A 60 7.462 13.892 -1.160 1.00 51.11 H new ATOM 0 HB3 SER A 60 8.686 13.776 0.089 1.00 51.11 H new ATOM 0 HG SER A 60 9.215 15.380 -1.512 1.00 21.13 H new ATOM 935 N LEU A 61 11.028 11.746 -0.724 1.00 55.10 N ATOM 936 CA LEU A 61 12.148 11.167 -0.010 1.00 22.34 C ATOM 937 C LEU A 61 12.324 11.842 1.349 1.00 15.54 C ATOM 938 O LEU A 61 12.926 11.220 2.221 1.00 40.30 O ATOM 939 CB LEU A 61 13.454 11.296 -0.819 1.00 61.33 C ATOM 940 CG LEU A 61 13.545 10.414 -2.084 1.00 14.54 C ATOM 941 CD1 LEU A 61 12.690 10.930 -3.250 1.00 60.12 C ATOM 942 CD2 LEU A 61 15.001 10.339 -2.559 1.00 72.40 C ATOM 0 H LEU A 61 11.304 12.385 -1.469 1.00 55.10 H new ATOM 0 HA LEU A 61 11.931 10.109 0.136 1.00 22.34 H new ATOM 0 HB2 LEU A 61 13.576 12.338 -1.115 1.00 61.33 H new ATOM 0 HB3 LEU A 61 14.291 11.050 -0.165 1.00 61.33 H new ATOM 0 HG LEU A 61 13.164 9.434 -1.798 1.00 14.54 H new ATOM 0 HD11 LEU A 61 12.801 10.264 -4.105 1.00 60.12 H new ATOM 0 HD12 LEU A 61 11.643 10.961 -2.948 1.00 60.12 H new ATOM 0 HD13 LEU A 61 13.018 11.932 -3.526 1.00 60.12 H new ATOM 0 HD21 LEU A 61 15.061 9.716 -3.451 1.00 72.40 H new ATOM 0 HD22 LEU A 61 15.360 11.342 -2.792 1.00 72.40 H new ATOM 0 HD23 LEU A 61 15.619 9.906 -1.772 1.00 72.40 H new ATOM 954 N ASP A 62 11.817 13.072 1.534 1.00 11.12 N ATOM 955 CA ASP A 62 12.254 14.013 2.577 1.00 54.40 C ATOM 956 C ASP A 62 12.370 13.331 3.930 1.00 35.31 C ATOM 957 O ASP A 62 13.469 13.254 4.484 1.00 42.23 O ATOM 958 CB ASP A 62 11.362 15.267 2.698 1.00 24.34 C ATOM 959 CG ASP A 62 11.328 16.149 1.460 1.00 23.21 C ATOM 960 OD1 ASP A 62 12.270 16.108 0.638 1.00 71.00 O ATOM 961 OD2 ASP A 62 10.330 16.887 1.279 1.00 35.35 O ATOM 0 H ASP A 62 11.073 13.449 0.947 1.00 11.12 H new ATOM 0 HA ASP A 62 13.239 14.353 2.257 1.00 54.40 H new ATOM 0 HB2 ASP A 62 10.345 14.951 2.929 1.00 24.34 H new ATOM 0 HB3 ASP A 62 11.710 15.863 3.542 1.00 24.34 H new ATOM 966 N GLU A 63 11.270 12.731 4.386 1.00 43.41 N ATOM 967 CA GLU A 63 11.218 11.853 5.549 1.00 22.13 C ATOM 968 C GLU A 63 10.648 10.479 5.168 1.00 21.33 C ATOM 969 O GLU A 63 10.167 9.744 6.029 1.00 15.34 O ATOM 970 CB GLU A 63 10.500 12.549 6.714 1.00 55.23 C ATOM 971 CG GLU A 63 9.012 12.796 6.451 1.00 4.05 C ATOM 972 CD GLU A 63 8.422 13.745 7.487 1.00 34.33 C ATOM 973 OE1 GLU A 63 8.161 13.302 8.627 1.00 73.50 O ATOM 974 OE2 GLU A 63 8.182 14.925 7.130 1.00 40.03 O ATOM 0 H GLU A 63 10.361 12.849 3.938 1.00 43.41 H new ATOM 0 HA GLU A 63 12.227 11.651 5.909 1.00 22.13 H new ATOM 0 HB2 GLU A 63 10.606 11.941 7.612 1.00 55.23 H new ATOM 0 HB3 GLU A 63 10.989 13.502 6.915 1.00 55.23 H new ATOM 0 HG2 GLU A 63 8.880 13.215 5.453 1.00 4.05 H new ATOM 0 HG3 GLU A 63 8.473 11.849 6.473 1.00 4.05 H new ATOM 981 N LYS A 64 10.740 10.102 3.886 1.00 74.30 N ATOM 982 CA LYS A 64 10.326 8.803 3.347 1.00 31.04 C ATOM 983 C LYS A 64 8.846 8.563 3.693 1.00 63.35 C ATOM 984 O LYS A 64 8.482 7.669 4.470 1.00 31.14 O ATOM 985 CB LYS A 64 11.320 7.725 3.834 1.00 2.12 C ATOM 986 CG LYS A 64 11.640 6.631 2.803 1.00 22.12 C ATOM 987 CD LYS A 64 12.338 5.426 3.460 1.00 75.02 C ATOM 988 CE LYS A 64 13.693 5.766 4.093 1.00 0.43 C ATOM 989 NZ LYS A 64 14.103 4.804 5.141 1.00 11.30 N ATOM 0 H LYS A 64 11.120 10.719 3.169 1.00 74.30 H new ATOM 0 HA LYS A 64 10.369 8.764 2.259 1.00 31.04 H new ATOM 0 HB2 LYS A 64 12.250 8.213 4.125 1.00 2.12 H new ATOM 0 HB3 LYS A 64 10.914 7.254 4.729 1.00 2.12 H new ATOM 0 HG2 LYS A 64 10.719 6.302 2.322 1.00 22.12 H new ATOM 0 HG3 LYS A 64 12.279 7.042 2.021 1.00 22.12 H new ATOM 0 HD2 LYS A 64 11.683 5.012 4.227 1.00 75.02 H new ATOM 0 HD3 LYS A 64 12.483 4.648 2.710 1.00 75.02 H new ATOM 0 HE2 LYS A 64 14.455 5.792 3.314 1.00 0.43 H new ATOM 0 HE3 LYS A 64 13.645 6.766 4.525 1.00 0.43 H new ATOM 0 HZ1 LYS A 64 15.025 5.087 5.530 1.00 11.30 H new ATOM 0 HZ2 LYS A 64 13.394 4.796 5.902 1.00 11.30 H new ATOM 0 HZ3 LYS A 64 14.179 3.852 4.728 1.00 11.30 H new ATOM 1003 N LEU A 65 7.998 9.418 3.125 1.00 53.23 N ATOM 1004 CA LEU A 65 6.577 9.553 3.429 1.00 63.24 C ATOM 1005 C LEU A 65 5.824 9.327 2.117 1.00 51.02 C ATOM 1006 O LEU A 65 6.333 9.659 1.037 1.00 21.15 O ATOM 1007 CB LEU A 65 6.344 10.969 4.003 1.00 75.20 C ATOM 1008 CG LEU A 65 5.160 11.189 4.965 1.00 34.34 C ATOM 1009 CD1 LEU A 65 3.795 10.886 4.353 1.00 22.54 C ATOM 1010 CD2 LEU A 65 5.331 10.409 6.267 1.00 34.53 C ATOM 0 H LEU A 65 8.301 10.070 2.401 1.00 53.23 H new ATOM 0 HA LEU A 65 6.225 8.834 4.168 1.00 63.24 H new ATOM 0 HB2 LEU A 65 7.254 11.269 4.523 1.00 75.20 H new ATOM 0 HB3 LEU A 65 6.218 11.651 3.162 1.00 75.20 H new ATOM 0 HG LEU A 65 5.178 12.257 5.181 1.00 34.34 H new ATOM 0 HD11 LEU A 65 3.016 11.066 5.094 1.00 22.54 H new ATOM 0 HD12 LEU A 65 3.631 11.532 3.491 1.00 22.54 H new ATOM 0 HD13 LEU A 65 3.761 9.843 4.037 1.00 22.54 H new ATOM 0 HD21 LEU A 65 4.475 10.592 6.916 1.00 34.53 H new ATOM 0 HD22 LEU A 65 5.398 9.344 6.047 1.00 34.53 H new ATOM 0 HD23 LEU A 65 6.243 10.734 6.769 1.00 34.53 H new ATOM 1022 N ILE A 66 4.628 8.744 2.189 1.00 22.51 N ATOM 1023 CA ILE A 66 3.837 8.401 1.020 1.00 44.21 C ATOM 1024 C ILE A 66 2.352 8.580 1.355 1.00 3.43 C ATOM 1025 O ILE A 66 1.901 8.127 2.411 1.00 15.04 O ATOM 1026 CB ILE A 66 4.266 6.991 0.553 1.00 52.23 C ATOM 1027 CG1 ILE A 66 3.568 6.634 -0.754 1.00 52.33 C ATOM 1028 CG2 ILE A 66 4.075 5.881 1.594 1.00 73.35 C ATOM 1029 CD1 ILE A 66 4.152 5.418 -1.481 1.00 62.52 C ATOM 0 H ILE A 66 4.181 8.496 3.072 1.00 22.51 H new ATOM 0 HA ILE A 66 4.010 9.060 0.169 1.00 44.21 H new ATOM 0 HB ILE A 66 5.343 7.049 0.399 1.00 52.23 H new ATOM 0 HG12 ILE A 66 2.514 6.445 -0.548 1.00 52.33 H new ATOM 0 HG13 ILE A 66 3.613 7.495 -1.421 1.00 52.33 H new ATOM 0 HG21 ILE A 66 4.403 4.929 1.176 1.00 73.35 H new ATOM 0 HG22 ILE A 66 4.664 6.110 2.482 1.00 73.35 H new ATOM 0 HG23 ILE A 66 3.021 5.814 1.865 1.00 73.35 H new ATOM 0 HD11 ILE A 66 3.592 5.240 -2.399 1.00 62.52 H new ATOM 0 HD12 ILE A 66 5.198 5.607 -1.724 1.00 62.52 H new ATOM 0 HD13 ILE A 66 4.082 4.541 -0.837 1.00 62.52 H new ATOM 1041 N LYS A 67 1.594 9.266 0.492 1.00 72.42 N ATOM 1042 CA LYS A 67 0.220 9.716 0.737 1.00 75.22 C ATOM 1043 C LYS A 67 -0.621 9.513 -0.517 1.00 60.22 C ATOM 1044 O LYS A 67 -0.325 10.125 -1.549 1.00 72.54 O ATOM 1045 CB LYS A 67 0.210 11.203 1.099 1.00 53.20 C ATOM 1046 CG LYS A 67 0.894 11.515 2.437 1.00 2.34 C ATOM 1047 CD LYS A 67 0.287 12.740 3.136 1.00 1.24 C ATOM 1048 CE LYS A 67 0.643 14.037 2.405 1.00 62.22 C ATOM 1049 NZ LYS A 67 -0.358 15.095 2.629 1.00 31.44 N ATOM 0 H LYS A 67 1.934 9.533 -0.432 1.00 72.42 H new ATOM 0 HA LYS A 67 -0.194 9.135 1.561 1.00 75.22 H new ATOM 0 HB2 LYS A 67 0.706 11.764 0.307 1.00 53.20 H new ATOM 0 HB3 LYS A 67 -0.822 11.552 1.138 1.00 53.20 H new ATOM 0 HG2 LYS A 67 0.813 10.649 3.094 1.00 2.34 H new ATOM 0 HG3 LYS A 67 1.957 11.687 2.267 1.00 2.34 H new ATOM 0 HD2 LYS A 67 -0.797 12.633 3.183 1.00 1.24 H new ATOM 0 HD3 LYS A 67 0.647 12.790 4.164 1.00 1.24 H new ATOM 0 HE2 LYS A 67 1.619 14.386 2.742 1.00 62.22 H new ATOM 0 HE3 LYS A 67 0.727 13.839 1.336 1.00 62.22 H new ATOM 0 HZ1 LYS A 67 -0.874 15.277 1.745 1.00 31.44 H new ATOM 0 HZ2 LYS A 67 -1.027 14.790 3.364 1.00 31.44 H new ATOM 0 HZ3 LYS A 67 0.120 15.966 2.936 1.00 31.44 H new ATOM 1063 N LEU A 68 -1.643 8.662 -0.441 1.00 60.10 N ATOM 1064 CA LEU A 68 -2.503 8.337 -1.577 1.00 55.42 C ATOM 1065 C LEU A 68 -3.716 9.279 -1.583 1.00 32.13 C ATOM 1066 O LEU A 68 -4.154 9.753 -0.528 1.00 73.30 O ATOM 1067 CB LEU A 68 -2.929 6.860 -1.510 1.00 60.43 C ATOM 1068 CG LEU A 68 -1.748 5.872 -1.690 1.00 15.01 C ATOM 1069 CD1 LEU A 68 -1.064 5.460 -0.377 1.00 61.24 C ATOM 1070 CD2 LEU A 68 -2.180 4.609 -2.424 1.00 13.41 C ATOM 0 H LEU A 68 -1.899 8.175 0.418 1.00 60.10 H new ATOM 0 HA LEU A 68 -1.957 8.479 -2.510 1.00 55.42 H new ATOM 0 HB2 LEU A 68 -3.409 6.671 -0.550 1.00 60.43 H new ATOM 0 HB3 LEU A 68 -3.674 6.669 -2.282 1.00 60.43 H new ATOM 0 HG LEU A 68 -1.021 6.429 -2.282 1.00 15.01 H new ATOM 0 HD11 LEU A 68 -0.250 4.768 -0.592 1.00 61.24 H new ATOM 0 HD12 LEU A 68 -0.667 6.345 0.120 1.00 61.24 H new ATOM 0 HD13 LEU A 68 -1.790 4.974 0.275 1.00 61.24 H new ATOM 0 HD21 LEU A 68 -1.326 3.940 -2.532 1.00 13.41 H new ATOM 0 HD22 LEU A 68 -2.964 4.108 -1.856 1.00 13.41 H new ATOM 0 HD23 LEU A 68 -2.560 4.874 -3.411 1.00 13.41 H new ATOM 1082 N TYR A 69 -4.258 9.550 -2.774 1.00 40.12 N ATOM 1083 CA TYR A 69 -5.261 10.581 -3.031 1.00 60.22 C ATOM 1084 C TYR A 69 -6.403 9.986 -3.850 1.00 2.05 C ATOM 1085 O TYR A 69 -6.173 9.184 -4.761 1.00 20.53 O ATOM 1086 CB TYR A 69 -4.617 11.767 -3.770 1.00 51.04 C ATOM 1087 CG TYR A 69 -3.816 12.718 -2.896 1.00 33.11 C ATOM 1088 CD1 TYR A 69 -2.582 12.315 -2.363 1.00 20.44 C ATOM 1089 CD2 TYR A 69 -4.289 14.014 -2.617 1.00 54.32 C ATOM 1090 CE1 TYR A 69 -1.857 13.163 -1.512 1.00 1.32 C ATOM 1091 CE2 TYR A 69 -3.560 14.882 -1.784 1.00 64.54 C ATOM 1092 CZ TYR A 69 -2.341 14.453 -1.216 1.00 1.21 C ATOM 1093 OH TYR A 69 -1.636 15.272 -0.388 1.00 0.15 O ATOM 0 H TYR A 69 -3.998 9.036 -3.616 1.00 40.12 H new ATOM 0 HA TYR A 69 -5.662 10.946 -2.085 1.00 60.22 H new ATOM 0 HB2 TYR A 69 -3.962 11.376 -4.549 1.00 51.04 H new ATOM 0 HB3 TYR A 69 -5.403 12.333 -4.269 1.00 51.04 H new ATOM 0 HD1 TYR A 69 -2.186 11.341 -2.611 1.00 20.44 H new ATOM 0 HD2 TYR A 69 -5.222 14.346 -3.047 1.00 54.32 H new ATOM 0 HE1 TYR A 69 -0.925 12.826 -1.083 1.00 1.32 H new ATOM 0 HE2 TYR A 69 -3.932 15.875 -1.579 1.00 64.54 H new ATOM 0 HH TYR A 69 -2.109 16.125 -0.291 1.00 0.15 H new ATOM 1103 N ASP A 70 -7.644 10.371 -3.538 1.00 2.25 N ATOM 1104 CA ASP A 70 -8.788 9.800 -4.257 1.00 61.53 C ATOM 1105 C ASP A 70 -8.883 10.393 -5.660 1.00 75.51 C ATOM 1106 O ASP A 70 -8.216 11.373 -5.979 1.00 11.14 O ATOM 1107 CB ASP A 70 -10.139 10.043 -3.539 1.00 72.53 C ATOM 1108 CG ASP A 70 -10.387 9.260 -2.249 1.00 2.33 C ATOM 1109 OD1 ASP A 70 -10.976 8.161 -2.278 1.00 3.45 O ATOM 1110 OD2 ASP A 70 -10.136 9.808 -1.158 1.00 12.02 O ATOM 0 H ASP A 70 -7.879 11.053 -2.817 1.00 2.25 H new ATOM 0 HA ASP A 70 -8.610 8.725 -4.296 1.00 61.53 H new ATOM 0 HB2 ASP A 70 -10.216 11.106 -3.311 1.00 72.53 H new ATOM 0 HB3 ASP A 70 -10.942 9.808 -4.238 1.00 72.53 H new ATOM 1115 N LYS A 71 -9.859 9.912 -6.439 1.00 1.05 N ATOM 1116 CA LYS A 71 -10.428 10.625 -7.587 1.00 51.04 C ATOM 1117 C LYS A 71 -11.179 11.915 -7.216 1.00 72.11 C ATOM 1118 O LYS A 71 -11.903 12.471 -8.040 1.00 23.31 O ATOM 1119 CB LYS A 71 -11.285 9.694 -8.470 1.00 41.21 C ATOM 1120 CG LYS A 71 -12.601 9.158 -7.886 1.00 24.52 C ATOM 1121 CD LYS A 71 -12.382 8.019 -6.878 1.00 20.15 C ATOM 1122 CE LYS A 71 -13.663 7.222 -6.632 1.00 33.24 C ATOM 1123 NZ LYS A 71 -14.059 6.380 -7.779 1.00 22.41 N ATOM 0 H LYS A 71 -10.283 8.997 -6.285 1.00 1.05 H new ATOM 0 HA LYS A 71 -9.572 10.953 -8.177 1.00 51.04 H new ATOM 0 HB2 LYS A 71 -11.521 10.230 -9.389 1.00 41.21 H new ATOM 0 HB3 LYS A 71 -10.670 8.838 -8.749 1.00 41.21 H new ATOM 0 HG2 LYS A 71 -13.135 9.973 -7.397 1.00 24.52 H new ATOM 0 HG3 LYS A 71 -13.236 8.802 -8.698 1.00 24.52 H new ATOM 0 HD2 LYS A 71 -11.604 7.351 -7.248 1.00 20.15 H new ATOM 0 HD3 LYS A 71 -12.025 8.432 -5.935 1.00 20.15 H new ATOM 0 HE2 LYS A 71 -13.525 6.588 -5.756 1.00 33.24 H new ATOM 0 HE3 LYS A 71 -14.474 7.913 -6.401 1.00 33.24 H new ATOM 0 HZ1 LYS A 71 -14.818 5.731 -7.488 1.00 22.41 H new ATOM 0 HZ2 LYS A 71 -14.399 6.986 -8.553 1.00 22.41 H new ATOM 0 HZ3 LYS A 71 -13.239 5.829 -8.105 1.00 22.41 H new ATOM 1137 N GLU A 72 -11.069 12.360 -5.969 1.00 11.02 N ATOM 1138 CA GLU A 72 -11.509 13.665 -5.494 1.00 44.01 C ATOM 1139 C GLU A 72 -10.337 14.430 -4.864 1.00 31.51 C ATOM 1140 O GLU A 72 -10.536 15.509 -4.309 1.00 22.32 O ATOM 1141 CB GLU A 72 -12.682 13.452 -4.525 1.00 64.11 C ATOM 1142 CG GLU A 72 -14.018 13.525 -5.256 1.00 2.43 C ATOM 1143 CD GLU A 72 -14.305 14.953 -5.726 1.00 52.14 C ATOM 1144 OE1 GLU A 72 -14.572 15.845 -4.891 1.00 1.34 O ATOM 1145 OE2 GLU A 72 -14.227 15.186 -6.953 1.00 21.52 O ATOM 0 H GLU A 72 -10.652 11.795 -5.229 1.00 11.02 H new ATOM 0 HA GLU A 72 -11.858 14.284 -6.320 1.00 44.01 H new ATOM 0 HB2 GLU A 72 -12.583 12.482 -4.037 1.00 64.11 H new ATOM 0 HB3 GLU A 72 -12.651 14.208 -3.740 1.00 64.11 H new ATOM 0 HG2 GLU A 72 -14.006 12.851 -6.113 1.00 2.43 H new ATOM 0 HG3 GLU A 72 -14.817 13.187 -4.596 1.00 2.43 H new ATOM 1152 N GLU A 73 -9.126 13.876 -4.983 1.00 21.55 N ATOM 1153 CA GLU A 73 -7.829 14.442 -4.658 1.00 11.41 C ATOM 1154 C GLU A 73 -7.779 15.157 -3.302 1.00 42.30 C ATOM 1155 O GLU A 73 -7.078 16.155 -3.152 1.00 63.34 O ATOM 1156 CB GLU A 73 -7.330 15.265 -5.864 1.00 72.13 C ATOM 1157 CG GLU A 73 -5.801 15.417 -5.848 1.00 22.34 C ATOM 1158 CD GLU A 73 -5.212 15.863 -7.182 1.00 43.14 C ATOM 1159 OE1 GLU A 73 -5.840 16.638 -7.943 1.00 13.44 O ATOM 1160 OE2 GLU A 73 -4.043 15.485 -7.438 1.00 34.14 O ATOM 0 H GLU A 73 -9.029 12.927 -5.345 1.00 21.55 H new ATOM 0 HA GLU A 73 -7.116 13.633 -4.497 1.00 11.41 H new ATOM 0 HB2 GLU A 73 -7.639 14.780 -6.790 1.00 72.13 H new ATOM 0 HB3 GLU A 73 -7.795 16.251 -5.850 1.00 72.13 H new ATOM 0 HG2 GLU A 73 -5.525 16.140 -5.080 1.00 22.34 H new ATOM 0 HG3 GLU A 73 -5.354 14.464 -5.564 1.00 22.34 H new ATOM 1167 N HIS A 74 -8.430 14.605 -2.274 1.00 31.11 N ATOM 1168 CA HIS A 74 -8.522 15.209 -0.948 1.00 52.11 C ATOM 1169 C HIS A 74 -7.782 14.440 0.154 1.00 44.33 C ATOM 1170 O HIS A 74 -8.152 14.529 1.321 1.00 14.05 O ATOM 1171 CB HIS A 74 -9.974 15.597 -0.617 1.00 22.33 C ATOM 1172 CG HIS A 74 -11.019 14.504 -0.663 1.00 14.14 C ATOM 1173 ND1 HIS A 74 -12.231 14.600 -1.305 1.00 31.53 N ATOM 1174 CD2 HIS A 74 -10.992 13.285 -0.039 1.00 3.15 C ATOM 1175 CE1 HIS A 74 -12.920 13.469 -1.081 1.00 13.32 C ATOM 1176 NE2 HIS A 74 -12.207 12.640 -0.300 1.00 3.33 N ATOM 0 H HIS A 74 -8.915 13.711 -2.344 1.00 31.11 H new ATOM 0 HA HIS A 74 -7.961 16.143 -0.984 1.00 52.11 H new ATOM 0 HB2 HIS A 74 -9.986 16.031 0.383 1.00 22.33 H new ATOM 0 HB3 HIS A 74 -10.278 16.382 -1.309 1.00 22.33 H new ATOM 0 HD2 HIS A 74 -10.177 12.891 0.550 1.00 3.15 H new ATOM 0 HE1 HIS A 74 -13.904 13.257 -1.472 1.00 13.32 H new ATOM 0 HE2 HIS A 74 -12.495 11.721 0.037 1.00 3.33 H new ATOM 1184 N CYS A 75 -6.768 13.678 -0.276 1.00 4.15 N ATOM 1185 CA CYS A 75 -6.061 12.595 0.412 1.00 21.51 C ATOM 1186 C CYS A 75 -6.985 11.589 1.118 1.00 0.12 C ATOM 1187 O CYS A 75 -8.193 11.792 1.212 1.00 51.22 O ATOM 1188 CB CYS A 75 -4.892 13.108 1.261 1.00 40.41 C ATOM 1189 SG CYS A 75 -5.440 13.890 2.806 1.00 2.03 S ATOM 0 H CYS A 75 -6.385 13.821 -1.210 1.00 4.15 H new ATOM 0 HA CYS A 75 -5.599 11.991 -0.369 1.00 21.51 H new ATOM 0 HB2 CYS A 75 -4.226 12.277 1.495 1.00 40.41 H new ATOM 0 HB3 CYS A 75 -4.314 13.826 0.680 1.00 40.41 H new ATOM 0 HG CYS A 75 -6.652 14.337 2.660 1.00 2.03 H new ATOM 1195 N THR A 76 -6.456 10.450 1.533 1.00 2.14 N ATOM 1196 CA THR A 76 -7.272 9.423 2.186 1.00 63.31 C ATOM 1197 C THR A 76 -6.432 8.621 3.180 1.00 64.42 C ATOM 1198 O THR A 76 -6.874 8.364 4.304 1.00 53.10 O ATOM 1199 CB THR A 76 -8.037 8.603 1.112 1.00 33.53 C ATOM 1200 OG1 THR A 76 -8.285 7.277 1.509 1.00 4.35 O ATOM 1201 CG2 THR A 76 -7.393 8.554 -0.283 1.00 53.22 C ATOM 0 H THR A 76 -5.470 10.208 1.433 1.00 2.14 H new ATOM 0 HA THR A 76 -8.051 9.869 2.804 1.00 63.31 H new ATOM 0 HB THR A 76 -8.966 9.167 1.028 1.00 33.53 H new ATOM 0 HG1 THR A 76 -8.769 6.808 0.798 1.00 4.35 H new ATOM 0 HG21 THR A 76 -8.013 7.955 -0.949 1.00 53.22 H new ATOM 0 HG22 THR A 76 -7.307 9.566 -0.680 1.00 53.22 H new ATOM 0 HG23 THR A 76 -6.402 8.107 -0.211 1.00 53.22 H new ATOM 1209 N GLU A 77 -5.190 8.291 2.820 1.00 2.21 N ATOM 1210 CA GLU A 77 -4.297 7.531 3.672 1.00 72.23 C ATOM 1211 C GLU A 77 -2.922 8.182 3.611 1.00 60.33 C ATOM 1212 O GLU A 77 -2.586 8.814 2.601 1.00 62.12 O ATOM 1213 CB GLU A 77 -4.282 6.077 3.186 1.00 15.35 C ATOM 1214 CG GLU A 77 -5.615 5.360 3.466 1.00 20.53 C ATOM 1215 CD GLU A 77 -5.547 3.853 3.224 1.00 20.41 C ATOM 1216 OE1 GLU A 77 -5.117 3.100 4.133 1.00 74.35 O ATOM 1217 OE2 GLU A 77 -5.950 3.392 2.126 1.00 21.54 O ATOM 0 H GLU A 77 -4.781 8.549 1.922 1.00 2.21 H new ATOM 0 HA GLU A 77 -4.624 7.527 4.712 1.00 72.23 H new ATOM 0 HB2 GLU A 77 -4.077 6.055 2.116 1.00 15.35 H new ATOM 0 HB3 GLU A 77 -3.471 5.539 3.677 1.00 15.35 H new ATOM 0 HG2 GLU A 77 -5.909 5.543 4.499 1.00 20.53 H new ATOM 0 HG3 GLU A 77 -6.392 5.789 2.833 1.00 20.53 H new ATOM 1224 N GLN A 78 -2.133 8.052 4.681 1.00 21.52 N ATOM 1225 CA GLN A 78 -0.746 8.472 4.705 1.00 13.13 C ATOM 1226 C GLN A 78 -0.008 7.427 5.536 1.00 20.14 C ATOM 1227 O GLN A 78 -0.530 7.032 6.574 1.00 53.44 O ATOM 1228 CB GLN A 78 -0.626 9.879 5.317 1.00 22.12 C ATOM 1229 CG GLN A 78 -1.373 10.117 6.644 1.00 75.24 C ATOM 1230 CD GLN A 78 -1.018 11.454 7.284 1.00 72.52 C ATOM 1231 OE1 GLN A 78 -1.853 12.308 7.565 1.00 43.30 O ATOM 1232 NE2 GLN A 78 0.245 11.675 7.565 1.00 23.54 N ATOM 0 H GLN A 78 -2.452 7.646 5.561 1.00 21.52 H new ATOM 0 HA GLN A 78 -0.319 8.537 3.704 1.00 13.13 H new ATOM 0 HB2 GLN A 78 0.431 10.092 5.477 1.00 22.12 H new ATOM 0 HB3 GLN A 78 -0.990 10.601 4.586 1.00 22.12 H new ATOM 0 HG2 GLN A 78 -2.447 10.078 6.464 1.00 75.24 H new ATOM 0 HG3 GLN A 78 -1.137 9.311 7.339 1.00 75.24 H new ATOM 0 HE21 GLN A 78 0.949 10.973 7.336 1.00 23.54 H new ATOM 0 HE22 GLN A 78 0.523 12.549 8.012 1.00 23.54 H new ATOM 1241 N TYR A 79 1.167 6.937 5.121 1.00 12.12 N ATOM 1242 CA TYR A 79 1.943 6.043 5.974 1.00 73.43 C ATOM 1243 C TYR A 79 3.441 6.165 5.737 1.00 33.14 C ATOM 1244 O TYR A 79 3.879 6.704 4.713 1.00 24.23 O ATOM 1245 CB TYR A 79 1.365 4.620 5.894 1.00 35.52 C ATOM 1246 CG TYR A 79 0.552 4.309 4.651 1.00 53.35 C ATOM 1247 CD1 TYR A 79 1.134 4.274 3.378 1.00 35.11 C ATOM 1248 CD2 TYR A 79 -0.834 4.118 4.778 1.00 52.33 C ATOM 1249 CE1 TYR A 79 0.342 3.965 2.256 1.00 44.15 C ATOM 1250 CE2 TYR A 79 -1.604 3.700 3.680 1.00 24.44 C ATOM 1251 CZ TYR A 79 -1.007 3.583 2.414 1.00 53.44 C ATOM 1252 OH TYR A 79 -1.687 3.018 1.383 1.00 54.01 O ATOM 0 H TYR A 79 1.591 7.142 4.216 1.00 12.12 H new ATOM 0 HA TYR A 79 1.842 6.348 7.015 1.00 73.43 H new ATOM 0 HB2 TYR A 79 2.189 3.909 5.954 1.00 35.52 H new ATOM 0 HB3 TYR A 79 0.736 4.453 6.768 1.00 35.52 H new ATOM 0 HD1 TYR A 79 2.187 4.483 3.257 1.00 35.11 H new ATOM 0 HD2 TYR A 79 -1.313 4.294 5.730 1.00 52.33 H new ATOM 0 HE1 TYR A 79 0.770 4.021 1.266 1.00 44.15 H new ATOM 0 HE2 TYR A 79 -2.651 3.469 3.809 1.00 24.44 H new ATOM 0 HH TYR A 79 -2.603 2.817 1.667 1.00 54.01 H new ATOM 1262 N HIS A 80 4.233 5.716 6.709 1.00 61.25 N ATOM 1263 CA HIS A 80 5.683 5.778 6.631 1.00 71.15 C ATOM 1264 C HIS A 80 6.198 4.560 5.890 1.00 55.11 C ATOM 1265 O HIS A 80 5.760 3.426 6.111 1.00 41.34 O ATOM 1266 CB HIS A 80 6.365 5.870 8.005 1.00 35.10 C ATOM 1267 CG HIS A 80 6.917 7.241 8.313 1.00 4.00 C ATOM 1268 ND1 HIS A 80 7.615 8.060 7.444 1.00 4.42 N ATOM 1269 CD2 HIS A 80 6.880 7.864 9.532 1.00 44.42 C ATOM 1270 CE1 HIS A 80 7.949 9.169 8.119 1.00 44.43 C ATOM 1271 NE2 HIS A 80 7.527 9.099 9.391 1.00 23.25 N ATOM 0 H HIS A 80 3.883 5.299 7.572 1.00 61.25 H new ATOM 0 HA HIS A 80 5.933 6.694 6.096 1.00 71.15 H new ATOM 0 HB2 HIS A 80 5.647 5.594 8.777 1.00 35.10 H new ATOM 0 HB3 HIS A 80 7.175 5.142 8.049 1.00 35.10 H new ATOM 0 HD1 HIS A 80 7.835 7.857 6.469 1.00 4.42 H new ATOM 0 HD2 HIS A 80 6.434 7.475 10.436 1.00 44.42 H new ATOM 0 HE1 HIS A 80 8.485 10.006 7.696 1.00 44.43 H new ATOM 1279 N ILE A 81 7.195 4.799 5.048 1.00 40.22 N ATOM 1280 CA ILE A 81 7.940 3.759 4.381 1.00 22.12 C ATOM 1281 C ILE A 81 9.038 3.340 5.356 1.00 33.13 C ATOM 1282 O ILE A 81 10.003 4.078 5.547 1.00 24.13 O ATOM 1283 CB ILE A 81 8.508 4.311 3.051 1.00 63.25 C ATOM 1284 CG1 ILE A 81 7.451 4.998 2.156 1.00 64.13 C ATOM 1285 CG2 ILE A 81 9.243 3.210 2.273 1.00 73.25 C ATOM 1286 CD1 ILE A 81 8.009 5.502 0.816 1.00 72.41 C ATOM 0 H ILE A 81 7.508 5.740 4.811 1.00 40.22 H new ATOM 0 HA ILE A 81 7.328 2.896 4.121 1.00 22.12 H new ATOM 0 HB ILE A 81 9.216 5.090 3.331 1.00 63.25 H new ATOM 0 HG12 ILE A 81 6.641 4.295 1.961 1.00 64.13 H new ATOM 0 HG13 ILE A 81 7.019 5.839 2.699 1.00 64.13 H new ATOM 0 HG21 ILE A 81 9.634 3.621 1.342 1.00 73.25 H new ATOM 0 HG22 ILE A 81 10.067 2.828 2.875 1.00 73.25 H new ATOM 0 HG23 ILE A 81 8.551 2.399 2.049 1.00 73.25 H new ATOM 0 HD11 ILE A 81 7.210 5.972 0.243 1.00 72.41 H new ATOM 0 HD12 ILE A 81 8.799 6.230 1.001 1.00 72.41 H new ATOM 0 HD13 ILE A 81 8.415 4.662 0.252 1.00 72.41 H new ATOM 1298 N LEU A 82 8.906 2.177 5.994 1.00 74.41 N ATOM 1299 CA LEU A 82 10.023 1.600 6.740 1.00 55.14 C ATOM 1300 C LEU A 82 11.023 1.019 5.743 1.00 22.41 C ATOM 1301 O LEU A 82 12.143 1.514 5.607 1.00 24.22 O ATOM 1302 CB LEU A 82 9.531 0.540 7.738 1.00 11.02 C ATOM 1303 CG LEU A 82 8.617 1.115 8.831 1.00 12.04 C ATOM 1304 CD1 LEU A 82 8.023 -0.034 9.657 1.00 61.12 C ATOM 1305 CD2 LEU A 82 9.387 2.053 9.765 1.00 2.34 C ATOM 0 H LEU A 82 8.050 1.623 6.010 1.00 74.41 H new ATOM 0 HA LEU A 82 10.515 2.374 7.329 1.00 55.14 H new ATOM 0 HB2 LEU A 82 8.993 -0.238 7.196 1.00 11.02 H new ATOM 0 HB3 LEU A 82 10.392 0.064 8.207 1.00 11.02 H new ATOM 0 HG LEU A 82 7.825 1.684 8.344 1.00 12.04 H new ATOM 0 HD11 LEU A 82 7.374 0.373 10.433 1.00 61.12 H new ATOM 0 HD12 LEU A 82 7.443 -0.688 9.006 1.00 61.12 H new ATOM 0 HD13 LEU A 82 8.829 -0.604 10.120 1.00 61.12 H new ATOM 0 HD21 LEU A 82 8.712 2.443 10.527 1.00 2.34 H new ATOM 0 HD22 LEU A 82 10.197 1.504 10.245 1.00 2.34 H new ATOM 0 HD23 LEU A 82 9.801 2.881 9.189 1.00 2.34 H new ATOM 1317 N LYS A 83 10.607 -0.029 5.028 1.00 72.12 N ATOM 1318 CA LYS A 83 11.430 -0.766 4.079 1.00 51.55 C ATOM 1319 C LYS A 83 10.556 -1.315 2.957 1.00 55.23 C ATOM 1320 O LYS A 83 9.338 -1.497 3.117 1.00 60.12 O ATOM 1321 CB LYS A 83 12.149 -1.930 4.790 1.00 35.33 C ATOM 1322 CG LYS A 83 13.655 -1.726 5.041 1.00 63.21 C ATOM 1323 CD LYS A 83 14.534 -1.746 3.777 1.00 55.32 C ATOM 1324 CE LYS A 83 14.489 -3.049 2.960 1.00 60.04 C ATOM 1325 NZ LYS A 83 15.060 -4.234 3.644 1.00 50.35 N ATOM 0 H LYS A 83 9.658 -0.396 5.099 1.00 72.12 H new ATOM 0 HA LYS A 83 12.176 -0.090 3.661 1.00 51.55 H new ATOM 0 HB2 LYS A 83 11.659 -2.105 5.748 1.00 35.33 H new ATOM 0 HB3 LYS A 83 12.017 -2.833 4.195 1.00 35.33 H new ATOM 0 HG2 LYS A 83 13.797 -0.772 5.549 1.00 63.21 H new ATOM 0 HG3 LYS A 83 14.004 -2.504 5.720 1.00 63.21 H new ATOM 0 HD2 LYS A 83 14.230 -0.922 3.131 1.00 55.32 H new ATOM 0 HD3 LYS A 83 15.567 -1.557 4.071 1.00 55.32 H new ATOM 0 HE2 LYS A 83 13.452 -3.262 2.700 1.00 60.04 H new ATOM 0 HE3 LYS A 83 15.027 -2.893 2.025 1.00 60.04 H new ATOM 0 HZ1 LYS A 83 15.515 -4.853 2.943 1.00 50.35 H new ATOM 0 HZ2 LYS A 83 15.765 -3.925 4.343 1.00 50.35 H new ATOM 0 HZ3 LYS A 83 14.301 -4.756 4.126 1.00 50.35 H new ATOM 1339 N LEU A 84 11.212 -1.637 1.843 1.00 51.54 N ATOM 1340 CA LEU A 84 10.719 -2.359 0.681 1.00 74.43 C ATOM 1341 C LEU A 84 11.787 -3.393 0.395 1.00 75.05 C ATOM 1342 O LEU A 84 12.972 -3.069 0.502 1.00 75.32 O ATOM 1343 CB LEU A 84 10.583 -1.441 -0.561 1.00 40.53 C ATOM 1344 CG LEU A 84 9.241 -1.646 -1.287 1.00 75.32 C ATOM 1345 CD1 LEU A 84 8.991 -0.566 -2.336 1.00 15.22 C ATOM 1346 CD2 LEU A 84 9.196 -2.987 -1.999 1.00 74.35 C ATOM 0 H LEU A 84 12.190 -1.373 1.725 1.00 51.54 H new ATOM 0 HA LEU A 84 9.732 -2.777 0.878 1.00 74.43 H new ATOM 0 HB2 LEU A 84 10.673 -0.399 -0.253 1.00 40.53 H new ATOM 0 HB3 LEU A 84 11.403 -1.641 -1.251 1.00 40.53 H new ATOM 0 HG LEU A 84 8.475 -1.598 -0.513 1.00 75.32 H new ATOM 0 HD11 LEU A 84 8.034 -0.748 -2.825 1.00 15.22 H new ATOM 0 HD12 LEU A 84 8.972 0.412 -1.854 1.00 15.22 H new ATOM 0 HD13 LEU A 84 9.788 -0.589 -3.079 1.00 15.22 H new ATOM 0 HD21 LEU A 84 8.235 -3.100 -2.501 1.00 74.35 H new ATOM 0 HD22 LEU A 84 9.998 -3.035 -2.735 1.00 74.35 H new ATOM 0 HD23 LEU A 84 9.322 -3.789 -1.272 1.00 74.35 H new ATOM 1358 N THR A 85 11.380 -4.588 0.009 1.00 62.33 N ATOM 1359 CA THR A 85 12.243 -5.554 -0.661 1.00 51.22 C ATOM 1360 C THR A 85 11.482 -6.166 -1.835 1.00 74.22 C ATOM 1361 O THR A 85 10.320 -5.838 -2.077 1.00 4.23 O ATOM 1362 CB THR A 85 12.777 -6.636 0.303 1.00 11.44 C ATOM 1363 OG1 THR A 85 11.824 -7.637 0.593 1.00 14.33 O ATOM 1364 CG2 THR A 85 13.284 -6.045 1.615 1.00 11.50 C ATOM 0 H THR A 85 10.427 -4.924 0.152 1.00 62.33 H new ATOM 0 HA THR A 85 13.125 -5.034 -1.034 1.00 51.22 H new ATOM 0 HB THR A 85 13.610 -7.095 -0.231 1.00 11.44 H new ATOM 0 HG1 THR A 85 12.216 -8.295 1.205 1.00 14.33 H new ATOM 0 HG21 THR A 85 13.649 -6.846 2.258 1.00 11.50 H new ATOM 0 HG22 THR A 85 14.095 -5.347 1.410 1.00 11.50 H new ATOM 0 HG23 THR A 85 12.471 -5.520 2.116 1.00 11.50 H new ATOM 1372 N SER A 86 12.085 -7.163 -2.477 1.00 24.33 N ATOM 1373 CA SER A 86 11.444 -8.051 -3.424 1.00 33.32 C ATOM 1374 C SER A 86 10.069 -8.531 -2.945 1.00 10.13 C ATOM 1375 O SER A 86 9.161 -8.603 -3.774 1.00 73.15 O ATOM 1376 CB SER A 86 12.430 -9.201 -3.623 1.00 3.52 C ATOM 1377 OG SER A 86 11.878 -10.316 -4.278 1.00 45.13 O ATOM 0 H SER A 86 13.073 -7.377 -2.342 1.00 24.33 H new ATOM 0 HA SER A 86 11.229 -7.542 -4.364 1.00 33.32 H new ATOM 0 HB2 SER A 86 13.283 -8.840 -4.197 1.00 3.52 H new ATOM 0 HB3 SER A 86 12.810 -9.514 -2.650 1.00 3.52 H new ATOM 0 HG SER A 86 12.562 -11.011 -4.373 1.00 45.13 H new ATOM 1383 N LYS A 87 9.877 -8.840 -1.655 1.00 24.14 N ATOM 1384 CA LYS A 87 8.666 -9.493 -1.142 1.00 45.25 C ATOM 1385 C LYS A 87 8.289 -9.024 0.266 1.00 1.22 C ATOM 1386 O LYS A 87 7.595 -9.748 0.975 1.00 2.10 O ATOM 1387 CB LYS A 87 8.807 -11.024 -1.265 1.00 41.23 C ATOM 1388 CG LYS A 87 10.067 -11.589 -0.584 1.00 30.14 C ATOM 1389 CD LYS A 87 10.018 -13.114 -0.398 1.00 32.03 C ATOM 1390 CE LYS A 87 9.035 -13.508 0.713 1.00 2.41 C ATOM 1391 NZ LYS A 87 8.836 -14.969 0.838 1.00 11.51 N ATOM 0 H LYS A 87 10.567 -8.641 -0.930 1.00 24.14 H new ATOM 0 HA LYS A 87 7.822 -9.188 -1.760 1.00 45.25 H new ATOM 0 HB2 LYS A 87 7.927 -11.497 -0.829 1.00 41.23 H new ATOM 0 HB3 LYS A 87 8.824 -11.294 -2.321 1.00 41.23 H new ATOM 0 HG2 LYS A 87 10.942 -11.329 -1.179 1.00 30.14 H new ATOM 0 HG3 LYS A 87 10.191 -11.114 0.389 1.00 30.14 H new ATOM 0 HD2 LYS A 87 9.721 -13.587 -1.334 1.00 32.03 H new ATOM 0 HD3 LYS A 87 11.013 -13.485 -0.154 1.00 32.03 H new ATOM 0 HE2 LYS A 87 9.398 -13.117 1.663 1.00 2.41 H new ATOM 0 HE3 LYS A 87 8.073 -13.034 0.520 1.00 2.41 H new ATOM 0 HZ1 LYS A 87 8.162 -15.163 1.606 1.00 11.51 H new ATOM 0 HZ2 LYS A 87 8.461 -15.346 -0.056 1.00 11.51 H new ATOM 0 HZ3 LYS A 87 9.745 -15.426 1.052 1.00 11.51 H new ATOM 1405 N GLU A 88 8.733 -7.848 0.704 1.00 2.30 N ATOM 1406 CA GLU A 88 8.434 -7.288 2.025 1.00 30.00 C ATOM 1407 C GLU A 88 8.154 -5.796 1.826 1.00 30.43 C ATOM 1408 O GLU A 88 8.895 -5.132 1.103 1.00 71.42 O ATOM 1409 CB GLU A 88 9.651 -7.527 2.945 1.00 25.03 C ATOM 1410 CG GLU A 88 9.351 -7.420 4.448 1.00 33.44 C ATOM 1411 CD GLU A 88 10.579 -7.811 5.283 1.00 24.43 C ATOM 1412 OE1 GLU A 88 10.999 -8.991 5.252 1.00 3.22 O ATOM 1413 OE2 GLU A 88 11.166 -6.939 5.970 1.00 53.15 O ATOM 0 H GLU A 88 9.326 -7.241 0.138 1.00 2.30 H new ATOM 0 HA GLU A 88 7.567 -7.757 2.491 1.00 30.00 H new ATOM 0 HB2 GLU A 88 10.056 -8.518 2.739 1.00 25.03 H new ATOM 0 HB3 GLU A 88 10.428 -6.806 2.691 1.00 25.03 H new ATOM 0 HG2 GLU A 88 9.051 -6.401 4.691 1.00 33.44 H new ATOM 0 HG3 GLU A 88 8.512 -8.068 4.702 1.00 33.44 H new ATOM 1420 N MET A 89 7.090 -5.254 2.416 1.00 25.10 N ATOM 1421 CA MET A 89 6.820 -3.822 2.447 1.00 72.41 C ATOM 1422 C MET A 89 6.126 -3.493 3.761 1.00 61.24 C ATOM 1423 O MET A 89 5.102 -4.079 4.119 1.00 31.10 O ATOM 1424 CB MET A 89 5.984 -3.376 1.241 1.00 34.13 C ATOM 1425 CG MET A 89 5.539 -1.910 1.354 1.00 51.42 C ATOM 1426 SD MET A 89 4.823 -1.282 -0.182 1.00 21.43 S ATOM 1427 CE MET A 89 3.105 -1.769 0.095 1.00 62.52 C ATOM 0 H MET A 89 6.380 -5.810 2.894 1.00 25.10 H new ATOM 0 HA MET A 89 7.760 -3.274 2.383 1.00 72.41 H new ATOM 0 HB2 MET A 89 6.566 -3.508 0.329 1.00 34.13 H new ATOM 0 HB3 MET A 89 5.105 -4.015 1.154 1.00 34.13 H new ATOM 0 HG2 MET A 89 4.807 -1.817 2.157 1.00 51.42 H new ATOM 0 HG3 MET A 89 6.395 -1.294 1.630 1.00 51.42 H new ATOM 0 HE1 MET A 89 2.446 -1.131 -0.494 1.00 62.52 H new ATOM 0 HE2 MET A 89 2.968 -2.808 -0.206 1.00 62.52 H new ATOM 0 HE3 MET A 89 2.863 -1.663 1.152 1.00 62.52 H new ATOM 1437 N LYS A 90 6.710 -2.541 4.480 1.00 32.24 N ATOM 1438 CA LYS A 90 6.295 -2.219 5.845 1.00 64.25 C ATOM 1439 C LYS A 90 5.784 -0.792 5.941 1.00 21.13 C ATOM 1440 O LYS A 90 6.583 0.139 6.069 1.00 63.24 O ATOM 1441 CB LYS A 90 7.453 -2.528 6.793 1.00 61.55 C ATOM 1442 CG LYS A 90 7.612 -4.007 7.057 1.00 2.04 C ATOM 1443 CD LYS A 90 9.003 -4.362 7.589 1.00 52.25 C ATOM 1444 CE LYS A 90 8.894 -5.740 8.235 1.00 3.41 C ATOM 1445 NZ LYS A 90 10.214 -6.319 8.534 1.00 71.12 N ATOM 0 H LYS A 90 7.483 -1.971 4.136 1.00 32.24 H new ATOM 0 HA LYS A 90 5.450 -2.839 6.144 1.00 64.25 H new ATOM 0 HB2 LYS A 90 8.378 -2.137 6.369 1.00 61.55 H new ATOM 0 HB3 LYS A 90 7.292 -2.010 7.738 1.00 61.55 H new ATOM 0 HG2 LYS A 90 6.859 -4.327 7.777 1.00 2.04 H new ATOM 0 HG3 LYS A 90 7.427 -4.559 6.135 1.00 2.04 H new ATOM 0 HD2 LYS A 90 9.734 -4.372 6.781 1.00 52.25 H new ATOM 0 HD3 LYS A 90 9.339 -3.621 8.314 1.00 52.25 H new ATOM 0 HE2 LYS A 90 8.316 -5.663 9.156 1.00 3.41 H new ATOM 0 HE3 LYS A 90 8.348 -6.409 7.570 1.00 3.41 H new ATOM 0 HZ1 LYS A 90 10.097 -7.150 9.148 1.00 71.12 H new ATOM 0 HZ2 LYS A 90 10.676 -6.605 7.648 1.00 71.12 H new ATOM 0 HZ3 LYS A 90 10.802 -5.611 9.018 1.00 71.12 H new ATOM 1459 N TRP A 91 4.473 -0.627 5.725 1.00 1.32 N ATOM 1460 CA TRP A 91 3.744 0.636 5.812 1.00 54.14 C ATOM 1461 C TRP A 91 3.386 0.835 7.277 1.00 75.43 C ATOM 1462 O TRP A 91 2.372 0.314 7.745 1.00 40.04 O ATOM 1463 CB TRP A 91 2.500 0.635 4.888 1.00 40.44 C ATOM 1464 CG TRP A 91 2.716 1.020 3.444 1.00 20.13 C ATOM 1465 CD1 TRP A 91 1.750 1.400 2.572 1.00 54.41 C ATOM 1466 CD2 TRP A 91 3.969 1.220 2.713 1.00 13.30 C ATOM 1467 NE1 TRP A 91 2.327 1.891 1.427 1.00 64.12 N ATOM 1468 CE2 TRP A 91 3.684 1.748 1.423 1.00 61.31 C ATOM 1469 CE3 TRP A 91 5.332 1.078 3.015 1.00 4.31 C ATOM 1470 CZ2 TRP A 91 4.672 2.083 0.488 1.00 24.40 C ATOM 1471 CZ3 TRP A 91 6.329 1.464 2.125 1.00 52.25 C ATOM 1472 CH2 TRP A 91 6.018 1.943 0.841 1.00 2.30 C ATOM 0 H TRP A 91 3.868 -1.409 5.474 1.00 1.32 H new ATOM 0 HA TRP A 91 4.355 1.469 5.464 1.00 54.14 H new ATOM 0 HB2 TRP A 91 2.063 -0.363 4.910 1.00 40.44 H new ATOM 0 HB3 TRP A 91 1.762 1.316 5.313 1.00 40.44 H new ATOM 0 HD1 TRP A 91 0.687 1.327 2.751 1.00 54.41 H new ATOM 0 HE1 TRP A 91 1.800 2.316 0.664 1.00 64.12 H new ATOM 0 HE3 TRP A 91 5.616 0.656 3.968 1.00 4.31 H new ATOM 0 HZ2 TRP A 91 4.398 2.444 -0.492 1.00 24.40 H new ATOM 0 HZ3 TRP A 91 7.364 1.394 2.427 1.00 52.25 H new ATOM 0 HH2 TRP A 91 6.801 2.197 0.142 1.00 2.30 H new ATOM 1483 N GLU A 92 4.240 1.542 8.004 1.00 13.03 N ATOM 1484 CA GLU A 92 3.941 1.976 9.359 1.00 62.51 C ATOM 1485 C GLU A 92 2.794 2.988 9.299 1.00 72.14 C ATOM 1486 O GLU A 92 2.810 3.850 8.422 1.00 42.34 O ATOM 1487 CB GLU A 92 5.216 2.585 9.944 1.00 52.25 C ATOM 1488 CG GLU A 92 4.993 3.333 11.259 1.00 34.53 C ATOM 1489 CD GLU A 92 6.332 3.797 11.810 1.00 73.51 C ATOM 1490 OE1 GLU A 92 6.917 4.753 11.267 1.00 3.41 O ATOM 1491 OE2 GLU A 92 6.835 3.163 12.773 1.00 15.32 O ATOM 0 H GLU A 92 5.160 1.830 7.670 1.00 13.03 H new ATOM 0 HA GLU A 92 3.626 1.151 9.998 1.00 62.51 H new ATOM 0 HB2 GLU A 92 5.945 1.792 10.107 1.00 52.25 H new ATOM 0 HB3 GLU A 92 5.648 3.271 9.215 1.00 52.25 H new ATOM 0 HG2 GLU A 92 4.338 4.189 11.097 1.00 34.53 H new ATOM 0 HG3 GLU A 92 4.496 2.684 11.980 1.00 34.53 H new ATOM 1498 N ASN A 93 1.841 2.917 10.239 1.00 32.41 N ATOM 1499 CA ASN A 93 0.686 3.810 10.323 1.00 2.21 C ATOM 1500 C ASN A 93 1.148 5.260 10.233 1.00 2.33 C ATOM 1501 O ASN A 93 0.669 5.993 9.381 1.00 12.01 O ATOM 1502 CB ASN A 93 -0.143 3.524 11.600 1.00 63.44 C ATOM 1503 CG ASN A 93 -0.737 4.774 12.255 1.00 64.35 C ATOM 1504 OD1 ASN A 93 -0.100 5.350 13.125 1.00 51.04 O ATOM 1505 ND2 ASN A 93 -1.927 5.217 11.891 1.00 73.33 N ATOM 0 H ASN A 93 1.856 2.216 10.980 1.00 32.41 H new ATOM 0 HA ASN A 93 0.021 3.624 9.479 1.00 2.21 H new ATOM 0 HB2 ASN A 93 -0.953 2.840 11.348 1.00 63.44 H new ATOM 0 HB3 ASN A 93 0.491 3.014 12.325 1.00 63.44 H new ATOM 0 HD21 ASN A 93 -2.321 6.046 12.337 1.00 73.33 H new ATOM 0 HD22 ASN A 93 -2.452 4.731 11.164 1.00 73.33 H new ATOM 1512 N ALA A 94 2.126 5.642 11.054 1.00 44.15 N ATOM 1513 CA ALA A 94 2.740 6.960 11.138 1.00 15.04 C ATOM 1514 C ALA A 94 1.802 8.010 11.724 1.00 75.52 C ATOM 1515 O ALA A 94 2.235 8.706 12.641 1.00 21.23 O ATOM 1516 CB ALA A 94 3.316 7.419 9.797 1.00 20.54 C ATOM 0 H ALA A 94 2.536 4.991 11.723 1.00 44.15 H new ATOM 0 HA ALA A 94 3.574 6.854 11.832 1.00 15.04 H new ATOM 0 HB1 ALA A 94 3.762 8.407 9.912 1.00 20.54 H new ATOM 0 HB2 ALA A 94 4.078 6.713 9.467 1.00 20.54 H new ATOM 0 HB3 ALA A 94 2.519 7.465 9.055 1.00 20.54 H new ATOM 1522 N SER A 95 0.562 8.139 11.232 1.00 52.00 N ATOM 1523 CA SER A 95 -0.397 9.113 11.742 1.00 2.45 C ATOM 1524 C SER A 95 -1.477 8.391 12.558 1.00 23.12 C ATOM 1525 O SER A 95 -2.560 8.081 12.047 1.00 61.53 O ATOM 1526 CB SER A 95 -0.938 10.004 10.615 1.00 75.14 C ATOM 1527 OG SER A 95 -0.486 11.330 10.775 1.00 61.23 O ATOM 0 H SER A 95 0.201 7.567 10.468 1.00 52.00 H new ATOM 0 HA SER A 95 0.097 9.804 12.425 1.00 2.45 H new ATOM 0 HB2 SER A 95 -0.613 9.617 9.649 1.00 75.14 H new ATOM 0 HB3 SER A 95 -2.028 9.982 10.617 1.00 75.14 H new ATOM 0 HG SER A 95 -0.838 11.885 10.048 1.00 61.23 H new ATOM 1533 N PRO A 96 -1.248 8.132 13.861 1.00 15.43 N ATOM 1534 CA PRO A 96 -2.236 7.449 14.694 1.00 33.13 C ATOM 1535 C PRO A 96 -3.520 8.267 14.873 1.00 41.32 C ATOM 1536 O PRO A 96 -4.479 7.768 15.449 1.00 2.05 O ATOM 1537 CB PRO A 96 -1.524 7.180 16.032 1.00 75.31 C ATOM 1538 CG PRO A 96 -0.463 8.271 16.105 1.00 15.03 C ATOM 1539 CD PRO A 96 -0.065 8.456 14.648 1.00 74.12 C ATOM 0 HA PRO A 96 -2.573 6.523 14.228 1.00 33.13 H new ATOM 0 HB2 PRO A 96 -2.216 7.238 16.872 1.00 75.31 H new ATOM 0 HB3 PRO A 96 -1.078 6.186 16.055 1.00 75.31 H new ATOM 0 HG2 PRO A 96 -0.858 9.191 16.536 1.00 15.03 H new ATOM 0 HG3 PRO A 96 0.385 7.970 16.720 1.00 15.03 H new ATOM 0 HD2 PRO A 96 0.260 9.479 14.460 1.00 74.12 H new ATOM 0 HD3 PRO A 96 0.768 7.804 14.386 1.00 74.12 H new ATOM 1547 N LYS A 97 -3.548 9.516 14.411 1.00 1.31 N ATOM 1548 CA LYS A 97 -4.689 10.418 14.430 1.00 4.01 C ATOM 1549 C LYS A 97 -5.627 10.149 13.257 1.00 20.44 C ATOM 1550 O LYS A 97 -6.842 10.127 13.441 1.00 61.44 O ATOM 1551 CB LYS A 97 -4.180 11.865 14.339 1.00 75.12 C ATOM 1552 CG LYS A 97 -3.097 12.199 15.375 1.00 12.13 C ATOM 1553 CD LYS A 97 -2.672 13.661 15.219 1.00 34.44 C ATOM 1554 CE LYS A 97 -1.586 14.019 16.237 1.00 34.54 C ATOM 1555 NZ LYS A 97 -1.313 15.467 16.232 1.00 44.13 N ATOM 0 H LYS A 97 -2.725 9.947 13.990 1.00 1.31 H new ATOM 0 HA LYS A 97 -5.241 10.258 15.356 1.00 4.01 H new ATOM 0 HB2 LYS A 97 -3.782 12.040 13.339 1.00 75.12 H new ATOM 0 HB3 LYS A 97 -5.020 12.546 14.471 1.00 75.12 H new ATOM 0 HG2 LYS A 97 -3.477 12.025 16.382 1.00 12.13 H new ATOM 0 HG3 LYS A 97 -2.237 11.543 15.241 1.00 12.13 H new ATOM 0 HD2 LYS A 97 -2.301 13.831 14.208 1.00 34.44 H new ATOM 0 HD3 LYS A 97 -3.535 14.313 15.356 1.00 34.44 H new ATOM 0 HE2 LYS A 97 -1.900 13.708 17.233 1.00 34.54 H new ATOM 0 HE3 LYS A 97 -0.672 13.472 16.006 1.00 34.54 H new ATOM 0 HZ1 LYS A 97 -0.573 15.683 16.931 1.00 44.13 H new ATOM 0 HZ2 LYS A 97 -0.991 15.756 15.286 1.00 44.13 H new ATOM 0 HZ3 LYS A 97 -2.181 15.985 16.476 1.00 44.13 H new ATOM 1569 N ASP A 98 -5.081 9.987 12.045 1.00 21.25 N ATOM 1570 CA ASP A 98 -5.900 9.929 10.830 1.00 40.01 C ATOM 1571 C ASP A 98 -6.592 8.571 10.717 1.00 14.02 C ATOM 1572 O ASP A 98 -7.739 8.523 10.264 1.00 44.13 O ATOM 1573 CB ASP A 98 -5.100 10.290 9.561 1.00 71.44 C ATOM 1574 CG ASP A 98 -5.160 11.783 9.191 1.00 52.42 C ATOM 1575 OD1 ASP A 98 -5.241 12.624 10.129 1.00 15.15 O ATOM 1576 OD2 ASP A 98 -5.156 12.132 7.991 1.00 14.34 O ATOM 0 H ASP A 98 -4.079 9.894 11.881 1.00 21.25 H new ATOM 0 HA ASP A 98 -6.674 10.692 10.914 1.00 40.01 H new ATOM 0 HB2 ASP A 98 -4.058 10.003 9.706 1.00 71.44 H new ATOM 0 HB3 ASP A 98 -5.479 9.703 8.725 1.00 71.44 H new ATOM 1581 N GLY A 99 -5.947 7.497 11.195 1.00 0.22 N ATOM 1582 CA GLY A 99 -6.523 6.151 11.238 1.00 63.41 C ATOM 1583 C GLY A 99 -5.799 5.120 10.367 1.00 53.41 C ATOM 1584 O GLY A 99 -6.438 4.169 9.920 1.00 62.34 O ATOM 0 H GLY A 99 -4.998 7.543 11.567 1.00 0.22 H new ATOM 0 HA2 GLY A 99 -6.520 5.801 12.270 1.00 63.41 H new ATOM 0 HA3 GLY A 99 -7.565 6.206 10.923 1.00 63.41 H new ATOM 1588 N ASN A 100 -4.518 5.336 10.051 1.00 75.51 N ATOM 1589 CA ASN A 100 -3.767 4.528 9.079 1.00 2.40 C ATOM 1590 C ASN A 100 -3.464 3.124 9.634 1.00 35.53 C ATOM 1591 O ASN A 100 -3.535 2.971 10.857 1.00 73.44 O ATOM 1592 CB ASN A 100 -2.456 5.234 8.688 1.00 54.01 C ATOM 1593 CG ASN A 100 -2.534 6.753 8.639 1.00 0.42 C ATOM 1594 OD1 ASN A 100 -1.820 7.437 9.352 1.00 34.13 O ATOM 1595 ND2 ASN A 100 -3.433 7.368 7.897 1.00 32.21 N ATOM 0 H ASN A 100 -3.965 6.085 10.467 1.00 75.51 H new ATOM 0 HA ASN A 100 -4.389 4.416 8.191 1.00 2.40 H new ATOM 0 HB2 ASN A 100 -1.681 4.948 9.399 1.00 54.01 H new ATOM 0 HB3 ASN A 100 -2.142 4.869 7.710 1.00 54.01 H new ATOM 0 HD21 ASN A 100 -3.514 8.384 7.932 1.00 32.21 H new ATOM 0 HD22 ASN A 100 -4.048 6.828 7.288 1.00 32.21 H new ATOM 1602 N SER A 101 -3.016 2.125 8.847 1.00 63.51 N ATOM 1603 CA SER A 101 -2.964 0.748 9.348 1.00 34.50 C ATOM 1604 C SER A 101 -1.565 0.159 9.178 1.00 12.34 C ATOM 1605 O SER A 101 -1.050 0.010 8.072 1.00 61.25 O ATOM 1606 CB SER A 101 -3.974 -0.113 8.582 1.00 74.31 C ATOM 1607 OG SER A 101 -5.233 0.535 8.423 1.00 62.24 O ATOM 0 H SER A 101 -2.694 2.246 7.887 1.00 63.51 H new ATOM 0 HA SER A 101 -3.211 0.757 10.410 1.00 34.50 H new ATOM 0 HB2 SER A 101 -3.568 -0.357 7.600 1.00 74.31 H new ATOM 0 HB3 SER A 101 -4.118 -1.055 9.111 1.00 74.31 H new ATOM 0 HG SER A 101 -5.842 -0.051 7.928 1.00 62.24 H new ATOM 1613 N ASP A 102 -0.995 -0.282 10.289 1.00 44.35 N ATOM 1614 CA ASP A 102 0.337 -0.877 10.371 1.00 71.44 C ATOM 1615 C ASP A 102 0.188 -2.396 10.319 1.00 15.13 C ATOM 1616 O ASP A 102 -0.138 -3.033 11.326 1.00 5.04 O ATOM 1617 CB ASP A 102 1.107 -0.388 11.612 1.00 72.35 C ATOM 1618 CG ASP A 102 2.603 -0.744 11.582 1.00 2.44 C ATOM 1619 OD1 ASP A 102 2.982 -1.707 10.874 1.00 22.10 O ATOM 1620 OD2 ASP A 102 3.394 -0.059 12.274 1.00 63.32 O ATOM 0 H ASP A 102 -1.462 -0.235 11.194 1.00 44.35 H new ATOM 0 HA ASP A 102 0.941 -0.557 9.522 1.00 71.44 H new ATOM 0 HB2 ASP A 102 1.000 0.694 11.694 1.00 72.35 H new ATOM 0 HB3 ASP A 102 0.656 -0.821 12.505 1.00 72.35 H new ATOM 1625 N LYS A 103 0.338 -2.958 9.118 1.00 55.43 N ATOM 1626 CA LYS A 103 0.397 -4.411 8.849 1.00 64.33 C ATOM 1627 C LYS A 103 1.738 -4.752 8.191 1.00 44.01 C ATOM 1628 O LYS A 103 2.671 -3.953 8.300 1.00 2.43 O ATOM 1629 CB LYS A 103 -0.830 -4.875 8.041 1.00 64.24 C ATOM 1630 CG LYS A 103 -0.936 -4.201 6.671 1.00 72.34 C ATOM 1631 CD LYS A 103 -1.912 -3.014 6.723 1.00 20.30 C ATOM 1632 CE LYS A 103 -1.801 -2.103 5.503 1.00 12.14 C ATOM 1633 NZ LYS A 103 -0.617 -1.228 5.563 1.00 24.30 N ATOM 0 H LYS A 103 0.426 -2.400 8.269 1.00 55.43 H new ATOM 0 HA LYS A 103 0.350 -4.967 9.785 1.00 64.33 H new ATOM 0 HB2 LYS A 103 -0.781 -5.955 7.905 1.00 64.24 H new ATOM 0 HB3 LYS A 103 -1.734 -4.667 8.613 1.00 64.24 H new ATOM 0 HG2 LYS A 103 0.048 -3.856 6.353 1.00 72.34 H new ATOM 0 HG3 LYS A 103 -1.275 -4.925 5.930 1.00 72.34 H new ATOM 0 HD2 LYS A 103 -2.932 -3.391 6.798 1.00 20.30 H new ATOM 0 HD3 LYS A 103 -1.721 -2.432 7.624 1.00 20.30 H new ATOM 0 HE2 LYS A 103 -1.754 -2.712 4.601 1.00 12.14 H new ATOM 0 HE3 LYS A 103 -2.699 -1.490 5.427 1.00 12.14 H new ATOM 0 HZ1 LYS A 103 -0.630 -0.571 4.757 1.00 24.30 H new ATOM 0 HZ2 LYS A 103 -0.630 -0.687 6.451 1.00 24.30 H new ATOM 0 HZ3 LYS A 103 0.245 -1.808 5.523 1.00 24.30 H new ATOM 1647 N ARG A 104 1.882 -5.882 7.491 1.00 14.13 N ATOM 1648 CA ARG A 104 3.144 -6.216 6.829 1.00 10.03 C ATOM 1649 C ARG A 104 2.936 -6.847 5.450 1.00 70.45 C ATOM 1650 O ARG A 104 2.839 -8.064 5.309 1.00 21.31 O ATOM 1651 CB ARG A 104 4.042 -7.028 7.786 1.00 43.13 C ATOM 1652 CG ARG A 104 3.336 -8.240 8.419 1.00 72.45 C ATOM 1653 CD ARG A 104 4.263 -9.034 9.338 1.00 63.43 C ATOM 1654 NE ARG A 104 5.211 -9.852 8.565 1.00 54.41 N ATOM 1655 CZ ARG A 104 6.366 -10.339 9.020 1.00 1.34 C ATOM 1656 NH1 ARG A 104 6.720 -10.180 10.291 1.00 32.32 N ATOM 1657 NH2 ARG A 104 7.161 -10.975 8.171 1.00 41.34 N ATOM 0 H ARG A 104 1.144 -6.576 7.369 1.00 14.13 H new ATOM 0 HA ARG A 104 3.684 -5.295 6.607 1.00 10.03 H new ATOM 0 HB2 ARG A 104 4.920 -7.374 7.240 1.00 43.13 H new ATOM 0 HB3 ARG A 104 4.399 -6.372 8.580 1.00 43.13 H new ATOM 0 HG2 ARG A 104 2.470 -7.898 8.986 1.00 72.45 H new ATOM 0 HG3 ARG A 104 2.963 -8.893 7.630 1.00 72.45 H new ATOM 0 HD2 ARG A 104 4.813 -8.349 9.983 1.00 63.43 H new ATOM 0 HD3 ARG A 104 3.670 -9.678 9.988 1.00 63.43 H new ATOM 0 HE ARG A 104 4.964 -10.065 7.599 1.00 54.41 H new ATOM 0 HH11 ARG A 104 6.105 -9.680 10.933 1.00 32.32 H new ATOM 0 HH12 ARG A 104 7.607 -10.558 10.625 1.00 32.32 H new ATOM 0 HH21 ARG A 104 6.884 -11.082 7.195 1.00 41.34 H new ATOM 0 HH22 ARG A 104 8.050 -11.357 8.493 1.00 41.34 H new ATOM 1671 N LEU A 105 2.879 -6.012 4.406 1.00 34.43 N ATOM 1672 CA LEU A 105 2.570 -6.400 3.033 1.00 61.22 C ATOM 1673 C LEU A 105 3.677 -7.355 2.581 1.00 71.35 C ATOM 1674 O LEU A 105 4.839 -6.954 2.517 1.00 11.23 O ATOM 1675 CB LEU A 105 2.531 -5.156 2.109 1.00 14.12 C ATOM 1676 CG LEU A 105 1.284 -4.260 2.164 1.00 13.03 C ATOM 1677 CD1 LEU A 105 0.062 -4.924 1.575 1.00 44.14 C ATOM 1678 CD2 LEU A 105 1.073 -3.671 3.546 1.00 31.41 C ATOM 0 H LEU A 105 3.054 -5.012 4.502 1.00 34.43 H new ATOM 0 HA LEU A 105 1.592 -6.878 2.980 1.00 61.22 H new ATOM 0 HB2 LEU A 105 3.398 -4.538 2.343 1.00 14.12 H new ATOM 0 HB3 LEU A 105 2.652 -5.499 1.081 1.00 14.12 H new ATOM 0 HG LEU A 105 1.468 -3.407 1.511 1.00 13.03 H new ATOM 0 HD11 LEU A 105 -0.788 -4.245 1.641 1.00 44.14 H new ATOM 0 HD12 LEU A 105 0.250 -5.170 0.530 1.00 44.14 H new ATOM 0 HD13 LEU A 105 -0.159 -5.837 2.129 1.00 44.14 H new ATOM 0 HD21 LEU A 105 0.181 -3.044 3.542 1.00 31.41 H new ATOM 0 HD22 LEU A 105 0.947 -4.477 4.269 1.00 31.41 H new ATOM 0 HD23 LEU A 105 1.939 -3.069 3.821 1.00 31.41 H new ATOM 1690 N GLU A 106 3.344 -8.599 2.227 1.00 33.41 N ATOM 1691 CA GLU A 106 4.352 -9.622 1.910 1.00 44.05 C ATOM 1692 C GLU A 106 4.144 -10.173 0.502 1.00 32.52 C ATOM 1693 O GLU A 106 4.133 -11.379 0.262 1.00 64.54 O ATOM 1694 CB GLU A 106 4.438 -10.697 3.009 1.00 12.22 C ATOM 1695 CG GLU A 106 5.902 -11.087 3.264 1.00 45.21 C ATOM 1696 CD GLU A 106 6.147 -11.787 4.602 1.00 54.34 C ATOM 1697 OE1 GLU A 106 6.086 -11.102 5.649 1.00 52.24 O ATOM 1698 OE2 GLU A 106 6.555 -12.974 4.592 1.00 12.33 O ATOM 0 H GLU A 106 2.381 -8.926 2.152 1.00 33.41 H new ATOM 0 HA GLU A 106 5.337 -9.154 1.901 1.00 44.05 H new ATOM 0 HB2 GLU A 106 3.989 -10.322 3.929 1.00 12.22 H new ATOM 0 HB3 GLU A 106 3.867 -11.577 2.711 1.00 12.22 H new ATOM 0 HG2 GLU A 106 6.236 -11.742 2.459 1.00 45.21 H new ATOM 0 HG3 GLU A 106 6.517 -10.188 3.220 1.00 45.21 H new ATOM 1705 N LYS A 107 3.983 -9.255 -0.452 1.00 10.20 N ATOM 1706 CA LYS A 107 3.634 -9.510 -1.842 1.00 23.53 C ATOM 1707 C LYS A 107 2.232 -10.063 -1.996 1.00 13.24 C ATOM 1708 O LYS A 107 1.485 -9.999 -1.028 1.00 10.00 O ATOM 1709 CB LYS A 107 4.706 -10.406 -2.462 1.00 5.33 C ATOM 1710 CG LYS A 107 5.003 -9.983 -3.903 1.00 31.13 C ATOM 1711 CD LYS A 107 6.180 -9.017 -3.907 1.00 30.42 C ATOM 1712 CE LYS A 107 6.110 -7.971 -5.012 1.00 54.32 C ATOM 1713 NZ LYS A 107 7.220 -8.160 -5.982 1.00 22.42 N ATOM 0 H LYS A 107 4.100 -8.260 -0.260 1.00 10.20 H new ATOM 0 HA LYS A 107 3.615 -8.566 -2.387 1.00 23.53 H new ATOM 0 HB2 LYS A 107 5.618 -10.353 -1.868 1.00 5.33 H new ATOM 0 HB3 LYS A 107 4.373 -11.444 -2.444 1.00 5.33 H new ATOM 0 HG2 LYS A 107 5.232 -10.858 -4.512 1.00 31.13 H new ATOM 0 HG3 LYS A 107 4.126 -9.509 -4.344 1.00 31.13 H new ATOM 0 HD2 LYS A 107 6.227 -8.511 -2.943 1.00 30.42 H new ATOM 0 HD3 LYS A 107 7.104 -9.585 -4.014 1.00 30.42 H new ATOM 0 HE2 LYS A 107 5.153 -8.043 -5.528 1.00 54.32 H new ATOM 0 HE3 LYS A 107 6.164 -6.972 -4.579 1.00 54.32 H new ATOM 0 HZ1 LYS A 107 7.325 -7.303 -6.561 1.00 22.42 H new ATOM 0 HZ2 LYS A 107 8.105 -8.339 -5.466 1.00 22.42 H new ATOM 0 HZ3 LYS A 107 7.008 -8.970 -6.598 1.00 22.42 H new ATOM 1727 N TYR A 108 1.803 -10.454 -3.195 1.00 53.22 N ATOM 1728 CA TYR A 108 0.524 -11.119 -3.396 1.00 63.43 C ATOM 1729 C TYR A 108 0.822 -12.600 -3.554 1.00 22.50 C ATOM 1730 O TYR A 108 1.320 -13.028 -4.599 1.00 51.23 O ATOM 1731 CB TYR A 108 -0.239 -10.517 -4.578 1.00 41.35 C ATOM 1732 CG TYR A 108 -1.647 -11.060 -4.741 1.00 4.32 C ATOM 1733 CD1 TYR A 108 -1.883 -12.249 -5.453 1.00 54.01 C ATOM 1734 CD2 TYR A 108 -2.728 -10.373 -4.167 1.00 45.31 C ATOM 1735 CE1 TYR A 108 -3.194 -12.752 -5.590 1.00 10.44 C ATOM 1736 CE2 TYR A 108 -4.036 -10.862 -4.298 1.00 31.43 C ATOM 1737 CZ TYR A 108 -4.279 -12.055 -5.010 1.00 43.41 C ATOM 1738 OH TYR A 108 -5.561 -12.490 -5.155 1.00 33.30 O ATOM 0 H TYR A 108 2.336 -10.317 -4.054 1.00 53.22 H new ATOM 0 HA TYR A 108 -0.141 -10.975 -2.544 1.00 63.43 H new ATOM 0 HB2 TYR A 108 -0.289 -9.435 -4.453 1.00 41.35 H new ATOM 0 HB3 TYR A 108 0.321 -10.706 -5.494 1.00 41.35 H new ATOM 0 HD1 TYR A 108 -1.055 -12.781 -5.898 1.00 54.01 H new ATOM 0 HD2 TYR A 108 -2.551 -9.459 -3.619 1.00 45.31 H new ATOM 0 HE1 TYR A 108 -3.368 -13.667 -6.136 1.00 10.44 H new ATOM 0 HE2 TYR A 108 -4.859 -10.324 -3.852 1.00 31.43 H new ATOM 0 HH TYR A 108 -6.168 -11.881 -4.685 1.00 33.30 H new ATOM 1748 N ASN A 109 0.610 -13.359 -2.481 1.00 74.54 N ATOM 1749 CA ASN A 109 0.806 -14.804 -2.428 1.00 64.44 C ATOM 1750 C ASN A 109 -0.405 -15.470 -3.070 1.00 4.22 C ATOM 1751 O ASN A 109 -1.289 -15.958 -2.365 1.00 73.12 O ATOM 1752 CB ASN A 109 1.016 -15.286 -0.985 1.00 4.12 C ATOM 1753 CG ASN A 109 2.265 -14.689 -0.368 1.00 63.35 C ATOM 1754 OD1 ASN A 109 2.174 -13.811 0.477 1.00 25.11 O ATOM 1755 ND2 ASN A 109 3.444 -15.120 -0.778 1.00 25.42 N ATOM 0 H ASN A 109 0.286 -12.971 -1.595 1.00 74.54 H new ATOM 0 HA ASN A 109 1.708 -15.076 -2.977 1.00 64.44 H new ATOM 0 HB2 ASN A 109 0.149 -15.017 -0.382 1.00 4.12 H new ATOM 0 HB3 ASN A 109 1.088 -16.374 -0.972 1.00 4.12 H new ATOM 0 HD21 ASN A 109 4.297 -14.719 -0.388 1.00 25.42 H new ATOM 0 HD22 ASN A 109 3.501 -15.854 -1.484 1.00 25.42 H new ATOM 1762 N ASP A 110 -0.460 -15.413 -4.398 1.00 23.21 N ATOM 1763 CA ASP A 110 -1.514 -15.975 -5.234 1.00 22.32 C ATOM 1764 C ASP A 110 -1.601 -17.468 -5.017 1.00 73.23 C ATOM 1765 O ASP A 110 -2.679 -17.948 -4.618 1.00 43.02 O ATOM 1766 CB ASP A 110 -1.218 -15.700 -6.709 1.00 30.22 C ATOM 1767 CG ASP A 110 -2.171 -16.467 -7.621 1.00 72.35 C ATOM 1768 OD1 ASP A 110 -3.408 -16.348 -7.476 1.00 3.00 O ATOM 1769 OD2 ASP A 110 -1.676 -17.127 -8.563 1.00 70.42 O ATOM 0 H ASP A 110 0.265 -14.951 -4.946 1.00 23.21 H new ATOM 0 HA ASP A 110 -2.461 -15.509 -4.961 1.00 22.32 H new ATOM 0 HB2 ASP A 110 -1.305 -14.631 -6.906 1.00 30.22 H new ATOM 0 HB3 ASP A 110 -0.190 -15.983 -6.934 1.00 30.22 H new TER 1774 ASP A 110