USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -15:sc= 0.164! USER MOD Set 1.2: A 125 THR OG1 : rot 63:sc= 0.293 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= -0.39 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -8.29! C(o=-8.7!,f=-7.8!) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -5.32 K(o=-5.3,f=-6.5) USER MOD Set 3.2: A 90 SER OG : rot 146:sc= 0.581 USER MOD Set 3.3: A 94 THR OG1 : rot 180:sc= -0.592 USER MOD Set 4.1: A 77 HIS : no HD1:sc= -14.1! C(o=-17!,f=-12!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -3.27! C(o=-17!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.943 (180deg=-0.982) USER MOD Single : A 6 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.15) USER MOD Single : A 7 SER OG : rot 38:sc= 0.251 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -53:sc= -0.832 USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.423 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.71! K(o=-3.7!,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -2.19! (180deg=-2.9!) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= 0.176 (180deg=-0.916) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.4) USER MOD Single : A 58 CYS SG : rot 137:sc= -2.64 USER MOD Single : A 61 THR OG1 : rot 43:sc= 0.0209 USER MOD Single : A 64 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-3.6!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -12:sc= -9.16! USER MOD Single : A 68 SER OG : rot 180:sc= -0.395 USER MOD Single : A 76 TYR OH : rot -15:sc= -1.91 USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= -0.523! (180deg=-4.94!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.55! C(o=-4.5!,f=-2.9!) USER MOD Single : A 98 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.52) USER MOD Single : A 104 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-2.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.03 X(o=-2,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.094) USER MOD Single : A 113 SER OG : rot 89:sc= -4.86! USER MOD Single : A 116 SER OG : rot 42:sc= 0.424! USER MOD Single : A 120 SER OG : rot -160:sc= -0.148 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 124 TYR OH : rot 30:sc= -0.81 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -0.586 K(o=-0.59,f=-3.9!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.258 -18.392 -14.667 1.00 74.34 N ATOM 2 CA MET A 1 5.525 -17.152 -13.960 1.00 0.25 C ATOM 3 C MET A 1 6.484 -17.383 -12.790 1.00 64.53 C ATOM 4 O MET A 1 6.608 -16.537 -11.907 1.00 0.50 O ATOM 5 CB MET A 1 4.211 -16.570 -13.434 1.00 60.04 C ATOM 6 CG MET A 1 3.322 -16.097 -14.586 1.00 73.22 C ATOM 7 SD MET A 1 1.639 -15.912 -14.022 1.00 14.14 S ATOM 8 CE MET A 1 0.890 -17.329 -14.808 1.00 1.12 C ATOM 0 H1 MET A 1 4.579 -18.215 -15.435 1.00 74.34 H new ATOM 0 H2 MET A 1 6.144 -18.761 -15.067 1.00 74.34 H new ATOM 0 H3 MET A 1 4.859 -19.089 -14.006 1.00 74.34 H new ATOM 0 HA MET A 1 5.990 -16.453 -14.655 1.00 0.25 H new ATOM 0 HB2 MET A 1 3.684 -17.323 -12.848 1.00 60.04 H new ATOM 0 HB3 MET A 1 4.421 -15.735 -12.765 1.00 60.04 H new ATOM 0 HG2 MET A 1 3.690 -15.148 -14.974 1.00 73.22 H new ATOM 0 HG3 MET A 1 3.363 -16.814 -15.406 1.00 73.22 H new ATOM 0 HE1 MET A 1 -0.170 -17.365 -14.558 1.00 1.12 H new ATOM 0 HE2 MET A 1 1.006 -17.249 -15.889 1.00 1.12 H new ATOM 0 HE3 MET A 1 1.377 -18.239 -14.457 1.00 1.12 H new ATOM 18 N ALA A 2 7.139 -18.535 -12.823 1.00 32.02 N ATOM 19 CA ALA A 2 8.083 -18.889 -11.777 1.00 2.23 C ATOM 20 C ALA A 2 9.137 -17.787 -11.653 1.00 42.41 C ATOM 21 O ALA A 2 10.058 -17.709 -12.465 1.00 71.30 O ATOM 22 CB ALA A 2 8.701 -20.254 -12.087 1.00 12.14 C ATOM 0 H ALA A 2 7.034 -19.235 -13.558 1.00 32.02 H new ATOM 0 HA ALA A 2 7.577 -18.971 -10.815 1.00 2.23 H new ATOM 0 HB1 ALA A 2 9.409 -20.519 -11.302 1.00 12.14 H new ATOM 0 HB2 ALA A 2 7.914 -21.007 -12.136 1.00 12.14 H new ATOM 0 HB3 ALA A 2 9.220 -20.209 -13.044 1.00 12.14 H new ATOM 28 N ALA A 3 8.967 -16.961 -10.631 1.00 30.33 N ATOM 29 CA ALA A 3 9.892 -15.867 -10.390 1.00 41.12 C ATOM 30 C ALA A 3 10.399 -15.941 -8.948 1.00 52.35 C ATOM 31 O ALA A 3 9.606 -16.014 -8.011 1.00 11.50 O ATOM 32 CB ALA A 3 9.201 -14.537 -10.698 1.00 71.10 C ATOM 0 H ALA A 3 8.202 -17.028 -9.960 1.00 30.33 H new ATOM 0 HA ALA A 3 10.758 -15.945 -11.048 1.00 41.12 H new ATOM 0 HB1 ALA A 3 9.895 -13.716 -10.517 1.00 71.10 H new ATOM 0 HB2 ALA A 3 8.887 -14.523 -11.742 1.00 71.10 H new ATOM 0 HB3 ALA A 3 8.328 -14.423 -10.055 1.00 71.10 H new ATOM 38 N ALA A 4 11.717 -15.919 -8.817 1.00 30.25 N ATOM 39 CA ALA A 4 12.339 -15.983 -7.505 1.00 11.32 C ATOM 40 C ALA A 4 13.437 -14.921 -7.414 1.00 62.30 C ATOM 41 O ALA A 4 14.515 -15.182 -6.882 1.00 31.13 O ATOM 42 CB ALA A 4 12.872 -17.396 -7.260 1.00 41.24 C ATOM 0 H ALA A 4 12.371 -15.858 -9.597 1.00 30.25 H new ATOM 0 HA ALA A 4 11.609 -15.771 -6.724 1.00 11.32 H new ATOM 0 HB1 ALA A 4 13.338 -17.443 -6.276 1.00 41.24 H new ATOM 0 HB2 ALA A 4 12.048 -18.109 -7.306 1.00 41.24 H new ATOM 0 HB3 ALA A 4 13.609 -17.644 -8.023 1.00 41.24 H new ATOM 48 N VAL A 5 13.126 -13.747 -7.942 1.00 13.31 N ATOM 49 CA VAL A 5 14.073 -12.645 -7.927 1.00 53.21 C ATOM 50 C VAL A 5 13.388 -11.397 -7.364 1.00 64.44 C ATOM 51 O VAL A 5 13.739 -10.927 -6.283 1.00 72.31 O ATOM 52 CB VAL A 5 14.648 -12.430 -9.329 1.00 31.34 C ATOM 53 CG1 VAL A 5 15.945 -11.621 -9.271 1.00 11.11 C ATOM 54 CG2 VAL A 5 14.866 -13.766 -10.042 1.00 22.00 C ATOM 0 H VAL A 5 12.231 -13.534 -8.383 1.00 13.31 H new ATOM 0 HA VAL A 5 14.916 -12.875 -7.276 1.00 53.21 H new ATOM 0 HB VAL A 5 13.922 -11.857 -9.906 1.00 31.34 H new ATOM 0 HG11 VAL A 5 16.333 -11.482 -10.280 1.00 11.11 H new ATOM 0 HG12 VAL A 5 15.747 -10.648 -8.822 1.00 11.11 H new ATOM 0 HG13 VAL A 5 16.681 -12.155 -8.670 1.00 11.11 H new ATOM 0 HG21 VAL A 5 15.275 -13.585 -11.036 1.00 22.00 H new ATOM 0 HG22 VAL A 5 15.564 -14.375 -9.468 1.00 22.00 H new ATOM 0 HG23 VAL A 5 13.915 -14.290 -10.131 1.00 22.00 H new ATOM 64 N ASN A 6 12.425 -10.897 -8.123 1.00 54.04 N ATOM 65 CA ASN A 6 11.688 -9.713 -7.714 1.00 20.30 C ATOM 66 C ASN A 6 10.214 -9.881 -8.087 1.00 33.02 C ATOM 67 O ASN A 6 9.884 -10.077 -9.255 1.00 73.43 O ATOM 68 CB ASN A 6 12.216 -8.464 -8.422 1.00 55.02 C ATOM 69 CG ASN A 6 13.690 -8.226 -8.090 1.00 31.55 C ATOM 70 OD1 ASN A 6 14.531 -8.064 -8.958 1.00 71.55 O ATOM 71 ND2 ASN A 6 13.955 -8.215 -6.786 1.00 44.14 N ATOM 0 H ASN A 6 12.137 -11.290 -9.019 1.00 54.04 H new ATOM 0 HA ASN A 6 11.809 -9.595 -6.637 1.00 20.30 H new ATOM 0 HB2 ASN A 6 12.096 -8.575 -9.500 1.00 55.02 H new ATOM 0 HB3 ASN A 6 11.628 -7.596 -8.123 1.00 55.02 H new ATOM 0 HD21 ASN A 6 14.910 -8.064 -6.461 1.00 44.14 H new ATOM 0 HD22 ASN A 6 13.203 -8.357 -6.112 1.00 44.14 H new ATOM 78 N SER A 7 9.366 -9.797 -7.072 1.00 24.53 N ATOM 79 CA SER A 7 7.935 -9.938 -7.278 1.00 51.41 C ATOM 80 C SER A 7 7.462 -8.954 -8.351 1.00 23.41 C ATOM 81 O SER A 7 7.556 -7.741 -8.171 1.00 31.31 O ATOM 82 CB SER A 7 7.166 -9.711 -5.975 1.00 72.40 C ATOM 83 OG SER A 7 7.472 -8.450 -5.386 1.00 64.41 O ATOM 0 H SER A 7 9.643 -9.633 -6.104 1.00 24.53 H new ATOM 0 HA SER A 7 7.736 -10.956 -7.613 1.00 51.41 H new ATOM 0 HB2 SER A 7 6.095 -9.769 -6.171 1.00 72.40 H new ATOM 0 HB3 SER A 7 7.404 -10.508 -5.270 1.00 72.40 H new ATOM 0 HG SER A 7 7.575 -7.776 -6.090 1.00 64.41 H new ATOM 89 N GLY A 8 6.965 -9.515 -9.444 1.00 14.34 N ATOM 90 CA GLY A 8 6.477 -8.703 -10.545 1.00 41.45 C ATOM 91 C GLY A 8 6.802 -9.353 -11.892 1.00 4.13 C ATOM 92 O GLY A 8 7.970 -9.547 -12.225 1.00 63.22 O ATOM 0 H GLY A 8 6.890 -10.522 -9.590 1.00 14.34 H new ATOM 0 HA2 GLY A 8 5.399 -8.569 -10.453 1.00 41.45 H new ATOM 0 HA3 GLY A 8 6.927 -7.711 -10.498 1.00 41.45 H new ATOM 96 N SER A 9 5.749 -9.671 -12.629 1.00 35.32 N ATOM 97 CA SER A 9 5.907 -10.296 -13.931 1.00 43.33 C ATOM 98 C SER A 9 5.423 -9.347 -15.029 1.00 55.31 C ATOM 99 O SER A 9 4.625 -9.734 -15.881 1.00 55.34 O ATOM 100 CB SER A 9 5.148 -11.622 -14.003 1.00 13.14 C ATOM 101 OG SER A 9 3.781 -11.475 -13.628 1.00 54.21 O ATOM 0 H SER A 9 4.782 -9.507 -12.349 1.00 35.32 H new ATOM 0 HA SER A 9 6.966 -10.507 -14.082 1.00 43.33 H new ATOM 0 HB2 SER A 9 5.205 -12.018 -15.017 1.00 13.14 H new ATOM 0 HB3 SER A 9 5.627 -12.350 -13.349 1.00 13.14 H new ATOM 0 HG SER A 9 3.330 -12.343 -13.689 1.00 54.21 H new ATOM 107 N SER A 10 5.925 -8.122 -14.973 1.00 22.13 N ATOM 108 CA SER A 10 5.553 -7.115 -15.952 1.00 4.34 C ATOM 109 C SER A 10 6.730 -6.168 -16.201 1.00 75.53 C ATOM 110 O SER A 10 7.821 -6.377 -15.674 1.00 41.31 O ATOM 111 CB SER A 10 4.326 -6.326 -15.491 1.00 40.11 C ATOM 112 OG SER A 10 3.157 -7.139 -15.442 1.00 55.31 O ATOM 0 H SER A 10 6.586 -7.804 -14.265 1.00 22.13 H new ATOM 0 HA SER A 10 5.298 -7.621 -16.883 1.00 4.34 H new ATOM 0 HB2 SER A 10 4.516 -5.904 -14.504 1.00 40.11 H new ATOM 0 HB3 SER A 10 4.157 -5.489 -16.169 1.00 40.11 H new ATOM 0 HG SER A 10 2.396 -6.600 -15.142 1.00 55.31 H new ATOM 118 N LEU A 11 6.467 -5.149 -17.005 1.00 52.15 N ATOM 119 CA LEU A 11 7.490 -4.170 -17.331 1.00 51.15 C ATOM 120 C LEU A 11 8.205 -3.739 -16.049 1.00 74.21 C ATOM 121 O LEU A 11 7.651 -3.855 -14.957 1.00 23.52 O ATOM 122 CB LEU A 11 6.886 -3.006 -18.120 1.00 11.14 C ATOM 123 CG LEU A 11 6.415 -1.808 -17.292 1.00 31.30 C ATOM 124 CD1 LEU A 11 5.880 -2.259 -15.931 1.00 42.32 C ATOM 125 CD2 LEU A 11 7.526 -0.766 -17.155 1.00 1.44 C ATOM 0 H LEU A 11 5.560 -4.980 -17.441 1.00 52.15 H new ATOM 0 HA LEU A 11 8.244 -4.610 -17.984 1.00 51.15 H new ATOM 0 HB2 LEU A 11 7.627 -2.657 -18.839 1.00 11.14 H new ATOM 0 HB3 LEU A 11 6.039 -3.382 -18.693 1.00 11.14 H new ATOM 0 HG LEU A 11 5.590 -1.330 -17.820 1.00 31.30 H new ATOM 0 HD11 LEU A 11 5.552 -1.389 -15.362 1.00 42.32 H new ATOM 0 HD12 LEU A 11 5.038 -2.936 -16.077 1.00 42.32 H new ATOM 0 HD13 LEU A 11 6.669 -2.774 -15.383 1.00 42.32 H new ATOM 0 HD21 LEU A 11 7.165 0.075 -16.562 1.00 1.44 H new ATOM 0 HD22 LEU A 11 8.387 -1.215 -16.661 1.00 1.44 H new ATOM 0 HD23 LEU A 11 7.818 -0.414 -18.144 1.00 1.44 H new ATOM 137 N PRO A 12 9.456 -3.238 -16.229 1.00 52.42 N ATOM 138 CA PRO A 12 10.252 -2.789 -15.100 1.00 10.24 C ATOM 139 C PRO A 12 9.750 -1.442 -14.575 1.00 51.15 C ATOM 140 O PRO A 12 8.612 -1.055 -14.838 1.00 3.32 O ATOM 141 CB PRO A 12 11.678 -2.729 -15.622 1.00 51.34 C ATOM 142 CG PRO A 12 11.565 -2.696 -17.138 1.00 1.41 C ATOM 143 CD PRO A 12 10.143 -3.085 -17.508 1.00 42.11 C ATOM 0 HA PRO A 12 10.183 -3.461 -14.244 1.00 10.24 H new ATOM 0 HB2 PRO A 12 12.194 -1.844 -15.249 1.00 51.34 H new ATOM 0 HB3 PRO A 12 12.252 -3.595 -15.292 1.00 51.34 H new ATOM 0 HG2 PRO A 12 11.799 -1.701 -17.517 1.00 1.41 H new ATOM 0 HG3 PRO A 12 12.279 -3.385 -17.589 1.00 1.41 H new ATOM 0 HD2 PRO A 12 9.670 -2.319 -18.122 1.00 42.11 H new ATOM 0 HD3 PRO A 12 10.122 -4.011 -18.082 1.00 42.11 H new ATOM 151 N LEU A 13 10.623 -0.765 -13.844 1.00 42.13 N ATOM 152 CA LEU A 13 10.283 0.531 -13.281 1.00 72.42 C ATOM 153 C LEU A 13 11.094 1.618 -13.988 1.00 4.21 C ATOM 154 O LEU A 13 10.671 2.771 -14.052 1.00 13.11 O ATOM 155 CB LEU A 13 10.463 0.518 -11.762 1.00 12.41 C ATOM 156 CG LEU A 13 11.546 -0.418 -11.222 1.00 41.23 C ATOM 157 CD1 LEU A 13 11.162 -1.883 -11.438 1.00 51.23 C ATOM 158 CD2 LEU A 13 12.910 -0.087 -11.832 1.00 11.14 C ATOM 0 H LEU A 13 11.566 -1.090 -13.628 1.00 42.13 H new ATOM 0 HA LEU A 13 9.231 0.757 -13.452 1.00 72.42 H new ATOM 0 HB2 LEU A 13 10.691 1.532 -11.435 1.00 12.41 H new ATOM 0 HB3 LEU A 13 9.512 0.242 -11.306 1.00 12.41 H new ATOM 0 HG LEU A 13 11.627 -0.262 -10.146 1.00 41.23 H new ATOM 0 HD11 LEU A 13 11.949 -2.527 -11.045 1.00 51.23 H new ATOM 0 HD12 LEU A 13 10.227 -2.094 -10.919 1.00 51.23 H new ATOM 0 HD13 LEU A 13 11.036 -2.073 -12.504 1.00 51.23 H new ATOM 0 HD21 LEU A 13 13.662 -0.767 -11.432 1.00 11.14 H new ATOM 0 HD22 LEU A 13 12.861 -0.198 -12.915 1.00 11.14 H new ATOM 0 HD23 LEU A 13 13.180 0.940 -11.584 1.00 11.14 H new ATOM 170 N PHE A 14 12.247 1.213 -14.501 1.00 32.42 N ATOM 171 CA PHE A 14 13.122 2.138 -15.200 1.00 54.14 C ATOM 172 C PHE A 14 14.170 1.386 -16.023 1.00 54.35 C ATOM 173 O PHE A 14 14.343 0.179 -15.861 1.00 53.41 O ATOM 174 CB PHE A 14 13.832 2.975 -14.134 1.00 72.25 C ATOM 175 CG PHE A 14 15.112 3.653 -14.627 1.00 12.43 C ATOM 176 CD1 PHE A 14 15.053 4.891 -15.188 1.00 72.31 C ATOM 177 CD2 PHE A 14 16.308 3.019 -14.503 1.00 4.10 C ATOM 178 CE1 PHE A 14 16.241 5.520 -15.645 1.00 54.40 C ATOM 179 CE2 PHE A 14 17.496 3.649 -14.960 1.00 23.21 C ATOM 180 CZ PHE A 14 17.437 4.886 -15.521 1.00 43.23 C ATOM 0 H PHE A 14 12.595 0.256 -14.446 1.00 32.42 H new ATOM 0 HA PHE A 14 12.540 2.757 -15.882 1.00 54.14 H new ATOM 0 HB2 PHE A 14 13.145 3.739 -13.770 1.00 72.25 H new ATOM 0 HB3 PHE A 14 14.075 2.335 -13.286 1.00 72.25 H new ATOM 0 HD1 PHE A 14 14.103 5.395 -15.286 1.00 72.31 H new ATOM 0 HD2 PHE A 14 16.355 2.036 -14.057 1.00 4.10 H new ATOM 0 HE1 PHE A 14 16.194 6.502 -16.091 1.00 54.40 H new ATOM 0 HE2 PHE A 14 18.446 3.145 -14.862 1.00 23.21 H new ATOM 0 HZ PHE A 14 18.341 5.365 -15.868 1.00 43.23 H new ATOM 190 N ASP A 15 14.841 2.131 -16.889 1.00 64.02 N ATOM 191 CA ASP A 15 15.868 1.550 -17.738 1.00 33.10 C ATOM 192 C ASP A 15 17.111 2.441 -17.710 1.00 24.53 C ATOM 193 O ASP A 15 17.068 3.587 -18.153 1.00 44.02 O ATOM 194 CB ASP A 15 15.391 1.449 -19.188 1.00 41.43 C ATOM 195 CG ASP A 15 16.191 0.485 -20.067 1.00 11.15 C ATOM 196 OD1 ASP A 15 17.427 0.558 -20.134 1.00 10.33 O ATOM 197 OD2 ASP A 15 15.484 -0.382 -20.709 1.00 14.41 O ATOM 0 H ASP A 15 14.694 3.132 -17.021 1.00 64.02 H new ATOM 0 HA ASP A 15 16.092 0.552 -17.362 1.00 33.10 H new ATOM 0 HB2 ASP A 15 14.347 1.137 -19.190 1.00 41.43 H new ATOM 0 HB3 ASP A 15 15.428 2.442 -19.637 1.00 41.43 H new ATOM 203 N CYS A 16 18.190 1.879 -17.184 1.00 1.33 N ATOM 204 CA CYS A 16 19.444 2.608 -17.092 1.00 13.23 C ATOM 205 C CYS A 16 20.016 2.759 -18.502 1.00 41.45 C ATOM 206 O CYS A 16 20.008 1.810 -19.285 1.00 10.14 O ATOM 207 CB CYS A 16 20.430 1.920 -16.146 1.00 62.12 C ATOM 208 SG CYS A 16 22.099 2.642 -16.350 1.00 24.15 S ATOM 0 H CYS A 16 18.222 0.928 -16.817 1.00 1.33 H new ATOM 0 HA CYS A 16 19.264 3.595 -16.667 1.00 13.23 H new ATOM 0 HB2 CYS A 16 20.098 2.036 -15.114 1.00 62.12 H new ATOM 0 HB3 CYS A 16 20.460 0.850 -16.353 1.00 62.12 H new ATOM 0 HG CYS A 16 22.437 2.605 -17.605 1.00 24.15 H new ATOM 214 N PRO A 17 20.512 3.992 -18.792 1.00 64.04 N ATOM 215 CA PRO A 17 21.088 4.280 -20.095 1.00 73.33 C ATOM 216 C PRO A 17 22.476 3.650 -20.233 1.00 15.51 C ATOM 217 O PRO A 17 22.828 2.744 -19.480 1.00 34.03 O ATOM 218 CB PRO A 17 21.111 5.797 -20.189 1.00 22.43 C ATOM 219 CG PRO A 17 20.983 6.304 -18.762 1.00 4.14 C ATOM 220 CD PRO A 17 20.539 5.140 -17.891 1.00 52.20 C ATOM 0 HA PRO A 17 20.510 3.853 -20.914 1.00 73.33 H new ATOM 0 HB2 PRO A 17 22.037 6.146 -20.646 1.00 22.43 H new ATOM 0 HB3 PRO A 17 20.292 6.163 -20.808 1.00 22.43 H new ATOM 0 HG2 PRO A 17 21.935 6.701 -18.411 1.00 4.14 H new ATOM 0 HG3 PRO A 17 20.260 7.118 -18.710 1.00 4.14 H new ATOM 0 HD2 PRO A 17 21.230 4.978 -17.064 1.00 52.20 H new ATOM 0 HD3 PRO A 17 19.557 5.324 -17.455 1.00 52.20 H new ATOM 228 N THR A 18 23.226 4.157 -21.200 1.00 63.52 N ATOM 229 CA THR A 18 24.568 3.656 -21.446 1.00 71.52 C ATOM 230 C THR A 18 25.600 4.763 -21.225 1.00 14.25 C ATOM 231 O THR A 18 26.798 4.544 -21.398 1.00 14.34 O ATOM 232 CB THR A 18 24.601 3.067 -22.858 1.00 45.52 C ATOM 233 OG1 THR A 18 25.808 2.310 -22.890 1.00 73.50 O ATOM 234 CG2 THR A 18 24.805 4.137 -23.933 1.00 40.03 C ATOM 0 H THR A 18 22.930 4.909 -21.822 1.00 63.52 H new ATOM 0 HA THR A 18 24.830 2.866 -20.742 1.00 71.52 H new ATOM 0 HB THR A 18 23.671 2.531 -23.050 1.00 45.52 H new ATOM 0 HG1 THR A 18 26.513 2.798 -22.416 1.00 73.50 H new ATOM 0 HG21 THR A 18 24.821 3.667 -24.916 1.00 40.03 H new ATOM 0 HG22 THR A 18 23.988 4.858 -23.889 1.00 40.03 H new ATOM 0 HG23 THR A 18 25.751 4.650 -23.761 1.00 40.03 H new ATOM 242 N TRP A 19 25.097 5.929 -20.845 1.00 31.21 N ATOM 243 CA TRP A 19 25.960 7.071 -20.598 1.00 1.33 C ATOM 244 C TRP A 19 26.192 7.171 -19.089 1.00 22.23 C ATOM 245 O TRP A 19 26.939 8.032 -18.627 1.00 42.24 O ATOM 246 CB TRP A 19 25.365 8.347 -21.196 1.00 43.45 C ATOM 247 CG TRP A 19 23.836 8.379 -21.199 1.00 53.24 C ATOM 248 CD1 TRP A 19 23.000 7.812 -22.081 1.00 3.25 C ATOM 249 CD2 TRP A 19 22.988 9.038 -20.235 1.00 55.24 C ATOM 250 NE1 TRP A 19 21.681 8.057 -21.756 1.00 62.45 N ATOM 251 CE2 TRP A 19 21.673 8.826 -20.599 1.00 24.33 C ATOM 252 CE3 TRP A 19 23.320 9.789 -19.094 1.00 30.10 C ATOM 253 CZ2 TRP A 19 20.587 9.331 -19.875 1.00 34.53 C ATOM 254 CZ3 TRP A 19 22.222 10.287 -18.381 1.00 65.43 C ATOM 255 CH2 TRP A 19 20.894 10.082 -18.734 1.00 33.31 C ATOM 0 H TRP A 19 24.103 6.107 -20.702 1.00 31.21 H new ATOM 0 HA TRP A 19 26.923 6.940 -21.091 1.00 1.33 H new ATOM 0 HB2 TRP A 19 25.735 9.205 -20.635 1.00 43.45 H new ATOM 0 HB3 TRP A 19 25.722 8.457 -22.220 1.00 43.45 H new ATOM 0 HD1 TRP A 19 23.318 7.236 -22.937 1.00 3.25 H new ATOM 0 HE1 TRP A 19 20.862 7.733 -22.271 1.00 62.45 H new ATOM 0 HE3 TRP A 19 24.341 9.968 -18.791 1.00 30.10 H new ATOM 0 HZ2 TRP A 19 19.567 9.151 -20.180 1.00 34.53 H new ATOM 0 HZ3 TRP A 19 22.422 10.871 -17.495 1.00 65.43 H new ATOM 0 HH2 TRP A 19 20.102 10.500 -18.131 1.00 33.31 H new ATOM 266 N ALA A 20 25.538 6.277 -18.361 1.00 41.15 N ATOM 267 CA ALA A 20 25.664 6.253 -16.914 1.00 52.41 C ATOM 268 C ALA A 20 27.013 5.640 -16.534 1.00 33.44 C ATOM 269 O ALA A 20 27.441 4.654 -17.131 1.00 73.54 O ATOM 270 CB ALA A 20 24.484 5.488 -16.312 1.00 22.25 C ATOM 0 H ALA A 20 24.919 5.564 -18.747 1.00 41.15 H new ATOM 0 HA ALA A 20 25.637 7.265 -16.509 1.00 52.41 H new ATOM 0 HB1 ALA A 20 24.578 5.470 -15.226 1.00 22.25 H new ATOM 0 HB2 ALA A 20 23.552 5.982 -16.587 1.00 22.25 H new ATOM 0 HB3 ALA A 20 24.480 4.467 -16.693 1.00 22.25 H new ATOM 276 N GLY A 21 27.645 6.249 -15.541 1.00 70.53 N ATOM 277 CA GLY A 21 28.937 5.774 -15.074 1.00 15.30 C ATOM 278 C GLY A 21 28.920 5.538 -13.562 1.00 73.24 C ATOM 279 O GLY A 21 28.209 4.660 -13.076 1.00 21.42 O ATOM 0 H GLY A 21 27.287 7.067 -15.047 1.00 70.53 H new ATOM 0 HA2 GLY A 21 29.195 4.848 -15.587 1.00 15.30 H new ATOM 0 HA3 GLY A 21 29.708 6.503 -15.323 1.00 15.30 H new ATOM 283 N LYS A 22 29.711 6.337 -12.862 1.00 31.11 N ATOM 284 CA LYS A 22 29.796 6.226 -11.416 1.00 30.44 C ATOM 285 C LYS A 22 30.131 7.595 -10.822 1.00 14.42 C ATOM 286 O LYS A 22 31.197 8.147 -11.087 1.00 42.34 O ATOM 287 CB LYS A 22 30.783 5.126 -11.020 1.00 25.10 C ATOM 288 CG LYS A 22 31.380 5.396 -9.637 1.00 52.10 C ATOM 289 CD LYS A 22 32.749 6.070 -9.752 1.00 74.22 C ATOM 290 CE LYS A 22 33.873 5.032 -9.742 1.00 10.23 C ATOM 291 NZ LYS A 22 35.135 5.640 -9.264 1.00 51.30 N ATOM 0 H LYS A 22 30.299 7.064 -13.269 1.00 31.11 H new ATOM 0 HA LYS A 22 28.834 5.925 -11.000 1.00 30.44 H new ATOM 0 HB2 LYS A 22 30.276 4.161 -11.019 1.00 25.10 H new ATOM 0 HB3 LYS A 22 31.582 5.066 -11.759 1.00 25.10 H new ATOM 0 HG2 LYS A 22 30.705 6.031 -9.063 1.00 52.10 H new ATOM 0 HG3 LYS A 22 31.477 4.458 -9.090 1.00 52.10 H new ATOM 0 HD2 LYS A 22 32.795 6.653 -10.672 1.00 74.22 H new ATOM 0 HD3 LYS A 22 32.886 6.767 -8.926 1.00 74.22 H new ATOM 0 HE2 LYS A 22 33.598 4.196 -9.099 1.00 10.23 H new ATOM 0 HE3 LYS A 22 34.013 4.629 -10.745 1.00 10.23 H new ATOM 0 HZ1 LYS A 22 35.888 4.922 -9.263 1.00 51.30 H new ATOM 0 HZ2 LYS A 22 35.404 6.423 -9.894 1.00 51.30 H new ATOM 0 HZ3 LYS A 22 35.002 6.003 -8.298 1.00 51.30 H new ATOM 304 N PRO A 23 29.175 8.118 -10.008 1.00 14.11 N ATOM 305 CA PRO A 23 29.357 9.413 -9.374 1.00 63.23 C ATOM 306 C PRO A 23 30.346 9.319 -8.210 1.00 51.13 C ATOM 307 O PRO A 23 30.390 8.310 -7.508 1.00 41.04 O ATOM 308 CB PRO A 23 27.965 9.837 -8.938 1.00 15.30 C ATOM 309 CG PRO A 23 27.127 8.569 -8.924 1.00 62.34 C ATOM 310 CD PRO A 23 27.899 7.493 -9.671 1.00 21.24 C ATOM 0 HA PRO A 23 29.791 10.153 -10.046 1.00 63.23 H new ATOM 0 HB2 PRO A 23 27.989 10.300 -7.951 1.00 15.30 H new ATOM 0 HB3 PRO A 23 27.548 10.573 -9.625 1.00 15.30 H new ATOM 0 HG2 PRO A 23 26.927 8.254 -7.900 1.00 62.34 H new ATOM 0 HG3 PRO A 23 26.161 8.744 -9.397 1.00 62.34 H new ATOM 0 HD2 PRO A 23 28.043 6.607 -9.052 1.00 21.24 H new ATOM 0 HD3 PRO A 23 27.366 7.173 -10.566 1.00 21.24 H new ATOM 318 N PRO A 24 31.135 10.413 -8.037 1.00 41.10 N ATOM 319 CA PRO A 24 32.120 10.464 -6.970 1.00 62.22 C ATOM 320 C PRO A 24 31.449 10.690 -5.614 1.00 52.52 C ATOM 321 O PRO A 24 30.320 11.175 -5.549 1.00 70.35 O ATOM 322 CB PRO A 24 33.065 11.589 -7.361 1.00 22.55 C ATOM 323 CG PRO A 24 32.315 12.427 -8.383 1.00 64.00 C ATOM 324 CD PRO A 24 31.111 11.626 -8.849 1.00 55.11 C ATOM 0 HA PRO A 24 32.664 9.527 -6.854 1.00 62.22 H new ATOM 0 HB2 PRO A 24 33.341 12.187 -6.492 1.00 22.55 H new ATOM 0 HB3 PRO A 24 33.989 11.194 -7.783 1.00 22.55 H new ATOM 0 HG2 PRO A 24 31.997 13.372 -7.943 1.00 64.00 H new ATOM 0 HG3 PRO A 24 32.962 12.670 -9.226 1.00 64.00 H new ATOM 0 HD2 PRO A 24 30.185 12.182 -8.703 1.00 55.11 H new ATOM 0 HD3 PRO A 24 31.178 11.392 -9.912 1.00 55.11 H new ATOM 332 N PRO A 25 32.191 10.320 -4.536 1.00 51.04 N ATOM 333 CA PRO A 25 31.679 10.478 -3.186 1.00 5.04 C ATOM 334 C PRO A 25 31.719 11.945 -2.752 1.00 62.13 C ATOM 335 O PRO A 25 32.536 12.327 -1.915 1.00 73.23 O ATOM 336 CB PRO A 25 32.555 9.581 -2.326 1.00 71.20 C ATOM 337 CG PRO A 25 33.809 9.316 -3.143 1.00 21.30 C ATOM 338 CD PRO A 25 33.531 9.743 -4.575 1.00 5.11 C ATOM 0 HA PRO A 25 30.631 10.193 -3.098 1.00 5.04 H new ATOM 0 HB2 PRO A 25 32.800 10.065 -1.380 1.00 71.20 H new ATOM 0 HB3 PRO A 25 32.042 8.650 -2.084 1.00 71.20 H new ATOM 0 HG2 PRO A 25 34.654 9.871 -2.736 1.00 21.30 H new ATOM 0 HG3 PRO A 25 34.074 8.259 -3.104 1.00 21.30 H new ATOM 0 HD2 PRO A 25 34.265 10.470 -4.921 1.00 5.11 H new ATOM 0 HD3 PRO A 25 33.577 8.894 -5.257 1.00 5.11 H new ATOM 346 N GLY A 26 30.827 12.727 -3.342 1.00 12.15 N ATOM 347 CA GLY A 26 30.749 14.144 -3.027 1.00 24.52 C ATOM 348 C GLY A 26 29.506 14.777 -3.654 1.00 1.51 C ATOM 349 O GLY A 26 29.516 15.957 -4.004 1.00 34.40 O ATOM 0 H GLY A 26 30.152 12.407 -4.036 1.00 12.15 H new ATOM 0 HA2 GLY A 26 30.724 14.279 -1.946 1.00 24.52 H new ATOM 0 HA3 GLY A 26 31.643 14.651 -3.391 1.00 24.52 H new ATOM 353 N LEU A 27 28.466 13.967 -3.777 1.00 34.43 N ATOM 354 CA LEU A 27 27.217 14.433 -4.356 1.00 2.45 C ATOM 355 C LEU A 27 26.059 14.064 -3.426 1.00 65.20 C ATOM 356 O LEU A 27 26.204 13.200 -2.562 1.00 12.41 O ATOM 357 CB LEU A 27 27.055 13.901 -5.781 1.00 4.21 C ATOM 358 CG LEU A 27 28.244 14.123 -6.719 1.00 10.15 C ATOM 359 CD1 LEU A 27 28.150 13.216 -7.947 1.00 54.52 C ATOM 360 CD2 LEU A 27 28.371 15.598 -7.103 1.00 51.52 C ATOM 0 H LEU A 27 28.462 12.990 -3.485 1.00 34.43 H new ATOM 0 HA LEU A 27 27.221 15.519 -4.445 1.00 2.45 H new ATOM 0 HB2 LEU A 27 26.855 12.831 -5.728 1.00 4.21 H new ATOM 0 HB3 LEU A 27 26.176 14.368 -6.224 1.00 4.21 H new ATOM 0 HG LEU A 27 29.155 13.850 -6.187 1.00 10.15 H new ATOM 0 HD11 LEU A 27 29.007 13.394 -8.597 1.00 54.52 H new ATOM 0 HD12 LEU A 27 28.145 12.173 -7.630 1.00 54.52 H new ATOM 0 HD13 LEU A 27 27.231 13.434 -8.491 1.00 54.52 H new ATOM 0 HD21 LEU A 27 29.223 15.728 -7.770 1.00 51.52 H new ATOM 0 HD22 LEU A 27 27.462 15.922 -7.609 1.00 51.52 H new ATOM 0 HD23 LEU A 27 28.519 16.197 -6.204 1.00 51.52 H new ATOM 372 N HIS A 28 24.937 14.736 -3.635 1.00 60.12 N ATOM 373 CA HIS A 28 23.755 14.489 -2.827 1.00 21.02 C ATOM 374 C HIS A 28 22.590 15.330 -3.351 1.00 53.04 C ATOM 375 O HIS A 28 22.791 16.443 -3.834 1.00 54.41 O ATOM 376 CB HIS A 28 24.048 14.739 -1.346 1.00 53.41 C ATOM 377 CG HIS A 28 24.212 16.198 -0.991 1.00 33.14 C ATOM 378 ND1 HIS A 28 25.280 16.961 -1.429 1.00 72.02 N ATOM 379 CD2 HIS A 28 23.432 17.024 -0.236 1.00 1.41 C ATOM 380 CE1 HIS A 28 25.140 18.189 -0.953 1.00 13.30 C ATOM 381 NE2 HIS A 28 23.994 18.227 -0.213 1.00 63.52 N ATOM 0 H HIS A 28 24.821 15.452 -4.352 1.00 60.12 H new ATOM 0 HA HIS A 28 23.466 13.441 -2.909 1.00 21.02 H new ATOM 0 HB2 HIS A 28 23.238 14.319 -0.750 1.00 53.41 H new ATOM 0 HB3 HIS A 28 24.957 14.204 -1.070 1.00 53.41 H new ATOM 0 HD2 HIS A 28 22.513 16.747 0.259 1.00 1.41 H new ATOM 0 HE1 HIS A 28 25.815 19.015 -1.121 1.00 13.30 H new ATOM 0 HE2 HIS A 28 23.629 19.044 0.277 1.00 63.52 H new ATOM 389 N LEU A 29 21.397 14.765 -3.239 1.00 15.01 N ATOM 390 CA LEU A 29 20.199 15.449 -3.696 1.00 34.21 C ATOM 391 C LEU A 29 19.646 16.314 -2.561 1.00 70.41 C ATOM 392 O LEU A 29 20.263 16.424 -1.503 1.00 21.32 O ATOM 393 CB LEU A 29 19.187 14.444 -4.252 1.00 4.21 C ATOM 394 CG LEU A 29 19.072 14.383 -5.776 1.00 72.14 C ATOM 395 CD1 LEU A 29 17.883 13.519 -6.202 1.00 20.13 C ATOM 396 CD2 LEU A 29 19.003 15.788 -6.378 1.00 4.00 C ATOM 0 H LEU A 29 21.234 13.841 -2.838 1.00 15.01 H new ATOM 0 HA LEU A 29 20.435 16.119 -4.522 1.00 34.21 H new ATOM 0 HB2 LEU A 29 19.452 13.452 -3.887 1.00 4.21 H new ATOM 0 HB3 LEU A 29 18.205 14.682 -3.842 1.00 4.21 H new ATOM 0 HG LEU A 29 19.972 13.909 -6.167 1.00 72.14 H new ATOM 0 HD11 LEU A 29 17.824 13.492 -7.290 1.00 20.13 H new ATOM 0 HD12 LEU A 29 18.014 12.506 -5.821 1.00 20.13 H new ATOM 0 HD13 LEU A 29 16.963 13.942 -5.799 1.00 20.13 H new ATOM 0 HD21 LEU A 29 18.922 15.716 -7.463 1.00 4.00 H new ATOM 0 HD22 LEU A 29 18.132 16.311 -5.983 1.00 4.00 H new ATOM 0 HD23 LEU A 29 19.906 16.340 -6.118 1.00 4.00 H new ATOM 408 N ASP A 30 18.489 16.905 -2.820 1.00 41.03 N ATOM 409 CA ASP A 30 17.846 17.757 -1.834 1.00 24.42 C ATOM 410 C ASP A 30 16.396 18.008 -2.251 1.00 70.00 C ATOM 411 O ASP A 30 16.003 17.682 -3.370 1.00 52.10 O ATOM 412 CB ASP A 30 18.551 19.111 -1.733 1.00 32.13 C ATOM 413 CG ASP A 30 20.079 19.045 -1.715 1.00 43.11 C ATOM 414 OD1 ASP A 30 20.714 18.671 -2.712 1.00 71.53 O ATOM 415 OD2 ASP A 30 20.628 19.403 -0.604 1.00 15.53 O ATOM 0 H ASP A 30 17.980 16.811 -3.699 1.00 41.03 H new ATOM 0 HA ASP A 30 17.895 17.252 -0.869 1.00 24.42 H new ATOM 0 HB2 ASP A 30 18.239 19.730 -2.574 1.00 32.13 H new ATOM 0 HB3 ASP A 30 18.213 19.613 -0.826 1.00 32.13 H new ATOM 421 N VAL A 31 15.640 18.585 -1.329 1.00 2.43 N ATOM 422 CA VAL A 31 14.242 18.884 -1.587 1.00 12.32 C ATOM 423 C VAL A 31 13.865 20.189 -0.882 1.00 42.10 C ATOM 424 O VAL A 31 14.349 20.469 0.214 1.00 71.03 O ATOM 425 CB VAL A 31 13.367 17.702 -1.164 1.00 3.34 C ATOM 426 CG1 VAL A 31 11.884 18.018 -1.366 1.00 71.42 C ATOM 427 CG2 VAL A 31 13.765 16.430 -1.914 1.00 70.31 C ATOM 0 H VAL A 31 15.969 18.854 -0.402 1.00 2.43 H new ATOM 0 HA VAL A 31 14.074 19.030 -2.654 1.00 12.32 H new ATOM 0 HB VAL A 31 13.530 17.528 -0.100 1.00 3.34 H new ATOM 0 HG11 VAL A 31 11.284 17.162 -1.058 1.00 71.42 H new ATOM 0 HG12 VAL A 31 11.612 18.886 -0.766 1.00 71.42 H new ATOM 0 HG13 VAL A 31 11.698 18.232 -2.418 1.00 71.42 H new ATOM 0 HG21 VAL A 31 13.128 15.605 -1.595 1.00 70.31 H new ATOM 0 HG22 VAL A 31 13.646 16.587 -2.986 1.00 70.31 H new ATOM 0 HG23 VAL A 31 14.806 16.190 -1.696 1.00 70.31 H new ATOM 437 N VAL A 32 13.005 20.953 -1.540 1.00 22.32 N ATOM 438 CA VAL A 32 12.558 22.221 -0.990 1.00 42.31 C ATOM 439 C VAL A 32 11.084 22.432 -1.340 1.00 14.34 C ATOM 440 O VAL A 32 10.666 22.172 -2.467 1.00 12.21 O ATOM 441 CB VAL A 32 13.459 23.354 -1.488 1.00 34.21 C ATOM 442 CG1 VAL A 32 13.494 24.507 -0.484 1.00 4.44 C ATOM 443 CG2 VAL A 32 14.869 22.842 -1.786 1.00 23.12 C ATOM 0 H VAL A 32 12.606 20.718 -2.449 1.00 22.32 H new ATOM 0 HA VAL A 32 12.637 22.215 0.097 1.00 42.31 H new ATOM 0 HB VAL A 32 13.038 23.734 -2.419 1.00 34.21 H new ATOM 0 HG11 VAL A 32 14.141 25.299 -0.862 1.00 4.44 H new ATOM 0 HG12 VAL A 32 12.486 24.898 -0.344 1.00 4.44 H new ATOM 0 HG13 VAL A 32 13.880 24.147 0.470 1.00 4.44 H new ATOM 0 HG21 VAL A 32 15.489 23.667 -2.138 1.00 23.12 H new ATOM 0 HG22 VAL A 32 15.304 22.423 -0.878 1.00 23.12 H new ATOM 0 HG23 VAL A 32 14.821 22.070 -2.554 1.00 23.12 H new ATOM 453 N LYS A 33 10.336 22.902 -0.352 1.00 32.11 N ATOM 454 CA LYS A 33 8.917 23.151 -0.541 1.00 33.22 C ATOM 455 C LYS A 33 8.727 24.510 -1.218 1.00 25.21 C ATOM 456 O LYS A 33 7.633 24.830 -1.680 1.00 3.35 O ATOM 457 CB LYS A 33 8.168 23.015 0.786 1.00 14.33 C ATOM 458 CG LYS A 33 8.596 24.105 1.771 1.00 14.23 C ATOM 459 CD LYS A 33 7.865 23.955 3.107 1.00 30.41 C ATOM 460 CE LYS A 33 6.567 24.765 3.117 1.00 62.35 C ATOM 461 NZ LYS A 33 6.802 26.113 3.680 1.00 31.13 N ATOM 0 H LYS A 33 10.686 23.117 0.582 1.00 32.11 H new ATOM 0 HA LYS A 33 8.484 22.402 -1.203 1.00 33.22 H new ATOM 0 HB2 LYS A 33 7.094 23.080 0.610 1.00 14.33 H new ATOM 0 HB3 LYS A 33 8.361 22.033 1.218 1.00 14.33 H new ATOM 0 HG2 LYS A 33 9.672 24.051 1.933 1.00 14.23 H new ATOM 0 HG3 LYS A 33 8.387 25.087 1.346 1.00 14.23 H new ATOM 0 HD2 LYS A 33 7.643 22.903 3.288 1.00 30.41 H new ATOM 0 HD3 LYS A 33 8.512 24.288 3.919 1.00 30.41 H new ATOM 0 HE2 LYS A 33 6.177 24.851 2.103 1.00 62.35 H new ATOM 0 HE3 LYS A 33 5.811 24.245 3.706 1.00 62.35 H new ATOM 0 HZ1 LYS A 33 5.911 26.650 3.680 1.00 31.13 H new ATOM 0 HZ2 LYS A 33 7.153 26.026 4.655 1.00 31.13 H new ATOM 0 HZ3 LYS A 33 7.507 26.613 3.102 1.00 31.13 H new ATOM 474 N GLY A 34 9.810 25.272 -1.256 1.00 4.24 N ATOM 475 CA GLY A 34 9.777 26.589 -1.868 1.00 44.25 C ATOM 476 C GLY A 34 11.044 27.380 -1.536 1.00 41.52 C ATOM 477 O GLY A 34 11.854 27.661 -2.418 1.00 64.11 O ATOM 0 H GLY A 34 10.716 25.002 -0.873 1.00 4.24 H new ATOM 0 HA2 GLY A 34 9.679 26.489 -2.949 1.00 44.25 H new ATOM 0 HA3 GLY A 34 8.901 27.135 -1.518 1.00 44.25 H new ATOM 481 N ASP A 35 11.175 27.718 -0.262 1.00 2.22 N ATOM 482 CA ASP A 35 12.330 28.472 0.198 1.00 75.41 C ATOM 483 C ASP A 35 12.846 27.860 1.501 1.00 25.53 C ATOM 484 O ASP A 35 13.571 28.511 2.253 1.00 71.45 O ATOM 485 CB ASP A 35 11.961 29.930 0.474 1.00 15.43 C ATOM 486 CG ASP A 35 11.181 30.166 1.770 1.00 44.02 C ATOM 487 OD1 ASP A 35 9.947 30.048 1.803 1.00 25.24 O ATOM 488 OD2 ASP A 35 11.903 30.488 2.789 1.00 2.22 O ATOM 0 H ASP A 35 10.501 27.484 0.467 1.00 2.22 H new ATOM 0 HA ASP A 35 13.090 28.434 -0.582 1.00 75.41 H new ATOM 0 HB2 ASP A 35 12.876 30.521 0.506 1.00 15.43 H new ATOM 0 HB3 ASP A 35 11.369 30.304 -0.362 1.00 15.43 H new ATOM 494 N LYS A 36 12.454 26.615 1.730 1.00 71.12 N ATOM 495 CA LYS A 36 12.869 25.908 2.929 1.00 34.35 C ATOM 496 C LYS A 36 13.208 24.460 2.571 1.00 64.32 C ATOM 497 O LYS A 36 12.374 23.740 2.024 1.00 23.43 O ATOM 498 CB LYS A 36 11.806 26.037 4.022 1.00 14.43 C ATOM 499 CG LYS A 36 11.847 24.838 4.972 1.00 14.51 C ATOM 500 CD LYS A 36 10.874 25.029 6.138 1.00 70.13 C ATOM 501 CE LYS A 36 10.299 23.687 6.596 1.00 14.54 C ATOM 502 NZ LYS A 36 11.149 23.092 7.651 1.00 1.33 N ATOM 0 H LYS A 36 11.853 26.078 1.105 1.00 71.12 H new ATOM 0 HA LYS A 36 13.774 26.356 3.341 1.00 34.35 H new ATOM 0 HB2 LYS A 36 11.967 26.957 4.584 1.00 14.43 H new ATOM 0 HB3 LYS A 36 10.818 26.111 3.567 1.00 14.43 H new ATOM 0 HG2 LYS A 36 11.593 23.929 4.427 1.00 14.51 H new ATOM 0 HG3 LYS A 36 12.859 24.708 5.356 1.00 14.51 H new ATOM 0 HD2 LYS A 36 11.387 25.512 6.970 1.00 70.13 H new ATOM 0 HD3 LYS A 36 10.063 25.692 5.835 1.00 70.13 H new ATOM 0 HE2 LYS A 36 9.286 23.828 6.973 1.00 14.54 H new ATOM 0 HE3 LYS A 36 10.231 23.005 5.748 1.00 14.54 H new ATOM 0 HZ1 LYS A 36 10.745 22.182 7.950 1.00 1.33 H new ATOM 0 HZ2 LYS A 36 12.108 22.939 7.279 1.00 1.33 H new ATOM 0 HZ3 LYS A 36 11.193 23.736 8.466 1.00 1.33 H new ATOM 515 N LEU A 37 14.435 24.076 2.893 1.00 10.10 N ATOM 516 CA LEU A 37 14.895 22.727 2.612 1.00 64.03 C ATOM 517 C LEU A 37 14.065 21.730 3.422 1.00 32.11 C ATOM 518 O LEU A 37 14.068 21.768 4.652 1.00 43.45 O ATOM 519 CB LEU A 37 16.402 22.613 2.855 1.00 53.34 C ATOM 520 CG LEU A 37 17.079 21.362 2.292 1.00 44.32 C ATOM 521 CD1 LEU A 37 16.423 20.092 2.835 1.00 21.24 C ATOM 522 CD2 LEU A 37 17.096 21.389 0.762 1.00 4.11 C ATOM 0 H LEU A 37 15.124 24.676 3.346 1.00 10.10 H new ATOM 0 HA LEU A 37 14.746 22.486 1.560 1.00 64.03 H new ATOM 0 HB2 LEU A 37 16.887 23.489 2.424 1.00 53.34 H new ATOM 0 HB3 LEU A 37 16.580 22.646 3.930 1.00 53.34 H new ATOM 0 HG LEU A 37 18.117 21.356 2.626 1.00 44.32 H new ATOM 0 HD11 LEU A 37 16.923 19.218 2.419 1.00 21.24 H new ATOM 0 HD12 LEU A 37 16.507 20.075 3.922 1.00 21.24 H new ATOM 0 HD13 LEU A 37 15.370 20.077 2.552 1.00 21.24 H new ATOM 0 HD21 LEU A 37 17.583 20.488 0.388 1.00 4.11 H new ATOM 0 HD22 LEU A 37 16.073 21.431 0.387 1.00 4.11 H new ATOM 0 HD23 LEU A 37 17.644 22.267 0.420 1.00 4.11 H new ATOM 534 N ILE A 38 13.373 20.860 2.700 1.00 0.44 N ATOM 535 CA ILE A 38 12.539 19.855 3.337 1.00 25.21 C ATOM 536 C ILE A 38 13.425 18.724 3.865 1.00 50.15 C ATOM 537 O ILE A 38 13.595 18.576 5.074 1.00 53.32 O ATOM 538 CB ILE A 38 11.444 19.382 2.379 1.00 0.32 C ATOM 539 CG1 ILE A 38 10.637 20.566 1.842 1.00 43.21 C ATOM 540 CG2 ILE A 38 10.550 18.334 3.044 1.00 73.44 C ATOM 541 CD1 ILE A 38 9.790 21.199 2.948 1.00 50.15 C ATOM 0 H ILE A 38 13.373 20.831 1.680 1.00 0.44 H new ATOM 0 HA ILE A 38 12.018 20.280 4.195 1.00 25.21 H new ATOM 0 HB ILE A 38 11.921 18.903 1.524 1.00 0.32 H new ATOM 0 HG12 ILE A 38 11.313 21.312 1.425 1.00 43.21 H new ATOM 0 HG13 ILE A 38 9.991 20.232 1.030 1.00 43.21 H new ATOM 0 HG21 ILE A 38 9.780 18.014 2.342 1.00 73.44 H new ATOM 0 HG22 ILE A 38 11.153 17.475 3.337 1.00 73.44 H new ATOM 0 HG23 ILE A 38 10.079 18.765 3.927 1.00 73.44 H new ATOM 0 HD11 ILE A 38 9.227 22.038 2.540 1.00 50.15 H new ATOM 0 HD12 ILE A 38 9.098 20.457 3.346 1.00 50.15 H new ATOM 0 HD13 ILE A 38 10.441 21.554 3.747 1.00 50.15 H new ATOM 553 N GLU A 39 13.966 17.955 2.931 1.00 21.13 N ATOM 554 CA GLU A 39 14.830 16.842 3.287 1.00 71.10 C ATOM 555 C GLU A 39 16.070 16.824 2.390 1.00 15.53 C ATOM 556 O GLU A 39 16.270 17.732 1.585 1.00 42.21 O ATOM 557 CB GLU A 39 14.075 15.514 3.205 1.00 71.25 C ATOM 558 CG GLU A 39 14.036 14.993 1.766 1.00 5.23 C ATOM 559 CD GLU A 39 13.117 13.776 1.648 1.00 22.12 C ATOM 560 OE1 GLU A 39 13.483 12.677 2.092 1.00 10.43 O ATOM 561 OE2 GLU A 39 11.985 14.001 1.072 1.00 44.23 O ATOM 0 H GLU A 39 13.823 18.081 1.929 1.00 21.13 H new ATOM 0 HA GLU A 39 15.154 16.975 4.319 1.00 71.10 H new ATOM 0 HB2 GLU A 39 14.556 14.778 3.849 1.00 71.25 H new ATOM 0 HB3 GLU A 39 13.058 15.646 3.575 1.00 71.25 H new ATOM 0 HG2 GLU A 39 13.688 15.782 1.099 1.00 5.23 H new ATOM 0 HG3 GLU A 39 15.043 14.725 1.445 1.00 5.23 H new ATOM 569 N LYS A 40 16.869 15.782 2.560 1.00 31.42 N ATOM 570 CA LYS A 40 18.083 15.634 1.776 1.00 4.13 C ATOM 571 C LYS A 40 18.248 14.168 1.369 1.00 13.44 C ATOM 572 O LYS A 40 17.794 13.270 2.076 1.00 72.30 O ATOM 573 CB LYS A 40 19.284 16.199 2.537 1.00 3.44 C ATOM 574 CG LYS A 40 20.274 16.868 1.581 1.00 10.32 C ATOM 575 CD LYS A 40 21.497 17.392 2.336 1.00 24.43 C ATOM 576 CE LYS A 40 21.083 18.104 3.625 1.00 12.02 C ATOM 577 NZ LYS A 40 22.265 18.686 4.299 1.00 1.00 N ATOM 0 H LYS A 40 16.700 15.031 3.230 1.00 31.42 H new ATOM 0 HA LYS A 40 18.015 16.215 0.856 1.00 4.13 H new ATOM 0 HB2 LYS A 40 18.942 16.923 3.277 1.00 3.44 H new ATOM 0 HB3 LYS A 40 19.784 15.398 3.081 1.00 3.44 H new ATOM 0 HG2 LYS A 40 20.590 16.154 0.821 1.00 10.32 H new ATOM 0 HG3 LYS A 40 19.783 17.691 1.061 1.00 10.32 H new ATOM 0 HD2 LYS A 40 22.165 16.564 2.572 1.00 24.43 H new ATOM 0 HD3 LYS A 40 22.054 18.079 1.700 1.00 24.43 H new ATOM 0 HE2 LYS A 40 20.363 18.890 3.398 1.00 12.02 H new ATOM 0 HE3 LYS A 40 20.586 17.400 4.293 1.00 12.02 H new ATOM 0 HZ1 LYS A 40 21.966 19.165 5.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 22.939 17.929 4.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 22.722 19.373 3.666 1.00 1.00 H new ATOM 590 N LEU A 41 18.898 13.973 0.232 1.00 61.42 N ATOM 591 CA LEU A 41 19.128 12.631 -0.278 1.00 11.34 C ATOM 592 C LEU A 41 20.541 12.546 -0.859 1.00 54.40 C ATOM 593 O LEU A 41 21.196 13.568 -1.060 1.00 14.15 O ATOM 594 CB LEU A 41 18.030 12.239 -1.269 1.00 3.22 C ATOM 595 CG LEU A 41 16.608 12.662 -0.896 1.00 72.20 C ATOM 596 CD1 LEU A 41 15.701 12.682 -2.128 1.00 62.32 C ATOM 597 CD2 LEU A 41 16.045 11.773 0.215 1.00 3.32 C ATOM 0 H LEU A 41 19.273 14.721 -0.351 1.00 61.42 H new ATOM 0 HA LEU A 41 19.071 11.901 0.530 1.00 11.34 H new ATOM 0 HB2 LEU A 41 18.273 12.671 -2.240 1.00 3.22 H new ATOM 0 HB3 LEU A 41 18.046 11.156 -1.389 1.00 3.22 H new ATOM 0 HG LEU A 41 16.646 13.679 -0.507 1.00 72.20 H new ATOM 0 HD11 LEU A 41 14.696 12.986 -1.835 1.00 62.32 H new ATOM 0 HD12 LEU A 41 16.095 13.388 -2.859 1.00 62.32 H new ATOM 0 HD13 LEU A 41 15.665 11.686 -2.569 1.00 62.32 H new ATOM 0 HD21 LEU A 41 15.033 12.095 0.461 1.00 3.32 H new ATOM 0 HD22 LEU A 41 16.024 10.737 -0.124 1.00 3.32 H new ATOM 0 HD23 LEU A 41 16.676 11.853 1.100 1.00 3.32 H new ATOM 609 N ILE A 42 20.968 11.319 -1.113 1.00 65.45 N ATOM 610 CA ILE A 42 22.291 11.087 -1.668 1.00 5.01 C ATOM 611 C ILE A 42 22.156 10.573 -3.103 1.00 14.23 C ATOM 612 O ILE A 42 21.194 9.879 -3.429 1.00 10.12 O ATOM 613 CB ILE A 42 23.100 10.161 -0.757 1.00 34.21 C ATOM 614 CG1 ILE A 42 23.536 10.888 0.517 1.00 54.14 C ATOM 615 CG2 ILE A 42 24.288 9.555 -1.506 1.00 71.24 C ATOM 616 CD1 ILE A 42 22.327 11.448 1.269 1.00 0.14 C ATOM 0 H ILE A 42 20.422 10.474 -0.945 1.00 65.45 H new ATOM 0 HA ILE A 42 22.852 12.020 -1.715 1.00 5.01 H new ATOM 0 HB ILE A 42 22.457 9.335 -0.452 1.00 34.21 H new ATOM 0 HG12 ILE A 42 24.084 10.202 1.162 1.00 54.14 H new ATOM 0 HG13 ILE A 42 24.218 11.699 0.262 1.00 54.14 H new ATOM 0 HG21 ILE A 42 24.846 8.901 -0.835 1.00 71.24 H new ATOM 0 HG22 ILE A 42 23.926 8.978 -2.357 1.00 71.24 H new ATOM 0 HG23 ILE A 42 24.940 10.353 -1.860 1.00 71.24 H new ATOM 0 HD11 ILE A 42 22.664 11.960 2.170 1.00 0.14 H new ATOM 0 HD12 ILE A 42 21.795 12.152 0.629 1.00 0.14 H new ATOM 0 HD13 ILE A 42 21.659 10.631 1.544 1.00 0.14 H new ATOM 628 N ILE A 43 23.133 10.934 -3.921 1.00 53.15 N ATOM 629 CA ILE A 43 23.134 10.518 -5.314 1.00 3.22 C ATOM 630 C ILE A 43 24.556 10.128 -5.723 1.00 51.03 C ATOM 631 O ILE A 43 24.847 9.985 -6.910 1.00 13.01 O ATOM 632 CB ILE A 43 22.516 11.603 -6.198 1.00 15.03 C ATOM 633 CG1 ILE A 43 23.124 12.973 -5.892 1.00 23.04 C ATOM 634 CG2 ILE A 43 20.991 11.612 -6.069 1.00 31.41 C ATOM 635 CD1 ILE A 43 24.107 13.393 -6.986 1.00 41.14 C ATOM 0 H ILE A 43 23.929 11.510 -3.647 1.00 53.15 H new ATOM 0 HA ILE A 43 22.509 9.635 -5.449 1.00 3.22 H new ATOM 0 HB ILE A 43 22.751 11.371 -7.237 1.00 15.03 H new ATOM 0 HG12 ILE A 43 22.331 13.716 -5.806 1.00 23.04 H new ATOM 0 HG13 ILE A 43 23.636 12.941 -4.930 1.00 23.04 H new ATOM 0 HG21 ILE A 43 20.576 12.392 -6.707 1.00 31.41 H new ATOM 0 HG22 ILE A 43 20.594 10.644 -6.375 1.00 31.41 H new ATOM 0 HG23 ILE A 43 20.715 11.806 -5.033 1.00 31.41 H new ATOM 0 HD11 ILE A 43 24.525 14.370 -6.744 1.00 41.14 H new ATOM 0 HD12 ILE A 43 24.912 12.661 -7.053 1.00 41.14 H new ATOM 0 HD13 ILE A 43 23.586 13.448 -7.942 1.00 41.14 H new ATOM 647 N ASP A 44 25.404 9.967 -4.718 1.00 72.12 N ATOM 648 CA ASP A 44 26.788 9.596 -4.959 1.00 0.02 C ATOM 649 C ASP A 44 27.000 8.139 -4.544 1.00 64.44 C ATOM 650 O ASP A 44 27.871 7.842 -3.727 1.00 53.52 O ATOM 651 CB ASP A 44 27.742 10.465 -4.137 1.00 11.10 C ATOM 652 CG ASP A 44 27.507 10.432 -2.625 1.00 63.55 C ATOM 653 OD1 ASP A 44 27.024 9.431 -2.076 1.00 75.43 O ATOM 654 OD2 ASP A 44 27.848 11.505 -1.997 1.00 1.31 O ATOM 0 H ASP A 44 25.159 10.087 -3.735 1.00 72.12 H new ATOM 0 HA ASP A 44 26.995 9.737 -6.020 1.00 0.02 H new ATOM 0 HB2 ASP A 44 28.765 10.145 -4.338 1.00 11.10 H new ATOM 0 HB3 ASP A 44 27.657 11.496 -4.480 1.00 11.10 H new ATOM 660 N GLU A 45 26.190 7.267 -5.127 1.00 43.11 N ATOM 661 CA GLU A 45 26.279 5.848 -4.829 1.00 34.35 C ATOM 662 C GLU A 45 26.051 5.023 -6.097 1.00 43.32 C ATOM 663 O GLU A 45 26.812 4.102 -6.388 1.00 25.35 O ATOM 664 CB GLU A 45 25.285 5.455 -3.734 1.00 35.21 C ATOM 665 CG GLU A 45 25.012 6.630 -2.793 1.00 40.21 C ATOM 666 CD GLU A 45 24.438 6.144 -1.461 1.00 1.24 C ATOM 667 OE1 GLU A 45 23.221 6.232 -1.241 1.00 10.52 O ATOM 668 OE2 GLU A 45 25.305 5.660 -0.638 1.00 24.52 O ATOM 0 H GLU A 45 25.469 7.516 -5.804 1.00 43.11 H new ATOM 0 HA GLU A 45 27.282 5.637 -4.458 1.00 34.35 H new ATOM 0 HB2 GLU A 45 24.351 5.123 -4.188 1.00 35.21 H new ATOM 0 HB3 GLU A 45 25.679 4.613 -3.165 1.00 35.21 H new ATOM 0 HG2 GLU A 45 25.936 7.181 -2.616 1.00 40.21 H new ATOM 0 HG3 GLU A 45 24.314 7.322 -3.263 1.00 40.21 H new ATOM 676 N LYS A 46 25.001 5.385 -6.819 1.00 73.41 N ATOM 677 CA LYS A 46 24.664 4.690 -8.050 1.00 33.20 C ATOM 678 C LYS A 46 24.823 5.649 -9.232 1.00 33.44 C ATOM 679 O LYS A 46 25.312 6.765 -9.068 1.00 64.03 O ATOM 680 CB LYS A 46 23.271 4.065 -7.948 1.00 71.32 C ATOM 681 CG LYS A 46 22.285 5.027 -7.283 1.00 2.24 C ATOM 682 CD LYS A 46 22.081 6.280 -8.137 1.00 35.11 C ATOM 683 CE LYS A 46 22.704 7.507 -7.469 1.00 13.14 C ATOM 684 NZ LYS A 46 22.010 8.741 -7.901 1.00 20.10 N ATOM 0 H LYS A 46 24.372 6.150 -6.575 1.00 73.41 H new ATOM 0 HA LYS A 46 25.349 3.859 -8.219 1.00 33.20 H new ATOM 0 HB2 LYS A 46 22.913 3.802 -8.943 1.00 71.32 H new ATOM 0 HB3 LYS A 46 23.325 3.140 -7.374 1.00 71.32 H new ATOM 0 HG2 LYS A 46 21.329 4.526 -7.132 1.00 2.24 H new ATOM 0 HG3 LYS A 46 22.656 5.310 -6.298 1.00 2.24 H new ATOM 0 HD2 LYS A 46 22.528 6.131 -9.120 1.00 35.11 H new ATOM 0 HD3 LYS A 46 21.015 6.448 -8.293 1.00 35.11 H new ATOM 0 HE2 LYS A 46 22.643 7.409 -6.385 1.00 13.14 H new ATOM 0 HE3 LYS A 46 23.762 7.569 -7.724 1.00 13.14 H new ATOM 0 HZ1 LYS A 46 22.648 9.555 -7.792 1.00 20.10 H new ATOM 0 HZ2 LYS A 46 21.731 8.651 -8.899 1.00 20.10 H new ATOM 0 HZ3 LYS A 46 21.162 8.885 -7.316 1.00 20.10 H new ATOM 697 N LYS A 47 24.399 5.178 -10.396 1.00 24.25 N ATOM 698 CA LYS A 47 24.489 5.979 -11.604 1.00 54.42 C ATOM 699 C LYS A 47 23.083 6.208 -12.164 1.00 43.11 C ATOM 700 O LYS A 47 22.916 6.895 -13.171 1.00 5.45 O ATOM 701 CB LYS A 47 25.452 5.336 -12.604 1.00 33.01 C ATOM 702 CG LYS A 47 25.521 3.821 -12.401 1.00 4.01 C ATOM 703 CD LYS A 47 24.267 3.136 -12.947 1.00 52.50 C ATOM 704 CE LYS A 47 23.629 2.235 -11.888 1.00 62.11 C ATOM 705 NZ LYS A 47 23.254 0.930 -12.477 1.00 34.25 N ATOM 0 H LYS A 47 23.992 4.252 -10.527 1.00 24.25 H new ATOM 0 HA LYS A 47 24.908 6.960 -11.380 1.00 54.42 H new ATOM 0 HB2 LYS A 47 25.127 5.556 -13.621 1.00 33.01 H new ATOM 0 HB3 LYS A 47 26.446 5.768 -12.487 1.00 33.01 H new ATOM 0 HG2 LYS A 47 26.404 3.423 -12.902 1.00 4.01 H new ATOM 0 HG3 LYS A 47 25.629 3.597 -11.340 1.00 4.01 H new ATOM 0 HD2 LYS A 47 23.548 3.889 -13.270 1.00 52.50 H new ATOM 0 HD3 LYS A 47 24.525 2.544 -13.825 1.00 52.50 H new ATOM 0 HE2 LYS A 47 24.326 2.082 -11.064 1.00 62.11 H new ATOM 0 HE3 LYS A 47 22.746 2.721 -11.473 1.00 62.11 H new ATOM 0 HZ1 LYS A 47 22.218 0.838 -12.486 1.00 34.25 H new ATOM 0 HZ2 LYS A 47 23.615 0.872 -13.451 1.00 34.25 H new ATOM 0 HZ3 LYS A 47 23.665 0.162 -11.909 1.00 34.25 H new ATOM 718 N TYR A 48 22.108 5.619 -11.488 1.00 23.04 N ATOM 719 CA TYR A 48 20.723 5.750 -11.905 1.00 34.00 C ATOM 720 C TYR A 48 19.770 5.315 -10.789 1.00 64.32 C ATOM 721 O TYR A 48 19.876 4.201 -10.277 1.00 43.41 O ATOM 722 CB TYR A 48 20.552 4.810 -13.100 1.00 53.53 C ATOM 723 CG TYR A 48 19.795 3.521 -12.775 1.00 41.12 C ATOM 724 CD1 TYR A 48 18.456 3.571 -12.444 1.00 5.34 C ATOM 725 CD2 TYR A 48 20.451 2.307 -12.814 1.00 4.55 C ATOM 726 CE1 TYR A 48 17.744 2.358 -12.137 1.00 64.35 C ATOM 727 CE2 TYR A 48 19.739 1.094 -12.507 1.00 64.15 C ATOM 728 CZ TYR A 48 18.421 1.179 -12.185 1.00 20.15 C ATOM 729 OH TYR A 48 17.749 0.033 -11.895 1.00 75.35 O ATOM 0 H TYR A 48 22.250 5.050 -10.654 1.00 23.04 H new ATOM 0 HA TYR A 48 20.493 6.787 -12.152 1.00 34.00 H new ATOM 0 HB2 TYR A 48 20.023 5.339 -13.893 1.00 53.53 H new ATOM 0 HB3 TYR A 48 21.537 4.552 -13.490 1.00 53.53 H new ATOM 0 HD1 TYR A 48 17.942 4.520 -12.415 1.00 5.34 H new ATOM 0 HD2 TYR A 48 21.498 2.267 -13.075 1.00 4.55 H new ATOM 0 HE1 TYR A 48 16.697 2.383 -11.875 1.00 64.35 H new ATOM 0 HE2 TYR A 48 20.241 0.138 -12.532 1.00 64.15 H new ATOM 0 HH TYR A 48 18.358 -0.731 -11.970 1.00 75.35 H new ATOM 739 N TYR A 49 18.862 6.216 -10.445 1.00 71.43 N ATOM 740 CA TYR A 49 17.892 5.939 -9.400 1.00 33.34 C ATOM 741 C TYR A 49 16.462 6.068 -9.930 1.00 22.52 C ATOM 742 O TYR A 49 16.248 6.122 -11.140 1.00 33.22 O ATOM 743 CB TYR A 49 18.120 6.999 -8.321 1.00 3.12 C ATOM 744 CG TYR A 49 18.932 6.503 -7.122 1.00 73.25 C ATOM 745 CD1 TYR A 49 18.762 5.213 -6.661 1.00 3.43 C ATOM 746 CD2 TYR A 49 19.833 7.345 -6.503 1.00 63.32 C ATOM 747 CE1 TYR A 49 19.526 4.746 -5.533 1.00 0.31 C ATOM 748 CE2 TYR A 49 20.597 6.878 -5.375 1.00 60.43 C ATOM 749 CZ TYR A 49 20.406 5.601 -4.946 1.00 13.52 C ATOM 750 OH TYR A 49 21.127 5.160 -3.881 1.00 10.34 O ATOM 0 H TYR A 49 18.778 7.139 -10.872 1.00 71.43 H new ATOM 0 HA TYR A 49 18.015 4.924 -9.022 1.00 33.34 H new ATOM 0 HB2 TYR A 49 18.633 7.851 -8.766 1.00 3.12 H new ATOM 0 HB3 TYR A 49 17.153 7.358 -7.968 1.00 3.12 H new ATOM 0 HD1 TYR A 49 18.057 4.554 -7.146 1.00 3.43 H new ATOM 0 HD2 TYR A 49 19.965 8.354 -6.864 1.00 63.32 H new ATOM 0 HE1 TYR A 49 19.403 3.739 -5.162 1.00 0.31 H new ATOM 0 HE2 TYR A 49 21.305 7.527 -4.881 1.00 60.43 H new ATOM 0 HH TYR A 49 21.715 5.877 -3.565 1.00 10.34 H new ATOM 760 N LEU A 50 15.521 6.113 -8.998 1.00 64.31 N ATOM 761 CA LEU A 50 14.118 6.234 -9.356 1.00 45.14 C ATOM 762 C LEU A 50 13.477 7.344 -8.521 1.00 23.34 C ATOM 763 O LEU A 50 14.100 7.872 -7.601 1.00 23.43 O ATOM 764 CB LEU A 50 13.414 4.882 -9.228 1.00 53.20 C ATOM 765 CG LEU A 50 13.764 3.839 -10.291 1.00 42.45 C ATOM 766 CD1 LEU A 50 14.747 2.804 -9.741 1.00 52.02 C ATOM 767 CD2 LEU A 50 12.501 3.187 -10.857 1.00 10.11 C ATOM 0 H LEU A 50 15.703 6.068 -7.995 1.00 64.31 H new ATOM 0 HA LEU A 50 14.015 6.522 -10.402 1.00 45.14 H new ATOM 0 HB2 LEU A 50 13.647 4.465 -8.248 1.00 53.20 H new ATOM 0 HB3 LEU A 50 12.338 5.052 -9.255 1.00 53.20 H new ATOM 0 HG LEU A 50 14.261 4.347 -11.117 1.00 42.45 H new ATOM 0 HD11 LEU A 50 14.979 2.074 -10.517 1.00 52.02 H new ATOM 0 HD12 LEU A 50 15.663 3.304 -9.427 1.00 52.02 H new ATOM 0 HD13 LEU A 50 14.300 2.296 -8.887 1.00 52.02 H new ATOM 0 HD21 LEU A 50 12.778 2.450 -11.610 1.00 10.11 H new ATOM 0 HD22 LEU A 50 11.954 2.696 -10.053 1.00 10.11 H new ATOM 0 HD23 LEU A 50 11.870 3.951 -11.312 1.00 10.11 H new ATOM 779 N PHE A 51 12.240 7.665 -8.871 1.00 24.45 N ATOM 780 CA PHE A 51 11.508 8.702 -8.164 1.00 70.20 C ATOM 781 C PHE A 51 10.005 8.589 -8.429 1.00 2.31 C ATOM 782 O PHE A 51 9.539 8.901 -9.524 1.00 1.54 O ATOM 783 CB PHE A 51 12.009 10.045 -8.698 1.00 14.42 C ATOM 784 CG PHE A 51 13.068 10.710 -7.816 1.00 31.42 C ATOM 785 CD1 PHE A 51 12.712 11.266 -6.627 1.00 34.41 C ATOM 786 CD2 PHE A 51 14.366 10.744 -8.221 1.00 13.02 C ATOM 787 CE1 PHE A 51 13.695 11.882 -5.808 1.00 54.14 C ATOM 788 CE2 PHE A 51 15.349 11.361 -7.402 1.00 72.54 C ATOM 789 CZ PHE A 51 14.992 11.917 -6.213 1.00 65.44 C ATOM 0 H PHE A 51 11.726 7.225 -9.635 1.00 24.45 H new ATOM 0 HA PHE A 51 11.668 8.606 -7.090 1.00 70.20 H new ATOM 0 HB2 PHE A 51 12.423 9.896 -9.695 1.00 14.42 H new ATOM 0 HB3 PHE A 51 11.161 10.722 -8.803 1.00 14.42 H new ATOM 0 HD1 PHE A 51 11.681 11.239 -6.306 1.00 34.41 H new ATOM 0 HD2 PHE A 51 14.649 10.302 -9.165 1.00 13.02 H new ATOM 0 HE1 PHE A 51 13.412 12.323 -4.863 1.00 54.14 H new ATOM 0 HE2 PHE A 51 16.380 11.389 -7.723 1.00 72.54 H new ATOM 0 HZ PHE A 51 15.739 12.386 -5.591 1.00 65.44 H new ATOM 799 N GLY A 52 9.289 8.142 -7.408 1.00 53.40 N ATOM 800 CA GLY A 52 7.848 7.985 -7.517 1.00 23.32 C ATOM 801 C GLY A 52 7.195 7.944 -6.134 1.00 2.13 C ATOM 802 O GLY A 52 6.988 8.984 -5.511 1.00 15.14 O ATOM 0 H GLY A 52 9.679 7.884 -6.502 1.00 53.40 H new ATOM 0 HA2 GLY A 52 7.431 8.810 -8.096 1.00 23.32 H new ATOM 0 HA3 GLY A 52 7.618 7.068 -8.059 1.00 23.32 H new ATOM 806 N ARG A 53 6.890 6.732 -5.694 1.00 55.12 N ATOM 807 CA ARG A 53 6.264 6.542 -4.396 1.00 42.34 C ATOM 808 C ARG A 53 6.513 5.120 -3.890 1.00 50.03 C ATOM 809 O ARG A 53 6.810 4.919 -2.714 1.00 3.22 O ATOM 810 CB ARG A 53 4.757 6.794 -4.469 1.00 51.02 C ATOM 811 CG ARG A 53 4.370 7.425 -5.808 1.00 64.05 C ATOM 812 CD ARG A 53 2.862 7.671 -5.884 1.00 2.23 C ATOM 813 NE ARG A 53 2.148 6.387 -6.064 1.00 2.43 N ATOM 814 CZ ARG A 53 0.806 6.274 -6.158 1.00 2.43 C ATOM 815 NH1 ARG A 53 0.020 7.370 -6.089 1.00 71.32 N ATOM 816 NH2 ARG A 53 0.274 5.077 -6.317 1.00 63.13 N ATOM 0 H ARG A 53 7.065 5.872 -6.213 1.00 55.12 H new ATOM 0 HA ARG A 53 6.707 7.260 -3.706 1.00 42.34 H new ATOM 0 HB2 ARG A 53 4.221 5.854 -4.338 1.00 51.02 H new ATOM 0 HB3 ARG A 53 4.455 7.450 -3.653 1.00 51.02 H new ATOM 0 HG2 ARG A 53 4.903 8.367 -5.937 1.00 64.05 H new ATOM 0 HG3 ARG A 53 4.677 6.771 -6.624 1.00 64.05 H new ATOM 0 HD2 ARG A 53 2.519 8.163 -4.974 1.00 2.23 H new ATOM 0 HD3 ARG A 53 2.636 8.342 -6.713 1.00 2.23 H new ATOM 0 HE ARG A 53 2.705 5.534 -6.121 1.00 2.43 H new ATOM 0 HH11 ARG A 53 0.439 8.291 -5.965 1.00 71.32 H new ATOM 0 HH12 ARG A 53 -0.993 7.276 -6.161 1.00 71.32 H new ATOM 0 HH21 ARG A 53 0.875 4.254 -6.367 1.00 63.13 H new ATOM 0 HH22 ARG A 53 -0.738 4.974 -6.390 1.00 63.13 H new ATOM 829 N ASN A 54 6.382 4.170 -4.804 1.00 62.41 N ATOM 830 CA ASN A 54 6.589 2.772 -4.465 1.00 61.10 C ATOM 831 C ASN A 54 8.089 2.472 -4.449 1.00 44.20 C ATOM 832 O ASN A 54 8.739 2.481 -5.493 1.00 60.14 O ATOM 833 CB ASN A 54 5.934 1.852 -5.497 1.00 43.03 C ATOM 834 CG ASN A 54 4.983 0.861 -4.823 1.00 64.24 C ATOM 835 OD1 ASN A 54 3.812 0.764 -5.151 1.00 21.21 O ATOM 836 ND2 ASN A 54 5.551 0.132 -3.866 1.00 53.41 N ATOM 0 H ASN A 54 6.135 4.341 -5.779 1.00 62.41 H new ATOM 0 HA ASN A 54 6.142 2.593 -3.487 1.00 61.10 H new ATOM 0 HB2 ASN A 54 5.386 2.449 -6.226 1.00 43.03 H new ATOM 0 HB3 ASN A 54 6.703 1.308 -6.045 1.00 43.03 H new ATOM 0 HD21 ASN A 54 5.000 -0.559 -3.357 1.00 53.41 H new ATOM 0 HD22 ASN A 54 6.537 0.264 -3.642 1.00 53.41 H new ATOM 843 N PRO A 55 8.609 2.207 -3.221 1.00 5.13 N ATOM 844 CA PRO A 55 10.021 1.905 -3.055 1.00 0.32 C ATOM 845 C PRO A 55 10.338 0.487 -3.533 1.00 44.14 C ATOM 846 O PRO A 55 11.490 0.171 -3.828 1.00 21.54 O ATOM 847 CB PRO A 55 10.295 2.108 -1.574 1.00 23.34 C ATOM 848 CG PRO A 55 8.939 2.062 -0.889 1.00 21.35 C ATOM 849 CD PRO A 55 7.870 2.188 -1.962 1.00 23.12 C ATOM 0 HA PRO A 55 10.663 2.549 -3.657 1.00 0.32 H new ATOM 0 HB2 PRO A 55 10.954 1.330 -1.189 1.00 23.34 H new ATOM 0 HB3 PRO A 55 10.790 3.062 -1.396 1.00 23.34 H new ATOM 0 HG2 PRO A 55 8.820 1.128 -0.340 1.00 21.35 H new ATOM 0 HG3 PRO A 55 8.850 2.871 -0.164 1.00 21.35 H new ATOM 0 HD2 PRO A 55 7.172 1.352 -1.925 1.00 23.12 H new ATOM 0 HD3 PRO A 55 7.284 3.098 -1.833 1.00 23.12 H new ATOM 857 N ASP A 56 9.296 -0.329 -3.597 1.00 5.24 N ATOM 858 CA ASP A 56 9.450 -1.706 -4.035 1.00 13.24 C ATOM 859 C ASP A 56 9.991 -1.724 -5.465 1.00 64.14 C ATOM 860 O ASP A 56 10.473 -2.753 -5.938 1.00 12.24 O ATOM 861 CB ASP A 56 8.107 -2.438 -4.028 1.00 74.43 C ATOM 862 CG ASP A 56 8.146 -3.866 -4.577 1.00 61.02 C ATOM 863 OD1 ASP A 56 7.255 -4.285 -5.331 1.00 22.30 O ATOM 864 OD2 ASP A 56 9.158 -4.569 -4.196 1.00 2.04 O ATOM 0 H ASP A 56 8.342 -0.063 -3.353 1.00 5.24 H new ATOM 0 HA ASP A 56 10.136 -2.204 -3.350 1.00 13.24 H new ATOM 0 HB2 ASP A 56 7.732 -2.468 -3.005 1.00 74.43 H new ATOM 0 HB3 ASP A 56 7.392 -1.859 -4.613 1.00 74.43 H new ATOM 870 N LEU A 57 9.895 -0.574 -6.115 1.00 53.44 N ATOM 871 CA LEU A 57 10.369 -0.444 -7.483 1.00 21.53 C ATOM 872 C LEU A 57 11.398 0.686 -7.556 1.00 70.54 C ATOM 873 O LEU A 57 12.460 0.525 -8.157 1.00 15.13 O ATOM 874 CB LEU A 57 9.192 -0.268 -8.444 1.00 12.12 C ATOM 875 CG LEU A 57 7.819 -0.677 -7.905 1.00 42.34 C ATOM 876 CD1 LEU A 57 6.698 -0.135 -8.794 1.00 1.50 C ATOM 877 CD2 LEU A 57 7.729 -2.194 -7.730 1.00 13.10 C ATOM 0 H LEU A 57 9.496 0.277 -5.720 1.00 53.44 H new ATOM 0 HA LEU A 57 10.874 -1.357 -7.800 1.00 21.53 H new ATOM 0 HB2 LEU A 57 9.146 0.779 -8.743 1.00 12.12 H new ATOM 0 HB3 LEU A 57 9.394 -0.848 -9.345 1.00 12.12 H new ATOM 0 HG LEU A 57 7.692 -0.231 -6.919 1.00 42.34 H new ATOM 0 HD11 LEU A 57 5.733 -0.440 -8.389 1.00 1.50 H new ATOM 0 HD12 LEU A 57 6.752 0.953 -8.824 1.00 1.50 H new ATOM 0 HD13 LEU A 57 6.810 -0.532 -9.803 1.00 1.50 H new ATOM 0 HD21 LEU A 57 6.744 -2.458 -7.346 1.00 13.10 H new ATOM 0 HD22 LEU A 57 7.886 -2.681 -8.692 1.00 13.10 H new ATOM 0 HD23 LEU A 57 8.493 -2.525 -7.027 1.00 13.10 H new ATOM 889 N CYS A 58 11.047 1.803 -6.937 1.00 44.23 N ATOM 890 CA CYS A 58 11.927 2.960 -6.925 1.00 62.42 C ATOM 891 C CYS A 58 12.794 2.890 -5.666 1.00 41.45 C ATOM 892 O CYS A 58 12.519 2.104 -4.761 1.00 41.15 O ATOM 893 CB CYS A 58 11.141 4.270 -7.005 1.00 73.52 C ATOM 894 SG CYS A 58 10.032 4.246 -8.461 1.00 43.02 S ATOM 0 H CYS A 58 10.166 1.932 -6.440 1.00 44.23 H new ATOM 0 HA CYS A 58 12.567 2.943 -7.807 1.00 62.42 H new ATOM 0 HB2 CYS A 58 10.557 4.410 -6.095 1.00 73.52 H new ATOM 0 HB3 CYS A 58 11.829 5.113 -7.075 1.00 73.52 H new ATOM 0 HG CYS A 58 8.868 4.720 -8.128 1.00 43.02 H new ATOM 900 N ASP A 59 13.824 3.724 -5.649 1.00 72.02 N ATOM 901 CA ASP A 59 14.733 3.767 -4.516 1.00 52.24 C ATOM 902 C ASP A 59 14.280 4.860 -3.546 1.00 40.22 C ATOM 903 O ASP A 59 14.452 4.730 -2.335 1.00 50.42 O ATOM 904 CB ASP A 59 16.158 4.095 -4.966 1.00 70.11 C ATOM 905 CG ASP A 59 17.191 3.000 -4.690 1.00 51.41 C ATOM 906 OD1 ASP A 59 17.640 2.300 -5.609 1.00 61.14 O ATOM 907 OD2 ASP A 59 17.539 2.879 -3.454 1.00 30.50 O ATOM 0 H ASP A 59 14.049 4.375 -6.401 1.00 72.02 H new ATOM 0 HA ASP A 59 14.722 2.788 -4.037 1.00 52.24 H new ATOM 0 HB2 ASP A 59 16.147 4.302 -6.036 1.00 70.11 H new ATOM 0 HB3 ASP A 59 16.479 5.010 -4.468 1.00 70.11 H new ATOM 913 N PHE A 60 13.710 5.913 -4.115 1.00 22.42 N ATOM 914 CA PHE A 60 13.231 7.027 -3.315 1.00 45.53 C ATOM 915 C PHE A 60 11.702 7.059 -3.279 1.00 2.23 C ATOM 916 O PHE A 60 11.048 6.114 -3.717 1.00 15.45 O ATOM 917 CB PHE A 60 13.740 8.307 -3.982 1.00 4.00 C ATOM 918 CG PHE A 60 15.172 8.684 -3.594 1.00 72.32 C ATOM 919 CD1 PHE A 60 16.000 7.748 -3.057 1.00 73.45 C ATOM 920 CD2 PHE A 60 15.616 9.955 -3.786 1.00 62.31 C ATOM 921 CE1 PHE A 60 17.328 8.097 -2.698 1.00 10.25 C ATOM 922 CE2 PHE A 60 16.945 10.304 -3.426 1.00 55.30 C ATOM 923 CZ PHE A 60 17.772 9.368 -2.889 1.00 44.24 C ATOM 0 H PHE A 60 13.569 6.018 -5.120 1.00 22.42 H new ATOM 0 HA PHE A 60 13.590 6.931 -2.290 1.00 45.53 H new ATOM 0 HB2 PHE A 60 13.687 8.186 -5.064 1.00 4.00 H new ATOM 0 HB3 PHE A 60 13.075 9.130 -3.720 1.00 4.00 H new ATOM 0 HD1 PHE A 60 15.647 6.739 -2.904 1.00 73.45 H new ATOM 0 HD2 PHE A 60 14.959 10.699 -4.212 1.00 62.31 H new ATOM 0 HE1 PHE A 60 17.986 7.353 -2.273 1.00 10.25 H new ATOM 0 HE2 PHE A 60 17.299 11.313 -3.579 1.00 55.30 H new ATOM 0 HZ PHE A 60 18.782 9.634 -2.614 1.00 44.24 H new ATOM 933 N THR A 61 11.177 8.156 -2.752 1.00 63.13 N ATOM 934 CA THR A 61 9.737 8.323 -2.653 1.00 3.12 C ATOM 935 C THR A 61 9.370 9.808 -2.680 1.00 32.03 C ATOM 936 O THR A 61 9.826 10.579 -1.837 1.00 41.53 O ATOM 937 CB THR A 61 9.264 7.603 -1.389 1.00 30.32 C ATOM 938 OG1 THR A 61 10.282 7.878 -0.430 1.00 70.14 O ATOM 939 CG2 THR A 61 9.293 6.080 -1.537 1.00 4.13 C ATOM 0 H THR A 61 11.723 8.937 -2.389 1.00 63.13 H new ATOM 0 HA THR A 61 9.227 7.879 -3.508 1.00 3.12 H new ATOM 0 HB THR A 61 8.251 7.925 -1.146 1.00 30.32 H new ATOM 0 HG1 THR A 61 10.542 8.821 -0.490 1.00 70.14 H new ATOM 0 HG21 THR A 61 8.948 5.618 -0.612 1.00 4.13 H new ATOM 0 HG22 THR A 61 8.640 5.782 -2.357 1.00 4.13 H new ATOM 0 HG23 THR A 61 10.312 5.754 -1.747 1.00 4.13 H new ATOM 947 N ILE A 62 8.548 10.164 -3.656 1.00 64.24 N ATOM 948 CA ILE A 62 8.114 11.543 -3.804 1.00 63.42 C ATOM 949 C ILE A 62 7.151 11.894 -2.669 1.00 33.22 C ATOM 950 O ILE A 62 7.078 13.047 -2.246 1.00 73.40 O ATOM 951 CB ILE A 62 7.531 11.774 -5.200 1.00 10.04 C ATOM 952 CG1 ILE A 62 8.504 11.307 -6.285 1.00 15.33 C ATOM 953 CG2 ILE A 62 7.122 13.236 -5.387 1.00 54.31 C ATOM 954 CD1 ILE A 62 7.937 11.575 -7.681 1.00 21.05 C ATOM 0 H ILE A 62 8.171 9.521 -4.352 1.00 64.24 H new ATOM 0 HA ILE A 62 8.963 12.221 -3.723 1.00 63.42 H new ATOM 0 HB ILE A 62 6.628 11.172 -5.298 1.00 10.04 H new ATOM 0 HG12 ILE A 62 9.457 11.823 -6.170 1.00 15.33 H new ATOM 0 HG13 ILE A 62 8.702 10.242 -6.167 1.00 15.33 H new ATOM 0 HG21 ILE A 62 6.711 13.374 -6.387 1.00 54.31 H new ATOM 0 HG22 ILE A 62 6.369 13.501 -4.645 1.00 54.31 H new ATOM 0 HG23 ILE A 62 7.995 13.877 -5.262 1.00 54.31 H new ATOM 0 HD11 ILE A 62 8.648 11.234 -8.434 1.00 21.05 H new ATOM 0 HD12 ILE A 62 6.996 11.038 -7.801 1.00 21.05 H new ATOM 0 HD13 ILE A 62 7.763 12.644 -7.804 1.00 21.05 H new ATOM 966 N ASP A 63 6.435 10.879 -2.207 1.00 62.44 N ATOM 967 CA ASP A 63 5.479 11.066 -1.129 1.00 62.43 C ATOM 968 C ASP A 63 4.382 12.028 -1.588 1.00 0.43 C ATOM 969 O ASP A 63 4.330 13.174 -1.142 1.00 31.54 O ATOM 970 CB ASP A 63 6.152 11.669 0.105 1.00 2.01 C ATOM 971 CG ASP A 63 5.218 11.929 1.289 1.00 41.55 C ATOM 972 OD1 ASP A 63 4.371 11.091 1.630 1.00 53.11 O ATOM 973 OD2 ASP A 63 5.389 13.064 1.878 1.00 15.21 O ATOM 0 H ASP A 63 6.498 9.924 -2.560 1.00 62.44 H new ATOM 0 HA ASP A 63 5.064 10.091 -0.873 1.00 62.43 H new ATOM 0 HB2 ASP A 63 6.948 10.999 0.430 1.00 2.01 H new ATOM 0 HB3 ASP A 63 6.623 12.610 -0.180 1.00 2.01 H new ATOM 979 N HIS A 64 3.532 11.528 -2.473 1.00 3.42 N ATOM 980 CA HIS A 64 2.439 12.330 -2.997 1.00 23.15 C ATOM 981 C HIS A 64 1.380 11.414 -3.612 1.00 61.53 C ATOM 982 O HIS A 64 1.633 10.232 -3.841 1.00 24.32 O ATOM 983 CB HIS A 64 2.959 13.380 -3.980 1.00 52.41 C ATOM 984 CG HIS A 64 1.982 14.499 -4.257 1.00 23.34 C ATOM 985 ND1 HIS A 64 0.955 14.828 -3.390 1.00 10.41 N ATOM 986 CD2 HIS A 64 1.888 15.360 -5.310 1.00 63.44 C ATOM 987 CE1 HIS A 64 0.279 15.843 -3.909 1.00 71.52 C ATOM 988 NE2 HIS A 64 0.859 16.170 -5.100 1.00 35.03 N ATOM 0 H HIS A 64 3.578 10.578 -2.840 1.00 3.42 H new ATOM 0 HA HIS A 64 1.965 12.881 -2.185 1.00 23.15 H new ATOM 0 HB2 HIS A 64 3.882 13.806 -3.586 1.00 52.41 H new ATOM 0 HB3 HIS A 64 3.210 12.890 -4.920 1.00 52.41 H new ATOM 0 HD2 HIS A 64 2.541 15.379 -6.170 1.00 63.44 H new ATOM 0 HE1 HIS A 64 -0.580 16.326 -3.467 1.00 71.52 H new ATOM 0 HE2 HIS A 64 0.552 16.915 -5.726 1.00 35.03 H new ATOM 996 N GLN A 65 0.216 11.994 -3.864 1.00 32.44 N ATOM 997 CA GLN A 65 -0.883 11.244 -4.448 1.00 50.05 C ATOM 998 C GLN A 65 -0.862 11.374 -5.973 1.00 31.22 C ATOM 999 O GLN A 65 -1.196 10.428 -6.685 1.00 31.25 O ATOM 1000 CB GLN A 65 -2.226 11.704 -3.878 1.00 2.05 C ATOM 1001 CG GLN A 65 -2.744 12.937 -4.621 1.00 34.31 C ATOM 1002 CD GLN A 65 -3.844 13.638 -3.820 1.00 64.31 C ATOM 1003 OE1 GLN A 65 -3.589 14.466 -2.962 1.00 14.54 O ATOM 1004 NE2 GLN A 65 -5.076 13.260 -4.148 1.00 11.41 N ATOM 0 H GLN A 65 0.010 12.975 -3.674 1.00 32.44 H new ATOM 0 HA GLN A 65 -0.757 10.193 -4.189 1.00 50.05 H new ATOM 0 HB2 GLN A 65 -2.954 10.896 -3.955 1.00 2.05 H new ATOM 0 HB3 GLN A 65 -2.116 11.933 -2.818 1.00 2.05 H new ATOM 0 HG2 GLN A 65 -1.922 13.630 -4.800 1.00 34.31 H new ATOM 0 HG3 GLN A 65 -3.131 12.642 -5.596 1.00 34.31 H new ATOM 0 HE21 GLN A 65 -5.218 12.561 -4.877 1.00 11.41 H new ATOM 0 HE22 GLN A 65 -5.879 13.669 -3.671 1.00 11.41 H new ATOM 1013 N SER A 66 -0.466 12.553 -6.429 1.00 52.00 N ATOM 1014 CA SER A 66 -0.397 12.819 -7.856 1.00 33.31 C ATOM 1015 C SER A 66 0.710 11.976 -8.492 1.00 73.13 C ATOM 1016 O SER A 66 0.497 11.344 -9.526 1.00 22.42 O ATOM 1017 CB SER A 66 -0.156 14.305 -8.128 1.00 71.24 C ATOM 1018 OG SER A 66 -1.372 15.048 -8.149 1.00 22.00 O ATOM 0 H SER A 66 -0.190 13.335 -5.836 1.00 52.00 H new ATOM 0 HA SER A 66 -1.354 12.547 -8.302 1.00 33.31 H new ATOM 0 HB2 SER A 66 0.504 14.711 -7.362 1.00 71.24 H new ATOM 0 HB3 SER A 66 0.356 14.420 -9.083 1.00 71.24 H new ATOM 0 HG SER A 66 -1.176 15.992 -8.324 1.00 22.00 H new ATOM 1024 N CYS A 67 1.867 11.994 -7.848 1.00 45.14 N ATOM 1025 CA CYS A 67 3.008 11.239 -8.338 1.00 44.45 C ATOM 1026 C CYS A 67 2.551 9.808 -8.624 1.00 34.34 C ATOM 1027 O CYS A 67 1.401 9.456 -8.362 1.00 42.13 O ATOM 1028 CB CYS A 67 4.178 11.279 -7.353 1.00 42.01 C ATOM 1029 SG CYS A 67 3.672 10.555 -5.751 1.00 34.32 S ATOM 0 H CYS A 67 2.039 12.519 -6.991 1.00 45.14 H new ATOM 0 HA CYS A 67 3.378 11.691 -9.258 1.00 44.45 H new ATOM 0 HB2 CYS A 67 5.025 10.727 -7.760 1.00 42.01 H new ATOM 0 HB3 CYS A 67 4.508 12.308 -7.209 1.00 42.01 H new ATOM 0 HG CYS A 67 2.381 10.404 -5.731 1.00 34.32 H new ATOM 1035 N SER A 68 3.474 9.020 -9.156 1.00 14.13 N ATOM 1036 CA SER A 68 3.179 7.634 -9.479 1.00 41.40 C ATOM 1037 C SER A 68 4.319 6.732 -9.003 1.00 4.22 C ATOM 1038 O SER A 68 5.411 7.212 -8.700 1.00 52.34 O ATOM 1039 CB SER A 68 2.953 7.456 -10.982 1.00 20.44 C ATOM 1040 OG SER A 68 3.172 6.111 -11.398 1.00 60.51 O ATOM 0 H SER A 68 4.426 9.315 -9.371 1.00 14.13 H new ATOM 0 HA SER A 68 2.261 7.350 -8.964 1.00 41.40 H new ATOM 0 HB2 SER A 68 1.935 7.752 -11.233 1.00 20.44 H new ATOM 0 HB3 SER A 68 3.622 8.119 -11.530 1.00 20.44 H new ATOM 0 HG SER A 68 3.016 6.037 -12.363 1.00 60.51 H new ATOM 1046 N ARG A 69 4.027 5.441 -8.951 1.00 23.01 N ATOM 1047 CA ARG A 69 5.014 4.467 -8.517 1.00 4.24 C ATOM 1048 C ARG A 69 6.403 4.854 -9.030 1.00 71.53 C ATOM 1049 O ARG A 69 7.358 4.922 -8.258 1.00 34.12 O ATOM 1050 CB ARG A 69 4.664 3.066 -9.020 1.00 32.52 C ATOM 1051 CG ARG A 69 3.569 2.432 -8.159 1.00 54.23 C ATOM 1052 CD ARG A 69 2.226 2.432 -8.893 1.00 41.22 C ATOM 1053 NE ARG A 69 1.373 1.334 -8.388 1.00 31.34 N ATOM 1054 CZ ARG A 69 0.765 1.341 -7.182 1.00 51.03 C ATOM 1055 NH1 ARG A 69 0.911 2.392 -6.347 1.00 65.33 N ATOM 1056 NH2 ARG A 69 0.025 0.305 -6.832 1.00 40.43 N ATOM 0 H ARG A 69 3.121 5.047 -9.202 1.00 23.01 H new ATOM 0 HA ARG A 69 5.015 4.459 -7.427 1.00 4.24 H new ATOM 0 HB2 ARG A 69 4.331 3.121 -10.056 1.00 32.52 H new ATOM 0 HB3 ARG A 69 5.554 2.437 -9.004 1.00 32.52 H new ATOM 0 HG2 ARG A 69 3.848 1.410 -7.904 1.00 54.23 H new ATOM 0 HG3 ARG A 69 3.475 2.980 -7.222 1.00 54.23 H new ATOM 0 HD2 ARG A 69 1.724 3.389 -8.750 1.00 41.22 H new ATOM 0 HD3 ARG A 69 2.388 2.314 -9.964 1.00 41.22 H new ATOM 0 HE ARG A 69 1.235 0.521 -8.988 1.00 31.34 H new ATOM 0 HH11 ARG A 69 1.484 3.189 -6.625 1.00 65.33 H new ATOM 0 HH12 ARG A 69 0.448 2.389 -5.438 1.00 65.33 H new ATOM 0 HH21 ARG A 69 -0.081 -0.485 -7.469 1.00 40.43 H new ATOM 0 HH22 ARG A 69 -0.441 0.294 -5.925 1.00 40.43 H new ATOM 1069 N VAL A 70 6.471 5.096 -10.331 1.00 42.11 N ATOM 1070 CA VAL A 70 7.727 5.474 -10.957 1.00 71.20 C ATOM 1071 C VAL A 70 7.535 6.782 -11.726 1.00 41.50 C ATOM 1072 O VAL A 70 7.585 6.798 -12.955 1.00 25.41 O ATOM 1073 CB VAL A 70 8.237 4.332 -11.838 1.00 74.44 C ATOM 1074 CG1 VAL A 70 9.756 4.401 -12.002 1.00 2.52 C ATOM 1075 CG2 VAL A 70 7.807 2.974 -11.279 1.00 70.11 C ATOM 0 H VAL A 70 5.677 5.038 -10.969 1.00 42.11 H new ATOM 0 HA VAL A 70 8.492 5.650 -10.201 1.00 71.20 H new ATOM 0 HB VAL A 70 7.789 4.445 -12.825 1.00 74.44 H new ATOM 0 HG11 VAL A 70 10.092 3.578 -12.633 1.00 2.52 H new ATOM 0 HG12 VAL A 70 10.029 5.349 -12.466 1.00 2.52 H new ATOM 0 HG13 VAL A 70 10.231 4.326 -11.024 1.00 2.52 H new ATOM 0 HG21 VAL A 70 8.182 2.180 -11.924 1.00 70.11 H new ATOM 0 HG22 VAL A 70 8.213 2.849 -10.275 1.00 70.11 H new ATOM 0 HG23 VAL A 70 6.719 2.925 -11.239 1.00 70.11 H new ATOM 1085 N HIS A 71 7.319 7.849 -10.971 1.00 2.34 N ATOM 1086 CA HIS A 71 7.120 9.160 -11.566 1.00 34.22 C ATOM 1087 C HIS A 71 8.251 9.453 -12.553 1.00 70.32 C ATOM 1088 O HIS A 71 8.003 9.902 -13.671 1.00 45.01 O ATOM 1089 CB HIS A 71 6.984 10.233 -10.484 1.00 23.13 C ATOM 1090 CG HIS A 71 6.813 11.632 -11.025 1.00 10.33 C ATOM 1091 ND1 HIS A 71 5.805 12.481 -10.602 1.00 2.42 N ATOM 1092 CD2 HIS A 71 7.531 12.322 -11.957 1.00 25.41 C ATOM 1093 CE1 HIS A 71 5.921 13.627 -11.257 1.00 71.14 C ATOM 1094 NE2 HIS A 71 6.991 13.526 -12.097 1.00 70.31 N ATOM 0 H HIS A 71 7.277 7.833 -9.952 1.00 2.34 H new ATOM 0 HA HIS A 71 6.185 9.171 -12.126 1.00 34.22 H new ATOM 0 HB2 HIS A 71 6.129 9.992 -9.853 1.00 23.13 H new ATOM 0 HB3 HIS A 71 7.868 10.206 -9.847 1.00 23.13 H new ATOM 0 HD2 HIS A 71 8.393 11.951 -12.491 1.00 25.41 H new ATOM 0 HE1 HIS A 71 5.281 14.490 -11.145 1.00 71.14 H new ATOM 0 HE2 HIS A 71 7.321 14.256 -12.729 1.00 70.31 H new ATOM 1103 N ALA A 72 9.469 9.186 -12.104 1.00 53.13 N ATOM 1104 CA ALA A 72 10.639 9.415 -12.934 1.00 41.42 C ATOM 1105 C ALA A 72 11.843 8.699 -12.320 1.00 21.42 C ATOM 1106 O ALA A 72 11.700 7.958 -11.348 1.00 74.45 O ATOM 1107 CB ALA A 72 10.871 10.920 -13.085 1.00 42.23 C ATOM 0 H ALA A 72 9.670 8.813 -11.176 1.00 53.13 H new ATOM 0 HA ALA A 72 10.487 9.006 -13.933 1.00 41.42 H new ATOM 0 HB1 ALA A 72 11.749 11.092 -13.708 1.00 42.23 H new ATOM 0 HB2 ALA A 72 9.999 11.377 -13.553 1.00 42.23 H new ATOM 0 HB3 ALA A 72 11.031 11.364 -12.102 1.00 42.23 H new ATOM 1113 N ALA A 73 13.003 8.944 -12.911 1.00 51.33 N ATOM 1114 CA ALA A 73 14.231 8.332 -12.434 1.00 70.42 C ATOM 1115 C ALA A 73 15.411 9.255 -12.745 1.00 73.22 C ATOM 1116 O ALA A 73 15.367 10.021 -13.707 1.00 24.14 O ATOM 1117 CB ALA A 73 14.391 6.948 -13.067 1.00 73.13 C ATOM 0 H ALA A 73 13.118 9.559 -13.717 1.00 51.33 H new ATOM 0 HA ALA A 73 14.196 8.195 -11.353 1.00 70.42 H new ATOM 0 HB1 ALA A 73 15.312 6.489 -12.709 1.00 73.13 H new ATOM 0 HB2 ALA A 73 13.543 6.322 -12.792 1.00 73.13 H new ATOM 0 HB3 ALA A 73 14.432 7.047 -14.152 1.00 73.13 H new ATOM 1123 N LEU A 74 16.437 9.151 -11.914 1.00 11.54 N ATOM 1124 CA LEU A 74 17.626 9.968 -12.088 1.00 25.42 C ATOM 1125 C LEU A 74 18.725 9.127 -12.742 1.00 1.24 C ATOM 1126 O LEU A 74 18.717 7.901 -12.640 1.00 41.32 O ATOM 1127 CB LEU A 74 18.044 10.597 -10.757 1.00 54.42 C ATOM 1128 CG LEU A 74 19.333 11.421 -10.780 1.00 52.11 C ATOM 1129 CD1 LEU A 74 19.388 12.386 -9.594 1.00 22.43 C ATOM 1130 CD2 LEU A 74 20.563 10.513 -10.838 1.00 73.14 C ATOM 0 H LEU A 74 16.470 8.514 -11.118 1.00 11.54 H new ATOM 0 HA LEU A 74 17.420 10.803 -12.758 1.00 25.42 H new ATOM 0 HB2 LEU A 74 17.233 11.237 -10.410 1.00 54.42 H new ATOM 0 HB3 LEU A 74 18.158 9.801 -10.022 1.00 54.42 H new ATOM 0 HG LEU A 74 19.336 12.025 -11.687 1.00 52.11 H new ATOM 0 HD11 LEU A 74 20.314 12.959 -9.634 1.00 22.43 H new ATOM 0 HD12 LEU A 74 18.538 13.066 -9.639 1.00 22.43 H new ATOM 0 HD13 LEU A 74 19.352 11.821 -8.663 1.00 22.43 H new ATOM 0 HD21 LEU A 74 21.466 11.124 -10.853 1.00 73.14 H new ATOM 0 HD22 LEU A 74 20.578 9.865 -9.962 1.00 73.14 H new ATOM 0 HD23 LEU A 74 20.522 9.903 -11.740 1.00 73.14 H new ATOM 1142 N VAL A 75 19.644 9.820 -13.398 1.00 22.11 N ATOM 1143 CA VAL A 75 20.747 9.153 -14.068 1.00 63.42 C ATOM 1144 C VAL A 75 21.967 10.077 -14.078 1.00 34.22 C ATOM 1145 O VAL A 75 21.902 11.190 -14.597 1.00 62.13 O ATOM 1146 CB VAL A 75 20.319 8.713 -15.470 1.00 1.31 C ATOM 1147 CG1 VAL A 75 21.497 8.113 -16.240 1.00 31.52 C ATOM 1148 CG2 VAL A 75 19.149 7.730 -15.403 1.00 30.13 C ATOM 0 H VAL A 75 19.647 10.837 -13.480 1.00 22.11 H new ATOM 0 HA VAL A 75 21.029 8.248 -13.530 1.00 63.42 H new ATOM 0 HB VAL A 75 19.982 9.598 -16.010 1.00 1.31 H new ATOM 0 HG11 VAL A 75 21.166 7.809 -17.233 1.00 31.52 H new ATOM 0 HG12 VAL A 75 22.287 8.858 -16.334 1.00 31.52 H new ATOM 0 HG13 VAL A 75 21.878 7.245 -15.703 1.00 31.52 H new ATOM 0 HG21 VAL A 75 18.865 7.433 -16.413 1.00 30.13 H new ATOM 0 HG22 VAL A 75 19.447 6.848 -14.836 1.00 30.13 H new ATOM 0 HG23 VAL A 75 18.301 8.207 -14.913 1.00 30.13 H new ATOM 1158 N TYR A 76 23.049 9.581 -13.497 1.00 44.11 N ATOM 1159 CA TYR A 76 24.282 10.349 -13.432 1.00 74.52 C ATOM 1160 C TYR A 76 25.133 10.126 -14.684 1.00 55.32 C ATOM 1161 O TYR A 76 25.692 9.048 -14.876 1.00 31.34 O ATOM 1162 CB TYR A 76 25.042 9.823 -12.213 1.00 61.43 C ATOM 1163 CG TYR A 76 26.323 10.597 -11.897 1.00 41.24 C ATOM 1164 CD1 TYR A 76 26.257 11.785 -11.197 1.00 73.42 C ATOM 1165 CD2 TYR A 76 27.545 10.108 -12.313 1.00 3.44 C ATOM 1166 CE1 TYR A 76 27.462 12.514 -10.900 1.00 24.41 C ATOM 1167 CE2 TYR A 76 28.751 10.837 -12.015 1.00 40.43 C ATOM 1168 CZ TYR A 76 28.650 12.004 -11.324 1.00 0.13 C ATOM 1169 OH TYR A 76 29.789 12.693 -11.043 1.00 32.41 O ATOM 0 H TYR A 76 23.098 8.657 -13.067 1.00 44.11 H new ATOM 0 HA TYR A 76 24.067 11.415 -13.363 1.00 74.52 H new ATOM 0 HB2 TYR A 76 24.384 9.859 -11.344 1.00 61.43 H new ATOM 0 HB3 TYR A 76 25.294 8.776 -12.379 1.00 61.43 H new ATOM 0 HD1 TYR A 76 25.301 12.168 -10.872 1.00 73.42 H new ATOM 0 HD2 TYR A 76 27.597 9.179 -12.862 1.00 3.44 H new ATOM 0 HE1 TYR A 76 27.424 13.445 -10.353 1.00 24.41 H new ATOM 0 HE2 TYR A 76 29.714 10.465 -12.333 1.00 40.43 H new ATOM 0 HH TYR A 76 29.560 13.605 -10.766 1.00 32.41 H new ATOM 1179 N HIS A 77 25.204 11.164 -15.504 1.00 54.44 N ATOM 1180 CA HIS A 77 25.977 11.096 -16.733 1.00 12.23 C ATOM 1181 C HIS A 77 27.454 10.882 -16.398 1.00 3.22 C ATOM 1182 O HIS A 77 27.915 11.274 -15.327 1.00 32.35 O ATOM 1183 CB HIS A 77 25.738 12.337 -17.595 1.00 10.43 C ATOM 1184 CG HIS A 77 25.635 12.048 -19.073 1.00 72.12 C ATOM 1185 ND1 HIS A 77 26.731 11.721 -19.851 1.00 65.43 N ATOM 1186 CD2 HIS A 77 24.555 12.039 -19.906 1.00 71.13 C ATOM 1187 CE1 HIS A 77 26.319 11.527 -21.095 1.00 72.52 C ATOM 1188 NE2 HIS A 77 24.970 11.725 -21.127 1.00 74.34 N ATOM 0 H HIS A 77 24.739 12.057 -15.342 1.00 54.44 H new ATOM 0 HA HIS A 77 25.648 10.244 -17.328 1.00 12.23 H new ATOM 0 HB2 HIS A 77 24.820 12.824 -17.266 1.00 10.43 H new ATOM 0 HB3 HIS A 77 26.551 13.044 -17.429 1.00 10.43 H new ATOM 0 HD2 HIS A 77 23.535 12.251 -19.621 1.00 71.13 H new ATOM 0 HE1 HIS A 77 26.942 11.259 -21.936 1.00 72.52 H new ATOM 0 HE2 HIS A 77 24.377 11.645 -21.953 1.00 74.34 H new ATOM 1196 N LYS A 78 28.156 10.261 -17.334 1.00 43.33 N ATOM 1197 CA LYS A 78 29.572 9.990 -17.152 1.00 42.41 C ATOM 1198 C LYS A 78 30.380 10.834 -18.141 1.00 33.13 C ATOM 1199 O LYS A 78 31.406 11.407 -17.779 1.00 41.53 O ATOM 1200 CB LYS A 78 29.848 8.489 -17.256 1.00 3.11 C ATOM 1201 CG LYS A 78 29.760 8.015 -18.708 1.00 22.52 C ATOM 1202 CD LYS A 78 29.494 6.509 -18.777 1.00 51.55 C ATOM 1203 CE LYS A 78 30.670 5.717 -18.203 1.00 11.44 C ATOM 1204 NZ LYS A 78 30.199 4.444 -17.614 1.00 72.45 N ATOM 0 H LYS A 78 27.771 9.938 -18.221 1.00 43.33 H new ATOM 0 HA LYS A 78 29.890 10.280 -16.151 1.00 42.41 H new ATOM 0 HB2 LYS A 78 30.838 8.269 -16.857 1.00 3.11 H new ATOM 0 HB3 LYS A 78 29.130 7.940 -16.646 1.00 3.11 H new ATOM 0 HG2 LYS A 78 28.964 8.553 -19.222 1.00 22.52 H new ATOM 0 HG3 LYS A 78 30.689 8.248 -19.228 1.00 22.52 H new ATOM 0 HD2 LYS A 78 28.586 6.271 -18.223 1.00 51.55 H new ATOM 0 HD3 LYS A 78 29.323 6.214 -19.812 1.00 51.55 H new ATOM 0 HE2 LYS A 78 31.397 5.514 -18.989 1.00 11.44 H new ATOM 0 HE3 LYS A 78 31.179 6.310 -17.443 1.00 11.44 H new ATOM 0 HZ1 LYS A 78 30.666 4.292 -16.697 1.00 72.45 H new ATOM 0 HZ2 LYS A 78 29.169 4.486 -17.475 1.00 72.45 H new ATOM 0 HZ3 LYS A 78 30.430 3.658 -18.255 1.00 72.45 H new ATOM 1217 N HIS A 79 29.886 10.883 -19.369 1.00 73.21 N ATOM 1218 CA HIS A 79 30.548 11.647 -20.413 1.00 24.45 C ATOM 1219 C HIS A 79 30.344 13.142 -20.162 1.00 4.10 C ATOM 1220 O HIS A 79 31.008 13.975 -20.778 1.00 23.33 O ATOM 1221 CB HIS A 79 30.068 11.206 -21.797 1.00 13.34 C ATOM 1222 CG HIS A 79 29.786 9.727 -21.907 1.00 34.12 C ATOM 1223 ND1 HIS A 79 30.764 8.798 -22.217 1.00 12.21 N ATOM 1224 CD2 HIS A 79 28.627 9.026 -21.744 1.00 72.02 C ATOM 1225 CE1 HIS A 79 30.207 7.596 -22.238 1.00 44.03 C ATOM 1226 NE2 HIS A 79 28.883 7.739 -21.946 1.00 11.34 N ATOM 0 H HIS A 79 29.034 10.406 -19.665 1.00 73.21 H new ATOM 0 HA HIS A 79 31.620 11.453 -20.387 1.00 24.45 H new ATOM 0 HB2 HIS A 79 29.162 11.758 -22.049 1.00 13.34 H new ATOM 0 HB3 HIS A 79 30.822 11.477 -22.535 1.00 13.34 H new ATOM 0 HD1 HIS A 79 31.746 9.004 -22.398 1.00 12.21 H new ATOM 0 HD2 HIS A 79 27.664 9.447 -21.493 1.00 72.02 H new ATOM 0 HE1 HIS A 79 30.713 6.666 -22.449 1.00 44.03 H new ATOM 1234 N LEU A 80 29.423 13.437 -19.257 1.00 3.43 N ATOM 1235 CA LEU A 80 29.123 14.818 -18.917 1.00 3.01 C ATOM 1236 C LEU A 80 29.516 15.077 -17.461 1.00 43.42 C ATOM 1237 O LEU A 80 29.826 16.209 -17.090 1.00 74.41 O ATOM 1238 CB LEU A 80 27.660 15.140 -19.226 1.00 32.15 C ATOM 1239 CG LEU A 80 27.200 14.865 -20.659 1.00 4.21 C ATOM 1240 CD1 LEU A 80 25.726 15.231 -20.842 1.00 20.53 C ATOM 1241 CD2 LEU A 80 28.098 15.582 -21.669 1.00 41.23 C ATOM 0 H LEU A 80 28.874 12.744 -18.748 1.00 3.43 H new ATOM 0 HA LEU A 80 29.712 15.499 -19.532 1.00 3.01 H new ATOM 0 HB2 LEU A 80 27.031 14.564 -18.547 1.00 32.15 H new ATOM 0 HB3 LEU A 80 27.486 16.193 -19.006 1.00 32.15 H new ATOM 0 HG LEU A 80 27.291 13.795 -20.848 1.00 4.21 H new ATOM 0 HD11 LEU A 80 25.425 15.026 -21.869 1.00 20.53 H new ATOM 0 HD12 LEU A 80 25.117 14.638 -20.160 1.00 20.53 H new ATOM 0 HD13 LEU A 80 25.585 16.290 -20.627 1.00 20.53 H new ATOM 0 HD21 LEU A 80 27.750 15.370 -22.680 1.00 41.23 H new ATOM 0 HD22 LEU A 80 28.061 16.657 -21.490 1.00 41.23 H new ATOM 0 HD23 LEU A 80 29.124 15.231 -21.558 1.00 41.23 H new ATOM 1253 N LYS A 81 29.491 14.011 -16.676 1.00 24.41 N ATOM 1254 CA LYS A 81 29.841 14.109 -15.269 1.00 63.40 C ATOM 1255 C LYS A 81 28.772 14.922 -14.537 1.00 74.14 C ATOM 1256 O LYS A 81 29.084 15.687 -13.627 1.00 13.35 O ATOM 1257 CB LYS A 81 31.257 14.667 -15.106 1.00 75.35 C ATOM 1258 CG LYS A 81 32.296 13.702 -15.681 1.00 73.04 C ATOM 1259 CD LYS A 81 32.560 13.998 -17.159 1.00 71.31 C ATOM 1260 CE LYS A 81 33.208 15.372 -17.336 1.00 13.41 C ATOM 1261 NZ LYS A 81 33.785 15.503 -18.692 1.00 60.24 N ATOM 0 H LYS A 81 29.234 13.074 -16.987 1.00 24.41 H new ATOM 0 HA LYS A 81 29.859 13.120 -14.812 1.00 63.40 H new ATOM 0 HB2 LYS A 81 31.332 15.631 -15.610 1.00 75.35 H new ATOM 0 HB3 LYS A 81 31.463 14.842 -14.050 1.00 75.35 H new ATOM 0 HG2 LYS A 81 33.226 13.785 -15.118 1.00 73.04 H new ATOM 0 HG3 LYS A 81 31.946 12.676 -15.569 1.00 73.04 H new ATOM 0 HD2 LYS A 81 33.210 13.229 -17.577 1.00 71.31 H new ATOM 0 HD3 LYS A 81 31.623 13.960 -17.714 1.00 71.31 H new ATOM 0 HE2 LYS A 81 32.466 16.154 -17.173 1.00 13.41 H new ATOM 0 HE3 LYS A 81 33.988 15.512 -16.588 1.00 13.41 H new ATOM 0 HZ1 LYS A 81 34.221 16.442 -18.795 1.00 60.24 H new ATOM 0 HZ2 LYS A 81 34.507 14.769 -18.834 1.00 60.24 H new ATOM 0 HZ3 LYS A 81 33.033 15.391 -19.402 1.00 60.24 H new ATOM 1274 N ARG A 82 27.532 14.728 -14.964 1.00 2.54 N ATOM 1275 CA ARG A 82 26.415 15.435 -14.360 1.00 74.44 C ATOM 1276 C ARG A 82 25.281 14.459 -14.040 1.00 74.43 C ATOM 1277 O ARG A 82 25.478 13.245 -14.060 1.00 33.43 O ATOM 1278 CB ARG A 82 25.888 16.530 -15.290 1.00 64.44 C ATOM 1279 CG ARG A 82 26.795 16.693 -16.512 1.00 54.33 C ATOM 1280 CD ARG A 82 26.128 17.569 -17.576 1.00 24.14 C ATOM 1281 NE ARG A 82 27.106 18.538 -18.118 1.00 42.32 N ATOM 1282 CZ ARG A 82 27.566 19.611 -17.439 1.00 32.52 C ATOM 1283 NH1 ARG A 82 27.139 19.860 -16.183 1.00 10.14 N ATOM 1284 NH2 ARG A 82 28.439 20.411 -18.021 1.00 54.33 N ATOM 0 H ARG A 82 27.277 14.092 -15.720 1.00 2.54 H new ATOM 0 HA ARG A 82 26.773 15.897 -13.440 1.00 74.44 H new ATOM 0 HB2 ARG A 82 24.877 16.282 -15.613 1.00 64.44 H new ATOM 0 HB3 ARG A 82 25.827 17.474 -14.749 1.00 64.44 H new ATOM 0 HG2 ARG A 82 27.742 17.139 -16.210 1.00 54.33 H new ATOM 0 HG3 ARG A 82 27.024 15.714 -16.933 1.00 54.33 H new ATOM 0 HD2 ARG A 82 25.737 16.945 -18.380 1.00 24.14 H new ATOM 0 HD3 ARG A 82 25.280 18.099 -17.143 1.00 24.14 H new ATOM 0 HE ARG A 82 27.455 18.386 -19.064 1.00 42.32 H new ATOM 0 HH11 ARG A 82 26.464 19.236 -15.741 1.00 10.14 H new ATOM 0 HH12 ARG A 82 27.491 20.672 -15.676 1.00 10.14 H new ATOM 0 HH21 ARG A 82 28.757 20.215 -18.970 1.00 54.33 H new ATOM 0 HH22 ARG A 82 28.796 21.226 -17.522 1.00 54.33 H new ATOM 1297 N VAL A 83 24.118 15.026 -13.753 1.00 61.41 N ATOM 1298 CA VAL A 83 22.953 14.221 -13.429 1.00 75.32 C ATOM 1299 C VAL A 83 21.854 14.482 -14.462 1.00 5.40 C ATOM 1300 O VAL A 83 21.934 15.441 -15.229 1.00 64.40 O ATOM 1301 CB VAL A 83 22.503 14.504 -11.994 1.00 63.12 C ATOM 1302 CG1 VAL A 83 21.306 13.631 -11.612 1.00 42.22 C ATOM 1303 CG2 VAL A 83 23.659 14.311 -11.010 1.00 12.30 C ATOM 0 H VAL A 83 23.958 16.033 -13.738 1.00 61.41 H new ATOM 0 HA VAL A 83 23.198 13.160 -13.475 1.00 75.32 H new ATOM 0 HB VAL A 83 22.187 15.546 -11.941 1.00 63.12 H new ATOM 0 HG11 VAL A 83 21.007 13.852 -10.588 1.00 42.22 H new ATOM 0 HG12 VAL A 83 20.475 13.838 -12.286 1.00 42.22 H new ATOM 0 HG13 VAL A 83 21.583 12.580 -11.690 1.00 42.22 H new ATOM 0 HG21 VAL A 83 23.313 14.518 -9.997 1.00 12.30 H new ATOM 0 HG22 VAL A 83 24.018 13.284 -11.068 1.00 12.30 H new ATOM 0 HG23 VAL A 83 24.470 14.994 -11.263 1.00 12.30 H new ATOM 1313 N PHE A 84 20.854 13.613 -14.448 1.00 44.44 N ATOM 1314 CA PHE A 84 19.742 13.738 -15.374 1.00 54.53 C ATOM 1315 C PHE A 84 18.440 13.249 -14.736 1.00 71.04 C ATOM 1316 O PHE A 84 18.464 12.429 -13.820 1.00 35.10 O ATOM 1317 CB PHE A 84 20.065 12.859 -16.584 1.00 2.13 C ATOM 1318 CG PHE A 84 20.877 13.569 -17.670 1.00 32.44 C ATOM 1319 CD1 PHE A 84 22.233 13.623 -17.579 1.00 14.13 C ATOM 1320 CD2 PHE A 84 20.242 14.145 -18.726 1.00 22.43 C ATOM 1321 CE1 PHE A 84 22.986 14.281 -18.587 1.00 11.44 C ATOM 1322 CE2 PHE A 84 20.995 14.803 -19.733 1.00 65.14 C ATOM 1323 CZ PHE A 84 22.351 14.857 -19.643 1.00 3.44 C ATOM 0 H PHE A 84 20.791 12.820 -13.810 1.00 44.44 H new ATOM 0 HA PHE A 84 19.608 14.783 -15.655 1.00 54.53 H new ATOM 0 HB2 PHE A 84 20.618 11.982 -16.246 1.00 2.13 H new ATOM 0 HB3 PHE A 84 19.132 12.500 -17.019 1.00 2.13 H new ATOM 0 HD1 PHE A 84 22.737 13.166 -16.740 1.00 14.13 H new ATOM 0 HD2 PHE A 84 19.165 14.102 -18.798 1.00 22.43 H new ATOM 0 HE1 PHE A 84 24.063 14.324 -18.515 1.00 11.44 H new ATOM 0 HE2 PHE A 84 20.491 15.261 -20.571 1.00 65.14 H new ATOM 0 HZ PHE A 84 22.924 15.357 -20.410 1.00 3.44 H new ATOM 1333 N LEU A 85 17.335 13.773 -15.246 1.00 71.35 N ATOM 1334 CA LEU A 85 16.026 13.399 -14.738 1.00 51.31 C ATOM 1335 C LEU A 85 15.148 12.929 -15.899 1.00 72.33 C ATOM 1336 O LEU A 85 14.666 13.741 -16.687 1.00 13.54 O ATOM 1337 CB LEU A 85 15.416 14.548 -13.932 1.00 43.44 C ATOM 1338 CG LEU A 85 14.019 14.299 -13.360 1.00 42.25 C ATOM 1339 CD1 LEU A 85 13.768 12.804 -13.159 1.00 71.42 C ATOM 1340 CD2 LEU A 85 13.805 15.095 -12.071 1.00 54.15 C ATOM 0 H LEU A 85 17.319 14.453 -16.006 1.00 71.35 H new ATOM 0 HA LEU A 85 16.112 12.563 -14.044 1.00 51.31 H new ATOM 0 HB2 LEU A 85 16.088 14.783 -13.107 1.00 43.44 H new ATOM 0 HB3 LEU A 85 15.374 15.431 -14.570 1.00 43.44 H new ATOM 0 HG LEU A 85 13.285 14.654 -14.083 1.00 42.25 H new ATOM 0 HD11 LEU A 85 12.768 12.654 -12.752 1.00 71.42 H new ATOM 0 HD12 LEU A 85 13.850 12.289 -14.116 1.00 71.42 H new ATOM 0 HD13 LEU A 85 14.506 12.401 -12.466 1.00 71.42 H new ATOM 0 HD21 LEU A 85 12.804 14.900 -11.685 1.00 54.15 H new ATOM 0 HD22 LEU A 85 14.545 14.793 -11.330 1.00 54.15 H new ATOM 0 HD23 LEU A 85 13.913 16.160 -12.279 1.00 54.15 H new ATOM 1352 N ILE A 86 14.967 11.618 -15.969 1.00 12.10 N ATOM 1353 CA ILE A 86 14.155 11.030 -17.021 1.00 22.42 C ATOM 1354 C ILE A 86 12.698 10.967 -16.560 1.00 14.22 C ATOM 1355 O ILE A 86 12.357 10.188 -15.671 1.00 11.53 O ATOM 1356 CB ILE A 86 14.725 9.674 -17.442 1.00 64.14 C ATOM 1357 CG1 ILE A 86 16.218 9.583 -17.120 1.00 23.32 C ATOM 1358 CG2 ILE A 86 14.440 9.394 -18.919 1.00 40.44 C ATOM 1359 CD1 ILE A 86 16.911 8.553 -18.015 1.00 51.31 C ATOM 0 H ILE A 86 15.369 10.947 -15.314 1.00 12.10 H new ATOM 0 HA ILE A 86 14.180 11.653 -17.915 1.00 22.42 H new ATOM 0 HB ILE A 86 14.223 8.898 -16.864 1.00 64.14 H new ATOM 0 HG12 ILE A 86 16.683 10.559 -17.256 1.00 23.32 H new ATOM 0 HG13 ILE A 86 16.352 9.309 -16.073 1.00 23.32 H new ATOM 0 HG21 ILE A 86 14.856 8.424 -19.192 1.00 40.44 H new ATOM 0 HG22 ILE A 86 13.363 9.387 -19.087 1.00 40.44 H new ATOM 0 HG23 ILE A 86 14.898 10.171 -19.532 1.00 40.44 H new ATOM 0 HD11 ILE A 86 17.971 8.508 -17.765 1.00 51.31 H new ATOM 0 HD12 ILE A 86 16.460 7.573 -17.859 1.00 51.31 H new ATOM 0 HD13 ILE A 86 16.796 8.843 -19.059 1.00 51.31 H new ATOM 1371 N ASP A 87 11.877 11.798 -17.185 1.00 75.23 N ATOM 1372 CA ASP A 87 10.463 11.847 -16.850 1.00 64.23 C ATOM 1373 C ASP A 87 9.770 10.599 -17.401 1.00 54.30 C ATOM 1374 O ASP A 87 9.221 10.625 -18.501 1.00 74.34 O ATOM 1375 CB ASP A 87 9.793 13.074 -17.471 1.00 74.30 C ATOM 1376 CG ASP A 87 10.563 14.385 -17.306 1.00 44.01 C ATOM 1377 OD1 ASP A 87 10.062 15.467 -17.645 1.00 43.42 O ATOM 1378 OD2 ASP A 87 11.743 14.264 -16.798 1.00 61.35 O ATOM 0 H ASP A 87 12.163 12.443 -17.922 1.00 75.23 H new ATOM 0 HA ASP A 87 10.374 11.898 -15.765 1.00 64.23 H new ATOM 0 HB2 ASP A 87 9.645 12.889 -18.535 1.00 74.30 H new ATOM 0 HB3 ASP A 87 8.804 13.193 -17.028 1.00 74.30 H new ATOM 1384 N LEU A 88 9.817 9.537 -16.610 1.00 50.23 N ATOM 1385 CA LEU A 88 9.200 8.282 -17.005 1.00 12.31 C ATOM 1386 C LEU A 88 7.694 8.491 -17.177 1.00 11.43 C ATOM 1387 O LEU A 88 6.915 8.190 -16.274 1.00 12.12 O ATOM 1388 CB LEU A 88 9.558 7.174 -16.013 1.00 14.03 C ATOM 1389 CG LEU A 88 11.051 6.957 -15.759 1.00 72.03 C ATOM 1390 CD1 LEU A 88 11.295 5.643 -15.016 1.00 23.45 C ATOM 1391 CD2 LEU A 88 11.845 7.033 -17.065 1.00 2.23 C ATOM 0 H LEU A 88 10.273 9.520 -15.698 1.00 50.23 H new ATOM 0 HA LEU A 88 9.588 7.953 -17.969 1.00 12.31 H new ATOM 0 HB2 LEU A 88 9.076 7.397 -15.061 1.00 14.03 H new ATOM 0 HB3 LEU A 88 9.132 6.238 -16.375 1.00 14.03 H new ATOM 0 HG LEU A 88 11.409 7.761 -15.116 1.00 72.03 H new ATOM 0 HD11 LEU A 88 12.364 5.513 -14.848 1.00 23.45 H new ATOM 0 HD12 LEU A 88 10.777 5.666 -14.057 1.00 23.45 H new ATOM 0 HD13 LEU A 88 10.918 4.812 -15.612 1.00 23.45 H new ATOM 0 HD21 LEU A 88 12.903 6.876 -16.857 1.00 2.23 H new ATOM 0 HD22 LEU A 88 11.491 6.263 -17.751 1.00 2.23 H new ATOM 0 HD23 LEU A 88 11.706 8.014 -17.518 1.00 2.23 H new ATOM 1403 N ASN A 89 7.329 9.006 -18.342 1.00 4.01 N ATOM 1404 CA ASN A 89 5.931 9.259 -18.644 1.00 33.14 C ATOM 1405 C ASN A 89 5.228 9.776 -17.387 1.00 12.41 C ATOM 1406 O ASN A 89 4.173 9.269 -17.008 1.00 3.32 O ATOM 1407 CB ASN A 89 5.223 7.977 -19.088 1.00 14.55 C ATOM 1408 CG ASN A 89 5.898 6.742 -18.489 1.00 43.12 C ATOM 1409 OD1 ASN A 89 5.365 6.070 -17.621 1.00 45.14 O ATOM 1410 ND2 ASN A 89 7.098 6.481 -19.000 1.00 4.44 N ATOM 0 H ASN A 89 7.978 9.255 -19.088 1.00 4.01 H new ATOM 0 HA ASN A 89 5.887 9.993 -19.449 1.00 33.14 H new ATOM 0 HB2 ASN A 89 4.178 8.010 -18.781 1.00 14.55 H new ATOM 0 HB3 ASN A 89 5.233 7.910 -20.176 1.00 14.55 H new ATOM 0 HD21 ASN A 89 7.630 5.677 -18.667 1.00 4.44 H new ATOM 0 HD22 ASN A 89 7.486 7.085 -19.725 1.00 4.44 H new ATOM 1417 N SER A 90 5.841 10.779 -16.776 1.00 14.54 N ATOM 1418 CA SER A 90 5.287 11.371 -15.569 1.00 52.25 C ATOM 1419 C SER A 90 3.833 11.783 -15.809 1.00 32.24 C ATOM 1420 O SER A 90 3.505 12.337 -16.857 1.00 20.22 O ATOM 1421 CB SER A 90 6.113 12.578 -15.119 1.00 33.54 C ATOM 1422 OG SER A 90 5.328 13.521 -14.394 1.00 21.11 O ATOM 0 H SER A 90 6.716 11.197 -17.094 1.00 14.54 H new ATOM 0 HA SER A 90 5.321 10.625 -14.775 1.00 52.25 H new ATOM 0 HB2 SER A 90 6.940 12.239 -14.495 1.00 33.54 H new ATOM 0 HB3 SER A 90 6.550 13.064 -15.991 1.00 33.54 H new ATOM 0 HG SER A 90 5.880 13.945 -13.705 1.00 21.11 H new ATOM 1428 N THR A 91 3.000 11.496 -14.819 1.00 52.10 N ATOM 1429 CA THR A 91 1.588 11.830 -14.909 1.00 23.45 C ATOM 1430 C THR A 91 1.402 13.175 -15.612 1.00 51.30 C ATOM 1431 O THR A 91 0.587 13.295 -16.525 1.00 73.33 O ATOM 1432 CB THR A 91 1.004 11.797 -13.495 1.00 22.12 C ATOM 1433 OG1 THR A 91 0.005 12.813 -13.508 1.00 63.03 O ATOM 1434 CG2 THR A 91 2.003 12.271 -12.437 1.00 64.33 C ATOM 0 H THR A 91 3.275 11.036 -13.951 1.00 52.10 H new ATOM 0 HA THR A 91 1.048 11.104 -15.517 1.00 23.45 H new ATOM 0 HB THR A 91 0.680 10.783 -13.260 1.00 22.12 H new ATOM 0 HG1 THR A 91 -0.426 12.859 -12.629 1.00 63.03 H new ATOM 0 HG21 THR A 91 1.538 12.228 -11.452 1.00 64.33 H new ATOM 0 HG22 THR A 91 2.882 11.626 -12.452 1.00 64.33 H new ATOM 0 HG23 THR A 91 2.302 13.297 -12.652 1.00 64.33 H new ATOM 1442 N HIS A 92 2.171 14.155 -15.160 1.00 22.30 N ATOM 1443 CA HIS A 92 2.101 15.487 -15.735 1.00 1.44 C ATOM 1444 C HIS A 92 3.395 15.788 -16.494 1.00 21.50 C ATOM 1445 O HIS A 92 3.358 16.209 -17.649 1.00 11.11 O ATOM 1446 CB HIS A 92 1.791 16.528 -14.657 1.00 1.11 C ATOM 1447 CG HIS A 92 1.035 15.978 -13.471 1.00 61.31 C ATOM 1448 ND1 HIS A 92 -0.293 16.277 -13.224 1.00 54.34 N ATOM 1449 CD2 HIS A 92 1.435 15.144 -12.468 1.00 75.35 C ATOM 1450 CE1 HIS A 92 -0.666 15.647 -12.120 1.00 1.40 C ATOM 1451 NE2 HIS A 92 0.406 14.946 -11.653 1.00 24.23 N ATOM 0 H HIS A 92 2.846 14.053 -14.402 1.00 22.30 H new ATOM 0 HA HIS A 92 1.281 15.535 -16.452 1.00 1.44 H new ATOM 0 HB2 HIS A 92 2.727 16.964 -14.308 1.00 1.11 H new ATOM 0 HB3 HIS A 92 1.210 17.335 -15.103 1.00 1.11 H new ATOM 0 HD1 HIS A 92 -0.885 16.880 -13.795 1.00 54.34 H new ATOM 0 HD2 HIS A 92 2.421 14.718 -12.356 1.00 75.35 H new ATOM 0 HE1 HIS A 92 -1.647 15.682 -11.669 1.00 1.40 H new ATOM 1459 N GLY A 93 4.509 15.558 -15.814 1.00 50.42 N ATOM 1460 CA GLY A 93 5.812 15.799 -16.410 1.00 62.11 C ATOM 1461 C GLY A 93 6.802 16.327 -15.369 1.00 60.54 C ATOM 1462 O GLY A 93 6.426 16.592 -14.229 1.00 2.13 O ATOM 0 H GLY A 93 4.536 15.207 -14.856 1.00 50.42 H new ATOM 0 HA2 GLY A 93 6.194 14.875 -16.844 1.00 62.11 H new ATOM 0 HA3 GLY A 93 5.716 16.518 -17.224 1.00 62.11 H new ATOM 1466 N THR A 94 8.048 16.463 -15.800 1.00 34.41 N ATOM 1467 CA THR A 94 9.094 16.954 -14.920 1.00 22.33 C ATOM 1468 C THR A 94 9.660 18.273 -15.448 1.00 40.23 C ATOM 1469 O THR A 94 9.580 18.553 -16.644 1.00 32.35 O ATOM 1470 CB THR A 94 10.148 15.854 -14.779 1.00 22.33 C ATOM 1471 OG1 THR A 94 9.389 14.648 -14.744 1.00 43.15 O ATOM 1472 CG2 THR A 94 10.853 15.889 -13.421 1.00 63.22 C ATOM 0 H THR A 94 8.356 16.242 -16.747 1.00 34.41 H new ATOM 0 HA THR A 94 8.703 17.179 -13.928 1.00 22.33 H new ATOM 0 HB THR A 94 10.886 15.955 -15.574 1.00 22.33 H new ATOM 0 HG1 THR A 94 9.995 13.883 -14.656 1.00 43.15 H new ATOM 0 HG21 THR A 94 11.591 15.088 -13.373 1.00 63.22 H new ATOM 0 HG22 THR A 94 11.352 16.850 -13.295 1.00 63.22 H new ATOM 0 HG23 THR A 94 10.119 15.754 -12.626 1.00 63.22 H new ATOM 1480 N PHE A 95 10.220 19.050 -14.532 1.00 74.50 N ATOM 1481 CA PHE A 95 10.799 20.333 -14.891 1.00 14.01 C ATOM 1482 C PHE A 95 12.141 20.545 -14.187 1.00 55.21 C ATOM 1483 O PHE A 95 12.458 19.848 -13.225 1.00 31.12 O ATOM 1484 CB PHE A 95 9.817 21.412 -14.428 1.00 23.51 C ATOM 1485 CG PHE A 95 8.753 21.772 -15.467 1.00 5.32 C ATOM 1486 CD1 PHE A 95 7.812 20.857 -15.822 1.00 42.32 C ATOM 1487 CD2 PHE A 95 8.749 23.008 -16.035 1.00 2.13 C ATOM 1488 CE1 PHE A 95 6.825 21.192 -16.786 1.00 51.23 C ATOM 1489 CE2 PHE A 95 7.762 23.343 -16.999 1.00 30.12 C ATOM 1490 CZ PHE A 95 6.821 22.428 -17.354 1.00 74.02 C ATOM 0 H PHE A 95 10.285 18.815 -13.542 1.00 74.50 H new ATOM 0 HA PHE A 95 10.973 20.375 -15.966 1.00 14.01 H new ATOM 0 HB2 PHE A 95 9.322 21.072 -13.519 1.00 23.51 H new ATOM 0 HB3 PHE A 95 10.376 22.311 -14.169 1.00 23.51 H new ATOM 0 HD1 PHE A 95 7.815 19.876 -15.371 1.00 42.32 H new ATOM 0 HD2 PHE A 95 9.497 23.734 -15.753 1.00 2.13 H new ATOM 0 HE1 PHE A 95 6.077 20.466 -17.068 1.00 51.23 H new ATOM 0 HE2 PHE A 95 7.759 24.324 -17.450 1.00 30.12 H new ATOM 0 HZ PHE A 95 6.070 22.683 -18.087 1.00 74.02 H new ATOM 1500 N LEU A 96 12.892 21.511 -14.695 1.00 24.24 N ATOM 1501 CA LEU A 96 14.193 21.824 -14.127 1.00 32.53 C ATOM 1502 C LEU A 96 14.208 23.284 -13.671 1.00 52.14 C ATOM 1503 O LEU A 96 15.062 24.061 -14.094 1.00 43.23 O ATOM 1504 CB LEU A 96 15.307 21.476 -15.116 1.00 41.41 C ATOM 1505 CG LEU A 96 16.733 21.781 -14.654 1.00 4.20 C ATOM 1506 CD1 LEU A 96 16.950 21.329 -13.209 1.00 31.24 C ATOM 1507 CD2 LEU A 96 17.761 21.168 -15.607 1.00 24.43 C ATOM 0 H LEU A 96 12.625 22.087 -15.493 1.00 24.24 H new ATOM 0 HA LEU A 96 14.380 21.213 -13.244 1.00 32.53 H new ATOM 0 HB2 LEU A 96 15.241 20.413 -15.348 1.00 41.41 H new ATOM 0 HB3 LEU A 96 15.124 22.017 -16.044 1.00 41.41 H new ATOM 0 HG LEU A 96 16.876 22.861 -14.678 1.00 4.20 H new ATOM 0 HD11 LEU A 96 17.972 21.558 -12.906 1.00 31.24 H new ATOM 0 HD12 LEU A 96 16.252 21.852 -12.555 1.00 31.24 H new ATOM 0 HD13 LEU A 96 16.781 20.255 -13.135 1.00 31.24 H new ATOM 0 HD21 LEU A 96 18.766 21.400 -15.256 1.00 24.43 H new ATOM 0 HD22 LEU A 96 17.628 20.087 -15.639 1.00 24.43 H new ATOM 0 HD23 LEU A 96 17.622 21.580 -16.606 1.00 24.43 H new ATOM 1519 N GLY A 97 13.252 23.613 -12.815 1.00 50.40 N ATOM 1520 CA GLY A 97 13.144 24.967 -12.298 1.00 24.03 C ATOM 1521 C GLY A 97 12.158 25.793 -13.125 1.00 52.50 C ATOM 1522 O GLY A 97 11.100 26.182 -12.631 1.00 24.31 O ATOM 0 H GLY A 97 12.545 22.966 -12.466 1.00 50.40 H new ATOM 0 HA2 GLY A 97 12.817 24.938 -11.259 1.00 24.03 H new ATOM 0 HA3 GLY A 97 14.124 25.444 -12.311 1.00 24.03 H new ATOM 1526 N HIS A 98 12.539 26.038 -14.370 1.00 53.22 N ATOM 1527 CA HIS A 98 11.701 26.812 -15.271 1.00 32.52 C ATOM 1528 C HIS A 98 11.653 26.130 -16.640 1.00 23.02 C ATOM 1529 O HIS A 98 11.170 26.711 -17.610 1.00 74.22 O ATOM 1530 CB HIS A 98 12.180 28.263 -15.347 1.00 71.52 C ATOM 1531 CG HIS A 98 13.146 28.532 -16.477 1.00 34.24 C ATOM 1532 ND1 HIS A 98 14.518 28.563 -16.298 1.00 53.14 N ATOM 1533 CD2 HIS A 98 12.923 28.781 -17.799 1.00 62.41 C ATOM 1534 CE1 HIS A 98 15.085 28.821 -17.467 1.00 65.13 C ATOM 1535 NE2 HIS A 98 14.096 28.956 -18.396 1.00 34.10 N ATOM 0 H HIS A 98 13.417 25.714 -14.776 1.00 53.22 H new ATOM 0 HA HIS A 98 10.682 26.847 -14.886 1.00 32.52 H new ATOM 0 HB2 HIS A 98 11.314 28.915 -15.460 1.00 71.52 H new ATOM 0 HB3 HIS A 98 12.658 28.527 -14.404 1.00 71.52 H new ATOM 0 HD2 HIS A 98 11.957 28.828 -18.279 1.00 62.41 H new ATOM 0 HE1 HIS A 98 16.145 28.909 -17.652 1.00 65.13 H new ATOM 0 HE2 HIS A 98 14.234 29.158 -19.386 1.00 34.10 H new ATOM 1543 N ILE A 99 12.162 24.907 -16.674 1.00 42.22 N ATOM 1544 CA ILE A 99 12.184 24.140 -17.908 1.00 41.11 C ATOM 1545 C ILE A 99 11.389 22.847 -17.714 1.00 5.11 C ATOM 1546 O ILE A 99 11.166 22.416 -16.584 1.00 33.40 O ATOM 1547 CB ILE A 99 13.624 23.913 -18.372 1.00 42.14 C ATOM 1548 CG1 ILE A 99 14.447 25.198 -18.255 1.00 22.55 C ATOM 1549 CG2 ILE A 99 13.659 23.338 -19.790 1.00 20.02 C ATOM 1550 CD1 ILE A 99 15.941 24.908 -18.413 1.00 61.04 C ATOM 0 H ILE A 99 12.562 24.428 -15.867 1.00 42.22 H new ATOM 0 HA ILE A 99 11.699 24.695 -18.711 1.00 41.11 H new ATOM 0 HB ILE A 99 14.083 23.175 -17.713 1.00 42.14 H new ATOM 0 HG12 ILE A 99 14.128 25.909 -19.017 1.00 22.55 H new ATOM 0 HG13 ILE A 99 14.264 25.665 -17.287 1.00 22.55 H new ATOM 0 HG21 ILE A 99 14.694 23.186 -20.096 1.00 20.02 H new ATOM 0 HG22 ILE A 99 13.131 22.384 -19.809 1.00 20.02 H new ATOM 0 HG23 ILE A 99 13.176 24.033 -20.477 1.00 20.02 H new ATOM 0 HD11 ILE A 99 16.503 25.838 -18.326 1.00 61.04 H new ATOM 0 HD12 ILE A 99 16.262 24.216 -17.635 1.00 61.04 H new ATOM 0 HD13 ILE A 99 16.124 24.464 -19.391 1.00 61.04 H new ATOM 1562 N ARG A 100 10.985 22.265 -18.833 1.00 51.12 N ATOM 1563 CA ARG A 100 10.220 21.030 -18.800 1.00 50.14 C ATOM 1564 C ARG A 100 10.942 19.937 -19.592 1.00 13.53 C ATOM 1565 O ARG A 100 11.608 20.223 -20.585 1.00 40.24 O ATOM 1566 CB ARG A 100 8.821 21.233 -19.385 1.00 14.35 C ATOM 1567 CG ARG A 100 8.855 21.203 -20.914 1.00 21.41 C ATOM 1568 CD ARG A 100 8.532 19.803 -21.442 1.00 13.34 C ATOM 1569 NE ARG A 100 7.230 19.348 -20.903 1.00 64.25 N ATOM 1570 CZ ARG A 100 6.041 19.590 -21.494 1.00 33.13 C ATOM 1571 NH1 ARG A 100 5.978 20.287 -22.648 1.00 71.44 N ATOM 1572 NH2 ARG A 100 4.940 19.135 -20.925 1.00 13.52 N ATOM 0 H ARG A 100 11.173 22.626 -19.768 1.00 51.12 H new ATOM 0 HA ARG A 100 10.125 20.726 -17.757 1.00 50.14 H new ATOM 0 HB2 ARG A 100 8.153 20.454 -19.017 1.00 14.35 H new ATOM 0 HB3 ARG A 100 8.416 22.186 -19.046 1.00 14.35 H new ATOM 0 HG2 ARG A 100 8.137 21.920 -21.312 1.00 21.41 H new ATOM 0 HG3 ARG A 100 9.840 21.510 -21.266 1.00 21.41 H new ATOM 0 HD2 ARG A 100 8.500 19.814 -22.531 1.00 13.34 H new ATOM 0 HD3 ARG A 100 9.318 19.106 -21.153 1.00 13.34 H new ATOM 0 HE ARG A 100 7.232 18.819 -20.031 1.00 64.25 H new ATOM 0 HH11 ARG A 100 6.833 20.636 -23.081 1.00 71.44 H new ATOM 0 HH12 ARG A 100 5.075 20.465 -23.088 1.00 71.44 H new ATOM 0 HH21 ARG A 100 4.996 18.610 -20.052 1.00 13.52 H new ATOM 0 HH22 ARG A 100 4.033 19.309 -21.358 1.00 13.52 H new ATOM 1585 N LEU A 101 10.785 18.709 -19.121 1.00 73.13 N ATOM 1586 CA LEU A 101 11.413 17.572 -19.773 1.00 1.15 C ATOM 1587 C LEU A 101 10.335 16.700 -20.418 1.00 72.51 C ATOM 1588 O LEU A 101 9.169 16.759 -20.031 1.00 31.03 O ATOM 1589 CB LEU A 101 12.307 16.817 -18.787 1.00 31.21 C ATOM 1590 CG LEU A 101 12.446 17.438 -17.396 1.00 11.14 C ATOM 1591 CD1 LEU A 101 13.368 16.598 -16.510 1.00 1.12 C ATOM 1592 CD2 LEU A 101 12.910 18.893 -17.489 1.00 13.12 C ATOM 0 H LEU A 101 10.232 18.476 -18.296 1.00 73.13 H new ATOM 0 HA LEU A 101 12.072 17.908 -20.574 1.00 1.15 H new ATOM 0 HB2 LEU A 101 11.916 15.806 -18.674 1.00 31.21 H new ATOM 0 HB3 LEU A 101 13.301 16.728 -19.224 1.00 31.21 H new ATOM 0 HG LEU A 101 11.463 17.443 -16.925 1.00 11.14 H new ATOM 0 HD11 LEU A 101 13.450 17.062 -15.527 1.00 1.12 H new ATOM 0 HD12 LEU A 101 12.956 15.594 -16.405 1.00 1.12 H new ATOM 0 HD13 LEU A 101 14.356 16.539 -16.966 1.00 1.12 H new ATOM 0 HD21 LEU A 101 13.001 19.311 -16.486 1.00 13.12 H new ATOM 0 HD22 LEU A 101 13.878 18.935 -17.989 1.00 13.12 H new ATOM 0 HD23 LEU A 101 12.182 19.471 -18.058 1.00 13.12 H new ATOM 1604 N GLU A 102 10.763 15.909 -21.392 1.00 13.42 N ATOM 1605 CA GLU A 102 9.848 15.026 -22.095 1.00 23.42 C ATOM 1606 C GLU A 102 9.631 13.740 -21.294 1.00 1.33 C ATOM 1607 O GLU A 102 10.476 13.358 -20.485 1.00 52.33 O ATOM 1608 CB GLU A 102 10.360 14.714 -23.503 1.00 3.45 C ATOM 1609 CG GLU A 102 10.647 16.001 -24.279 1.00 4.34 C ATOM 1610 CD GLU A 102 9.671 16.168 -25.445 1.00 20.41 C ATOM 1611 OE1 GLU A 102 10.051 16.695 -26.501 1.00 13.32 O ATOM 1612 OE2 GLU A 102 8.479 15.725 -25.226 1.00 24.42 O ATOM 0 H GLU A 102 11.731 15.862 -21.710 1.00 13.42 H new ATOM 0 HA GLU A 102 8.889 15.535 -22.197 1.00 23.42 H new ATOM 0 HB2 GLU A 102 11.267 14.113 -23.439 1.00 3.45 H new ATOM 0 HB3 GLU A 102 9.621 14.119 -24.039 1.00 3.45 H new ATOM 0 HG2 GLU A 102 10.570 16.858 -23.610 1.00 4.34 H new ATOM 0 HG3 GLU A 102 11.670 15.982 -24.656 1.00 4.34 H new ATOM 1620 N PRO A 103 8.464 13.092 -21.553 1.00 21.22 N ATOM 1621 CA PRO A 103 8.125 11.858 -20.865 1.00 62.52 C ATOM 1622 C PRO A 103 8.939 10.683 -21.413 1.00 3.53 C ATOM 1623 O PRO A 103 8.377 9.659 -21.796 1.00 62.13 O ATOM 1624 CB PRO A 103 6.629 11.690 -21.072 1.00 13.32 C ATOM 1625 CG PRO A 103 6.268 12.580 -22.250 1.00 45.41 C ATOM 1626 CD PRO A 103 7.440 13.515 -22.504 1.00 21.14 C ATOM 0 HA PRO A 103 8.366 11.890 -19.802 1.00 62.52 H new ATOM 0 HB2 PRO A 103 6.378 10.649 -21.277 1.00 13.32 H new ATOM 0 HB3 PRO A 103 6.076 11.981 -20.179 1.00 13.32 H new ATOM 0 HG2 PRO A 103 6.062 11.977 -23.135 1.00 45.41 H new ATOM 0 HG3 PRO A 103 5.364 13.150 -22.035 1.00 45.41 H new ATOM 0 HD2 PRO A 103 7.796 13.434 -23.531 1.00 21.14 H new ATOM 0 HD3 PRO A 103 7.158 14.556 -22.345 1.00 21.14 H new ATOM 1634 N HIS A 104 10.251 10.872 -21.431 1.00 74.15 N ATOM 1635 CA HIS A 104 11.148 9.841 -21.925 1.00 52.25 C ATOM 1636 C HIS A 104 12.556 10.418 -22.081 1.00 3.21 C ATOM 1637 O HIS A 104 13.535 9.795 -21.672 1.00 50.21 O ATOM 1638 CB HIS A 104 10.611 9.229 -23.221 1.00 44.42 C ATOM 1639 CG HIS A 104 9.894 7.915 -23.028 1.00 73.25 C ATOM 1640 ND1 HIS A 104 10.484 6.820 -22.421 1.00 41.31 N ATOM 1641 CD2 HIS A 104 8.630 7.531 -23.368 1.00 55.41 C ATOM 1642 CE1 HIS A 104 9.606 5.828 -22.402 1.00 41.33 C ATOM 1643 NE2 HIS A 104 8.458 6.271 -22.990 1.00 74.21 N ATOM 0 H HIS A 104 10.714 11.723 -21.112 1.00 74.15 H new ATOM 0 HA HIS A 104 11.205 9.026 -21.203 1.00 52.25 H new ATOM 0 HB2 HIS A 104 9.929 9.938 -23.690 1.00 44.42 H new ATOM 0 HB3 HIS A 104 11.441 9.080 -23.912 1.00 44.42 H new ATOM 0 HD2 HIS A 104 7.894 8.148 -23.861 1.00 55.41 H new ATOM 0 HE1 HIS A 104 9.770 4.842 -21.993 1.00 41.33 H new ATOM 0 HE2 HIS A 104 7.607 5.724 -23.118 1.00 74.21 H new ATOM 1651 N LYS A 105 12.614 11.602 -22.673 1.00 0.13 N ATOM 1652 CA LYS A 105 13.886 12.270 -22.887 1.00 43.43 C ATOM 1653 C LYS A 105 14.418 12.788 -21.549 1.00 54.11 C ATOM 1654 O LYS A 105 13.718 13.504 -20.835 1.00 10.34 O ATOM 1655 CB LYS A 105 13.747 13.357 -23.956 1.00 25.24 C ATOM 1656 CG LYS A 105 12.951 12.845 -25.158 1.00 0.13 C ATOM 1657 CD LYS A 105 13.490 13.434 -26.463 1.00 55.01 C ATOM 1658 CE LYS A 105 13.581 14.959 -26.380 1.00 12.00 C ATOM 1659 NZ LYS A 105 14.397 15.491 -27.494 1.00 62.21 N ATOM 0 H LYS A 105 11.800 12.116 -23.011 1.00 0.13 H new ATOM 0 HA LYS A 105 14.625 11.567 -23.273 1.00 43.43 H new ATOM 0 HB2 LYS A 105 13.250 14.229 -23.531 1.00 25.24 H new ATOM 0 HB3 LYS A 105 14.736 13.681 -24.281 1.00 25.24 H new ATOM 0 HG2 LYS A 105 13.004 11.757 -25.197 1.00 0.13 H new ATOM 0 HG3 LYS A 105 11.900 13.109 -25.042 1.00 0.13 H new ATOM 0 HD2 LYS A 105 14.475 13.018 -26.674 1.00 55.01 H new ATOM 0 HD3 LYS A 105 12.840 13.149 -27.290 1.00 55.01 H new ATOM 0 HE2 LYS A 105 12.581 15.391 -26.415 1.00 12.00 H new ATOM 0 HE3 LYS A 105 14.021 15.252 -25.427 1.00 12.00 H new ATOM 0 HZ1 LYS A 105 14.449 16.527 -27.423 1.00 62.21 H new ATOM 0 HZ2 LYS A 105 15.356 15.092 -27.443 1.00 62.21 H new ATOM 0 HZ3 LYS A 105 13.961 15.228 -28.401 1.00 62.21 H new ATOM 1672 N PRO A 106 15.683 12.395 -21.242 1.00 50.34 N ATOM 1673 CA PRO A 106 16.316 12.812 -20.003 1.00 21.13 C ATOM 1674 C PRO A 106 16.751 14.277 -20.074 1.00 62.05 C ATOM 1675 O PRO A 106 16.973 14.810 -21.161 1.00 24.33 O ATOM 1676 CB PRO A 106 17.482 11.855 -19.815 1.00 73.53 C ATOM 1677 CG PRO A 106 17.739 11.238 -21.181 1.00 13.22 C ATOM 1678 CD PRO A 106 16.541 11.547 -22.064 1.00 43.45 C ATOM 0 HA PRO A 106 15.639 12.767 -19.150 1.00 21.13 H new ATOM 0 HB2 PRO A 106 18.365 12.381 -19.452 1.00 73.53 H new ATOM 0 HB3 PRO A 106 17.243 11.088 -19.079 1.00 73.53 H new ATOM 0 HG2 PRO A 106 18.651 11.645 -21.618 1.00 13.22 H new ATOM 0 HG3 PRO A 106 17.881 10.161 -21.093 1.00 13.22 H new ATOM 0 HD2 PRO A 106 16.844 12.058 -22.978 1.00 43.45 H new ATOM 0 HD3 PRO A 106 16.025 10.635 -22.365 1.00 43.45 H new ATOM 1686 N GLN A 107 16.860 14.887 -18.903 1.00 71.23 N ATOM 1687 CA GLN A 107 17.265 16.280 -18.820 1.00 34.24 C ATOM 1688 C GLN A 107 18.352 16.454 -17.758 1.00 22.35 C ATOM 1689 O GLN A 107 18.092 16.297 -16.566 1.00 33.33 O ATOM 1690 CB GLN A 107 16.064 17.183 -18.528 1.00 65.12 C ATOM 1691 CG GLN A 107 16.517 18.530 -17.960 1.00 33.51 C ATOM 1692 CD GLN A 107 17.583 19.170 -18.851 1.00 12.42 C ATOM 1693 OE1 GLN A 107 17.484 19.187 -20.067 1.00 4.02 O ATOM 1694 NE2 GLN A 107 18.604 19.696 -18.180 1.00 62.50 N ATOM 0 H GLN A 107 16.675 14.442 -18.004 1.00 71.23 H new ATOM 0 HA GLN A 107 17.676 16.577 -19.785 1.00 34.24 H new ATOM 0 HB2 GLN A 107 15.494 17.343 -19.443 1.00 65.12 H new ATOM 0 HB3 GLN A 107 15.398 16.691 -17.819 1.00 65.12 H new ATOM 0 HG2 GLN A 107 15.661 19.199 -17.874 1.00 33.51 H new ATOM 0 HG3 GLN A 107 16.914 18.390 -16.955 1.00 33.51 H new ATOM 0 HE21 GLN A 107 18.624 19.647 -17.161 1.00 62.50 H new ATOM 0 HE22 GLN A 107 19.367 20.148 -18.684 1.00 62.50 H new ATOM 1703 N GLN A 108 19.548 16.776 -18.228 1.00 61.52 N ATOM 1704 CA GLN A 108 20.676 16.972 -17.334 1.00 2.42 C ATOM 1705 C GLN A 108 20.248 17.784 -16.110 1.00 12.04 C ATOM 1706 O GLN A 108 19.190 18.412 -16.116 1.00 42.10 O ATOM 1707 CB GLN A 108 21.840 17.649 -18.060 1.00 43.23 C ATOM 1708 CG GLN A 108 22.048 19.077 -17.552 1.00 1.23 C ATOM 1709 CD GLN A 108 23.200 19.760 -18.292 1.00 10.44 C ATOM 1710 OE1 GLN A 108 23.296 19.730 -19.507 1.00 61.54 O ATOM 1711 NE2 GLN A 108 24.066 20.377 -17.493 1.00 11.45 N ATOM 0 H GLN A 108 19.760 16.906 -19.217 1.00 61.52 H new ATOM 0 HA GLN A 108 21.020 15.995 -16.996 1.00 2.42 H new ATOM 0 HB2 GLN A 108 22.752 17.070 -17.912 1.00 43.23 H new ATOM 0 HB3 GLN A 108 21.644 17.666 -19.132 1.00 43.23 H new ATOM 0 HG2 GLN A 108 21.132 19.652 -17.688 1.00 1.23 H new ATOM 0 HG3 GLN A 108 22.258 19.059 -16.483 1.00 1.23 H new ATOM 0 HE21 GLN A 108 23.927 20.364 -16.483 1.00 11.45 H new ATOM 0 HE22 GLN A 108 24.869 20.864 -17.891 1.00 11.45 H new ATOM 1720 N ILE A 109 21.091 17.745 -15.089 1.00 20.45 N ATOM 1721 CA ILE A 109 20.813 18.469 -13.860 1.00 32.42 C ATOM 1722 C ILE A 109 22.114 19.064 -13.318 1.00 31.11 C ATOM 1723 O ILE A 109 22.978 18.337 -12.830 1.00 34.31 O ATOM 1724 CB ILE A 109 20.086 17.567 -12.860 1.00 15.41 C ATOM 1725 CG1 ILE A 109 18.958 16.790 -13.542 1.00 31.12 C ATOM 1726 CG2 ILE A 109 19.582 18.373 -11.661 1.00 3.44 C ATOM 1727 CD1 ILE A 109 17.808 17.721 -13.931 1.00 34.40 C ATOM 0 H ILE A 109 21.967 17.223 -15.087 1.00 20.45 H new ATOM 0 HA ILE A 109 20.137 19.302 -14.053 1.00 32.42 H new ATOM 0 HB ILE A 109 20.798 16.835 -12.480 1.00 15.41 H new ATOM 0 HG12 ILE A 109 19.342 16.290 -14.431 1.00 31.12 H new ATOM 0 HG13 ILE A 109 18.591 16.013 -12.872 1.00 31.12 H new ATOM 0 HG21 ILE A 109 19.069 17.709 -10.966 1.00 3.44 H new ATOM 0 HG22 ILE A 109 20.427 18.843 -11.158 1.00 3.44 H new ATOM 0 HG23 ILE A 109 18.890 19.142 -12.005 1.00 3.44 H new ATOM 0 HD11 ILE A 109 17.020 17.143 -14.414 1.00 34.40 H new ATOM 0 HD12 ILE A 109 17.410 18.201 -13.037 1.00 34.40 H new ATOM 0 HD13 ILE A 109 18.174 18.483 -14.620 1.00 34.40 H new ATOM 1739 N PRO A 110 22.216 20.416 -13.425 1.00 32.22 N ATOM 1740 CA PRO A 110 23.397 21.117 -12.951 1.00 51.24 C ATOM 1741 C PRO A 110 23.409 21.202 -11.424 1.00 15.42 C ATOM 1742 O PRO A 110 22.393 20.953 -10.777 1.00 35.12 O ATOM 1743 CB PRO A 110 23.340 22.480 -13.622 1.00 4.00 C ATOM 1744 CG PRO A 110 21.901 22.662 -14.075 1.00 11.41 C ATOM 1745 CD PRO A 110 21.213 21.309 -13.997 1.00 51.32 C ATOM 0 HA PRO A 110 24.323 20.601 -13.205 1.00 51.24 H new ATOM 0 HB2 PRO A 110 23.634 23.269 -12.930 1.00 4.00 H new ATOM 0 HB3 PRO A 110 24.025 22.527 -14.469 1.00 4.00 H new ATOM 0 HG2 PRO A 110 21.390 23.387 -13.441 1.00 11.41 H new ATOM 0 HG3 PRO A 110 21.867 23.049 -15.093 1.00 11.41 H new ATOM 0 HD2 PRO A 110 20.321 21.354 -13.373 1.00 51.32 H new ATOM 0 HD3 PRO A 110 20.896 20.969 -14.983 1.00 51.32 H new ATOM 1753 N ILE A 111 24.569 21.556 -10.892 1.00 22.25 N ATOM 1754 CA ILE A 111 24.726 21.677 -9.452 1.00 44.31 C ATOM 1755 C ILE A 111 23.956 22.905 -8.961 1.00 62.30 C ATOM 1756 O ILE A 111 23.792 23.875 -9.699 1.00 73.10 O ATOM 1757 CB ILE A 111 26.209 21.690 -9.074 1.00 60.23 C ATOM 1758 CG1 ILE A 111 26.960 20.547 -9.761 1.00 35.10 C ATOM 1759 CG2 ILE A 111 26.388 21.662 -7.555 1.00 31.20 C ATOM 1760 CD1 ILE A 111 26.356 19.192 -9.387 1.00 32.31 C ATOM 0 H ILE A 111 25.409 21.763 -11.432 1.00 22.25 H new ATOM 0 HA ILE A 111 24.300 20.810 -8.948 1.00 44.31 H new ATOM 0 HB ILE A 111 26.645 22.623 -9.432 1.00 60.23 H new ATOM 0 HG12 ILE A 111 26.922 20.680 -10.842 1.00 35.10 H new ATOM 0 HG13 ILE A 111 28.011 20.573 -9.473 1.00 35.10 H new ATOM 0 HG21 ILE A 111 27.451 21.672 -7.314 1.00 31.20 H new ATOM 0 HG22 ILE A 111 25.908 22.537 -7.116 1.00 31.20 H new ATOM 0 HG23 ILE A 111 25.933 20.757 -7.152 1.00 31.20 H new ATOM 0 HD11 ILE A 111 26.908 18.397 -9.888 1.00 32.31 H new ATOM 0 HD12 ILE A 111 26.417 19.052 -8.308 1.00 32.31 H new ATOM 0 HD13 ILE A 111 25.312 19.161 -9.698 1.00 32.31 H new ATOM 1772 N ASP A 112 23.505 22.822 -7.718 1.00 53.02 N ATOM 1773 CA ASP A 112 22.756 23.914 -7.120 1.00 13.01 C ATOM 1774 C ASP A 112 21.548 24.241 -8.000 1.00 71.13 C ATOM 1775 O ASP A 112 20.970 25.321 -7.891 1.00 52.21 O ATOM 1776 CB ASP A 112 23.615 25.175 -7.009 1.00 12.14 C ATOM 1777 CG ASP A 112 22.919 26.377 -6.366 1.00 23.33 C ATOM 1778 OD1 ASP A 112 22.691 27.407 -7.017 1.00 63.45 O ATOM 1779 OD2 ASP A 112 22.603 26.224 -5.124 1.00 70.45 O ATOM 0 H ASP A 112 23.644 22.016 -7.109 1.00 53.02 H new ATOM 0 HA ASP A 112 22.443 23.602 -6.124 1.00 13.01 H new ATOM 0 HB2 ASP A 112 24.508 24.939 -6.430 1.00 12.14 H new ATOM 0 HB3 ASP A 112 23.948 25.458 -8.007 1.00 12.14 H new ATOM 1785 N SER A 113 21.202 23.288 -8.853 1.00 65.23 N ATOM 1786 CA SER A 113 20.074 23.461 -9.752 1.00 71.20 C ATOM 1787 C SER A 113 18.762 23.345 -8.973 1.00 61.01 C ATOM 1788 O SER A 113 18.771 23.246 -7.747 1.00 54.01 O ATOM 1789 CB SER A 113 20.110 22.434 -10.886 1.00 3.22 C ATOM 1790 OG SER A 113 18.893 22.413 -11.626 1.00 33.21 O ATOM 0 H SER A 113 21.683 22.393 -8.940 1.00 65.23 H new ATOM 0 HA SER A 113 20.140 24.454 -10.196 1.00 71.20 H new ATOM 0 HB2 SER A 113 20.938 22.663 -11.557 1.00 3.22 H new ATOM 0 HB3 SER A 113 20.300 21.444 -10.472 1.00 3.22 H new ATOM 0 HG SER A 113 18.943 23.064 -12.357 1.00 33.21 H new ATOM 1796 N THR A 114 17.666 23.361 -9.717 1.00 51.10 N ATOM 1797 CA THR A 114 16.349 23.259 -9.112 1.00 10.14 C ATOM 1798 C THR A 114 15.357 22.636 -10.095 1.00 73.51 C ATOM 1799 O THR A 114 15.216 23.106 -11.223 1.00 13.44 O ATOM 1800 CB THR A 114 15.938 24.654 -8.636 1.00 51.01 C ATOM 1801 OG1 THR A 114 16.922 24.993 -7.663 1.00 11.02 O ATOM 1802 CG2 THR A 114 14.625 24.642 -7.850 1.00 62.41 C ATOM 0 H THR A 114 17.663 23.443 -10.734 1.00 51.10 H new ATOM 0 HA THR A 114 16.362 22.595 -8.248 1.00 10.14 H new ATOM 0 HB THR A 114 15.840 25.316 -9.496 1.00 51.01 H new ATOM 0 HG1 THR A 114 17.417 24.188 -7.404 1.00 11.02 H new ATOM 0 HG21 THR A 114 14.380 25.657 -7.536 1.00 62.41 H new ATOM 0 HG22 THR A 114 13.826 24.255 -8.482 1.00 62.41 H new ATOM 0 HG23 THR A 114 14.733 24.006 -6.971 1.00 62.41 H new ATOM 1810 N VAL A 115 14.695 21.585 -9.632 1.00 53.42 N ATOM 1811 CA VAL A 115 13.720 20.892 -10.457 1.00 53.30 C ATOM 1812 C VAL A 115 12.362 20.904 -9.753 1.00 14.44 C ATOM 1813 O VAL A 115 12.269 21.269 -8.582 1.00 11.15 O ATOM 1814 CB VAL A 115 14.214 19.480 -10.777 1.00 45.34 C ATOM 1815 CG1 VAL A 115 15.618 19.251 -10.215 1.00 25.44 C ATOM 1816 CG2 VAL A 115 13.236 18.425 -10.258 1.00 12.45 C ATOM 0 H VAL A 115 14.815 21.197 -8.696 1.00 53.42 H new ATOM 0 HA VAL A 115 13.596 21.403 -11.412 1.00 53.30 H new ATOM 0 HB VAL A 115 14.267 19.381 -11.861 1.00 45.34 H new ATOM 0 HG11 VAL A 115 15.946 18.240 -10.456 1.00 25.44 H new ATOM 0 HG12 VAL A 115 16.308 19.971 -10.655 1.00 25.44 H new ATOM 0 HG13 VAL A 115 15.602 19.379 -9.133 1.00 25.44 H new ATOM 0 HG21 VAL A 115 13.612 17.431 -10.499 1.00 12.45 H new ATOM 0 HG22 VAL A 115 13.135 18.523 -9.177 1.00 12.45 H new ATOM 0 HG23 VAL A 115 12.263 18.569 -10.727 1.00 12.45 H new ATOM 1826 N SER A 116 11.342 20.501 -10.496 1.00 13.11 N ATOM 1827 CA SER A 116 9.993 20.461 -9.957 1.00 72.12 C ATOM 1828 C SER A 116 9.143 19.464 -10.748 1.00 21.23 C ATOM 1829 O SER A 116 8.840 19.692 -11.918 1.00 31.32 O ATOM 1830 CB SER A 116 9.347 21.848 -9.985 1.00 61.40 C ATOM 1831 OG SER A 116 8.917 22.210 -11.294 1.00 42.14 O ATOM 0 H SER A 116 11.422 20.199 -11.467 1.00 13.11 H new ATOM 0 HA SER A 116 10.050 20.137 -8.918 1.00 72.12 H new ATOM 0 HB2 SER A 116 8.495 21.865 -9.306 1.00 61.40 H new ATOM 0 HB3 SER A 116 10.060 22.587 -9.620 1.00 61.40 H new ATOM 0 HG SER A 116 8.503 21.435 -11.728 1.00 42.14 H new ATOM 1837 N PHE A 117 8.783 18.380 -10.077 1.00 31.34 N ATOM 1838 CA PHE A 117 7.974 17.347 -10.702 1.00 22.13 C ATOM 1839 C PHE A 117 6.517 17.796 -10.834 1.00 5.02 C ATOM 1840 O PHE A 117 6.057 18.650 -10.078 1.00 54.11 O ATOM 1841 CB PHE A 117 8.036 16.118 -9.792 1.00 1.52 C ATOM 1842 CG PHE A 117 9.335 15.319 -9.913 1.00 41.03 C ATOM 1843 CD1 PHE A 117 10.534 15.961 -9.882 1.00 31.42 C ATOM 1844 CD2 PHE A 117 9.291 13.967 -10.053 1.00 32.00 C ATOM 1845 CE1 PHE A 117 11.739 15.219 -9.995 1.00 23.34 C ATOM 1846 CE2 PHE A 117 10.496 13.225 -10.166 1.00 3.01 C ATOM 1847 CZ PHE A 117 11.695 13.867 -10.134 1.00 61.43 C ATOM 0 H PHE A 117 9.037 18.194 -9.107 1.00 31.34 H new ATOM 0 HA PHE A 117 8.352 17.133 -11.702 1.00 22.13 H new ATOM 0 HB2 PHE A 117 7.914 16.438 -8.757 1.00 1.52 H new ATOM 0 HB3 PHE A 117 7.196 15.464 -10.025 1.00 1.52 H new ATOM 0 HD1 PHE A 117 10.569 17.035 -9.771 1.00 31.42 H new ATOM 0 HD2 PHE A 117 8.339 13.458 -10.078 1.00 32.00 H new ATOM 0 HE1 PHE A 117 12.691 15.728 -9.971 1.00 23.34 H new ATOM 0 HE2 PHE A 117 10.461 12.151 -10.277 1.00 3.01 H new ATOM 0 HZ PHE A 117 12.612 13.303 -10.219 1.00 61.43 H new ATOM 1857 N GLY A 118 5.833 17.200 -11.799 1.00 43.44 N ATOM 1858 CA GLY A 118 4.438 17.528 -12.040 1.00 44.42 C ATOM 1859 C GLY A 118 3.613 17.385 -10.760 1.00 55.32 C ATOM 1860 O GLY A 118 3.267 18.381 -10.125 1.00 65.23 O ATOM 0 H GLY A 118 6.219 16.492 -12.423 1.00 43.44 H new ATOM 0 HA2 GLY A 118 4.360 18.548 -12.415 1.00 44.42 H new ATOM 0 HA3 GLY A 118 4.035 16.873 -12.812 1.00 44.42 H new ATOM 1864 N ALA A 119 3.319 16.139 -10.419 1.00 45.02 N ATOM 1865 CA ALA A 119 2.541 15.853 -9.226 1.00 73.14 C ATOM 1866 C ALA A 119 2.956 16.812 -8.109 1.00 53.42 C ATOM 1867 O ALA A 119 2.272 17.801 -7.849 1.00 52.14 O ATOM 1868 CB ALA A 119 2.727 14.386 -8.834 1.00 65.23 C ATOM 0 H ALA A 119 3.606 15.316 -10.948 1.00 45.02 H new ATOM 0 HA ALA A 119 1.479 16.008 -9.415 1.00 73.14 H new ATOM 0 HB1 ALA A 119 2.143 14.172 -7.939 1.00 65.23 H new ATOM 0 HB2 ALA A 119 2.389 13.746 -9.649 1.00 65.23 H new ATOM 0 HB3 ALA A 119 3.781 14.194 -8.634 1.00 65.23 H new ATOM 1874 N SER A 120 4.074 16.487 -7.478 1.00 63.24 N ATOM 1875 CA SER A 120 4.589 17.307 -6.395 1.00 54.41 C ATOM 1876 C SER A 120 4.898 18.716 -6.907 1.00 32.31 C ATOM 1877 O SER A 120 4.764 18.991 -8.098 1.00 72.53 O ATOM 1878 CB SER A 120 5.840 16.681 -5.776 1.00 13.11 C ATOM 1879 OG SER A 120 5.519 15.791 -4.710 1.00 5.43 O ATOM 0 H SER A 120 4.638 15.666 -7.696 1.00 63.24 H new ATOM 0 HA SER A 120 3.825 17.368 -5.620 1.00 54.41 H new ATOM 0 HB2 SER A 120 6.394 16.142 -6.544 1.00 13.11 H new ATOM 0 HB3 SER A 120 6.495 17.470 -5.405 1.00 13.11 H new ATOM 0 HG SER A 120 6.308 15.660 -4.144 1.00 5.43 H new ATOM 1885 N THR A 121 5.306 19.571 -5.981 1.00 32.11 N ATOM 1886 CA THR A 121 5.635 20.944 -6.323 1.00 42.13 C ATOM 1887 C THR A 121 6.947 21.360 -5.655 1.00 11.41 C ATOM 1888 O THR A 121 7.323 22.531 -5.692 1.00 53.14 O ATOM 1889 CB THR A 121 4.448 21.826 -5.933 1.00 53.44 C ATOM 1890 OG1 THR A 121 4.354 21.678 -4.519 1.00 63.23 O ATOM 1891 CG2 THR A 121 3.117 21.280 -6.454 1.00 54.51 C ATOM 0 H THR A 121 5.416 19.339 -4.994 1.00 32.11 H new ATOM 0 HA THR A 121 5.803 21.056 -7.394 1.00 42.13 H new ATOM 0 HB THR A 121 4.603 22.834 -6.319 1.00 53.44 H new ATOM 0 HG1 THR A 121 3.609 22.219 -4.182 1.00 63.23 H new ATOM 0 HG21 THR A 121 2.307 21.943 -6.149 1.00 54.51 H new ATOM 0 HG22 THR A 121 3.149 21.222 -7.542 1.00 54.51 H new ATOM 0 HG23 THR A 121 2.946 20.285 -6.042 1.00 54.51 H new ATOM 1899 N ARG A 122 7.608 20.379 -5.059 1.00 34.13 N ATOM 1900 CA ARG A 122 8.869 20.629 -4.383 1.00 24.41 C ATOM 1901 C ARG A 122 9.844 21.341 -5.324 1.00 34.44 C ATOM 1902 O ARG A 122 9.482 21.698 -6.444 1.00 35.25 O ATOM 1903 CB ARG A 122 9.502 19.323 -3.898 1.00 21.15 C ATOM 1904 CG ARG A 122 8.531 18.539 -3.012 1.00 70.15 C ATOM 1905 CD ARG A 122 8.050 19.392 -1.837 1.00 22.33 C ATOM 1906 NE ARG A 122 6.674 19.873 -2.090 1.00 51.20 N ATOM 1907 CZ ARG A 122 5.831 20.299 -1.125 1.00 22.30 C ATOM 1908 NH1 ARG A 122 6.218 20.306 0.168 1.00 23.13 N ATOM 1909 NH2 ARG A 122 4.623 20.707 -1.465 1.00 10.51 N ATOM 0 H ARG A 122 7.294 19.409 -5.030 1.00 34.13 H new ATOM 0 HA ARG A 122 8.663 21.263 -3.520 1.00 24.41 H new ATOM 0 HB2 ARG A 122 9.790 18.714 -4.755 1.00 21.15 H new ATOM 0 HB3 ARG A 122 10.413 19.541 -3.341 1.00 21.15 H new ATOM 0 HG2 ARG A 122 7.675 18.213 -3.604 1.00 70.15 H new ATOM 0 HG3 ARG A 122 9.020 17.640 -2.637 1.00 70.15 H new ATOM 0 HD2 ARG A 122 8.076 18.807 -0.918 1.00 22.33 H new ATOM 0 HD3 ARG A 122 8.720 20.240 -1.694 1.00 22.33 H new ATOM 0 HE ARG A 122 6.341 19.883 -3.054 1.00 51.20 H new ATOM 0 HH11 ARG A 122 7.153 19.988 0.422 1.00 23.13 H new ATOM 0 HH12 ARG A 122 5.575 20.629 0.891 1.00 23.13 H new ATOM 0 HH21 ARG A 122 4.338 20.697 -2.444 1.00 10.51 H new ATOM 0 HH22 ARG A 122 3.974 21.032 -0.748 1.00 10.51 H new ATOM 1922 N ALA A 123 11.061 21.525 -4.834 1.00 12.51 N ATOM 1923 CA ALA A 123 12.090 22.188 -5.617 1.00 12.30 C ATOM 1924 C ALA A 123 13.417 21.450 -5.436 1.00 24.22 C ATOM 1925 O ALA A 123 14.375 22.009 -4.904 1.00 44.04 O ATOM 1926 CB ALA A 123 12.179 23.658 -5.203 1.00 1.43 C ATOM 0 H ALA A 123 11.358 21.227 -3.905 1.00 12.51 H new ATOM 0 HA ALA A 123 11.841 22.163 -6.678 1.00 12.30 H new ATOM 0 HB1 ALA A 123 12.951 24.155 -5.790 1.00 1.43 H new ATOM 0 HB2 ALA A 123 11.219 24.144 -5.379 1.00 1.43 H new ATOM 0 HB3 ALA A 123 12.430 23.723 -4.144 1.00 1.43 H new ATOM 1932 N TYR A 124 13.432 20.205 -5.888 1.00 33.50 N ATOM 1933 CA TYR A 124 14.626 19.384 -5.782 1.00 70.45 C ATOM 1934 C TYR A 124 15.865 20.158 -6.236 1.00 23.21 C ATOM 1935 O TYR A 124 16.018 20.453 -7.420 1.00 65.22 O ATOM 1936 CB TYR A 124 14.407 18.198 -6.724 1.00 62.13 C ATOM 1937 CG TYR A 124 13.219 17.312 -6.344 1.00 24.14 C ATOM 1938 CD1 TYR A 124 12.497 17.580 -5.199 1.00 3.24 C ATOM 1939 CD2 TYR A 124 12.870 16.244 -7.145 1.00 40.14 C ATOM 1940 CE1 TYR A 124 11.379 16.746 -4.840 1.00 44.24 C ATOM 1941 CE2 TYR A 124 11.752 15.410 -6.787 1.00 41.12 C ATOM 1942 CZ TYR A 124 11.062 15.702 -5.652 1.00 50.33 C ATOM 1943 OH TYR A 124 10.006 14.915 -5.314 1.00 22.30 O ATOM 0 H TYR A 124 12.636 19.744 -6.329 1.00 33.50 H new ATOM 0 HA TYR A 124 14.788 19.074 -4.750 1.00 70.45 H new ATOM 0 HB2 TYR A 124 14.257 18.574 -7.736 1.00 62.13 H new ATOM 0 HB3 TYR A 124 15.311 17.589 -6.741 1.00 62.13 H new ATOM 0 HD1 TYR A 124 12.770 18.416 -4.572 1.00 3.24 H new ATOM 0 HD2 TYR A 124 13.436 16.034 -8.041 1.00 40.14 H new ATOM 0 HE1 TYR A 124 10.806 16.945 -3.947 1.00 44.24 H new ATOM 0 HE2 TYR A 124 11.468 14.572 -7.406 1.00 41.12 H new ATOM 0 HH TYR A 124 9.346 15.447 -4.823 1.00 22.30 H new ATOM 1953 N THR A 125 16.718 20.465 -5.270 1.00 23.23 N ATOM 1954 CA THR A 125 17.939 21.199 -5.555 1.00 4.13 C ATOM 1955 C THR A 125 19.146 20.258 -5.529 1.00 14.42 C ATOM 1956 O THR A 125 19.669 19.943 -4.461 1.00 54.00 O ATOM 1957 CB THR A 125 18.044 22.350 -4.552 1.00 23.43 C ATOM 1958 OG1 THR A 125 17.150 23.336 -5.060 1.00 44.01 O ATOM 1959 CG2 THR A 125 19.413 23.034 -4.586 1.00 75.51 C ATOM 0 H THR A 125 16.588 20.219 -4.289 1.00 23.23 H new ATOM 0 HA THR A 125 17.920 21.624 -6.559 1.00 4.13 H new ATOM 0 HB THR A 125 17.851 21.974 -3.547 1.00 23.43 H new ATOM 0 HG1 THR A 125 16.237 22.981 -5.060 1.00 44.01 H new ATOM 0 HG21 THR A 125 19.434 23.843 -3.856 1.00 75.51 H new ATOM 0 HG22 THR A 125 20.189 22.307 -4.345 1.00 75.51 H new ATOM 0 HG23 THR A 125 19.592 23.440 -5.582 1.00 75.51 H new ATOM 1967 N LEU A 126 19.552 19.836 -6.717 1.00 42.50 N ATOM 1968 CA LEU A 126 20.687 18.938 -6.844 1.00 42.11 C ATOM 1969 C LEU A 126 21.962 19.670 -6.420 1.00 12.51 C ATOM 1970 O LEU A 126 22.439 20.555 -7.129 1.00 51.01 O ATOM 1971 CB LEU A 126 20.754 18.356 -8.257 1.00 71.34 C ATOM 1972 CG LEU A 126 22.014 17.555 -8.594 1.00 55.01 C ATOM 1973 CD1 LEU A 126 23.130 18.474 -9.094 1.00 71.11 C ATOM 1974 CD2 LEU A 126 22.460 16.708 -7.401 1.00 32.31 C ATOM 0 H LEU A 126 19.115 20.099 -7.600 1.00 42.50 H new ATOM 0 HA LEU A 126 20.573 18.084 -6.177 1.00 42.11 H new ATOM 0 HB2 LEU A 126 19.888 17.711 -8.404 1.00 71.34 H new ATOM 0 HB3 LEU A 126 20.667 19.175 -8.971 1.00 71.34 H new ATOM 0 HG LEU A 126 21.775 16.868 -9.406 1.00 55.01 H new ATOM 0 HD11 LEU A 126 24.014 17.880 -9.326 1.00 71.11 H new ATOM 0 HD12 LEU A 126 22.797 18.996 -9.991 1.00 71.11 H new ATOM 0 HD13 LEU A 126 23.375 19.202 -8.321 1.00 71.11 H new ATOM 0 HD21 LEU A 126 23.357 16.149 -7.667 1.00 32.31 H new ATOM 0 HD22 LEU A 126 22.676 17.358 -6.553 1.00 32.31 H new ATOM 0 HD23 LEU A 126 21.665 16.012 -7.131 1.00 32.31 H new ATOM 1986 N ARG A 127 22.477 19.275 -5.265 1.00 71.12 N ATOM 1987 CA ARG A 127 23.687 19.883 -4.738 1.00 71.40 C ATOM 1988 C ARG A 127 24.900 19.001 -5.043 1.00 12.13 C ATOM 1989 O ARG A 127 24.792 18.025 -5.784 1.00 0.51 O ATOM 1990 CB ARG A 127 23.584 20.092 -3.226 1.00 3.10 C ATOM 1991 CG ARG A 127 23.574 21.582 -2.878 1.00 53.14 C ATOM 1992 CD ARG A 127 22.319 22.264 -3.427 1.00 52.20 C ATOM 1993 NE ARG A 127 21.218 22.165 -2.443 1.00 52.30 N ATOM 1994 CZ ARG A 127 21.225 22.769 -1.236 1.00 1.42 C ATOM 1995 NH1 ARG A 127 22.278 23.522 -0.853 1.00 2.33 N ATOM 1996 NH2 ARG A 127 20.187 22.613 -0.435 1.00 62.24 N ATOM 0 H ARG A 127 22.078 18.541 -4.679 1.00 71.12 H new ATOM 0 HA ARG A 127 23.808 20.853 -5.220 1.00 71.40 H new ATOM 0 HB2 ARG A 127 22.675 19.621 -2.851 1.00 3.10 H new ATOM 0 HB3 ARG A 127 24.423 19.605 -2.730 1.00 3.10 H new ATOM 0 HG2 ARG A 127 23.616 21.707 -1.796 1.00 53.14 H new ATOM 0 HG3 ARG A 127 24.462 22.061 -3.289 1.00 53.14 H new ATOM 0 HD2 ARG A 127 22.530 23.311 -3.645 1.00 52.20 H new ATOM 0 HD3 ARG A 127 22.022 21.796 -4.366 1.00 52.20 H new ATOM 0 HE ARG A 127 20.403 21.605 -2.693 1.00 52.30 H new ATOM 0 HH11 ARG A 127 23.076 23.638 -1.477 1.00 2.33 H new ATOM 0 HH12 ARG A 127 22.275 23.975 0.061 1.00 2.33 H new ATOM 0 HH21 ARG A 127 19.395 22.043 -0.732 1.00 62.24 H new ATOM 0 HH22 ARG A 127 20.177 23.063 0.480 1.00 62.24 H new ATOM 2009 N GLU A 128 26.027 19.376 -4.455 1.00 55.53 N ATOM 2010 CA GLU A 128 27.258 18.632 -4.655 1.00 4.23 C ATOM 2011 C GLU A 128 28.273 18.982 -3.564 1.00 14.31 C ATOM 2012 O GLU A 128 28.782 20.101 -3.521 1.00 41.01 O ATOM 2013 CB GLU A 128 27.838 18.894 -6.046 1.00 71.43 C ATOM 2014 CG GLU A 128 29.329 18.556 -6.092 1.00 24.34 C ATOM 2015 CD GLU A 128 29.798 18.334 -7.531 1.00 51.22 C ATOM 2016 OE1 GLU A 128 30.692 17.510 -7.772 1.00 64.12 O ATOM 2017 OE2 GLU A 128 29.197 19.054 -8.417 1.00 40.20 O ATOM 0 H GLU A 128 26.113 20.185 -3.840 1.00 55.53 H new ATOM 0 HA GLU A 128 27.031 17.568 -4.586 1.00 4.23 H new ATOM 0 HB2 GLU A 128 27.303 18.297 -6.785 1.00 71.43 H new ATOM 0 HB3 GLU A 128 27.690 19.940 -6.314 1.00 71.43 H new ATOM 0 HG2 GLU A 128 29.903 19.365 -5.640 1.00 24.34 H new ATOM 0 HG3 GLU A 128 29.521 17.660 -5.501 1.00 24.34 H new ATOM 2025 N LYS A 129 28.535 18.005 -2.709 1.00 24.20 N ATOM 2026 CA LYS A 129 29.480 18.196 -1.621 1.00 75.31 C ATOM 2027 C LYS A 129 30.640 19.068 -2.105 1.00 75.15 C ATOM 2028 O LYS A 129 31.570 18.573 -2.740 1.00 54.45 O ATOM 2029 CB LYS A 129 29.921 16.846 -1.052 1.00 31.12 C ATOM 2030 CG LYS A 129 28.748 16.120 -0.389 1.00 41.41 C ATOM 2031 CD LYS A 129 29.214 14.831 0.290 1.00 3.13 C ATOM 2032 CE LYS A 129 28.289 14.457 1.450 1.00 72.23 C ATOM 2033 NZ LYS A 129 28.767 15.064 2.712 1.00 65.13 N ATOM 0 H LYS A 129 28.110 17.079 -2.747 1.00 24.20 H new ATOM 0 HA LYS A 129 29.007 18.726 -0.794 1.00 75.31 H new ATOM 0 HB2 LYS A 129 30.332 16.228 -1.850 1.00 31.12 H new ATOM 0 HB3 LYS A 129 30.718 16.997 -0.324 1.00 31.12 H new ATOM 0 HG2 LYS A 129 28.280 16.774 0.347 1.00 41.41 H new ATOM 0 HG3 LYS A 129 27.990 15.888 -1.137 1.00 41.41 H new ATOM 0 HD2 LYS A 129 29.237 14.020 -0.438 1.00 3.13 H new ATOM 0 HD3 LYS A 129 30.232 14.957 0.658 1.00 3.13 H new ATOM 0 HE2 LYS A 129 27.275 14.796 1.238 1.00 72.23 H new ATOM 0 HE3 LYS A 129 28.247 13.373 1.554 1.00 72.23 H new ATOM 0 HZ1 LYS A 129 28.127 14.800 3.488 1.00 65.13 H new ATOM 0 HZ2 LYS A 129 29.726 14.720 2.921 1.00 65.13 H new ATOM 0 HZ3 LYS A 129 28.784 16.099 2.615 1.00 65.13 H new ATOM 2046 N PRO A 130 30.544 20.385 -1.779 1.00 20.43 N ATOM 2047 CA PRO A 130 31.574 21.330 -2.173 1.00 41.24 C ATOM 2048 C PRO A 130 32.826 21.171 -1.308 1.00 72.40 C ATOM 2049 O PRO A 130 33.005 20.145 -0.652 1.00 51.44 O ATOM 2050 CB PRO A 130 30.926 22.698 -2.034 1.00 44.25 C ATOM 2051 CG PRO A 130 29.721 22.499 -1.129 1.00 65.14 C ATOM 2052 CD PRO A 130 29.457 21.006 -1.028 1.00 30.44 C ATOM 0 HA PRO A 130 31.923 21.170 -3.193 1.00 41.24 H new ATOM 0 HB2 PRO A 130 31.622 23.418 -1.604 1.00 44.25 H new ATOM 0 HB3 PRO A 130 30.624 23.088 -3.006 1.00 44.25 H new ATOM 0 HG2 PRO A 130 29.911 22.921 -0.142 1.00 65.14 H new ATOM 0 HG3 PRO A 130 28.850 23.014 -1.534 1.00 65.14 H new ATOM 0 HD2 PRO A 130 29.453 20.674 0.010 1.00 30.44 H new ATOM 0 HD3 PRO A 130 28.486 20.746 -1.449 1.00 30.44 H new ATOM 2060 N GLN A 131 33.659 22.200 -1.334 1.00 64.01 N ATOM 2061 CA GLN A 131 34.889 22.187 -0.560 1.00 21.00 C ATOM 2062 C GLN A 131 34.605 21.758 0.881 1.00 53.40 C ATOM 2063 O GLN A 131 33.561 22.096 1.438 1.00 4.03 O ATOM 2064 CB GLN A 131 35.577 23.553 -0.600 1.00 53.11 C ATOM 2065 CG GLN A 131 37.056 23.433 -0.229 1.00 42.31 C ATOM 2066 CD GLN A 131 37.883 22.946 -1.421 1.00 54.11 C ATOM 2067 OE1 GLN A 131 37.577 21.949 -2.055 1.00 44.52 O ATOM 2068 NE2 GLN A 131 38.943 23.703 -1.690 1.00 21.45 N ATOM 0 H GLN A 131 33.507 23.049 -1.879 1.00 64.01 H new ATOM 0 HA GLN A 131 35.569 21.462 -1.007 1.00 21.00 H new ATOM 0 HB2 GLN A 131 35.482 23.983 -1.597 1.00 53.11 H new ATOM 0 HB3 GLN A 131 35.080 24.235 0.090 1.00 53.11 H new ATOM 0 HG2 GLN A 131 37.430 24.400 0.107 1.00 42.31 H new ATOM 0 HG3 GLN A 131 37.170 22.740 0.605 1.00 42.31 H new ATOM 0 HE21 GLN A 131 39.141 24.524 -1.119 1.00 21.45 H new ATOM 0 HE22 GLN A 131 39.558 23.462 -2.468 1.00 21.45 H new ATOM 2077 N THR A 132 35.551 21.021 1.443 1.00 20.10 N ATOM 2078 CA THR A 132 35.415 20.543 2.808 1.00 23.34 C ATOM 2079 C THR A 132 35.796 21.644 3.800 1.00 55.45 C ATOM 2080 O THR A 132 36.799 22.331 3.615 1.00 25.34 O ATOM 2081 CB THR A 132 36.262 19.277 2.952 1.00 24.24 C ATOM 2082 OG1 THR A 132 37.603 19.759 2.989 1.00 31.53 O ATOM 2083 CG2 THR A 132 36.217 18.397 1.702 1.00 61.52 C ATOM 0 H THR A 132 36.415 20.743 0.978 1.00 20.10 H new ATOM 0 HA THR A 132 34.380 20.288 3.036 1.00 23.34 H new ATOM 0 HB THR A 132 35.915 18.704 3.812 1.00 24.24 H new ATOM 0 HG1 THR A 132 38.220 19.003 3.083 1.00 31.53 H new ATOM 0 HG21 THR A 132 36.835 17.512 1.857 1.00 61.52 H new ATOM 0 HG22 THR A 132 35.189 18.092 1.508 1.00 61.52 H new ATOM 0 HG23 THR A 132 36.596 18.958 0.848 1.00 61.52 H new TER 2091 THR A 132