USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 791 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 64 ASN : amide:sc= 0.534 K(o=1.1,f=-3.7!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -147:sc= 0.554 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0605 (180deg=-0.636) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -52:sc= 0.75 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0501) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -151:sc= -0.184 (180deg=-0.872) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= 0.389 (180deg=-0.0994) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -4! C(o=-5.5!,f=-4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.056) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -179:sc= -4.75 (180deg=-4.78) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.8!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.545 -10.040 -0.299 1.00 34.04 N ATOM 2 CA MET A 1 3.466 -11.021 -0.280 1.00 71.30 C ATOM 3 C MET A 1 3.004 -11.348 -1.697 1.00 30.45 C ATOM 4 O MET A 1 2.609 -12.477 -1.985 1.00 72.42 O ATOM 5 CB MET A 1 2.288 -10.500 0.546 1.00 70.54 C ATOM 6 CG MET A 1 2.664 -10.121 1.969 1.00 40.34 C ATOM 7 SD MET A 1 3.232 -11.532 2.937 1.00 0.40 S ATOM 8 CE MET A 1 3.466 -10.769 4.541 1.00 72.31 C ATOM 0 H1 MET A 1 5.012 -10.020 0.630 1.00 34.04 H new ATOM 0 H2 MET A 1 5.238 -10.300 -1.029 1.00 34.04 H new ATOM 0 H3 MET A 1 4.155 -9.099 -0.511 1.00 34.04 H new ATOM 0 HA MET A 1 3.846 -11.934 0.179 1.00 71.30 H new ATOM 0 HB2 MET A 1 1.862 -9.629 0.047 1.00 70.54 H new ATOM 0 HB3 MET A 1 1.510 -11.263 0.575 1.00 70.54 H new ATOM 0 HG2 MET A 1 3.447 -9.364 1.944 1.00 40.34 H new ATOM 0 HG3 MET A 1 1.801 -9.671 2.461 1.00 40.34 H new ATOM 0 HE1 MET A 1 3.817 -11.517 5.252 1.00 72.31 H new ATOM 0 HE2 MET A 1 4.204 -9.971 4.460 1.00 72.31 H new ATOM 0 HE3 MET A 1 2.520 -10.355 4.888 1.00 72.31 H new ATOM 18 N ALA A 2 3.056 -10.353 -2.576 1.00 24.22 N ATOM 19 CA ALA A 2 2.645 -10.536 -3.962 1.00 70.31 C ATOM 20 C ALA A 2 3.787 -11.093 -4.805 1.00 4.01 C ATOM 21 O ALA A 2 4.912 -11.234 -4.328 1.00 5.05 O ATOM 22 CB ALA A 2 2.150 -9.220 -4.544 1.00 31.51 C ATOM 0 H ALA A 2 3.379 -9.412 -2.353 1.00 24.22 H new ATOM 0 HA ALA A 2 1.829 -11.259 -3.980 1.00 70.31 H new ATOM 0 HB1 ALA A 2 1.846 -9.372 -5.580 1.00 31.51 H new ATOM 0 HB2 ALA A 2 1.298 -8.863 -3.965 1.00 31.51 H new ATOM 0 HB3 ALA A 2 2.950 -8.481 -4.505 1.00 31.51 H new ATOM 28 N GLY A 3 3.490 -11.409 -6.062 1.00 3.21 N ATOM 29 CA GLY A 3 4.503 -11.947 -6.951 1.00 22.43 C ATOM 30 C GLY A 3 4.882 -13.373 -6.601 1.00 45.22 C ATOM 31 O GLY A 3 6.063 -13.721 -6.580 1.00 13.31 O ATOM 0 H GLY A 3 2.566 -11.302 -6.480 1.00 3.21 H new ATOM 0 HA2 GLY A 3 4.137 -11.913 -7.977 1.00 22.43 H new ATOM 0 HA3 GLY A 3 5.391 -11.317 -6.908 1.00 22.43 H new ATOM 35 N ALA A 4 3.879 -14.200 -6.325 1.00 4.42 N ATOM 36 CA ALA A 4 4.114 -15.595 -5.975 1.00 12.02 C ATOM 37 C ALA A 4 4.322 -16.446 -7.223 1.00 24.44 C ATOM 38 O ALA A 4 4.164 -15.968 -8.346 1.00 20.04 O ATOM 39 CB ALA A 4 2.953 -16.135 -5.153 1.00 31.21 C ATOM 0 H ALA A 4 2.896 -13.928 -6.337 1.00 4.42 H new ATOM 0 HA ALA A 4 5.024 -15.646 -5.377 1.00 12.02 H new ATOM 0 HB1 ALA A 4 3.142 -17.178 -4.898 1.00 31.21 H new ATOM 0 HB2 ALA A 4 2.852 -15.551 -4.238 1.00 31.21 H new ATOM 0 HB3 ALA A 4 2.033 -16.064 -5.733 1.00 31.21 H new ATOM 45 N SER A 5 4.679 -17.710 -7.018 1.00 63.31 N ATOM 46 CA SER A 5 4.914 -18.627 -8.127 1.00 62.32 C ATOM 47 C SER A 5 3.753 -19.606 -8.278 1.00 65.01 C ATOM 48 O SER A 5 3.958 -20.798 -8.508 1.00 21.11 O ATOM 49 CB SER A 5 6.220 -19.396 -7.914 1.00 14.14 C ATOM 50 OG SER A 5 7.270 -18.522 -7.538 1.00 21.24 O ATOM 0 H SER A 5 4.812 -18.122 -6.094 1.00 63.31 H new ATOM 0 HA SER A 5 4.992 -18.039 -9.041 1.00 62.32 H new ATOM 0 HB2 SER A 5 6.079 -20.153 -7.142 1.00 14.14 H new ATOM 0 HB3 SER A 5 6.490 -19.921 -8.830 1.00 14.14 H new ATOM 0 HG SER A 5 8.093 -19.037 -7.406 1.00 21.24 H new ATOM 56 N ASP A 6 2.535 -19.093 -8.147 1.00 60.30 N ATOM 57 CA ASP A 6 1.340 -19.920 -8.269 1.00 62.55 C ATOM 58 C ASP A 6 0.372 -19.329 -9.290 1.00 22.25 C ATOM 59 O ASP A 6 -0.235 -20.055 -10.077 1.00 62.11 O ATOM 60 CB ASP A 6 0.649 -20.059 -6.912 1.00 73.13 C ATOM 61 CG ASP A 6 -0.113 -21.363 -6.781 1.00 62.51 C ATOM 62 OD1 ASP A 6 -1.112 -21.543 -7.508 1.00 72.25 O ATOM 63 OD2 ASP A 6 0.291 -22.205 -5.952 1.00 1.13 O ATOM 0 H ASP A 6 2.349 -18.108 -7.956 1.00 60.30 H new ATOM 0 HA ASP A 6 1.645 -20.908 -8.614 1.00 62.55 H new ATOM 0 HB2 ASP A 6 1.395 -19.996 -6.120 1.00 73.13 H new ATOM 0 HB3 ASP A 6 -0.038 -19.224 -6.770 1.00 73.13 H new ATOM 68 N ARG A 7 0.233 -18.008 -9.268 1.00 55.33 N ATOM 69 CA ARG A 7 -0.663 -17.319 -10.190 1.00 35.34 C ATOM 70 C ARG A 7 0.025 -16.110 -10.816 1.00 61.42 C ATOM 71 O ARG A 7 1.146 -15.758 -10.446 1.00 35.45 O ATOM 72 CB ARG A 7 -1.934 -16.876 -9.463 1.00 14.11 C ATOM 73 CG ARG A 7 -2.670 -18.013 -8.773 1.00 23.22 C ATOM 74 CD ARG A 7 -3.559 -17.502 -7.650 1.00 50.33 C ATOM 75 NE ARG A 7 -4.527 -18.506 -7.218 1.00 72.12 N ATOM 76 CZ ARG A 7 -4.199 -19.599 -6.538 1.00 44.12 C ATOM 77 NH1 ARG A 7 -2.933 -19.827 -6.214 1.00 53.43 N ATOM 78 NH2 ARG A 7 -5.137 -20.466 -6.180 1.00 62.34 N ATOM 0 H ARG A 7 0.729 -17.393 -8.623 1.00 55.33 H new ATOM 0 HA ARG A 7 -0.931 -18.015 -10.985 1.00 35.34 H new ATOM 0 HB2 ARG A 7 -1.674 -16.121 -8.722 1.00 14.11 H new ATOM 0 HB3 ARG A 7 -2.605 -16.402 -10.179 1.00 14.11 H new ATOM 0 HG2 ARG A 7 -3.276 -18.551 -9.502 1.00 23.22 H new ATOM 0 HG3 ARG A 7 -1.948 -18.724 -8.372 1.00 23.22 H new ATOM 0 HD2 ARG A 7 -2.940 -17.208 -6.803 1.00 50.33 H new ATOM 0 HD3 ARG A 7 -4.087 -16.609 -7.984 1.00 50.33 H new ATOM 0 HE ARG A 7 -5.509 -18.360 -7.451 1.00 72.12 H new ATOM 0 HH11 ARG A 7 -2.209 -19.162 -6.487 1.00 53.43 H new ATOM 0 HH12 ARG A 7 -2.684 -20.667 -5.692 1.00 53.43 H new ATOM 0 HH21 ARG A 7 -6.112 -20.294 -6.427 1.00 62.34 H new ATOM 0 HH22 ARG A 7 -4.884 -21.305 -5.658 1.00 62.34 H new ATOM 92 N THR A 8 -0.653 -15.478 -11.769 1.00 44.41 N ATOM 93 CA THR A 8 -0.106 -14.310 -12.448 1.00 53.35 C ATOM 94 C THR A 8 -0.828 -13.037 -12.021 1.00 32.13 C ATOM 95 O THR A 8 -0.947 -12.089 -12.795 1.00 42.23 O ATOM 96 CB THR A 8 -0.205 -14.453 -13.979 1.00 53.30 C ATOM 97 OG1 THR A 8 0.493 -13.378 -14.618 1.00 12.14 O ATOM 98 CG2 THR A 8 -1.658 -14.459 -14.429 1.00 55.31 C ATOM 0 H THR A 8 -1.581 -15.755 -12.088 1.00 44.41 H new ATOM 0 HA THR A 8 0.944 -14.242 -12.163 1.00 53.35 H new ATOM 0 HB THR A 8 0.251 -15.401 -14.263 1.00 53.30 H new ATOM 0 HG1 THR A 8 0.176 -12.523 -14.259 1.00 12.14 H new ATOM 0 HG21 THR A 8 -1.703 -14.561 -15.513 1.00 55.31 H new ATOM 0 HG22 THR A 8 -2.179 -15.296 -13.964 1.00 55.31 H new ATOM 0 HG23 THR A 8 -2.135 -13.525 -14.132 1.00 55.31 H new ATOM 106 N GLY A 9 -1.309 -13.023 -10.781 1.00 40.10 N ATOM 107 CA GLY A 9 -2.013 -11.861 -10.272 1.00 0.43 C ATOM 108 C GLY A 9 -2.428 -12.023 -8.823 1.00 74.20 C ATOM 109 O GLY A 9 -3.521 -11.611 -8.433 1.00 21.02 O ATOM 0 H GLY A 9 -1.223 -13.796 -10.121 1.00 40.10 H new ATOM 0 HA2 GLY A 9 -1.375 -10.983 -10.368 1.00 0.43 H new ATOM 0 HA3 GLY A 9 -2.898 -11.680 -10.882 1.00 0.43 H new ATOM 113 N VAL A 10 -1.556 -12.628 -8.023 1.00 3.51 N ATOM 114 CA VAL A 10 -1.838 -12.845 -6.609 1.00 2.50 C ATOM 115 C VAL A 10 -2.234 -11.543 -5.921 1.00 42.35 C ATOM 116 O VAL A 10 -1.630 -10.496 -6.157 1.00 1.03 O ATOM 117 CB VAL A 10 -0.622 -13.448 -5.880 1.00 74.03 C ATOM 118 CG1 VAL A 10 -0.933 -13.658 -4.406 1.00 55.13 C ATOM 119 CG2 VAL A 10 -0.203 -14.755 -6.537 1.00 12.24 C ATOM 0 H VAL A 10 -0.648 -12.977 -8.330 1.00 3.51 H new ATOM 0 HA VAL A 10 -2.669 -13.548 -6.557 1.00 2.50 H new ATOM 0 HB VAL A 10 0.209 -12.747 -5.954 1.00 74.03 H new ATOM 0 HG11 VAL A 10 -0.062 -14.085 -3.908 1.00 55.13 H new ATOM 0 HG12 VAL A 10 -1.182 -12.701 -3.947 1.00 55.13 H new ATOM 0 HG13 VAL A 10 -1.778 -14.339 -4.306 1.00 55.13 H new ATOM 0 HG21 VAL A 10 0.657 -15.168 -6.010 1.00 12.24 H new ATOM 0 HG22 VAL A 10 -1.029 -15.465 -6.495 1.00 12.24 H new ATOM 0 HG23 VAL A 10 0.064 -14.570 -7.578 1.00 12.24 H new ATOM 129 N ARG A 11 -3.252 -11.615 -5.070 1.00 61.34 N ATOM 130 CA ARG A 11 -3.729 -10.442 -4.349 1.00 35.15 C ATOM 131 C ARG A 11 -2.701 -9.981 -3.320 1.00 12.12 C ATOM 132 O ARG A 11 -1.992 -10.795 -2.728 1.00 70.04 O ATOM 133 CB ARG A 11 -5.058 -10.749 -3.655 1.00 61.40 C ATOM 134 CG ARG A 11 -6.276 -10.450 -4.513 1.00 74.30 C ATOM 135 CD ARG A 11 -6.542 -8.956 -4.601 1.00 14.40 C ATOM 136 NE ARG A 11 -7.602 -8.644 -5.557 1.00 3.54 N ATOM 137 CZ ARG A 11 -8.896 -8.780 -5.290 1.00 2.22 C ATOM 138 NH1 ARG A 11 -9.288 -9.220 -4.102 1.00 55.13 N ATOM 139 NH2 ARG A 11 -9.800 -8.475 -6.212 1.00 33.14 N ATOM 0 H ARG A 11 -3.762 -12.474 -4.863 1.00 61.34 H new ATOM 0 HA ARG A 11 -3.880 -9.640 -5.071 1.00 35.15 H new ATOM 0 HB2 ARG A 11 -5.075 -11.801 -3.369 1.00 61.40 H new ATOM 0 HB3 ARG A 11 -5.121 -10.168 -2.735 1.00 61.40 H new ATOM 0 HG2 ARG A 11 -6.125 -10.853 -5.514 1.00 74.30 H new ATOM 0 HG3 ARG A 11 -7.149 -10.952 -4.095 1.00 74.30 H new ATOM 0 HD2 ARG A 11 -6.819 -8.579 -3.617 1.00 14.40 H new ATOM 0 HD3 ARG A 11 -5.627 -8.441 -4.894 1.00 14.40 H new ATOM 0 HE ARG A 11 -7.334 -8.303 -6.480 1.00 3.54 H new ATOM 0 HH11 ARG A 11 -8.595 -9.455 -3.391 1.00 55.13 H new ATOM 0 HH12 ARG A 11 -10.282 -9.324 -3.899 1.00 55.13 H new ATOM 0 HH21 ARG A 11 -9.501 -8.136 -7.126 1.00 33.14 H new ATOM 0 HH22 ARG A 11 -10.794 -8.580 -6.006 1.00 33.14 H new ATOM 153 N ARG A 12 -2.626 -8.670 -3.112 1.00 70.35 N ATOM 154 CA ARG A 12 -1.684 -8.101 -2.157 1.00 44.20 C ATOM 155 C ARG A 12 -2.240 -6.820 -1.543 1.00 2.45 C ATOM 156 O ARG A 12 -3.132 -6.174 -2.093 1.00 62.14 O ATOM 157 CB ARG A 12 -0.345 -7.813 -2.839 1.00 2.42 C ATOM 158 CG ARG A 12 -0.483 -7.327 -4.272 1.00 54.42 C ATOM 159 CD ARG A 12 -1.240 -6.009 -4.343 1.00 64.22 C ATOM 160 NE ARG A 12 -0.807 -5.190 -5.472 1.00 72.02 N ATOM 161 CZ ARG A 12 -1.060 -5.494 -6.740 1.00 63.44 C ATOM 162 NH1 ARG A 12 -1.739 -6.593 -7.039 1.00 61.13 N ATOM 163 NH2 ARG A 12 -0.633 -4.699 -7.713 1.00 0.44 N ATOM 0 H ARG A 12 -3.207 -7.983 -3.592 1.00 70.35 H new ATOM 0 HA ARG A 12 -1.529 -8.828 -1.360 1.00 44.20 H new ATOM 0 HB2 ARG A 12 0.194 -7.063 -2.260 1.00 2.42 H new ATOM 0 HB3 ARG A 12 0.261 -8.719 -2.828 1.00 2.42 H new ATOM 0 HG2 ARG A 12 0.506 -7.204 -4.712 1.00 54.42 H new ATOM 0 HG3 ARG A 12 -1.004 -8.079 -4.864 1.00 54.42 H new ATOM 0 HD2 ARG A 12 -2.308 -6.208 -4.428 1.00 64.22 H new ATOM 0 HD3 ARG A 12 -1.092 -5.456 -3.416 1.00 64.22 H new ATOM 0 HE ARG A 12 -0.282 -4.338 -5.276 1.00 72.02 H new ATOM 0 HH11 ARG A 12 -2.068 -7.207 -6.294 1.00 61.13 H new ATOM 0 HH12 ARG A 12 -1.932 -6.824 -8.014 1.00 61.13 H new ATOM 0 HH21 ARG A 12 -0.110 -3.853 -7.488 1.00 0.44 H new ATOM 0 HH22 ARG A 12 -0.828 -4.934 -8.686 1.00 0.44 H new ATOM 177 N PRO A 13 -1.702 -6.442 -0.373 1.00 50.12 N ATOM 178 CA PRO A 13 -2.129 -5.235 0.342 1.00 72.45 C ATOM 179 C PRO A 13 -1.710 -3.957 -0.376 1.00 65.23 C ATOM 180 O PRO A 13 -2.173 -2.866 -0.044 1.00 35.43 O ATOM 181 CB PRO A 13 -1.415 -5.350 1.690 1.00 25.53 C ATOM 182 CG PRO A 13 -0.220 -6.196 1.415 1.00 65.32 C ATOM 183 CD PRO A 13 -0.635 -7.163 0.341 1.00 72.21 C ATOM 0 HA PRO A 13 -3.214 -5.172 0.423 1.00 72.45 H new ATOM 0 HB2 PRO A 13 -1.127 -4.370 2.070 1.00 25.53 H new ATOM 0 HB3 PRO A 13 -2.059 -5.807 2.441 1.00 25.53 H new ATOM 0 HG2 PRO A 13 0.622 -5.587 1.087 1.00 65.32 H new ATOM 0 HG3 PRO A 13 0.099 -6.724 2.313 1.00 65.32 H new ATOM 0 HD2 PRO A 13 0.196 -7.410 -0.320 1.00 72.21 H new ATOM 0 HD3 PRO A 13 -0.996 -8.101 0.763 1.00 72.21 H new ATOM 191 N ARG A 14 -0.830 -4.099 -1.362 1.00 62.33 N ATOM 192 CA ARG A 14 -0.347 -2.955 -2.127 1.00 34.34 C ATOM 193 C ARG A 14 -1.157 -2.777 -3.408 1.00 22.03 C ATOM 194 O ARG A 14 -0.689 -2.171 -4.372 1.00 24.12 O ATOM 195 CB ARG A 14 1.134 -3.130 -2.467 1.00 32.14 C ATOM 196 CG ARG A 14 2.054 -3.003 -1.264 1.00 1.14 C ATOM 197 CD ARG A 14 3.448 -2.554 -1.673 1.00 52.44 C ATOM 198 NE ARG A 14 4.375 -2.550 -0.545 1.00 44.44 N ATOM 199 CZ ARG A 14 5.681 -2.337 -0.668 1.00 71.11 C ATOM 200 NH1 ARG A 14 6.210 -2.112 -1.863 1.00 32.11 N ATOM 201 NH2 ARG A 14 6.460 -2.349 0.406 1.00 41.12 N ATOM 0 H ARG A 14 -0.437 -4.995 -1.650 1.00 62.33 H new ATOM 0 HA ARG A 14 -0.468 -2.062 -1.514 1.00 34.34 H new ATOM 0 HB2 ARG A 14 1.280 -4.109 -2.924 1.00 32.14 H new ATOM 0 HB3 ARG A 14 1.418 -2.386 -3.211 1.00 32.14 H new ATOM 0 HG2 ARG A 14 1.633 -2.288 -0.557 1.00 1.14 H new ATOM 0 HG3 ARG A 14 2.116 -3.962 -0.749 1.00 1.14 H new ATOM 0 HD2 ARG A 14 3.828 -3.215 -2.452 1.00 52.44 H new ATOM 0 HD3 ARG A 14 3.395 -1.553 -2.102 1.00 52.44 H new ATOM 0 HE ARG A 14 4.000 -2.720 0.388 1.00 44.44 H new ATOM 0 HH11 ARG A 14 5.614 -2.102 -2.691 1.00 32.11 H new ATOM 0 HH12 ARG A 14 7.213 -1.949 -1.954 1.00 32.11 H new ATOM 0 HH21 ARG A 14 6.057 -2.522 1.327 1.00 41.12 H new ATOM 0 HH22 ARG A 14 7.462 -2.185 0.311 1.00 41.12 H new ATOM 215 N LYS A 15 -2.374 -3.309 -3.411 1.00 72.41 N ATOM 216 CA LYS A 15 -3.250 -3.209 -4.572 1.00 73.44 C ATOM 217 C LYS A 15 -3.424 -1.755 -4.999 1.00 61.33 C ATOM 218 O LYS A 15 -3.294 -0.840 -4.187 1.00 20.43 O ATOM 219 CB LYS A 15 -4.615 -3.827 -4.262 1.00 34.32 C ATOM 220 CG LYS A 15 -5.347 -4.337 -5.492 1.00 3.52 C ATOM 221 CD LYS A 15 -4.618 -5.508 -6.129 1.00 44.51 C ATOM 222 CE LYS A 15 -5.588 -6.475 -6.789 1.00 65.35 C ATOM 223 NZ LYS A 15 -5.900 -6.078 -8.190 1.00 53.31 N ATOM 0 H LYS A 15 -2.777 -3.814 -2.622 1.00 72.41 H new ATOM 0 HA LYS A 15 -2.788 -3.758 -5.393 1.00 73.44 H new ATOM 0 HB2 LYS A 15 -4.480 -4.652 -3.562 1.00 34.32 H new ATOM 0 HB3 LYS A 15 -5.236 -3.083 -3.763 1.00 34.32 H new ATOM 0 HG2 LYS A 15 -6.356 -4.642 -5.215 1.00 3.52 H new ATOM 0 HG3 LYS A 15 -5.446 -3.530 -6.218 1.00 3.52 H new ATOM 0 HD2 LYS A 15 -3.910 -5.138 -6.871 1.00 44.51 H new ATOM 0 HD3 LYS A 15 -4.038 -6.034 -5.370 1.00 44.51 H new ATOM 0 HE2 LYS A 15 -5.162 -7.478 -6.782 1.00 65.35 H new ATOM 0 HE3 LYS A 15 -6.510 -6.517 -6.209 1.00 65.35 H new ATOM 0 HZ1 LYS A 15 -6.564 -6.762 -8.605 1.00 53.31 H new ATOM 0 HZ2 LYS A 15 -6.330 -5.131 -8.195 1.00 53.31 H new ATOM 0 HZ3 LYS A 15 -5.024 -6.063 -8.750 1.00 53.31 H new ATOM 237 N ALA A 16 -3.720 -1.550 -6.279 1.00 24.34 N ATOM 238 CA ALA A 16 -3.915 -0.208 -6.812 1.00 4.21 C ATOM 239 C ALA A 16 -5.217 0.401 -6.304 1.00 73.21 C ATOM 240 O ALA A 16 -5.360 1.622 -6.237 1.00 22.11 O ATOM 241 CB ALA A 16 -3.901 -0.237 -8.333 1.00 73.11 C ATOM 0 H ALA A 16 -3.830 -2.297 -6.965 1.00 24.34 H new ATOM 0 HA ALA A 16 -3.093 0.417 -6.464 1.00 4.21 H new ATOM 0 HB1 ALA A 16 -4.048 0.772 -8.718 1.00 73.11 H new ATOM 0 HB2 ALA A 16 -2.942 -0.622 -8.681 1.00 73.11 H new ATOM 0 HB3 ALA A 16 -4.703 -0.882 -8.692 1.00 73.11 H new ATOM 247 N LYS A 17 -6.167 -0.458 -5.948 1.00 3.11 N ATOM 248 CA LYS A 17 -7.459 -0.006 -5.445 1.00 44.32 C ATOM 249 C LYS A 17 -7.461 0.048 -3.921 1.00 22.12 C ATOM 250 O LYS A 17 -8.447 -0.313 -3.278 1.00 24.42 O ATOM 251 CB LYS A 17 -8.573 -0.934 -5.935 1.00 44.41 C ATOM 252 CG LYS A 17 -8.710 -0.973 -7.447 1.00 71.42 C ATOM 253 CD LYS A 17 -9.516 0.206 -7.965 1.00 73.21 C ATOM 254 CE LYS A 17 -10.998 0.044 -7.663 1.00 32.41 C ATOM 255 NZ LYS A 17 -11.788 1.225 -8.109 1.00 62.53 N ATOM 0 H LYS A 17 -6.066 -1.472 -5.999 1.00 3.11 H new ATOM 0 HA LYS A 17 -7.638 0.999 -5.826 1.00 44.32 H new ATOM 0 HB2 LYS A 17 -8.381 -1.943 -5.570 1.00 44.41 H new ATOM 0 HB3 LYS A 17 -9.520 -0.612 -5.501 1.00 44.41 H new ATOM 0 HG2 LYS A 17 -7.720 -0.966 -7.903 1.00 71.42 H new ATOM 0 HG3 LYS A 17 -9.192 -1.904 -7.746 1.00 71.42 H new ATOM 0 HD2 LYS A 17 -9.149 1.126 -7.510 1.00 73.21 H new ATOM 0 HD3 LYS A 17 -9.371 0.302 -9.041 1.00 73.21 H new ATOM 0 HE2 LYS A 17 -11.373 -0.852 -8.158 1.00 32.41 H new ATOM 0 HE3 LYS A 17 -11.136 -0.102 -6.592 1.00 32.41 H new ATOM 0 HZ1 LYS A 17 -12.793 1.075 -7.885 1.00 62.53 H new ATOM 0 HZ2 LYS A 17 -11.447 2.076 -7.618 1.00 62.53 H new ATOM 0 HZ3 LYS A 17 -11.677 1.349 -9.136 1.00 62.53 H new ATOM 269 N LYS A 18 -6.351 0.502 -3.348 1.00 15.32 N ATOM 270 CA LYS A 18 -6.226 0.606 -1.899 1.00 4.51 C ATOM 271 C LYS A 18 -7.401 1.375 -1.304 1.00 53.34 C ATOM 272 O LYS A 18 -7.478 2.598 -1.421 1.00 41.52 O ATOM 273 CB LYS A 18 -4.911 1.297 -1.529 1.00 12.52 C ATOM 274 CG LYS A 18 -3.794 0.331 -1.176 1.00 71.31 C ATOM 275 CD LYS A 18 -2.840 0.929 -0.156 1.00 51.20 C ATOM 276 CE LYS A 18 -1.437 0.362 -0.305 1.00 62.13 C ATOM 277 NZ LYS A 18 -0.440 1.130 0.492 1.00 74.14 N ATOM 0 H LYS A 18 -5.525 0.804 -3.865 1.00 15.32 H new ATOM 0 HA LYS A 18 -6.229 -0.403 -1.486 1.00 4.51 H new ATOM 0 HB2 LYS A 18 -4.591 1.920 -2.364 1.00 12.52 H new ATOM 0 HB3 LYS A 18 -5.085 1.962 -0.683 1.00 12.52 H new ATOM 0 HG2 LYS A 18 -4.221 -0.590 -0.780 1.00 71.31 H new ATOM 0 HG3 LYS A 18 -3.243 0.065 -2.078 1.00 71.31 H new ATOM 0 HD2 LYS A 18 -2.810 2.012 -0.275 1.00 51.20 H new ATOM 0 HD3 LYS A 18 -3.209 0.729 0.850 1.00 51.20 H new ATOM 0 HE2 LYS A 18 -1.431 -0.680 0.013 1.00 62.13 H new ATOM 0 HE3 LYS A 18 -1.150 0.376 -1.356 1.00 62.13 H new ATOM 0 HZ1 LYS A 18 0.504 0.712 0.363 1.00 74.14 H new ATOM 0 HZ2 LYS A 18 -0.427 2.119 0.171 1.00 74.14 H new ATOM 0 HZ3 LYS A 18 -0.700 1.096 1.499 1.00 74.14 H new ATOM 291 N ASP A 19 -8.314 0.651 -0.666 1.00 62.03 N ATOM 292 CA ASP A 19 -9.485 1.266 -0.051 1.00 65.41 C ATOM 293 C ASP A 19 -9.075 2.403 0.879 1.00 13.22 C ATOM 294 O ASP A 19 -7.962 2.439 1.403 1.00 2.32 O ATOM 295 CB ASP A 19 -10.288 0.220 0.724 1.00 2.11 C ATOM 296 CG ASP A 19 -11.085 -0.691 -0.188 1.00 63.35 C ATOM 297 OD1 ASP A 19 -10.469 -1.548 -0.856 1.00 25.13 O ATOM 298 OD2 ASP A 19 -12.324 -0.547 -0.236 1.00 75.11 O ATOM 0 H ASP A 19 -8.266 -0.362 -0.561 1.00 62.03 H new ATOM 0 HA ASP A 19 -10.109 1.677 -0.844 1.00 65.41 H new ATOM 0 HB2 ASP A 19 -9.608 -0.381 1.329 1.00 2.11 H new ATOM 0 HB3 ASP A 19 -10.966 0.724 1.412 1.00 2.11 H new ATOM 303 N PRO A 20 -9.996 3.356 1.090 1.00 45.14 N ATOM 304 CA PRO A 20 -9.753 4.513 1.957 1.00 71.03 C ATOM 305 C PRO A 20 -9.674 4.127 3.430 1.00 61.13 C ATOM 306 O PRO A 20 -8.847 4.651 4.174 1.00 24.44 O ATOM 307 CB PRO A 20 -10.969 5.407 1.703 1.00 52.30 C ATOM 308 CG PRO A 20 -12.040 4.473 1.256 1.00 31.14 C ATOM 309 CD PRO A 20 -11.344 3.377 0.498 1.00 43.23 C ATOM 0 HA PRO A 20 -8.800 4.994 1.738 1.00 71.03 H new ATOM 0 HB2 PRO A 20 -11.262 5.942 2.606 1.00 52.30 H new ATOM 0 HB3 PRO A 20 -10.756 6.158 0.942 1.00 52.30 H new ATOM 0 HG2 PRO A 20 -12.588 4.071 2.108 1.00 31.14 H new ATOM 0 HG3 PRO A 20 -12.765 4.985 0.624 1.00 31.14 H new ATOM 0 HD2 PRO A 20 -11.851 2.420 0.619 1.00 43.23 H new ATOM 0 HD3 PRO A 20 -11.310 3.587 -0.571 1.00 43.23 H new ATOM 317 N ASN A 21 -10.540 3.207 3.843 1.00 4.00 N ATOM 318 CA ASN A 21 -10.567 2.751 5.228 1.00 31.10 C ATOM 319 C ASN A 21 -10.669 3.932 6.188 1.00 43.41 C ATOM 320 O ASN A 21 -10.184 3.871 7.317 1.00 1.03 O ATOM 321 CB ASN A 21 -9.314 1.931 5.542 1.00 70.13 C ATOM 322 CG ASN A 21 -9.030 0.882 4.484 1.00 21.21 C ATOM 323 OD1 ASN A 21 -7.894 0.731 4.033 1.00 34.41 O ATOM 324 ND2 ASN A 21 -10.064 0.151 4.083 1.00 3.11 N ATOM 0 H ASN A 21 -11.232 2.763 3.239 1.00 4.00 H new ATOM 0 HA ASN A 21 -11.447 2.122 5.359 1.00 31.10 H new ATOM 0 HB2 ASN A 21 -8.457 2.599 5.626 1.00 70.13 H new ATOM 0 HB3 ASN A 21 -9.435 1.444 6.510 1.00 70.13 H new ATOM 0 HD21 ASN A 21 -9.934 -0.570 3.374 1.00 3.11 H new ATOM 0 HD22 ASN A 21 -10.988 0.311 4.485 1.00 3.11 H new ATOM 331 N ALA A 22 -11.303 5.007 5.730 1.00 21.21 N ATOM 332 CA ALA A 22 -11.471 6.201 6.548 1.00 2.34 C ATOM 333 C ALA A 22 -12.690 6.078 7.455 1.00 15.54 C ATOM 334 O ALA A 22 -13.589 5.270 7.221 1.00 12.14 O ATOM 335 CB ALA A 22 -11.590 7.434 5.665 1.00 42.14 C ATOM 0 H ALA A 22 -11.709 5.075 4.797 1.00 21.21 H new ATOM 0 HA ALA A 22 -10.589 6.305 7.180 1.00 2.34 H new ATOM 0 HB1 ALA A 22 -11.715 8.318 6.290 1.00 42.14 H new ATOM 0 HB2 ALA A 22 -10.687 7.539 5.064 1.00 42.14 H new ATOM 0 HB3 ALA A 22 -12.453 7.329 5.008 1.00 42.14 H new ATOM 341 N PRO A 23 -12.725 6.898 8.517 1.00 43.04 N ATOM 342 CA PRO A 23 -13.829 6.900 9.480 1.00 33.53 C ATOM 343 C PRO A 23 -15.117 7.457 8.885 1.00 55.33 C ATOM 344 O PRO A 23 -15.134 8.559 8.335 1.00 63.22 O ATOM 345 CB PRO A 23 -13.321 7.809 10.601 1.00 3.34 C ATOM 346 CG PRO A 23 -12.331 8.706 9.942 1.00 41.23 C ATOM 347 CD PRO A 23 -11.688 7.887 8.857 1.00 21.32 C ATOM 0 HA PRO A 23 -14.082 5.893 9.811 1.00 33.53 H new ATOM 0 HB2 PRO A 23 -14.135 8.379 11.048 1.00 3.34 H new ATOM 0 HB3 PRO A 23 -12.860 7.230 11.401 1.00 3.34 H new ATOM 0 HG2 PRO A 23 -12.819 9.588 9.528 1.00 41.23 H new ATOM 0 HG3 PRO A 23 -11.588 9.059 10.657 1.00 41.23 H new ATOM 0 HD2 PRO A 23 -11.419 8.500 7.996 1.00 21.32 H new ATOM 0 HD3 PRO A 23 -10.773 7.407 9.204 1.00 21.32 H new ATOM 355 N LYS A 24 -16.197 6.691 8.998 1.00 63.52 N ATOM 356 CA LYS A 24 -17.491 7.108 8.472 1.00 10.13 C ATOM 357 C LYS A 24 -18.469 7.401 9.605 1.00 14.12 C ATOM 358 O LYS A 24 -19.685 7.338 9.420 1.00 41.50 O ATOM 359 CB LYS A 24 -18.065 6.026 7.555 1.00 35.12 C ATOM 360 CG LYS A 24 -17.579 6.124 6.120 1.00 62.12 C ATOM 361 CD LYS A 24 -16.197 5.513 5.956 1.00 12.14 C ATOM 362 CE LYS A 24 -15.926 5.127 4.511 1.00 61.15 C ATOM 363 NZ LYS A 24 -16.057 6.291 3.591 1.00 11.24 N ATOM 0 H LYS A 24 -16.201 5.777 9.450 1.00 63.52 H new ATOM 0 HA LYS A 24 -17.344 8.022 7.897 1.00 10.13 H new ATOM 0 HB2 LYS A 24 -17.800 5.046 7.953 1.00 35.12 H new ATOM 0 HB3 LYS A 24 -19.153 6.092 7.566 1.00 35.12 H new ATOM 0 HG2 LYS A 24 -18.283 5.616 5.461 1.00 62.12 H new ATOM 0 HG3 LYS A 24 -17.554 7.170 5.814 1.00 62.12 H new ATOM 0 HD2 LYS A 24 -15.442 6.224 6.292 1.00 12.14 H new ATOM 0 HD3 LYS A 24 -16.110 4.632 6.591 1.00 12.14 H new ATOM 0 HE2 LYS A 24 -14.922 4.710 4.429 1.00 61.15 H new ATOM 0 HE3 LYS A 24 -16.622 4.345 4.208 1.00 61.15 H new ATOM 0 HZ1 LYS A 24 -15.703 6.030 2.649 1.00 11.24 H new ATOM 0 HZ2 LYS A 24 -17.057 6.567 3.521 1.00 11.24 H new ATOM 0 HZ3 LYS A 24 -15.503 7.090 3.960 1.00 11.24 H new ATOM 377 N ARG A 25 -17.931 7.722 10.777 1.00 15.33 N ATOM 378 CA ARG A 25 -18.758 8.025 11.940 1.00 44.33 C ATOM 379 C ARG A 25 -19.121 9.507 11.977 1.00 74.21 C ATOM 380 O ARG A 25 -18.508 10.324 11.291 1.00 11.01 O ATOM 381 CB ARG A 25 -18.027 7.636 13.226 1.00 14.24 C ATOM 382 CG ARG A 25 -18.897 6.876 14.214 1.00 12.13 C ATOM 383 CD ARG A 25 -19.243 7.730 15.424 1.00 51.31 C ATOM 384 NE ARG A 25 -18.091 7.932 16.299 1.00 54.01 N ATOM 385 CZ ARG A 25 -17.645 7.014 17.149 1.00 3.42 C ATOM 386 NH1 ARG A 25 -18.250 5.838 17.238 1.00 23.12 N ATOM 387 NH2 ARG A 25 -16.590 7.273 17.912 1.00 34.54 N ATOM 0 H ARG A 25 -16.927 7.779 10.947 1.00 15.33 H new ATOM 0 HA ARG A 25 -19.678 7.445 11.863 1.00 44.33 H new ATOM 0 HB2 ARG A 25 -17.162 7.024 12.971 1.00 14.24 H new ATOM 0 HB3 ARG A 25 -17.649 8.538 13.707 1.00 14.24 H new ATOM 0 HG2 ARG A 25 -19.814 6.554 13.720 1.00 12.13 H new ATOM 0 HG3 ARG A 25 -18.377 5.975 14.540 1.00 12.13 H new ATOM 0 HD2 ARG A 25 -19.618 8.697 15.090 1.00 51.31 H new ATOM 0 HD3 ARG A 25 -20.046 7.254 15.986 1.00 51.31 H new ATOM 0 HE ARG A 25 -17.603 8.826 16.255 1.00 54.01 H new ATOM 0 HH11 ARG A 25 -19.061 5.636 16.653 1.00 23.12 H new ATOM 0 HH12 ARG A 25 -17.905 5.135 17.892 1.00 23.12 H new ATOM 0 HH21 ARG A 25 -16.122 8.177 17.845 1.00 34.54 H new ATOM 0 HH22 ARG A 25 -16.247 6.568 18.565 1.00 34.54 H new ATOM 401 N ALA A 26 -20.123 9.845 12.782 1.00 74.31 N ATOM 402 CA ALA A 26 -20.568 11.227 12.910 1.00 61.05 C ATOM 403 C ALA A 26 -19.938 11.896 14.127 1.00 74.22 C ATOM 404 O ALA A 26 -19.433 11.223 15.026 1.00 61.40 O ATOM 405 CB ALA A 26 -22.086 11.287 12.998 1.00 43.43 C ATOM 0 H ALA A 26 -20.642 9.180 13.356 1.00 74.31 H new ATOM 0 HA ALA A 26 -20.245 11.770 12.022 1.00 61.05 H new ATOM 0 HB1 ALA A 26 -22.404 12.325 13.093 1.00 43.43 H new ATOM 0 HB2 ALA A 26 -22.520 10.856 12.096 1.00 43.43 H new ATOM 0 HB3 ALA A 26 -22.423 10.723 13.868 1.00 43.43 H new ATOM 411 N LEU A 27 -19.971 13.224 14.149 1.00 35.45 N ATOM 412 CA LEU A 27 -19.403 13.984 15.257 1.00 52.30 C ATOM 413 C LEU A 27 -20.133 13.676 16.561 1.00 64.44 C ATOM 414 O LEU A 27 -21.360 13.740 16.627 1.00 10.31 O ATOM 415 CB LEU A 27 -19.475 15.484 14.962 1.00 71.52 C ATOM 416 CG LEU A 27 -18.275 16.081 14.227 1.00 4.32 C ATOM 417 CD1 LEU A 27 -17.833 15.168 13.095 1.00 63.43 C ATOM 418 CD2 LEU A 27 -18.610 17.467 13.697 1.00 52.55 C ATOM 0 H LEU A 27 -20.385 13.796 13.413 1.00 35.45 H new ATOM 0 HA LEU A 27 -18.359 13.690 15.368 1.00 52.30 H new ATOM 0 HB2 LEU A 27 -20.370 15.675 14.370 1.00 71.52 H new ATOM 0 HB3 LEU A 27 -19.598 16.014 15.906 1.00 71.52 H new ATOM 0 HG LEU A 27 -17.450 16.173 14.934 1.00 4.32 H new ATOM 0 HD11 LEU A 27 -16.978 15.610 12.584 1.00 63.43 H new ATOM 0 HD12 LEU A 27 -17.551 14.196 13.500 1.00 63.43 H new ATOM 0 HD13 LEU A 27 -18.653 15.042 12.388 1.00 63.43 H new ATOM 0 HD21 LEU A 27 -17.744 17.877 13.177 1.00 52.55 H new ATOM 0 HD22 LEU A 27 -19.450 17.399 13.006 1.00 52.55 H new ATOM 0 HD23 LEU A 27 -18.876 18.120 14.528 1.00 52.55 H new ATOM 430 N SER A 28 -19.368 13.342 17.596 1.00 73.24 N ATOM 431 CA SER A 28 -19.942 13.022 18.897 1.00 21.45 C ATOM 432 C SER A 28 -20.894 14.121 19.357 1.00 53.42 C ATOM 433 O SER A 28 -20.902 15.222 18.805 1.00 73.53 O ATOM 434 CB SER A 28 -18.833 12.827 19.933 1.00 63.50 C ATOM 435 OG SER A 28 -18.609 11.451 20.187 1.00 22.53 O ATOM 0 H SER A 28 -18.350 13.286 17.558 1.00 73.24 H new ATOM 0 HA SER A 28 -20.506 12.095 18.799 1.00 21.45 H new ATOM 0 HB2 SER A 28 -17.912 13.289 19.576 1.00 63.50 H new ATOM 0 HB3 SER A 28 -19.104 13.332 20.860 1.00 63.50 H new ATOM 0 HG SER A 28 -17.895 11.353 20.851 1.00 22.53 H new ATOM 441 N SER A 29 -21.696 13.815 20.372 1.00 54.14 N ATOM 442 CA SER A 29 -22.656 14.775 20.904 1.00 52.11 C ATOM 443 C SER A 29 -21.950 15.856 21.717 1.00 22.30 C ATOM 444 O SER A 29 -21.945 17.028 21.341 1.00 62.05 O ATOM 445 CB SER A 29 -23.693 14.062 21.774 1.00 13.40 C ATOM 446 OG SER A 29 -24.228 14.939 22.751 1.00 74.42 O ATOM 0 H SER A 29 -21.700 12.910 20.842 1.00 54.14 H new ATOM 0 HA SER A 29 -23.162 15.250 20.063 1.00 52.11 H new ATOM 0 HB2 SER A 29 -24.497 13.678 21.146 1.00 13.40 H new ATOM 0 HB3 SER A 29 -23.233 13.204 22.264 1.00 13.40 H new ATOM 0 HG SER A 29 -24.889 14.460 23.293 1.00 74.42 H new ATOM 452 N TYR A 30 -21.354 15.452 22.834 1.00 54.22 N ATOM 453 CA TYR A 30 -20.647 16.385 23.703 1.00 43.15 C ATOM 454 C TYR A 30 -19.228 16.631 23.197 1.00 14.31 C ATOM 455 O TYR A 30 -18.673 17.714 23.377 1.00 3.42 O ATOM 456 CB TYR A 30 -20.604 15.849 25.134 1.00 21.14 C ATOM 457 CG TYR A 30 -20.488 16.932 26.183 1.00 22.23 C ATOM 458 CD1 TYR A 30 -19.253 17.478 26.512 1.00 51.33 C ATOM 459 CD2 TYR A 30 -21.612 17.408 26.846 1.00 20.35 C ATOM 460 CE1 TYR A 30 -19.142 18.467 27.470 1.00 41.41 C ATOM 461 CE2 TYR A 30 -21.510 18.397 27.805 1.00 54.42 C ATOM 462 CZ TYR A 30 -20.273 18.924 28.113 1.00 34.11 C ATOM 463 OH TYR A 30 -20.168 19.909 29.068 1.00 21.12 O ATOM 0 H TYR A 30 -21.347 14.485 23.158 1.00 54.22 H new ATOM 0 HA TYR A 30 -21.187 17.332 23.693 1.00 43.15 H new ATOM 0 HB2 TYR A 30 -21.506 15.267 25.322 1.00 21.14 H new ATOM 0 HB3 TYR A 30 -19.759 15.167 25.233 1.00 21.14 H new ATOM 0 HD1 TYR A 30 -18.365 17.123 26.010 1.00 51.33 H new ATOM 0 HD2 TYR A 30 -22.582 16.998 26.608 1.00 20.35 H new ATOM 0 HE1 TYR A 30 -18.174 18.880 27.714 1.00 41.41 H new ATOM 0 HE2 TYR A 30 -22.394 18.756 28.311 1.00 54.42 H new ATOM 0 HH TYR A 30 -21.058 20.117 29.423 1.00 21.12 H new ATOM 473 N MET A 31 -18.649 15.617 22.563 1.00 50.22 N ATOM 474 CA MET A 31 -17.296 15.723 22.029 1.00 51.11 C ATOM 475 C MET A 31 -17.284 16.528 20.733 1.00 13.45 C ATOM 476 O MET A 31 -16.223 16.814 20.178 1.00 73.31 O ATOM 477 CB MET A 31 -16.712 14.331 21.783 1.00 65.10 C ATOM 478 CG MET A 31 -15.424 14.069 22.547 1.00 63.11 C ATOM 479 SD MET A 31 -15.330 12.389 23.195 1.00 61.24 S ATOM 480 CE MET A 31 -16.707 12.390 24.340 1.00 72.14 C ATOM 0 H MET A 31 -19.095 14.713 22.406 1.00 50.22 H new ATOM 0 HA MET A 31 -16.682 16.243 22.764 1.00 51.11 H new ATOM 0 HB2 MET A 31 -17.451 13.581 22.065 1.00 65.10 H new ATOM 0 HB3 MET A 31 -16.524 14.208 20.716 1.00 65.10 H new ATOM 0 HG2 MET A 31 -14.573 14.249 21.890 1.00 63.11 H new ATOM 0 HG3 MET A 31 -15.345 14.777 23.372 1.00 63.11 H new ATOM 0 HE1 MET A 31 -16.504 11.695 25.154 1.00 72.14 H new ATOM 0 HE2 MET A 31 -16.843 13.393 24.745 1.00 72.14 H new ATOM 0 HE3 MET A 31 -17.614 12.083 23.819 1.00 72.14 H new ATOM 490 N PHE A 32 -18.470 16.892 20.257 1.00 35.11 N ATOM 491 CA PHE A 32 -18.596 17.663 19.026 1.00 12.41 C ATOM 492 C PHE A 32 -17.576 18.797 18.988 1.00 2.43 C ATOM 493 O PHE A 32 -17.076 19.162 17.924 1.00 1.50 O ATOM 494 CB PHE A 32 -20.011 18.231 18.897 1.00 32.11 C ATOM 495 CG PHE A 32 -20.255 19.436 19.760 1.00 44.35 C ATOM 496 CD1 PHE A 32 -20.213 19.336 21.141 1.00 73.11 C ATOM 497 CD2 PHE A 32 -20.524 20.670 19.189 1.00 70.20 C ATOM 498 CE1 PHE A 32 -20.438 20.443 21.937 1.00 44.44 C ATOM 499 CE2 PHE A 32 -20.749 21.781 19.980 1.00 42.03 C ATOM 500 CZ PHE A 32 -20.704 21.668 21.355 1.00 35.34 C ATOM 0 H PHE A 32 -19.358 16.665 20.705 1.00 35.11 H new ATOM 0 HA PHE A 32 -18.402 16.995 18.187 1.00 12.41 H new ATOM 0 HB2 PHE A 32 -20.193 18.497 17.856 1.00 32.11 H new ATOM 0 HB3 PHE A 32 -20.730 17.455 19.159 1.00 32.11 H new ATOM 0 HD1 PHE A 32 -20.002 18.382 21.601 1.00 73.11 H new ATOM 0 HD2 PHE A 32 -20.558 20.765 18.114 1.00 70.20 H new ATOM 0 HE1 PHE A 32 -20.406 20.351 23.013 1.00 44.44 H new ATOM 0 HE2 PHE A 32 -20.960 22.736 19.523 1.00 42.03 H new ATOM 0 HZ PHE A 32 -20.876 22.535 21.975 1.00 35.34 H new ATOM 510 N PHE A 33 -17.272 19.351 20.157 1.00 10.15 N ATOM 511 CA PHE A 33 -16.313 20.445 20.259 1.00 22.32 C ATOM 512 C PHE A 33 -14.996 20.078 19.581 1.00 20.02 C ATOM 513 O PHE A 33 -14.509 20.803 18.715 1.00 44.42 O ATOM 514 CB PHE A 33 -16.063 20.797 21.727 1.00 1.20 C ATOM 515 CG PHE A 33 -15.027 21.868 21.918 1.00 14.14 C ATOM 516 CD1 PHE A 33 -13.688 21.540 22.049 1.00 23.43 C ATOM 517 CD2 PHE A 33 -15.394 23.204 21.968 1.00 22.50 C ATOM 518 CE1 PHE A 33 -12.732 22.523 22.225 1.00 32.32 C ATOM 519 CE2 PHE A 33 -14.443 24.191 22.143 1.00 23.12 C ATOM 520 CZ PHE A 33 -13.110 23.850 22.273 1.00 15.13 C ATOM 0 H PHE A 33 -17.676 19.060 21.047 1.00 10.15 H new ATOM 0 HA PHE A 33 -16.734 21.313 19.751 1.00 22.32 H new ATOM 0 HB2 PHE A 33 -17.000 21.124 22.179 1.00 1.20 H new ATOM 0 HB3 PHE A 33 -15.749 19.899 22.259 1.00 1.20 H new ATOM 0 HD1 PHE A 33 -13.387 20.503 22.013 1.00 23.43 H new ATOM 0 HD2 PHE A 33 -16.434 23.476 21.869 1.00 22.50 H new ATOM 0 HE1 PHE A 33 -11.691 22.253 22.325 1.00 32.32 H new ATOM 0 HE2 PHE A 33 -14.741 25.228 22.178 1.00 23.12 H new ATOM 0 HZ PHE A 33 -12.366 24.620 22.412 1.00 15.13 H new ATOM 530 N ALA A 34 -14.425 18.947 19.983 1.00 13.01 N ATOM 531 CA ALA A 34 -13.166 18.482 19.414 1.00 13.52 C ATOM 532 C ALA A 34 -13.400 17.709 18.121 1.00 34.43 C ATOM 533 O ALA A 34 -12.679 17.887 17.139 1.00 33.23 O ATOM 534 CB ALA A 34 -12.419 17.620 20.420 1.00 31.42 C ATOM 0 H ALA A 34 -14.815 18.336 20.701 1.00 13.01 H new ATOM 0 HA ALA A 34 -12.558 19.355 19.178 1.00 13.52 H new ATOM 0 HB1 ALA A 34 -11.481 17.280 19.982 1.00 31.42 H new ATOM 0 HB2 ALA A 34 -12.210 18.205 21.316 1.00 31.42 H new ATOM 0 HB3 ALA A 34 -13.030 16.757 20.684 1.00 31.42 H new ATOM 540 N LYS A 35 -14.412 16.848 18.128 1.00 75.34 N ATOM 541 CA LYS A 35 -14.743 16.046 16.955 1.00 1.04 C ATOM 542 C LYS A 35 -15.022 16.936 15.749 1.00 52.15 C ATOM 543 O LYS A 35 -14.932 16.492 14.605 1.00 64.33 O ATOM 544 CB LYS A 35 -15.959 15.162 17.243 1.00 43.12 C ATOM 545 CG LYS A 35 -15.597 13.742 17.643 1.00 13.34 C ATOM 546 CD LYS A 35 -14.661 13.722 18.840 1.00 34.33 C ATOM 547 CE LYS A 35 -14.750 12.404 19.595 1.00 71.24 C ATOM 548 NZ LYS A 35 -13.497 12.107 20.342 1.00 65.14 N ATOM 0 H LYS A 35 -15.018 16.687 18.933 1.00 75.34 H new ATOM 0 HA LYS A 35 -13.887 15.412 16.726 1.00 1.04 H new ATOM 0 HB2 LYS A 35 -16.547 15.616 18.040 1.00 43.12 H new ATOM 0 HB3 LYS A 35 -16.593 15.131 16.357 1.00 43.12 H new ATOM 0 HG2 LYS A 35 -16.505 13.187 17.880 1.00 13.34 H new ATOM 0 HG3 LYS A 35 -15.124 13.235 16.802 1.00 13.34 H new ATOM 0 HD2 LYS A 35 -13.636 13.882 18.505 1.00 34.33 H new ATOM 0 HD3 LYS A 35 -14.909 14.544 19.511 1.00 34.33 H new ATOM 0 HE2 LYS A 35 -15.588 12.440 20.291 1.00 71.24 H new ATOM 0 HE3 LYS A 35 -14.954 11.596 18.892 1.00 71.24 H new ATOM 0 HZ1 LYS A 35 -13.140 11.171 20.063 1.00 65.14 H new ATOM 0 HZ2 LYS A 35 -12.782 12.830 20.123 1.00 65.14 H new ATOM 0 HZ3 LYS A 35 -13.692 12.112 21.363 1.00 65.14 H new ATOM 562 N GLU A 36 -15.361 18.194 16.012 1.00 5.44 N ATOM 563 CA GLU A 36 -15.652 19.146 14.947 1.00 60.14 C ATOM 564 C GLU A 36 -14.469 19.272 13.992 1.00 45.44 C ATOM 565 O GLU A 36 -14.631 19.643 12.829 1.00 61.33 O ATOM 566 CB GLU A 36 -15.995 20.516 15.535 1.00 21.15 C ATOM 567 CG GLU A 36 -16.091 21.619 14.495 1.00 71.11 C ATOM 568 CD GLU A 36 -16.624 22.917 15.069 1.00 51.44 C ATOM 569 OE1 GLU A 36 -17.788 22.931 15.522 1.00 3.24 O ATOM 570 OE2 GLU A 36 -15.879 23.919 15.064 1.00 43.13 O ATOM 0 H GLU A 36 -15.441 18.578 16.954 1.00 5.44 H new ATOM 0 HA GLU A 36 -16.511 18.774 14.388 1.00 60.14 H new ATOM 0 HB2 GLU A 36 -16.944 20.446 16.067 1.00 21.15 H new ATOM 0 HB3 GLU A 36 -15.237 20.786 16.270 1.00 21.15 H new ATOM 0 HG2 GLU A 36 -15.105 21.794 14.065 1.00 71.11 H new ATOM 0 HG3 GLU A 36 -16.740 21.292 13.683 1.00 71.11 H new ATOM 577 N LYS A 37 -13.277 18.963 14.491 1.00 20.52 N ATOM 578 CA LYS A 37 -12.065 19.040 13.685 1.00 61.05 C ATOM 579 C LYS A 37 -11.954 17.838 12.752 1.00 54.23 C ATOM 580 O LYS A 37 -11.071 17.784 11.895 1.00 14.44 O ATOM 581 CB LYS A 37 -10.831 19.114 14.587 1.00 60.12 C ATOM 582 CG LYS A 37 -10.469 17.787 15.232 1.00 11.41 C ATOM 583 CD LYS A 37 -9.811 17.988 16.587 1.00 32.51 C ATOM 584 CE LYS A 37 -8.416 17.382 16.624 1.00 13.23 C ATOM 585 NZ LYS A 37 -7.532 18.085 17.595 1.00 35.33 N ATOM 0 H LYS A 37 -13.125 18.656 15.452 1.00 20.52 H new ATOM 0 HA LYS A 37 -12.119 19.944 13.079 1.00 61.05 H new ATOM 0 HB2 LYS A 37 -9.983 19.467 14.000 1.00 60.12 H new ATOM 0 HB3 LYS A 37 -11.007 19.853 15.369 1.00 60.12 H new ATOM 0 HG2 LYS A 37 -11.367 17.181 15.349 1.00 11.41 H new ATOM 0 HG3 LYS A 37 -9.795 17.235 14.577 1.00 11.41 H new ATOM 0 HD2 LYS A 37 -9.752 19.053 16.810 1.00 32.51 H new ATOM 0 HD3 LYS A 37 -10.427 17.534 17.363 1.00 32.51 H new ATOM 0 HE2 LYS A 37 -8.485 16.328 16.893 1.00 13.23 H new ATOM 0 HE3 LYS A 37 -7.973 17.429 15.629 1.00 13.23 H new ATOM 0 HZ1 LYS A 37 -6.591 17.643 17.591 1.00 35.33 H new ATOM 0 HZ2 LYS A 37 -7.446 19.085 17.325 1.00 35.33 H new ATOM 0 HZ3 LYS A 37 -7.942 18.018 18.549 1.00 35.33 H new ATOM 599 N ARG A 38 -12.856 16.877 12.923 1.00 54.34 N ATOM 600 CA ARG A 38 -12.860 15.677 12.096 1.00 62.35 C ATOM 601 C ARG A 38 -12.825 16.037 10.613 1.00 10.43 C ATOM 602 O ARG A 38 -12.345 15.262 9.786 1.00 53.31 O ATOM 603 CB ARG A 38 -14.097 14.828 12.396 1.00 43.10 C ATOM 604 CG ARG A 38 -14.099 13.483 11.688 1.00 11.02 C ATOM 605 CD ARG A 38 -15.304 12.645 12.088 1.00 43.42 C ATOM 606 NE ARG A 38 -14.911 11.360 12.660 1.00 12.43 N ATOM 607 CZ ARG A 38 -15.720 10.606 13.396 1.00 71.45 C ATOM 608 NH1 ARG A 38 -16.959 11.005 13.646 1.00 53.01 N ATOM 609 NH2 ARG A 38 -15.290 9.448 13.882 1.00 41.34 N ATOM 0 H ARG A 38 -13.593 16.906 13.627 1.00 54.34 H new ATOM 0 HA ARG A 38 -11.966 15.101 12.334 1.00 62.35 H new ATOM 0 HB2 ARG A 38 -14.162 14.663 13.471 1.00 43.10 H new ATOM 0 HB3 ARG A 38 -14.988 15.384 12.104 1.00 43.10 H new ATOM 0 HG2 ARG A 38 -14.104 13.638 10.609 1.00 11.02 H new ATOM 0 HG3 ARG A 38 -13.183 12.943 11.928 1.00 11.02 H new ATOM 0 HD2 ARG A 38 -15.904 13.196 12.812 1.00 43.42 H new ATOM 0 HD3 ARG A 38 -15.934 12.476 11.215 1.00 43.42 H new ATOM 0 HE ARG A 38 -13.964 11.023 12.485 1.00 12.43 H new ATOM 0 HH11 ARG A 38 -17.294 11.893 13.273 1.00 53.01 H new ATOM 0 HH12 ARG A 38 -17.578 10.424 14.211 1.00 53.01 H new ATOM 0 HH21 ARG A 38 -14.338 9.137 13.690 1.00 41.34 H new ATOM 0 HH22 ARG A 38 -15.912 8.870 14.447 1.00 41.34 H new ATOM 623 N VAL A 39 -13.337 17.219 10.285 1.00 54.30 N ATOM 624 CA VAL A 39 -13.365 17.683 8.903 1.00 3.41 C ATOM 625 C VAL A 39 -11.962 17.719 8.308 1.00 42.53 C ATOM 626 O VAL A 39 -11.795 17.737 7.089 1.00 40.43 O ATOM 627 CB VAL A 39 -13.993 19.085 8.794 1.00 0.52 C ATOM 628 CG1 VAL A 39 -14.053 19.533 7.342 1.00 72.54 C ATOM 629 CG2 VAL A 39 -15.378 19.098 9.422 1.00 13.35 C ATOM 0 H VAL A 39 -13.738 17.873 10.958 1.00 54.30 H new ATOM 0 HA VAL A 39 -13.976 16.975 8.343 1.00 3.41 H new ATOM 0 HB VAL A 39 -13.364 19.789 9.340 1.00 0.52 H new ATOM 0 HG11 VAL A 39 -14.500 20.526 7.286 1.00 72.54 H new ATOM 0 HG12 VAL A 39 -13.045 19.565 6.929 1.00 72.54 H new ATOM 0 HG13 VAL A 39 -14.658 18.830 6.769 1.00 72.54 H new ATOM 0 HG21 VAL A 39 -15.807 20.096 9.336 1.00 13.35 H new ATOM 0 HG22 VAL A 39 -16.018 18.382 8.906 1.00 13.35 H new ATOM 0 HG23 VAL A 39 -15.303 18.825 10.474 1.00 13.35 H new ATOM 639 N GLU A 40 -10.956 17.729 9.177 1.00 41.51 N ATOM 640 CA GLU A 40 -9.566 17.764 8.736 1.00 75.31 C ATOM 641 C GLU A 40 -9.163 16.434 8.104 1.00 12.42 C ATOM 642 O GLU A 40 -8.259 16.381 7.270 1.00 20.31 O ATOM 643 CB GLU A 40 -8.642 18.083 9.913 1.00 73.21 C ATOM 644 CG GLU A 40 -7.552 19.086 9.576 1.00 22.10 C ATOM 645 CD GLU A 40 -8.103 20.372 8.990 1.00 24.44 C ATOM 646 OE1 GLU A 40 -9.162 20.833 9.465 1.00 60.34 O ATOM 647 OE2 GLU A 40 -7.475 20.916 8.058 1.00 10.34 O ATOM 0 H GLU A 40 -11.077 17.713 10.190 1.00 41.51 H new ATOM 0 HA GLU A 40 -9.469 18.548 7.985 1.00 75.31 H new ATOM 0 HB2 GLU A 40 -9.239 18.471 10.738 1.00 73.21 H new ATOM 0 HB3 GLU A 40 -8.179 17.160 10.262 1.00 73.21 H new ATOM 0 HG2 GLU A 40 -6.984 19.316 10.477 1.00 22.10 H new ATOM 0 HG3 GLU A 40 -6.857 18.637 8.867 1.00 22.10 H new ATOM 654 N ILE A 41 -9.840 15.365 8.509 1.00 62.34 N ATOM 655 CA ILE A 41 -9.553 14.036 7.982 1.00 2.04 C ATOM 656 C ILE A 41 -9.577 14.031 6.458 1.00 54.53 C ATOM 657 O ILE A 41 -8.947 13.188 5.819 1.00 10.03 O ATOM 658 CB ILE A 41 -10.560 12.994 8.504 1.00 51.31 C ATOM 659 CG1 ILE A 41 -11.946 13.250 7.908 1.00 60.11 C ATOM 660 CG2 ILE A 41 -10.617 13.027 10.024 1.00 41.21 C ATOM 661 CD1 ILE A 41 -12.281 12.341 6.746 1.00 42.42 C ATOM 0 H ILE A 41 -10.590 15.393 9.200 1.00 62.34 H new ATOM 0 HA ILE A 41 -8.554 13.769 8.327 1.00 2.04 H new ATOM 0 HB ILE A 41 -10.229 12.003 8.194 1.00 51.31 H new ATOM 0 HG12 ILE A 41 -12.697 13.122 8.687 1.00 60.11 H new ATOM 0 HG13 ILE A 41 -12.004 14.287 7.576 1.00 60.11 H new ATOM 0 HG21 ILE A 41 -11.333 12.285 10.377 1.00 41.21 H new ATOM 0 HG22 ILE A 41 -9.631 12.802 10.430 1.00 41.21 H new ATOM 0 HG23 ILE A 41 -10.928 14.018 10.355 1.00 41.21 H new ATOM 0 HD11 ILE A 41 -13.278 12.579 6.374 1.00 42.42 H new ATOM 0 HD12 ILE A 41 -11.552 12.486 5.949 1.00 42.42 H new ATOM 0 HD13 ILE A 41 -12.255 11.303 7.077 1.00 42.42 H new ATOM 673 N ILE A 42 -10.308 14.980 5.880 1.00 25.34 N ATOM 674 CA ILE A 42 -10.412 15.087 4.430 1.00 25.45 C ATOM 675 C ILE A 42 -9.033 15.085 3.779 1.00 42.21 C ATOM 676 O ILE A 42 -8.873 14.644 2.641 1.00 33.02 O ATOM 677 CB ILE A 42 -11.163 16.364 4.013 1.00 50.43 C ATOM 678 CG1 ILE A 42 -11.490 16.325 2.518 1.00 23.44 C ATOM 679 CG2 ILE A 42 -10.337 17.598 4.347 1.00 35.33 C ATOM 680 CD1 ILE A 42 -10.438 16.983 1.652 1.00 35.44 C ATOM 0 H ILE A 42 -10.836 15.685 6.394 1.00 25.34 H new ATOM 0 HA ILE A 42 -10.974 14.218 4.088 1.00 25.45 H new ATOM 0 HB ILE A 42 -12.099 16.415 4.570 1.00 50.43 H new ATOM 0 HG12 ILE A 42 -11.608 15.287 2.207 1.00 23.44 H new ATOM 0 HG13 ILE A 42 -12.447 16.818 2.351 1.00 23.44 H new ATOM 0 HG21 ILE A 42 -10.882 18.493 4.046 1.00 35.33 H new ATOM 0 HG22 ILE A 42 -10.150 17.631 5.420 1.00 35.33 H new ATOM 0 HG23 ILE A 42 -9.387 17.555 3.814 1.00 35.33 H new ATOM 0 HD11 ILE A 42 -10.736 16.918 0.605 1.00 35.44 H new ATOM 0 HD12 ILE A 42 -10.336 18.030 1.936 1.00 35.44 H new ATOM 0 HD13 ILE A 42 -9.483 16.475 1.790 1.00 35.44 H new ATOM 692 N ALA A 43 -8.039 15.580 4.509 1.00 42.31 N ATOM 693 CA ALA A 43 -6.673 15.633 4.004 1.00 64.42 C ATOM 694 C ALA A 43 -5.981 14.282 4.150 1.00 20.54 C ATOM 695 O ALA A 43 -5.216 13.869 3.280 1.00 61.54 O ATOM 696 CB ALA A 43 -5.883 16.713 4.728 1.00 51.10 C ATOM 0 H ALA A 43 -8.154 15.950 5.452 1.00 42.31 H new ATOM 0 HA ALA A 43 -6.714 15.879 2.943 1.00 64.42 H new ATOM 0 HB1 ALA A 43 -4.865 16.741 4.340 1.00 51.10 H new ATOM 0 HB2 ALA A 43 -6.359 17.681 4.568 1.00 51.10 H new ATOM 0 HB3 ALA A 43 -5.859 16.492 5.795 1.00 51.10 H new ATOM 702 N GLU A 44 -6.255 13.598 5.257 1.00 11.55 N ATOM 703 CA GLU A 44 -5.657 12.294 5.517 1.00 1.34 C ATOM 704 C GLU A 44 -6.133 11.264 4.497 1.00 0.31 C ATOM 705 O GLU A 44 -5.438 10.290 4.212 1.00 1.14 O ATOM 706 CB GLU A 44 -6.001 11.824 6.932 1.00 22.41 C ATOM 707 CG GLU A 44 -5.544 10.405 7.229 1.00 11.25 C ATOM 708 CD GLU A 44 -5.499 10.106 8.715 1.00 0.34 C ATOM 709 OE1 GLU A 44 -4.488 10.453 9.361 1.00 42.34 O ATOM 710 OE2 GLU A 44 -6.476 9.525 9.233 1.00 41.30 O ATOM 0 H GLU A 44 -6.887 13.925 5.988 1.00 11.55 H new ATOM 0 HA GLU A 44 -4.575 12.394 5.428 1.00 1.34 H new ATOM 0 HB2 GLU A 44 -5.544 12.502 7.652 1.00 22.41 H new ATOM 0 HB3 GLU A 44 -7.080 11.887 7.075 1.00 22.41 H new ATOM 0 HG2 GLU A 44 -6.217 9.701 6.741 1.00 11.25 H new ATOM 0 HG3 GLU A 44 -4.554 10.249 6.801 1.00 11.25 H new ATOM 717 N ASN A 45 -7.324 11.488 3.951 1.00 63.03 N ATOM 718 CA ASN A 45 -7.894 10.579 2.963 1.00 52.31 C ATOM 719 C ASN A 45 -8.203 11.314 1.662 1.00 45.12 C ATOM 720 O ASN A 45 -9.356 11.602 1.341 1.00 43.13 O ATOM 721 CB ASN A 45 -9.168 9.932 3.510 1.00 10.13 C ATOM 722 CG ASN A 45 -8.930 8.520 4.011 1.00 51.52 C ATOM 723 OD1 ASN A 45 -9.562 7.549 3.363 1.00 71.42 O flip ATOM 724 ND2 ASN A 45 -8.187 8.307 4.969 1.00 62.25 N flip ATOM 0 H ASN A 45 -7.913 12.290 4.176 1.00 63.03 H new ATOM 0 HA ASN A 45 -7.159 9.801 2.755 1.00 52.31 H new ATOM 0 HB2 ASN A 45 -9.562 10.542 4.323 1.00 10.13 H new ATOM 0 HB3 ASN A 45 -9.928 9.914 2.729 1.00 10.13 H new ATOM 0 HD21 ASN A 45 -7.722 9.085 5.437 1.00 62.25 H new ATOM 0 HD22 ASN A 45 -8.036 7.352 5.295 1.00 62.25 H new ATOM 731 N PRO A 46 -7.148 11.625 0.894 1.00 62.24 N ATOM 732 CA PRO A 46 -7.280 12.329 -0.385 1.00 71.24 C ATOM 733 C PRO A 46 -7.931 11.463 -1.459 1.00 12.32 C ATOM 734 O PRO A 46 -8.253 11.944 -2.545 1.00 31.02 O ATOM 735 CB PRO A 46 -5.833 12.652 -0.764 1.00 65.40 C ATOM 736 CG PRO A 46 -5.019 11.616 -0.067 1.00 41.40 C ATOM 737 CD PRO A 46 -5.745 11.312 1.214 1.00 0.31 C ATOM 0 HA PRO A 46 -7.919 13.208 -0.302 1.00 71.24 H new ATOM 0 HB2 PRO A 46 -5.688 12.610 -1.843 1.00 65.40 H new ATOM 0 HB3 PRO A 46 -5.554 13.656 -0.444 1.00 65.40 H new ATOM 0 HG2 PRO A 46 -4.918 10.721 -0.681 1.00 41.40 H new ATOM 0 HG3 PRO A 46 -4.011 11.980 0.133 1.00 41.40 H new ATOM 0 HD2 PRO A 46 -5.623 10.269 1.507 1.00 0.31 H new ATOM 0 HD3 PRO A 46 -5.376 11.921 2.039 1.00 0.31 H new ATOM 745 N GLU A 47 -8.122 10.185 -1.147 1.00 12.32 N ATOM 746 CA GLU A 47 -8.735 9.254 -2.086 1.00 61.44 C ATOM 747 C GLU A 47 -10.159 9.682 -2.427 1.00 14.21 C ATOM 748 O GLU A 47 -10.513 9.822 -3.598 1.00 35.11 O ATOM 749 CB GLU A 47 -8.742 7.838 -1.505 1.00 2.54 C ATOM 750 CG GLU A 47 -8.787 6.747 -2.560 1.00 63.43 C ATOM 751 CD GLU A 47 -7.408 6.360 -3.059 1.00 2.10 C ATOM 752 OE1 GLU A 47 -6.650 7.264 -3.469 1.00 23.43 O ATOM 753 OE2 GLU A 47 -7.087 5.153 -3.039 1.00 52.10 O ATOM 0 H GLU A 47 -7.861 9.771 -0.252 1.00 12.32 H new ATOM 0 HA GLU A 47 -8.143 9.261 -3.001 1.00 61.44 H new ATOM 0 HB2 GLU A 47 -7.851 7.702 -0.892 1.00 2.54 H new ATOM 0 HB3 GLU A 47 -9.603 7.729 -0.845 1.00 2.54 H new ATOM 0 HG2 GLU A 47 -9.280 5.867 -2.146 1.00 63.43 H new ATOM 0 HG3 GLU A 47 -9.392 7.085 -3.401 1.00 63.43 H new ATOM 760 N ILE A 48 -10.971 9.888 -1.395 1.00 52.54 N ATOM 761 CA ILE A 48 -12.356 10.301 -1.585 1.00 13.42 C ATOM 762 C ILE A 48 -12.518 11.801 -1.362 1.00 51.20 C ATOM 763 O ILE A 48 -13.635 12.317 -1.331 1.00 2.45 O ATOM 764 CB ILE A 48 -13.304 9.547 -0.633 1.00 44.31 C ATOM 765 CG1 ILE A 48 -13.381 10.263 0.717 1.00 31.22 C ATOM 766 CG2 ILE A 48 -12.838 8.110 -0.451 1.00 52.33 C ATOM 767 CD1 ILE A 48 -12.031 10.488 1.360 1.00 5.10 C ATOM 0 H ILE A 48 -10.694 9.776 -0.420 1.00 52.54 H new ATOM 0 HA ILE A 48 -12.619 10.058 -2.615 1.00 13.42 H new ATOM 0 HB ILE A 48 -14.301 9.532 -1.073 1.00 44.31 H new ATOM 0 HG12 ILE A 48 -13.874 11.225 0.581 1.00 31.22 H new ATOM 0 HG13 ILE A 48 -14.004 9.678 1.394 1.00 31.22 H new ATOM 0 HG21 ILE A 48 -13.518 7.590 0.224 1.00 52.33 H new ATOM 0 HG22 ILE A 48 -12.829 7.605 -1.417 1.00 52.33 H new ATOM 0 HG23 ILE A 48 -11.833 8.104 -0.030 1.00 52.33 H new ATOM 0 HD11 ILE A 48 -12.163 11.000 2.313 1.00 5.10 H new ATOM 0 HD12 ILE A 48 -11.544 9.528 1.528 1.00 5.10 H new ATOM 0 HD13 ILE A 48 -11.412 11.099 0.703 1.00 5.10 H new ATOM 779 N ALA A 49 -11.395 12.496 -1.210 1.00 34.23 N ATOM 780 CA ALA A 49 -11.412 13.937 -0.994 1.00 11.31 C ATOM 781 C ALA A 49 -12.134 14.654 -2.130 1.00 41.00 C ATOM 782 O ALA A 49 -12.645 15.760 -1.955 1.00 10.32 O ATOM 783 CB ALA A 49 -9.993 14.466 -0.851 1.00 44.11 C ATOM 0 H ALA A 49 -10.462 12.084 -1.233 1.00 34.23 H new ATOM 0 HA ALA A 49 -11.956 14.135 -0.071 1.00 11.31 H new ATOM 0 HB1 ALA A 49 -10.021 15.544 -0.690 1.00 44.11 H new ATOM 0 HB2 ALA A 49 -9.509 13.985 -0.001 1.00 44.11 H new ATOM 0 HB3 ALA A 49 -9.431 14.249 -1.759 1.00 44.11 H new ATOM 789 N LYS A 50 -12.172 14.017 -3.296 1.00 3.34 N ATOM 790 CA LYS A 50 -12.831 14.593 -4.462 1.00 13.15 C ATOM 791 C LYS A 50 -14.205 13.966 -4.674 1.00 54.12 C ATOM 792 O LYS A 50 -14.671 13.838 -5.807 1.00 12.14 O ATOM 793 CB LYS A 50 -11.970 14.395 -5.711 1.00 25.55 C ATOM 794 CG LYS A 50 -10.835 15.397 -5.832 1.00 51.14 C ATOM 795 CD LYS A 50 -11.339 16.758 -6.284 1.00 34.44 C ATOM 796 CE LYS A 50 -10.202 17.638 -6.777 1.00 5.45 C ATOM 797 NZ LYS A 50 -10.696 18.943 -7.297 1.00 4.44 N ATOM 0 H LYS A 50 -11.754 13.101 -3.458 1.00 3.34 H new ATOM 0 HA LYS A 50 -12.961 15.661 -4.284 1.00 13.15 H new ATOM 0 HB2 LYS A 50 -11.554 13.387 -5.700 1.00 25.55 H new ATOM 0 HB3 LYS A 50 -12.604 14.468 -6.595 1.00 25.55 H new ATOM 0 HG2 LYS A 50 -10.331 15.495 -4.870 1.00 51.14 H new ATOM 0 HG3 LYS A 50 -10.096 15.027 -6.543 1.00 51.14 H new ATOM 0 HD2 LYS A 50 -12.072 16.629 -7.080 1.00 34.44 H new ATOM 0 HD3 LYS A 50 -11.850 17.251 -5.457 1.00 34.44 H new ATOM 0 HE2 LYS A 50 -9.500 17.814 -5.962 1.00 5.45 H new ATOM 0 HE3 LYS A 50 -9.655 17.118 -7.563 1.00 5.45 H new ATOM 0 HZ1 LYS A 50 -9.890 19.514 -7.623 1.00 4.44 H new ATOM 0 HZ2 LYS A 50 -11.347 18.776 -8.091 1.00 4.44 H new ATOM 0 HZ3 LYS A 50 -11.196 19.451 -6.540 1.00 4.44 H new ATOM 811 N ASP A 51 -14.850 13.579 -3.579 1.00 63.40 N ATOM 812 CA ASP A 51 -16.172 12.967 -3.646 1.00 10.43 C ATOM 813 C ASP A 51 -17.260 14.034 -3.724 1.00 72.30 C ATOM 814 O ASP A 51 -17.731 14.532 -2.701 1.00 62.33 O ATOM 815 CB ASP A 51 -16.405 12.071 -2.428 1.00 52.53 C ATOM 816 CG ASP A 51 -15.871 10.667 -2.632 1.00 12.30 C ATOM 817 OD1 ASP A 51 -14.854 10.517 -3.340 1.00 24.14 O ATOM 818 OD2 ASP A 51 -16.471 9.719 -2.084 1.00 74.44 O ATOM 0 H ASP A 51 -14.479 13.678 -2.634 1.00 63.40 H new ATOM 0 HA ASP A 51 -16.219 12.358 -4.549 1.00 10.43 H new ATOM 0 HB2 ASP A 51 -15.925 12.516 -1.556 1.00 52.53 H new ATOM 0 HB3 ASP A 51 -17.473 12.023 -2.215 1.00 52.53 H new ATOM 823 N VAL A 52 -17.655 14.381 -4.945 1.00 70.40 N ATOM 824 CA VAL A 52 -18.688 15.388 -5.157 1.00 64.23 C ATOM 825 C VAL A 52 -20.079 14.799 -4.956 1.00 74.24 C ATOM 826 O VAL A 52 -21.035 15.520 -4.672 1.00 3.40 O ATOM 827 CB VAL A 52 -18.598 15.994 -6.570 1.00 41.42 C ATOM 828 CG1 VAL A 52 -18.796 14.919 -7.627 1.00 30.50 C ATOM 829 CG2 VAL A 52 -19.618 17.111 -6.736 1.00 72.50 C ATOM 0 H VAL A 52 -17.275 13.980 -5.802 1.00 70.40 H new ATOM 0 HA VAL A 52 -18.520 16.174 -4.421 1.00 64.23 H new ATOM 0 HB VAL A 52 -17.603 16.419 -6.701 1.00 41.42 H new ATOM 0 HG11 VAL A 52 -18.729 15.367 -8.618 1.00 30.50 H new ATOM 0 HG12 VAL A 52 -18.024 14.157 -7.520 1.00 30.50 H new ATOM 0 HG13 VAL A 52 -19.777 14.461 -7.501 1.00 30.50 H new ATOM 0 HG21 VAL A 52 -19.541 17.528 -7.740 1.00 72.50 H new ATOM 0 HG22 VAL A 52 -20.621 16.713 -6.585 1.00 72.50 H new ATOM 0 HG23 VAL A 52 -19.424 17.893 -6.002 1.00 72.50 H new ATOM 839 N ALA A 53 -20.186 13.483 -5.106 1.00 31.52 N ATOM 840 CA ALA A 53 -21.461 12.796 -4.938 1.00 64.53 C ATOM 841 C ALA A 53 -21.747 12.522 -3.466 1.00 32.42 C ATOM 842 O ALA A 53 -22.902 12.383 -3.064 1.00 30.31 O ATOM 843 CB ALA A 53 -21.468 11.496 -5.730 1.00 40.30 C ATOM 0 H ALA A 53 -19.405 12.871 -5.344 1.00 31.52 H new ATOM 0 HA ALA A 53 -22.249 13.446 -5.319 1.00 64.53 H new ATOM 0 HB1 ALA A 53 -22.426 10.993 -5.596 1.00 40.30 H new ATOM 0 HB2 ALA A 53 -21.317 11.713 -6.787 1.00 40.30 H new ATOM 0 HB3 ALA A 53 -20.666 10.849 -5.375 1.00 40.30 H new ATOM 849 N ALA A 54 -20.689 12.444 -2.666 1.00 45.31 N ATOM 850 CA ALA A 54 -20.827 12.188 -1.238 1.00 11.11 C ATOM 851 C ALA A 54 -21.710 13.240 -0.575 1.00 23.04 C ATOM 852 O ALA A 54 -22.327 12.983 0.459 1.00 34.12 O ATOM 853 CB ALA A 54 -19.459 12.149 -0.574 1.00 2.25 C ATOM 0 H ALA A 54 -19.726 12.555 -2.983 1.00 45.31 H new ATOM 0 HA ALA A 54 -21.307 11.217 -1.112 1.00 11.11 H new ATOM 0 HB1 ALA A 54 -19.578 11.957 0.492 1.00 2.25 H new ATOM 0 HB2 ALA A 54 -18.860 11.356 -1.021 1.00 2.25 H new ATOM 0 HB3 ALA A 54 -18.958 13.106 -0.717 1.00 2.25 H new ATOM 859 N ILE A 55 -21.764 14.424 -1.175 1.00 4.22 N ATOM 860 CA ILE A 55 -22.571 15.514 -0.642 1.00 12.24 C ATOM 861 C ILE A 55 -24.060 15.214 -0.780 1.00 42.45 C ATOM 862 O ILE A 55 -24.880 15.725 -0.019 1.00 33.41 O ATOM 863 CB ILE A 55 -22.259 16.845 -1.350 1.00 43.35 C ATOM 864 CG1 ILE A 55 -20.782 17.206 -1.177 1.00 11.31 C ATOM 865 CG2 ILE A 55 -23.148 17.955 -0.810 1.00 31.13 C ATOM 866 CD1 ILE A 55 -19.960 17.006 -2.431 1.00 3.43 C ATOM 0 H ILE A 55 -21.258 14.653 -2.031 1.00 4.22 H new ATOM 0 HA ILE A 55 -22.318 15.606 0.414 1.00 12.24 H new ATOM 0 HB ILE A 55 -22.463 16.729 -2.414 1.00 43.35 H new ATOM 0 HG12 ILE A 55 -20.705 18.247 -0.864 1.00 11.31 H new ATOM 0 HG13 ILE A 55 -20.360 16.600 -0.375 1.00 11.31 H new ATOM 0 HG21 ILE A 55 -22.915 18.889 -1.321 1.00 31.13 H new ATOM 0 HG22 ILE A 55 -24.194 17.699 -0.981 1.00 31.13 H new ATOM 0 HG23 ILE A 55 -22.974 18.073 0.259 1.00 31.13 H new ATOM 0 HD11 ILE A 55 -18.924 17.282 -2.235 1.00 3.43 H new ATOM 0 HD12 ILE A 55 -20.006 15.960 -2.733 1.00 3.43 H new ATOM 0 HD13 ILE A 55 -20.357 17.632 -3.230 1.00 3.43 H new ATOM 878 N GLY A 56 -24.402 14.381 -1.758 1.00 65.34 N ATOM 879 CA GLY A 56 -25.791 14.025 -1.979 1.00 12.44 C ATOM 880 C GLY A 56 -26.248 12.889 -1.085 1.00 43.12 C ATOM 881 O GLY A 56 -27.404 12.846 -0.665 1.00 30.43 O ATOM 0 H GLY A 56 -23.741 13.946 -2.402 1.00 65.34 H new ATOM 0 HA2 GLY A 56 -26.419 14.898 -1.802 1.00 12.44 H new ATOM 0 HA3 GLY A 56 -25.928 13.740 -3.022 1.00 12.44 H new ATOM 885 N LYS A 57 -25.338 11.965 -0.795 1.00 33.11 N ATOM 886 CA LYS A 57 -25.652 10.822 0.054 1.00 74.21 C ATOM 887 C LYS A 57 -25.535 11.191 1.529 1.00 23.02 C ATOM 888 O LYS A 57 -26.122 10.537 2.391 1.00 44.02 O ATOM 889 CB LYS A 57 -24.720 9.651 -0.266 1.00 4.42 C ATOM 890 CG LYS A 57 -25.011 8.989 -1.601 1.00 45.14 C ATOM 891 CD LYS A 57 -23.769 8.333 -2.181 1.00 24.35 C ATOM 892 CE LYS A 57 -23.328 7.140 -1.346 1.00 71.42 C ATOM 893 NZ LYS A 57 -22.337 6.294 -2.068 1.00 34.34 N ATOM 0 H LYS A 57 -24.377 11.986 -1.136 1.00 33.11 H new ATOM 0 HA LYS A 57 -26.681 10.524 -0.147 1.00 74.21 H new ATOM 0 HB2 LYS A 57 -23.690 10.007 -0.263 1.00 4.42 H new ATOM 0 HB3 LYS A 57 -24.802 8.906 0.525 1.00 4.42 H new ATOM 0 HG2 LYS A 57 -25.793 8.241 -1.474 1.00 45.14 H new ATOM 0 HG3 LYS A 57 -25.392 9.732 -2.301 1.00 45.14 H new ATOM 0 HD2 LYS A 57 -23.970 8.009 -3.202 1.00 24.35 H new ATOM 0 HD3 LYS A 57 -22.961 9.062 -2.231 1.00 24.35 H new ATOM 0 HE2 LYS A 57 -22.892 7.492 -0.411 1.00 71.42 H new ATOM 0 HE3 LYS A 57 -24.198 6.538 -1.085 1.00 71.42 H new ATOM 0 HZ1 LYS A 57 -22.061 5.492 -1.466 1.00 34.34 H new ATOM 0 HZ2 LYS A 57 -22.761 5.937 -2.948 1.00 34.34 H new ATOM 0 HZ3 LYS A 57 -21.496 6.862 -2.295 1.00 34.34 H new ATOM 907 N MET A 58 -24.774 12.243 1.812 1.00 0.34 N ATOM 908 CA MET A 58 -24.582 12.700 3.184 1.00 54.41 C ATOM 909 C MET A 58 -25.924 12.911 3.879 1.00 23.42 C ATOM 910 O MET A 58 -26.025 12.793 5.101 1.00 70.43 O ATOM 911 CB MET A 58 -23.776 14.000 3.203 1.00 43.21 C ATOM 912 CG MET A 58 -24.621 15.243 2.976 1.00 44.25 C ATOM 913 SD MET A 58 -23.625 16.707 2.635 1.00 4.35 S ATOM 914 CE MET A 58 -24.887 17.978 2.613 1.00 20.23 C ATOM 0 H MET A 58 -24.280 12.795 1.110 1.00 0.34 H new ATOM 0 HA MET A 58 -24.030 11.930 3.723 1.00 54.41 H new ATOM 0 HB2 MET A 58 -23.266 14.088 4.162 1.00 43.21 H new ATOM 0 HB3 MET A 58 -23.004 13.950 2.435 1.00 43.21 H new ATOM 0 HG2 MET A 58 -25.301 15.068 2.142 1.00 44.25 H new ATOM 0 HG3 MET A 58 -25.237 15.425 3.857 1.00 44.25 H new ATOM 0 HE1 MET A 58 -24.426 18.945 2.413 1.00 20.23 H new ATOM 0 HE2 MET A 58 -25.615 17.755 1.833 1.00 20.23 H new ATOM 0 HE3 MET A 58 -25.390 18.009 3.580 1.00 20.23 H new ATOM 924 N ILE A 59 -26.949 13.222 3.094 1.00 15.44 N ATOM 925 CA ILE A 59 -28.284 13.448 3.636 1.00 61.13 C ATOM 926 C ILE A 59 -28.850 12.173 4.251 1.00 74.21 C ATOM 927 O ILE A 59 -29.136 12.122 5.446 1.00 20.54 O ATOM 928 CB ILE A 59 -29.253 13.956 2.552 1.00 62.34 C ATOM 929 CG1 ILE A 59 -28.637 15.137 1.799 1.00 62.10 C ATOM 930 CG2 ILE A 59 -30.583 14.353 3.174 1.00 70.10 C ATOM 931 CD1 ILE A 59 -28.275 16.301 2.694 1.00 11.42 C ATOM 0 H ILE A 59 -26.882 13.323 2.081 1.00 15.44 H new ATOM 0 HA ILE A 59 -28.186 14.209 4.410 1.00 61.13 H new ATOM 0 HB ILE A 59 -29.433 13.150 1.841 1.00 62.34 H new ATOM 0 HG12 ILE A 59 -27.742 14.798 1.277 1.00 62.10 H new ATOM 0 HG13 ILE A 59 -29.339 15.479 1.038 1.00 62.10 H new ATOM 0 HG21 ILE A 59 -31.257 14.710 2.395 1.00 70.10 H new ATOM 0 HG22 ILE A 59 -31.026 13.489 3.669 1.00 70.10 H new ATOM 0 HG23 ILE A 59 -30.421 15.146 3.905 1.00 70.10 H new ATOM 0 HD11 ILE A 59 -27.844 17.102 2.093 1.00 11.42 H new ATOM 0 HD12 ILE A 59 -29.171 16.666 3.196 1.00 11.42 H new ATOM 0 HD13 ILE A 59 -27.549 15.975 3.439 1.00 11.42 H new ATOM 943 N GLY A 60 -29.009 11.143 3.425 1.00 42.14 N ATOM 944 CA GLY A 60 -29.539 9.881 3.906 1.00 63.43 C ATOM 945 C GLY A 60 -28.562 9.145 4.801 1.00 4.23 C ATOM 946 O GLY A 60 -28.965 8.351 5.651 1.00 44.32 O ATOM 0 H GLY A 60 -28.780 11.161 2.431 1.00 42.14 H new ATOM 0 HA2 GLY A 60 -30.463 10.064 4.455 1.00 63.43 H new ATOM 0 HA3 GLY A 60 -29.794 9.250 3.055 1.00 63.43 H new ATOM 950 N ALA A 61 -27.273 9.408 4.610 1.00 0.32 N ATOM 951 CA ALA A 61 -26.236 8.766 5.408 1.00 63.23 C ATOM 952 C ALA A 61 -26.048 9.480 6.742 1.00 45.12 C ATOM 953 O ALA A 61 -25.481 8.922 7.681 1.00 44.13 O ATOM 954 CB ALA A 61 -24.924 8.729 4.637 1.00 74.11 C ATOM 0 H ALA A 61 -26.922 10.061 3.909 1.00 0.32 H new ATOM 0 HA ALA A 61 -26.552 7.744 5.615 1.00 63.23 H new ATOM 0 HB1 ALA A 61 -24.158 8.247 5.245 1.00 74.11 H new ATOM 0 HB2 ALA A 61 -25.061 8.167 3.713 1.00 74.11 H new ATOM 0 HB3 ALA A 61 -24.612 9.746 4.400 1.00 74.11 H new ATOM 960 N ALA A 62 -26.526 10.718 6.818 1.00 71.42 N ATOM 961 CA ALA A 62 -26.411 11.507 8.038 1.00 54.34 C ATOM 962 C ALA A 62 -27.102 10.814 9.207 1.00 1.33 C ATOM 963 O ALA A 62 -26.522 10.666 10.283 1.00 50.20 O ATOM 964 CB ALA A 62 -26.996 12.896 7.824 1.00 33.33 C ATOM 0 H ALA A 62 -26.996 11.196 6.049 1.00 71.42 H new ATOM 0 HA ALA A 62 -25.353 11.603 8.281 1.00 54.34 H new ATOM 0 HB1 ALA A 62 -26.904 13.475 8.743 1.00 33.33 H new ATOM 0 HB2 ALA A 62 -26.455 13.399 7.022 1.00 33.33 H new ATOM 0 HB3 ALA A 62 -28.048 12.810 7.553 1.00 33.33 H new ATOM 970 N TRP A 63 -28.342 10.393 8.990 1.00 33.40 N ATOM 971 CA TRP A 63 -29.112 9.716 10.028 1.00 61.54 C ATOM 972 C TRP A 63 -28.408 8.442 10.484 1.00 54.04 C ATOM 973 O TRP A 63 -28.369 8.136 11.675 1.00 51.54 O ATOM 974 CB TRP A 63 -30.514 9.383 9.516 1.00 74.21 C ATOM 975 CG TRP A 63 -31.607 9.874 10.416 1.00 13.04 C ATOM 976 CD1 TRP A 63 -31.675 11.090 11.035 1.00 72.31 C ATOM 977 CD2 TRP A 63 -32.787 9.160 10.800 1.00 31.34 C ATOM 978 NE1 TRP A 63 -32.826 11.174 11.780 1.00 14.14 N ATOM 979 CE2 TRP A 63 -33.526 10.004 11.653 1.00 72.54 C ATOM 980 CE3 TRP A 63 -33.292 7.891 10.506 1.00 74.41 C ATOM 981 CZ2 TRP A 63 -34.741 9.617 12.212 1.00 20.31 C ATOM 982 CZ3 TRP A 63 -34.498 7.508 11.062 1.00 30.03 C ATOM 983 CH2 TRP A 63 -35.212 8.369 11.907 1.00 62.42 C ATOM 0 H TRP A 63 -28.836 10.508 8.105 1.00 33.40 H new ATOM 0 HA TRP A 63 -29.195 10.389 10.882 1.00 61.54 H new ATOM 0 HB2 TRP A 63 -30.645 9.820 8.526 1.00 74.21 H new ATOM 0 HB3 TRP A 63 -30.604 8.303 9.402 1.00 74.21 H new ATOM 0 HD1 TRP A 63 -30.933 11.870 10.951 1.00 72.31 H new ATOM 0 HE1 TRP A 63 -33.113 11.978 12.338 1.00 14.14 H new ATOM 0 HE3 TRP A 63 -32.749 7.221 9.856 1.00 74.41 H new ATOM 0 HZ2 TRP A 63 -35.292 10.279 12.864 1.00 20.31 H new ATOM 0 HZ3 TRP A 63 -34.897 6.529 10.842 1.00 30.03 H new ATOM 0 HH2 TRP A 63 -36.152 8.041 12.325 1.00 62.42 H new ATOM 994 N ASN A 64 -27.854 7.703 9.528 1.00 22.13 N ATOM 995 CA ASN A 64 -27.152 6.462 9.833 1.00 24.51 C ATOM 996 C ASN A 64 -25.668 6.722 10.079 1.00 74.34 C ATOM 997 O ASN A 64 -24.862 5.792 10.114 1.00 15.43 O ATOM 998 CB ASN A 64 -27.323 5.460 8.689 1.00 43.31 C ATOM 999 CG ASN A 64 -28.779 5.129 8.424 1.00 65.43 C ATOM 1000 OD1 ASN A 64 -29.386 4.334 9.141 1.00 14.24 O ATOM 1001 ND2 ASN A 64 -29.345 5.737 7.388 1.00 2.53 N ATOM 0 H ASN A 64 -27.878 7.942 8.537 1.00 22.13 H new ATOM 0 HA ASN A 64 -27.585 6.043 10.742 1.00 24.51 H new ATOM 0 HB2 ASN A 64 -26.875 5.867 7.783 1.00 43.31 H new ATOM 0 HB3 ASN A 64 -26.783 4.544 8.928 1.00 43.31 H new ATOM 0 HD21 ASN A 64 -30.322 5.552 7.159 1.00 2.53 H new ATOM 0 HD22 ASN A 64 -28.803 6.389 6.821 1.00 2.53 H new ATOM 1008 N ALA A 65 -25.316 7.992 10.248 1.00 72.13 N ATOM 1009 CA ALA A 65 -23.931 8.374 10.493 1.00 51.44 C ATOM 1010 C ALA A 65 -23.497 7.990 11.903 1.00 44.41 C ATOM 1011 O ALA A 65 -22.303 7.882 12.188 1.00 12.32 O ATOM 1012 CB ALA A 65 -23.749 9.869 10.271 1.00 72.33 C ATOM 0 H ALA A 65 -25.971 8.774 10.220 1.00 72.13 H new ATOM 0 HA ALA A 65 -23.300 7.833 9.787 1.00 51.44 H new ATOM 0 HB1 ALA A 65 -22.710 10.141 10.457 1.00 72.33 H new ATOM 0 HB2 ALA A 65 -24.010 10.119 9.243 1.00 72.33 H new ATOM 0 HB3 ALA A 65 -24.396 10.420 10.954 1.00 72.33 H new ATOM 1018 N LEU A 66 -24.471 7.786 12.782 1.00 33.10 N ATOM 1019 CA LEU A 66 -24.189 7.414 14.164 1.00 13.22 C ATOM 1020 C LEU A 66 -23.885 5.924 14.276 1.00 35.41 C ATOM 1021 O LEU A 66 -23.948 5.191 13.289 1.00 52.33 O ATOM 1022 CB LEU A 66 -25.375 7.773 15.062 1.00 41.34 C ATOM 1023 CG LEU A 66 -25.302 9.132 15.759 1.00 43.45 C ATOM 1024 CD1 LEU A 66 -24.084 9.201 16.667 1.00 14.44 C ATOM 1025 CD2 LEU A 66 -25.268 10.256 14.733 1.00 14.42 C ATOM 0 H LEU A 66 -25.463 7.872 12.563 1.00 33.10 H new ATOM 0 HA LEU A 66 -23.311 7.971 14.492 1.00 13.22 H new ATOM 0 HB2 LEU A 66 -26.283 7.744 14.459 1.00 41.34 H new ATOM 0 HB3 LEU A 66 -25.474 7.001 15.825 1.00 41.34 H new ATOM 0 HG LEU A 66 -26.195 9.253 16.372 1.00 43.45 H new ATOM 0 HD11 LEU A 66 -24.048 10.175 17.155 1.00 14.44 H new ATOM 0 HD12 LEU A 66 -24.149 8.419 17.423 1.00 14.44 H new ATOM 0 HD13 LEU A 66 -23.180 9.058 16.075 1.00 14.44 H new ATOM 0 HD21 LEU A 66 -25.216 11.216 15.247 1.00 14.42 H new ATOM 0 HD22 LEU A 66 -24.393 10.139 14.094 1.00 14.42 H new ATOM 0 HD23 LEU A 66 -26.171 10.219 14.123 1.00 14.42 H new ATOM 1037 N SER A 67 -23.558 5.481 15.486 1.00 71.21 N ATOM 1038 CA SER A 67 -23.243 4.078 15.727 1.00 60.42 C ATOM 1039 C SER A 67 -24.446 3.190 15.420 1.00 2.45 C ATOM 1040 O SER A 67 -25.593 3.586 15.630 1.00 5.31 O ATOM 1041 CB SER A 67 -22.801 3.874 17.177 1.00 10.03 C ATOM 1042 OG SER A 67 -21.534 4.464 17.412 1.00 13.10 O ATOM 0 H SER A 67 -23.504 6.074 16.314 1.00 71.21 H new ATOM 0 HA SER A 67 -22.426 3.796 15.063 1.00 60.42 H new ATOM 0 HB2 SER A 67 -23.539 4.310 17.850 1.00 10.03 H new ATOM 0 HB3 SER A 67 -22.756 2.808 17.400 1.00 10.03 H new ATOM 0 HG SER A 67 -21.275 4.321 18.346 1.00 13.10 H new ATOM 1048 N ASP A 68 -24.175 1.989 14.923 1.00 20.31 N ATOM 1049 CA ASP A 68 -25.234 1.043 14.588 1.00 3.52 C ATOM 1050 C ASP A 68 -25.924 0.532 15.849 1.00 70.34 C ATOM 1051 O ASP A 68 -27.140 0.652 15.994 1.00 40.43 O ATOM 1052 CB ASP A 68 -24.665 -0.131 13.791 1.00 64.12 C ATOM 1053 CG ASP A 68 -24.404 0.226 12.341 1.00 60.24 C ATOM 1054 OD1 ASP A 68 -24.878 1.293 11.898 1.00 5.24 O ATOM 1055 OD2 ASP A 68 -23.727 -0.563 11.648 1.00 52.45 O ATOM 0 H ASP A 68 -23.231 1.647 14.743 1.00 20.31 H new ATOM 0 HA ASP A 68 -25.972 1.562 13.977 1.00 3.52 H new ATOM 0 HB2 ASP A 68 -23.736 -0.464 14.253 1.00 64.12 H new ATOM 0 HB3 ASP A 68 -25.361 -0.969 13.836 1.00 64.12 H new ATOM 1060 N GLU A 69 -25.139 -0.041 16.756 1.00 13.43 N ATOM 1061 CA GLU A 69 -25.676 -0.572 18.003 1.00 35.33 C ATOM 1062 C GLU A 69 -26.391 0.518 18.797 1.00 71.05 C ATOM 1063 O GLU A 69 -27.287 0.235 19.591 1.00 23.14 O ATOM 1064 CB GLU A 69 -24.556 -1.182 18.848 1.00 1.24 C ATOM 1065 CG GLU A 69 -23.810 -2.306 18.150 1.00 20.42 C ATOM 1066 CD GLU A 69 -22.386 -2.459 18.648 1.00 44.45 C ATOM 1067 OE1 GLU A 69 -22.200 -2.628 19.871 1.00 70.31 O ATOM 1068 OE2 GLU A 69 -21.457 -2.408 17.814 1.00 10.33 O ATOM 0 H GLU A 69 -24.130 -0.149 16.651 1.00 13.43 H new ATOM 0 HA GLU A 69 -26.399 -1.349 17.755 1.00 35.33 H new ATOM 0 HB2 GLU A 69 -23.847 -0.399 19.116 1.00 1.24 H new ATOM 0 HB3 GLU A 69 -24.979 -1.561 19.778 1.00 1.24 H new ATOM 0 HG2 GLU A 69 -24.347 -3.242 18.302 1.00 20.42 H new ATOM 0 HG3 GLU A 69 -23.797 -2.117 17.077 1.00 20.42 H new ATOM 1075 N GLU A 70 -25.987 1.765 18.574 1.00 31.20 N ATOM 1076 CA GLU A 70 -26.588 2.897 19.269 1.00 2.21 C ATOM 1077 C GLU A 70 -27.714 3.509 18.441 1.00 42.05 C ATOM 1078 O GLU A 70 -28.380 4.449 18.875 1.00 71.21 O ATOM 1079 CB GLU A 70 -25.528 3.959 19.572 1.00 31.41 C ATOM 1080 CG GLU A 70 -25.933 4.927 20.670 1.00 15.23 C ATOM 1081 CD GLU A 70 -26.112 4.245 22.013 1.00 43.40 C ATOM 1082 OE1 GLU A 70 -25.256 3.408 22.371 1.00 55.52 O ATOM 1083 OE2 GLU A 70 -27.106 4.548 22.706 1.00 44.15 O ATOM 0 H GLU A 70 -25.247 2.016 17.918 1.00 31.20 H new ATOM 0 HA GLU A 70 -27.007 2.533 20.207 1.00 2.21 H new ATOM 0 HB2 GLU A 70 -24.601 3.463 19.860 1.00 31.41 H new ATOM 0 HB3 GLU A 70 -25.319 4.522 18.662 1.00 31.41 H new ATOM 0 HG2 GLU A 70 -25.176 5.706 20.760 1.00 15.23 H new ATOM 0 HG3 GLU A 70 -26.864 5.419 20.390 1.00 15.23 H new ATOM 1090 N LYS A 71 -27.920 2.969 17.244 1.00 53.40 N ATOM 1091 CA LYS A 71 -28.965 3.460 16.353 1.00 71.20 C ATOM 1092 C LYS A 71 -30.287 2.748 16.621 1.00 13.14 C ATOM 1093 O LYS A 71 -31.344 3.187 16.167 1.00 11.11 O ATOM 1094 CB LYS A 71 -28.554 3.260 14.893 1.00 44.35 C ATOM 1095 CG LYS A 71 -29.628 3.664 13.897 1.00 22.34 C ATOM 1096 CD LYS A 71 -29.125 3.571 12.466 1.00 13.44 C ATOM 1097 CE LYS A 71 -28.739 2.146 12.102 1.00 54.00 C ATOM 1098 NZ LYS A 71 -28.170 2.059 10.729 1.00 42.42 N ATOM 0 H LYS A 71 -27.377 2.191 16.869 1.00 53.40 H new ATOM 0 HA LYS A 71 -29.100 4.525 16.544 1.00 71.20 H new ATOM 0 HB2 LYS A 71 -27.652 3.839 14.696 1.00 44.35 H new ATOM 0 HB3 LYS A 71 -28.301 2.211 14.736 1.00 44.35 H new ATOM 0 HG2 LYS A 71 -30.500 3.021 14.020 1.00 22.34 H new ATOM 0 HG3 LYS A 71 -29.952 4.684 14.104 1.00 22.34 H new ATOM 0 HD2 LYS A 71 -29.898 3.925 11.784 1.00 13.44 H new ATOM 0 HD3 LYS A 71 -28.263 4.226 12.339 1.00 13.44 H new ATOM 0 HE2 LYS A 71 -28.010 1.772 12.821 1.00 54.00 H new ATOM 0 HE3 LYS A 71 -29.616 1.503 12.173 1.00 54.00 H new ATOM 0 HZ1 LYS A 71 -28.428 1.146 10.304 1.00 42.42 H new ATOM 0 HZ2 LYS A 71 -28.550 2.832 10.146 1.00 42.42 H new ATOM 0 HZ3 LYS A 71 -27.134 2.138 10.777 1.00 42.42 H new ATOM 1112 N LYS A 72 -30.222 1.648 17.363 1.00 23.23 N ATOM 1113 CA LYS A 72 -31.413 0.876 17.695 1.00 15.13 C ATOM 1114 C LYS A 72 -32.346 1.677 18.598 1.00 53.10 C ATOM 1115 O LYS A 72 -33.538 1.824 18.326 1.00 40.05 O ATOM 1116 CB LYS A 72 -31.023 -0.434 18.382 1.00 24.33 C ATOM 1117 CG LYS A 72 -29.755 -1.058 17.825 1.00 22.45 C ATOM 1118 CD LYS A 72 -29.806 -1.168 16.311 1.00 71.52 C ATOM 1119 CE LYS A 72 -28.870 -2.252 15.799 1.00 61.33 C ATOM 1120 NZ LYS A 72 -29.412 -3.617 16.047 1.00 13.32 N ATOM 0 H LYS A 72 -29.355 1.271 17.746 1.00 23.23 H new ATOM 0 HA LYS A 72 -31.938 0.650 16.767 1.00 15.13 H new ATOM 0 HB2 LYS A 72 -30.890 -0.250 19.448 1.00 24.33 H new ATOM 0 HB3 LYS A 72 -31.843 -1.145 18.282 1.00 24.33 H new ATOM 0 HG2 LYS A 72 -28.894 -0.458 18.118 1.00 22.45 H new ATOM 0 HG3 LYS A 72 -29.615 -2.048 18.258 1.00 22.45 H new ATOM 0 HD2 LYS A 72 -30.826 -1.388 15.995 1.00 71.52 H new ATOM 0 HD3 LYS A 72 -29.534 -0.211 15.866 1.00 71.52 H new ATOM 0 HE2 LYS A 72 -28.706 -2.115 14.730 1.00 61.33 H new ATOM 0 HE3 LYS A 72 -27.900 -2.153 16.285 1.00 61.33 H new ATOM 0 HZ1 LYS A 72 -28.856 -4.314 15.512 1.00 13.32 H new ATOM 0 HZ2 LYS A 72 -29.354 -3.834 17.062 1.00 13.32 H new ATOM 0 HZ3 LYS A 72 -30.405 -3.657 15.740 1.00 13.32 H new ATOM 1134 N PRO A 73 -31.794 2.209 19.698 1.00 2.22 N ATOM 1135 CA PRO A 73 -32.559 3.006 20.662 1.00 43.10 C ATOM 1136 C PRO A 73 -32.972 4.360 20.096 1.00 53.22 C ATOM 1137 O PRO A 73 -33.838 5.038 20.651 1.00 62.34 O ATOM 1138 CB PRO A 73 -31.581 3.189 21.826 1.00 54.12 C ATOM 1139 CG PRO A 73 -30.231 3.062 21.210 1.00 1.10 C ATOM 1140 CD PRO A 73 -30.380 2.074 20.086 1.00 44.41 C ATOM 0 HA PRO A 73 -33.493 2.519 20.944 1.00 43.10 H new ATOM 0 HB2 PRO A 73 -31.709 4.161 22.302 1.00 54.12 H new ATOM 0 HB3 PRO A 73 -31.737 2.434 22.597 1.00 54.12 H new ATOM 0 HG2 PRO A 73 -29.879 4.025 20.839 1.00 1.10 H new ATOM 0 HG3 PRO A 73 -29.500 2.715 21.940 1.00 1.10 H new ATOM 0 HD2 PRO A 73 -29.712 2.305 19.256 1.00 44.41 H new ATOM 0 HD3 PRO A 73 -30.147 1.059 20.409 1.00 44.41 H new ATOM 1148 N TYR A 74 -32.349 4.749 18.989 1.00 72.52 N ATOM 1149 CA TYR A 74 -32.652 6.023 18.349 1.00 44.14 C ATOM 1150 C TYR A 74 -32.297 7.191 19.265 1.00 62.55 C ATOM 1151 O TYR A 74 -32.846 8.284 19.134 1.00 4.14 O ATOM 1152 CB TYR A 74 -34.132 6.089 17.970 1.00 11.11 C ATOM 1153 CG TYR A 74 -34.634 4.847 17.270 1.00 71.50 C ATOM 1154 CD1 TYR A 74 -34.072 4.426 16.071 1.00 42.22 C ATOM 1155 CD2 TYR A 74 -35.671 4.094 17.807 1.00 60.53 C ATOM 1156 CE1 TYR A 74 -34.528 3.292 15.427 1.00 25.11 C ATOM 1157 CE2 TYR A 74 -36.132 2.957 17.171 1.00 50.23 C ATOM 1158 CZ TYR A 74 -35.557 2.561 15.981 1.00 34.42 C ATOM 1159 OH TYR A 74 -36.015 1.430 15.344 1.00 42.11 O ATOM 0 H TYR A 74 -31.631 4.200 18.516 1.00 72.52 H new ATOM 0 HA TYR A 74 -32.049 6.098 17.444 1.00 44.14 H new ATOM 0 HB2 TYR A 74 -34.722 6.251 18.872 1.00 11.11 H new ATOM 0 HB3 TYR A 74 -34.295 6.951 17.323 1.00 11.11 H new ATOM 0 HD1 TYR A 74 -33.264 4.995 15.635 1.00 42.22 H new ATOM 0 HD2 TYR A 74 -36.124 4.403 18.737 1.00 60.53 H new ATOM 0 HE1 TYR A 74 -34.081 2.980 14.495 1.00 25.11 H new ATOM 0 HE2 TYR A 74 -36.938 2.382 17.603 1.00 50.23 H new ATOM 0 HH TYR A 74 -36.742 1.032 15.867 1.00 42.11 H new ATOM 1169 N GLU A 75 -31.374 6.948 20.191 1.00 52.44 N ATOM 1170 CA GLU A 75 -30.946 7.979 21.129 1.00 43.23 C ATOM 1171 C GLU A 75 -29.913 8.902 20.489 1.00 65.04 C ATOM 1172 O GLU A 75 -30.066 10.123 20.496 1.00 14.42 O ATOM 1173 CB GLU A 75 -30.363 7.341 22.391 1.00 24.31 C ATOM 1174 CG GLU A 75 -30.291 8.290 23.576 1.00 61.43 C ATOM 1175 CD GLU A 75 -31.649 8.837 23.967 1.00 14.54 C ATOM 1176 OE1 GLU A 75 -32.522 8.034 24.358 1.00 12.01 O ATOM 1177 OE2 GLU A 75 -31.840 10.069 23.883 1.00 31.42 O ATOM 0 H GLU A 75 -30.909 6.048 20.311 1.00 52.44 H new ATOM 0 HA GLU A 75 -31.819 8.572 21.400 1.00 43.23 H new ATOM 0 HB2 GLU A 75 -30.969 6.477 22.664 1.00 24.31 H new ATOM 0 HB3 GLU A 75 -29.362 6.971 22.171 1.00 24.31 H new ATOM 0 HG2 GLU A 75 -29.854 7.769 24.428 1.00 61.43 H new ATOM 0 HG3 GLU A 75 -29.626 9.119 23.333 1.00 61.43 H new ATOM 1184 N ARG A 76 -28.860 8.308 19.936 1.00 44.50 N ATOM 1185 CA ARG A 76 -27.800 9.076 19.293 1.00 1.21 C ATOM 1186 C ARG A 76 -28.241 9.565 17.916 1.00 21.45 C ATOM 1187 O ARG A 76 -28.126 10.749 17.601 1.00 63.50 O ATOM 1188 CB ARG A 76 -26.533 8.228 19.164 1.00 53.15 C ATOM 1189 CG ARG A 76 -25.592 8.354 20.350 1.00 1.12 C ATOM 1190 CD ARG A 76 -25.045 9.767 20.480 1.00 14.22 C ATOM 1191 NE ARG A 76 -23.883 9.826 21.363 1.00 74.42 N ATOM 1192 CZ ARG A 76 -23.958 9.714 22.684 1.00 0.44 C ATOM 1193 NH1 ARG A 76 -25.133 9.539 23.273 1.00 51.30 N ATOM 1194 NH2 ARG A 76 -22.855 9.778 23.420 1.00 35.30 N ATOM 0 H ARG A 76 -28.718 7.298 19.920 1.00 44.50 H new ATOM 0 HA ARG A 76 -27.586 9.944 19.916 1.00 1.21 H new ATOM 0 HB2 ARG A 76 -26.817 7.182 19.046 1.00 53.15 H new ATOM 0 HB3 ARG A 76 -26.002 8.519 18.257 1.00 53.15 H new ATOM 0 HG2 ARG A 76 -26.119 8.081 21.264 1.00 1.12 H new ATOM 0 HG3 ARG A 76 -24.766 7.652 20.237 1.00 1.12 H new ATOM 0 HD2 ARG A 76 -24.770 10.141 19.494 1.00 14.22 H new ATOM 0 HD3 ARG A 76 -25.826 10.424 20.864 1.00 14.22 H new ATOM 0 HE ARG A 76 -22.964 9.961 20.942 1.00 74.42 H new ATOM 0 HH11 ARG A 76 -25.983 9.490 22.711 1.00 51.30 H new ATOM 0 HH12 ARG A 76 -25.187 9.453 24.288 1.00 51.30 H new ATOM 0 HH21 ARG A 76 -21.949 9.913 22.971 1.00 35.30 H new ATOM 0 HH22 ARG A 76 -22.913 9.692 24.435 1.00 35.30 H new ATOM 1208 N MET A 77 -28.746 8.644 17.101 1.00 4.24 N ATOM 1209 CA MET A 77 -29.204 8.982 15.759 1.00 73.31 C ATOM 1210 C MET A 77 -30.151 10.177 15.792 1.00 35.15 C ATOM 1211 O MET A 77 -29.991 11.130 15.030 1.00 24.12 O ATOM 1212 CB MET A 77 -29.903 7.781 15.118 1.00 24.44 C ATOM 1213 CG MET A 77 -30.742 8.142 13.903 1.00 4.15 C ATOM 1214 SD MET A 77 -31.628 6.726 13.225 1.00 13.24 S ATOM 1215 CE MET A 77 -30.688 6.421 11.732 1.00 4.01 C ATOM 0 H MET A 77 -28.848 7.659 17.347 1.00 4.24 H new ATOM 0 HA MET A 77 -28.332 9.248 15.161 1.00 73.31 H new ATOM 0 HB2 MET A 77 -29.152 7.048 14.825 1.00 24.44 H new ATOM 0 HB3 MET A 77 -30.542 7.304 15.861 1.00 24.44 H new ATOM 0 HG2 MET A 77 -31.458 8.916 14.178 1.00 4.15 H new ATOM 0 HG3 MET A 77 -30.096 8.564 13.133 1.00 4.15 H new ATOM 0 HE1 MET A 77 -31.126 5.582 11.191 1.00 4.01 H new ATOM 0 HE2 MET A 77 -30.708 7.310 11.101 1.00 4.01 H new ATOM 0 HE3 MET A 77 -29.656 6.185 11.993 1.00 4.01 H new ATOM 1225 N SER A 78 -31.139 10.119 16.680 1.00 1.14 N ATOM 1226 CA SER A 78 -32.114 11.195 16.810 1.00 54.20 C ATOM 1227 C SER A 78 -31.455 12.465 17.340 1.00 51.13 C ATOM 1228 O SER A 78 -31.632 13.549 16.783 1.00 74.55 O ATOM 1229 CB SER A 78 -33.252 10.771 17.741 1.00 52.43 C ATOM 1230 OG SER A 78 -34.310 11.713 17.714 1.00 15.52 O ATOM 0 H SER A 78 -31.285 9.338 17.320 1.00 1.14 H new ATOM 0 HA SER A 78 -32.522 11.404 15.821 1.00 54.20 H new ATOM 0 HB2 SER A 78 -33.625 9.792 17.442 1.00 52.43 H new ATOM 0 HB3 SER A 78 -32.875 10.671 18.759 1.00 52.43 H new ATOM 0 HG SER A 78 -35.025 11.419 18.316 1.00 15.52 H new ATOM 1236 N ASP A 79 -30.694 12.323 18.419 1.00 32.32 N ATOM 1237 CA ASP A 79 -30.007 13.457 19.025 1.00 2.21 C ATOM 1238 C ASP A 79 -29.052 14.109 18.029 1.00 15.24 C ATOM 1239 O ASP A 79 -28.651 15.259 18.203 1.00 51.43 O ATOM 1240 CB ASP A 79 -29.238 13.010 20.269 1.00 21.33 C ATOM 1241 CG ASP A 79 -30.142 12.823 21.472 1.00 24.41 C ATOM 1242 OD1 ASP A 79 -31.367 13.017 21.330 1.00 72.32 O ATOM 1243 OD2 ASP A 79 -29.623 12.481 22.556 1.00 53.15 O ATOM 0 H ASP A 79 -30.537 11.433 18.892 1.00 32.32 H new ATOM 0 HA ASP A 79 -30.758 14.191 19.316 1.00 2.21 H new ATOM 0 HB2 ASP A 79 -28.722 12.074 20.057 1.00 21.33 H new ATOM 0 HB3 ASP A 79 -28.473 13.749 20.505 1.00 21.33 H new ATOM 1248 N GLU A 80 -28.693 13.365 16.988 1.00 51.52 N ATOM 1249 CA GLU A 80 -27.784 13.872 15.966 1.00 73.41 C ATOM 1250 C GLU A 80 -28.366 15.106 15.283 1.00 35.11 C ATOM 1251 O GLU A 80 -27.651 15.856 14.618 1.00 14.15 O ATOM 1252 CB GLU A 80 -27.497 12.787 14.925 1.00 1.42 C ATOM 1253 CG GLU A 80 -26.357 13.135 13.983 1.00 43.10 C ATOM 1254 CD GLU A 80 -26.423 12.366 12.678 1.00 70.30 C ATOM 1255 OE1 GLU A 80 -27.530 11.924 12.306 1.00 35.12 O ATOM 1256 OE2 GLU A 80 -25.368 12.205 12.029 1.00 55.20 O ATOM 0 H GLU A 80 -29.017 12.411 16.830 1.00 51.52 H new ATOM 0 HA GLU A 80 -26.851 14.155 16.454 1.00 73.41 H new ATOM 0 HB2 GLU A 80 -27.261 11.855 15.439 1.00 1.42 H new ATOM 0 HB3 GLU A 80 -28.399 12.609 14.340 1.00 1.42 H new ATOM 0 HG2 GLU A 80 -26.379 14.204 13.772 1.00 43.10 H new ATOM 0 HG3 GLU A 80 -25.407 12.927 14.476 1.00 43.10 H new ATOM 1263 N ASP A 81 -29.668 15.309 15.452 1.00 54.03 N ATOM 1264 CA ASP A 81 -30.348 16.452 14.853 1.00 62.03 C ATOM 1265 C ASP A 81 -29.590 17.745 15.137 1.00 22.11 C ATOM 1266 O ASP A 81 -29.622 18.683 14.340 1.00 23.22 O ATOM 1267 CB ASP A 81 -31.778 16.558 15.383 1.00 34.43 C ATOM 1268 CG ASP A 81 -32.396 17.916 15.117 1.00 40.14 C ATOM 1269 OD1 ASP A 81 -32.912 18.124 13.999 1.00 73.52 O ATOM 1270 OD2 ASP A 81 -32.362 18.772 16.025 1.00 13.44 O ATOM 0 H ASP A 81 -30.274 14.697 15.999 1.00 54.03 H new ATOM 0 HA ASP A 81 -30.380 16.300 13.774 1.00 62.03 H new ATOM 0 HB2 ASP A 81 -32.392 15.786 14.920 1.00 34.43 H new ATOM 0 HB3 ASP A 81 -31.780 16.365 16.456 1.00 34.43 H new ATOM 1275 N ARG A 82 -28.910 17.788 16.278 1.00 30.53 N ATOM 1276 CA ARG A 82 -28.146 18.966 16.669 1.00 50.21 C ATOM 1277 C ARG A 82 -26.750 18.938 16.053 1.00 31.13 C ATOM 1278 O ARG A 82 -26.392 19.809 15.261 1.00 43.12 O ATOM 1279 CB ARG A 82 -28.041 19.050 18.193 1.00 54.52 C ATOM 1280 CG ARG A 82 -27.054 20.099 18.678 1.00 11.04 C ATOM 1281 CD ARG A 82 -27.477 21.499 18.261 1.00 75.41 C ATOM 1282 NE ARG A 82 -28.663 21.950 18.984 1.00 13.30 N ATOM 1283 CZ ARG A 82 -29.261 23.115 18.760 1.00 12.12 C ATOM 1284 NH1 ARG A 82 -28.787 23.941 17.838 1.00 3.20 N ATOM 1285 NH2 ARG A 82 -30.336 23.455 19.459 1.00 15.52 N ATOM 0 H ARG A 82 -28.873 17.020 16.948 1.00 30.53 H new ATOM 0 HA ARG A 82 -28.670 19.847 16.299 1.00 50.21 H new ATOM 0 HB2 ARG A 82 -29.026 19.272 18.605 1.00 54.52 H new ATOM 0 HB3 ARG A 82 -27.744 18.076 18.583 1.00 54.52 H new ATOM 0 HG2 ARG A 82 -26.974 20.050 19.764 1.00 11.04 H new ATOM 0 HG3 ARG A 82 -26.064 19.882 18.276 1.00 11.04 H new ATOM 0 HD2 ARG A 82 -26.657 22.194 18.440 1.00 75.41 H new ATOM 0 HD3 ARG A 82 -27.678 21.513 17.190 1.00 75.41 H new ATOM 0 HE ARG A 82 -29.053 21.337 19.700 1.00 13.30 H new ATOM 0 HH11 ARG A 82 -27.961 23.683 17.298 1.00 3.20 H new ATOM 0 HH12 ARG A 82 -29.248 24.835 17.668 1.00 3.20 H new ATOM 0 HH21 ARG A 82 -30.704 22.822 20.169 1.00 15.52 H new ATOM 0 HH22 ARG A 82 -30.795 24.350 19.286 1.00 15.52 H new ATOM 1299 N VAL A 83 -25.966 17.931 16.424 1.00 23.31 N ATOM 1300 CA VAL A 83 -24.609 17.788 15.908 1.00 14.14 C ATOM 1301 C VAL A 83 -24.598 17.789 14.384 1.00 52.41 C ATOM 1302 O VAL A 83 -23.582 18.097 13.761 1.00 61.12 O ATOM 1303 CB VAL A 83 -23.950 16.492 16.415 1.00 61.43 C ATOM 1304 CG1 VAL A 83 -24.056 16.394 17.929 1.00 52.31 C ATOM 1305 CG2 VAL A 83 -24.581 15.278 15.749 1.00 43.25 C ATOM 0 H VAL A 83 -26.247 17.202 17.080 1.00 23.31 H new ATOM 0 HA VAL A 83 -24.039 18.643 16.273 1.00 14.14 H new ATOM 0 HB VAL A 83 -22.893 16.516 16.150 1.00 61.43 H new ATOM 0 HG11 VAL A 83 -23.585 15.471 18.268 1.00 52.31 H new ATOM 0 HG12 VAL A 83 -23.553 17.247 18.385 1.00 52.31 H new ATOM 0 HG13 VAL A 83 -25.106 16.393 18.221 1.00 52.31 H new ATOM 0 HG21 VAL A 83 -24.103 14.371 16.119 1.00 43.25 H new ATOM 0 HG22 VAL A 83 -25.646 15.248 15.981 1.00 43.25 H new ATOM 0 HG23 VAL A 83 -24.447 15.344 14.669 1.00 43.25 H new ATOM 1315 N ARG A 84 -25.735 17.444 13.789 1.00 72.20 N ATOM 1316 CA ARG A 84 -25.856 17.404 12.337 1.00 53.34 C ATOM 1317 C ARG A 84 -25.310 18.684 11.710 1.00 23.05 C ATOM 1318 O ARG A 84 -24.750 18.661 10.614 1.00 73.21 O ATOM 1319 CB ARG A 84 -27.318 17.209 11.931 1.00 53.34 C ATOM 1320 CG ARG A 84 -27.548 17.278 10.430 1.00 41.13 C ATOM 1321 CD ARG A 84 -28.886 16.667 10.042 1.00 4.52 C ATOM 1322 NE ARG A 84 -30.011 17.458 10.533 1.00 40.52 N ATOM 1323 CZ ARG A 84 -31.281 17.093 10.397 1.00 42.01 C ATOM 1324 NH1 ARG A 84 -31.585 15.955 9.789 1.00 71.31 N ATOM 1325 NH2 ARG A 84 -32.249 17.867 10.870 1.00 34.31 N ATOM 0 H ARG A 84 -26.586 17.188 14.290 1.00 72.20 H new ATOM 0 HA ARG A 84 -25.269 16.561 11.972 1.00 53.34 H new ATOM 0 HB2 ARG A 84 -27.662 16.242 12.299 1.00 53.34 H new ATOM 0 HB3 ARG A 84 -27.926 17.971 12.419 1.00 53.34 H new ATOM 0 HG2 ARG A 84 -27.513 18.317 10.103 1.00 41.13 H new ATOM 0 HG3 ARG A 84 -26.744 16.754 9.913 1.00 41.13 H new ATOM 0 HD2 ARG A 84 -28.946 16.585 8.957 1.00 4.52 H new ATOM 0 HD3 ARG A 84 -28.952 15.655 10.442 1.00 4.52 H new ATOM 0 HE ARG A 84 -29.811 18.339 11.006 1.00 40.52 H new ATOM 0 HH11 ARG A 84 -30.843 15.358 9.424 1.00 71.31 H new ATOM 0 HH12 ARG A 84 -32.561 15.677 9.686 1.00 71.31 H new ATOM 0 HH21 ARG A 84 -32.018 18.743 11.339 1.00 34.31 H new ATOM 0 HH22 ARG A 84 -33.224 17.586 10.765 1.00 34.31 H new ATOM 1339 N TYR A 85 -25.476 19.798 12.414 1.00 51.30 N ATOM 1340 CA TYR A 85 -25.002 21.088 11.926 1.00 14.11 C ATOM 1341 C TYR A 85 -23.485 21.085 11.763 1.00 14.11 C ATOM 1342 O TYR A 85 -22.956 21.589 10.773 1.00 12.33 O ATOM 1343 CB TYR A 85 -25.421 22.205 12.884 1.00 34.40 C ATOM 1344 CG TYR A 85 -26.874 22.604 12.750 1.00 25.13 C ATOM 1345 CD1 TYR A 85 -27.340 23.229 11.600 1.00 3.15 C ATOM 1346 CD2 TYR A 85 -27.780 22.355 13.774 1.00 63.02 C ATOM 1347 CE1 TYR A 85 -28.665 23.596 11.475 1.00 54.45 C ATOM 1348 CE2 TYR A 85 -29.108 22.717 13.656 1.00 43.40 C ATOM 1349 CZ TYR A 85 -29.545 23.338 12.505 1.00 55.23 C ATOM 1350 OH TYR A 85 -30.867 23.701 12.383 1.00 52.25 O ATOM 0 H TYR A 85 -25.935 19.834 13.324 1.00 51.30 H new ATOM 0 HA TYR A 85 -25.454 21.267 10.950 1.00 14.11 H new ATOM 0 HB2 TYR A 85 -25.234 21.883 13.908 1.00 34.40 H new ATOM 0 HB3 TYR A 85 -24.795 23.079 12.706 1.00 34.40 H new ATOM 0 HD1 TYR A 85 -26.654 23.431 10.790 1.00 3.15 H new ATOM 0 HD2 TYR A 85 -27.440 21.870 14.677 1.00 63.02 H new ATOM 0 HE1 TYR A 85 -29.011 24.083 10.575 1.00 54.45 H new ATOM 0 HE2 TYR A 85 -29.800 22.515 14.460 1.00 43.40 H new ATOM 0 HH TYR A 85 -31.352 23.447 13.196 1.00 52.25 H new ATOM 1360 N GLU A 86 -22.793 20.512 12.743 1.00 43.44 N ATOM 1361 CA GLU A 86 -21.337 20.443 12.708 1.00 5.52 C ATOM 1362 C GLU A 86 -20.867 19.277 11.843 1.00 53.41 C ATOM 1363 O GLU A 86 -19.813 19.345 11.210 1.00 14.11 O ATOM 1364 CB GLU A 86 -20.777 20.299 14.125 1.00 31.11 C ATOM 1365 CG GLU A 86 -21.444 21.213 15.139 1.00 33.11 C ATOM 1366 CD GLU A 86 -21.539 22.648 14.658 1.00 63.21 C ATOM 1367 OE1 GLU A 86 -20.586 23.116 14.000 1.00 3.13 O ATOM 1368 OE2 GLU A 86 -22.564 23.302 14.939 1.00 53.13 O ATOM 0 H GLU A 86 -23.216 20.090 13.569 1.00 43.44 H new ATOM 0 HA GLU A 86 -20.966 21.370 12.270 1.00 5.52 H new ATOM 0 HB2 GLU A 86 -20.893 19.265 14.449 1.00 31.11 H new ATOM 0 HB3 GLU A 86 -19.708 20.509 14.107 1.00 31.11 H new ATOM 0 HG2 GLU A 86 -22.445 20.840 15.356 1.00 33.11 H new ATOM 0 HG3 GLU A 86 -20.883 21.183 16.073 1.00 33.11 H new ATOM 1375 N ARG A 87 -21.657 18.209 11.821 1.00 31.25 N ATOM 1376 CA ARG A 87 -21.322 17.027 11.036 1.00 14.10 C ATOM 1377 C ARG A 87 -21.292 17.355 9.546 1.00 10.21 C ATOM 1378 O ARG A 87 -20.353 16.989 8.840 1.00 52.42 O ATOM 1379 CB ARG A 87 -22.332 15.909 11.302 1.00 22.24 C ATOM 1380 CG ARG A 87 -22.122 14.679 10.434 1.00 51.44 C ATOM 1381 CD ARG A 87 -23.111 14.638 9.279 1.00 31.22 C ATOM 1382 NE ARG A 87 -22.900 13.476 8.420 1.00 55.14 N ATOM 1383 CZ ARG A 87 -21.937 13.401 7.508 1.00 1.23 C ATOM 1384 NH1 ARG A 87 -21.100 14.415 7.339 1.00 4.22 N ATOM 1385 NH2 ARG A 87 -21.809 12.310 6.764 1.00 12.02 N ATOM 0 H ARG A 87 -22.534 18.138 12.338 1.00 31.25 H new ATOM 0 HA ARG A 87 -20.330 16.691 11.337 1.00 14.10 H new ATOM 0 HB2 ARG A 87 -22.271 15.618 12.351 1.00 22.24 H new ATOM 0 HB3 ARG A 87 -23.338 16.293 11.136 1.00 22.24 H new ATOM 0 HG2 ARG A 87 -21.104 14.677 10.044 1.00 51.44 H new ATOM 0 HG3 ARG A 87 -22.232 13.780 11.041 1.00 51.44 H new ATOM 0 HD2 ARG A 87 -24.127 14.618 9.672 1.00 31.22 H new ATOM 0 HD3 ARG A 87 -23.016 15.548 8.687 1.00 31.22 H new ATOM 0 HE ARG A 87 -23.526 12.678 8.526 1.00 55.14 H new ATOM 0 HH11 ARG A 87 -21.195 15.255 7.910 1.00 4.22 H new ATOM 0 HH12 ARG A 87 -20.361 14.355 6.638 1.00 4.22 H new ATOM 0 HH21 ARG A 87 -22.451 11.527 6.892 1.00 12.02 H new ATOM 0 HH22 ARG A 87 -21.069 12.254 6.064 1.00 12.02 H new ATOM 1399 N GLU A 88 -22.326 18.047 9.076 1.00 22.54 N ATOM 1400 CA GLU A 88 -22.417 18.422 7.670 1.00 12.24 C ATOM 1401 C GLU A 88 -21.169 19.181 7.228 1.00 72.43 C ATOM 1402 O GLU A 88 -20.802 19.164 6.053 1.00 72.45 O ATOM 1403 CB GLU A 88 -23.661 19.280 7.428 1.00 31.44 C ATOM 1404 CG GLU A 88 -23.845 19.689 5.977 1.00 52.02 C ATOM 1405 CD GLU A 88 -25.029 20.616 5.778 1.00 62.23 C ATOM 1406 OE1 GLU A 88 -25.530 21.161 6.783 1.00 1.52 O ATOM 1407 OE2 GLU A 88 -25.454 20.795 4.617 1.00 1.44 O ATOM 0 H GLU A 88 -23.111 18.359 9.648 1.00 22.54 H new ATOM 0 HA GLU A 88 -22.494 17.508 7.081 1.00 12.24 H new ATOM 0 HB2 GLU A 88 -24.542 18.728 7.756 1.00 31.44 H new ATOM 0 HB3 GLU A 88 -23.599 20.177 8.044 1.00 31.44 H new ATOM 0 HG2 GLU A 88 -22.939 20.182 5.625 1.00 52.02 H new ATOM 0 HG3 GLU A 88 -23.980 18.796 5.366 1.00 52.02 H new ATOM 1414 N LYS A 89 -20.521 19.846 8.177 1.00 2.42 N ATOM 1415 CA LYS A 89 -19.314 20.611 7.888 1.00 44.31 C ATOM 1416 C LYS A 89 -18.286 19.751 7.160 1.00 24.34 C ATOM 1417 O LYS A 89 -17.687 20.182 6.176 1.00 60.05 O ATOM 1418 CB LYS A 89 -18.710 21.160 9.183 1.00 52.01 C ATOM 1419 CG LYS A 89 -18.091 22.538 9.029 1.00 44.21 C ATOM 1420 CD LYS A 89 -19.113 23.638 9.261 1.00 42.20 C ATOM 1421 CE LYS A 89 -19.805 24.038 7.967 1.00 72.30 C ATOM 1422 NZ LYS A 89 -20.156 25.485 7.950 1.00 72.24 N ATOM 0 H LYS A 89 -20.812 19.871 9.154 1.00 2.42 H new ATOM 0 HA LYS A 89 -19.589 21.444 7.241 1.00 44.31 H new ATOM 0 HB2 LYS A 89 -19.487 21.203 9.947 1.00 52.01 H new ATOM 0 HB3 LYS A 89 -17.949 20.467 9.541 1.00 52.01 H new ATOM 0 HG2 LYS A 89 -17.269 22.649 9.736 1.00 44.21 H new ATOM 0 HG3 LYS A 89 -17.668 22.638 8.029 1.00 44.21 H new ATOM 0 HD2 LYS A 89 -19.856 23.299 9.983 1.00 42.20 H new ATOM 0 HD3 LYS A 89 -18.620 24.508 9.695 1.00 42.20 H new ATOM 0 HE2 LYS A 89 -19.154 23.812 7.122 1.00 72.30 H new ATOM 0 HE3 LYS A 89 -20.710 23.443 7.840 1.00 72.30 H new ATOM 0 HZ1 LYS A 89 -20.626 25.718 7.052 1.00 72.24 H new ATOM 0 HZ2 LYS A 89 -20.797 25.696 8.741 1.00 72.24 H new ATOM 0 HZ3 LYS A 89 -19.290 26.053 8.045 1.00 72.24 H new ATOM 1436 N ALA A 90 -18.087 18.532 7.651 1.00 33.33 N ATOM 1437 CA ALA A 90 -17.134 17.610 7.045 1.00 35.14 C ATOM 1438 C ALA A 90 -17.377 17.477 5.546 1.00 71.22 C ATOM 1439 O ALA A 90 -16.450 17.598 4.745 1.00 34.14 O ATOM 1440 CB ALA A 90 -17.217 16.248 7.718 1.00 30.24 C ATOM 0 H ALA A 90 -18.573 18.160 8.467 1.00 33.33 H new ATOM 0 HA ALA A 90 -16.132 18.014 7.190 1.00 35.14 H new ATOM 0 HB1 ALA A 90 -16.500 15.569 7.256 1.00 30.24 H new ATOM 0 HB2 ALA A 90 -16.987 16.352 8.778 1.00 30.24 H new ATOM 0 HB3 ALA A 90 -18.224 15.846 7.603 1.00 30.24 H new ATOM 1446 N GLU A 91 -18.628 17.226 5.173 1.00 14.23 N ATOM 1447 CA GLU A 91 -18.991 17.075 3.769 1.00 41.20 C ATOM 1448 C GLU A 91 -18.943 18.419 3.047 1.00 31.22 C ATOM 1449 O GLU A 91 -18.775 18.476 1.829 1.00 75.43 O ATOM 1450 CB GLU A 91 -20.389 16.465 3.643 1.00 44.52 C ATOM 1451 CG GLU A 91 -20.430 14.973 3.926 1.00 4.34 C ATOM 1452 CD GLU A 91 -20.276 14.136 2.671 1.00 13.52 C ATOM 1453 OE1 GLU A 91 -19.880 14.699 1.629 1.00 71.12 O ATOM 1454 OE2 GLU A 91 -20.553 12.920 2.731 1.00 44.32 O ATOM 0 H GLU A 91 -19.407 17.123 5.823 1.00 14.23 H new ATOM 0 HA GLU A 91 -18.268 16.406 3.303 1.00 41.20 H new ATOM 0 HB2 GLU A 91 -21.062 16.975 4.332 1.00 44.52 H new ATOM 0 HB3 GLU A 91 -20.766 16.646 2.636 1.00 44.52 H new ATOM 0 HG2 GLU A 91 -19.636 14.718 4.628 1.00 4.34 H new ATOM 0 HG3 GLU A 91 -21.375 14.725 4.410 1.00 4.34 H new ATOM 1461 N TYR A 92 -19.092 19.498 3.808 1.00 70.43 N ATOM 1462 CA TYR A 92 -19.069 20.841 3.241 1.00 11.04 C ATOM 1463 C TYR A 92 -17.650 21.244 2.852 1.00 71.11 C ATOM 1464 O TYR A 92 -17.368 21.516 1.685 1.00 33.13 O ATOM 1465 CB TYR A 92 -19.641 21.848 4.241 1.00 40.24 C ATOM 1466 CG TYR A 92 -19.986 23.184 3.623 1.00 14.40 C ATOM 1467 CD1 TYR A 92 -18.993 24.104 3.309 1.00 31.00 C ATOM 1468 CD2 TYR A 92 -21.306 23.528 3.354 1.00 25.25 C ATOM 1469 CE1 TYR A 92 -19.304 25.326 2.745 1.00 1.43 C ATOM 1470 CE2 TYR A 92 -21.625 24.747 2.790 1.00 54.24 C ATOM 1471 CZ TYR A 92 -20.621 25.643 2.487 1.00 12.11 C ATOM 1472 OH TYR A 92 -20.936 26.859 1.926 1.00 41.44 O ATOM 0 H TYR A 92 -19.230 19.469 4.818 1.00 70.43 H new ATOM 0 HA TYR A 92 -19.686 20.840 2.342 1.00 11.04 H new ATOM 0 HB2 TYR A 92 -20.536 21.426 4.697 1.00 40.24 H new ATOM 0 HB3 TYR A 92 -18.918 22.003 5.042 1.00 40.24 H new ATOM 0 HD1 TYR A 92 -17.960 23.859 3.509 1.00 31.00 H new ATOM 0 HD2 TYR A 92 -22.095 22.830 3.590 1.00 25.25 H new ATOM 0 HE1 TYR A 92 -18.520 26.029 2.507 1.00 1.43 H new ATOM 0 HE2 TYR A 92 -22.656 24.998 2.587 1.00 54.24 H new ATOM 0 HH TYR A 92 -21.907 26.923 1.809 1.00 41.44 H new ATOM 1482 N ALA A 93 -16.760 21.279 3.838 1.00 32.13 N ATOM 1483 CA ALA A 93 -15.370 21.645 3.600 1.00 43.51 C ATOM 1484 C ALA A 93 -14.702 20.669 2.637 1.00 1.43 C ATOM 1485 O ALA A 93 -13.662 20.974 2.054 1.00 60.52 O ATOM 1486 CB ALA A 93 -14.605 21.700 4.914 1.00 34.55 C ATOM 0 H ALA A 93 -16.977 21.058 4.810 1.00 32.13 H new ATOM 0 HA ALA A 93 -15.355 22.634 3.142 1.00 43.51 H new ATOM 0 HB1 ALA A 93 -13.568 21.975 4.720 1.00 34.55 H new ATOM 0 HB2 ALA A 93 -15.061 22.442 5.569 1.00 34.55 H new ATOM 0 HB3 ALA A 93 -14.638 20.722 5.395 1.00 34.55 H new ATOM 1492 N GLN A 94 -15.306 19.496 2.477 1.00 12.53 N ATOM 1493 CA GLN A 94 -14.768 18.476 1.586 1.00 20.30 C ATOM 1494 C GLN A 94 -14.618 19.016 0.168 1.00 73.45 C ATOM 1495 O GLN A 94 -13.513 19.070 -0.373 1.00 14.32 O ATOM 1496 CB GLN A 94 -15.674 17.243 1.582 1.00 24.13 C ATOM 1497 CG GLN A 94 -15.234 16.162 2.556 1.00 22.05 C ATOM 1498 CD GLN A 94 -14.350 15.115 1.907 1.00 55.21 C ATOM 1499 OE1 GLN A 94 -14.034 15.203 0.720 1.00 2.12 O ATOM 1500 NE2 GLN A 94 -13.947 14.116 2.683 1.00 0.22 N ATOM 0 H GLN A 94 -16.168 19.229 2.953 1.00 12.53 H new ATOM 0 HA GLN A 94 -13.782 18.192 1.953 1.00 20.30 H new ATOM 0 HB2 GLN A 94 -16.691 17.549 1.827 1.00 24.13 H new ATOM 0 HB3 GLN A 94 -15.700 16.825 0.576 1.00 24.13 H new ATOM 0 HG2 GLN A 94 -14.696 16.622 3.385 1.00 22.05 H new ATOM 0 HG3 GLN A 94 -16.115 15.678 2.977 1.00 22.05 H new ATOM 0 HE21 GLN A 94 -14.233 14.083 3.662 1.00 0.22 H new ATOM 0 HE22 GLN A 94 -13.351 13.382 2.301 1.00 0.22 H new ATOM 1509 N ARG A 95 -15.737 19.413 -0.430 1.00 62.22 N ATOM 1510 CA ARG A 95 -15.730 19.947 -1.787 1.00 21.13 C ATOM 1511 C ARG A 95 -14.825 21.171 -1.884 1.00 42.53 C ATOM 1512 O ARG A 95 -14.315 21.497 -2.957 1.00 32.21 O ATOM 1513 CB ARG A 95 -17.150 20.314 -2.221 1.00 34.45 C ATOM 1514 CG ARG A 95 -17.342 20.329 -3.728 1.00 61.03 C ATOM 1515 CD ARG A 95 -18.631 21.034 -4.119 1.00 35.02 C ATOM 1516 NE ARG A 95 -19.781 20.133 -4.082 1.00 5.32 N ATOM 1517 CZ ARG A 95 -20.985 20.459 -4.538 1.00 2.20 C ATOM 1518 NH1 ARG A 95 -21.196 21.658 -5.063 1.00 51.05 N ATOM 1519 NH2 ARG A 95 -21.981 19.585 -4.469 1.00 65.15 N ATOM 0 H ARG A 95 -16.659 19.375 0.004 1.00 62.22 H new ATOM 0 HA ARG A 95 -15.342 19.176 -2.452 1.00 21.13 H new ATOM 0 HB2 ARG A 95 -17.850 19.604 -1.781 1.00 34.45 H new ATOM 0 HB3 ARG A 95 -17.400 21.297 -1.822 1.00 34.45 H new ATOM 0 HG2 ARG A 95 -16.496 20.829 -4.199 1.00 61.03 H new ATOM 0 HG3 ARG A 95 -17.357 19.306 -4.104 1.00 61.03 H new ATOM 0 HD2 ARG A 95 -18.805 21.872 -3.444 1.00 35.02 H new ATOM 0 HD3 ARG A 95 -18.528 21.449 -5.122 1.00 35.02 H new ATOM 0 HE ARG A 95 -19.652 19.203 -3.684 1.00 5.32 H new ATOM 0 HH11 ARG A 95 -20.433 22.332 -5.117 1.00 51.05 H new ATOM 0 HH12 ARG A 95 -22.122 21.906 -5.413 1.00 51.05 H new ATOM 0 HH21 ARG A 95 -21.822 18.662 -4.065 1.00 65.15 H new ATOM 0 HH22 ARG A 95 -22.905 19.836 -4.819 1.00 65.15 H new ATOM 1533 N LYS A 96 -14.629 21.848 -0.757 1.00 74.43 N ATOM 1534 CA LYS A 96 -13.786 23.036 -0.714 1.00 24.11 C ATOM 1535 C LYS A 96 -12.316 22.666 -0.888 1.00 0.44 C ATOM 1536 O LYS A 96 -11.472 23.530 -1.128 1.00 55.31 O ATOM 1537 CB LYS A 96 -13.983 23.778 0.610 1.00 43.43 C ATOM 1538 CG LYS A 96 -15.437 24.080 0.927 1.00 51.40 C ATOM 1539 CD LYS A 96 -15.987 25.178 0.031 1.00 31.50 C ATOM 1540 CE LYS A 96 -16.684 24.601 -1.192 1.00 42.32 C ATOM 1541 NZ LYS A 96 -16.583 25.511 -2.367 1.00 75.53 N ATOM 0 H LYS A 96 -15.043 21.593 0.139 1.00 74.43 H new ATOM 0 HA LYS A 96 -14.078 23.689 -1.536 1.00 24.11 H new ATOM 0 HB2 LYS A 96 -13.560 23.181 1.418 1.00 43.43 H new ATOM 0 HB3 LYS A 96 -13.425 24.714 0.579 1.00 43.43 H new ATOM 0 HG2 LYS A 96 -16.033 23.176 0.803 1.00 51.40 H new ATOM 0 HG3 LYS A 96 -15.528 24.381 1.971 1.00 51.40 H new ATOM 0 HD2 LYS A 96 -16.689 25.792 0.595 1.00 31.50 H new ATOM 0 HD3 LYS A 96 -15.174 25.832 -0.286 1.00 31.50 H new ATOM 0 HE2 LYS A 96 -16.242 23.636 -1.441 1.00 42.32 H new ATOM 0 HE3 LYS A 96 -17.734 24.421 -0.961 1.00 42.32 H new ATOM 0 HZ1 LYS A 96 -17.070 25.083 -3.180 1.00 75.53 H new ATOM 0 HZ2 LYS A 96 -17.027 26.423 -2.139 1.00 75.53 H new ATOM 0 HZ3 LYS A 96 -15.582 25.663 -2.604 1.00 75.53 H new ATOM 1555 N VAL A 97 -12.016 21.377 -0.766 1.00 12.12 N ATOM 1556 CA VAL A 97 -10.649 20.893 -0.912 1.00 43.00 C ATOM 1557 C VAL A 97 -10.022 21.400 -2.206 1.00 62.31 C ATOM 1558 O VAL A 97 -8.965 22.031 -2.191 1.00 13.15 O ATOM 1559 CB VAL A 97 -10.593 19.354 -0.896 1.00 33.11 C ATOM 1560 CG1 VAL A 97 -11.241 18.783 -2.148 1.00 70.02 C ATOM 1561 CG2 VAL A 97 -9.156 18.874 -0.763 1.00 42.22 C ATOM 0 H VAL A 97 -12.702 20.649 -0.566 1.00 12.12 H new ATOM 0 HA VAL A 97 -10.085 21.278 -0.063 1.00 43.00 H new ATOM 0 HB VAL A 97 -11.152 18.997 -0.031 1.00 33.11 H new ATOM 0 HG11 VAL A 97 -11.192 17.694 -2.119 1.00 70.02 H new ATOM 0 HG12 VAL A 97 -12.283 19.098 -2.194 1.00 70.02 H new ATOM 0 HG13 VAL A 97 -10.713 19.147 -3.029 1.00 70.02 H new ATOM 0 HG21 VAL A 97 -9.136 17.784 -0.753 1.00 42.22 H new ATOM 0 HG22 VAL A 97 -8.570 19.240 -1.606 1.00 42.22 H new ATOM 0 HG23 VAL A 97 -8.730 19.253 0.166 1.00 42.22 H new