USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 90 GLN : amide:sc= 0.132 X(o=0.14,f=-0.12) USER MOD Set 1.2: A 91 GLN : amide:sc= 0.00769 X(o=0.14,f=-0.16) USER MOD Set 2.1: A 69 ASN : amide:sc= -0.195 K(o=-0.97,f=-2.2) USER MOD Set 2.2: A 100 MET CE :methyl -176:sc= -0.772 (180deg=-0.939) USER MOD Set 3.1: A 30 HIS : no HD1:sc= 0.239 K(o=-0.013,f=-0.54) USER MOD Set 3.2: A 37 CYS SG : rot -120:sc= -0.252 USER MOD Set 4.1: A 21 THR OG1 : rot 78:sc= 0.703 USER MOD Set 4.2: A 41 SER OG : rot -141:sc= 0.157 USER MOD Set 5.1: A 16 CYS SG : rot 176:sc= -0.166 USER MOD Set 5.2: A 59 TYR OH : rot -22:sc= 0.347 USER MOD Set 6.1: A 14 ASN : amide:sc= 0.571 K(o=1.6,f=-2.2) USER MOD Set 6.2: A 15 LYS NZ :NH3+ -112:sc= 1.01 (180deg=0.00329) USER MOD Single : A 1 SER N :NH3+ 135:sc= 0.00306 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-1.4) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 24:sc= -0.93 USER MOD Single : A 19 MET CE :methyl -127:sc= -0.662 (180deg=-0.881) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.294 F(o=-2.1!,f=-0.29) USER MOD Single : A 26 THR OG1 : rot 140:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-0.88) USER MOD Single : A 43 GLN : amide:sc= -0.0723 K(o=-0.072,f=-2.4!) USER MOD Single : A 47 CYS SG : rot 80:sc= 0.763 USER MOD Single : A 54 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.42) USER MOD Single : A 55 THR OG1 : rot -12:sc= 1.3 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.251 (180deg=-0.735) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.601 X(o=-0.6,f=-0.84) USER MOD Single : A 65 SER OG : rot 140:sc= -0.0287 USER MOD Single : A 68 SER OG : rot -47:sc= 1.15 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= 0.904 (180deg=-0.0167) USER MOD Single : A 75 ASN : amide:sc= -2.04! C(o=-2!,f=-4.1!) USER MOD Single : A 81 ASN : amide:sc= -0.0321 K(o=-0.032,f=-0.85) USER MOD Single : A 84 CYS SG : rot -31:sc= 0.032 USER MOD Single : A 88 THR OG1 : rot -170:sc= -1.19! USER MOD Single : A 95 MET CE :methyl -146:sc= -0.139 (180deg=-0.429) USER MOD Single : A 96 THR OG1 : rot 126:sc= 0.103 USER MOD Single : A 97 SER OG : rot 47:sc= 0.383 USER MOD Single : A 102 SER OG : rot -3:sc= 0.191 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -160:sc= -0.114 (180deg=-0.527) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.538 0.518 15.437 1.00 5.51 N ATOM 2 CA SER A 1 -15.888 1.506 14.530 1.00 35.01 C ATOM 3 C SER A 1 -15.091 2.538 15.351 1.00 34.33 C ATOM 4 O SER A 1 -15.607 3.058 16.346 1.00 61.05 O ATOM 5 CB SER A 1 -16.954 2.227 13.663 1.00 11.35 C ATOM 6 OG SER A 1 -17.746 1.299 12.934 1.00 41.11 O ATOM 0 H1 SER A 1 -17.522 0.366 15.137 1.00 5.51 H new ATOM 0 H2 SER A 1 -16.021 -0.383 15.396 1.00 5.51 H new ATOM 0 H3 SER A 1 -16.525 0.881 16.412 1.00 5.51 H new ATOM 0 HA SER A 1 -15.203 0.973 13.871 1.00 35.01 H new ATOM 0 HB2 SER A 1 -17.597 2.832 14.303 1.00 11.35 H new ATOM 0 HB3 SER A 1 -16.461 2.909 12.970 1.00 11.35 H new ATOM 0 HG SER A 1 -18.409 1.784 12.399 1.00 41.11 H new ATOM 14 N HIS A 2 -13.840 2.818 14.936 1.00 25.45 N ATOM 15 CA HIS A 2 -12.973 3.840 15.570 1.00 44.21 C ATOM 16 C HIS A 2 -11.896 4.317 14.566 1.00 12.42 C ATOM 17 O HIS A 2 -11.296 3.490 13.871 1.00 32.42 O ATOM 18 CB HIS A 2 -12.308 3.284 16.857 1.00 5.32 C ATOM 19 CG HIS A 2 -11.566 4.328 17.662 1.00 34.44 C ATOM 20 ND1 HIS A 2 -10.205 4.500 17.602 1.00 52.25 N ATOM 21 CD2 HIS A 2 -12.013 5.258 18.547 1.00 1.52 C ATOM 22 CE1 HIS A 2 -9.844 5.478 18.404 1.00 4.24 C ATOM 23 NE2 HIS A 2 -10.919 5.951 18.989 1.00 33.32 N ATOM 0 H HIS A 2 -13.398 2.342 14.150 1.00 25.45 H new ATOM 0 HA HIS A 2 -13.593 4.690 15.854 1.00 44.21 H new ATOM 0 HB2 HIS A 2 -13.076 2.833 17.485 1.00 5.32 H new ATOM 0 HB3 HIS A 2 -11.614 2.490 16.582 1.00 5.32 H new ATOM 0 HD2 HIS A 2 -13.038 5.419 18.845 1.00 1.52 H new ATOM 0 HE1 HIS A 2 -8.835 5.831 18.555 1.00 4.24 H new ATOM 0 HE2 HIS A 2 -10.936 6.714 19.666 1.00 33.32 H new ATOM 32 N MET A 3 -11.640 5.645 14.545 1.00 52.22 N ATOM 33 CA MET A 3 -10.787 6.321 13.535 1.00 51.51 C ATOM 34 C MET A 3 -11.384 6.189 12.105 1.00 72.41 C ATOM 35 O MET A 3 -11.120 5.196 11.412 1.00 64.12 O ATOM 36 CB MET A 3 -9.305 5.838 13.569 1.00 24.13 C ATOM 37 CG MET A 3 -8.568 6.137 14.876 1.00 31.22 C ATOM 38 SD MET A 3 -6.858 5.552 14.852 1.00 73.41 S ATOM 39 CE MET A 3 -6.259 6.144 16.435 1.00 30.52 C ATOM 0 H MET A 3 -12.024 6.288 15.238 1.00 52.22 H new ATOM 0 HA MET A 3 -10.777 7.377 13.805 1.00 51.51 H new ATOM 0 HB2 MET A 3 -9.283 4.763 13.392 1.00 24.13 H new ATOM 0 HB3 MET A 3 -8.765 6.307 12.747 1.00 24.13 H new ATOM 0 HG2 MET A 3 -8.579 7.212 15.059 1.00 31.22 H new ATOM 0 HG3 MET A 3 -9.098 5.667 15.705 1.00 31.22 H new ATOM 0 HE1 MET A 3 -5.215 5.857 16.560 1.00 30.52 H new ATOM 0 HE2 MET A 3 -6.343 7.230 16.473 1.00 30.52 H new ATOM 0 HE3 MET A 3 -6.854 5.706 17.236 1.00 30.52 H new ATOM 49 N PRO A 4 -12.227 7.174 11.656 1.00 43.11 N ATOM 50 CA PRO A 4 -12.801 7.175 10.284 1.00 74.12 C ATOM 51 C PRO A 4 -11.734 7.494 9.196 1.00 51.41 C ATOM 52 O PRO A 4 -10.704 8.125 9.482 1.00 52.13 O ATOM 53 CB PRO A 4 -13.890 8.281 10.368 1.00 24.12 C ATOM 54 CG PRO A 4 -13.378 9.228 11.412 1.00 71.23 C ATOM 55 CD PRO A 4 -12.685 8.356 12.442 1.00 1.20 C ATOM 0 HA PRO A 4 -13.195 6.202 9.989 1.00 74.12 H new ATOM 0 HB2 PRO A 4 -14.024 8.781 9.409 1.00 24.12 H new ATOM 0 HB3 PRO A 4 -14.858 7.866 10.648 1.00 24.12 H new ATOM 0 HG2 PRO A 4 -12.686 9.952 10.981 1.00 71.23 H new ATOM 0 HG3 PRO A 4 -14.193 9.795 11.862 1.00 71.23 H new ATOM 0 HD2 PRO A 4 -11.848 8.876 12.908 1.00 1.20 H new ATOM 0 HD3 PRO A 4 -13.365 8.065 13.243 1.00 1.20 H new ATOM 63 N VAL A 5 -11.986 7.054 7.952 1.00 52.21 N ATOM 64 CA VAL A 5 -11.093 7.339 6.802 1.00 34.42 C ATOM 65 C VAL A 5 -11.284 8.797 6.286 1.00 0.10 C ATOM 66 O VAL A 5 -12.369 9.376 6.450 1.00 21.43 O ATOM 67 CB VAL A 5 -11.311 6.299 5.636 1.00 62.45 C ATOM 68 CG1 VAL A 5 -10.932 4.876 6.098 1.00 42.33 C ATOM 69 CG2 VAL A 5 -12.753 6.345 5.065 1.00 11.44 C ATOM 0 H VAL A 5 -12.805 6.496 7.710 1.00 52.21 H new ATOM 0 HA VAL A 5 -10.066 7.239 7.153 1.00 34.42 H new ATOM 0 HB VAL A 5 -10.647 6.583 4.820 1.00 62.45 H new ATOM 0 HG11 VAL A 5 -11.089 4.174 5.279 1.00 42.33 H new ATOM 0 HG12 VAL A 5 -9.884 4.857 6.396 1.00 42.33 H new ATOM 0 HG13 VAL A 5 -11.555 4.591 6.946 1.00 42.33 H new ATOM 0 HG21 VAL A 5 -12.851 5.611 4.266 1.00 11.44 H new ATOM 0 HG22 VAL A 5 -13.466 6.116 5.857 1.00 11.44 H new ATOM 0 HG23 VAL A 5 -12.956 7.340 4.670 1.00 11.44 H new ATOM 79 N PRO A 6 -10.228 9.427 5.680 1.00 23.13 N ATOM 80 CA PRO A 6 -10.318 10.819 5.165 1.00 73.02 C ATOM 81 C PRO A 6 -11.157 10.936 3.871 1.00 4.14 C ATOM 82 O PRO A 6 -11.324 9.969 3.115 1.00 33.21 O ATOM 83 CB PRO A 6 -8.835 11.174 4.887 1.00 63.01 C ATOM 84 CG PRO A 6 -8.223 9.862 4.511 1.00 32.21 C ATOM 85 CD PRO A 6 -8.866 8.855 5.443 1.00 21.31 C ATOM 0 HA PRO A 6 -10.818 11.484 5.870 1.00 73.02 H new ATOM 0 HB2 PRO A 6 -8.742 11.905 4.084 1.00 63.01 H new ATOM 0 HB3 PRO A 6 -8.354 11.603 5.766 1.00 63.01 H new ATOM 0 HG2 PRO A 6 -8.421 9.618 3.467 1.00 32.21 H new ATOM 0 HG3 PRO A 6 -7.140 9.880 4.635 1.00 32.21 H new ATOM 0 HD2 PRO A 6 -8.919 7.865 4.991 1.00 21.31 H new ATOM 0 HD3 PRO A 6 -8.306 8.752 6.372 1.00 21.31 H new ATOM 93 N VAL A 7 -11.681 12.139 3.645 1.00 4.41 N ATOM 94 CA VAL A 7 -12.311 12.526 2.375 1.00 12.13 C ATOM 95 C VAL A 7 -11.229 12.992 1.366 1.00 51.41 C ATOM 96 O VAL A 7 -10.062 13.202 1.745 1.00 34.12 O ATOM 97 CB VAL A 7 -13.380 13.658 2.605 1.00 54.13 C ATOM 98 CG1 VAL A 7 -14.513 13.165 3.543 1.00 75.30 C ATOM 99 CG2 VAL A 7 -12.728 14.962 3.149 1.00 54.53 C ATOM 0 H VAL A 7 -11.682 12.883 4.343 1.00 4.41 H new ATOM 0 HA VAL A 7 -12.824 11.658 1.962 1.00 12.13 H new ATOM 0 HB VAL A 7 -13.821 13.896 1.637 1.00 54.13 H new ATOM 0 HG11 VAL A 7 -15.240 13.964 3.687 1.00 75.30 H new ATOM 0 HG12 VAL A 7 -15.006 12.302 3.095 1.00 75.30 H new ATOM 0 HG13 VAL A 7 -14.090 12.881 4.507 1.00 75.30 H new ATOM 0 HG21 VAL A 7 -13.498 15.720 3.295 1.00 54.53 H new ATOM 0 HG22 VAL A 7 -12.238 14.754 4.100 1.00 54.53 H new ATOM 0 HG23 VAL A 7 -11.991 15.326 2.433 1.00 54.53 H new ATOM 109 N THR A 8 -11.610 13.119 0.084 1.00 33.12 N ATOM 110 CA THR A 8 -10.719 13.641 -0.969 1.00 23.32 C ATOM 111 C THR A 8 -10.287 15.098 -0.645 1.00 53.11 C ATOM 112 O THR A 8 -11.061 16.049 -0.822 1.00 42.35 O ATOM 113 CB THR A 8 -11.408 13.568 -2.369 1.00 2.34 C ATOM 114 OG1 THR A 8 -11.808 12.209 -2.639 1.00 42.14 O ATOM 115 CG2 THR A 8 -10.486 14.051 -3.498 1.00 21.43 C ATOM 0 H THR A 8 -12.539 12.865 -0.252 1.00 33.12 H new ATOM 0 HA THR A 8 -9.826 13.016 -1.000 1.00 23.32 H new ATOM 0 HB THR A 8 -12.275 14.228 -2.339 1.00 2.34 H new ATOM 0 HG1 THR A 8 -12.242 12.164 -3.517 1.00 42.14 H new ATOM 0 HG21 THR A 8 -11.010 13.981 -4.451 1.00 21.43 H new ATOM 0 HG22 THR A 8 -10.200 15.087 -3.316 1.00 21.43 H new ATOM 0 HG23 THR A 8 -9.592 13.428 -3.529 1.00 21.43 H new ATOM 123 N CYS A 9 -9.057 15.232 -0.109 1.00 12.23 N ATOM 124 CA CYS A 9 -8.480 16.526 0.324 1.00 1.24 C ATOM 125 C CYS A 9 -8.346 17.513 -0.848 1.00 44.11 C ATOM 126 O CYS A 9 -8.809 18.659 -0.782 1.00 11.25 O ATOM 127 CB CYS A 9 -7.091 16.293 0.959 1.00 33.22 C ATOM 128 SG CYS A 9 -7.105 15.121 2.340 1.00 74.13 S ATOM 0 H CYS A 9 -8.430 14.441 0.038 1.00 12.23 H new ATOM 0 HA CYS A 9 -9.160 16.962 1.057 1.00 1.24 H new ATOM 0 HB2 CYS A 9 -6.408 15.928 0.192 1.00 33.22 H new ATOM 0 HB3 CYS A 9 -6.697 17.247 1.309 1.00 33.22 H new ATOM 0 HG CYS A 9 -8.137 14.337 2.234 1.00 74.13 H new ATOM 134 N ASP A 10 -7.713 17.030 -1.925 1.00 3.22 N ATOM 135 CA ASP A 10 -7.358 17.856 -3.094 1.00 71.51 C ATOM 136 C ASP A 10 -7.145 16.976 -4.354 1.00 30.11 C ATOM 137 O ASP A 10 -7.380 15.759 -4.324 1.00 62.01 O ATOM 138 CB ASP A 10 -6.087 18.685 -2.749 1.00 51.35 C ATOM 139 CG ASP A 10 -4.880 17.806 -2.375 1.00 55.14 C ATOM 140 OD1 ASP A 10 -4.759 17.391 -1.209 1.00 21.22 O ATOM 141 OD2 ASP A 10 -4.066 17.507 -3.255 1.00 71.30 O ATOM 0 H ASP A 10 -7.431 16.054 -2.014 1.00 3.22 H new ATOM 0 HA ASP A 10 -8.176 18.538 -3.326 1.00 71.51 H new ATOM 0 HB2 ASP A 10 -5.824 19.309 -3.603 1.00 51.35 H new ATOM 0 HB3 ASP A 10 -6.312 19.356 -1.920 1.00 51.35 H new ATOM 146 N ALA A 11 -6.691 17.612 -5.455 1.00 13.02 N ATOM 147 CA ALA A 11 -6.451 16.940 -6.755 1.00 64.34 C ATOM 148 C ALA A 11 -5.383 15.816 -6.664 1.00 2.01 C ATOM 149 O ALA A 11 -5.532 14.752 -7.290 1.00 40.14 O ATOM 150 CB ALA A 11 -6.042 17.988 -7.801 1.00 22.50 C ATOM 0 H ALA A 11 -6.479 18.610 -5.470 1.00 13.02 H new ATOM 0 HA ALA A 11 -7.381 16.457 -7.054 1.00 64.34 H new ATOM 0 HB1 ALA A 11 -5.865 17.497 -8.758 1.00 22.50 H new ATOM 0 HB2 ALA A 11 -6.840 18.722 -7.912 1.00 22.50 H new ATOM 0 HB3 ALA A 11 -5.130 18.490 -7.476 1.00 22.50 H new ATOM 156 N VAL A 12 -4.319 16.063 -5.873 1.00 24.11 N ATOM 157 CA VAL A 12 -3.213 15.094 -5.687 1.00 61.32 C ATOM 158 C VAL A 12 -3.691 13.895 -4.845 1.00 21.24 C ATOM 159 O VAL A 12 -3.460 12.743 -5.209 1.00 25.23 O ATOM 160 CB VAL A 12 -1.957 15.735 -4.981 1.00 41.20 C ATOM 161 CG1 VAL A 12 -0.718 14.815 -5.087 1.00 50.12 C ATOM 162 CG2 VAL A 12 -1.670 17.155 -5.517 1.00 11.20 C ATOM 0 H VAL A 12 -4.200 16.930 -5.349 1.00 24.11 H new ATOM 0 HA VAL A 12 -2.915 14.770 -6.684 1.00 61.32 H new ATOM 0 HB VAL A 12 -2.191 15.836 -3.921 1.00 41.20 H new ATOM 0 HG11 VAL A 12 0.129 15.287 -4.590 1.00 50.12 H new ATOM 0 HG12 VAL A 12 -0.933 13.859 -4.609 1.00 50.12 H new ATOM 0 HG13 VAL A 12 -0.477 14.649 -6.137 1.00 50.12 H new ATOM 0 HG21 VAL A 12 -0.798 17.566 -5.009 1.00 11.20 H new ATOM 0 HG22 VAL A 12 -1.476 17.107 -6.589 1.00 11.20 H new ATOM 0 HG23 VAL A 12 -2.533 17.795 -5.333 1.00 11.20 H new ATOM 172 N ARG A 13 -4.376 14.208 -3.719 1.00 2.53 N ATOM 173 CA ARG A 13 -4.879 13.192 -2.756 1.00 22.45 C ATOM 174 C ARG A 13 -5.876 12.213 -3.423 1.00 32.13 C ATOM 175 O ARG A 13 -5.938 11.037 -3.061 1.00 12.21 O ATOM 176 CB ARG A 13 -5.578 13.882 -1.546 1.00 0.50 C ATOM 177 CG ARG A 13 -5.657 13.010 -0.260 1.00 44.12 C ATOM 178 CD ARG A 13 -4.299 12.904 0.466 1.00 11.04 C ATOM 179 NE ARG A 13 -3.832 14.221 0.958 1.00 72.51 N ATOM 180 CZ ARG A 13 -2.911 14.977 0.391 1.00 24.34 C ATOM 181 NH1 ARG A 13 -2.224 14.556 -0.625 1.00 74.24 N ATOM 182 NH2 ARG A 13 -2.674 16.152 0.861 1.00 45.03 N ATOM 0 H ARG A 13 -4.596 15.167 -3.451 1.00 2.53 H new ATOM 0 HA ARG A 13 -4.014 12.626 -2.410 1.00 22.45 H new ATOM 0 HB2 ARG A 13 -5.045 14.803 -1.312 1.00 0.50 H new ATOM 0 HB3 ARG A 13 -6.589 14.165 -1.840 1.00 0.50 H new ATOM 0 HG2 ARG A 13 -6.396 13.435 0.419 1.00 44.12 H new ATOM 0 HG3 ARG A 13 -6.004 12.011 -0.523 1.00 44.12 H new ATOM 0 HD2 ARG A 13 -4.389 12.214 1.305 1.00 11.04 H new ATOM 0 HD3 ARG A 13 -3.556 12.486 -0.213 1.00 11.04 H new ATOM 0 HE ARG A 13 -4.261 14.576 1.813 1.00 72.51 H new ATOM 0 HH11 ARG A 13 -2.391 13.623 -1.002 1.00 74.24 H new ATOM 0 HH12 ARG A 13 -1.517 15.158 -1.047 1.00 74.24 H new ATOM 0 HH21 ARG A 13 -3.197 16.494 1.667 1.00 45.03 H new ATOM 0 HH22 ARG A 13 -1.963 16.741 0.427 1.00 45.03 H new ATOM 196 N ASN A 14 -6.671 12.744 -4.378 1.00 13.23 N ATOM 197 CA ASN A 14 -7.625 11.949 -5.181 1.00 53.31 C ATOM 198 C ASN A 14 -6.894 10.833 -5.945 1.00 20.33 C ATOM 199 O ASN A 14 -7.221 9.651 -5.800 1.00 62.32 O ATOM 200 CB ASN A 14 -8.379 12.869 -6.192 1.00 21.44 C ATOM 201 CG ASN A 14 -9.427 12.138 -7.054 1.00 73.40 C ATOM 202 OD1 ASN A 14 -9.653 12.495 -8.206 1.00 5.41 O ATOM 203 ND2 ASN A 14 -10.092 11.131 -6.510 1.00 34.12 N ATOM 0 H ASN A 14 -6.669 13.736 -4.614 1.00 13.23 H new ATOM 0 HA ASN A 14 -8.346 11.496 -4.501 1.00 53.31 H new ATOM 0 HB2 ASN A 14 -8.873 13.668 -5.639 1.00 21.44 H new ATOM 0 HB3 ASN A 14 -7.649 13.341 -6.850 1.00 21.44 H new ATOM 0 HD21 ASN A 14 -10.804 10.639 -7.050 1.00 34.12 H new ATOM 0 HD22 ASN A 14 -9.892 10.847 -5.551 1.00 34.12 H new ATOM 210 N LYS A 15 -5.886 11.246 -6.734 1.00 53.21 N ATOM 211 CA LYS A 15 -5.126 10.347 -7.618 1.00 64.04 C ATOM 212 C LYS A 15 -4.242 9.372 -6.832 1.00 74.04 C ATOM 213 O LYS A 15 -4.223 8.188 -7.154 1.00 41.42 O ATOM 214 CB LYS A 15 -4.326 11.168 -8.685 1.00 13.40 C ATOM 215 CG LYS A 15 -5.080 11.352 -10.034 1.00 51.32 C ATOM 216 CD LYS A 15 -6.548 11.800 -9.849 1.00 0.30 C ATOM 217 CE LYS A 15 -7.361 11.786 -11.150 1.00 42.22 C ATOM 218 NZ LYS A 15 -8.817 11.914 -10.879 1.00 45.23 N ATOM 0 H LYS A 15 -5.575 12.217 -6.776 1.00 53.21 H new ATOM 0 HA LYS A 15 -5.839 9.724 -8.157 1.00 64.04 H new ATOM 0 HB2 LYS A 15 -4.093 12.150 -8.273 1.00 13.40 H new ATOM 0 HB3 LYS A 15 -3.376 10.669 -8.876 1.00 13.40 H new ATOM 0 HG2 LYS A 15 -4.554 12.090 -10.640 1.00 51.32 H new ATOM 0 HG3 LYS A 15 -5.059 10.413 -10.587 1.00 51.32 H new ATOM 0 HD2 LYS A 15 -7.030 11.147 -9.122 1.00 0.30 H new ATOM 0 HD3 LYS A 15 -6.562 12.807 -9.432 1.00 0.30 H new ATOM 0 HE2 LYS A 15 -7.036 12.603 -11.793 1.00 42.22 H new ATOM 0 HE3 LYS A 15 -7.170 10.859 -11.691 1.00 42.22 H new ATOM 0 HZ1 LYS A 15 -9.295 11.023 -11.123 1.00 45.23 H new ATOM 0 HZ2 LYS A 15 -8.966 12.122 -9.871 1.00 45.23 H new ATOM 0 HZ3 LYS A 15 -9.210 12.687 -11.453 1.00 45.23 H new ATOM 232 N CYS A 16 -3.546 9.860 -5.795 1.00 11.11 N ATOM 233 CA CYS A 16 -2.667 9.020 -4.949 1.00 43.55 C ATOM 234 C CYS A 16 -3.464 7.903 -4.227 1.00 33.14 C ATOM 235 O CYS A 16 -3.037 6.750 -4.206 1.00 2.31 O ATOM 236 CB CYS A 16 -1.894 9.895 -3.944 1.00 10.32 C ATOM 237 SG CYS A 16 -0.824 11.132 -4.710 1.00 50.43 S ATOM 0 H CYS A 16 -3.572 10.841 -5.515 1.00 11.11 H new ATOM 0 HA CYS A 16 -1.946 8.526 -5.600 1.00 43.55 H new ATOM 0 HB2 CYS A 16 -2.609 10.401 -3.295 1.00 10.32 H new ATOM 0 HB3 CYS A 16 -1.288 9.250 -3.309 1.00 10.32 H new ATOM 0 HG CYS A 16 -0.284 11.870 -3.786 1.00 50.43 H new ATOM 243 N ARG A 17 -4.655 8.248 -3.694 1.00 54.20 N ATOM 244 CA ARG A 17 -5.559 7.272 -3.035 1.00 25.11 C ATOM 245 C ARG A 17 -6.080 6.202 -4.032 1.00 3.42 C ATOM 246 O ARG A 17 -5.954 5.005 -3.781 1.00 74.31 O ATOM 247 CB ARG A 17 -6.753 8.013 -2.366 1.00 72.44 C ATOM 248 CG ARG A 17 -7.771 7.101 -1.638 1.00 10.32 C ATOM 249 CD ARG A 17 -8.899 7.906 -0.968 1.00 43.41 C ATOM 250 NE ARG A 17 -9.964 7.043 -0.419 1.00 63.45 N ATOM 251 CZ ARG A 17 -11.021 7.474 0.246 1.00 54.40 C ATOM 252 NH1 ARG A 17 -11.178 8.734 0.518 1.00 23.33 N ATOM 253 NH2 ARG A 17 -11.917 6.633 0.647 1.00 51.40 N ATOM 0 H ARG A 17 -5.018 9.201 -3.706 1.00 54.20 H new ATOM 0 HA ARG A 17 -4.983 6.753 -2.269 1.00 25.11 H new ATOM 0 HB2 ARG A 17 -6.357 8.733 -1.650 1.00 72.44 H new ATOM 0 HB3 ARG A 17 -7.281 8.582 -3.131 1.00 72.44 H new ATOM 0 HG2 ARG A 17 -8.203 6.399 -2.352 1.00 10.32 H new ATOM 0 HG3 ARG A 17 -7.252 6.510 -0.884 1.00 10.32 H new ATOM 0 HD2 ARG A 17 -8.480 8.514 -0.166 1.00 43.41 H new ATOM 0 HD3 ARG A 17 -9.332 8.593 -1.696 1.00 43.41 H new ATOM 0 HE ARG A 17 -9.877 6.037 -0.564 1.00 63.45 H new ATOM 0 HH11 ARG A 17 -10.478 9.412 0.217 1.00 23.33 H new ATOM 0 HH12 ARG A 17 -12.002 9.046 1.033 1.00 23.33 H new ATOM 0 HH21 ARG A 17 -11.807 5.638 0.450 1.00 51.40 H new ATOM 0 HH22 ARG A 17 -12.734 6.964 1.161 1.00 51.40 H new ATOM 267 N GLU A 18 -6.632 6.646 -5.180 1.00 3.40 N ATOM 268 CA GLU A 18 -7.267 5.731 -6.170 1.00 11.43 C ATOM 269 C GLU A 18 -6.234 4.805 -6.869 1.00 51.02 C ATOM 270 O GLU A 18 -6.565 3.675 -7.228 1.00 62.14 O ATOM 271 CB GLU A 18 -8.076 6.528 -7.233 1.00 75.42 C ATOM 272 CG GLU A 18 -7.228 7.437 -8.135 1.00 31.40 C ATOM 273 CD GLU A 18 -8.031 8.169 -9.219 1.00 32.00 C ATOM 274 OE1 GLU A 18 -8.597 9.249 -8.944 1.00 31.23 O ATOM 275 OE2 GLU A 18 -8.095 7.668 -10.361 1.00 44.31 O ATOM 0 H GLU A 18 -6.654 7.629 -5.450 1.00 3.40 H new ATOM 0 HA GLU A 18 -7.951 5.095 -5.608 1.00 11.43 H new ATOM 0 HB2 GLU A 18 -8.620 5.822 -7.860 1.00 75.42 H new ATOM 0 HB3 GLU A 18 -8.820 7.139 -6.721 1.00 75.42 H new ATOM 0 HG2 GLU A 18 -6.720 8.175 -7.514 1.00 31.40 H new ATOM 0 HG3 GLU A 18 -6.455 6.836 -8.614 1.00 31.40 H new ATOM 282 N MET A 19 -4.994 5.304 -7.075 1.00 60.25 N ATOM 283 CA MET A 19 -3.907 4.521 -7.732 1.00 11.42 C ATOM 284 C MET A 19 -3.291 3.450 -6.788 1.00 75.44 C ATOM 285 O MET A 19 -2.852 2.389 -7.249 1.00 21.10 O ATOM 286 CB MET A 19 -2.800 5.447 -8.310 1.00 32.11 C ATOM 287 CG MET A 19 -1.905 6.143 -7.280 1.00 43.42 C ATOM 288 SD MET A 19 -0.572 7.105 -8.046 1.00 33.53 S ATOM 289 CE MET A 19 -1.463 8.395 -8.906 1.00 22.11 C ATOM 0 H MET A 19 -4.715 6.245 -6.798 1.00 60.25 H new ATOM 0 HA MET A 19 -4.374 3.991 -8.562 1.00 11.42 H new ATOM 0 HB2 MET A 19 -2.167 4.855 -8.972 1.00 32.11 H new ATOM 0 HB3 MET A 19 -3.277 6.211 -8.924 1.00 32.11 H new ATOM 0 HG2 MET A 19 -2.514 6.802 -6.662 1.00 43.42 H new ATOM 0 HG3 MET A 19 -1.472 5.394 -6.616 1.00 43.42 H new ATOM 0 HE1 MET A 19 -1.151 8.419 -9.950 1.00 22.11 H new ATOM 0 HE2 MET A 19 -2.533 8.196 -8.852 1.00 22.11 H new ATOM 0 HE3 MET A 19 -1.249 9.357 -8.441 1.00 22.11 H new ATOM 299 N LEU A 20 -3.249 3.741 -5.467 1.00 1.21 N ATOM 300 CA LEU A 20 -2.851 2.742 -4.442 1.00 62.50 C ATOM 301 C LEU A 20 -3.955 1.671 -4.286 1.00 75.05 C ATOM 302 O LEU A 20 -3.660 0.484 -4.131 1.00 23.12 O ATOM 303 CB LEU A 20 -2.553 3.426 -3.080 1.00 34.41 C ATOM 304 CG LEU A 20 -1.324 4.393 -3.039 1.00 12.03 C ATOM 305 CD1 LEU A 20 -1.202 5.096 -1.661 1.00 54.52 C ATOM 306 CD2 LEU A 20 -0.010 3.658 -3.423 1.00 55.15 C ATOM 0 H LEU A 20 -3.485 4.657 -5.084 1.00 1.21 H new ATOM 0 HA LEU A 20 -1.935 2.255 -4.776 1.00 62.50 H new ATOM 0 HB2 LEU A 20 -3.438 3.986 -2.779 1.00 34.41 H new ATOM 0 HB3 LEU A 20 -2.399 2.647 -2.333 1.00 34.41 H new ATOM 0 HG LEU A 20 -1.493 5.169 -3.786 1.00 12.03 H new ATOM 0 HD11 LEU A 20 -0.338 5.760 -1.667 1.00 54.52 H new ATOM 0 HD12 LEU A 20 -2.104 5.676 -1.467 1.00 54.52 H new ATOM 0 HD13 LEU A 20 -1.078 4.346 -0.880 1.00 54.52 H new ATOM 0 HD21 LEU A 20 0.824 4.359 -3.384 1.00 55.15 H new ATOM 0 HD22 LEU A 20 0.169 2.842 -2.722 1.00 55.15 H new ATOM 0 HD23 LEU A 20 -0.100 3.256 -4.432 1.00 55.15 H new ATOM 318 N THR A 21 -5.231 2.116 -4.354 1.00 71.42 N ATOM 319 CA THR A 21 -6.410 1.212 -4.418 1.00 11.10 C ATOM 320 C THR A 21 -6.373 0.345 -5.710 1.00 12.41 C ATOM 321 O THR A 21 -6.780 -0.823 -5.700 1.00 4.31 O ATOM 322 CB THR A 21 -7.769 2.016 -4.375 1.00 13.50 C ATOM 323 OG1 THR A 21 -7.826 2.861 -3.215 1.00 33.13 O ATOM 324 CG2 THR A 21 -9.002 1.089 -4.359 1.00 52.40 C ATOM 0 H THR A 21 -5.475 3.106 -4.366 1.00 71.42 H new ATOM 0 HA THR A 21 -6.360 0.566 -3.541 1.00 11.10 H new ATOM 0 HB THR A 21 -7.794 2.616 -5.285 1.00 13.50 H new ATOM 0 HG1 THR A 21 -7.287 3.665 -3.369 1.00 33.13 H new ATOM 0 HG21 THR A 21 -9.910 1.692 -4.329 1.00 52.40 H new ATOM 0 HG22 THR A 21 -9.005 0.472 -5.258 1.00 52.40 H new ATOM 0 HG23 THR A 21 -8.963 0.447 -3.479 1.00 52.40 H new ATOM 332 N ALA A 22 -5.875 0.941 -6.818 1.00 5.43 N ATOM 333 CA ALA A 22 -5.693 0.254 -8.123 1.00 5.54 C ATOM 334 C ALA A 22 -4.597 -0.837 -8.048 1.00 70.21 C ATOM 335 O ALA A 22 -4.713 -1.890 -8.678 1.00 63.54 O ATOM 336 CB ALA A 22 -5.375 1.271 -9.229 1.00 34.45 C ATOM 0 H ALA A 22 -5.585 1.919 -6.834 1.00 5.43 H new ATOM 0 HA ALA A 22 -6.632 -0.243 -8.368 1.00 5.54 H new ATOM 0 HB1 ALA A 22 -5.245 0.749 -10.177 1.00 34.45 H new ATOM 0 HB2 ALA A 22 -6.196 1.982 -9.316 1.00 34.45 H new ATOM 0 HB3 ALA A 22 -4.458 1.804 -8.980 1.00 34.45 H new ATOM 342 N ALA A 23 -3.541 -0.561 -7.261 1.00 3.13 N ATOM 343 CA ALA A 23 -2.465 -1.537 -6.959 1.00 70.30 C ATOM 344 C ALA A 23 -2.983 -2.718 -6.101 1.00 55.34 C ATOM 345 O ALA A 23 -2.426 -3.818 -6.140 1.00 23.14 O ATOM 346 CB ALA A 23 -1.305 -0.827 -6.250 1.00 32.54 C ATOM 0 H ALA A 23 -3.405 0.345 -6.813 1.00 3.13 H new ATOM 0 HA ALA A 23 -2.113 -1.953 -7.903 1.00 70.30 H new ATOM 0 HB1 ALA A 23 -0.517 -1.548 -6.030 1.00 32.54 H new ATOM 0 HB2 ALA A 23 -0.910 -0.043 -6.895 1.00 32.54 H new ATOM 0 HB3 ALA A 23 -1.663 -0.385 -5.320 1.00 32.54 H new ATOM 352 N LEU A 24 -4.032 -2.458 -5.298 1.00 4.33 N ATOM 353 CA LEU A 24 -4.704 -3.489 -4.468 1.00 13.12 C ATOM 354 C LEU A 24 -5.739 -4.322 -5.282 1.00 24.33 C ATOM 355 O LEU A 24 -5.975 -5.497 -4.975 1.00 20.12 O ATOM 356 CB LEU A 24 -5.377 -2.808 -3.243 1.00 4.53 C ATOM 357 CG LEU A 24 -4.410 -2.043 -2.269 1.00 11.05 C ATOM 358 CD1 LEU A 24 -5.183 -1.279 -1.165 1.00 51.22 C ATOM 359 CD2 LEU A 24 -3.357 -2.999 -1.656 1.00 42.53 C ATOM 0 H LEU A 24 -4.441 -1.529 -5.203 1.00 4.33 H new ATOM 0 HA LEU A 24 -3.946 -4.192 -4.123 1.00 13.12 H new ATOM 0 HB2 LEU A 24 -6.126 -2.105 -3.608 1.00 4.53 H new ATOM 0 HB3 LEU A 24 -5.907 -3.571 -2.673 1.00 4.53 H new ATOM 0 HG LEU A 24 -3.881 -1.299 -2.864 1.00 11.05 H new ATOM 0 HD11 LEU A 24 -4.475 -0.765 -0.515 1.00 51.22 H new ATOM 0 HD12 LEU A 24 -5.849 -0.549 -1.626 1.00 51.22 H new ATOM 0 HD13 LEU A 24 -5.770 -1.985 -0.577 1.00 51.22 H new ATOM 0 HD21 LEU A 24 -2.703 -2.439 -0.987 1.00 42.53 H new ATOM 0 HD22 LEU A 24 -3.862 -3.786 -1.096 1.00 42.53 H new ATOM 0 HD23 LEU A 24 -2.763 -3.446 -2.453 1.00 42.53 H new ATOM 371 N GLN A 25 -6.345 -3.704 -6.324 1.00 71.04 N ATOM 372 CA GLN A 25 -7.369 -4.365 -7.205 1.00 65.42 C ATOM 373 C GLN A 25 -6.778 -4.784 -8.579 1.00 44.54 C ATOM 374 O GLN A 25 -7.526 -5.165 -9.488 1.00 4.22 O ATOM 375 CB GLN A 25 -8.607 -3.435 -7.394 1.00 21.44 C ATOM 376 CG GLN A 25 -8.358 -2.207 -8.286 1.00 50.10 C ATOM 377 CD GLN A 25 -9.543 -1.241 -8.345 1.00 42.52 C ATOM 378 OE1 GLN A 25 -9.564 -0.260 -7.460 1.00 34.20 O flip ATOM 379 NE2 GLN A 25 -10.422 -1.365 -9.190 1.00 32.23 N flip ATOM 0 H GLN A 25 -6.147 -2.738 -6.586 1.00 71.04 H new ATOM 0 HA GLN A 25 -7.688 -5.279 -6.704 1.00 65.42 H new ATOM 0 HB2 GLN A 25 -9.421 -4.019 -7.823 1.00 21.44 H new ATOM 0 HB3 GLN A 25 -8.941 -3.094 -6.414 1.00 21.44 H new ATOM 0 HG2 GLN A 25 -7.483 -1.672 -7.917 1.00 50.10 H new ATOM 0 HG3 GLN A 25 -8.124 -2.544 -9.296 1.00 50.10 H new ATOM 0 HE21 GLN A 25 -10.380 -2.132 -9.861 1.00 32.23 H new ATOM 0 HE22 GLN A 25 -11.196 -0.701 -9.222 1.00 32.23 H new ATOM 388 N THR A 26 -5.433 -4.746 -8.691 1.00 21.31 N ATOM 389 CA THR A 26 -4.686 -5.114 -9.927 1.00 2.53 C ATOM 390 C THR A 26 -5.020 -6.551 -10.416 1.00 35.10 C ATOM 391 O THR A 26 -5.094 -6.807 -11.623 1.00 62.01 O ATOM 392 CB THR A 26 -3.138 -4.970 -9.710 1.00 14.55 C ATOM 393 OG1 THR A 26 -2.419 -5.281 -10.919 1.00 11.50 O ATOM 394 CG2 THR A 26 -2.629 -5.863 -8.559 1.00 14.34 C ATOM 0 H THR A 26 -4.825 -4.458 -7.924 1.00 21.31 H new ATOM 0 HA THR A 26 -5.007 -4.418 -10.702 1.00 2.53 H new ATOM 0 HB THR A 26 -2.954 -3.931 -9.438 1.00 14.55 H new ATOM 0 HG1 THR A 26 -1.674 -4.653 -11.028 1.00 11.50 H new ATOM 0 HG21 THR A 26 -1.553 -5.731 -8.445 1.00 14.34 H new ATOM 0 HG22 THR A 26 -3.129 -5.582 -7.632 1.00 14.34 H new ATOM 0 HG23 THR A 26 -2.844 -6.907 -8.786 1.00 14.34 H new ATOM 402 N ASP A 27 -5.202 -7.484 -9.459 1.00 70.55 N ATOM 403 CA ASP A 27 -5.729 -8.836 -9.731 1.00 23.21 C ATOM 404 C ASP A 27 -7.197 -8.925 -9.230 1.00 54.24 C ATOM 405 O ASP A 27 -8.110 -8.614 -10.002 1.00 73.32 O ATOM 406 CB ASP A 27 -4.803 -9.918 -9.107 1.00 25.42 C ATOM 407 CG ASP A 27 -3.424 -9.985 -9.796 1.00 4.20 C ATOM 408 OD1 ASP A 27 -2.552 -9.142 -9.510 1.00 53.33 O ATOM 409 OD2 ASP A 27 -3.210 -10.868 -10.652 1.00 11.42 O ATOM 0 H ASP A 27 -4.987 -7.320 -8.475 1.00 70.55 H new ATOM 0 HA ASP A 27 -5.738 -9.028 -10.804 1.00 23.21 H new ATOM 0 HB2 ASP A 27 -4.666 -9.706 -8.047 1.00 25.42 H new ATOM 0 HB3 ASP A 27 -5.288 -10.891 -9.177 1.00 25.42 H new ATOM 414 N HIS A 28 -7.424 -9.289 -7.936 1.00 65.43 N ATOM 415 CA HIS A 28 -8.805 -9.359 -7.350 1.00 62.10 C ATOM 416 C HIS A 28 -8.771 -9.666 -5.820 1.00 2.25 C ATOM 417 O HIS A 28 -9.804 -9.973 -5.217 1.00 32.31 O ATOM 418 CB HIS A 28 -9.662 -10.434 -8.100 1.00 75.33 C ATOM 419 CG HIS A 28 -11.140 -10.140 -8.130 1.00 23.52 C ATOM 420 ND1 HIS A 28 -12.115 -11.097 -7.942 1.00 11.41 N ATOM 421 CD2 HIS A 28 -11.802 -8.983 -8.376 1.00 5.35 C ATOM 422 CE1 HIS A 28 -13.300 -10.546 -8.078 1.00 33.31 C ATOM 423 NE2 HIS A 28 -13.141 -9.266 -8.340 1.00 65.23 N ATOM 0 H HIS A 28 -6.682 -9.537 -7.282 1.00 65.43 H new ATOM 0 HA HIS A 28 -9.266 -8.380 -7.480 1.00 62.10 H new ATOM 0 HB2 HIS A 28 -9.300 -10.520 -9.124 1.00 75.33 H new ATOM 0 HB3 HIS A 28 -9.506 -11.402 -7.624 1.00 75.33 H new ATOM 0 HD2 HIS A 28 -11.356 -8.018 -8.565 1.00 5.35 H new ATOM 0 HE1 HIS A 28 -14.247 -11.058 -7.990 1.00 33.31 H new ATOM 0 HE2 HIS A 28 -13.893 -8.594 -8.492 1.00 65.23 H new ATOM 432 N ASP A 29 -7.603 -9.436 -5.206 1.00 22.40 N ATOM 433 CA ASP A 29 -7.206 -9.973 -3.872 1.00 52.14 C ATOM 434 C ASP A 29 -8.177 -9.613 -2.713 1.00 32.50 C ATOM 435 O ASP A 29 -8.466 -10.457 -1.850 1.00 63.12 O ATOM 436 CB ASP A 29 -5.785 -9.451 -3.529 1.00 62.10 C ATOM 437 CG ASP A 29 -4.741 -9.738 -4.620 1.00 14.53 C ATOM 438 OD1 ASP A 29 -4.853 -9.163 -5.727 1.00 34.41 O ATOM 439 OD2 ASP A 29 -3.784 -10.502 -4.377 1.00 54.10 O ATOM 0 H ASP A 29 -6.877 -8.855 -5.626 1.00 22.40 H new ATOM 0 HA ASP A 29 -7.235 -11.059 -3.957 1.00 52.14 H new ATOM 0 HB2 ASP A 29 -5.834 -8.375 -3.359 1.00 62.10 H new ATOM 0 HB3 ASP A 29 -5.456 -9.906 -2.595 1.00 62.10 H new ATOM 444 N HIS A 30 -8.670 -8.356 -2.706 1.00 24.33 N ATOM 445 CA HIS A 30 -9.502 -7.814 -1.599 1.00 1.42 C ATOM 446 C HIS A 30 -10.853 -8.569 -1.457 1.00 62.31 C ATOM 447 O HIS A 30 -11.442 -8.586 -0.380 1.00 30.53 O ATOM 448 CB HIS A 30 -9.716 -6.264 -1.756 1.00 74.53 C ATOM 449 CG HIS A 30 -10.946 -5.795 -2.532 1.00 33.34 C ATOM 450 ND1 HIS A 30 -10.917 -5.399 -3.851 1.00 62.04 N ATOM 451 CD2 HIS A 30 -12.241 -5.625 -2.141 1.00 31.43 C ATOM 452 CE1 HIS A 30 -12.115 -5.010 -4.227 1.00 25.21 C ATOM 453 NE2 HIS A 30 -12.932 -5.137 -3.214 1.00 71.55 N ATOM 0 H HIS A 30 -8.507 -7.689 -3.460 1.00 24.33 H new ATOM 0 HA HIS A 30 -8.953 -7.981 -0.672 1.00 1.42 H new ATOM 0 HB2 HIS A 30 -9.762 -5.828 -0.758 1.00 74.53 H new ATOM 0 HB3 HIS A 30 -8.833 -5.851 -2.244 1.00 74.53 H new ATOM 0 HD2 HIS A 30 -12.646 -5.837 -1.163 1.00 31.43 H new ATOM 0 HE1 HIS A 30 -12.380 -4.646 -5.209 1.00 25.21 H new ATOM 0 HE2 HIS A 30 -13.926 -4.908 -3.223 1.00 71.55 H new ATOM 462 N VAL A 31 -11.330 -9.173 -2.564 1.00 0.43 N ATOM 463 CA VAL A 31 -12.598 -9.939 -2.596 1.00 44.30 C ATOM 464 C VAL A 31 -12.445 -11.303 -1.876 1.00 15.23 C ATOM 465 O VAL A 31 -13.278 -11.661 -1.034 1.00 51.13 O ATOM 466 CB VAL A 31 -13.085 -10.153 -4.080 1.00 3.40 C ATOM 467 CG1 VAL A 31 -14.409 -10.963 -4.157 1.00 73.13 C ATOM 468 CG2 VAL A 31 -13.220 -8.789 -4.802 1.00 4.31 C ATOM 0 H VAL A 31 -10.849 -9.145 -3.463 1.00 0.43 H new ATOM 0 HA VAL A 31 -13.351 -9.357 -2.065 1.00 44.30 H new ATOM 0 HB VAL A 31 -12.328 -10.748 -4.591 1.00 3.40 H new ATOM 0 HG11 VAL A 31 -14.702 -11.083 -5.200 1.00 73.13 H new ATOM 0 HG12 VAL A 31 -14.262 -11.944 -3.706 1.00 73.13 H new ATOM 0 HG13 VAL A 31 -15.193 -10.430 -3.619 1.00 73.13 H new ATOM 0 HG21 VAL A 31 -13.557 -8.951 -5.826 1.00 4.31 H new ATOM 0 HG22 VAL A 31 -13.945 -8.169 -4.275 1.00 4.31 H new ATOM 0 HG23 VAL A 31 -12.253 -8.286 -4.814 1.00 4.31 H new ATOM 478 N ALA A 32 -11.362 -12.040 -2.208 1.00 71.00 N ATOM 479 CA ALA A 32 -11.032 -13.355 -1.583 1.00 3.31 C ATOM 480 C ALA A 32 -10.794 -13.245 -0.055 1.00 2.32 C ATOM 481 O ALA A 32 -11.031 -14.198 0.698 1.00 1.51 O ATOM 482 CB ALA A 32 -9.799 -13.970 -2.267 1.00 21.42 C ATOM 0 H ALA A 32 -10.688 -11.747 -2.915 1.00 71.00 H new ATOM 0 HA ALA A 32 -11.896 -14.004 -1.727 1.00 3.31 H new ATOM 0 HB1 ALA A 32 -9.566 -14.929 -1.804 1.00 21.42 H new ATOM 0 HB2 ALA A 32 -10.007 -14.120 -3.326 1.00 21.42 H new ATOM 0 HB3 ALA A 32 -8.948 -13.298 -2.156 1.00 21.42 H new ATOM 488 N ILE A 33 -10.300 -12.078 0.378 1.00 63.40 N ATOM 489 CA ILE A 33 -10.087 -11.758 1.809 1.00 14.22 C ATOM 490 C ILE A 33 -11.374 -11.167 2.457 1.00 42.11 C ATOM 491 O ILE A 33 -11.638 -11.384 3.647 1.00 21.32 O ATOM 492 CB ILE A 33 -8.873 -10.765 1.957 1.00 54.32 C ATOM 493 CG1 ILE A 33 -7.582 -11.419 1.344 1.00 41.41 C ATOM 494 CG2 ILE A 33 -8.640 -10.337 3.434 1.00 33.21 C ATOM 495 CD1 ILE A 33 -6.346 -10.544 1.352 1.00 1.52 C ATOM 0 H ILE A 33 -10.033 -11.321 -0.252 1.00 63.40 H new ATOM 0 HA ILE A 33 -9.855 -12.682 2.339 1.00 14.22 H new ATOM 0 HB ILE A 33 -9.110 -9.854 1.407 1.00 54.32 H new ATOM 0 HG12 ILE A 33 -7.362 -12.334 1.894 1.00 41.41 H new ATOM 0 HG13 ILE A 33 -7.795 -11.709 0.315 1.00 41.41 H new ATOM 0 HG21 ILE A 33 -7.793 -9.653 3.485 1.00 33.21 H new ATOM 0 HG22 ILE A 33 -9.532 -9.839 3.814 1.00 33.21 H new ATOM 0 HG23 ILE A 33 -8.431 -11.219 4.040 1.00 33.21 H new ATOM 0 HD11 ILE A 33 -5.512 -11.088 0.908 1.00 1.52 H new ATOM 0 HD12 ILE A 33 -6.537 -9.639 0.775 1.00 1.52 H new ATOM 0 HD13 ILE A 33 -6.098 -10.274 2.379 1.00 1.52 H new ATOM 507 N GLY A 34 -12.175 -10.445 1.652 1.00 12.14 N ATOM 508 CA GLY A 34 -13.419 -9.814 2.127 1.00 73.11 C ATOM 509 C GLY A 34 -13.186 -8.498 2.886 1.00 23.35 C ATOM 510 O GLY A 34 -13.769 -8.272 3.952 1.00 52.53 O ATOM 0 H GLY A 34 -11.981 -10.284 0.664 1.00 12.14 H new ATOM 0 HA2 GLY A 34 -14.069 -9.622 1.273 1.00 73.11 H new ATOM 0 HA3 GLY A 34 -13.946 -10.512 2.778 1.00 73.11 H new ATOM 514 N ALA A 35 -12.322 -7.631 2.327 1.00 63.02 N ATOM 515 CA ALA A 35 -11.976 -6.319 2.923 1.00 63.22 C ATOM 516 C ALA A 35 -11.914 -5.234 1.827 1.00 43.44 C ATOM 517 O ALA A 35 -11.247 -5.433 0.816 1.00 44.24 O ATOM 518 CB ALA A 35 -10.625 -6.410 3.660 1.00 42.11 C ATOM 0 H ALA A 35 -11.841 -7.817 1.447 1.00 63.02 H new ATOM 0 HA ALA A 35 -12.749 -6.046 3.641 1.00 63.22 H new ATOM 0 HB1 ALA A 35 -10.381 -5.440 4.094 1.00 42.11 H new ATOM 0 HB2 ALA A 35 -10.692 -7.155 4.452 1.00 42.11 H new ATOM 0 HB3 ALA A 35 -9.845 -6.699 2.956 1.00 42.11 H new ATOM 524 N ASP A 36 -12.607 -4.097 2.037 1.00 42.20 N ATOM 525 CA ASP A 36 -12.643 -2.977 1.066 1.00 11.43 C ATOM 526 C ASP A 36 -11.254 -2.292 0.950 1.00 54.40 C ATOM 527 O ASP A 36 -10.749 -1.724 1.917 1.00 2.53 O ATOM 528 CB ASP A 36 -13.738 -1.952 1.471 1.00 51.23 C ATOM 529 CG ASP A 36 -13.743 -0.697 0.577 1.00 13.42 C ATOM 530 OD1 ASP A 36 -13.991 -0.826 -0.639 1.00 43.14 O ATOM 531 OD2 ASP A 36 -13.476 0.414 1.078 1.00 51.01 O ATOM 0 H ASP A 36 -13.156 -3.926 2.879 1.00 42.20 H new ATOM 0 HA ASP A 36 -12.893 -3.380 0.085 1.00 11.43 H new ATOM 0 HB2 ASP A 36 -14.715 -2.432 1.420 1.00 51.23 H new ATOM 0 HB3 ASP A 36 -13.583 -1.653 2.508 1.00 51.23 H new ATOM 536 N CYS A 37 -10.660 -2.348 -0.254 1.00 11.13 N ATOM 537 CA CYS A 37 -9.297 -1.826 -0.515 1.00 21.31 C ATOM 538 C CYS A 37 -9.230 -0.278 -0.540 1.00 11.30 C ATOM 539 O CYS A 37 -8.156 0.292 -0.328 1.00 4.42 O ATOM 540 CB CYS A 37 -8.769 -2.408 -1.845 1.00 3.03 C ATOM 541 SG CYS A 37 -9.843 -2.122 -3.272 1.00 30.05 S ATOM 0 H CYS A 37 -11.106 -2.755 -1.076 1.00 11.13 H new ATOM 0 HA CYS A 37 -8.665 -2.145 0.314 1.00 21.31 H new ATOM 0 HB2 CYS A 37 -7.790 -1.976 -2.052 1.00 3.03 H new ATOM 0 HB3 CYS A 37 -8.625 -3.482 -1.725 1.00 3.03 H new ATOM 0 HG CYS A 37 -10.207 -3.263 -3.777 1.00 30.05 H new ATOM 547 N GLU A 38 -10.379 0.388 -0.786 1.00 43.01 N ATOM 548 CA GLU A 38 -10.458 1.871 -0.856 1.00 12.13 C ATOM 549 C GLU A 38 -10.187 2.533 0.520 1.00 0.01 C ATOM 550 O GLU A 38 -9.393 3.478 0.617 1.00 63.55 O ATOM 551 CB GLU A 38 -11.850 2.303 -1.405 1.00 25.13 C ATOM 552 CG GLU A 38 -12.113 3.827 -1.363 1.00 20.41 C ATOM 553 CD GLU A 38 -13.459 4.238 -1.976 1.00 4.43 C ATOM 554 OE1 GLU A 38 -14.508 3.955 -1.363 1.00 22.05 O ATOM 555 OE2 GLU A 38 -13.481 4.839 -3.075 1.00 72.42 O ATOM 0 H GLU A 38 -11.273 -0.078 -0.941 1.00 43.01 H new ATOM 0 HA GLU A 38 -9.679 2.214 -1.537 1.00 12.13 H new ATOM 0 HB2 GLU A 38 -11.942 1.960 -2.435 1.00 25.13 H new ATOM 0 HB3 GLU A 38 -12.626 1.797 -0.830 1.00 25.13 H new ATOM 0 HG2 GLU A 38 -12.077 4.164 -0.327 1.00 20.41 H new ATOM 0 HG3 GLU A 38 -11.311 4.340 -1.893 1.00 20.41 H new ATOM 562 N ARG A 39 -10.862 2.030 1.569 1.00 12.25 N ATOM 563 CA ARG A 39 -10.722 2.545 2.958 1.00 53.04 C ATOM 564 C ARG A 39 -9.318 2.267 3.545 1.00 32.54 C ATOM 565 O ARG A 39 -8.779 3.082 4.298 1.00 71.11 O ATOM 566 CB ARG A 39 -11.821 1.941 3.869 1.00 21.42 C ATOM 567 CG ARG A 39 -11.785 0.407 4.007 1.00 20.02 C ATOM 568 CD ARG A 39 -12.939 -0.133 4.854 1.00 31.42 C ATOM 569 NE ARG A 39 -12.875 0.378 6.228 1.00 35.21 N ATOM 570 CZ ARG A 39 -13.895 0.721 6.974 1.00 61.04 C ATOM 571 NH1 ARG A 39 -15.110 0.637 6.530 1.00 70.03 N ATOM 572 NH2 ARG A 39 -13.685 1.163 8.164 1.00 12.45 N ATOM 0 H ARG A 39 -11.521 1.256 1.486 1.00 12.25 H new ATOM 0 HA ARG A 39 -10.846 3.627 2.918 1.00 53.04 H new ATOM 0 HB2 ARG A 39 -11.731 2.382 4.862 1.00 21.42 H new ATOM 0 HB3 ARG A 39 -12.796 2.232 3.478 1.00 21.42 H new ATOM 0 HG2 ARG A 39 -11.824 -0.045 3.016 1.00 20.02 H new ATOM 0 HG3 ARG A 39 -10.838 0.108 4.456 1.00 20.02 H new ATOM 0 HD2 ARG A 39 -13.889 0.151 4.402 1.00 31.42 H new ATOM 0 HD3 ARG A 39 -12.905 -1.222 4.867 1.00 31.42 H new ATOM 0 HE ARG A 39 -11.948 0.475 6.641 1.00 35.21 H new ATOM 0 HH11 ARG A 39 -15.285 0.299 5.584 1.00 70.03 H new ATOM 0 HH12 ARG A 39 -15.891 0.909 7.127 1.00 70.03 H new ATOM 0 HH21 ARG A 39 -12.732 1.243 8.517 1.00 12.45 H new ATOM 0 HH22 ARG A 39 -14.472 1.433 8.754 1.00 12.45 H new ATOM 586 N LEU A 40 -8.738 1.113 3.176 1.00 44.54 N ATOM 587 CA LEU A 40 -7.372 0.726 3.587 1.00 5.04 C ATOM 588 C LEU A 40 -6.332 1.681 2.969 1.00 11.13 C ATOM 589 O LEU A 40 -5.458 2.196 3.668 1.00 30.44 O ATOM 590 CB LEU A 40 -7.096 -0.744 3.173 1.00 24.44 C ATOM 591 CG LEU A 40 -8.103 -1.795 3.746 1.00 54.11 C ATOM 592 CD1 LEU A 40 -7.821 -3.212 3.210 1.00 51.14 C ATOM 593 CD2 LEU A 40 -8.121 -1.775 5.292 1.00 40.42 C ATOM 0 H LEU A 40 -9.199 0.421 2.585 1.00 44.54 H new ATOM 0 HA LEU A 40 -7.290 0.801 4.671 1.00 5.04 H new ATOM 0 HB2 LEU A 40 -7.109 -0.807 2.085 1.00 24.44 H new ATOM 0 HB3 LEU A 40 -6.090 -1.013 3.496 1.00 24.44 H new ATOM 0 HG LEU A 40 -9.096 -1.509 3.398 1.00 54.11 H new ATOM 0 HD11 LEU A 40 -8.543 -3.911 3.633 1.00 51.14 H new ATOM 0 HD12 LEU A 40 -7.907 -3.214 2.123 1.00 51.14 H new ATOM 0 HD13 LEU A 40 -6.813 -3.515 3.494 1.00 51.14 H new ATOM 0 HD21 LEU A 40 -8.831 -2.517 5.657 1.00 40.42 H new ATOM 0 HD22 LEU A 40 -7.126 -2.008 5.671 1.00 40.42 H new ATOM 0 HD23 LEU A 40 -8.419 -0.786 5.640 1.00 40.42 H new ATOM 605 N SER A 41 -6.486 1.930 1.654 1.00 12.43 N ATOM 606 CA SER A 41 -5.655 2.894 0.887 1.00 40.41 C ATOM 607 C SER A 41 -5.830 4.347 1.389 1.00 25.44 C ATOM 608 O SER A 41 -4.896 5.145 1.321 1.00 75.01 O ATOM 609 CB SER A 41 -6.011 2.813 -0.610 1.00 35.45 C ATOM 610 OG SER A 41 -5.270 3.734 -1.401 1.00 45.51 O ATOM 0 H SER A 41 -7.195 1.467 1.085 1.00 12.43 H new ATOM 0 HA SER A 41 -4.611 2.619 1.038 1.00 40.41 H new ATOM 0 HB2 SER A 41 -5.826 1.801 -0.969 1.00 35.45 H new ATOM 0 HB3 SER A 41 -7.076 3.006 -0.737 1.00 35.45 H new ATOM 0 HG SER A 41 -5.852 4.115 -2.091 1.00 45.51 H new ATOM 616 N ALA A 42 -7.038 4.666 1.887 1.00 53.50 N ATOM 617 CA ALA A 42 -7.352 5.980 2.492 1.00 12.44 C ATOM 618 C ALA A 42 -6.573 6.194 3.809 1.00 13.02 C ATOM 619 O ALA A 42 -6.088 7.295 4.084 1.00 73.11 O ATOM 620 CB ALA A 42 -8.863 6.098 2.734 1.00 61.22 C ATOM 0 H ALA A 42 -7.828 4.021 1.883 1.00 53.50 H new ATOM 0 HA ALA A 42 -7.041 6.759 1.795 1.00 12.44 H new ATOM 0 HB1 ALA A 42 -9.086 7.068 3.179 1.00 61.22 H new ATOM 0 HB2 ALA A 42 -9.392 6.004 1.785 1.00 61.22 H new ATOM 0 HB3 ALA A 42 -9.186 5.306 3.409 1.00 61.22 H new ATOM 626 N GLN A 43 -6.472 5.126 4.624 1.00 13.13 N ATOM 627 CA GLN A 43 -5.669 5.146 5.866 1.00 1.31 C ATOM 628 C GLN A 43 -4.144 5.191 5.565 1.00 41.03 C ATOM 629 O GLN A 43 -3.377 5.754 6.353 1.00 31.41 O ATOM 630 CB GLN A 43 -6.007 3.937 6.771 1.00 61.44 C ATOM 631 CG GLN A 43 -7.430 3.955 7.367 1.00 3.24 C ATOM 632 CD GLN A 43 -7.687 2.826 8.374 1.00 63.02 C ATOM 633 OE1 GLN A 43 -7.126 1.737 8.276 1.00 11.13 O ATOM 634 NE2 GLN A 43 -8.546 3.070 9.347 1.00 10.44 N ATOM 0 H GLN A 43 -6.937 4.236 4.445 1.00 13.13 H new ATOM 0 HA GLN A 43 -5.931 6.059 6.401 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.882 3.022 6.193 1.00 61.44 H new ATOM 0 HB3 GLN A 43 -5.286 3.899 7.588 1.00 61.44 H new ATOM 0 HG2 GLN A 43 -7.598 4.914 7.858 1.00 3.24 H new ATOM 0 HG3 GLN A 43 -8.155 3.881 6.557 1.00 3.24 H new ATOM 0 HE21 GLN A 43 -9.000 3.981 9.410 1.00 10.44 H new ATOM 0 HE22 GLN A 43 -8.755 2.347 10.036 1.00 10.44 H new ATOM 643 N ILE A 44 -3.716 4.579 4.428 1.00 51.00 N ATOM 644 CA ILE A 44 -2.317 4.694 3.928 1.00 14.12 C ATOM 645 C ILE A 44 -1.981 6.175 3.623 1.00 24.30 C ATOM 646 O ILE A 44 -0.908 6.652 3.980 1.00 24.22 O ATOM 647 CB ILE A 44 -2.060 3.817 2.633 1.00 54.03 C ATOM 648 CG1 ILE A 44 -2.345 2.303 2.905 1.00 40.45 C ATOM 649 CG2 ILE A 44 -0.615 4.010 2.082 1.00 12.52 C ATOM 650 CD1 ILE A 44 -2.239 1.394 1.685 1.00 64.31 C ATOM 0 H ILE A 44 -4.318 4.002 3.841 1.00 51.00 H new ATOM 0 HA ILE A 44 -1.666 4.316 4.716 1.00 14.12 H new ATOM 0 HB ILE A 44 -2.757 4.165 1.871 1.00 54.03 H new ATOM 0 HG12 ILE A 44 -1.647 1.949 3.664 1.00 40.45 H new ATOM 0 HG13 ILE A 44 -3.347 2.208 3.324 1.00 40.45 H new ATOM 0 HG21 ILE A 44 -0.478 3.392 1.194 1.00 12.52 H new ATOM 0 HG22 ILE A 44 -0.462 5.057 1.822 1.00 12.52 H new ATOM 0 HG23 ILE A 44 0.107 3.716 2.844 1.00 12.52 H new ATOM 0 HD11 ILE A 44 -2.454 0.366 1.977 1.00 64.31 H new ATOM 0 HD12 ILE A 44 -2.956 1.714 0.929 1.00 64.31 H new ATOM 0 HD13 ILE A 44 -1.231 1.451 1.275 1.00 64.31 H new ATOM 662 N GLU A 45 -2.939 6.874 2.975 1.00 43.33 N ATOM 663 CA GLU A 45 -2.835 8.317 2.644 1.00 64.10 C ATOM 664 C GLU A 45 -2.603 9.204 3.887 1.00 42.12 C ATOM 665 O GLU A 45 -1.808 10.138 3.834 1.00 15.44 O ATOM 666 CB GLU A 45 -4.102 8.779 1.870 1.00 33.33 C ATOM 667 CG GLU A 45 -4.196 8.254 0.426 1.00 42.15 C ATOM 668 CD GLU A 45 -3.159 8.906 -0.508 1.00 74.04 C ATOM 669 OE1 GLU A 45 -3.443 10.010 -1.029 1.00 23.41 O ATOM 670 OE2 GLU A 45 -2.062 8.336 -0.706 1.00 21.11 O ATOM 0 H GLU A 45 -3.814 6.452 2.664 1.00 43.33 H new ATOM 0 HA GLU A 45 -1.956 8.438 2.010 1.00 64.10 H new ATOM 0 HB2 GLU A 45 -4.986 8.455 2.419 1.00 33.33 H new ATOM 0 HB3 GLU A 45 -4.122 9.869 1.849 1.00 33.33 H new ATOM 0 HG2 GLU A 45 -4.052 7.174 0.426 1.00 42.15 H new ATOM 0 HG3 GLU A 45 -5.198 8.442 0.039 1.00 42.15 H new ATOM 677 N GLU A 46 -3.302 8.903 4.996 1.00 35.54 N ATOM 678 CA GLU A 46 -3.098 9.595 6.296 1.00 2.13 C ATOM 679 C GLU A 46 -1.688 9.340 6.868 1.00 54.02 C ATOM 680 O GLU A 46 -0.957 10.278 7.205 1.00 43.54 O ATOM 681 CB GLU A 46 -4.173 9.133 7.316 1.00 14.42 C ATOM 682 CG GLU A 46 -5.597 9.636 7.025 1.00 52.22 C ATOM 683 CD GLU A 46 -5.761 11.160 7.211 1.00 13.44 C ATOM 684 OE1 GLU A 46 -5.411 11.934 6.296 1.00 75.41 O ATOM 685 OE2 GLU A 46 -6.227 11.588 8.292 1.00 32.51 O ATOM 0 H GLU A 46 -4.021 8.180 5.024 1.00 35.54 H new ATOM 0 HA GLU A 46 -3.195 10.666 6.119 1.00 2.13 H new ATOM 0 HB2 GLU A 46 -4.186 8.043 7.341 1.00 14.42 H new ATOM 0 HB3 GLU A 46 -3.880 9.471 8.310 1.00 14.42 H new ATOM 0 HG2 GLU A 46 -5.865 9.372 6.002 1.00 52.22 H new ATOM 0 HG3 GLU A 46 -6.297 9.120 7.682 1.00 52.22 H new ATOM 692 N CYS A 47 -1.319 8.053 6.939 1.00 61.43 N ATOM 693 CA CYS A 47 -0.051 7.599 7.542 1.00 41.34 C ATOM 694 C CYS A 47 1.192 8.094 6.759 1.00 53.05 C ATOM 695 O CYS A 47 2.228 8.394 7.359 1.00 41.31 O ATOM 696 CB CYS A 47 -0.058 6.064 7.640 1.00 73.41 C ATOM 697 SG CYS A 47 -1.393 5.397 8.670 1.00 1.52 S ATOM 0 H CYS A 47 -1.893 7.291 6.578 1.00 61.43 H new ATOM 0 HA CYS A 47 0.022 8.034 8.539 1.00 41.34 H new ATOM 0 HB2 CYS A 47 -0.144 5.646 6.637 1.00 73.41 H new ATOM 0 HB3 CYS A 47 0.899 5.731 8.043 1.00 73.41 H new ATOM 0 HG CYS A 47 -2.501 5.384 7.990 1.00 1.52 H new ATOM 703 N ILE A 48 1.076 8.181 5.417 1.00 4.12 N ATOM 704 CA ILE A 48 2.164 8.704 4.560 1.00 32.14 C ATOM 705 C ILE A 48 2.203 10.253 4.640 1.00 1.31 C ATOM 706 O ILE A 48 3.273 10.841 4.663 1.00 44.34 O ATOM 707 CB ILE A 48 2.045 8.196 3.056 1.00 52.45 C ATOM 708 CG1 ILE A 48 3.374 8.448 2.268 1.00 51.11 C ATOM 709 CG2 ILE A 48 0.842 8.836 2.312 1.00 1.12 C ATOM 710 CD1 ILE A 48 3.389 7.928 0.836 1.00 31.13 C ATOM 0 H ILE A 48 0.242 7.897 4.903 1.00 4.12 H new ATOM 0 HA ILE A 48 3.108 8.312 4.938 1.00 32.14 H new ATOM 0 HB ILE A 48 1.866 7.122 3.102 1.00 52.45 H new ATOM 0 HG12 ILE A 48 3.569 9.520 2.250 1.00 51.11 H new ATOM 0 HG13 ILE A 48 4.195 7.984 2.815 1.00 51.11 H new ATOM 0 HG21 ILE A 48 0.803 8.458 1.290 1.00 1.12 H new ATOM 0 HG22 ILE A 48 -0.083 8.580 2.829 1.00 1.12 H new ATOM 0 HG23 ILE A 48 0.960 9.919 2.294 1.00 1.12 H new ATOM 0 HD11 ILE A 48 4.352 8.152 0.378 1.00 31.13 H new ATOM 0 HD12 ILE A 48 3.231 6.850 0.839 1.00 31.13 H new ATOM 0 HD13 ILE A 48 2.595 8.410 0.266 1.00 31.13 H new ATOM 722 N PHE A 49 1.013 10.895 4.762 1.00 44.45 N ATOM 723 CA PHE A 49 0.877 12.379 4.814 1.00 11.20 C ATOM 724 C PHE A 49 1.584 13.008 6.048 1.00 34.33 C ATOM 725 O PHE A 49 2.004 14.158 6.004 1.00 44.44 O ATOM 726 CB PHE A 49 -0.628 12.789 4.793 1.00 63.44 C ATOM 727 CG PHE A 49 -0.881 14.304 4.782 1.00 45.54 C ATOM 728 CD1 PHE A 49 -0.767 15.041 3.602 1.00 62.11 C ATOM 729 CD2 PHE A 49 -1.211 14.994 5.954 1.00 61.14 C ATOM 730 CE1 PHE A 49 -0.965 16.410 3.595 1.00 52.31 C ATOM 731 CE2 PHE A 49 -1.413 16.358 5.941 1.00 24.43 C ATOM 732 CZ PHE A 49 -1.292 17.067 4.764 1.00 4.35 C ATOM 0 H PHE A 49 0.122 10.403 4.827 1.00 44.45 H new ATOM 0 HA PHE A 49 1.376 12.769 3.927 1.00 11.20 H new ATOM 0 HB2 PHE A 49 -1.098 12.350 3.913 1.00 63.44 H new ATOM 0 HB3 PHE A 49 -1.120 12.359 5.665 1.00 63.44 H new ATOM 0 HD1 PHE A 49 -0.520 14.535 2.680 1.00 62.11 H new ATOM 0 HD2 PHE A 49 -1.309 14.450 6.882 1.00 61.14 H new ATOM 0 HE1 PHE A 49 -0.864 16.965 2.674 1.00 52.31 H new ATOM 0 HE2 PHE A 49 -1.667 16.873 6.856 1.00 24.43 H new ATOM 0 HZ PHE A 49 -1.453 18.135 4.757 1.00 4.35 H new ATOM 742 N ARG A 50 1.701 12.259 7.151 1.00 30.11 N ATOM 743 CA ARG A 50 2.323 12.788 8.389 1.00 73.35 C ATOM 744 C ARG A 50 3.858 12.984 8.221 1.00 71.05 C ATOM 745 O ARG A 50 4.414 13.985 8.683 1.00 22.42 O ATOM 746 CB ARG A 50 1.985 11.875 9.597 1.00 14.15 C ATOM 747 CG ARG A 50 0.469 11.638 9.824 1.00 22.51 C ATOM 748 CD ARG A 50 -0.355 12.944 9.829 1.00 4.12 C ATOM 749 NE ARG A 50 -1.771 12.717 10.167 1.00 25.24 N ATOM 750 CZ ARG A 50 -2.789 12.685 9.324 1.00 31.10 C ATOM 751 NH1 ARG A 50 -2.624 12.762 8.038 1.00 25.40 N ATOM 752 NH2 ARG A 50 -3.981 12.554 9.790 1.00 62.21 N ATOM 0 H ARG A 50 1.379 11.294 7.220 1.00 30.11 H new ATOM 0 HA ARG A 50 1.903 13.774 8.587 1.00 73.35 H new ATOM 0 HB2 ARG A 50 2.473 10.911 9.454 1.00 14.15 H new ATOM 0 HB3 ARG A 50 2.409 12.316 10.499 1.00 14.15 H new ATOM 0 HG2 ARG A 50 0.090 10.979 9.043 1.00 22.51 H new ATOM 0 HG3 ARG A 50 0.326 11.122 10.773 1.00 22.51 H new ATOM 0 HD2 ARG A 50 0.079 13.641 10.546 1.00 4.12 H new ATOM 0 HD3 ARG A 50 -0.290 13.414 8.848 1.00 4.12 H new ATOM 0 HE ARG A 50 -1.988 12.569 11.153 1.00 25.24 H new ATOM 0 HH11 ARG A 50 -1.685 12.850 7.649 1.00 25.40 H new ATOM 0 HH12 ARG A 50 -3.433 12.734 7.417 1.00 25.40 H new ATOM 0 HH21 ARG A 50 -4.130 12.477 10.796 1.00 62.21 H new ATOM 0 HH22 ARG A 50 -4.777 12.528 9.153 1.00 62.21 H new ATOM 766 N ASP A 51 4.521 12.037 7.530 1.00 2.22 N ATOM 767 CA ASP A 51 5.980 12.105 7.232 1.00 34.31 C ATOM 768 C ASP A 51 6.262 12.917 5.934 1.00 13.02 C ATOM 769 O ASP A 51 7.216 13.696 5.859 1.00 71.43 O ATOM 770 CB ASP A 51 6.537 10.655 7.084 1.00 4.34 C ATOM 771 CG ASP A 51 8.049 10.593 6.779 1.00 30.13 C ATOM 772 OD1 ASP A 51 8.860 10.704 7.721 1.00 31.33 O ATOM 773 OD2 ASP A 51 8.435 10.474 5.592 1.00 62.11 O ATOM 0 H ASP A 51 4.069 11.201 7.160 1.00 2.22 H new ATOM 0 HA ASP A 51 6.478 12.617 8.055 1.00 34.31 H new ATOM 0 HB2 ASP A 51 6.339 10.105 8.004 1.00 4.34 H new ATOM 0 HB3 ASP A 51 5.994 10.148 6.286 1.00 4.34 H new ATOM 778 N VAL A 52 5.390 12.734 4.938 1.00 13.34 N ATOM 779 CA VAL A 52 5.641 13.114 3.516 1.00 65.01 C ATOM 780 C VAL A 52 4.768 14.324 3.044 1.00 51.03 C ATOM 781 O VAL A 52 5.007 14.894 1.974 1.00 24.21 O ATOM 782 CB VAL A 52 5.415 11.848 2.586 1.00 72.32 C ATOM 783 CG1 VAL A 52 5.766 12.130 1.122 1.00 3.21 C ATOM 784 CG2 VAL A 52 6.215 10.621 3.100 1.00 21.04 C ATOM 0 H VAL A 52 4.472 12.313 5.083 1.00 13.34 H new ATOM 0 HA VAL A 52 6.676 13.447 3.439 1.00 65.01 H new ATOM 0 HB VAL A 52 4.350 11.618 2.632 1.00 72.32 H new ATOM 0 HG11 VAL A 52 5.594 11.233 0.527 1.00 3.21 H new ATOM 0 HG12 VAL A 52 5.139 12.939 0.747 1.00 3.21 H new ATOM 0 HG13 VAL A 52 6.814 12.419 1.048 1.00 3.21 H new ATOM 0 HG21 VAL A 52 6.039 9.770 2.442 1.00 21.04 H new ATOM 0 HG22 VAL A 52 7.279 10.858 3.110 1.00 21.04 H new ATOM 0 HG23 VAL A 52 5.890 10.372 4.110 1.00 21.04 H new ATOM 794 N GLY A 53 3.785 14.725 3.876 1.00 72.20 N ATOM 795 CA GLY A 53 2.752 15.735 3.516 1.00 65.52 C ATOM 796 C GLY A 53 3.233 17.154 3.149 1.00 25.41 C ATOM 797 O GLY A 53 2.408 18.044 2.931 1.00 22.04 O ATOM 0 H GLY A 53 3.679 14.359 4.822 1.00 72.20 H new ATOM 0 HA2 GLY A 53 2.182 15.346 2.672 1.00 65.52 H new ATOM 0 HA3 GLY A 53 2.061 15.822 4.355 1.00 65.52 H new ATOM 801 N ASN A 54 4.558 17.362 3.077 1.00 45.55 N ATOM 802 CA ASN A 54 5.178 18.557 2.450 1.00 33.03 C ATOM 803 C ASN A 54 5.096 18.496 0.888 1.00 1.54 C ATOM 804 O ASN A 54 5.598 19.389 0.208 1.00 34.42 O ATOM 805 CB ASN A 54 6.658 18.649 2.904 1.00 0.22 C ATOM 806 CG ASN A 54 7.480 17.404 2.525 1.00 22.20 C ATOM 807 OD1 ASN A 54 7.528 16.429 3.271 1.00 34.42 O ATOM 808 ND2 ASN A 54 8.124 17.423 1.373 1.00 73.24 N ATOM 0 H ASN A 54 5.241 16.704 3.453 1.00 45.55 H new ATOM 0 HA ASN A 54 4.630 19.444 2.770 1.00 33.03 H new ATOM 0 HB2 ASN A 54 7.116 19.531 2.456 1.00 0.22 H new ATOM 0 HB3 ASN A 54 6.693 18.786 3.985 1.00 0.22 H new ATOM 0 HD21 ASN A 54 8.677 16.616 1.085 1.00 73.24 H new ATOM 0 HD22 ASN A 54 8.068 18.245 0.771 1.00 73.24 H new ATOM 815 N THR A 55 4.465 17.418 0.364 1.00 13.11 N ATOM 816 CA THR A 55 4.351 17.080 -1.074 1.00 65.13 C ATOM 817 C THR A 55 5.745 16.857 -1.714 1.00 11.54 C ATOM 818 O THR A 55 6.369 15.825 -1.424 1.00 15.13 O ATOM 819 CB THR A 55 3.418 18.042 -1.924 1.00 13.42 C ATOM 820 OG1 THR A 55 3.941 19.382 -1.983 1.00 40.30 O ATOM 821 CG2 THR A 55 1.984 18.083 -1.354 1.00 32.20 C ATOM 0 H THR A 55 4.002 16.731 0.958 1.00 13.11 H new ATOM 0 HA THR A 55 3.817 16.130 -1.104 1.00 65.13 H new ATOM 0 HB THR A 55 3.392 17.632 -2.933 1.00 13.42 H new ATOM 0 HG1 THR A 55 4.665 19.480 -1.330 1.00 40.30 H new ATOM 0 HG21 THR A 55 1.371 18.751 -1.959 1.00 32.20 H new ATOM 0 HG22 THR A 55 1.556 17.081 -1.373 1.00 32.20 H new ATOM 0 HG23 THR A 55 2.011 18.446 -0.327 1.00 32.20 H new ATOM 829 N ASP A 56 6.254 17.816 -2.538 1.00 72.50 N ATOM 830 CA ASP A 56 7.564 17.690 -3.234 1.00 52.23 C ATOM 831 C ASP A 56 7.597 16.438 -4.194 1.00 21.24 C ATOM 832 O ASP A 56 6.587 15.738 -4.360 1.00 43.00 O ATOM 833 CB ASP A 56 8.701 17.690 -2.149 1.00 54.34 C ATOM 834 CG ASP A 56 10.128 17.620 -2.707 1.00 64.40 C ATOM 835 OD1 ASP A 56 10.544 18.562 -3.413 1.00 52.32 O ATOM 836 OD2 ASP A 56 10.821 16.605 -2.483 1.00 52.15 O ATOM 0 H ASP A 56 5.770 18.692 -2.736 1.00 72.50 H new ATOM 0 HA ASP A 56 7.727 18.542 -3.894 1.00 52.23 H new ATOM 0 HB2 ASP A 56 8.607 18.593 -1.545 1.00 54.34 H new ATOM 0 HB3 ASP A 56 8.546 16.842 -1.481 1.00 54.34 H new ATOM 841 N MET A 57 8.740 16.202 -4.876 1.00 44.34 N ATOM 842 CA MET A 57 8.990 14.947 -5.629 1.00 72.02 C ATOM 843 C MET A 57 8.954 13.699 -4.698 1.00 44.40 C ATOM 844 O MET A 57 8.720 12.589 -5.168 1.00 71.14 O ATOM 845 CB MET A 57 10.347 15.037 -6.395 1.00 44.44 C ATOM 846 CG MET A 57 11.603 15.154 -5.506 1.00 1.23 C ATOM 847 SD MET A 57 12.053 13.600 -4.684 1.00 14.04 S ATOM 848 CE MET A 57 13.277 14.146 -3.495 1.00 0.02 C ATOM 0 H MET A 57 9.511 16.868 -4.922 1.00 44.34 H new ATOM 0 HA MET A 57 8.187 14.827 -6.356 1.00 72.02 H new ATOM 0 HB2 MET A 57 10.449 14.153 -7.024 1.00 44.44 H new ATOM 0 HB3 MET A 57 10.312 15.899 -7.061 1.00 44.44 H new ATOM 0 HG2 MET A 57 12.441 15.489 -6.117 1.00 1.23 H new ATOM 0 HG3 MET A 57 11.433 15.920 -4.750 1.00 1.23 H new ATOM 0 HE1 MET A 57 13.636 13.290 -2.923 1.00 0.02 H new ATOM 0 HE2 MET A 57 14.113 14.608 -4.020 1.00 0.02 H new ATOM 0 HE3 MET A 57 12.828 14.872 -2.818 1.00 0.02 H new ATOM 858 N LYS A 58 9.190 13.909 -3.378 1.00 44.42 N ATOM 859 CA LYS A 58 9.178 12.826 -2.359 1.00 44.45 C ATOM 860 C LYS A 58 7.813 12.078 -2.378 1.00 30.44 C ATOM 861 O LYS A 58 7.777 10.862 -2.525 1.00 40.25 O ATOM 862 CB LYS A 58 9.497 13.424 -0.942 1.00 61.44 C ATOM 863 CG LYS A 58 10.159 12.465 0.105 1.00 54.33 C ATOM 864 CD LYS A 58 9.264 11.283 0.562 1.00 44.03 C ATOM 865 CE LYS A 58 9.863 10.463 1.723 1.00 72.33 C ATOM 866 NZ LYS A 58 9.957 11.250 2.983 1.00 14.44 N ATOM 0 H LYS A 58 9.393 14.830 -2.990 1.00 44.42 H new ATOM 0 HA LYS A 58 9.952 12.096 -2.597 1.00 44.45 H new ATOM 0 HB2 LYS A 58 10.155 14.283 -1.077 1.00 61.44 H new ATOM 0 HB3 LYS A 58 8.567 13.799 -0.516 1.00 61.44 H new ATOM 0 HG2 LYS A 58 11.078 12.063 -0.322 1.00 54.33 H new ATOM 0 HG3 LYS A 58 10.443 13.047 0.982 1.00 54.33 H new ATOM 0 HD2 LYS A 58 8.292 11.672 0.867 1.00 44.03 H new ATOM 0 HD3 LYS A 58 9.090 10.621 -0.287 1.00 44.03 H new ATOM 0 HE2 LYS A 58 9.249 9.579 1.895 1.00 72.33 H new ATOM 0 HE3 LYS A 58 10.856 10.112 1.442 1.00 72.33 H new ATOM 0 HZ1 LYS A 58 10.948 11.289 3.295 1.00 14.44 H new ATOM 0 HZ2 LYS A 58 9.608 12.215 2.816 1.00 14.44 H new ATOM 0 HZ3 LYS A 58 9.380 10.796 3.720 1.00 14.44 H new ATOM 880 N TYR A 59 6.705 12.834 -2.286 1.00 70.12 N ATOM 881 CA TYR A 59 5.331 12.268 -2.291 1.00 55.31 C ATOM 882 C TYR A 59 4.983 11.615 -3.642 1.00 61.35 C ATOM 883 O TYR A 59 4.617 10.440 -3.701 1.00 64.24 O ATOM 884 CB TYR A 59 4.320 13.398 -1.935 1.00 13.53 C ATOM 885 CG TYR A 59 2.842 12.987 -1.752 1.00 24.24 C ATOM 886 CD1 TYR A 59 2.472 11.771 -1.150 1.00 71.00 C ATOM 887 CD2 TYR A 59 1.813 13.832 -2.175 1.00 75.14 C ATOM 888 CE1 TYR A 59 1.137 11.430 -0.985 1.00 73.42 C ATOM 889 CE2 TYR A 59 0.489 13.492 -2.007 1.00 61.54 C ATOM 890 CZ TYR A 59 0.150 12.295 -1.417 1.00 42.13 C ATOM 891 OH TYR A 59 -1.182 11.968 -1.274 1.00 11.45 O ATOM 0 H TYR A 59 6.729 13.851 -2.206 1.00 70.12 H new ATOM 0 HA TYR A 59 5.274 11.477 -1.543 1.00 55.31 H new ATOM 0 HB2 TYR A 59 4.655 13.874 -1.014 1.00 13.53 H new ATOM 0 HB3 TYR A 59 4.367 14.153 -2.720 1.00 13.53 H new ATOM 0 HD1 TYR A 59 3.240 11.091 -0.810 1.00 71.00 H new ATOM 0 HD2 TYR A 59 2.061 14.773 -2.644 1.00 75.14 H new ATOM 0 HE1 TYR A 59 0.871 10.492 -0.521 1.00 73.42 H new ATOM 0 HE2 TYR A 59 -0.286 14.167 -2.339 1.00 61.54 H new ATOM 0 HH TYR A 59 -1.272 10.996 -1.183 1.00 11.45 H new ATOM 901 N LYS A 60 5.181 12.385 -4.715 1.00 72.54 N ATOM 902 CA LYS A 60 4.776 12.014 -6.089 1.00 33.15 C ATOM 903 C LYS A 60 5.473 10.719 -6.597 1.00 23.03 C ATOM 904 O LYS A 60 4.829 9.842 -7.191 1.00 3.41 O ATOM 905 CB LYS A 60 5.082 13.209 -7.028 1.00 44.01 C ATOM 906 CG LYS A 60 4.399 14.533 -6.600 1.00 21.21 C ATOM 907 CD LYS A 60 4.798 15.735 -7.489 1.00 21.33 C ATOM 908 CE LYS A 60 4.168 17.055 -7.012 1.00 31.10 C ATOM 909 NZ LYS A 60 4.536 18.204 -7.885 1.00 52.20 N ATOM 0 H LYS A 60 5.633 13.298 -4.662 1.00 72.54 H new ATOM 0 HA LYS A 60 3.708 11.794 -6.085 1.00 33.15 H new ATOM 0 HB2 LYS A 60 6.160 13.363 -7.065 1.00 44.01 H new ATOM 0 HB3 LYS A 60 4.761 12.956 -8.039 1.00 44.01 H new ATOM 0 HG2 LYS A 60 3.317 14.405 -6.636 1.00 21.21 H new ATOM 0 HG3 LYS A 60 4.660 14.752 -5.565 1.00 21.21 H new ATOM 0 HD2 LYS A 60 5.883 15.835 -7.494 1.00 21.33 H new ATOM 0 HD3 LYS A 60 4.491 15.540 -8.517 1.00 21.33 H new ATOM 0 HE2 LYS A 60 3.083 16.951 -6.991 1.00 31.10 H new ATOM 0 HE3 LYS A 60 4.489 17.260 -5.991 1.00 31.10 H new ATOM 0 HZ1 LYS A 60 4.089 19.071 -7.525 1.00 52.20 H new ATOM 0 HZ2 LYS A 60 5.569 18.322 -7.886 1.00 52.20 H new ATOM 0 HZ3 LYS A 60 4.207 18.022 -8.855 1.00 52.20 H new ATOM 923 N ASN A 61 6.791 10.611 -6.342 1.00 23.13 N ATOM 924 CA ASN A 61 7.611 9.461 -6.788 1.00 4.51 C ATOM 925 C ASN A 61 7.387 8.196 -5.919 1.00 53.41 C ATOM 926 O ASN A 61 7.338 7.086 -6.456 1.00 23.21 O ATOM 927 CB ASN A 61 9.113 9.835 -6.816 1.00 13.44 C ATOM 928 CG ASN A 61 9.437 10.953 -7.814 1.00 12.00 C ATOM 929 OD1 ASN A 61 8.771 11.112 -8.828 1.00 14.53 O ATOM 930 ND2 ASN A 61 10.465 11.730 -7.543 1.00 75.23 N ATOM 0 H ASN A 61 7.318 11.314 -5.824 1.00 23.13 H new ATOM 0 HA ASN A 61 7.285 9.218 -7.799 1.00 4.51 H new ATOM 0 HB2 ASN A 61 9.422 10.146 -5.818 1.00 13.44 H new ATOM 0 HB3 ASN A 61 9.697 8.950 -7.069 1.00 13.44 H new ATOM 0 HD21 ASN A 61 10.719 12.482 -8.184 1.00 75.23 H new ATOM 0 HD22 ASN A 61 11.007 11.580 -6.692 1.00 75.23 H new ATOM 937 N ARG A 62 7.256 8.360 -4.581 1.00 41.24 N ATOM 938 CA ARG A 62 7.062 7.209 -3.654 1.00 33.23 C ATOM 939 C ARG A 62 5.707 6.499 -3.881 1.00 75.31 C ATOM 940 O ARG A 62 5.628 5.271 -3.779 1.00 71.10 O ATOM 941 CB ARG A 62 7.210 7.647 -2.167 1.00 45.40 C ATOM 942 CG ARG A 62 8.654 8.025 -1.720 1.00 60.14 C ATOM 943 CD ARG A 62 9.602 6.818 -1.551 1.00 2.20 C ATOM 944 NE ARG A 62 9.894 6.113 -2.815 1.00 33.34 N ATOM 945 CZ ARG A 62 9.998 4.808 -2.955 1.00 63.43 C ATOM 946 NH1 ARG A 62 9.765 4.012 -1.961 1.00 72.22 N ATOM 947 NH2 ARG A 62 10.307 4.311 -4.101 1.00 25.02 N ATOM 0 H ARG A 62 7.280 9.269 -4.118 1.00 41.24 H new ATOM 0 HA ARG A 62 7.850 6.490 -3.879 1.00 33.23 H new ATOM 0 HB2 ARG A 62 6.558 8.503 -1.992 1.00 45.40 H new ATOM 0 HB3 ARG A 62 6.851 6.838 -1.531 1.00 45.40 H new ATOM 0 HG2 ARG A 62 9.082 8.708 -2.453 1.00 60.14 H new ATOM 0 HG3 ARG A 62 8.600 8.565 -0.775 1.00 60.14 H new ATOM 0 HD2 ARG A 62 10.539 7.161 -1.112 1.00 2.20 H new ATOM 0 HD3 ARG A 62 9.158 6.114 -0.847 1.00 2.20 H new ATOM 0 HE ARG A 62 10.026 6.685 -3.649 1.00 33.34 H new ATOM 0 HH11 ARG A 62 9.497 4.394 -1.054 1.00 72.22 H new ATOM 0 HH12 ARG A 62 9.850 3.003 -2.085 1.00 72.22 H new ATOM 0 HH21 ARG A 62 10.470 4.928 -4.897 1.00 25.02 H new ATOM 0 HH22 ARG A 62 10.389 3.300 -4.213 1.00 25.02 H new ATOM 961 N VAL A 63 4.651 7.280 -4.189 1.00 12.32 N ATOM 962 CA VAL A 63 3.315 6.724 -4.510 1.00 13.22 C ATOM 963 C VAL A 63 3.357 5.875 -5.812 1.00 2.43 C ATOM 964 O VAL A 63 2.997 4.693 -5.785 1.00 0.21 O ATOM 965 CB VAL A 63 2.221 7.857 -4.616 1.00 12.01 C ATOM 966 CG1 VAL A 63 0.851 7.294 -5.071 1.00 42.40 C ATOM 967 CG2 VAL A 63 2.077 8.607 -3.269 1.00 12.12 C ATOM 0 H VAL A 63 4.695 8.298 -4.223 1.00 12.32 H new ATOM 0 HA VAL A 63 3.033 6.069 -3.686 1.00 13.22 H new ATOM 0 HB VAL A 63 2.557 8.562 -5.376 1.00 12.01 H new ATOM 0 HG11 VAL A 63 0.126 8.106 -5.131 1.00 42.40 H new ATOM 0 HG12 VAL A 63 0.956 6.828 -6.051 1.00 42.40 H new ATOM 0 HG13 VAL A 63 0.506 6.552 -4.351 1.00 42.40 H new ATOM 0 HG21 VAL A 63 1.318 9.384 -3.364 1.00 12.12 H new ATOM 0 HG22 VAL A 63 1.781 7.904 -2.491 1.00 12.12 H new ATOM 0 HG23 VAL A 63 3.031 9.063 -3.002 1.00 12.12 H new ATOM 977 N ARG A 64 3.841 6.478 -6.937 1.00 14.41 N ATOM 978 CA ARG A 64 3.891 5.794 -8.265 1.00 75.53 C ATOM 979 C ARG A 64 4.807 4.533 -8.245 1.00 53.33 C ATOM 980 O ARG A 64 4.547 3.556 -8.954 1.00 11.52 O ATOM 981 CB ARG A 64 4.339 6.774 -9.397 1.00 60.53 C ATOM 982 CG ARG A 64 5.809 7.236 -9.325 1.00 72.41 C ATOM 983 CD ARG A 64 6.244 8.104 -10.520 1.00 35.52 C ATOM 984 NE ARG A 64 7.662 8.491 -10.418 1.00 21.12 N ATOM 985 CZ ARG A 64 8.369 9.098 -11.352 1.00 42.35 C ATOM 986 NH1 ARG A 64 7.860 9.406 -12.506 1.00 64.15 N ATOM 987 NH2 ARG A 64 9.605 9.387 -11.114 1.00 41.33 N ATOM 0 H ARG A 64 4.201 7.432 -6.951 1.00 14.41 H new ATOM 0 HA ARG A 64 2.875 5.461 -8.479 1.00 75.53 H new ATOM 0 HB2 ARG A 64 4.174 6.291 -10.360 1.00 60.53 H new ATOM 0 HB3 ARG A 64 3.697 7.654 -9.368 1.00 60.53 H new ATOM 0 HG2 ARG A 64 5.959 7.800 -8.404 1.00 72.41 H new ATOM 0 HG3 ARG A 64 6.454 6.359 -9.270 1.00 72.41 H new ATOM 0 HD2 ARG A 64 6.081 7.556 -11.448 1.00 35.52 H new ATOM 0 HD3 ARG A 64 5.624 8.999 -10.566 1.00 35.52 H new ATOM 0 HE ARG A 64 8.141 8.269 -9.545 1.00 21.12 H new ATOM 0 HH11 ARG A 64 6.887 9.179 -12.711 1.00 64.15 H new ATOM 0 HH12 ARG A 64 8.433 9.875 -13.207 1.00 64.15 H new ATOM 0 HH21 ARG A 64 10.021 9.146 -10.214 1.00 41.33 H new ATOM 0 HH22 ARG A 64 10.165 9.856 -11.826 1.00 41.33 H new ATOM 1001 N SER A 65 5.866 4.574 -7.415 1.00 62.15 N ATOM 1002 CA SER A 65 6.825 3.454 -7.252 1.00 72.31 C ATOM 1003 C SER A 65 6.187 2.250 -6.526 1.00 65.21 C ATOM 1004 O SER A 65 6.288 1.112 -6.992 1.00 32.32 O ATOM 1005 CB SER A 65 8.072 3.924 -6.474 1.00 2.20 C ATOM 1006 OG SER A 65 8.953 2.846 -6.203 1.00 11.21 O ATOM 0 H SER A 65 6.085 5.384 -6.835 1.00 62.15 H new ATOM 0 HA SER A 65 7.116 3.131 -8.251 1.00 72.31 H new ATOM 0 HB2 SER A 65 8.595 4.687 -7.050 1.00 2.20 H new ATOM 0 HB3 SER A 65 7.764 4.388 -5.537 1.00 2.20 H new ATOM 0 HG SER A 65 9.879 3.142 -6.325 1.00 11.21 H new ATOM 1012 N ARG A 66 5.524 2.523 -5.384 1.00 35.10 N ATOM 1013 CA ARG A 66 4.878 1.477 -4.550 1.00 53.53 C ATOM 1014 C ARG A 66 3.793 0.687 -5.310 1.00 13.21 C ATOM 1015 O ARG A 66 3.593 -0.485 -5.021 1.00 51.25 O ATOM 1016 CB ARG A 66 4.317 2.071 -3.227 1.00 3.44 C ATOM 1017 CG ARG A 66 5.416 2.404 -2.193 1.00 54.13 C ATOM 1018 CD ARG A 66 4.861 2.940 -0.863 1.00 51.23 C ATOM 1019 NE ARG A 66 5.917 3.033 0.166 1.00 40.41 N ATOM 1020 CZ ARG A 66 5.959 3.910 1.144 1.00 1.14 C ATOM 1021 NH1 ARG A 66 5.061 4.841 1.262 1.00 40.41 N ATOM 1022 NH2 ARG A 66 6.909 3.845 2.013 1.00 2.40 N ATOM 0 H ARG A 66 5.419 3.467 -5.012 1.00 35.10 H new ATOM 0 HA ARG A 66 5.661 0.763 -4.297 1.00 53.53 H new ATOM 0 HB2 ARG A 66 3.754 2.977 -3.453 1.00 3.44 H new ATOM 0 HB3 ARG A 66 3.616 1.362 -2.787 1.00 3.44 H new ATOM 0 HG2 ARG A 66 6.004 1.507 -1.998 1.00 54.13 H new ATOM 0 HG3 ARG A 66 6.094 3.143 -2.620 1.00 54.13 H new ATOM 0 HD2 ARG A 66 4.419 3.924 -1.022 1.00 51.23 H new ATOM 0 HD3 ARG A 66 4.064 2.286 -0.510 1.00 51.23 H new ATOM 0 HE ARG A 66 6.680 2.358 0.113 1.00 40.41 H new ATOM 0 HH11 ARG A 66 4.300 4.904 0.586 1.00 40.41 H new ATOM 0 HH12 ARG A 66 5.117 5.509 2.031 1.00 40.41 H new ATOM 0 HH21 ARG A 66 7.620 3.117 1.938 1.00 2.40 H new ATOM 0 HH22 ARG A 66 6.950 4.521 2.775 1.00 2.40 H new ATOM 1036 N ILE A 67 3.104 1.343 -6.268 1.00 22.52 N ATOM 1037 CA ILE A 67 2.103 0.682 -7.150 1.00 10.41 C ATOM 1038 C ILE A 67 2.691 -0.585 -7.836 1.00 25.03 C ATOM 1039 O ILE A 67 2.092 -1.663 -7.773 1.00 45.24 O ATOM 1040 CB ILE A 67 1.583 1.668 -8.265 1.00 13.34 C ATOM 1041 CG1 ILE A 67 0.994 2.962 -7.638 1.00 32.33 C ATOM 1042 CG2 ILE A 67 0.537 0.991 -9.195 1.00 55.32 C ATOM 1043 CD1 ILE A 67 0.616 4.019 -8.651 1.00 2.23 C ATOM 0 H ILE A 67 3.220 2.339 -6.456 1.00 22.52 H new ATOM 0 HA ILE A 67 1.272 0.388 -6.509 1.00 10.41 H new ATOM 0 HB ILE A 67 2.444 1.940 -8.876 1.00 13.34 H new ATOM 0 HG12 ILE A 67 0.112 2.701 -7.054 1.00 32.33 H new ATOM 0 HG13 ILE A 67 1.723 3.382 -6.945 1.00 32.33 H new ATOM 0 HG21 ILE A 67 0.205 1.705 -9.949 1.00 55.32 H new ATOM 0 HG22 ILE A 67 0.990 0.129 -9.686 1.00 55.32 H new ATOM 0 HG23 ILE A 67 -0.318 0.664 -8.603 1.00 55.32 H new ATOM 0 HD11 ILE A 67 0.213 4.890 -8.135 1.00 2.23 H new ATOM 0 HD12 ILE A 67 1.499 4.310 -9.220 1.00 2.23 H new ATOM 0 HD13 ILE A 67 -0.137 3.619 -9.330 1.00 2.23 H new ATOM 1055 N SER A 68 3.887 -0.428 -8.460 1.00 65.35 N ATOM 1056 CA SER A 68 4.581 -1.529 -9.183 1.00 2.23 C ATOM 1057 C SER A 68 5.035 -2.649 -8.218 1.00 1.54 C ATOM 1058 O SER A 68 4.959 -3.825 -8.559 1.00 40.32 O ATOM 1059 CB SER A 68 5.796 -0.992 -9.987 1.00 24.21 C ATOM 1060 OG SER A 68 6.832 -0.515 -9.142 1.00 23.33 O ATOM 0 H SER A 68 4.395 0.457 -8.477 1.00 65.35 H new ATOM 0 HA SER A 68 3.861 -1.955 -9.882 1.00 2.23 H new ATOM 0 HB2 SER A 68 6.186 -1.785 -10.625 1.00 24.21 H new ATOM 0 HB3 SER A 68 5.467 -0.187 -10.645 1.00 24.21 H new ATOM 0 HG SER A 68 6.449 0.060 -8.447 1.00 23.33 H new ATOM 1066 N ASN A 69 5.481 -2.252 -7.010 1.00 44.52 N ATOM 1067 CA ASN A 69 5.907 -3.189 -5.930 1.00 71.22 C ATOM 1068 C ASN A 69 4.725 -4.040 -5.395 1.00 41.22 C ATOM 1069 O ASN A 69 4.879 -5.236 -5.121 1.00 72.20 O ATOM 1070 CB ASN A 69 6.522 -2.381 -4.757 1.00 21.35 C ATOM 1071 CG ASN A 69 7.747 -1.549 -5.144 1.00 33.20 C ATOM 1072 OD1 ASN A 69 7.917 -0.430 -4.683 1.00 73.35 O ATOM 1073 ND2 ASN A 69 8.639 -2.100 -5.939 1.00 73.42 N ATOM 0 H ASN A 69 5.559 -1.270 -6.746 1.00 44.52 H new ATOM 0 HA ASN A 69 6.644 -3.869 -6.357 1.00 71.22 H new ATOM 0 HB2 ASN A 69 5.760 -1.717 -4.349 1.00 21.35 H new ATOM 0 HB3 ASN A 69 6.802 -3.072 -3.962 1.00 21.35 H new ATOM 0 HD21 ASN A 69 9.490 -1.592 -6.180 1.00 73.42 H new ATOM 0 HD22 ASN A 69 8.479 -3.035 -6.314 1.00 73.42 H new ATOM 1080 N LEU A 70 3.555 -3.393 -5.235 1.00 42.23 N ATOM 1081 CA LEU A 70 2.319 -4.044 -4.748 1.00 13.43 C ATOM 1082 C LEU A 70 1.794 -5.082 -5.766 1.00 0.31 C ATOM 1083 O LEU A 70 1.440 -6.197 -5.386 1.00 43.13 O ATOM 1084 CB LEU A 70 1.229 -2.969 -4.441 1.00 4.42 C ATOM 1085 CG LEU A 70 1.519 -2.028 -3.213 1.00 20.33 C ATOM 1086 CD1 LEU A 70 0.539 -0.830 -3.150 1.00 74.42 C ATOM 1087 CD2 LEU A 70 1.499 -2.821 -1.891 1.00 1.41 C ATOM 0 H LEU A 70 3.438 -2.401 -5.440 1.00 42.23 H new ATOM 0 HA LEU A 70 2.555 -4.576 -3.826 1.00 13.43 H new ATOM 0 HB2 LEU A 70 1.099 -2.348 -5.327 1.00 4.42 H new ATOM 0 HB3 LEU A 70 0.282 -3.479 -4.267 1.00 4.42 H new ATOM 0 HG LEU A 70 2.520 -1.620 -3.355 1.00 20.33 H new ATOM 0 HD11 LEU A 70 0.778 -0.209 -2.287 1.00 74.42 H new ATOM 0 HD12 LEU A 70 0.630 -0.237 -4.060 1.00 74.42 H new ATOM 0 HD13 LEU A 70 -0.482 -1.200 -3.059 1.00 74.42 H new ATOM 0 HD21 LEU A 70 1.702 -2.147 -1.059 1.00 1.41 H new ATOM 0 HD22 LEU A 70 0.519 -3.279 -1.756 1.00 1.41 H new ATOM 0 HD23 LEU A 70 2.262 -3.599 -1.922 1.00 1.41 H new ATOM 1099 N LYS A 71 1.789 -4.707 -7.060 1.00 4.34 N ATOM 1100 CA LYS A 71 1.288 -5.577 -8.159 1.00 72.53 C ATOM 1101 C LYS A 71 2.358 -6.573 -8.680 1.00 62.42 C ATOM 1102 O LYS A 71 2.060 -7.390 -9.563 1.00 31.02 O ATOM 1103 CB LYS A 71 0.758 -4.716 -9.340 1.00 64.32 C ATOM 1104 CG LYS A 71 1.836 -3.921 -10.105 1.00 33.32 C ATOM 1105 CD LYS A 71 1.281 -3.166 -11.336 1.00 25.15 C ATOM 1106 CE LYS A 71 0.160 -2.177 -10.983 1.00 11.30 C ATOM 1107 NZ LYS A 71 -0.214 -1.326 -12.142 1.00 14.22 N ATOM 0 H LYS A 71 2.128 -3.800 -7.379 1.00 4.34 H new ATOM 0 HA LYS A 71 0.475 -6.166 -7.735 1.00 72.53 H new ATOM 0 HB2 LYS A 71 0.243 -5.370 -10.044 1.00 64.32 H new ATOM 0 HB3 LYS A 71 0.017 -4.016 -8.955 1.00 64.32 H new ATOM 0 HG2 LYS A 71 2.299 -3.205 -9.427 1.00 33.32 H new ATOM 0 HG3 LYS A 71 2.620 -4.605 -10.430 1.00 33.32 H new ATOM 0 HD2 LYS A 71 2.094 -2.626 -11.820 1.00 25.15 H new ATOM 0 HD3 LYS A 71 0.904 -3.890 -12.059 1.00 25.15 H new ATOM 0 HE2 LYS A 71 -0.716 -2.728 -10.640 1.00 11.30 H new ATOM 0 HE3 LYS A 71 0.482 -1.544 -10.156 1.00 11.30 H new ATOM 0 HZ1 LYS A 71 -0.973 -0.673 -11.862 1.00 14.22 H new ATOM 0 HZ2 LYS A 71 0.615 -0.780 -12.454 1.00 14.22 H new ATOM 0 HZ3 LYS A 71 -0.546 -1.928 -12.922 1.00 14.22 H new ATOM 1121 N ASP A 72 3.592 -6.506 -8.142 1.00 41.44 N ATOM 1122 CA ASP A 72 4.719 -7.333 -8.628 1.00 65.24 C ATOM 1123 C ASP A 72 4.546 -8.825 -8.223 1.00 54.21 C ATOM 1124 O ASP A 72 4.062 -9.135 -7.127 1.00 45.52 O ATOM 1125 CB ASP A 72 6.081 -6.765 -8.117 1.00 43.52 C ATOM 1126 CG ASP A 72 7.284 -7.083 -9.025 1.00 64.31 C ATOM 1127 OD1 ASP A 72 7.114 -7.717 -10.096 1.00 64.42 O ATOM 1128 OD2 ASP A 72 8.417 -6.691 -8.683 1.00 31.33 O ATOM 0 H ASP A 72 3.836 -5.887 -7.369 1.00 41.44 H new ATOM 0 HA ASP A 72 4.720 -7.290 -9.717 1.00 65.24 H new ATOM 0 HB2 ASP A 72 5.994 -5.683 -8.015 1.00 43.52 H new ATOM 0 HB3 ASP A 72 6.277 -7.164 -7.122 1.00 43.52 H new ATOM 1133 N ALA A 73 4.964 -9.736 -9.127 1.00 43.13 N ATOM 1134 CA ALA A 73 4.756 -11.198 -8.969 1.00 50.14 C ATOM 1135 C ALA A 73 5.662 -11.832 -7.880 1.00 34.42 C ATOM 1136 O ALA A 73 5.384 -12.944 -7.415 1.00 22.33 O ATOM 1137 CB ALA A 73 4.952 -11.903 -10.322 1.00 65.23 C ATOM 0 H ALA A 73 5.454 -9.484 -9.985 1.00 43.13 H new ATOM 0 HA ALA A 73 3.731 -11.340 -8.627 1.00 50.14 H new ATOM 0 HB1 ALA A 73 4.798 -12.975 -10.199 1.00 65.23 H new ATOM 0 HB2 ALA A 73 4.233 -11.513 -11.043 1.00 65.23 H new ATOM 0 HB3 ALA A 73 5.964 -11.721 -10.684 1.00 65.23 H new ATOM 1143 N LYS A 74 6.734 -11.119 -7.476 1.00 65.20 N ATOM 1144 CA LYS A 74 7.662 -11.594 -6.418 1.00 1.21 C ATOM 1145 C LYS A 74 6.978 -11.505 -5.034 1.00 21.25 C ATOM 1146 O LYS A 74 7.033 -12.454 -4.241 1.00 10.23 O ATOM 1147 CB LYS A 74 9.005 -10.796 -6.387 1.00 54.05 C ATOM 1148 CG LYS A 74 9.854 -10.848 -7.690 1.00 41.20 C ATOM 1149 CD LYS A 74 9.285 -9.955 -8.808 1.00 72.21 C ATOM 1150 CE LYS A 74 10.197 -9.816 -10.031 1.00 44.34 C ATOM 1151 NZ LYS A 74 9.678 -8.787 -10.971 1.00 21.05 N ATOM 0 H LYS A 74 6.982 -10.209 -7.865 1.00 65.20 H new ATOM 0 HA LYS A 74 7.904 -12.630 -6.654 1.00 1.21 H new ATOM 0 HB2 LYS A 74 8.781 -9.753 -6.163 1.00 54.05 H new ATOM 0 HB3 LYS A 74 9.612 -11.175 -5.565 1.00 54.05 H new ATOM 0 HG2 LYS A 74 10.874 -10.537 -7.466 1.00 41.20 H new ATOM 0 HG3 LYS A 74 9.905 -11.878 -8.044 1.00 41.20 H new ATOM 0 HD2 LYS A 74 8.326 -10.362 -9.129 1.00 72.21 H new ATOM 0 HD3 LYS A 74 9.090 -8.963 -8.400 1.00 72.21 H new ATOM 0 HE2 LYS A 74 11.203 -9.545 -9.710 1.00 44.34 H new ATOM 0 HE3 LYS A 74 10.273 -10.775 -10.543 1.00 44.34 H new ATOM 0 HZ1 LYS A 74 9.565 -9.206 -11.916 1.00 21.05 H new ATOM 0 HZ2 LYS A 74 8.757 -8.441 -10.633 1.00 21.05 H new ATOM 0 HZ3 LYS A 74 10.348 -7.993 -11.022 1.00 21.05 H new ATOM 1165 N ASN A 75 6.328 -10.345 -4.757 1.00 21.20 N ATOM 1166 CA ASN A 75 5.589 -10.103 -3.488 1.00 31.43 C ATOM 1167 C ASN A 75 4.097 -9.704 -3.750 1.00 13.21 C ATOM 1168 O ASN A 75 3.741 -8.517 -3.667 1.00 21.24 O ATOM 1169 CB ASN A 75 6.298 -9.008 -2.620 1.00 13.34 C ATOM 1170 CG ASN A 75 7.714 -9.369 -2.155 1.00 52.30 C ATOM 1171 OD1 ASN A 75 8.500 -9.960 -2.878 1.00 32.51 O ATOM 1172 ND2 ASN A 75 8.051 -9.024 -0.926 1.00 14.20 N ATOM 0 H ASN A 75 6.301 -9.555 -5.402 1.00 21.20 H new ATOM 0 HA ASN A 75 5.593 -11.042 -2.935 1.00 31.43 H new ATOM 0 HB2 ASN A 75 6.345 -8.083 -3.195 1.00 13.34 H new ATOM 0 HB3 ASN A 75 5.683 -8.807 -1.743 1.00 13.34 H new ATOM 0 HD21 ASN A 75 8.979 -9.251 -0.569 1.00 14.20 H new ATOM 0 HD22 ASN A 75 7.383 -8.530 -0.334 1.00 14.20 H new ATOM 1179 N PRO A 76 3.195 -10.684 -4.109 1.00 70.14 N ATOM 1180 CA PRO A 76 1.729 -10.452 -4.089 1.00 52.32 C ATOM 1181 C PRO A 76 1.162 -10.503 -2.644 1.00 33.32 C ATOM 1182 O PRO A 76 0.146 -9.872 -2.340 1.00 0.22 O ATOM 1183 CB PRO A 76 1.180 -11.597 -4.975 1.00 4.03 C ATOM 1184 CG PRO A 76 2.173 -12.712 -4.814 1.00 35.12 C ATOM 1185 CD PRO A 76 3.523 -12.049 -4.612 1.00 30.31 C ATOM 0 HA PRO A 76 1.444 -9.466 -4.455 1.00 52.32 H new ATOM 0 HB2 PRO A 76 0.184 -11.904 -4.654 1.00 4.03 H new ATOM 0 HB3 PRO A 76 1.098 -11.287 -6.017 1.00 4.03 H new ATOM 0 HG2 PRO A 76 1.917 -13.342 -3.962 1.00 35.12 H new ATOM 0 HG3 PRO A 76 2.183 -13.355 -5.694 1.00 35.12 H new ATOM 0 HD2 PRO A 76 4.133 -12.600 -3.896 1.00 30.31 H new ATOM 0 HD3 PRO A 76 4.087 -12.004 -5.544 1.00 30.31 H new ATOM 1193 N ASP A 77 1.860 -11.254 -1.757 1.00 2.34 N ATOM 1194 CA ASP A 77 1.543 -11.334 -0.313 1.00 72.44 C ATOM 1195 C ASP A 77 1.796 -10.001 0.417 1.00 30.53 C ATOM 1196 O ASP A 77 1.280 -9.791 1.509 1.00 4.22 O ATOM 1197 CB ASP A 77 2.358 -12.471 0.345 1.00 42.34 C ATOM 1198 CG ASP A 77 1.962 -13.852 -0.191 1.00 51.00 C ATOM 1199 OD1 ASP A 77 2.391 -14.207 -1.307 1.00 4.11 O ATOM 1200 OD2 ASP A 77 1.194 -14.574 0.487 1.00 25.11 O ATOM 0 H ASP A 77 2.662 -11.823 -2.026 1.00 2.34 H new ATOM 0 HA ASP A 77 0.478 -11.550 -0.224 1.00 72.44 H new ATOM 0 HB2 ASP A 77 3.420 -12.305 0.166 1.00 42.34 H new ATOM 0 HB3 ASP A 77 2.208 -12.445 1.424 1.00 42.34 H new ATOM 1205 N LEU A 78 2.593 -9.109 -0.198 1.00 73.23 N ATOM 1206 CA LEU A 78 2.844 -7.749 0.329 1.00 75.23 C ATOM 1207 C LEU A 78 1.518 -6.953 0.463 1.00 10.21 C ATOM 1208 O LEU A 78 1.164 -6.501 1.555 1.00 20.33 O ATOM 1209 CB LEU A 78 3.838 -7.002 -0.601 1.00 0.32 C ATOM 1210 CG LEU A 78 4.162 -5.518 -0.235 1.00 0.42 C ATOM 1211 CD1 LEU A 78 4.789 -5.403 1.176 1.00 2.21 C ATOM 1212 CD2 LEU A 78 5.059 -4.877 -1.318 1.00 23.33 C ATOM 0 H LEU A 78 3.081 -9.306 -1.072 1.00 73.23 H new ATOM 0 HA LEU A 78 3.283 -7.835 1.323 1.00 75.23 H new ATOM 0 HB2 LEU A 78 4.774 -7.560 -0.617 1.00 0.32 H new ATOM 0 HB3 LEU A 78 3.437 -7.023 -1.614 1.00 0.32 H new ATOM 0 HG LEU A 78 3.224 -4.963 -0.206 1.00 0.42 H new ATOM 0 HD11 LEU A 78 5.001 -4.357 1.396 1.00 2.21 H new ATOM 0 HD12 LEU A 78 4.092 -5.796 1.917 1.00 2.21 H new ATOM 0 HD13 LEU A 78 5.716 -5.976 1.210 1.00 2.21 H new ATOM 0 HD21 LEU A 78 5.275 -3.844 -1.047 1.00 23.33 H new ATOM 0 HD22 LEU A 78 5.992 -5.435 -1.394 1.00 23.33 H new ATOM 0 HD23 LEU A 78 4.543 -4.900 -2.278 1.00 23.33 H new ATOM 1224 N ARG A 79 0.778 -6.841 -0.659 1.00 3.12 N ATOM 1225 CA ARG A 79 -0.523 -6.133 -0.693 1.00 51.30 C ATOM 1226 C ARG A 79 -1.627 -6.975 -0.003 1.00 52.20 C ATOM 1227 O ARG A 79 -2.514 -6.420 0.642 1.00 65.44 O ATOM 1228 CB ARG A 79 -0.926 -5.787 -2.156 1.00 4.31 C ATOM 1229 CG ARG A 79 -1.257 -6.996 -3.047 1.00 20.24 C ATOM 1230 CD ARG A 79 -1.709 -6.598 -4.459 1.00 20.02 C ATOM 1231 NE ARG A 79 -2.178 -7.764 -5.213 1.00 12.02 N ATOM 1232 CZ ARG A 79 -1.539 -8.379 -6.178 1.00 73.04 C ATOM 1233 NH1 ARG A 79 -0.362 -8.013 -6.559 1.00 53.52 N ATOM 1234 NH2 ARG A 79 -2.096 -9.383 -6.753 1.00 43.21 N ATOM 0 H ARG A 79 1.059 -7.233 -1.558 1.00 3.12 H new ATOM 0 HA ARG A 79 -0.414 -5.199 -0.141 1.00 51.30 H new ATOM 0 HB2 ARG A 79 -1.793 -5.126 -2.131 1.00 4.31 H new ATOM 0 HB3 ARG A 79 -0.112 -5.228 -2.618 1.00 4.31 H new ATOM 0 HG2 ARG A 79 -0.378 -7.637 -3.120 1.00 20.24 H new ATOM 0 HG3 ARG A 79 -2.042 -7.585 -2.573 1.00 20.24 H new ATOM 0 HD2 ARG A 79 -2.507 -5.859 -4.393 1.00 20.02 H new ATOM 0 HD3 ARG A 79 -0.881 -6.127 -4.990 1.00 20.02 H new ATOM 0 HE ARG A 79 -3.094 -8.134 -4.961 1.00 12.02 H new ATOM 0 HH11 ARG A 79 0.098 -7.224 -6.106 1.00 53.52 H new ATOM 0 HH12 ARG A 79 0.108 -8.513 -7.313 1.00 53.52 H new ATOM 0 HH21 ARG A 79 -3.022 -9.691 -6.457 1.00 43.21 H new ATOM 0 HH22 ARG A 79 -1.612 -9.873 -7.506 1.00 43.21 H new ATOM 1248 N ARG A 80 -1.538 -8.320 -0.142 1.00 42.00 N ATOM 1249 CA ARG A 80 -2.478 -9.289 0.481 1.00 74.41 C ATOM 1250 C ARG A 80 -2.508 -9.160 2.025 1.00 30.44 C ATOM 1251 O ARG A 80 -3.577 -9.200 2.631 1.00 50.24 O ATOM 1252 CB ARG A 80 -2.093 -10.736 0.040 1.00 3.34 C ATOM 1253 CG ARG A 80 -2.777 -11.877 0.827 1.00 73.10 C ATOM 1254 CD ARG A 80 -2.372 -13.282 0.346 1.00 41.24 C ATOM 1255 NE ARG A 80 -2.804 -14.319 1.302 1.00 3.05 N ATOM 1256 CZ ARG A 80 -3.510 -15.391 1.029 1.00 72.55 C ATOM 1257 NH1 ARG A 80 -3.929 -15.645 -0.164 1.00 70.23 N ATOM 1258 NH2 ARG A 80 -3.794 -16.211 1.974 1.00 64.31 N ATOM 0 H ARG A 80 -0.807 -8.768 -0.694 1.00 42.00 H new ATOM 0 HA ARG A 80 -3.487 -9.064 0.135 1.00 74.41 H new ATOM 0 HB2 ARG A 80 -2.335 -10.851 -1.017 1.00 3.34 H new ATOM 0 HB3 ARG A 80 -1.013 -10.850 0.134 1.00 3.34 H new ATOM 0 HG2 ARG A 80 -2.530 -11.778 1.884 1.00 73.10 H new ATOM 0 HG3 ARG A 80 -3.858 -11.770 0.741 1.00 73.10 H new ATOM 0 HD2 ARG A 80 -2.815 -13.477 -0.630 1.00 41.24 H new ATOM 0 HD3 ARG A 80 -1.290 -13.328 0.220 1.00 41.24 H new ATOM 0 HE ARG A 80 -2.526 -14.190 2.275 1.00 3.05 H new ATOM 0 HH11 ARG A 80 -3.714 -15.004 -0.928 1.00 70.23 H new ATOM 0 HH12 ARG A 80 -4.476 -16.487 -0.344 1.00 70.23 H new ATOM 0 HH21 ARG A 80 -3.472 -16.026 2.924 1.00 64.31 H new ATOM 0 HH22 ARG A 80 -4.342 -17.048 1.775 1.00 64.31 H new ATOM 1272 N ASN A 81 -1.325 -8.984 2.641 1.00 5.11 N ATOM 1273 CA ASN A 81 -1.196 -8.800 4.108 1.00 41.13 C ATOM 1274 C ASN A 81 -1.767 -7.435 4.568 1.00 51.24 C ATOM 1275 O ASN A 81 -2.270 -7.329 5.684 1.00 25.24 O ATOM 1276 CB ASN A 81 0.281 -8.955 4.562 1.00 65.23 C ATOM 1277 CG ASN A 81 0.806 -10.393 4.461 1.00 61.03 C ATOM 1278 OD1 ASN A 81 0.059 -11.352 4.571 1.00 72.12 O ATOM 1279 ND2 ASN A 81 2.102 -10.556 4.259 1.00 33.31 N ATOM 0 H ASN A 81 -0.434 -8.964 2.145 1.00 5.11 H new ATOM 0 HA ASN A 81 -1.787 -9.583 4.584 1.00 41.13 H new ATOM 0 HB2 ASN A 81 0.910 -8.304 3.954 1.00 65.23 H new ATOM 0 HB3 ASN A 81 0.373 -8.615 5.593 1.00 65.23 H new ATOM 0 HD21 ASN A 81 2.494 -11.495 4.193 1.00 33.31 H new ATOM 0 HD22 ASN A 81 2.711 -9.742 4.170 1.00 33.31 H new ATOM 1286 N VAL A 82 -1.677 -6.397 3.708 1.00 13.05 N ATOM 1287 CA VAL A 82 -2.312 -5.077 3.976 1.00 34.30 C ATOM 1288 C VAL A 82 -3.861 -5.208 3.968 1.00 45.42 C ATOM 1289 O VAL A 82 -4.557 -4.666 4.835 1.00 33.34 O ATOM 1290 CB VAL A 82 -1.854 -3.975 2.936 1.00 3.13 C ATOM 1291 CG1 VAL A 82 -2.475 -2.587 3.252 1.00 63.43 C ATOM 1292 CG2 VAL A 82 -0.311 -3.888 2.862 1.00 3.30 C ATOM 0 H VAL A 82 -1.173 -6.442 2.822 1.00 13.05 H new ATOM 0 HA VAL A 82 -1.983 -4.755 4.964 1.00 34.30 H new ATOM 0 HB VAL A 82 -2.225 -4.281 1.958 1.00 3.13 H new ATOM 0 HG11 VAL A 82 -2.135 -1.860 2.515 1.00 63.43 H new ATOM 0 HG12 VAL A 82 -3.562 -2.658 3.217 1.00 63.43 H new ATOM 0 HG13 VAL A 82 -2.164 -2.267 4.247 1.00 63.43 H new ATOM 0 HG21 VAL A 82 -0.024 -3.123 2.140 1.00 3.30 H new ATOM 0 HG22 VAL A 82 0.086 -3.628 3.843 1.00 3.30 H new ATOM 0 HG23 VAL A 82 0.093 -4.851 2.550 1.00 3.30 H new ATOM 1302 N LEU A 83 -4.366 -5.976 2.985 1.00 41.01 N ATOM 1303 CA LEU A 83 -5.808 -6.271 2.818 1.00 74.44 C ATOM 1304 C LEU A 83 -6.344 -7.204 3.935 1.00 61.20 C ATOM 1305 O LEU A 83 -7.515 -7.128 4.313 1.00 24.35 O ATOM 1306 CB LEU A 83 -6.043 -6.899 1.419 1.00 33.13 C ATOM 1307 CG LEU A 83 -5.654 -6.003 0.195 1.00 31.33 C ATOM 1308 CD1 LEU A 83 -5.663 -6.800 -1.126 1.00 63.42 C ATOM 1309 CD2 LEU A 83 -6.564 -4.761 0.096 1.00 34.42 C ATOM 0 H LEU A 83 -3.781 -6.416 2.275 1.00 41.01 H new ATOM 0 HA LEU A 83 -6.361 -5.335 2.898 1.00 74.44 H new ATOM 0 HB2 LEU A 83 -5.477 -7.828 1.359 1.00 33.13 H new ATOM 0 HB3 LEU A 83 -7.097 -7.162 1.332 1.00 33.13 H new ATOM 0 HG LEU A 83 -4.633 -5.660 0.363 1.00 31.33 H new ATOM 0 HD11 LEU A 83 -5.388 -6.142 -1.950 1.00 63.42 H new ATOM 0 HD12 LEU A 83 -4.947 -7.619 -1.061 1.00 63.42 H new ATOM 0 HD13 LEU A 83 -6.661 -7.203 -1.301 1.00 63.42 H new ATOM 0 HD21 LEU A 83 -6.268 -4.160 -0.764 1.00 34.42 H new ATOM 0 HD22 LEU A 83 -7.600 -5.078 -0.023 1.00 34.42 H new ATOM 0 HD23 LEU A 83 -6.468 -4.166 1.004 1.00 34.42 H new ATOM 1321 N CYS A 84 -5.467 -8.086 4.446 1.00 21.41 N ATOM 1322 CA CYS A 84 -5.800 -9.037 5.536 1.00 75.21 C ATOM 1323 C CYS A 84 -5.615 -8.397 6.933 1.00 2.11 C ATOM 1324 O CYS A 84 -6.112 -8.926 7.934 1.00 25.12 O ATOM 1325 CB CYS A 84 -4.930 -10.310 5.402 1.00 50.14 C ATOM 1326 SG CYS A 84 -5.381 -11.661 6.517 1.00 34.44 S ATOM 0 H CYS A 84 -4.504 -8.164 4.118 1.00 21.41 H new ATOM 0 HA CYS A 84 -6.852 -9.306 5.441 1.00 75.21 H new ATOM 0 HB2 CYS A 84 -4.993 -10.669 4.375 1.00 50.14 H new ATOM 0 HB3 CYS A 84 -3.889 -10.042 5.582 1.00 50.14 H new ATOM 0 HG CYS A 84 -5.866 -11.171 7.619 1.00 34.44 H new ATOM 1332 N GLY A 85 -4.905 -7.250 6.988 1.00 24.21 N ATOM 1333 CA GLY A 85 -4.654 -6.524 8.246 1.00 43.24 C ATOM 1334 C GLY A 85 -3.419 -7.006 9.023 1.00 74.13 C ATOM 1335 O GLY A 85 -3.214 -6.604 10.175 1.00 45.42 O ATOM 0 H GLY A 85 -4.494 -6.806 6.167 1.00 24.21 H new ATOM 0 HA2 GLY A 85 -4.536 -5.464 8.022 1.00 43.24 H new ATOM 0 HA3 GLY A 85 -5.531 -6.619 8.887 1.00 43.24 H new ATOM 1339 N ALA A 86 -2.616 -7.892 8.401 1.00 21.15 N ATOM 1340 CA ALA A 86 -1.317 -8.344 8.952 1.00 11.22 C ATOM 1341 C ALA A 86 -0.288 -7.186 8.930 1.00 30.11 C ATOM 1342 O ALA A 86 0.303 -6.839 9.958 1.00 14.31 O ATOM 1343 CB ALA A 86 -0.806 -9.560 8.168 1.00 22.41 C ATOM 0 H ALA A 86 -2.847 -8.316 7.503 1.00 21.15 H new ATOM 0 HA ALA A 86 -1.456 -8.645 9.990 1.00 11.22 H new ATOM 0 HB1 ALA A 86 0.149 -9.884 8.581 1.00 22.41 H new ATOM 0 HB2 ALA A 86 -1.529 -10.372 8.245 1.00 22.41 H new ATOM 0 HB3 ALA A 86 -0.675 -9.289 7.120 1.00 22.41 H new ATOM 1349 N ILE A 87 -0.090 -6.599 7.737 1.00 60.14 N ATOM 1350 CA ILE A 87 0.644 -5.325 7.568 1.00 51.23 C ATOM 1351 C ILE A 87 -0.369 -4.163 7.672 1.00 4.22 C ATOM 1352 O ILE A 87 -1.355 -4.132 6.927 1.00 53.31 O ATOM 1353 CB ILE A 87 1.397 -5.270 6.179 1.00 51.03 C ATOM 1354 CG1 ILE A 87 2.466 -6.413 6.078 1.00 52.13 C ATOM 1355 CG2 ILE A 87 2.048 -3.877 5.924 1.00 23.15 C ATOM 1356 CD1 ILE A 87 3.191 -6.494 4.740 1.00 11.23 C ATOM 0 H ILE A 87 -0.433 -6.992 6.860 1.00 60.14 H new ATOM 0 HA ILE A 87 1.400 -5.242 8.349 1.00 51.23 H new ATOM 0 HB ILE A 87 0.651 -5.426 5.400 1.00 51.03 H new ATOM 0 HG12 ILE A 87 3.204 -6.271 6.867 1.00 52.13 H new ATOM 0 HG13 ILE A 87 1.976 -7.368 6.268 1.00 52.13 H new ATOM 0 HG21 ILE A 87 2.555 -3.883 4.959 1.00 23.15 H new ATOM 0 HG22 ILE A 87 1.275 -3.109 5.923 1.00 23.15 H new ATOM 0 HG23 ILE A 87 2.770 -3.663 6.712 1.00 23.15 H new ATOM 0 HD11 ILE A 87 3.910 -7.313 4.765 1.00 11.23 H new ATOM 0 HD12 ILE A 87 2.467 -6.670 3.944 1.00 11.23 H new ATOM 0 HD13 ILE A 87 3.715 -5.557 4.553 1.00 11.23 H new ATOM 1368 N THR A 88 -0.141 -3.228 8.609 1.00 31.42 N ATOM 1369 CA THR A 88 -1.038 -2.066 8.798 1.00 24.03 C ATOM 1370 C THR A 88 -0.830 -1.015 7.675 1.00 1.45 C ATOM 1371 O THR A 88 0.257 -0.950 7.078 1.00 54.12 O ATOM 1372 CB THR A 88 -0.816 -1.369 10.187 1.00 51.11 C ATOM 1373 OG1 THR A 88 0.458 -0.704 10.209 1.00 74.54 O ATOM 1374 CG2 THR A 88 -0.895 -2.372 11.354 1.00 23.00 C ATOM 0 H THR A 88 0.654 -3.250 9.248 1.00 31.42 H new ATOM 0 HA THR A 88 -2.056 -2.454 8.759 1.00 24.03 H new ATOM 0 HB THR A 88 -1.616 -0.640 10.316 1.00 51.11 H new ATOM 0 HG1 THR A 88 0.657 -0.409 11.122 1.00 74.54 H new ATOM 0 HG21 THR A 88 -0.736 -1.847 12.296 1.00 23.00 H new ATOM 0 HG22 THR A 88 -1.878 -2.843 11.363 1.00 23.00 H new ATOM 0 HG23 THR A 88 -0.127 -3.136 11.230 1.00 23.00 H new ATOM 1382 N PRO A 89 -1.879 -0.184 7.353 1.00 50.11 N ATOM 1383 CA PRO A 89 -1.739 0.995 6.449 1.00 63.13 C ATOM 1384 C PRO A 89 -0.590 1.965 6.843 1.00 51.42 C ATOM 1385 O PRO A 89 -0.085 2.711 5.994 1.00 13.15 O ATOM 1386 CB PRO A 89 -3.119 1.686 6.564 1.00 2.30 C ATOM 1387 CG PRO A 89 -4.067 0.564 6.854 1.00 2.41 C ATOM 1388 CD PRO A 89 -3.301 -0.366 7.775 1.00 64.41 C ATOM 0 HA PRO A 89 -1.472 0.691 5.437 1.00 63.13 H new ATOM 0 HB2 PRO A 89 -3.127 2.430 7.360 1.00 2.30 H new ATOM 0 HB3 PRO A 89 -3.384 2.203 5.642 1.00 2.30 H new ATOM 0 HG2 PRO A 89 -4.977 0.929 7.329 1.00 2.41 H new ATOM 0 HG3 PRO A 89 -4.368 0.054 5.939 1.00 2.41 H new ATOM 0 HD2 PRO A 89 -3.445 -0.102 8.823 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -3.624 -1.401 7.660 1.00 64.41 H new ATOM 1396 N GLN A 90 -0.194 1.948 8.137 1.00 13.33 N ATOM 1397 CA GLN A 90 0.977 2.703 8.625 1.00 5.11 C ATOM 1398 C GLN A 90 2.292 2.055 8.148 1.00 1.53 C ATOM 1399 O GLN A 90 3.169 2.743 7.624 1.00 23.02 O ATOM 1400 CB GLN A 90 0.985 2.776 10.174 1.00 53.03 C ATOM 1401 CG GLN A 90 2.121 3.657 10.763 1.00 1.43 C ATOM 1402 CD GLN A 90 2.497 3.289 12.199 1.00 41.30 C ATOM 1403 OE1 GLN A 90 1.928 3.792 13.165 1.00 52.42 O ATOM 1404 NE2 GLN A 90 3.474 2.416 12.352 1.00 54.55 N ATOM 0 H GLN A 90 -0.673 1.416 8.863 1.00 13.33 H new ATOM 0 HA GLN A 90 0.903 3.711 8.216 1.00 5.11 H new ATOM 0 HB2 GLN A 90 0.025 3.165 10.513 1.00 53.03 H new ATOM 0 HB3 GLN A 90 1.079 1.766 10.574 1.00 53.03 H new ATOM 0 HG2 GLN A 90 3.004 3.568 10.130 1.00 1.43 H new ATOM 0 HG3 GLN A 90 1.812 4.702 10.733 1.00 1.43 H new ATOM 0 HE21 GLN A 90 3.930 2.013 11.534 1.00 54.55 H new ATOM 0 HE22 GLN A 90 3.773 2.144 13.289 1.00 54.55 H new ATOM 1413 N GLN A 91 2.398 0.715 8.317 1.00 64.30 N ATOM 1414 CA GLN A 91 3.625 -0.047 7.984 1.00 24.34 C ATOM 1415 C GLN A 91 3.982 0.080 6.496 1.00 62.22 C ATOM 1416 O GLN A 91 5.087 0.467 6.166 1.00 62.13 O ATOM 1417 CB GLN A 91 3.506 -1.542 8.398 1.00 75.13 C ATOM 1418 CG GLN A 91 3.433 -1.796 9.915 1.00 22.12 C ATOM 1419 CD GLN A 91 4.616 -1.198 10.686 1.00 42.32 C ATOM 1420 OE1 GLN A 91 4.569 -0.057 11.142 1.00 21.24 O ATOM 1421 NE2 GLN A 91 5.685 -1.955 10.831 1.00 41.33 N ATOM 0 H GLN A 91 1.643 0.137 8.685 1.00 64.30 H new ATOM 0 HA GLN A 91 4.437 0.393 8.562 1.00 24.34 H new ATOM 0 HB2 GLN A 91 2.615 -1.962 7.932 1.00 75.13 H new ATOM 0 HB3 GLN A 91 4.362 -2.084 7.995 1.00 75.13 H new ATOM 0 HG2 GLN A 91 2.505 -1.375 10.303 1.00 22.12 H new ATOM 0 HG3 GLN A 91 3.396 -2.870 10.095 1.00 22.12 H new ATOM 0 HE21 GLN A 91 5.698 -2.898 10.443 1.00 41.33 H new ATOM 0 HE22 GLN A 91 6.499 -1.598 11.331 1.00 41.33 H new ATOM 1430 N ILE A 92 3.019 -0.193 5.608 1.00 61.43 N ATOM 1431 CA ILE A 92 3.238 -0.100 4.140 1.00 24.32 C ATOM 1432 C ILE A 92 3.568 1.367 3.682 1.00 52.31 C ATOM 1433 O ILE A 92 4.218 1.580 2.651 1.00 72.53 O ATOM 1434 CB ILE A 92 1.999 -0.690 3.358 1.00 21.04 C ATOM 1435 CG1 ILE A 92 2.301 -0.857 1.827 1.00 41.24 C ATOM 1436 CG2 ILE A 92 0.728 0.154 3.596 1.00 62.32 C ATOM 1437 CD1 ILE A 92 3.463 -1.797 1.512 1.00 63.31 C ATOM 0 H ILE A 92 2.076 -0.481 5.870 1.00 61.43 H new ATOM 0 HA ILE A 92 4.113 -0.703 3.897 1.00 24.32 H new ATOM 0 HB ILE A 92 1.811 -1.686 3.758 1.00 21.04 H new ATOM 0 HG12 ILE A 92 1.404 -1.228 1.331 1.00 41.24 H new ATOM 0 HG13 ILE A 92 2.517 0.123 1.403 1.00 41.24 H new ATOM 0 HG21 ILE A 92 -0.106 -0.280 3.043 1.00 62.32 H new ATOM 0 HG22 ILE A 92 0.492 0.164 4.660 1.00 62.32 H new ATOM 0 HG23 ILE A 92 0.899 1.174 3.253 1.00 62.32 H new ATOM 0 HD11 ILE A 92 3.602 -1.854 0.432 1.00 63.31 H new ATOM 0 HD12 ILE A 92 4.374 -1.418 1.976 1.00 63.31 H new ATOM 0 HD13 ILE A 92 3.243 -2.791 1.903 1.00 63.31 H new ATOM 1449 N ALA A 93 3.149 2.364 4.497 1.00 1.51 N ATOM 1450 CA ALA A 93 3.434 3.802 4.254 1.00 42.24 C ATOM 1451 C ALA A 93 4.849 4.229 4.751 1.00 74.55 C ATOM 1452 O ALA A 93 5.468 5.127 4.164 1.00 25.31 O ATOM 1453 CB ALA A 93 2.353 4.669 4.921 1.00 32.01 C ATOM 0 H ALA A 93 2.604 2.196 5.342 1.00 1.51 H new ATOM 0 HA ALA A 93 3.419 3.955 3.175 1.00 42.24 H new ATOM 0 HB1 ALA A 93 2.568 5.722 4.739 1.00 32.01 H new ATOM 0 HB2 ALA A 93 1.378 4.420 4.503 1.00 32.01 H new ATOM 0 HB3 ALA A 93 2.346 4.480 5.995 1.00 32.01 H new ATOM 1459 N VAL A 94 5.349 3.597 5.838 1.00 2.24 N ATOM 1460 CA VAL A 94 6.664 3.956 6.453 1.00 74.14 C ATOM 1461 C VAL A 94 7.829 3.056 5.944 1.00 50.44 C ATOM 1462 O VAL A 94 8.990 3.484 5.947 1.00 75.24 O ATOM 1463 CB VAL A 94 6.603 3.915 8.036 1.00 1.22 C ATOM 1464 CG1 VAL A 94 5.538 4.897 8.593 1.00 32.53 C ATOM 1465 CG2 VAL A 94 6.372 2.479 8.574 1.00 3.32 C ATOM 0 H VAL A 94 4.867 2.834 6.313 1.00 2.24 H new ATOM 0 HA VAL A 94 6.870 4.979 6.137 1.00 74.14 H new ATOM 0 HB VAL A 94 7.579 4.242 8.395 1.00 1.22 H new ATOM 0 HG11 VAL A 94 5.525 4.841 9.681 1.00 32.53 H new ATOM 0 HG12 VAL A 94 5.784 5.913 8.285 1.00 32.53 H new ATOM 0 HG13 VAL A 94 4.556 4.627 8.204 1.00 32.53 H new ATOM 0 HG21 VAL A 94 6.337 2.500 9.663 1.00 3.32 H new ATOM 0 HG22 VAL A 94 5.428 2.093 8.188 1.00 3.32 H new ATOM 0 HG23 VAL A 94 7.188 1.833 8.249 1.00 3.32 H new ATOM 1475 N MET A 95 7.518 1.815 5.510 1.00 53.33 N ATOM 1476 CA MET A 95 8.540 0.838 5.035 1.00 65.42 C ATOM 1477 C MET A 95 9.011 1.164 3.599 1.00 75.21 C ATOM 1478 O MET A 95 8.190 1.432 2.717 1.00 64.25 O ATOM 1479 CB MET A 95 7.999 -0.626 5.066 1.00 63.45 C ATOM 1480 CG MET A 95 7.689 -1.188 6.460 1.00 22.24 C ATOM 1481 SD MET A 95 7.261 -2.949 6.426 1.00 62.21 S ATOM 1482 CE MET A 95 5.882 -2.996 5.270 1.00 3.53 C ATOM 0 H MET A 95 6.563 1.458 5.476 1.00 53.33 H new ATOM 0 HA MET A 95 9.384 0.921 5.720 1.00 65.42 H new ATOM 0 HB2 MET A 95 7.091 -0.672 4.465 1.00 63.45 H new ATOM 0 HB3 MET A 95 8.731 -1.275 4.587 1.00 63.45 H new ATOM 0 HG2 MET A 95 8.554 -1.041 7.107 1.00 22.24 H new ATOM 0 HG3 MET A 95 6.864 -0.626 6.898 1.00 22.24 H new ATOM 0 HE1 MET A 95 5.176 -3.768 5.577 1.00 3.53 H new ATOM 0 HE2 MET A 95 5.381 -2.028 5.262 1.00 3.53 H new ATOM 0 HE3 MET A 95 6.253 -3.221 4.270 1.00 3.53 H new ATOM 1492 N THR A 96 10.334 1.131 3.383 1.00 70.05 N ATOM 1493 CA THR A 96 10.937 1.204 2.029 1.00 75.11 C ATOM 1494 C THR A 96 10.794 -0.152 1.300 1.00 54.10 C ATOM 1495 O THR A 96 10.529 -1.168 1.941 1.00 74.13 O ATOM 1496 CB THR A 96 12.453 1.583 2.102 1.00 71.24 C ATOM 1497 OG1 THR A 96 13.176 0.601 2.861 1.00 1.53 O ATOM 1498 CG2 THR A 96 12.680 2.966 2.728 1.00 53.42 C ATOM 0 H THR A 96 11.020 1.053 4.134 1.00 70.05 H new ATOM 0 HA THR A 96 10.405 1.978 1.477 1.00 75.11 H new ATOM 0 HB THR A 96 12.820 1.612 1.076 1.00 71.24 H new ATOM 0 HG1 THR A 96 13.923 0.259 2.327 1.00 1.53 H new ATOM 0 HG21 THR A 96 13.748 3.182 2.756 1.00 53.42 H new ATOM 0 HG22 THR A 96 12.172 3.723 2.131 1.00 53.42 H new ATOM 0 HG23 THR A 96 12.281 2.976 3.742 1.00 53.42 H new ATOM 1506 N SER A 97 11.019 -0.157 -0.028 1.00 71.54 N ATOM 1507 CA SER A 97 10.894 -1.365 -0.900 1.00 13.24 C ATOM 1508 C SER A 97 11.778 -2.559 -0.442 1.00 14.24 C ATOM 1509 O SER A 97 11.477 -3.707 -0.768 1.00 12.41 O ATOM 1510 CB SER A 97 11.209 -0.995 -2.370 1.00 71.23 C ATOM 1511 OG SER A 97 12.457 -0.330 -2.481 1.00 44.43 O ATOM 0 H SER A 97 11.296 0.680 -0.541 1.00 71.54 H new ATOM 0 HA SER A 97 9.861 -1.702 -0.814 1.00 13.24 H new ATOM 0 HB2 SER A 97 11.221 -1.899 -2.979 1.00 71.23 H new ATOM 0 HB3 SER A 97 10.418 -0.356 -2.763 1.00 71.23 H new ATOM 0 HG SER A 97 13.134 -0.818 -1.968 1.00 44.43 H new ATOM 1517 N GLU A 98 12.858 -2.274 0.312 1.00 74.44 N ATOM 1518 CA GLU A 98 13.746 -3.312 0.897 1.00 23.35 C ATOM 1519 C GLU A 98 13.037 -4.069 2.059 1.00 24.13 C ATOM 1520 O GLU A 98 13.135 -5.296 2.168 1.00 41.22 O ATOM 1521 CB GLU A 98 15.073 -2.678 1.408 1.00 63.25 C ATOM 1522 CG GLU A 98 15.977 -2.019 0.336 1.00 74.33 C ATOM 1523 CD GLU A 98 15.385 -0.743 -0.284 1.00 71.52 C ATOM 1524 OE1 GLU A 98 15.136 0.219 0.468 1.00 75.44 O ATOM 1525 OE2 GLU A 98 15.142 -0.706 -1.504 1.00 33.40 O ATOM 0 H GLU A 98 13.144 -1.321 0.536 1.00 74.44 H new ATOM 0 HA GLU A 98 13.978 -4.029 0.110 1.00 23.35 H new ATOM 0 HB2 GLU A 98 14.826 -1.925 2.157 1.00 63.25 H new ATOM 0 HB3 GLU A 98 15.650 -3.453 1.913 1.00 63.25 H new ATOM 0 HG2 GLU A 98 16.940 -1.779 0.786 1.00 74.33 H new ATOM 0 HG3 GLU A 98 16.167 -2.741 -0.458 1.00 74.33 H new ATOM 1532 N GLU A 99 12.344 -3.304 2.931 1.00 21.33 N ATOM 1533 CA GLU A 99 11.500 -3.853 4.035 1.00 24.22 C ATOM 1534 C GLU A 99 10.211 -4.521 3.485 1.00 41.10 C ATOM 1535 O GLU A 99 9.737 -5.528 4.020 1.00 30.52 O ATOM 1536 CB GLU A 99 11.127 -2.712 5.024 1.00 53.50 C ATOM 1537 CG GLU A 99 12.306 -2.139 5.838 1.00 25.44 C ATOM 1538 CD GLU A 99 12.786 -3.078 6.968 1.00 0.01 C ATOM 1539 OE1 GLU A 99 13.638 -3.958 6.725 1.00 72.11 O ATOM 1540 OE2 GLU A 99 12.305 -2.938 8.115 1.00 32.23 O ATOM 0 H GLU A 99 12.349 -2.285 2.896 1.00 21.33 H new ATOM 0 HA GLU A 99 12.076 -4.618 4.556 1.00 24.22 H new ATOM 0 HB2 GLU A 99 10.666 -1.900 4.461 1.00 53.50 H new ATOM 0 HB3 GLU A 99 10.374 -3.086 5.718 1.00 53.50 H new ATOM 0 HG2 GLU A 99 13.139 -1.938 5.164 1.00 25.44 H new ATOM 0 HG3 GLU A 99 12.009 -1.184 6.271 1.00 25.44 H new ATOM 1547 N MET A 100 9.670 -3.931 2.403 1.00 32.44 N ATOM 1548 CA MET A 100 8.499 -4.457 1.665 1.00 62.41 C ATOM 1549 C MET A 100 8.841 -5.804 0.960 1.00 20.34 C ATOM 1550 O MET A 100 7.962 -6.650 0.757 1.00 5.33 O ATOM 1551 CB MET A 100 8.022 -3.388 0.638 1.00 4.24 C ATOM 1552 CG MET A 100 7.449 -2.101 1.270 1.00 4.21 C ATOM 1553 SD MET A 100 7.355 -0.705 0.113 1.00 75.31 S ATOM 1554 CE MET A 100 6.369 -1.360 -1.231 1.00 73.01 C ATOM 0 H MET A 100 10.036 -3.064 2.009 1.00 32.44 H new ATOM 0 HA MET A 100 7.692 -4.660 2.369 1.00 62.41 H new ATOM 0 HB2 MET A 100 8.861 -3.120 -0.004 1.00 4.24 H new ATOM 0 HB3 MET A 100 7.261 -3.833 -0.003 1.00 4.24 H new ATOM 0 HG2 MET A 100 6.452 -2.309 1.658 1.00 4.21 H new ATOM 0 HG3 MET A 100 8.069 -1.817 2.121 1.00 4.21 H new ATOM 0 HE1 MET A 100 6.305 -0.620 -2.029 1.00 73.01 H new ATOM 0 HE2 MET A 100 6.834 -2.268 -1.615 1.00 73.01 H new ATOM 0 HE3 MET A 100 5.367 -1.591 -0.868 1.00 73.01 H new ATOM 1564 N ALA A 101 10.131 -5.973 0.590 1.00 33.14 N ATOM 1565 CA ALA A 101 10.673 -7.256 0.083 1.00 33.00 C ATOM 1566 C ALA A 101 11.045 -8.211 1.247 1.00 45.44 C ATOM 1567 O ALA A 101 10.986 -9.433 1.086 1.00 72.11 O ATOM 1568 CB ALA A 101 11.893 -7.002 -0.820 1.00 52.40 C ATOM 0 H ALA A 101 10.824 -5.226 0.634 1.00 33.14 H new ATOM 0 HA ALA A 101 9.895 -7.740 -0.507 1.00 33.00 H new ATOM 0 HB1 ALA A 101 12.280 -7.953 -1.185 1.00 52.40 H new ATOM 0 HB2 ALA A 101 11.597 -6.382 -1.666 1.00 52.40 H new ATOM 0 HB3 ALA A 101 12.668 -6.490 -0.249 1.00 52.40 H new ATOM 1574 N SER A 102 11.401 -7.612 2.414 1.00 73.03 N ATOM 1575 CA SER A 102 11.865 -8.319 3.641 1.00 64.33 C ATOM 1576 C SER A 102 13.220 -9.026 3.400 1.00 1.22 C ATOM 1577 O SER A 102 13.340 -10.246 3.531 1.00 30.44 O ATOM 1578 CB SER A 102 10.787 -9.296 4.188 1.00 3.23 C ATOM 1579 OG SER A 102 9.556 -8.632 4.461 1.00 21.24 O ATOM 0 H SER A 102 11.373 -6.599 2.532 1.00 73.03 H new ATOM 0 HA SER A 102 12.024 -7.566 4.413 1.00 64.33 H new ATOM 0 HB2 SER A 102 10.617 -10.092 3.463 1.00 3.23 H new ATOM 0 HB3 SER A 102 11.154 -9.768 5.099 1.00 3.23 H new ATOM 0 HG SER A 102 9.659 -7.672 4.296 1.00 21.24 H new ATOM 1585 N ASP A 103 14.238 -8.206 3.075 1.00 12.42 N ATOM 1586 CA ASP A 103 15.600 -8.641 2.643 1.00 71.05 C ATOM 1587 C ASP A 103 16.270 -9.679 3.597 1.00 53.21 C ATOM 1588 O ASP A 103 16.925 -10.624 3.141 1.00 44.02 O ATOM 1589 CB ASP A 103 16.501 -7.380 2.500 1.00 74.31 C ATOM 1590 CG ASP A 103 16.725 -6.620 3.827 1.00 5.04 C ATOM 1591 OD1 ASP A 103 15.741 -6.324 4.530 1.00 41.11 O ATOM 1592 OD2 ASP A 103 17.886 -6.331 4.183 1.00 71.42 O ATOM 0 H ASP A 103 14.143 -7.191 3.103 1.00 12.42 H new ATOM 0 HA ASP A 103 15.486 -9.156 1.689 1.00 71.05 H new ATOM 0 HB2 ASP A 103 17.468 -7.680 2.096 1.00 74.31 H new ATOM 0 HB3 ASP A 103 16.049 -6.702 1.776 1.00 74.31 H new ATOM 1597 N GLU A 104 16.091 -9.477 4.914 1.00 12.04 N ATOM 1598 CA GLU A 104 16.659 -10.359 5.962 1.00 23.41 C ATOM 1599 C GLU A 104 15.927 -11.721 6.007 1.00 62.02 C ATOM 1600 O GLU A 104 16.557 -12.773 6.141 1.00 3.14 O ATOM 1601 CB GLU A 104 16.573 -9.640 7.332 1.00 20.15 C ATOM 1602 CG GLU A 104 17.312 -8.282 7.364 1.00 12.10 C ATOM 1603 CD GLU A 104 17.080 -7.485 8.659 1.00 64.14 C ATOM 1604 OE1 GLU A 104 16.047 -6.791 8.765 1.00 72.45 O ATOM 1605 OE2 GLU A 104 17.930 -7.544 9.576 1.00 41.40 O ATOM 0 H GLU A 104 15.549 -8.698 5.288 1.00 12.04 H new ATOM 0 HA GLU A 104 17.703 -10.563 5.726 1.00 23.41 H new ATOM 0 HB2 GLU A 104 15.525 -9.480 7.584 1.00 20.15 H new ATOM 0 HB3 GLU A 104 16.990 -10.290 8.101 1.00 20.15 H new ATOM 0 HG2 GLU A 104 18.381 -8.457 7.241 1.00 12.10 H new ATOM 0 HG3 GLU A 104 16.988 -7.681 6.514 1.00 12.10 H new ATOM 1612 N LEU A 105 14.589 -11.677 5.857 1.00 53.04 N ATOM 1613 CA LEU A 105 13.715 -12.869 5.872 1.00 61.13 C ATOM 1614 C LEU A 105 13.914 -13.764 4.617 1.00 65.33 C ATOM 1615 O LEU A 105 13.465 -14.915 4.603 1.00 22.12 O ATOM 1616 CB LEU A 105 12.222 -12.436 6.002 1.00 24.51 C ATOM 1617 CG LEU A 105 11.767 -11.836 7.383 1.00 12.20 C ATOM 1618 CD1 LEU A 105 11.985 -12.844 8.538 1.00 73.54 C ATOM 1619 CD2 LEU A 105 12.427 -10.466 7.695 1.00 32.14 C ATOM 0 H LEU A 105 14.078 -10.805 5.721 1.00 53.04 H new ATOM 0 HA LEU A 105 13.995 -13.468 6.738 1.00 61.13 H new ATOM 0 HB2 LEU A 105 12.016 -11.697 5.228 1.00 24.51 H new ATOM 0 HB3 LEU A 105 11.598 -13.304 5.788 1.00 24.51 H new ATOM 0 HG LEU A 105 10.697 -11.648 7.297 1.00 12.20 H new ATOM 0 HD11 LEU A 105 11.660 -12.397 9.477 1.00 73.54 H new ATOM 0 HD12 LEU A 105 11.406 -13.747 8.347 1.00 73.54 H new ATOM 0 HD13 LEU A 105 13.043 -13.098 8.604 1.00 73.54 H new ATOM 0 HD21 LEU A 105 12.074 -10.103 8.660 1.00 32.14 H new ATOM 0 HD22 LEU A 105 13.510 -10.583 7.725 1.00 32.14 H new ATOM 0 HD23 LEU A 105 12.161 -9.749 6.919 1.00 32.14 H new ATOM 1631 N LYS A 106 14.609 -13.239 3.576 1.00 22.33 N ATOM 1632 CA LYS A 106 14.899 -14.002 2.330 1.00 11.21 C ATOM 1633 C LYS A 106 15.970 -15.108 2.549 1.00 62.41 C ATOM 1634 O LYS A 106 16.305 -15.840 1.611 1.00 52.33 O ATOM 1635 CB LYS A 106 15.339 -13.040 1.184 1.00 0.15 C ATOM 1636 CG LYS A 106 14.392 -11.849 0.858 1.00 50.10 C ATOM 1637 CD LYS A 106 12.943 -12.243 0.425 1.00 51.43 C ATOM 1638 CE LYS A 106 11.954 -12.403 1.602 1.00 44.13 C ATOM 1639 NZ LYS A 106 10.575 -12.727 1.153 1.00 33.42 N ATOM 0 H LYS A 106 14.980 -12.289 3.573 1.00 22.33 H new ATOM 0 HA LYS A 106 13.974 -14.500 2.041 1.00 11.21 H new ATOM 0 HB2 LYS A 106 16.318 -12.634 1.440 1.00 0.15 H new ATOM 0 HB3 LYS A 106 15.466 -13.630 0.276 1.00 0.15 H new ATOM 0 HG2 LYS A 106 14.328 -11.207 1.736 1.00 50.10 H new ATOM 0 HG3 LYS A 106 14.842 -11.256 0.062 1.00 50.10 H new ATOM 0 HD2 LYS A 106 12.560 -11.484 -0.257 1.00 51.43 H new ATOM 0 HD3 LYS A 106 12.984 -13.179 -0.131 1.00 51.43 H new ATOM 0 HE2 LYS A 106 12.310 -13.191 2.266 1.00 44.13 H new ATOM 0 HE3 LYS A 106 11.935 -11.481 2.183 1.00 44.13 H new ATOM 0 HZ1 LYS A 106 9.954 -12.823 1.981 1.00 33.42 H new ATOM 0 HZ2 LYS A 106 10.221 -11.964 0.541 1.00 33.42 H new ATOM 0 HZ3 LYS A 106 10.584 -13.621 0.621 1.00 33.42 H new ATOM 1653 N GLU A 107 16.513 -15.207 3.779 1.00 73.32 N ATOM 1654 CA GLU A 107 17.381 -16.334 4.204 1.00 4.32 C ATOM 1655 C GLU A 107 16.861 -16.999 5.511 1.00 25.22 C ATOM 1656 O GLU A 107 17.414 -18.005 5.952 1.00 50.13 O ATOM 1657 CB GLU A 107 18.850 -15.853 4.395 1.00 35.25 C ATOM 1658 CG GLU A 107 19.044 -14.782 5.495 1.00 31.11 C ATOM 1659 CD GLU A 107 20.520 -14.516 5.833 1.00 20.51 C ATOM 1660 OE1 GLU A 107 21.181 -13.738 5.113 1.00 15.40 O ATOM 1661 OE2 GLU A 107 21.036 -15.109 6.806 1.00 30.30 O ATOM 0 H GLU A 107 16.365 -14.510 4.509 1.00 73.32 H new ATOM 0 HA GLU A 107 17.353 -17.083 3.413 1.00 4.32 H new ATOM 0 HB2 GLU A 107 19.472 -16.716 4.634 1.00 35.25 H new ATOM 0 HB3 GLU A 107 19.212 -15.451 3.449 1.00 35.25 H new ATOM 0 HG2 GLU A 107 18.579 -13.851 5.171 1.00 31.11 H new ATOM 0 HG3 GLU A 107 18.524 -15.101 6.398 1.00 31.11 H new ATOM 1668 N ILE A 108 15.785 -16.437 6.114 1.00 73.15 N ATOM 1669 CA ILE A 108 15.249 -16.894 7.429 1.00 61.14 C ATOM 1670 C ILE A 108 13.968 -17.770 7.252 1.00 24.34 C ATOM 1671 O ILE A 108 12.853 -17.254 7.101 1.00 23.32 O ATOM 1672 CB ILE A 108 14.952 -15.652 8.373 1.00 24.34 C ATOM 1673 CG1 ILE A 108 16.251 -14.808 8.621 1.00 2.22 C ATOM 1674 CG2 ILE A 108 14.314 -16.079 9.721 1.00 14.03 C ATOM 1675 CD1 ILE A 108 17.388 -15.553 9.319 1.00 21.13 C ATOM 0 H ILE A 108 15.264 -15.659 5.709 1.00 73.15 H new ATOM 0 HA ILE A 108 16.011 -17.515 7.900 1.00 61.14 H new ATOM 0 HB ILE A 108 14.226 -15.027 7.853 1.00 24.34 H new ATOM 0 HG12 ILE A 108 16.614 -14.440 7.662 1.00 2.22 H new ATOM 0 HG13 ILE A 108 15.989 -13.935 9.219 1.00 2.22 H new ATOM 0 HG21 ILE A 108 14.129 -15.196 10.332 1.00 14.03 H new ATOM 0 HG22 ILE A 108 13.371 -16.592 9.531 1.00 14.03 H new ATOM 0 HG23 ILE A 108 14.992 -16.750 10.248 1.00 14.03 H new ATOM 0 HD11 ILE A 108 18.239 -14.884 9.444 1.00 21.13 H new ATOM 0 HD12 ILE A 108 17.051 -15.898 10.297 1.00 21.13 H new ATOM 0 HD13 ILE A 108 17.686 -16.410 8.715 1.00 21.13 H new ATOM 1687 N ARG A 109 14.161 -19.106 7.210 1.00 1.33 N ATOM 1688 CA ARG A 109 13.063 -20.119 7.283 1.00 23.05 C ATOM 1689 C ARG A 109 13.266 -21.021 8.522 1.00 14.11 C ATOM 1690 O ARG A 109 12.331 -21.245 9.299 1.00 25.33 O ATOM 1691 CB ARG A 109 12.983 -21.008 5.992 1.00 24.52 C ATOM 1692 CG ARG A 109 12.365 -20.339 4.732 1.00 64.14 C ATOM 1693 CD ARG A 109 13.260 -19.265 4.102 1.00 11.34 C ATOM 1694 NE ARG A 109 12.653 -18.681 2.896 1.00 23.03 N ATOM 1695 CZ ARG A 109 13.310 -18.091 1.928 1.00 0.12 C ATOM 1696 NH1 ARG A 109 14.600 -18.031 1.931 1.00 13.03 N ATOM 1697 NH2 ARG A 109 12.668 -17.587 0.935 1.00 65.35 N ATOM 0 H ARG A 109 15.087 -19.524 7.124 1.00 1.33 H new ATOM 0 HA ARG A 109 12.123 -19.573 7.364 1.00 23.05 H new ATOM 0 HB2 ARG A 109 13.991 -21.341 5.743 1.00 24.52 H new ATOM 0 HB3 ARG A 109 12.401 -21.900 6.226 1.00 24.52 H new ATOM 0 HG2 ARG A 109 12.157 -21.108 3.988 1.00 64.14 H new ATOM 0 HG3 ARG A 109 11.409 -19.890 5.002 1.00 64.14 H new ATOM 0 HD2 ARG A 109 13.449 -18.477 4.831 1.00 11.34 H new ATOM 0 HD3 ARG A 109 14.226 -19.701 3.847 1.00 11.34 H new ATOM 0 HE ARG A 109 11.639 -18.740 2.806 1.00 23.03 H new ATOM 0 HH11 ARG A 109 15.128 -18.448 2.698 1.00 13.03 H new ATOM 0 HH12 ARG A 109 15.091 -17.567 1.167 1.00 13.03 H new ATOM 0 HH21 ARG A 109 11.650 -17.647 0.902 1.00 65.35 H new ATOM 0 HH22 ARG A 109 13.176 -17.127 0.180 1.00 65.35 H new ATOM 1711 N LYS A 110 14.500 -21.554 8.666 1.00 61.32 N ATOM 1712 CA LYS A 110 14.908 -22.389 9.826 1.00 5.43 C ATOM 1713 C LYS A 110 14.748 -21.611 11.158 1.00 24.54 C ATOM 1714 O LYS A 110 14.249 -22.153 12.151 1.00 0.44 O ATOM 1715 CB LYS A 110 16.381 -22.852 9.645 1.00 62.22 C ATOM 1716 CG LYS A 110 16.900 -23.861 10.701 1.00 64.54 C ATOM 1717 CD LYS A 110 16.149 -25.211 10.647 1.00 12.12 C ATOM 1718 CE LYS A 110 16.675 -26.233 11.674 1.00 71.52 C ATOM 1719 NZ LYS A 110 15.983 -27.545 11.559 1.00 70.12 N ATOM 0 H LYS A 110 15.245 -21.419 7.982 1.00 61.32 H new ATOM 0 HA LYS A 110 14.258 -23.263 9.869 1.00 5.43 H new ATOM 0 HB2 LYS A 110 16.483 -23.302 8.658 1.00 62.22 H new ATOM 0 HB3 LYS A 110 17.024 -21.972 9.662 1.00 62.22 H new ATOM 0 HG2 LYS A 110 17.964 -24.034 10.542 1.00 64.54 H new ATOM 0 HG3 LYS A 110 16.793 -23.429 11.696 1.00 64.54 H new ATOM 0 HD2 LYS A 110 15.088 -25.038 10.826 1.00 12.12 H new ATOM 0 HD3 LYS A 110 16.239 -25.631 9.645 1.00 12.12 H new ATOM 0 HE2 LYS A 110 17.746 -26.374 11.529 1.00 71.52 H new ATOM 0 HE3 LYS A 110 16.539 -25.838 12.681 1.00 71.52 H new ATOM 0 HZ1 LYS A 110 16.366 -28.203 12.267 1.00 70.12 H new ATOM 0 HZ2 LYS A 110 14.964 -27.416 11.722 1.00 70.12 H new ATOM 0 HZ3 LYS A 110 16.134 -27.935 10.607 1.00 70.12 H new ATOM 1733 N ALA A 111 15.189 -20.337 11.155 1.00 50.24 N ATOM 1734 CA ALA A 111 14.966 -19.402 12.280 1.00 12.24 C ATOM 1735 C ALA A 111 13.583 -18.717 12.171 1.00 23.41 C ATOM 1736 O ALA A 111 12.890 -18.833 11.153 1.00 74.20 O ATOM 1737 CB ALA A 111 16.079 -18.339 12.326 1.00 2.04 C ATOM 0 H ALA A 111 15.707 -19.927 10.378 1.00 50.24 H new ATOM 0 HA ALA A 111 14.989 -19.980 13.204 1.00 12.24 H new ATOM 0 HB1 ALA A 111 15.899 -17.660 13.159 1.00 2.04 H new ATOM 0 HB2 ALA A 111 17.044 -18.828 12.458 1.00 2.04 H new ATOM 0 HB3 ALA A 111 16.083 -17.776 11.393 1.00 2.04 H new ATOM 1743 N MET A 112 13.213 -17.987 13.231 1.00 74.41 N ATOM 1744 CA MET A 112 11.969 -17.191 13.295 1.00 25.35 C ATOM 1745 C MET A 112 12.135 -16.033 14.308 1.00 43.34 C ATOM 1746 O MET A 112 13.249 -15.774 14.786 1.00 25.04 O ATOM 1747 CB MET A 112 10.759 -18.102 13.679 1.00 51.20 C ATOM 1748 CG MET A 112 10.872 -18.801 15.047 1.00 50.32 C ATOM 1749 SD MET A 112 9.381 -19.734 15.482 1.00 60.23 S ATOM 1750 CE MET A 112 8.148 -18.432 15.609 1.00 3.34 C ATOM 0 H MET A 112 13.773 -17.928 14.082 1.00 74.41 H new ATOM 0 HA MET A 112 11.769 -16.763 12.313 1.00 25.35 H new ATOM 0 HB2 MET A 112 9.853 -17.497 13.672 1.00 51.20 H new ATOM 0 HB3 MET A 112 10.639 -18.864 12.909 1.00 51.20 H new ATOM 0 HG2 MET A 112 11.728 -19.476 15.036 1.00 50.32 H new ATOM 0 HG3 MET A 112 11.066 -18.054 15.817 1.00 50.32 H new ATOM 0 HE1 MET A 112 7.303 -18.788 16.198 1.00 3.34 H new ATOM 0 HE2 MET A 112 8.588 -17.561 16.094 1.00 3.34 H new ATOM 0 HE3 MET A 112 7.805 -18.157 14.612 1.00 3.34 H new ATOM 1760 N THR A 113 11.016 -15.332 14.590 1.00 72.14 N ATOM 1761 CA THR A 113 10.927 -14.272 15.638 1.00 1.55 C ATOM 1762 C THR A 113 11.414 -14.792 17.029 1.00 10.11 C ATOM 1763 O THR A 113 10.749 -15.684 17.606 1.00 36.59 O ATOM 1764 CB THR A 113 9.457 -13.724 15.778 1.00 64.31 C ATOM 1765 OG1 THR A 113 8.982 -13.271 14.500 1.00 25.31 O ATOM 1766 CG2 THR A 113 9.345 -12.565 16.803 1.00 25.24 C ATOM 1767 OXT THR A 113 12.459 -14.317 17.528 1.00 36.59 O ATOM 0 H THR A 113 10.136 -15.481 14.096 1.00 72.14 H new ATOM 0 HA THR A 113 11.582 -13.463 15.315 1.00 1.55 H new ATOM 0 HB THR A 113 8.845 -14.548 16.144 1.00 64.31 H new ATOM 0 HG1 THR A 113 8.067 -12.933 14.592 1.00 25.31 H new ATOM 0 HG21 THR A 113 8.310 -12.227 16.858 1.00 25.24 H new ATOM 0 HG22 THR A 113 9.665 -12.915 17.784 1.00 25.24 H new ATOM 0 HG23 THR A 113 9.981 -11.738 16.488 1.00 25.24 H new TER 1775 THR A 113