USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 995 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 Single : A 1 GLY N :NH3+ -139:sc= -0.0217 (180deg=-0.77) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -79:sc= 2 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0628) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 41:sc= -0.0793 USER MOD Single : A 37 SER OG : rot 59:sc= 0.25 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 44 HIS : no HD1:sc=-0.00483 X(o=-0.0048,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -3.73 K(o=-3.7,f=-2.8) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000336 USER MOD Single : A 64 HIS : no HD1:sc= -0.063 X(o=-0.063,f=-0.019) USER MOD Single : A 72 TYR OH : rot -145:sc= 0.639 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1) USER MOD Single : A 93 THR OG1 : rot 160:sc= -0.263 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -30:sc= 0.135 USER MOD Single : A 101 GLN : amide:sc=-0.00551 X(o=-0.0055,f=-0.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0797 USER MOD Single : A 110 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.018) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 119 THR OG1 : rot -15:sc= 0.724 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -1.22! K(o=-1.2!,f=0.03) USER MOD Single : A 122 MET CE :methyl -172:sc= 0 (180deg=-0.0572) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= -0.041 (180deg=-0.041) USER MOD Single : A 130 LYS NZ :NH3+ -157:sc=-0.00657 (180deg=-0.666) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.959 -14.220 -33.934 1.00 21.23 N ATOM 2 CA GLY A 1 11.160 -13.962 -32.750 1.00 1.15 C ATOM 3 C GLY A 1 9.711 -13.668 -33.082 1.00 71.30 C ATOM 4 O GLY A 1 9.254 -12.527 -33.006 1.00 35.24 O ATOM 0 H1 GLY A 1 12.610 -15.010 -33.748 1.00 21.23 H new ATOM 0 H2 GLY A 1 11.334 -14.466 -34.728 1.00 21.23 H new ATOM 0 H3 GLY A 1 12.507 -13.369 -34.175 1.00 21.23 H new ATOM 0 HA2 GLY A 1 11.210 -14.825 -32.087 1.00 1.15 H new ATOM 0 HA3 GLY A 1 11.584 -13.118 -32.206 1.00 1.15 H new ATOM 8 N PRO A 2 8.963 -14.714 -33.462 1.00 41.24 N ATOM 9 CA PRO A 2 7.545 -14.587 -33.815 1.00 63.15 C ATOM 10 C PRO A 2 6.671 -14.277 -32.606 1.00 20.20 C ATOM 11 O PRO A 2 6.744 -14.958 -31.584 1.00 62.40 O ATOM 12 CB PRO A 2 7.198 -15.964 -34.388 1.00 11.53 C ATOM 13 CG PRO A 2 8.177 -16.893 -33.758 1.00 31.44 C ATOM 14 CD PRO A 2 9.442 -16.102 -33.575 1.00 64.13 C ATOM 0 HA PRO A 2 7.370 -13.765 -34.509 1.00 63.15 H new ATOM 0 HB2 PRO A 2 6.173 -16.246 -34.148 1.00 11.53 H new ATOM 0 HB3 PRO A 2 7.285 -15.974 -35.474 1.00 11.53 H new ATOM 0 HG2 PRO A 2 7.806 -17.261 -32.802 1.00 31.44 H new ATOM 0 HG3 PRO A 2 8.350 -17.764 -34.390 1.00 31.44 H new ATOM 0 HD2 PRO A 2 9.985 -16.414 -32.683 1.00 64.13 H new ATOM 0 HD3 PRO A 2 10.119 -16.226 -34.420 1.00 64.13 H new ATOM 22 N GLY A 3 5.844 -13.243 -32.729 1.00 1.24 N ATOM 23 CA GLY A 3 4.968 -12.861 -31.637 1.00 33.32 C ATOM 24 C GLY A 3 3.943 -11.823 -32.052 1.00 12.15 C ATOM 25 O GLY A 3 3.786 -11.536 -33.238 1.00 41.34 O ATOM 0 H GLY A 3 5.765 -12.664 -33.565 1.00 1.24 H new ATOM 0 HA2 GLY A 3 4.453 -13.746 -31.262 1.00 33.32 H new ATOM 0 HA3 GLY A 3 5.567 -12.468 -30.815 1.00 33.32 H new ATOM 29 N SER A 4 3.244 -11.260 -31.072 1.00 32.11 N ATOM 30 CA SER A 4 2.225 -10.252 -31.341 1.00 61.32 C ATOM 31 C SER A 4 2.743 -8.855 -31.016 1.00 44.23 C ATOM 32 O SER A 4 3.417 -8.650 -30.006 1.00 73.31 O ATOM 33 CB SER A 4 0.962 -10.542 -30.527 1.00 44.43 C ATOM 34 OG SER A 4 0.226 -9.355 -30.290 1.00 11.15 O ATOM 0 H SER A 4 3.365 -11.485 -30.084 1.00 32.11 H new ATOM 0 HA SER A 4 1.982 -10.292 -32.403 1.00 61.32 H new ATOM 0 HB2 SER A 4 0.339 -11.260 -31.060 1.00 44.43 H new ATOM 0 HB3 SER A 4 1.235 -11.000 -29.577 1.00 44.43 H new ATOM 0 HG SER A 4 -0.577 -9.566 -29.770 1.00 11.15 H new ATOM 40 N MET A 5 2.426 -7.896 -31.880 1.00 73.43 N ATOM 41 CA MET A 5 2.858 -6.518 -31.685 1.00 14.51 C ATOM 42 C MET A 5 2.260 -5.604 -32.750 1.00 15.11 C ATOM 43 O MET A 5 2.272 -5.929 -33.937 1.00 41.12 O ATOM 44 CB MET A 5 4.385 -6.430 -31.719 1.00 40.32 C ATOM 45 CG MET A 5 4.948 -5.302 -30.870 1.00 43.01 C ATOM 46 SD MET A 5 6.728 -5.445 -30.619 1.00 11.32 S ATOM 47 CE MET A 5 6.781 -6.235 -29.012 1.00 12.43 C ATOM 0 H MET A 5 1.871 -8.049 -32.722 1.00 73.43 H new ATOM 0 HA MET A 5 2.504 -6.188 -30.708 1.00 14.51 H new ATOM 0 HB2 MET A 5 4.803 -7.376 -31.375 1.00 40.32 H new ATOM 0 HB3 MET A 5 4.710 -6.294 -32.751 1.00 40.32 H new ATOM 0 HG2 MET A 5 4.728 -4.348 -31.348 1.00 43.01 H new ATOM 0 HG3 MET A 5 4.448 -5.296 -29.902 1.00 43.01 H new ATOM 0 HE1 MET A 5 7.819 -6.391 -28.717 1.00 12.43 H new ATOM 0 HE2 MET A 5 6.287 -5.599 -28.277 1.00 12.43 H new ATOM 0 HE3 MET A 5 6.269 -7.196 -29.062 1.00 12.43 H new ATOM 57 N ASP A 6 1.737 -4.462 -32.318 1.00 11.14 N ATOM 58 CA ASP A 6 1.135 -3.500 -33.234 1.00 63.34 C ATOM 59 C ASP A 6 1.316 -2.075 -32.723 1.00 5.21 C ATOM 60 O ASP A 6 1.980 -1.847 -31.712 1.00 71.42 O ATOM 61 CB ASP A 6 -0.352 -3.804 -33.421 1.00 31.23 C ATOM 62 CG ASP A 6 -0.640 -5.292 -33.456 1.00 65.22 C ATOM 63 OD1 ASP A 6 -0.276 -5.943 -34.458 1.00 61.13 O ATOM 64 OD2 ASP A 6 -1.228 -5.806 -32.482 1.00 11.11 O1- ATOM 0 H ASP A 6 1.718 -4.179 -31.338 1.00 11.14 H new ATOM 0 HA ASP A 6 1.639 -3.587 -34.196 1.00 63.34 H new ATOM 0 HB2 ASP A 6 -0.918 -3.347 -32.609 1.00 31.23 H new ATOM 0 HB3 ASP A 6 -0.699 -3.348 -34.348 1.00 31.23 H new ATOM 69 N MET A 7 0.723 -1.118 -33.431 1.00 24.45 N ATOM 70 CA MET A 7 0.820 0.285 -33.048 1.00 12.31 C ATOM 71 C MET A 7 -0.261 0.648 -32.035 1.00 2.41 C ATOM 72 O MET A 7 -1.454 0.559 -32.326 1.00 61.54 O ATOM 73 CB MET A 7 0.700 1.182 -34.283 1.00 11.23 C ATOM 74 CG MET A 7 1.051 2.636 -34.013 1.00 51.32 C ATOM 75 SD MET A 7 2.826 2.906 -33.859 1.00 25.32 S ATOM 76 CE MET A 7 2.902 3.776 -32.295 1.00 62.51 C ATOM 0 H MET A 7 0.171 -1.289 -34.272 1.00 24.45 H new ATOM 0 HA MET A 7 1.794 0.443 -32.586 1.00 12.31 H new ATOM 0 HB2 MET A 7 1.354 0.798 -35.066 1.00 11.23 H new ATOM 0 HB3 MET A 7 -0.320 1.127 -34.664 1.00 11.23 H new ATOM 0 HG2 MET A 7 0.662 3.255 -34.821 1.00 51.32 H new ATOM 0 HG3 MET A 7 0.557 2.961 -33.097 1.00 51.32 H new ATOM 0 HE1 MET A 7 3.940 4.013 -32.061 1.00 62.51 H new ATOM 0 HE2 MET A 7 2.325 4.698 -32.363 1.00 62.51 H new ATOM 0 HE3 MET A 7 2.487 3.146 -31.508 1.00 62.51 H new ATOM 86 N PHE A 8 0.163 1.057 -30.845 1.00 3.54 N ATOM 87 CA PHE A 8 -0.769 1.433 -29.788 1.00 21.13 C ATOM 88 C PHE A 8 -0.116 2.400 -28.805 1.00 4.32 C ATOM 89 O PHE A 8 1.109 2.497 -28.733 1.00 2.32 O ATOM 90 CB PHE A 8 -1.259 0.188 -29.046 1.00 31.03 C ATOM 91 CG PHE A 8 -2.316 -0.576 -29.790 1.00 51.20 C ATOM 92 CD1 PHE A 8 -3.463 0.060 -30.238 1.00 71.41 C ATOM 93 CD2 PHE A 8 -2.164 -1.930 -30.041 1.00 54.22 C ATOM 94 CE1 PHE A 8 -4.437 -0.640 -30.924 1.00 55.12 C ATOM 95 CE2 PHE A 8 -3.135 -2.635 -30.726 1.00 71.44 C ATOM 96 CZ PHE A 8 -4.274 -1.989 -31.167 1.00 63.50 C ATOM 0 H PHE A 8 1.147 1.137 -30.587 1.00 3.54 H new ATOM 0 HA PHE A 8 -1.621 1.932 -30.250 1.00 21.13 H new ATOM 0 HB2 PHE A 8 -0.411 -0.470 -28.858 1.00 31.03 H new ATOM 0 HB3 PHE A 8 -1.653 0.486 -28.074 1.00 31.03 H new ATOM 0 HD1 PHE A 8 -3.597 1.115 -30.049 1.00 71.41 H new ATOM 0 HD2 PHE A 8 -1.276 -2.440 -29.697 1.00 54.22 H new ATOM 0 HE1 PHE A 8 -5.325 -0.132 -31.270 1.00 55.12 H new ATOM 0 HE2 PHE A 8 -3.004 -3.690 -30.917 1.00 71.44 H new ATOM 0 HZ PHE A 8 -5.035 -2.538 -31.701 1.00 63.50 H new ATOM 106 N SER A 9 -0.944 3.115 -28.048 1.00 44.14 N ATOM 107 CA SER A 9 -0.448 4.079 -27.073 1.00 63.12 C ATOM 108 C SER A 9 -0.230 3.415 -25.717 1.00 52.32 C ATOM 109 O SER A 9 -0.362 2.199 -25.580 1.00 53.53 O ATOM 110 CB SER A 9 -1.429 5.244 -26.932 1.00 34.53 C ATOM 111 OG SER A 9 -2.704 4.789 -26.511 1.00 72.44 O ATOM 0 H SER A 9 -1.961 3.044 -28.092 1.00 44.14 H new ATOM 0 HA SER A 9 0.509 4.461 -27.429 1.00 63.12 H new ATOM 0 HB2 SER A 9 -1.041 5.965 -26.213 1.00 34.53 H new ATOM 0 HB3 SER A 9 -1.521 5.763 -27.886 1.00 34.53 H new ATOM 0 HG SER A 9 -3.312 5.553 -26.427 1.00 72.44 H new ATOM 117 N ALA A 10 0.105 4.224 -24.717 1.00 24.13 N ATOM 118 CA ALA A 10 0.340 3.716 -23.371 1.00 0.13 C ATOM 119 C ALA A 10 -0.322 4.607 -22.325 1.00 51.52 C ATOM 120 O ALA A 10 -0.645 5.768 -22.579 1.00 13.44 O ATOM 121 CB ALA A 10 1.834 3.604 -23.101 1.00 71.34 C ATOM 0 H ALA A 10 0.220 5.233 -24.814 1.00 24.13 H new ATOM 0 HA ALA A 10 -0.106 2.724 -23.302 1.00 0.13 H new ATOM 0 HB1 ALA A 10 1.994 3.223 -22.092 1.00 71.34 H new ATOM 0 HB2 ALA A 10 2.284 2.921 -23.822 1.00 71.34 H new ATOM 0 HB3 ALA A 10 2.295 4.587 -23.195 1.00 71.34 H new ATOM 127 N PRO A 11 -0.530 4.055 -21.120 1.00 62.34 N ATOM 128 CA PRO A 11 -1.155 4.782 -20.013 1.00 14.41 C ATOM 129 C PRO A 11 -0.255 5.883 -19.460 1.00 62.40 C ATOM 130 O PRO A 11 0.785 6.196 -20.040 1.00 14.13 O ATOM 131 CB PRO A 11 -1.382 3.697 -18.958 1.00 63.20 C ATOM 132 CG PRO A 11 -0.354 2.659 -19.256 1.00 52.41 C ATOM 133 CD PRO A 11 -0.170 2.676 -20.748 1.00 63.23 C ATOM 0 HA PRO A 11 -2.068 5.291 -20.324 1.00 14.41 H new ATOM 0 HB2 PRO A 11 -1.263 4.094 -17.950 1.00 63.20 H new ATOM 0 HB3 PRO A 11 -2.390 3.286 -19.022 1.00 63.20 H new ATOM 0 HG2 PRO A 11 0.583 2.879 -18.745 1.00 52.41 H new ATOM 0 HG3 PRO A 11 -0.680 1.677 -18.914 1.00 52.41 H new ATOM 0 HD2 PRO A 11 0.856 2.439 -21.029 1.00 63.23 H new ATOM 0 HD3 PRO A 11 -0.812 1.946 -21.241 1.00 63.23 H new ATOM 141 N ASP A 12 -0.662 6.464 -18.337 1.00 1.52 N ATOM 142 CA ASP A 12 0.110 7.529 -17.705 1.00 54.24 C ATOM 143 C ASP A 12 1.013 6.969 -16.612 1.00 1.12 C ATOM 144 O ASP A 12 1.386 7.680 -15.678 1.00 33.35 O ATOM 145 CB ASP A 12 -0.827 8.587 -17.119 1.00 65.52 C ATOM 146 CG ASP A 12 -2.054 8.814 -17.980 1.00 11.11 C ATOM 147 OD1 ASP A 12 -1.934 9.499 -19.017 1.00 53.53 O ATOM 148 OD2 ASP A 12 -3.135 8.306 -17.616 1.00 73.21 O1- ATOM 0 H ASP A 12 -1.521 6.216 -17.846 1.00 1.52 H new ATOM 0 HA ASP A 12 0.737 7.992 -18.467 1.00 54.24 H new ATOM 0 HB2 ASP A 12 -1.139 8.279 -16.121 1.00 65.52 H new ATOM 0 HB3 ASP A 12 -0.286 9.526 -17.008 1.00 65.52 H new ATOM 153 N ARG A 13 1.362 5.693 -16.734 1.00 62.40 N ATOM 154 CA ARG A 13 2.220 5.037 -15.755 1.00 13.43 C ATOM 155 C ARG A 13 3.300 4.210 -16.445 1.00 51.13 C ATOM 156 O ARG A 13 2.998 3.280 -17.194 1.00 65.25 O ATOM 157 CB ARG A 13 1.388 4.144 -14.833 1.00 71.33 C ATOM 158 CG ARG A 13 0.257 4.878 -14.131 1.00 64.41 C ATOM 159 CD ARG A 13 -0.248 4.100 -12.926 1.00 64.44 C ATOM 160 NE ARG A 13 -1.369 3.227 -13.267 1.00 53.53 N ATOM 161 CZ ARG A 13 -1.902 2.352 -12.423 1.00 72.45 C ATOM 162 NH1 ARG A 13 -1.419 2.232 -11.195 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -2.920 1.594 -12.808 1.00 74.21 N ATOM 0 H ARG A 13 1.063 5.092 -17.502 1.00 62.40 H new ATOM 0 HA ARG A 13 2.705 5.810 -15.159 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.970 3.323 -15.416 1.00 71.33 H new ATOM 0 HB3 ARG A 13 2.043 3.701 -14.083 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.603 5.861 -13.812 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.563 5.040 -14.831 1.00 64.41 H new ATOM 0 HD2 ARG A 13 0.565 3.502 -12.514 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -0.556 4.798 -12.147 1.00 64.44 H new ATOM 0 HE ARG A 13 -1.764 3.294 -14.205 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -0.636 2.813 -10.896 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -1.831 1.559 -10.549 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -3.294 1.683 -13.753 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -3.329 0.922 -12.159 1.00 74.21 H new ATOM 177 N ILE A 14 4.557 4.555 -16.189 1.00 31.23 N ATOM 178 CA ILE A 14 5.681 3.843 -16.786 1.00 21.45 C ATOM 179 C ILE A 14 6.196 2.751 -15.855 1.00 33.43 C ATOM 180 O ILE A 14 6.401 2.964 -14.660 1.00 4.22 O ATOM 181 CB ILE A 14 6.838 4.802 -17.123 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.351 5.917 -18.049 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.988 4.038 -17.764 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.501 7.302 -17.458 1.00 72.40 C ATOM 0 H ILE A 14 4.823 5.323 -15.573 1.00 31.23 H new ATOM 0 HA ILE A 14 5.315 3.389 -17.707 1.00 21.45 H new ATOM 0 HB ILE A 14 7.198 5.254 -16.199 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.906 5.868 -18.986 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.302 5.745 -18.291 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.799 4.729 -17.997 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.348 3.275 -17.073 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.642 3.562 -18.682 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.136 8.043 -18.169 1.00 72.40 H new ATOM 0 HD12 ILE A 14 5.923 7.369 -16.536 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.552 7.494 -17.242 1.00 72.40 H new ATOM 196 N PRO A 15 6.412 1.550 -16.413 1.00 52.44 N ATOM 197 CA PRO A 15 6.908 0.400 -15.652 1.00 71.33 C ATOM 198 C PRO A 15 8.361 0.571 -15.224 1.00 44.54 C ATOM 199 O PRO A 15 8.935 1.652 -15.364 1.00 21.35 O ATOM 200 CB PRO A 15 6.775 -0.762 -16.640 1.00 32.33 C ATOM 201 CG PRO A 15 6.833 -0.126 -17.985 1.00 35.51 C ATOM 202 CD PRO A 15 6.189 1.224 -17.832 1.00 52.11 C ATOM 0 HA PRO A 15 6.354 0.255 -14.724 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.579 -1.486 -16.510 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.837 -1.298 -16.496 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.863 -0.030 -18.327 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.306 -0.728 -18.725 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.645 1.963 -18.491 1.00 52.11 H new ATOM 0 HD3 PRO A 15 5.127 1.192 -18.075 1.00 52.11 H new ATOM 210 N GLU A 16 8.951 -0.500 -14.705 1.00 24.10 N ATOM 211 CA GLU A 16 10.339 -0.466 -14.257 1.00 63.23 C ATOM 212 C GLU A 16 11.249 0.092 -15.347 1.00 23.52 C ATOM 213 O GLU A 16 10.912 0.052 -16.531 1.00 3.13 O ATOM 214 CB GLU A 16 10.803 -1.869 -13.858 1.00 12.45 C ATOM 215 CG GLU A 16 12.069 -1.874 -13.016 1.00 54.23 C ATOM 216 CD GLU A 16 12.123 -3.043 -12.053 1.00 62.22 C ATOM 217 OE1 GLU A 16 11.056 -3.438 -11.538 1.00 73.31 O ATOM 218 OE2 GLU A 16 13.233 -3.564 -11.813 1.00 11.13 O1- ATOM 0 H GLU A 16 8.491 -1.402 -14.584 1.00 24.10 H new ATOM 0 HA GLU A 16 10.398 0.190 -13.388 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.005 -2.362 -13.303 1.00 12.45 H new ATOM 0 HB3 GLU A 16 10.974 -2.456 -14.760 1.00 12.45 H new ATOM 0 HG2 GLU A 16 12.938 -1.909 -13.673 1.00 54.23 H new ATOM 0 HG3 GLU A 16 12.131 -0.942 -12.454 1.00 54.23 H new ATOM 225 N GLN A 17 12.402 0.611 -14.939 1.00 15.32 N ATOM 226 CA GLN A 17 13.359 1.179 -15.880 1.00 43.30 C ATOM 227 C GLN A 17 14.070 0.080 -16.663 1.00 14.04 C ATOM 228 O GLN A 17 14.154 -1.062 -16.211 1.00 32.12 O ATOM 229 CB GLN A 17 14.385 2.039 -15.140 1.00 2.54 C ATOM 230 CG GLN A 17 15.074 1.315 -13.994 1.00 15.05 C ATOM 231 CD GLN A 17 16.474 1.831 -13.734 1.00 5.52 C ATOM 232 OE1 GLN A 17 17.339 1.782 -14.609 1.00 25.01 O ATOM 233 NE2 GLN A 17 16.706 2.332 -12.526 1.00 30.14 N ATOM 0 H GLN A 17 12.696 0.650 -13.963 1.00 15.32 H new ATOM 0 HA GLN A 17 12.810 1.805 -16.584 1.00 43.30 H new ATOM 0 HB2 GLN A 17 15.139 2.380 -15.849 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.888 2.928 -14.751 1.00 2.54 H new ATOM 0 HG2 GLN A 17 14.477 1.425 -13.089 1.00 15.05 H new ATOM 0 HG3 GLN A 17 15.120 0.249 -14.218 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.960 2.353 -11.831 1.00 30.14 H new ATOM 0 HE22 GLN A 17 17.630 2.696 -12.294 1.00 30.14 H new ATOM 242 N ILE A 18 14.578 0.432 -17.839 1.00 24.21 N ATOM 243 CA ILE A 18 15.282 -0.525 -18.683 1.00 45.03 C ATOM 244 C ILE A 18 16.542 0.092 -19.281 1.00 53.13 C ATOM 245 O ILE A 18 16.824 1.273 -19.079 1.00 34.14 O ATOM 246 CB ILE A 18 14.383 -1.036 -19.826 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.749 0.142 -20.569 1.00 64.44 C ATOM 248 CG2 ILE A 18 13.309 -1.964 -19.279 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.446 -0.155 -22.022 1.00 51.52 C ATOM 0 H ILE A 18 14.515 1.372 -18.229 1.00 24.21 H new ATOM 0 HA ILE A 18 15.558 -1.365 -18.045 1.00 45.03 H new ATOM 0 HB ILE A 18 14.997 -1.598 -20.530 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.826 0.426 -20.064 1.00 64.44 H new ATOM 0 HG13 ILE A 18 14.419 1.000 -20.514 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.682 -2.317 -20.098 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.780 -2.816 -18.789 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.695 -1.425 -18.558 1.00 30.13 H new ATOM 0 HD11 ILE A 18 12.998 0.723 -22.487 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.370 -0.410 -22.542 1.00 51.52 H new ATOM 0 HD13 ILE A 18 12.751 -0.993 -22.085 1.00 51.52 H new ATOM 261 N ARG A 19 17.296 -0.715 -20.020 1.00 71.23 N ATOM 262 CA ARG A 19 18.527 -0.249 -20.649 1.00 75.34 C ATOM 263 C ARG A 19 18.434 -0.355 -22.168 1.00 62.41 C ATOM 264 O ARG A 19 17.970 -1.362 -22.703 1.00 51.13 O ATOM 265 CB ARG A 19 19.722 -1.057 -20.142 1.00 70.32 C ATOM 266 CG ARG A 19 21.047 -0.634 -20.752 1.00 12.13 C ATOM 267 CD ARG A 19 22.112 -1.704 -20.572 1.00 72.31 C ATOM 268 NE ARG A 19 22.634 -1.732 -19.208 1.00 22.42 N ATOM 269 CZ ARG A 19 23.276 -2.773 -18.688 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.473 -3.864 -19.414 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 23.721 -2.722 -17.440 1.00 23.13 N ATOM 0 H ARG A 19 17.076 -1.695 -20.198 1.00 71.23 H new ATOM 0 HA ARG A 19 18.668 0.799 -20.383 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.783 -0.958 -19.058 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.553 -2.112 -20.357 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.911 -0.430 -21.814 1.00 12.13 H new ATOM 0 HG3 ARG A 19 21.381 0.295 -20.290 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.692 -2.679 -20.820 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.930 -1.523 -21.270 1.00 72.31 H new ATOM 0 HE ARG A 19 22.498 -0.908 -18.623 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.132 -3.906 -20.374 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.966 -4.662 -19.013 1.00 43.31 H new ATOM 0 HH21 ARG A 19 23.571 -1.884 -16.879 1.00 23.13 H new ATOM 0 HH22 ARG A 19 24.214 -3.521 -17.041 1.00 23.13 H new ATOM 285 N ILE A 20 18.881 0.690 -22.858 1.00 35.55 N ATOM 286 CA ILE A 20 18.849 0.714 -24.314 1.00 64.45 C ATOM 287 C ILE A 20 20.259 0.730 -24.895 1.00 32.03 C ATOM 288 O ILE A 20 21.241 0.874 -24.165 1.00 53.21 O ATOM 289 CB ILE A 20 18.076 1.937 -24.841 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.821 3.227 -24.495 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.667 1.962 -24.265 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.163 4.473 -25.047 1.00 21.13 C ATOM 0 H ILE A 20 19.269 1.531 -22.431 1.00 35.55 H new ATOM 0 HA ILE A 20 18.337 -0.194 -24.632 1.00 64.45 H new ATOM 0 HB ILE A 20 18.003 1.862 -25.926 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.894 3.315 -23.411 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.839 3.163 -24.879 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.133 2.832 -24.647 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.138 1.055 -24.557 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.719 2.017 -23.178 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.746 5.349 -24.762 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.114 4.407 -26.134 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.155 4.561 -24.643 1.00 21.13 H new ATOM 304 N PHE A 21 20.353 0.583 -26.211 1.00 73.53 N ATOM 305 CA PHE A 21 21.643 0.581 -26.890 1.00 64.54 C ATOM 306 C PHE A 21 21.730 1.725 -27.897 1.00 32.43 C ATOM 307 O PHE A 21 20.863 1.875 -28.759 1.00 22.23 O ATOM 308 CB PHE A 21 21.868 -0.756 -27.600 1.00 22.21 C ATOM 309 CG PHE A 21 22.461 -1.813 -26.713 1.00 75.22 C ATOM 310 CD1 PHE A 21 21.846 -2.159 -25.520 1.00 21.22 C ATOM 311 CD2 PHE A 21 23.632 -2.461 -27.072 1.00 14.32 C ATOM 312 CE1 PHE A 21 22.389 -3.132 -24.701 1.00 63.25 C ATOM 313 CE2 PHE A 21 24.178 -3.435 -26.257 1.00 44.12 C ATOM 314 CZ PHE A 21 23.557 -3.770 -25.071 1.00 20.14 C ATOM 0 H PHE A 21 19.551 0.464 -26.830 1.00 73.53 H new ATOM 0 HA PHE A 21 22.420 0.721 -26.139 1.00 64.54 H new ATOM 0 HB2 PHE A 21 20.916 -1.114 -27.993 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.526 -0.598 -28.454 1.00 22.21 H new ATOM 0 HD1 PHE A 21 20.932 -1.663 -25.227 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.123 -2.202 -27.998 1.00 14.32 H new ATOM 0 HE1 PHE A 21 21.901 -3.393 -23.774 1.00 63.25 H new ATOM 0 HE2 PHE A 21 25.091 -3.934 -26.548 1.00 44.12 H new ATOM 0 HZ PHE A 21 23.984 -4.530 -24.433 1.00 20.14 H new ATOM 324 N PHE A 22 22.781 2.529 -27.781 1.00 34.14 N ATOM 325 CA PHE A 22 22.981 3.661 -28.678 1.00 71.33 C ATOM 326 C PHE A 22 23.952 3.301 -29.799 1.00 24.13 C ATOM 327 O PHE A 22 25.165 3.250 -29.592 1.00 42.03 O ATOM 328 CB PHE A 22 23.506 4.869 -27.901 1.00 34.11 C ATOM 329 CG PHE A 22 22.443 5.877 -27.569 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.155 6.191 -26.251 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.730 6.508 -28.576 1.00 11.41 C ATOM 332 CE1 PHE A 22 21.177 7.118 -25.942 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.752 7.437 -28.274 1.00 34.04 C ATOM 334 CZ PHE A 22 20.474 7.741 -26.955 1.00 31.31 C ATOM 0 H PHE A 22 23.508 2.418 -27.074 1.00 34.14 H new ATOM 0 HA PHE A 22 22.019 3.915 -29.122 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.969 4.523 -26.977 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.287 5.356 -28.486 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.701 5.706 -25.455 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.941 6.271 -29.608 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.963 7.355 -24.910 1.00 43.04 H new ATOM 0 HE2 PHE A 22 20.206 7.925 -29.068 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.708 8.464 -26.716 1.00 31.31 H new ATOM 344 N LYS A 23 23.411 3.052 -30.986 1.00 30.42 N ATOM 345 CA LYS A 23 24.228 2.697 -32.141 1.00 1.30 C ATOM 346 C LYS A 23 24.737 3.947 -32.852 1.00 12.33 C ATOM 347 O LYS A 23 23.979 4.642 -33.528 1.00 50.24 O ATOM 348 CB LYS A 23 23.422 1.835 -33.116 1.00 51.30 C ATOM 349 CG LYS A 23 24.049 1.731 -34.496 1.00 73.32 C ATOM 350 CD LYS A 23 25.437 1.115 -34.432 1.00 53.34 C ATOM 351 CE LYS A 23 26.149 1.209 -35.773 1.00 11.44 C ATOM 352 NZ LYS A 23 25.660 0.184 -36.735 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.409 3.089 -31.174 1.00 30.42 H new ATOM 0 HA LYS A 23 25.087 2.127 -31.786 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.314 0.834 -32.699 1.00 51.30 H new ATOM 0 HB3 LYS A 23 22.419 2.251 -33.212 1.00 51.30 H new ATOM 0 HG2 LYS A 23 23.411 1.127 -35.142 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.110 2.722 -34.945 1.00 73.32 H new ATOM 0 HD2 LYS A 23 26.027 1.623 -33.669 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.359 0.070 -34.132 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.999 2.203 -36.195 1.00 11.44 H new ATOM 0 HE3 LYS A 23 27.222 1.084 -35.624 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 26.170 0.282 -37.636 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 25.826 -0.766 -36.345 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.642 0.318 -36.898 1.00 75.34 H new ATOM 366 N THR A 24 26.027 4.228 -32.694 1.00 1.24 N ATOM 367 CA THR A 24 26.637 5.393 -33.320 1.00 41.43 C ATOM 368 C THR A 24 27.430 4.999 -34.562 1.00 55.05 C ATOM 369 O THR A 24 27.514 3.821 -34.907 1.00 23.40 O ATOM 370 CB THR A 24 27.571 6.132 -32.343 1.00 24.11 C ATOM 371 OG1 THR A 24 28.796 5.406 -32.192 1.00 65.51 O ATOM 372 CG2 THR A 24 26.907 6.305 -30.986 1.00 50.11 C ATOM 0 H THR A 24 26.669 3.664 -32.137 1.00 1.24 H new ATOM 0 HA THR A 24 25.823 6.059 -33.607 1.00 41.43 H new ATOM 0 HB THR A 24 27.783 7.119 -32.754 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.657 4.655 -31.578 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.586 6.829 -30.313 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.990 6.884 -31.101 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.668 5.326 -30.570 1.00 50.11 H new ATOM 380 N MET A 25 28.007 5.992 -35.230 1.00 73.10 N ATOM 381 CA MET A 25 28.794 5.747 -36.432 1.00 52.45 C ATOM 382 C MET A 25 30.161 5.170 -36.080 1.00 2.30 C ATOM 383 O MET A 25 30.919 4.759 -36.960 1.00 33.11 O ATOM 384 CB MET A 25 28.964 7.043 -37.230 1.00 30.23 C ATOM 385 CG MET A 25 29.576 6.835 -38.605 1.00 63.33 C ATOM 386 SD MET A 25 29.120 8.130 -39.772 1.00 45.42 S ATOM 387 CE MET A 25 27.565 7.495 -40.393 1.00 4.22 C ATOM 0 H MET A 25 27.944 6.973 -34.959 1.00 73.10 H new ATOM 0 HA MET A 25 28.259 5.020 -37.043 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.991 7.520 -37.343 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.592 7.730 -36.662 1.00 30.23 H new ATOM 0 HG2 MET A 25 30.662 6.800 -38.513 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.258 5.869 -38.998 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.156 8.188 -41.128 1.00 4.22 H new ATOM 0 HE2 MET A 25 27.729 6.525 -40.862 1.00 4.22 H new ATOM 0 HE3 MET A 25 26.861 7.385 -39.568 1.00 4.22 H new ATOM 397 N LYS A 26 30.472 5.144 -34.789 1.00 24.12 N ATOM 398 CA LYS A 26 31.747 4.617 -34.319 1.00 45.31 C ATOM 399 C LYS A 26 31.564 3.252 -33.663 1.00 52.32 C ATOM 400 O LYS A 26 32.393 2.358 -33.828 1.00 42.42 O ATOM 401 CB LYS A 26 32.391 5.588 -33.327 1.00 13.34 C ATOM 402 CG LYS A 26 33.837 5.260 -33.003 1.00 61.12 C ATOM 403 CD LYS A 26 34.733 5.428 -34.219 1.00 13.14 C ATOM 404 CE LYS A 26 36.186 5.121 -33.887 1.00 42.23 C ATOM 405 NZ LYS A 26 36.393 3.677 -33.589 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.857 5.482 -34.049 1.00 24.12 H new ATOM 0 HA LYS A 26 32.402 4.501 -35.182 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.339 6.597 -33.735 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.812 5.587 -32.404 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.187 5.908 -32.200 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.906 4.235 -32.638 1.00 61.12 H new ATOM 0 HD2 LYS A 26 34.393 4.767 -35.017 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.652 6.448 -34.594 1.00 13.14 H new ATOM 0 HE2 LYS A 26 36.820 5.414 -34.724 1.00 42.23 H new ATOM 0 HE3 LYS A 26 36.496 5.717 -33.029 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 37.412 3.480 -33.518 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.931 3.439 -32.688 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 35.982 3.103 -34.352 1.00 4.53 H new ATOM 419 N GLN A 27 30.472 3.100 -32.921 1.00 23.51 N ATOM 420 CA GLN A 27 30.181 1.842 -32.241 1.00 54.41 C ATOM 421 C GLN A 27 28.895 1.949 -31.429 1.00 32.12 C ATOM 422 O GLN A 27 28.284 3.015 -31.351 1.00 31.42 O ATOM 423 CB GLN A 27 31.344 1.450 -31.329 1.00 35.15 C ATOM 424 CG GLN A 27 31.871 2.601 -30.486 1.00 31.13 C ATOM 425 CD GLN A 27 32.442 2.139 -29.159 1.00 41.01 C ATOM 426 OE1 GLN A 27 31.724 1.603 -28.315 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.740 2.344 -28.969 1.00 44.23 N ATOM 0 H GLN A 27 29.775 3.830 -32.775 1.00 23.51 H new ATOM 0 HA GLN A 27 30.048 1.070 -32.999 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.022 0.645 -30.669 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.157 1.056 -31.939 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.642 3.132 -31.044 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.065 3.311 -30.303 1.00 31.13 H new ATOM 0 HE21 GLN A 27 34.297 2.792 -29.696 1.00 44.23 H new ATOM 0 HE22 GLN A 27 34.180 2.053 -28.096 1.00 44.23 H new ATOM 436 N VAL A 28 28.488 0.837 -30.825 1.00 3.05 N ATOM 437 CA VAL A 28 27.274 0.805 -30.017 1.00 24.14 C ATOM 438 C VAL A 28 27.605 0.836 -28.529 1.00 72.01 C ATOM 439 O VAL A 28 28.335 -0.018 -28.025 1.00 14.41 O ATOM 440 CB VAL A 28 26.433 -0.449 -30.318 1.00 50.21 C ATOM 441 CG1 VAL A 28 25.082 -0.366 -29.623 1.00 4.54 C ATOM 442 CG2 VAL A 28 26.258 -0.625 -31.819 1.00 44.43 C ATOM 0 H VAL A 28 28.981 -0.054 -30.880 1.00 3.05 H new ATOM 0 HA VAL A 28 26.696 1.692 -30.277 1.00 24.14 H new ATOM 0 HB VAL A 28 26.961 -1.320 -29.931 1.00 50.21 H new ATOM 0 HG11 VAL A 28 24.502 -1.261 -29.847 1.00 4.54 H new ATOM 0 HG12 VAL A 28 25.231 -0.291 -28.546 1.00 4.54 H new ATOM 0 HG13 VAL A 28 24.544 0.513 -29.977 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.661 -1.516 -32.014 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.752 0.248 -32.231 1.00 44.43 H new ATOM 0 HG23 VAL A 28 27.235 -0.733 -32.289 1.00 44.43 H new ATOM 452 N VAL A 29 27.061 1.827 -27.828 1.00 62.35 N ATOM 453 CA VAL A 29 27.295 1.969 -26.397 1.00 73.41 C ATOM 454 C VAL A 29 26.002 1.797 -25.608 1.00 41.43 C ATOM 455 O VAL A 29 24.908 2.096 -26.088 1.00 63.42 O ATOM 456 CB VAL A 29 27.908 3.342 -26.062 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.404 3.341 -26.342 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.211 4.443 -26.848 1.00 63.42 C ATOM 0 H VAL A 29 26.455 2.543 -28.229 1.00 62.35 H new ATOM 0 HA VAL A 29 27.998 1.186 -26.113 1.00 73.41 H new ATOM 0 HB VAL A 29 27.761 3.537 -25.000 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.820 4.319 -26.100 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.888 2.579 -25.731 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.577 3.124 -27.396 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.657 5.406 -26.599 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.325 4.256 -27.916 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.151 4.457 -26.593 1.00 63.42 H new ATOM 468 N PRO A 30 26.127 1.304 -24.367 1.00 73.00 N ATOM 469 CA PRO A 30 24.977 1.082 -23.484 1.00 3.14 C ATOM 470 C PRO A 30 24.351 2.388 -23.008 1.00 71.14 C ATOM 471 O PRO A 30 25.023 3.416 -22.926 1.00 11.03 O ATOM 472 CB PRO A 30 25.580 0.316 -22.304 1.00 20.11 C ATOM 473 CG PRO A 30 27.017 0.709 -22.291 1.00 44.03 C ATOM 474 CD PRO A 30 27.399 0.926 -23.729 1.00 41.22 C ATOM 0 HA PRO A 30 24.171 0.549 -23.989 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.089 0.581 -21.368 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.465 -0.761 -22.431 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.168 1.616 -21.706 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.631 -0.069 -21.837 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.149 1.711 -23.832 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.819 0.024 -24.174 1.00 41.22 H new ATOM 482 N ALA A 31 23.061 2.340 -22.695 1.00 53.34 N ATOM 483 CA ALA A 31 22.344 3.519 -22.224 1.00 43.44 C ATOM 484 C ALA A 31 21.317 3.149 -21.160 1.00 41.51 C ATOM 485 O ALA A 31 20.583 2.171 -21.304 1.00 52.01 O ATOM 486 CB ALA A 31 21.668 4.226 -23.390 1.00 11.05 C ATOM 0 H ALA A 31 22.490 1.497 -22.759 1.00 53.34 H new ATOM 0 HA ALA A 31 23.068 4.197 -21.772 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.136 5.104 -23.024 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.421 4.534 -24.115 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.961 3.547 -23.867 1.00 11.05 H new ATOM 492 N LYS A 32 21.270 3.937 -20.091 1.00 42.21 N ATOM 493 CA LYS A 32 20.332 3.694 -19.001 1.00 42.03 C ATOM 494 C LYS A 32 19.092 4.569 -19.145 1.00 53.43 C ATOM 495 O LYS A 32 19.181 5.796 -19.127 1.00 15.15 O ATOM 496 CB LYS A 32 21.005 3.961 -17.653 1.00 10.13 C ATOM 497 CG LYS A 32 22.062 2.933 -17.286 1.00 15.14 C ATOM 498 CD LYS A 32 23.109 3.519 -16.354 1.00 43.25 C ATOM 499 CE LYS A 32 24.263 2.553 -16.134 1.00 41.14 C ATOM 500 NZ LYS A 32 24.878 2.721 -14.789 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.871 4.750 -19.956 1.00 42.21 H new ATOM 0 HA LYS A 32 20.024 2.649 -19.046 1.00 42.03 H new ATOM 0 HB2 LYS A 32 21.464 4.949 -17.675 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.243 3.981 -16.874 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.587 2.076 -16.808 1.00 15.14 H new ATOM 0 HG3 LYS A 32 22.544 2.566 -18.192 1.00 15.14 H new ATOM 0 HD2 LYS A 32 23.488 4.452 -16.772 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.649 3.763 -15.396 1.00 43.25 H new ATOM 0 HE2 LYS A 32 23.906 1.529 -16.245 1.00 41.14 H new ATOM 0 HE3 LYS A 32 25.020 2.711 -16.902 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 25.660 2.045 -14.678 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 25.242 3.690 -14.692 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 24.162 2.545 -14.055 1.00 23.12 H new ATOM 514 N ALA A 33 17.936 3.930 -19.287 1.00 74.42 N ATOM 515 CA ALA A 33 16.676 4.652 -19.430 1.00 62.44 C ATOM 516 C ALA A 33 15.790 4.457 -18.206 1.00 33.43 C ATOM 517 O ALA A 33 15.364 3.341 -17.906 1.00 52.11 O ATOM 518 CB ALA A 33 15.949 4.199 -20.688 1.00 44.12 C ATOM 0 H ALA A 33 17.845 2.914 -19.306 1.00 74.42 H new ATOM 0 HA ALA A 33 16.902 5.715 -19.516 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.011 4.745 -20.783 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.573 4.396 -21.560 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.742 3.131 -20.624 1.00 44.12 H new ATOM 524 N VAL A 34 15.515 5.549 -17.499 1.00 63.33 N ATOM 525 CA VAL A 34 14.678 5.498 -16.306 1.00 45.44 C ATOM 526 C VAL A 34 13.224 5.807 -16.642 1.00 54.42 C ATOM 527 O VAL A 34 12.938 6.585 -17.554 1.00 75.20 O ATOM 528 CB VAL A 34 15.168 6.489 -15.235 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.412 6.282 -13.931 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.668 6.343 -15.021 1.00 72.31 C ATOM 0 H VAL A 34 15.860 6.480 -17.732 1.00 63.33 H new ATOM 0 HA VAL A 34 14.749 4.484 -15.912 1.00 45.44 H new ATOM 0 HB VAL A 34 14.971 7.503 -15.584 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.772 6.991 -13.185 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.347 6.441 -14.099 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.575 5.265 -13.573 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.998 7.051 -14.261 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.892 5.328 -14.693 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.190 6.545 -15.956 1.00 72.31 H new ATOM 540 N CYS A 35 12.308 5.195 -15.899 1.00 52.54 N ATOM 541 CA CYS A 35 10.881 5.406 -16.118 1.00 31.55 C ATOM 542 C CYS A 35 10.549 6.894 -16.148 1.00 12.13 C ATOM 543 O CYS A 35 10.611 7.575 -15.124 1.00 51.25 O ATOM 544 CB CYS A 35 10.069 4.711 -15.024 1.00 11.41 C ATOM 545 SG CYS A 35 10.641 5.061 -13.345 1.00 13.12 S ATOM 0 H CYS A 35 12.528 4.549 -15.140 1.00 52.54 H new ATOM 0 HA CYS A 35 10.619 4.975 -17.084 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.026 5.015 -15.112 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.102 3.634 -15.191 1.00 11.41 H new ATOM 0 HG CYS A 35 10.948 6.320 -13.245 1.00 13.12 H new ATOM 551 N GLY A 36 10.198 7.394 -17.329 1.00 33.13 N ATOM 552 CA GLY A 36 9.863 8.799 -17.470 1.00 22.01 C ATOM 553 C GLY A 36 10.997 9.608 -18.068 1.00 2.31 C ATOM 554 O GLY A 36 10.988 10.838 -18.012 1.00 12.12 O ATOM 0 H GLY A 36 10.140 6.851 -18.191 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.979 8.897 -18.100 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.605 9.208 -16.493 1.00 22.01 H new ATOM 558 N SER A 37 11.978 8.917 -18.640 1.00 14.13 N ATOM 559 CA SER A 37 13.127 9.579 -19.246 1.00 31.10 C ATOM 560 C SER A 37 12.945 9.711 -20.755 1.00 73.20 C ATOM 561 O SER A 37 11.866 9.448 -21.287 1.00 73.03 O ATOM 562 CB SER A 37 14.409 8.802 -18.942 1.00 61.42 C ATOM 563 OG SER A 37 14.572 8.611 -17.547 1.00 54.42 O ATOM 0 H SER A 37 12.000 7.899 -18.696 1.00 14.13 H new ATOM 0 HA SER A 37 13.206 10.578 -18.818 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.379 7.835 -19.443 1.00 61.42 H new ATOM 0 HB3 SER A 37 15.268 9.341 -19.341 1.00 61.42 H new ATOM 0 HG SER A 37 13.802 8.119 -17.192 1.00 54.42 H new ATOM 569 N THR A 38 14.007 10.122 -21.440 1.00 25.44 N ATOM 570 CA THR A 38 13.966 10.290 -22.887 1.00 13.34 C ATOM 571 C THR A 38 15.275 9.848 -23.529 1.00 44.22 C ATOM 572 O THR A 38 16.357 10.089 -22.990 1.00 73.14 O ATOM 573 CB THR A 38 13.686 11.754 -23.272 1.00 44.44 C ATOM 574 OG1 THR A 38 13.855 12.603 -22.132 1.00 11.42 O ATOM 575 CG2 THR A 38 12.277 11.909 -23.823 1.00 11.40 C ATOM 0 H THR A 38 14.907 10.345 -21.015 1.00 25.44 H new ATOM 0 HA THR A 38 13.155 9.663 -23.257 1.00 13.34 H new ATOM 0 HB THR A 38 14.396 12.044 -24.047 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.677 13.532 -22.387 1.00 11.42 H new ATOM 0 HG21 THR A 38 12.103 12.952 -24.088 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.162 11.285 -24.710 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.555 11.601 -23.067 1.00 11.40 H new ATOM 583 N VAL A 39 15.173 9.199 -24.684 1.00 70.42 N ATOM 584 CA VAL A 39 16.350 8.724 -25.403 1.00 33.14 C ATOM 585 C VAL A 39 17.359 9.848 -25.606 1.00 42.12 C ATOM 586 O VAL A 39 18.502 9.760 -25.156 1.00 10.21 O ATOM 587 CB VAL A 39 15.971 8.134 -26.773 1.00 65.42 C ATOM 588 CG1 VAL A 39 17.199 7.567 -27.469 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.898 7.068 -26.616 1.00 35.23 C ATOM 0 H VAL A 39 14.286 8.990 -25.143 1.00 70.42 H new ATOM 0 HA VAL A 39 16.800 7.941 -24.792 1.00 33.14 H new ATOM 0 HB VAL A 39 15.568 8.934 -27.394 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.911 7.154 -28.436 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.932 8.360 -27.617 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.635 6.780 -26.854 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.642 6.662 -27.595 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.271 6.267 -25.977 1.00 35.23 H new ATOM 0 HG23 VAL A 39 14.010 7.509 -26.163 1.00 35.23 H new ATOM 599 N LEU A 40 16.930 10.904 -26.288 1.00 4.40 N ATOM 600 CA LEU A 40 17.796 12.048 -26.553 1.00 4.13 C ATOM 601 C LEU A 40 18.399 12.585 -25.258 1.00 3.52 C ATOM 602 O LEU A 40 19.545 13.034 -25.234 1.00 65.40 O ATOM 603 CB LEU A 40 17.013 13.153 -27.262 1.00 11.34 C ATOM 604 CG LEU A 40 16.004 12.693 -28.313 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.471 13.881 -29.100 1.00 31.55 C ATOM 606 CD2 LEU A 40 16.636 11.673 -29.248 1.00 22.30 C ATOM 0 H LEU A 40 15.987 10.992 -26.668 1.00 4.40 H new ATOM 0 HA LEU A 40 18.608 11.716 -27.200 1.00 4.13 H new ATOM 0 HB2 LEU A 40 16.482 13.735 -26.509 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.725 13.825 -27.741 1.00 11.34 H new ATOM 0 HG LEU A 40 15.167 12.218 -27.801 1.00 34.30 H new ATOM 0 HD11 LEU A 40 14.754 13.533 -29.843 1.00 31.55 H new ATOM 0 HD12 LEU A 40 14.980 14.577 -28.420 1.00 31.55 H new ATOM 0 HD13 LEU A 40 16.297 14.386 -29.601 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.903 11.356 -29.990 1.00 22.30 H new ATOM 0 HD22 LEU A 40 17.492 12.122 -29.752 1.00 22.30 H new ATOM 0 HD23 LEU A 40 16.967 10.808 -28.673 1.00 22.30 H new ATOM 618 N ASP A 41 17.620 12.535 -24.183 1.00 72.45 N ATOM 619 CA ASP A 41 18.077 13.013 -22.884 1.00 42.14 C ATOM 620 C ASP A 41 19.099 12.055 -22.281 1.00 25.23 C ATOM 621 O ASP A 41 19.948 12.456 -21.485 1.00 10.41 O ATOM 622 CB ASP A 41 16.892 13.179 -21.932 1.00 13.44 C ATOM 623 CG ASP A 41 17.140 14.240 -20.878 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.998 15.118 -21.109 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.476 14.193 -19.821 1.00 64.23 O1- ATOM 0 H ASP A 41 16.668 12.168 -24.186 1.00 72.45 H new ATOM 0 HA ASP A 41 18.555 13.982 -23.029 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.003 13.442 -22.506 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.686 12.227 -21.443 1.00 13.44 H new ATOM 630 N VAL A 42 19.011 10.785 -22.665 1.00 2.11 N ATOM 631 CA VAL A 42 19.928 9.769 -22.162 1.00 13.25 C ATOM 632 C VAL A 42 21.289 9.873 -22.840 1.00 11.24 C ATOM 633 O VAL A 42 22.329 9.764 -22.189 1.00 54.34 O ATOM 634 CB VAL A 42 19.367 8.351 -22.378 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.376 7.303 -21.933 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.049 8.181 -21.637 1.00 61.21 C ATOM 0 H VAL A 42 18.314 10.436 -23.323 1.00 2.11 H new ATOM 0 HA VAL A 42 20.043 9.948 -21.093 1.00 13.25 H new ATOM 0 HB VAL A 42 19.180 8.212 -23.443 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.962 6.308 -22.093 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.293 7.412 -22.512 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.597 7.438 -20.874 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.667 7.173 -21.801 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.208 8.340 -20.570 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.326 8.908 -22.008 1.00 61.21 H new ATOM 646 N ALA A 43 21.276 10.088 -24.152 1.00 21.42 N ATOM 647 CA ALA A 43 22.510 10.210 -24.918 1.00 20.42 C ATOM 648 C ALA A 43 23.445 11.238 -24.291 1.00 42.52 C ATOM 649 O ALA A 43 24.667 11.132 -24.405 1.00 14.32 O ATOM 650 CB ALA A 43 22.201 10.584 -26.359 1.00 62.22 C ATOM 0 H ALA A 43 20.425 10.181 -24.706 1.00 21.42 H new ATOM 0 HA ALA A 43 23.014 9.244 -24.905 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.132 10.672 -26.920 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.577 9.812 -26.810 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.672 11.537 -26.382 1.00 62.22 H new ATOM 656 N HIS A 44 22.865 12.235 -23.631 1.00 12.51 N ATOM 657 CA HIS A 44 23.647 13.284 -22.986 1.00 50.24 C ATOM 658 C HIS A 44 24.385 12.740 -21.767 1.00 54.31 C ATOM 659 O HIS A 44 25.515 13.137 -21.484 1.00 12.45 O ATOM 660 CB HIS A 44 22.742 14.445 -22.574 1.00 75.20 C ATOM 661 CG HIS A 44 23.491 15.644 -22.078 1.00 61.53 C ATOM 662 ND1 HIS A 44 22.974 16.524 -21.152 1.00 44.12 N ATOM 663 CD2 HIS A 44 24.727 16.102 -22.384 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.859 17.475 -20.911 1.00 32.52 C ATOM 665 NE2 HIS A 44 24.932 17.242 -21.645 1.00 53.52 N ATOM 0 H HIS A 44 21.855 12.339 -23.529 1.00 12.51 H new ATOM 0 HA HIS A 44 24.384 13.646 -23.703 1.00 50.24 H new ATOM 0 HB2 HIS A 44 22.129 14.737 -23.427 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.061 14.104 -21.794 1.00 75.20 H new ATOM 0 HD2 HIS A 44 25.422 15.655 -23.079 1.00 13.23 H new ATOM 0 HE1 HIS A 44 23.727 18.302 -20.229 1.00 32.52 H new ATOM 0 HE2 HIS A 44 25.776 17.815 -21.661 1.00 53.52 H new ATOM 673 N LYS A 45 23.737 11.830 -21.048 1.00 13.22 N ATOM 674 CA LYS A 45 24.329 11.231 -19.858 1.00 44.10 C ATOM 675 C LYS A 45 25.256 10.079 -20.233 1.00 71.53 C ATOM 676 O LYS A 45 26.279 9.856 -19.588 1.00 73.03 O ATOM 677 CB LYS A 45 23.235 10.733 -18.913 1.00 74.53 C ATOM 678 CG LYS A 45 22.093 11.717 -18.731 1.00 40.45 C ATOM 679 CD LYS A 45 22.560 12.994 -18.053 1.00 63.15 C ATOM 680 CE LYS A 45 22.631 12.829 -16.543 1.00 32.12 C ATOM 681 NZ LYS A 45 22.643 14.143 -15.841 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.801 11.491 -21.269 1.00 13.22 H new ATOM 0 HA LYS A 45 24.916 11.996 -19.351 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.836 9.794 -19.296 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.677 10.519 -17.940 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.660 11.957 -19.702 1.00 40.45 H new ATOM 0 HG3 LYS A 45 21.305 11.255 -18.136 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.542 13.273 -18.436 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.879 13.808 -18.300 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.778 12.243 -16.201 1.00 32.12 H new ATOM 0 HE3 LYS A 45 23.529 12.269 -16.281 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 22.692 13.987 -14.814 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 23.471 14.693 -16.148 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 21.775 14.667 -16.071 1.00 61.40 H new ATOM 695 N ASN A 46 24.889 9.349 -21.283 1.00 44.51 N ATOM 696 CA ASN A 46 25.688 8.220 -21.744 1.00 43.23 C ATOM 697 C ASN A 46 26.970 8.699 -22.420 1.00 15.11 C ATOM 698 O ASN A 46 27.984 8.004 -22.416 1.00 20.00 O ATOM 699 CB ASN A 46 24.878 7.359 -22.716 1.00 55.02 C ATOM 700 CG ASN A 46 25.663 6.164 -23.222 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.559 5.664 -22.544 1.00 22.42 O ATOM 702 ND2 ASN A 46 25.327 5.700 -24.420 1.00 50.43 N ATOM 0 H ASN A 46 24.045 9.520 -21.829 1.00 44.51 H new ATOM 0 HA ASN A 46 25.959 7.620 -20.875 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.972 7.011 -22.220 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.564 7.969 -23.563 1.00 55.02 H new ATOM 0 HD21 ASN A 46 25.819 4.897 -24.812 1.00 50.43 H new ATOM 0 HD22 ASN A 46 24.577 6.146 -24.948 1.00 50.43 H new ATOM 709 N GLY A 47 26.915 9.895 -22.999 1.00 71.54 N ATOM 710 CA GLY A 47 28.076 10.448 -23.670 1.00 65.12 C ATOM 711 C GLY A 47 27.917 10.477 -25.177 1.00 62.25 C ATOM 712 O GLY A 47 28.703 11.112 -25.881 1.00 22.30 O ATOM 0 H GLY A 47 26.087 10.490 -23.015 1.00 71.54 H new ATOM 0 HA2 GLY A 47 28.253 11.460 -23.307 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.956 9.858 -23.412 1.00 65.12 H new ATOM 716 N VAL A 48 26.897 9.786 -25.677 1.00 31.22 N ATOM 717 CA VAL A 48 26.637 9.734 -27.110 1.00 41.02 C ATOM 718 C VAL A 48 26.383 11.127 -27.674 1.00 3.44 C ATOM 719 O VAL A 48 25.734 11.958 -27.037 1.00 22.32 O ATOM 720 CB VAL A 48 25.427 8.836 -27.430 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.148 8.825 -28.925 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.660 7.425 -26.912 1.00 32.44 C ATOM 0 H VAL A 48 26.237 9.254 -25.110 1.00 31.22 H new ATOM 0 HA VAL A 48 27.527 9.312 -27.577 1.00 41.02 H new ATOM 0 HB VAL A 48 24.551 9.244 -26.926 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.290 8.185 -29.130 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.934 9.839 -29.263 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.020 8.443 -29.455 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.795 6.804 -27.147 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.547 7.005 -27.386 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.804 7.453 -25.832 1.00 32.44 H new ATOM 732 N ASP A 49 26.900 11.378 -28.871 1.00 40.14 N ATOM 733 CA ASP A 49 26.729 12.671 -29.523 1.00 14.22 C ATOM 734 C ASP A 49 25.344 12.784 -30.153 1.00 34.02 C ATOM 735 O ASP A 49 25.182 12.587 -31.358 1.00 75.21 O ATOM 736 CB ASP A 49 27.806 12.876 -30.588 1.00 52.55 C ATOM 737 CG ASP A 49 27.866 14.309 -31.083 1.00 23.12 C ATOM 738 OD1 ASP A 49 26.825 14.820 -31.547 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.954 14.918 -31.006 1.00 61.21 O1- ATOM 0 H ASP A 49 27.442 10.703 -29.410 1.00 40.14 H new ATOM 0 HA ASP A 49 26.827 13.448 -28.765 1.00 14.22 H new ATOM 0 HB2 ASP A 49 28.776 12.595 -30.178 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.611 12.212 -31.430 1.00 52.55 H new ATOM 744 N LEU A 50 24.350 13.100 -29.331 1.00 12.10 N ATOM 745 CA LEU A 50 22.978 13.237 -29.808 1.00 14.20 C ATOM 746 C LEU A 50 22.463 14.656 -29.585 1.00 31.24 C ATOM 747 O LEU A 50 22.202 15.060 -28.452 1.00 24.23 O ATOM 748 CB LEU A 50 22.067 12.234 -29.098 1.00 11.15 C ATOM 749 CG LEU A 50 20.815 11.806 -29.863 1.00 12.15 C ATOM 750 CD1 LEU A 50 19.896 12.996 -30.092 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.193 11.159 -31.187 1.00 5.33 C ATOM 0 H LEU A 50 24.468 13.266 -28.332 1.00 12.10 H new ATOM 0 HA LEU A 50 22.970 13.031 -30.878 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.651 11.343 -28.869 1.00 11.15 H new ATOM 0 HB3 LEU A 50 21.757 12.666 -28.146 1.00 11.15 H new ATOM 0 HG LEU A 50 20.280 11.070 -29.262 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.010 12.672 -30.638 1.00 70.43 H new ATOM 0 HD12 LEU A 50 19.597 13.415 -29.131 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.421 13.755 -30.671 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.289 10.861 -31.718 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.751 11.872 -31.794 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.810 10.280 -30.999 1.00 5.33 H new ATOM 763 N GLU A 51 22.317 15.406 -30.672 1.00 42.03 N ATOM 764 CA GLU A 51 21.832 16.778 -30.595 1.00 10.23 C ATOM 765 C GLU A 51 20.517 16.847 -29.824 1.00 13.54 C ATOM 766 O GLU A 51 19.508 16.282 -30.243 1.00 53.10 O ATOM 767 CB GLU A 51 21.644 17.357 -31.999 1.00 31.11 C ATOM 768 CG GLU A 51 22.939 17.486 -32.782 1.00 52.24 C ATOM 769 CD GLU A 51 23.882 18.512 -32.185 1.00 43.15 C ATOM 770 OE1 GLU A 51 23.918 19.651 -32.695 1.00 1.52 O ATOM 771 OE2 GLU A 51 24.585 18.175 -31.209 1.00 52.23 O1- ATOM 0 H GLU A 51 22.528 15.086 -31.617 1.00 42.03 H new ATOM 0 HA GLU A 51 22.577 17.370 -30.063 1.00 10.23 H new ATOM 0 HB2 GLU A 51 20.954 16.722 -32.555 1.00 31.11 H new ATOM 0 HB3 GLU A 51 21.178 18.339 -31.919 1.00 31.11 H new ATOM 0 HG2 GLU A 51 23.437 16.517 -32.816 1.00 52.24 H new ATOM 0 HG3 GLU A 51 22.711 17.763 -33.811 1.00 52.24 H new ATOM 778 N GLY A 52 20.537 17.545 -28.692 1.00 12.13 N ATOM 779 CA GLY A 52 19.342 17.676 -27.879 1.00 24.25 C ATOM 780 C GLY A 52 18.818 19.097 -27.842 1.00 2.30 C ATOM 781 O GLY A 52 18.096 19.477 -26.920 1.00 4.31 O ATOM 0 H GLY A 52 21.360 18.022 -28.324 1.00 12.13 H new ATOM 0 HA2 GLY A 52 18.567 17.016 -28.269 1.00 24.25 H new ATOM 0 HA3 GLY A 52 19.560 17.346 -26.863 1.00 24.25 H new ATOM 785 N ALA A 53 19.182 19.887 -28.848 1.00 52.12 N ATOM 786 CA ALA A 53 18.744 21.275 -28.927 1.00 33.42 C ATOM 787 C ALA A 53 17.595 21.432 -29.918 1.00 10.05 C ATOM 788 O ALA A 53 17.799 21.394 -31.131 1.00 55.30 O ATOM 789 CB ALA A 53 19.907 22.174 -29.317 1.00 50.15 C ATOM 0 H ALA A 53 19.779 19.589 -29.619 1.00 52.12 H new ATOM 0 HA ALA A 53 18.383 21.573 -27.943 1.00 33.42 H new ATOM 0 HB1 ALA A 53 19.565 23.208 -29.372 1.00 50.15 H new ATOM 0 HB2 ALA A 53 20.697 22.092 -28.570 1.00 50.15 H new ATOM 0 HB3 ALA A 53 20.294 21.867 -30.289 1.00 50.15 H new ATOM 795 N CYS A 54 16.387 21.607 -29.393 1.00 34.24 N ATOM 796 CA CYS A 54 15.205 21.768 -30.230 1.00 31.12 C ATOM 797 C CYS A 54 15.373 22.945 -31.187 1.00 14.45 C ATOM 798 O CYS A 54 14.788 22.966 -32.269 1.00 72.33 O ATOM 799 CB CYS A 54 13.963 21.976 -29.362 1.00 13.14 C ATOM 800 SG CYS A 54 12.470 21.138 -29.985 1.00 52.32 S ATOM 0 H CYS A 54 16.201 21.641 -28.391 1.00 34.24 H new ATOM 0 HA CYS A 54 15.080 20.859 -30.818 1.00 31.12 H new ATOM 0 HB2 CYS A 54 14.173 21.618 -28.354 1.00 13.14 H new ATOM 0 HB3 CYS A 54 13.761 23.044 -29.285 1.00 13.14 H new ATOM 805 N GLU A 55 16.175 23.923 -30.777 1.00 44.31 N ATOM 806 CA GLU A 55 16.419 25.104 -31.598 1.00 23.53 C ATOM 807 C GLU A 55 17.899 25.227 -31.948 1.00 64.25 C ATOM 808 O GLU A 55 18.761 25.181 -31.073 1.00 31.55 O ATOM 809 CB GLU A 55 15.949 26.364 -30.870 1.00 10.53 C ATOM 810 CG GLU A 55 14.441 26.449 -30.709 1.00 5.40 C ATOM 811 CD GLU A 55 14.011 27.613 -29.835 1.00 64.45 C ATOM 812 OE1 GLU A 55 14.656 28.679 -29.910 1.00 45.22 O ATOM 813 OE2 GLU A 55 13.032 27.456 -29.077 1.00 62.34 O1- ATOM 0 H GLU A 55 16.666 23.921 -29.883 1.00 44.31 H new ATOM 0 HA GLU A 55 15.853 24.995 -32.523 1.00 23.53 H new ATOM 0 HB2 GLU A 55 16.413 26.398 -29.884 1.00 10.53 H new ATOM 0 HB3 GLU A 55 16.297 27.240 -31.417 1.00 10.53 H new ATOM 0 HG2 GLU A 55 13.980 26.548 -31.692 1.00 5.40 H new ATOM 0 HG3 GLU A 55 14.073 25.519 -30.276 1.00 5.40 H new ATOM 820 N GLY A 56 18.186 25.383 -33.238 1.00 75.32 N ATOM 821 CA GLY A 56 19.561 25.509 -33.682 1.00 1.23 C ATOM 822 C GLY A 56 19.669 26.103 -35.072 1.00 63.33 C ATOM 823 O GLY A 56 20.058 27.259 -35.232 1.00 13.22 O ATOM 0 H GLY A 56 17.490 25.424 -33.982 1.00 75.32 H new ATOM 0 HA2 GLY A 56 20.111 26.135 -32.979 1.00 1.23 H new ATOM 0 HA3 GLY A 56 20.034 24.527 -33.672 1.00 1.23 H new ATOM 827 N ASN A 57 19.325 25.309 -36.082 1.00 3.24 N ATOM 828 CA ASN A 57 19.389 25.763 -37.466 1.00 41.34 C ATOM 829 C ASN A 57 18.016 26.222 -37.950 1.00 5.42 C ATOM 830 O ASN A 57 17.688 26.094 -39.130 1.00 72.25 O ATOM 831 CB ASN A 57 19.912 24.644 -38.368 1.00 73.33 C ATOM 832 CG ASN A 57 21.179 24.010 -37.828 1.00 30.11 C ATOM 833 OD1 ASN A 57 22.284 24.491 -38.080 1.00 73.05 O ATOM 834 ND2 ASN A 57 21.024 22.924 -37.079 1.00 42.23 N ATOM 0 H ASN A 57 19.000 24.349 -35.967 1.00 3.24 H new ATOM 0 HA ASN A 57 20.074 26.609 -37.514 1.00 41.34 H new ATOM 0 HB2 ASN A 57 19.143 23.879 -38.475 1.00 73.33 H new ATOM 0 HB3 ASN A 57 20.105 25.044 -39.363 1.00 73.33 H new ATOM 0 HD21 ASN A 57 21.840 22.454 -36.687 1.00 42.23 H new ATOM 0 HD22 ASN A 57 20.089 22.560 -36.896 1.00 42.23 H new ATOM 841 N LEU A 58 17.220 26.759 -37.032 1.00 4.42 N ATOM 842 CA LEU A 58 15.884 27.239 -37.365 1.00 41.34 C ATOM 843 C LEU A 58 15.049 26.130 -37.998 1.00 13.11 C ATOM 844 O LEU A 58 14.205 26.388 -38.856 1.00 5.40 O ATOM 845 CB LEU A 58 15.971 28.434 -38.317 1.00 23.44 C ATOM 846 CG LEU A 58 16.952 29.537 -37.920 1.00 3.22 C ATOM 847 CD1 LEU A 58 17.012 30.611 -38.995 1.00 33.31 C ATOM 848 CD2 LEU A 58 16.561 30.143 -36.580 1.00 72.14 C ATOM 0 H LEU A 58 17.477 26.873 -36.051 1.00 4.42 H new ATOM 0 HA LEU A 58 15.398 27.553 -36.442 1.00 41.34 H new ATOM 0 HB2 LEU A 58 16.249 28.067 -39.305 1.00 23.44 H new ATOM 0 HB3 LEU A 58 14.978 28.874 -38.408 1.00 23.44 H new ATOM 0 HG LEU A 58 17.943 29.095 -37.821 1.00 3.22 H new ATOM 0 HD11 LEU A 58 17.715 31.388 -38.695 1.00 33.31 H new ATOM 0 HD12 LEU A 58 17.341 30.167 -39.935 1.00 33.31 H new ATOM 0 HD13 LEU A 58 16.023 31.049 -39.127 1.00 33.31 H new ATOM 0 HD21 LEU A 58 17.271 30.926 -36.314 1.00 72.14 H new ATOM 0 HD22 LEU A 58 15.560 30.569 -36.652 1.00 72.14 H new ATOM 0 HD23 LEU A 58 16.571 29.368 -35.813 1.00 72.14 H new ATOM 860 N ALA A 59 15.289 24.896 -37.567 1.00 41.33 N ATOM 861 CA ALA A 59 14.556 23.749 -38.088 1.00 2.32 C ATOM 862 C ALA A 59 14.897 22.482 -37.311 1.00 51.33 C ATOM 863 O ALA A 59 16.068 22.144 -37.136 1.00 34.41 O ATOM 864 CB ALA A 59 14.856 23.559 -39.568 1.00 14.22 C ATOM 0 H ALA A 59 15.985 24.665 -36.858 1.00 41.33 H new ATOM 0 HA ALA A 59 13.490 23.944 -37.966 1.00 2.32 H new ATOM 0 HB1 ALA A 59 14.302 22.699 -39.944 1.00 14.22 H new ATOM 0 HB2 ALA A 59 14.557 24.452 -40.117 1.00 14.22 H new ATOM 0 HB3 ALA A 59 15.924 23.390 -39.704 1.00 14.22 H new ATOM 870 N CYS A 60 13.865 21.784 -36.847 1.00 2.12 N ATOM 871 CA CYS A 60 14.055 20.553 -36.087 1.00 54.43 C ATOM 872 C CYS A 60 14.363 19.383 -37.016 1.00 5.00 C ATOM 873 O CYS A 60 13.507 18.538 -37.272 1.00 74.54 O ATOM 874 CB CYS A 60 12.806 20.246 -35.258 1.00 24.54 C ATOM 875 SG CYS A 60 12.883 20.857 -33.544 1.00 11.23 S ATOM 0 H CYS A 60 12.890 22.049 -36.984 1.00 2.12 H new ATOM 0 HA CYS A 60 14.903 20.694 -35.417 1.00 54.43 H new ATOM 0 HB2 CYS A 60 11.939 20.686 -35.751 1.00 24.54 H new ATOM 0 HB3 CYS A 60 12.650 19.167 -35.241 1.00 24.54 H new ATOM 880 N SER A 61 15.594 19.340 -37.517 1.00 41.10 N ATOM 881 CA SER A 61 16.015 18.276 -38.419 1.00 5.01 C ATOM 882 C SER A 61 16.867 17.246 -37.684 1.00 10.13 C ATOM 883 O SER A 61 17.709 16.576 -38.284 1.00 62.51 O ATOM 884 CB SER A 61 16.801 18.858 -39.596 1.00 20.22 C ATOM 885 OG SER A 61 16.182 20.033 -40.091 1.00 65.32 O ATOM 0 H SER A 61 16.317 20.030 -37.313 1.00 41.10 H new ATOM 0 HA SER A 61 15.122 17.779 -38.797 1.00 5.01 H new ATOM 0 HB2 SER A 61 17.819 19.085 -39.281 1.00 20.22 H new ATOM 0 HB3 SER A 61 16.871 18.117 -40.392 1.00 20.22 H new ATOM 0 HG SER A 61 16.704 20.387 -40.841 1.00 65.32 H new ATOM 891 N THR A 62 16.643 17.125 -36.379 1.00 5.34 N ATOM 892 CA THR A 62 17.390 16.179 -35.560 1.00 25.42 C ATOM 893 C THR A 62 16.498 15.034 -35.091 1.00 13.55 C ATOM 894 O THR A 62 16.977 13.934 -34.815 1.00 62.32 O ATOM 895 CB THR A 62 18.012 16.867 -34.331 1.00 15.43 C ATOM 896 OG1 THR A 62 17.091 17.819 -33.786 1.00 10.45 O ATOM 897 CG2 THR A 62 19.312 17.565 -34.701 1.00 33.53 C ATOM 0 H THR A 62 15.950 17.671 -35.867 1.00 5.34 H new ATOM 0 HA THR A 62 18.189 15.781 -36.186 1.00 25.42 H new ATOM 0 HB THR A 62 18.229 16.103 -33.585 1.00 15.43 H new ATOM 0 HG1 THR A 62 17.492 18.252 -33.004 1.00 10.45 H new ATOM 0 HG21 THR A 62 19.732 18.044 -33.817 1.00 33.53 H new ATOM 0 HG22 THR A 62 20.020 16.833 -35.089 1.00 33.53 H new ATOM 0 HG23 THR A 62 19.116 18.319 -35.463 1.00 33.53 H new ATOM 905 N CYS A 63 15.200 15.300 -35.003 1.00 12.42 N ATOM 906 CA CYS A 63 14.239 14.293 -34.567 1.00 3.52 C ATOM 907 C CYS A 63 14.338 13.038 -35.430 1.00 2.45 C ATOM 908 O CYS A 63 14.068 11.931 -34.966 1.00 4.13 O ATOM 909 CB CYS A 63 12.817 14.856 -34.626 1.00 25.53 C ATOM 910 SG CYS A 63 12.218 15.529 -33.042 1.00 22.10 S ATOM 0 H CYS A 63 14.788 16.206 -35.228 1.00 12.42 H new ATOM 0 HA CYS A 63 14.473 14.024 -33.537 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.780 15.642 -35.380 1.00 25.53 H new ATOM 0 HB3 CYS A 63 12.139 14.068 -34.954 1.00 25.53 H new ATOM 915 N HIS A 64 14.729 13.222 -36.687 1.00 63.44 N ATOM 916 CA HIS A 64 14.864 12.104 -37.615 1.00 3.42 C ATOM 917 C HIS A 64 16.033 11.207 -37.218 1.00 30.22 C ATOM 918 O HIS A 64 17.190 11.516 -37.502 1.00 61.33 O ATOM 919 CB HIS A 64 15.064 12.619 -39.041 1.00 52.43 C ATOM 920 CG HIS A 64 14.038 13.626 -39.463 1.00 13.30 C ATOM 921 ND1 HIS A 64 14.289 14.610 -40.396 1.00 62.35 N ATOM 922 CD2 HIS A 64 12.753 13.798 -39.073 1.00 65.44 C ATOM 923 CE1 HIS A 64 13.203 15.343 -40.562 1.00 13.15 C ATOM 924 NE2 HIS A 64 12.256 14.871 -39.771 1.00 23.12 N ATOM 0 H HIS A 64 14.958 14.132 -37.086 1.00 63.44 H new ATOM 0 HA HIS A 64 13.947 11.517 -37.574 1.00 3.42 H new ATOM 0 HB2 HIS A 64 16.055 13.066 -39.122 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.038 11.775 -39.730 1.00 52.43 H new ATOM 0 HD2 HIS A 64 12.218 13.202 -38.348 1.00 65.44 H new ATOM 0 HE1 HIS A 64 13.106 16.185 -41.231 1.00 13.15 H new ATOM 0 HE2 HIS A 64 11.310 15.243 -39.692 1.00 23.12 H new ATOM 932 N VAL A 65 15.722 10.096 -36.558 1.00 61.11 N ATOM 933 CA VAL A 65 16.746 9.154 -36.123 1.00 32.34 C ATOM 934 C VAL A 65 16.412 7.735 -36.567 1.00 22.50 C ATOM 935 O VAL A 65 15.258 7.419 -36.857 1.00 34.33 O ATOM 936 CB VAL A 65 16.912 9.174 -34.591 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.205 8.483 -34.184 1.00 72.25 C ATOM 938 CG2 VAL A 65 16.875 10.603 -34.071 1.00 23.01 C ATOM 0 H VAL A 65 14.769 9.826 -36.313 1.00 61.11 H new ATOM 0 HA VAL A 65 17.681 9.467 -36.588 1.00 32.34 H new ATOM 0 HB VAL A 65 16.081 8.627 -34.146 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.305 8.507 -33.099 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.187 7.447 -34.524 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.051 8.999 -34.638 1.00 72.25 H new ATOM 0 HG21 VAL A 65 16.994 10.599 -32.987 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.685 11.176 -34.523 1.00 23.01 H new ATOM 0 HG23 VAL A 65 15.920 11.060 -34.330 1.00 23.01 H new ATOM 948 N ILE A 66 17.430 6.882 -36.620 1.00 21.12 N ATOM 949 CA ILE A 66 17.245 5.495 -37.028 1.00 32.41 C ATOM 950 C ILE A 66 16.935 4.605 -35.829 1.00 54.10 C ATOM 951 O ILE A 66 17.632 4.647 -34.814 1.00 14.31 O ATOM 952 CB ILE A 66 18.491 4.948 -37.750 1.00 13.50 C ATOM 953 CG1 ILE A 66 18.808 5.800 -38.980 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.280 3.495 -38.144 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.272 6.159 -39.106 1.00 62.21 C ATOM 0 H ILE A 66 18.392 7.128 -36.385 1.00 21.12 H new ATOM 0 HA ILE A 66 16.400 5.480 -37.717 1.00 32.41 H new ATOM 0 HB ILE A 66 19.340 4.998 -37.068 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.496 5.262 -39.875 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.220 6.717 -38.938 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.169 3.123 -38.653 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.098 2.898 -37.250 1.00 64.43 H new ATOM 0 HG23 ILE A 66 17.422 3.420 -38.812 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.423 6.763 -40.000 1.00 62.21 H new ATOM 0 HD12 ILE A 66 20.585 6.725 -38.229 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.865 5.247 -39.180 1.00 62.21 H new ATOM 967 N LEU A 67 15.885 3.801 -35.952 1.00 62.31 N ATOM 968 CA LEU A 67 15.483 2.898 -34.878 1.00 64.04 C ATOM 969 C LEU A 67 15.538 1.445 -35.340 1.00 12.11 C ATOM 970 O LEU A 67 15.639 1.167 -36.534 1.00 61.41 O ATOM 971 CB LEU A 67 14.071 3.240 -34.400 1.00 53.02 C ATOM 972 CG LEU A 67 13.646 2.621 -33.068 1.00 54.25 C ATOM 973 CD1 LEU A 67 14.653 2.953 -31.980 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.256 3.102 -32.677 1.00 10.33 C ATOM 0 H LEU A 67 15.296 3.755 -36.784 1.00 62.31 H new ATOM 0 HA LEU A 67 16.181 3.024 -34.050 1.00 64.04 H new ATOM 0 HB2 LEU A 67 13.990 4.324 -34.317 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.363 2.925 -35.167 1.00 53.02 H new ATOM 0 HG LEU A 67 13.614 1.538 -33.186 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.334 2.504 -31.039 1.00 12.14 H new ATOM 0 HD12 LEU A 67 15.631 2.559 -32.257 1.00 12.14 H new ATOM 0 HD13 LEU A 67 14.718 4.035 -31.862 1.00 12.14 H new ATOM 0 HD21 LEU A 67 11.969 2.652 -31.727 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.261 4.187 -32.577 1.00 10.33 H new ATOM 0 HD23 LEU A 67 11.541 2.812 -33.447 1.00 10.33 H new ATOM 986 N GLU A 68 15.468 0.523 -34.384 1.00 71.02 N ATOM 987 CA GLU A 68 15.508 -0.901 -34.694 1.00 2.24 C ATOM 988 C GLU A 68 14.762 -1.197 -35.991 1.00 45.14 C ATOM 989 O GLU A 68 13.669 -0.682 -36.222 1.00 70.41 O ATOM 990 CB GLU A 68 14.900 -1.712 -33.547 1.00 2.12 C ATOM 991 CG GLU A 68 15.492 -1.381 -32.187 1.00 61.11 C ATOM 992 CD GLU A 68 14.657 -0.378 -31.416 1.00 60.41 C ATOM 993 OE1 GLU A 68 13.415 -0.417 -31.545 1.00 23.25 O ATOM 994 OE2 GLU A 68 15.245 0.445 -30.684 1.00 54.52 O1- ATOM 0 H GLU A 68 15.383 0.737 -33.390 1.00 71.02 H new ATOM 0 HA GLU A 68 16.551 -1.190 -34.821 1.00 2.24 H new ATOM 0 HB2 GLU A 68 13.825 -1.536 -33.519 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.044 -2.774 -33.748 1.00 2.12 H new ATOM 0 HG2 GLU A 68 15.585 -2.296 -31.603 1.00 61.11 H new ATOM 0 HG3 GLU A 68 16.499 -0.984 -32.320 1.00 61.11 H new ATOM 1001 N GLU A 69 15.363 -2.030 -36.836 1.00 22.44 N ATOM 1002 CA GLU A 69 14.757 -2.394 -38.111 1.00 73.04 C ATOM 1003 C GLU A 69 13.470 -3.185 -37.895 1.00 43.43 C ATOM 1004 O GLU A 69 12.396 -2.813 -38.371 1.00 23.14 O ATOM 1005 CB GLU A 69 15.738 -3.213 -38.952 1.00 71.35 C ATOM 1006 CG GLU A 69 15.977 -2.640 -40.338 1.00 42.54 C ATOM 1007 CD GLU A 69 16.571 -3.656 -41.296 1.00 13.13 C ATOM 1008 OE1 GLU A 69 17.814 -3.709 -41.408 1.00 54.15 O ATOM 1009 OE2 GLU A 69 15.793 -4.397 -41.931 1.00 42.34 O1- ATOM 0 H GLU A 69 16.269 -2.465 -36.660 1.00 22.44 H new ATOM 0 HA GLU A 69 14.513 -1.475 -38.644 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.690 -3.276 -38.425 1.00 71.35 H new ATOM 0 HB3 GLU A 69 15.359 -4.230 -39.049 1.00 71.35 H new ATOM 0 HG2 GLU A 69 15.034 -2.273 -40.743 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.646 -1.783 -40.262 1.00 42.54 H new ATOM 1016 N PRO A 70 13.579 -4.303 -37.163 1.00 54.22 N ATOM 1017 CA PRO A 70 12.434 -5.170 -36.867 1.00 20.10 C ATOM 1018 C PRO A 70 11.446 -4.519 -35.906 1.00 1.22 C ATOM 1019 O PRO A 70 10.247 -4.457 -36.180 1.00 33.25 O ATOM 1020 CB PRO A 70 13.079 -6.400 -36.221 1.00 54.11 C ATOM 1021 CG PRO A 70 14.358 -5.898 -35.644 1.00 53.54 C ATOM 1022 CD PRO A 70 14.827 -4.806 -36.566 1.00 23.21 C ATOM 0 HA PRO A 70 11.852 -5.396 -37.761 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.437 -6.825 -35.450 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.257 -7.185 -36.956 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.208 -5.518 -34.633 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.097 -6.697 -35.578 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.357 -4.023 -36.024 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.510 -5.187 -37.325 1.00 23.21 H new ATOM 1030 N LEU A 71 11.957 -4.034 -34.779 1.00 73.21 N ATOM 1031 CA LEU A 71 11.119 -3.386 -33.776 1.00 71.13 C ATOM 1032 C LEU A 71 10.265 -2.291 -34.406 1.00 14.24 C ATOM 1033 O LEU A 71 9.056 -2.223 -34.178 1.00 22.31 O ATOM 1034 CB LEU A 71 11.986 -2.796 -32.663 1.00 11.33 C ATOM 1035 CG LEU A 71 11.497 -3.035 -31.233 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.648 -3.472 -30.341 1.00 70.15 C ATOM 1037 CD2 LEU A 71 10.837 -1.781 -30.679 1.00 52.41 C ATOM 0 H LEU A 71 12.947 -4.077 -34.537 1.00 73.21 H new ATOM 0 HA LEU A 71 10.456 -4.139 -33.350 1.00 71.13 H new ATOM 0 HB2 LEU A 71 12.991 -3.208 -32.756 1.00 11.33 H new ATOM 0 HB3 LEU A 71 12.066 -1.721 -32.823 1.00 11.33 H new ATOM 0 HG LEU A 71 10.756 -3.834 -31.252 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.281 -3.637 -29.328 1.00 70.15 H new ATOM 0 HD12 LEU A 71 13.077 -4.397 -30.727 1.00 70.15 H new ATOM 0 HD13 LEU A 71 13.413 -2.696 -30.328 1.00 70.15 H new ATOM 0 HD21 LEU A 71 10.495 -1.969 -29.661 1.00 52.41 H new ATOM 0 HD22 LEU A 71 11.557 -0.963 -30.675 1.00 52.41 H new ATOM 0 HD23 LEU A 71 9.985 -1.512 -31.304 1.00 52.41 H new ATOM 1049 N TYR A 72 10.899 -1.436 -35.200 1.00 23.13 N ATOM 1050 CA TYR A 72 10.198 -0.343 -35.862 1.00 72.33 C ATOM 1051 C TYR A 72 9.182 -0.877 -36.867 1.00 64.33 C ATOM 1052 O TYR A 72 8.003 -0.526 -36.822 1.00 54.01 O ATOM 1053 CB TYR A 72 11.195 0.578 -36.569 1.00 62.53 C ATOM 1054 CG TYR A 72 10.578 1.859 -37.080 1.00 74.02 C ATOM 1055 CD1 TYR A 72 9.780 1.864 -38.218 1.00 13.23 C ATOM 1056 CD2 TYR A 72 10.794 3.067 -36.427 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.216 3.034 -38.689 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.231 4.239 -36.890 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.444 4.218 -38.022 1.00 14.41 C ATOM 1060 OH TYR A 72 8.882 5.386 -38.487 1.00 23.11 O ATOM 0 H TYR A 72 11.898 -1.479 -35.401 1.00 23.13 H new ATOM 0 HA TYR A 72 9.665 0.226 -35.100 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.002 0.823 -35.879 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.643 0.041 -37.405 1.00 62.53 H new ATOM 0 HD1 TYR A 72 9.598 0.938 -38.743 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.413 3.089 -35.542 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.599 3.021 -39.576 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.406 5.168 -36.368 1.00 12.54 H new ATOM 0 HH TYR A 72 9.500 6.131 -38.333 1.00 23.11 H new ATOM 1070 N ARG A 73 9.648 -1.731 -37.773 1.00 65.44 N ATOM 1071 CA ARG A 73 8.782 -2.315 -38.791 1.00 14.13 C ATOM 1072 C ARG A 73 7.540 -2.935 -38.156 1.00 11.43 C ATOM 1073 O ARG A 73 6.418 -2.702 -38.606 1.00 2.21 O ATOM 1074 CB ARG A 73 9.541 -3.374 -39.591 1.00 24.52 C ATOM 1075 CG ARG A 73 8.959 -3.629 -40.971 1.00 20.20 C ATOM 1076 CD ARG A 73 7.686 -4.458 -40.893 1.00 62.31 C ATOM 1077 NE ARG A 73 7.449 -5.212 -42.122 1.00 14.20 N ATOM 1078 CZ ARG A 73 6.287 -5.786 -42.418 1.00 65.04 C ATOM 1079 NH1 ARG A 73 5.264 -5.692 -41.581 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 6.149 -6.455 -43.556 1.00 13.35 N ATOM 0 H ARG A 73 10.621 -2.034 -37.823 1.00 65.44 H new ATOM 0 HA ARG A 73 8.467 -1.518 -39.465 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.580 -3.062 -39.696 1.00 24.52 H new ATOM 0 HB3 ARG A 73 9.544 -4.308 -39.029 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.746 -2.678 -41.459 1.00 20.20 H new ATOM 0 HG3 ARG A 73 9.694 -4.146 -41.588 1.00 20.20 H new ATOM 0 HD2 ARG A 73 7.753 -5.148 -40.052 1.00 62.31 H new ATOM 0 HD3 ARG A 73 6.837 -3.802 -40.700 1.00 62.31 H new ATOM 0 HE ARG A 73 8.216 -5.303 -42.788 1.00 14.20 H new ATOM 0 HH11 ARG A 73 5.367 -5.178 -40.706 1.00 12.32 H new ATOM 0 HH12 ARG A 73 4.374 -6.134 -41.812 1.00 12.32 H new ATOM 0 HH21 ARG A 73 6.934 -6.529 -44.203 1.00 13.35 H new ATOM 0 HH22 ARG A 73 5.258 -6.896 -43.784 1.00 13.35 H new ATOM 1094 N LYS A 74 7.749 -3.726 -37.110 1.00 33.12 N ATOM 1095 CA LYS A 74 6.648 -4.379 -36.412 1.00 31.02 C ATOM 1096 C LYS A 74 5.760 -3.353 -35.714 1.00 63.21 C ATOM 1097 O LYS A 74 4.540 -3.509 -35.659 1.00 75.00 O ATOM 1098 CB LYS A 74 7.188 -5.381 -35.389 1.00 65.31 C ATOM 1099 CG LYS A 74 7.488 -6.749 -35.977 1.00 40.52 C ATOM 1100 CD LYS A 74 7.560 -7.817 -34.900 1.00 34.44 C ATOM 1101 CE LYS A 74 8.058 -9.141 -35.458 1.00 41.15 C ATOM 1102 NZ LYS A 74 7.075 -9.752 -36.396 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.672 -3.931 -36.726 1.00 33.12 H new ATOM 0 HA LYS A 74 6.048 -4.910 -37.151 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.098 -4.979 -34.944 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.462 -5.492 -34.584 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.716 -7.012 -36.700 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.433 -6.713 -36.519 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.224 -7.485 -34.101 1.00 34.44 H new ATOM 0 HD3 LYS A 74 6.573 -7.956 -34.458 1.00 34.44 H new ATOM 0 HE2 LYS A 74 9.005 -8.984 -35.975 1.00 41.15 H new ATOM 0 HE3 LYS A 74 8.254 -9.831 -34.637 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 7.451 -10.653 -36.755 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 6.180 -9.925 -35.896 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.907 -9.105 -37.193 1.00 30.01 H new ATOM 1116 N LEU A 75 6.380 -2.305 -35.184 1.00 52.50 N ATOM 1117 CA LEU A 75 5.646 -1.251 -34.490 1.00 65.55 C ATOM 1118 C LEU A 75 4.693 -0.536 -35.442 1.00 75.21 C ATOM 1119 O LEU A 75 3.477 -0.564 -35.256 1.00 64.44 O ATOM 1120 CB LEU A 75 6.619 -0.246 -33.874 1.00 21.23 C ATOM 1121 CG LEU A 75 6.732 -0.270 -32.349 1.00 41.12 C ATOM 1122 CD1 LEU A 75 5.467 0.281 -31.711 1.00 62.14 C ATOM 1123 CD2 LEU A 75 7.008 -1.684 -31.857 1.00 51.32 C ATOM 0 H LEU A 75 7.389 -2.162 -35.221 1.00 52.50 H new ATOM 0 HA LEU A 75 5.059 -1.712 -33.696 1.00 65.55 H new ATOM 0 HB2 LEU A 75 7.609 -0.424 -34.295 1.00 21.23 H new ATOM 0 HB3 LEU A 75 6.318 0.756 -34.180 1.00 21.23 H new ATOM 0 HG LEU A 75 7.568 0.365 -32.056 1.00 41.12 H new ATOM 0 HD11 LEU A 75 5.566 0.256 -30.626 1.00 62.14 H new ATOM 0 HD12 LEU A 75 5.313 1.309 -32.038 1.00 62.14 H new ATOM 0 HD13 LEU A 75 4.614 -0.327 -32.011 1.00 62.14 H new ATOM 0 HD21 LEU A 75 7.085 -1.682 -30.770 1.00 51.32 H new ATOM 0 HD22 LEU A 75 6.193 -2.341 -32.162 1.00 51.32 H new ATOM 0 HD23 LEU A 75 7.943 -2.043 -32.287 1.00 51.32 H new ATOM 1135 N GLY A 76 5.254 0.105 -36.464 1.00 21.42 N ATOM 1136 CA GLY A 76 4.439 0.816 -37.431 1.00 10.52 C ATOM 1137 C GLY A 76 5.271 1.636 -38.397 1.00 14.51 C ATOM 1138 O GLY A 76 6.428 1.949 -38.119 1.00 71.33 O ATOM 0 H GLY A 76 6.258 0.144 -36.639 1.00 21.42 H new ATOM 0 HA2 GLY A 76 3.837 0.100 -37.991 1.00 10.52 H new ATOM 0 HA3 GLY A 76 3.746 1.472 -36.905 1.00 10.52 H new ATOM 1142 N GLU A 77 4.679 1.986 -39.536 1.00 31.22 N ATOM 1143 CA GLU A 77 5.374 2.773 -40.547 1.00 3.31 C ATOM 1144 C GLU A 77 4.491 3.906 -41.057 1.00 55.51 C ATOM 1145 O GLU A 77 3.263 3.861 -40.964 1.00 65.31 O ATOM 1146 CB GLU A 77 5.804 1.881 -41.713 1.00 60.22 C ATOM 1147 CG GLU A 77 4.747 0.869 -42.126 1.00 64.43 C ATOM 1148 CD GLU A 77 3.482 1.524 -42.643 1.00 52.41 C ATOM 1149 OE1 GLU A 77 2.443 1.433 -41.957 1.00 31.24 O ATOM 1150 OE2 GLU A 77 3.530 2.130 -43.735 1.00 22.41 O1- ATOM 0 H GLU A 77 3.721 1.737 -39.780 1.00 31.22 H new ATOM 0 HA GLU A 77 6.261 3.208 -40.086 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.048 2.509 -42.570 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.715 1.350 -41.437 1.00 60.22 H new ATOM 0 HG2 GLU A 77 5.156 0.217 -42.898 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.502 0.237 -41.273 1.00 64.43 H new ATOM 1157 N PRO A 78 5.127 4.950 -41.611 1.00 13.34 N ATOM 1158 CA PRO A 78 4.418 6.116 -42.147 1.00 21.23 C ATOM 1159 C PRO A 78 3.643 5.788 -43.419 1.00 62.01 C ATOM 1160 O PRO A 78 3.841 4.734 -44.023 1.00 42.25 O ATOM 1161 CB PRO A 78 5.544 7.108 -42.446 1.00 40.44 C ATOM 1162 CG PRO A 78 6.749 6.259 -42.662 1.00 2.43 C ATOM 1163 CD PRO A 78 6.587 5.071 -41.754 1.00 41.44 C ATOM 0 HA PRO A 78 3.671 6.496 -41.450 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.319 7.708 -43.328 1.00 40.44 H new ATOM 0 HB3 PRO A 78 5.691 7.801 -41.618 1.00 40.44 H new ATOM 0 HG2 PRO A 78 6.825 5.947 -43.704 1.00 2.43 H new ATOM 0 HG3 PRO A 78 7.661 6.808 -42.427 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.025 4.171 -42.187 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.073 5.231 -40.792 1.00 41.44 H new ATOM 1171 N SER A 79 2.762 6.698 -43.821 1.00 1.54 N ATOM 1172 CA SER A 79 1.955 6.505 -45.020 1.00 22.12 C ATOM 1173 C SER A 79 2.843 6.299 -46.243 1.00 55.34 C ATOM 1174 O SER A 79 4.060 6.466 -46.176 1.00 42.34 O ATOM 1175 CB SER A 79 1.034 7.706 -45.239 1.00 75.41 C ATOM 1176 OG SER A 79 0.060 7.427 -46.230 1.00 71.31 O ATOM 0 H SER A 79 2.589 7.577 -43.334 1.00 1.54 H new ATOM 0 HA SER A 79 1.346 5.612 -44.880 1.00 22.12 H new ATOM 0 HB2 SER A 79 0.541 7.966 -44.302 1.00 75.41 H new ATOM 0 HB3 SER A 79 1.625 8.572 -45.539 1.00 75.41 H new ATOM 0 HG SER A 79 -0.518 8.209 -46.350 1.00 71.31 H new ATOM 1182 N ASP A 80 2.222 5.937 -47.361 1.00 2.42 N ATOM 1183 CA ASP A 80 2.954 5.710 -48.602 1.00 64.33 C ATOM 1184 C ASP A 80 3.692 6.972 -49.037 1.00 41.21 C ATOM 1185 O ASP A 80 4.808 6.906 -49.553 1.00 61.31 O ATOM 1186 CB ASP A 80 1.998 5.256 -49.706 1.00 42.53 C ATOM 1187 CG ASP A 80 1.057 4.162 -49.244 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.170 4.401 -49.230 1.00 61.52 O ATOM 1189 OD2 ASP A 80 1.545 3.067 -48.897 1.00 62.51 O1- ATOM 0 H ASP A 80 1.215 5.795 -47.433 1.00 2.42 H new ATOM 0 HA ASP A 80 3.689 4.925 -48.423 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.415 6.110 -50.052 1.00 42.53 H new ATOM 0 HB3 ASP A 80 2.576 4.898 -50.558 1.00 42.53 H new ATOM 1194 N LYS A 81 3.060 8.122 -48.826 1.00 63.24 N ATOM 1195 CA LYS A 81 3.655 9.400 -49.196 1.00 42.30 C ATOM 1196 C LYS A 81 5.058 9.537 -48.612 1.00 52.43 C ATOM 1197 O LYS A 81 6.039 9.641 -49.349 1.00 13.12 O ATOM 1198 CB LYS A 81 2.775 10.556 -48.713 1.00 24.44 C ATOM 1199 CG LYS A 81 3.369 11.927 -48.982 1.00 13.30 C ATOM 1200 CD LYS A 81 3.540 12.177 -50.471 1.00 11.42 C ATOM 1201 CE LYS A 81 2.202 12.418 -51.153 1.00 51.52 C ATOM 1202 NZ LYS A 81 2.217 11.976 -52.575 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.136 8.195 -48.401 1.00 63.24 H new ATOM 0 HA LYS A 81 3.728 9.437 -50.283 1.00 42.30 H new ATOM 0 HB2 LYS A 81 1.802 10.489 -49.200 1.00 24.44 H new ATOM 0 HB3 LYS A 81 2.603 10.448 -47.642 1.00 24.44 H new ATOM 0 HG2 LYS A 81 2.724 12.695 -48.555 1.00 13.30 H new ATOM 0 HG3 LYS A 81 4.335 12.010 -48.485 1.00 13.30 H new ATOM 0 HD2 LYS A 81 4.188 13.040 -50.624 1.00 11.42 H new ATOM 0 HD3 LYS A 81 4.035 11.321 -50.930 1.00 11.42 H new ATOM 0 HE2 LYS A 81 1.419 11.884 -50.615 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.956 13.479 -51.105 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 1.287 12.157 -53.005 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 2.947 12.503 -53.095 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 2.427 10.958 -52.620 1.00 62.13 H new ATOM 1216 N GLU A 82 5.145 9.534 -47.286 1.00 13.40 N ATOM 1217 CA GLU A 82 6.428 9.657 -46.605 1.00 22.15 C ATOM 1218 C GLU A 82 7.291 8.421 -46.843 1.00 24.23 C ATOM 1219 O GLU A 82 8.513 8.517 -46.961 1.00 2.21 O ATOM 1220 CB GLU A 82 6.217 9.862 -45.103 1.00 53.12 C ATOM 1221 CG GLU A 82 5.669 11.235 -44.748 1.00 71.53 C ATOM 1222 CD GLU A 82 6.687 12.339 -44.952 1.00 12.30 C ATOM 1223 OE1 GLU A 82 7.891 12.024 -45.054 1.00 14.14 O ATOM 1224 OE2 GLU A 82 6.280 13.519 -45.008 1.00 32.01 O1- ATOM 0 H GLU A 82 4.343 9.448 -46.662 1.00 13.40 H new ATOM 0 HA GLU A 82 6.945 10.525 -47.014 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.531 9.100 -44.733 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.166 9.714 -44.588 1.00 53.12 H new ATOM 0 HG2 GLU A 82 4.789 11.440 -45.358 1.00 71.53 H new ATOM 0 HG3 GLU A 82 5.343 11.234 -43.708 1.00 71.53 H new ATOM 1231 N TYR A 83 6.647 7.262 -46.913 1.00 32.52 N ATOM 1232 CA TYR A 83 7.355 6.006 -47.134 1.00 21.41 C ATOM 1233 C TYR A 83 8.184 6.066 -48.413 1.00 74.33 C ATOM 1234 O TYR A 83 9.384 5.792 -48.402 1.00 30.25 O ATOM 1235 CB TYR A 83 6.363 4.844 -47.209 1.00 60.15 C ATOM 1236 CG TYR A 83 7.023 3.484 -47.228 1.00 3.54 C ATOM 1237 CD1 TYR A 83 7.755 3.060 -48.332 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.918 2.624 -46.143 1.00 72.12 C ATOM 1239 CE1 TYR A 83 8.359 1.818 -48.353 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.521 1.381 -46.155 1.00 71.42 C ATOM 1241 CZ TYR A 83 8.240 0.982 -47.262 1.00 11.20 C ATOM 1242 OH TYR A 83 8.841 -0.255 -47.278 1.00 41.13 O ATOM 0 H TYR A 83 5.636 7.165 -46.820 1.00 32.52 H new ATOM 0 HA TYR A 83 8.030 5.845 -46.293 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.687 4.899 -46.355 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.753 4.955 -48.106 1.00 60.15 H new ATOM 0 HD1 TYR A 83 7.853 3.713 -49.187 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.355 2.932 -45.274 1.00 72.12 H new ATOM 0 HE1 TYR A 83 8.922 1.503 -49.219 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.430 0.725 -45.302 1.00 71.42 H new ATOM 0 HH TYR A 83 8.661 -0.717 -46.433 1.00 41.13 H new ATOM 1252 N ASP A 84 7.534 6.427 -49.515 1.00 24.14 N ATOM 1253 CA ASP A 84 8.211 6.525 -50.803 1.00 41.30 C ATOM 1254 C ASP A 84 9.243 7.648 -50.790 1.00 24.23 C ATOM 1255 O ASP A 84 10.357 7.487 -51.294 1.00 11.41 O ATOM 1256 CB ASP A 84 7.194 6.765 -51.920 1.00 33.25 C ATOM 1257 CG ASP A 84 7.586 6.083 -53.216 1.00 12.43 C ATOM 1258 OD1 ASP A 84 6.705 5.471 -53.855 1.00 71.12 O ATOM 1259 OD2 ASP A 84 8.774 6.163 -53.591 1.00 45.14 O1- ATOM 0 H ASP A 84 6.540 6.656 -49.542 1.00 24.14 H new ATOM 0 HA ASP A 84 8.727 5.583 -50.987 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.217 6.401 -51.602 1.00 33.25 H new ATOM 0 HB3 ASP A 84 7.094 7.837 -52.092 1.00 33.25 H new ATOM 1264 N LEU A 85 8.869 8.784 -50.213 1.00 20.31 N ATOM 1265 CA LEU A 85 9.762 9.934 -50.135 1.00 5.33 C ATOM 1266 C LEU A 85 11.078 9.557 -49.462 1.00 63.15 C ATOM 1267 O LEU A 85 12.144 10.039 -49.849 1.00 64.22 O ATOM 1268 CB LEU A 85 9.092 11.075 -49.367 1.00 32.10 C ATOM 1269 CG LEU A 85 9.796 12.430 -49.428 1.00 40.23 C ATOM 1270 CD1 LEU A 85 9.894 12.915 -50.867 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.064 13.451 -48.569 1.00 5.43 C ATOM 0 H LEU A 85 7.952 8.933 -49.792 1.00 20.31 H new ATOM 0 HA LEU A 85 9.976 10.265 -51.151 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.079 11.197 -49.749 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.005 10.780 -48.321 1.00 32.10 H new ATOM 0 HG LEU A 85 10.806 12.312 -49.035 1.00 40.23 H new ATOM 0 HD11 LEU A 85 10.398 13.881 -50.892 1.00 13.40 H new ATOM 0 HD12 LEU A 85 10.462 12.194 -51.456 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.893 13.017 -51.285 1.00 13.40 H new ATOM 0 HD21 LEU A 85 9.580 14.410 -48.625 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.043 13.567 -48.932 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.045 13.109 -47.534 1.00 5.43 H new ATOM 1283 N ILE A 86 10.996 8.693 -48.457 1.00 45.10 N ATOM 1284 CA ILE A 86 12.182 8.249 -47.734 1.00 32.42 C ATOM 1285 C ILE A 86 12.992 7.257 -48.562 1.00 52.13 C ATOM 1286 O ILE A 86 14.194 7.435 -48.762 1.00 14.31 O ATOM 1287 CB ILE A 86 11.809 7.594 -46.391 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.040 8.583 -45.513 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.059 7.102 -45.676 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.027 7.924 -44.603 1.00 63.41 C ATOM 0 H ILE A 86 10.122 8.286 -48.124 1.00 45.10 H new ATOM 0 HA ILE A 86 12.785 9.136 -47.542 1.00 32.42 H new ATOM 0 HB ILE A 86 11.166 6.736 -46.588 1.00 62.20 H new ATOM 0 HG12 ILE A 86 11.750 9.145 -44.906 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.528 9.302 -46.153 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.779 6.642 -44.729 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.569 6.368 -46.299 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.725 7.944 -45.487 1.00 11.21 H new ATOM 0 HD11 ILE A 86 9.520 8.686 -44.011 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.295 7.385 -45.204 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.535 7.226 -43.938 1.00 63.41 H new ATOM 1302 N ASP A 87 12.326 6.213 -49.043 1.00 50.21 N ATOM 1303 CA ASP A 87 12.983 5.194 -49.853 1.00 61.54 C ATOM 1304 C ASP A 87 13.594 5.808 -51.108 1.00 73.01 C ATOM 1305 O ASP A 87 14.496 5.232 -51.716 1.00 74.03 O ATOM 1306 CB ASP A 87 11.988 4.098 -50.239 1.00 35.13 C ATOM 1307 CG ASP A 87 12.674 2.818 -50.672 1.00 41.55 C ATOM 1308 OD1 ASP A 87 11.966 1.871 -51.071 1.00 61.45 O ATOM 1309 OD2 ASP A 87 13.921 2.765 -50.615 1.00 51.34 O1- ATOM 0 H ASP A 87 11.331 6.050 -48.886 1.00 50.21 H new ATOM 0 HA ASP A 87 13.784 4.754 -49.259 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.336 3.888 -49.391 1.00 35.13 H new ATOM 0 HB3 ASP A 87 11.352 4.457 -51.048 1.00 35.13 H new ATOM 1314 N GLN A 88 13.096 6.980 -51.491 1.00 32.35 N ATOM 1315 CA GLN A 88 13.593 7.671 -52.675 1.00 71.22 C ATOM 1316 C GLN A 88 14.942 8.324 -52.398 1.00 44.01 C ATOM 1317 O GLN A 88 15.720 8.579 -53.317 1.00 30.30 O ATOM 1318 CB GLN A 88 12.586 8.727 -53.134 1.00 71.55 C ATOM 1319 CG GLN A 88 11.612 8.221 -54.186 1.00 72.24 C ATOM 1320 CD GLN A 88 11.016 9.341 -55.016 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.695 10.314 -55.345 1.00 14.12 O ATOM 1322 NE2 GLN A 88 9.740 9.209 -55.360 1.00 31.43 N ATOM 0 H GLN A 88 12.349 7.470 -50.999 1.00 32.35 H new ATOM 0 HA GLN A 88 13.723 6.934 -53.468 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.023 9.081 -52.270 1.00 71.55 H new ATOM 0 HB3 GLN A 88 13.128 9.584 -53.534 1.00 71.55 H new ATOM 0 HG2 GLN A 88 12.126 7.520 -54.844 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.809 7.669 -53.697 1.00 72.24 H new ATOM 0 HE21 GLN A 88 9.215 8.386 -55.065 1.00 31.43 H new ATOM 0 HE22 GLN A 88 9.285 9.931 -55.919 1.00 31.43 H new ATOM 1331 N ALA A 89 15.214 8.593 -51.125 1.00 43.05 N ATOM 1332 CA ALA A 89 16.471 9.215 -50.728 1.00 33.15 C ATOM 1333 C ALA A 89 17.610 8.203 -50.731 1.00 24.14 C ATOM 1334 O ALA A 89 17.380 6.993 -50.756 1.00 71.13 O ATOM 1335 CB ALA A 89 16.332 9.852 -49.352 1.00 12.20 C ATOM 0 H ALA A 89 14.581 8.390 -50.352 1.00 43.05 H new ATOM 0 HA ALA A 89 16.709 9.992 -51.455 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.278 10.313 -49.067 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.552 10.612 -49.380 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.067 9.087 -48.622 1.00 12.20 H new ATOM 1341 N PHE A 90 18.841 8.703 -50.707 1.00 74.20 N ATOM 1342 CA PHE A 90 20.018 7.842 -50.710 1.00 75.52 C ATOM 1343 C PHE A 90 20.214 7.185 -49.346 1.00 71.45 C ATOM 1344 O PHE A 90 20.399 7.865 -48.339 1.00 12.24 O ATOM 1345 CB PHE A 90 21.264 8.646 -51.085 1.00 64.23 C ATOM 1346 CG PHE A 90 21.381 8.917 -52.558 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.524 10.213 -53.028 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.348 7.877 -53.472 1.00 65.35 C ATOM 1349 CE1 PHE A 90 21.633 10.466 -54.381 1.00 45.43 C ATOM 1350 CE2 PHE A 90 21.457 8.124 -54.828 1.00 31.34 C ATOM 1351 CZ PHE A 90 21.598 9.420 -55.283 1.00 1.02 C ATOM 0 H PHE A 90 19.050 9.701 -50.685 1.00 74.20 H new ATOM 0 HA PHE A 90 19.863 7.059 -51.452 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.249 9.595 -50.549 1.00 64.23 H new ATOM 0 HB3 PHE A 90 22.150 8.105 -50.752 1.00 64.23 H new ATOM 0 HD1 PHE A 90 21.550 11.035 -52.328 1.00 30.42 H new ATOM 0 HD2 PHE A 90 21.236 6.862 -53.122 1.00 65.35 H new ATOM 0 HE1 PHE A 90 21.746 11.481 -54.734 1.00 45.43 H new ATOM 0 HE2 PHE A 90 21.432 7.304 -55.531 1.00 31.34 H new ATOM 0 HZ PHE A 90 21.681 9.616 -56.342 1.00 1.02 H new ATOM 1361 N GLY A 91 20.170 5.855 -49.325 1.00 12.51 N ATOM 1362 CA GLY A 91 20.343 5.128 -48.081 1.00 14.41 C ATOM 1363 C GLY A 91 19.423 5.627 -46.984 1.00 73.13 C ATOM 1364 O GLY A 91 19.843 5.796 -45.841 1.00 4.35 O ATOM 0 H GLY A 91 20.018 5.270 -50.146 1.00 12.51 H new ATOM 0 HA2 GLY A 91 20.155 4.068 -48.254 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.378 5.219 -47.752 1.00 14.41 H new ATOM 1368 N ALA A 92 18.162 5.865 -47.334 1.00 4.24 N ATOM 1369 CA ALA A 92 17.181 6.347 -46.371 1.00 70.22 C ATOM 1370 C ALA A 92 16.193 5.247 -45.997 1.00 24.25 C ATOM 1371 O ALA A 92 15.809 4.430 -46.836 1.00 13.15 O ATOM 1372 CB ALA A 92 16.442 7.554 -46.930 1.00 0.13 C ATOM 0 H ALA A 92 17.797 5.732 -48.277 1.00 4.24 H new ATOM 0 HA ALA A 92 17.712 6.646 -45.467 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.712 7.904 -46.200 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.155 8.351 -47.141 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.929 7.273 -47.850 1.00 0.13 H new ATOM 1378 N THR A 93 15.784 5.230 -44.731 1.00 45.11 N ATOM 1379 CA THR A 93 14.843 4.229 -44.245 1.00 43.04 C ATOM 1380 C THR A 93 13.743 4.870 -43.408 1.00 51.13 C ATOM 1381 O THR A 93 13.978 5.847 -42.700 1.00 12.44 O ATOM 1382 CB THR A 93 15.553 3.152 -43.403 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.949 3.123 -43.721 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.942 1.782 -43.651 1.00 75.11 C ATOM 0 H THR A 93 16.090 5.899 -44.024 1.00 45.11 H new ATOM 0 HA THR A 93 14.400 3.759 -45.123 1.00 43.04 H new ATOM 0 HB THR A 93 15.426 3.403 -42.350 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.442 2.692 -42.992 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.460 1.038 -43.046 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.886 1.800 -43.380 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.041 1.525 -44.706 1.00 75.11 H new ATOM 1392 N GLY A 94 12.538 4.313 -43.495 1.00 64.34 N ATOM 1393 CA GLY A 94 11.419 4.844 -42.739 1.00 73.52 C ATOM 1394 C GLY A 94 11.701 4.903 -41.251 1.00 11.42 C ATOM 1395 O GLY A 94 11.155 5.748 -40.541 1.00 75.13 O ATOM 0 H GLY A 94 12.317 3.504 -44.076 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.182 5.845 -43.101 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.539 4.225 -42.915 1.00 73.52 H new ATOM 1399 N THR A 95 12.555 4.002 -40.775 1.00 3.02 N ATOM 1400 CA THR A 95 12.905 3.954 -39.361 1.00 45.00 C ATOM 1401 C THR A 95 13.826 5.108 -38.983 1.00 1.41 C ATOM 1402 O THR A 95 14.182 5.274 -37.817 1.00 53.40 O ATOM 1403 CB THR A 95 13.594 2.624 -38.998 1.00 64.24 C ATOM 1404 OG1 THR A 95 14.944 2.626 -39.475 1.00 24.23 O ATOM 1405 CG2 THR A 95 12.841 1.445 -39.597 1.00 23.25 C ATOM 0 H THR A 95 13.017 3.296 -41.348 1.00 3.02 H new ATOM 0 HA THR A 95 11.973 4.038 -38.802 1.00 45.00 H new ATOM 0 HB THR A 95 13.593 2.523 -37.913 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.376 1.778 -39.239 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.345 0.517 -39.328 1.00 23.25 H new ATOM 0 HG22 THR A 95 11.822 1.430 -39.210 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.816 1.543 -40.682 1.00 23.25 H new ATOM 1413 N SER A 96 14.207 5.904 -39.977 1.00 4.44 N ATOM 1414 CA SER A 96 15.090 7.043 -39.748 1.00 60.11 C ATOM 1415 C SER A 96 14.292 8.272 -39.321 1.00 71.41 C ATOM 1416 O SER A 96 14.855 9.254 -38.840 1.00 10.54 O ATOM 1417 CB SER A 96 15.892 7.356 -41.014 1.00 33.34 C ATOM 1418 OG SER A 96 16.746 8.469 -40.814 1.00 54.01 O ATOM 0 H SER A 96 13.919 5.782 -40.948 1.00 4.44 H new ATOM 0 HA SER A 96 15.779 6.782 -38.945 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.484 6.486 -41.298 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.210 7.561 -41.839 1.00 33.34 H new ATOM 0 HG SER A 96 16.343 9.078 -40.160 1.00 54.01 H new ATOM 1424 N ARG A 97 12.977 8.206 -39.501 1.00 14.14 N ATOM 1425 CA ARG A 97 12.100 9.313 -39.135 1.00 44.44 C ATOM 1426 C ARG A 97 11.082 8.876 -38.086 1.00 41.24 C ATOM 1427 O ARG A 97 10.588 7.749 -38.117 1.00 64.24 O ATOM 1428 CB ARG A 97 11.377 9.848 -40.373 1.00 70.20 C ATOM 1429 CG ARG A 97 10.517 11.070 -40.095 1.00 33.41 C ATOM 1430 CD ARG A 97 9.043 10.704 -40.003 1.00 21.13 C ATOM 1431 NE ARG A 97 8.183 11.765 -40.520 1.00 44.32 N ATOM 1432 CZ ARG A 97 6.859 11.758 -40.406 1.00 45.23 C ATOM 1433 NH1 ARG A 97 6.248 10.752 -39.798 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 6.145 12.760 -40.904 1.00 33.05 N ATOM 0 H ARG A 97 12.495 7.399 -39.897 1.00 14.14 H new ATOM 0 HA ARG A 97 12.715 10.107 -38.710 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.115 10.099 -41.134 1.00 70.20 H new ATOM 0 HB3 ARG A 97 10.749 9.059 -40.786 1.00 70.20 H new ATOM 0 HG2 ARG A 97 10.836 11.537 -39.163 1.00 33.41 H new ATOM 0 HG3 ARG A 97 10.662 11.806 -40.886 1.00 33.41 H new ATOM 0 HD2 ARG A 97 8.862 9.786 -40.562 1.00 21.13 H new ATOM 0 HD3 ARG A 97 8.784 10.501 -38.964 1.00 21.13 H new ATOM 0 HE ARG A 97 8.622 12.554 -40.994 1.00 44.32 H new ATOM 0 HH11 ARG A 97 6.794 9.980 -39.416 1.00 54.10 H new ATOM 0 HH12 ARG A 97 5.232 10.750 -39.712 1.00 54.10 H new ATOM 0 HH21 ARG A 97 6.613 13.535 -41.374 1.00 33.05 H new ATOM 0 HH22 ARG A 97 5.129 12.755 -40.817 1.00 33.05 H new ATOM 1448 N LEU A 98 10.773 9.776 -37.160 1.00 2.12 N ATOM 1449 CA LEU A 98 9.814 9.485 -36.100 1.00 73.45 C ATOM 1450 C LEU A 98 9.461 10.748 -35.322 1.00 21.34 C ATOM 1451 O LEU A 98 10.316 11.597 -35.078 1.00 13.34 O ATOM 1452 CB LEU A 98 10.378 8.428 -35.150 1.00 23.22 C ATOM 1453 CG LEU A 98 11.641 8.821 -34.383 1.00 64.21 C ATOM 1454 CD1 LEU A 98 11.642 8.194 -32.997 1.00 54.22 C ATOM 1455 CD2 LEU A 98 12.885 8.410 -35.156 1.00 44.21 C ATOM 0 H LEU A 98 11.172 10.714 -37.121 1.00 2.12 H new ATOM 0 HA LEU A 98 8.905 9.100 -36.563 1.00 73.45 H new ATOM 0 HB2 LEU A 98 9.604 8.168 -34.428 1.00 23.22 H new ATOM 0 HB3 LEU A 98 10.592 7.528 -35.726 1.00 23.22 H new ATOM 0 HG LEU A 98 11.650 9.905 -34.269 1.00 64.21 H new ATOM 0 HD11 LEU A 98 12.549 8.485 -32.467 1.00 54.22 H new ATOM 0 HD12 LEU A 98 10.770 8.538 -32.441 1.00 54.22 H new ATOM 0 HD13 LEU A 98 11.608 7.108 -33.089 1.00 54.22 H new ATOM 0 HD21 LEU A 98 13.774 8.698 -34.595 1.00 44.21 H new ATOM 0 HD22 LEU A 98 12.882 7.330 -35.302 1.00 44.21 H new ATOM 0 HD23 LEU A 98 12.892 8.907 -36.126 1.00 44.21 H new ATOM 1467 N GLY A 99 8.195 10.864 -34.932 1.00 65.55 N ATOM 1468 CA GLY A 99 7.752 12.025 -34.184 1.00 71.01 C ATOM 1469 C GLY A 99 8.607 12.286 -32.959 1.00 52.33 C ATOM 1470 O GLY A 99 9.277 11.384 -32.457 1.00 62.04 O ATOM 0 H GLY A 99 7.468 10.174 -35.121 1.00 65.55 H new ATOM 0 HA2 GLY A 99 7.774 12.901 -34.832 1.00 71.01 H new ATOM 0 HA3 GLY A 99 6.716 11.882 -33.877 1.00 71.01 H new ATOM 1474 N CYS A 100 8.584 13.524 -32.477 1.00 23.20 N ATOM 1475 CA CYS A 100 9.364 13.903 -31.305 1.00 42.23 C ATOM 1476 C CYS A 100 9.032 13.005 -30.117 1.00 61.43 C ATOM 1477 O CYS A 100 9.859 12.804 -29.230 1.00 22.54 O ATOM 1478 CB CYS A 100 9.101 15.365 -30.943 1.00 12.14 C ATOM 1479 SG CYS A 100 10.437 16.146 -29.981 1.00 33.11 S ATOM 0 H CYS A 100 8.033 14.282 -32.880 1.00 23.20 H new ATOM 0 HA CYS A 100 10.420 13.780 -31.547 1.00 42.23 H new ATOM 0 HB2 CYS A 100 8.949 15.933 -31.860 1.00 12.14 H new ATOM 0 HB3 CYS A 100 8.174 15.426 -30.373 1.00 12.14 H new ATOM 1484 N GLN A 101 7.816 12.468 -30.110 1.00 51.23 N ATOM 1485 CA GLN A 101 7.375 11.593 -29.031 1.00 32.50 C ATOM 1486 C GLN A 101 8.333 10.420 -28.856 1.00 24.44 C ATOM 1487 O GLN A 101 8.459 9.569 -29.737 1.00 62.34 O ATOM 1488 CB GLN A 101 5.963 11.074 -29.312 1.00 54.33 C ATOM 1489 CG GLN A 101 5.827 10.376 -30.655 1.00 51.15 C ATOM 1490 CD GLN A 101 4.392 10.321 -31.141 1.00 64.22 C ATOM 1491 OE1 GLN A 101 3.700 11.338 -31.185 1.00 14.41 O ATOM 1492 NE2 GLN A 101 3.937 9.130 -31.511 1.00 64.44 N ATOM 0 H GLN A 101 7.120 12.624 -30.839 1.00 51.23 H new ATOM 0 HA GLN A 101 7.366 12.173 -28.108 1.00 32.50 H new ATOM 0 HB2 GLN A 101 5.676 10.381 -28.521 1.00 54.33 H new ATOM 0 HB3 GLN A 101 5.264 11.909 -29.274 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.437 10.896 -31.394 1.00 51.15 H new ATOM 0 HG3 GLN A 101 6.219 9.362 -30.575 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.545 8.313 -31.458 1.00 64.44 H new ATOM 0 HE22 GLN A 101 2.979 9.032 -31.848 1.00 64.44 H new ATOM 1501 N LEU A 102 9.009 10.381 -27.712 1.00 65.25 N ATOM 1502 CA LEU A 102 9.958 9.312 -27.420 1.00 63.32 C ATOM 1503 C LEU A 102 9.886 8.905 -25.952 1.00 43.03 C ATOM 1504 O LEU A 102 10.522 9.519 -25.095 1.00 43.45 O ATOM 1505 CB LEU A 102 11.380 9.755 -27.769 1.00 54.24 C ATOM 1506 CG LEU A 102 11.868 9.400 -29.174 1.00 12.13 C ATOM 1507 CD1 LEU A 102 13.237 10.010 -29.432 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.910 7.890 -29.358 1.00 5.14 C ATOM 0 H LEU A 102 8.917 11.077 -26.972 1.00 65.25 H new ATOM 0 HA LEU A 102 9.693 8.449 -28.031 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.442 10.836 -27.647 1.00 54.24 H new ATOM 0 HB3 LEU A 102 12.065 9.312 -27.046 1.00 54.24 H new ATOM 0 HG LEU A 102 11.166 9.814 -29.898 1.00 12.13 H new ATOM 0 HD11 LEU A 102 13.569 9.747 -30.436 1.00 65.13 H new ATOM 0 HD12 LEU A 102 13.175 11.095 -29.342 1.00 65.13 H new ATOM 0 HD13 LEU A 102 13.950 9.626 -28.702 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.259 7.656 -30.363 1.00 5.14 H new ATOM 0 HD22 LEU A 102 12.590 7.453 -28.626 1.00 5.14 H new ATOM 0 HD23 LEU A 102 10.911 7.478 -29.216 1.00 5.14 H new ATOM 1520 N ARG A 103 9.109 7.865 -25.669 1.00 52.25 N ATOM 1521 CA ARG A 103 8.954 7.375 -24.305 1.00 12.23 C ATOM 1522 C ARG A 103 9.590 5.998 -24.145 1.00 22.20 C ATOM 1523 O ARG A 103 9.606 5.198 -25.081 1.00 3.34 O ATOM 1524 CB ARG A 103 7.473 7.311 -23.928 1.00 33.05 C ATOM 1525 CG ARG A 103 7.183 7.783 -22.512 1.00 62.04 C ATOM 1526 CD ARG A 103 6.428 9.103 -22.508 1.00 70.21 C ATOM 1527 NE ARG A 103 7.135 10.140 -23.255 1.00 53.42 N ATOM 1528 CZ ARG A 103 6.582 11.293 -23.615 1.00 21.50 C ATOM 1529 NH1 ARG A 103 5.322 11.555 -23.297 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 7.289 12.186 -24.292 1.00 43.51 N ATOM 0 H ARG A 103 8.577 7.345 -26.367 1.00 52.25 H new ATOM 0 HA ARG A 103 9.462 8.070 -23.637 1.00 12.23 H new ATOM 0 HB2 ARG A 103 6.902 7.920 -24.629 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.123 6.285 -24.039 1.00 33.05 H new ATOM 0 HG2 ARG A 103 6.599 7.027 -21.988 1.00 62.04 H new ATOM 0 HG3 ARG A 103 8.120 7.897 -21.966 1.00 62.04 H new ATOM 0 HD2 ARG A 103 5.438 8.956 -22.940 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.281 9.433 -21.480 1.00 70.21 H new ATOM 0 HE ARG A 103 8.107 9.970 -23.514 1.00 53.42 H new ATOM 0 HH11 ARG A 103 4.775 10.871 -22.775 1.00 52.01 H new ATOM 0 HH12 ARG A 103 4.900 12.441 -23.575 1.00 52.01 H new ATOM 0 HH21 ARG A 103 8.259 11.989 -24.537 1.00 43.51 H new ATOM 0 HH22 ARG A 103 6.863 13.071 -24.568 1.00 43.51 H new ATOM 1544 N VAL A 104 10.116 5.728 -22.955 1.00 21.01 N ATOM 1545 CA VAL A 104 10.753 4.448 -22.673 1.00 23.15 C ATOM 1546 C VAL A 104 9.781 3.486 -21.997 1.00 51.50 C ATOM 1547 O VAL A 104 9.148 3.828 -20.999 1.00 20.41 O ATOM 1548 CB VAL A 104 11.991 4.623 -21.773 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.624 3.274 -21.466 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.998 5.557 -22.429 1.00 72.24 C ATOM 0 H VAL A 104 10.113 6.379 -22.170 1.00 21.01 H new ATOM 0 HA VAL A 104 11.064 4.033 -23.632 1.00 23.15 H new ATOM 0 HB VAL A 104 11.674 5.071 -20.831 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.497 3.418 -20.829 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.900 2.641 -20.952 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.929 2.795 -22.396 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.866 5.670 -21.780 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.312 5.140 -23.386 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.538 6.532 -22.592 1.00 72.24 H new ATOM 1560 N ASP A 105 9.669 2.284 -22.549 1.00 71.13 N ATOM 1561 CA ASP A 105 8.775 1.271 -22.000 1.00 40.04 C ATOM 1562 C ASP A 105 9.454 -0.095 -21.969 1.00 72.04 C ATOM 1563 O ASP A 105 10.511 -0.289 -22.571 1.00 10.30 O ATOM 1564 CB ASP A 105 7.487 1.196 -22.823 1.00 44.20 C ATOM 1565 CG ASP A 105 6.912 2.566 -23.124 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.720 2.880 -24.318 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.654 3.324 -22.167 1.00 33.31 O1- ATOM 0 H ASP A 105 10.186 1.987 -23.376 1.00 71.13 H new ATOM 0 HA ASP A 105 8.528 1.557 -20.978 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.687 0.676 -23.759 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.747 0.606 -22.282 1.00 44.20 H new ATOM 1572 N LYS A 106 8.840 -1.039 -21.265 1.00 24.41 N ATOM 1573 CA LYS A 106 9.384 -2.387 -21.155 1.00 72.51 C ATOM 1574 C LYS A 106 9.609 -2.997 -22.534 1.00 64.01 C ATOM 1575 O LYS A 106 10.630 -3.641 -22.780 1.00 34.22 O ATOM 1576 CB LYS A 106 8.440 -3.276 -20.342 1.00 13.33 C ATOM 1577 CG LYS A 106 7.034 -3.349 -20.910 1.00 33.41 C ATOM 1578 CD LYS A 106 6.000 -3.565 -19.817 1.00 30.24 C ATOM 1579 CE LYS A 106 6.082 -4.972 -19.242 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.762 -5.440 -18.736 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.965 -0.895 -20.762 1.00 24.41 H new ATOM 0 HA LYS A 106 10.344 -2.323 -20.643 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.855 -4.283 -20.292 1.00 13.33 H new ATOM 0 HB3 LYS A 106 8.391 -2.900 -19.320 1.00 13.33 H new ATOM 0 HG2 LYS A 106 6.810 -2.427 -21.447 1.00 33.41 H new ATOM 0 HG3 LYS A 106 6.975 -4.162 -21.634 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.153 -2.836 -19.021 1.00 30.24 H new ATOM 0 HD3 LYS A 106 5.002 -3.393 -20.220 1.00 30.24 H new ATOM 0 HE2 LYS A 106 6.441 -5.658 -20.009 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.810 -4.991 -18.431 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.858 -6.402 -18.352 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.431 -4.800 -17.986 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 4.074 -5.446 -19.516 1.00 24.12 H new ATOM 1594 N SER A 107 8.652 -2.789 -23.433 1.00 1.32 N ATOM 1595 CA SER A 107 8.746 -3.320 -24.788 1.00 32.25 C ATOM 1596 C SER A 107 9.968 -2.760 -25.507 1.00 64.51 C ATOM 1597 O SER A 107 10.429 -3.320 -26.503 1.00 35.32 O ATOM 1598 CB SER A 107 7.478 -2.987 -25.577 1.00 25.21 C ATOM 1599 OG SER A 107 6.358 -2.871 -24.717 1.00 60.12 O ATOM 0 H SER A 107 7.802 -2.256 -23.247 1.00 1.32 H new ATOM 0 HA SER A 107 8.850 -4.403 -24.722 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.620 -2.054 -26.122 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.292 -3.764 -26.318 1.00 25.21 H new ATOM 0 HG SER A 107 5.561 -2.656 -25.245 1.00 60.12 H new ATOM 1605 N PHE A 108 10.492 -1.651 -24.996 1.00 54.12 N ATOM 1606 CA PHE A 108 11.661 -1.012 -25.590 1.00 31.34 C ATOM 1607 C PHE A 108 12.944 -1.500 -24.922 1.00 52.43 C ATOM 1608 O PHE A 108 13.996 -0.873 -25.046 1.00 20.31 O ATOM 1609 CB PHE A 108 11.555 0.509 -25.468 1.00 33.33 C ATOM 1610 CG PHE A 108 10.804 1.150 -26.599 1.00 11.41 C ATOM 1611 CD1 PHE A 108 11.279 2.307 -27.196 1.00 41.10 C ATOM 1612 CD2 PHE A 108 9.622 0.597 -27.066 1.00 23.10 C ATOM 1613 CE1 PHE A 108 10.590 2.900 -28.238 1.00 64.01 C ATOM 1614 CE2 PHE A 108 8.930 1.184 -28.108 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.414 2.338 -28.693 1.00 71.21 C ATOM 0 H PHE A 108 10.126 -1.176 -24.171 1.00 54.12 H new ATOM 0 HA PHE A 108 11.696 -1.282 -26.645 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.061 0.757 -24.528 1.00 33.33 H new ATOM 0 HB3 PHE A 108 12.558 0.933 -25.422 1.00 33.33 H new ATOM 0 HD1 PHE A 108 12.198 2.751 -26.843 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.237 -0.303 -26.610 1.00 23.10 H new ATOM 0 HE1 PHE A 108 10.971 3.801 -28.695 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.012 0.741 -28.465 1.00 0.32 H new ATOM 0 HZ PHE A 108 8.873 2.800 -29.505 1.00 71.21 H new ATOM 1625 N GLU A 109 12.846 -2.621 -24.214 1.00 45.42 N ATOM 1626 CA GLU A 109 13.999 -3.191 -23.527 1.00 14.13 C ATOM 1627 C GLU A 109 15.132 -3.477 -24.507 1.00 53.04 C ATOM 1628 O GLU A 109 14.936 -4.150 -25.519 1.00 0.14 O ATOM 1629 CB GLU A 109 13.602 -4.479 -22.801 1.00 15.44 C ATOM 1630 CG GLU A 109 14.712 -5.061 -21.943 1.00 21.13 C ATOM 1631 CD GLU A 109 14.333 -6.391 -21.321 1.00 40.23 C ATOM 1632 OE1 GLU A 109 13.830 -6.389 -20.178 1.00 23.25 O ATOM 1633 OE2 GLU A 109 14.538 -7.433 -21.977 1.00 62.22 O1- ATOM 0 H GLU A 109 11.982 -3.151 -24.101 1.00 45.42 H new ATOM 0 HA GLU A 109 14.350 -2.462 -22.796 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.735 -4.279 -22.172 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.296 -5.222 -23.538 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.607 -5.191 -22.552 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.964 -4.354 -21.153 1.00 21.13 H new ATOM 1640 N ASN A 110 16.317 -2.960 -24.200 1.00 40.22 N ATOM 1641 CA ASN A 110 17.482 -3.159 -25.055 1.00 12.52 C ATOM 1642 C ASN A 110 17.225 -2.619 -26.459 1.00 14.11 C ATOM 1643 O ASN A 110 17.850 -3.054 -27.426 1.00 14.41 O ATOM 1644 CB ASN A 110 17.843 -4.644 -25.125 1.00 53.45 C ATOM 1645 CG ASN A 110 18.510 -5.138 -23.857 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.091 -6.135 -23.269 1.00 53.03 O ATOM 1647 ND2 ASN A 110 19.555 -4.439 -23.428 1.00 13.04 N ATOM 0 H ASN A 110 16.496 -2.400 -23.366 1.00 40.22 H new ATOM 0 HA ASN A 110 18.318 -2.610 -24.621 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.940 -5.226 -25.307 1.00 53.45 H new ATOM 0 HB3 ASN A 110 18.508 -4.814 -25.972 1.00 53.45 H new ATOM 0 HD21 ASN A 110 20.045 -4.723 -22.579 1.00 13.04 H new ATOM 0 HD22 ASN A 110 19.868 -3.619 -23.947 1.00 13.04 H new ATOM 1654 N ALA A 111 16.301 -1.669 -26.562 1.00 11.53 N ATOM 1655 CA ALA A 111 15.964 -1.067 -27.847 1.00 33.33 C ATOM 1656 C ALA A 111 17.188 -0.426 -28.492 1.00 12.12 C ATOM 1657 O ALA A 111 17.863 0.401 -27.879 1.00 32.25 O ATOM 1658 CB ALA A 111 14.856 -0.039 -27.672 1.00 12.32 C ATOM 0 H ALA A 111 15.773 -1.300 -25.772 1.00 11.53 H new ATOM 0 HA ALA A 111 15.611 -1.857 -28.510 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.614 0.403 -28.638 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.970 -0.525 -27.263 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.189 0.742 -26.989 1.00 12.32 H new ATOM 1664 N VAL A 112 17.468 -0.814 -29.732 1.00 73.01 N ATOM 1665 CA VAL A 112 18.611 -0.276 -30.460 1.00 70.21 C ATOM 1666 C VAL A 112 18.256 1.039 -31.146 1.00 23.10 C ATOM 1667 O VAL A 112 17.375 1.086 -32.004 1.00 15.11 O ATOM 1668 CB VAL A 112 19.121 -1.272 -31.519 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.467 -0.825 -32.069 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.216 -2.672 -30.929 1.00 42.04 C ATOM 0 H VAL A 112 16.920 -1.498 -30.253 1.00 73.01 H new ATOM 0 HA VAL A 112 19.399 -0.100 -29.727 1.00 70.21 H new ATOM 0 HB VAL A 112 18.409 -1.296 -32.344 1.00 32.45 H new ATOM 0 HG11 VAL A 112 20.811 -1.541 -32.815 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.364 0.158 -32.529 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.192 -0.771 -31.257 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.578 -3.364 -31.690 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.907 -2.666 -30.086 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.231 -2.991 -30.588 1.00 42.04 H new ATOM 1680 N PHE A 113 18.950 2.105 -30.763 1.00 22.12 N ATOM 1681 CA PHE A 113 18.709 3.423 -31.340 1.00 61.43 C ATOM 1682 C PHE A 113 19.908 3.884 -32.162 1.00 43.11 C ATOM 1683 O PHE A 113 20.923 4.317 -31.614 1.00 11.30 O ATOM 1684 CB PHE A 113 18.412 4.439 -30.237 1.00 14.33 C ATOM 1685 CG PHE A 113 17.198 4.100 -29.419 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.278 3.180 -28.385 1.00 12.52 C ATOM 1687 CD2 PHE A 113 15.977 4.698 -29.686 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.162 2.866 -27.631 1.00 3.02 C ATOM 1689 CE2 PHE A 113 14.859 4.389 -28.934 1.00 40.02 C ATOM 1690 CZ PHE A 113 14.952 3.470 -27.907 1.00 54.32 C ATOM 0 H PHE A 113 19.684 2.083 -30.055 1.00 22.12 H new ATOM 0 HA PHE A 113 17.845 3.351 -32.000 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.277 4.510 -29.577 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.274 5.422 -30.687 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.222 2.703 -28.166 1.00 12.52 H new ATOM 0 HD2 PHE A 113 15.898 5.414 -30.491 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.237 2.149 -26.827 1.00 3.02 H new ATOM 0 HE2 PHE A 113 13.914 4.866 -29.149 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.079 3.224 -27.321 1.00 54.32 H new ATOM 1700 N THR A 114 19.786 3.787 -33.483 1.00 30.22 N ATOM 1701 CA THR A 114 20.858 4.192 -34.381 1.00 45.33 C ATOM 1702 C THR A 114 20.748 5.670 -34.740 1.00 52.03 C ATOM 1703 O THR A 114 19.683 6.144 -35.137 1.00 43.22 O ATOM 1704 CB THR A 114 20.851 3.359 -35.677 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.225 2.007 -35.393 1.00 32.32 O ATOM 1706 CG2 THR A 114 21.805 3.949 -36.706 1.00 73.44 C ATOM 0 H THR A 114 18.954 3.431 -33.954 1.00 30.22 H new ATOM 0 HA THR A 114 21.795 4.019 -33.851 1.00 45.33 H new ATOM 0 HB THR A 114 19.842 3.377 -36.088 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.216 1.484 -36.222 1.00 32.32 H new ATOM 0 HG21 THR A 114 21.783 3.344 -37.612 1.00 73.44 H new ATOM 0 HG22 THR A 114 21.500 4.968 -36.943 1.00 73.44 H new ATOM 0 HG23 THR A 114 22.817 3.958 -36.301 1.00 73.44 H new ATOM 1714 N VAL A 115 21.853 6.394 -34.600 1.00 21.22 N ATOM 1715 CA VAL A 115 21.880 7.818 -34.910 1.00 72.13 C ATOM 1716 C VAL A 115 22.513 8.070 -36.274 1.00 32.00 C ATOM 1717 O VAL A 115 23.569 7.531 -36.606 1.00 71.13 O ATOM 1718 CB VAL A 115 22.656 8.611 -33.842 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.647 10.097 -34.169 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.069 8.357 -32.462 1.00 0.35 C ATOM 0 H VAL A 115 22.743 6.017 -34.273 1.00 21.22 H new ATOM 0 HA VAL A 115 20.845 8.159 -34.923 1.00 72.13 H new ATOM 0 HB VAL A 115 23.691 8.270 -33.841 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.200 10.641 -33.404 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.116 10.259 -35.140 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.619 10.457 -34.199 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.629 8.925 -31.718 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.025 8.670 -32.447 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.132 7.294 -32.230 1.00 0.35 H new ATOM 1730 N PRO A 116 21.854 8.912 -37.086 1.00 23.44 N ATOM 1731 CA PRO A 116 22.335 9.256 -38.427 1.00 12.20 C ATOM 1732 C PRO A 116 23.591 10.121 -38.388 1.00 62.14 C ATOM 1733 O PRO A 116 24.242 10.240 -37.351 1.00 15.32 O ATOM 1734 CB PRO A 116 21.166 10.038 -39.032 1.00 2.12 C ATOM 1735 CG PRO A 116 20.439 10.600 -37.860 1.00 24.01 C ATOM 1736 CD PRO A 116 20.590 9.592 -36.755 1.00 65.44 C ATOM 0 HA PRO A 116 22.616 8.372 -38.999 1.00 12.20 H new ATOM 0 HB2 PRO A 116 21.519 10.828 -39.695 1.00 2.12 H new ATOM 0 HB3 PRO A 116 20.520 9.390 -39.625 1.00 2.12 H new ATOM 0 HG2 PRO A 116 20.856 11.564 -37.568 1.00 24.01 H new ATOM 0 HG3 PRO A 116 19.388 10.766 -38.096 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.635 10.071 -35.777 1.00 65.44 H new ATOM 0 HD3 PRO A 116 19.753 8.895 -36.730 1.00 65.44 H new ATOM 1744 N ARG A 117 23.924 10.722 -39.526 1.00 4.04 N ATOM 1745 CA ARG A 117 25.103 11.575 -39.622 1.00 23.33 C ATOM 1746 C ARG A 117 24.898 12.875 -38.851 1.00 72.14 C ATOM 1747 O ARG A 117 24.196 13.775 -39.310 1.00 53.20 O ATOM 1748 CB ARG A 117 25.419 11.882 -41.086 1.00 24.40 C ATOM 1749 CG ARG A 117 25.668 10.641 -41.929 1.00 3.30 C ATOM 1750 CD ARG A 117 25.007 10.753 -43.294 1.00 34.14 C ATOM 1751 NE ARG A 117 24.504 9.466 -43.765 1.00 31.52 N ATOM 1752 CZ ARG A 117 23.606 9.338 -44.736 1.00 33.23 C ATOM 1753 NH1 ARG A 117 23.116 10.414 -45.336 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 23.198 8.132 -45.109 1.00 55.12 N ATOM 0 H ARG A 117 23.395 10.634 -40.393 1.00 4.04 H new ATOM 0 HA ARG A 117 25.944 11.040 -39.181 1.00 23.33 H new ATOM 0 HB2 ARG A 117 24.591 12.444 -41.518 1.00 24.40 H new ATOM 0 HB3 ARG A 117 26.298 12.525 -41.132 1.00 24.40 H new ATOM 0 HG2 ARG A 117 26.741 10.494 -42.054 1.00 3.30 H new ATOM 0 HG3 ARG A 117 25.284 9.763 -41.409 1.00 3.30 H new ATOM 0 HD2 ARG A 117 24.185 11.466 -43.241 1.00 34.14 H new ATOM 0 HD3 ARG A 117 25.725 11.147 -44.013 1.00 34.14 H new ATOM 0 HE ARG A 117 24.862 8.618 -43.324 1.00 31.52 H new ATOM 0 HH11 ARG A 117 23.428 11.343 -45.053 1.00 32.32 H new ATOM 0 HH12 ARG A 117 22.427 10.313 -46.081 1.00 32.32 H new ATOM 0 HH21 ARG A 117 23.574 7.302 -44.650 1.00 55.12 H new ATOM 0 HH22 ARG A 117 22.509 8.035 -45.854 1.00 55.12 H new ATOM 1768 N ALA A 118 25.514 12.965 -37.677 1.00 53.11 N ATOM 1769 CA ALA A 118 25.399 14.155 -36.844 1.00 11.14 C ATOM 1770 C ALA A 118 26.689 14.968 -36.866 1.00 12.31 C ATOM 1771 O ALA A 118 27.630 14.638 -37.588 1.00 3.41 O ATOM 1772 CB ALA A 118 25.042 13.768 -35.416 1.00 11.25 C ATOM 0 H ALA A 118 26.098 12.228 -37.282 1.00 53.11 H new ATOM 0 HA ALA A 118 24.601 14.776 -37.251 1.00 11.14 H new ATOM 0 HB1 ALA A 118 24.959 14.667 -34.805 1.00 11.25 H new ATOM 0 HB2 ALA A 118 24.090 13.237 -35.410 1.00 11.25 H new ATOM 0 HB3 ALA A 118 25.820 13.123 -35.009 1.00 11.25 H new ATOM 1778 N THR A 119 26.727 16.033 -36.071 1.00 73.41 N ATOM 1779 CA THR A 119 27.901 16.893 -36.002 1.00 14.20 C ATOM 1780 C THR A 119 28.365 17.304 -37.394 1.00 51.53 C ATOM 1781 O THR A 119 29.563 17.350 -37.672 1.00 25.52 O ATOM 1782 CB THR A 119 29.064 16.199 -35.269 1.00 33.41 C ATOM 1783 OG1 THR A 119 29.676 15.230 -36.129 1.00 12.32 O ATOM 1784 CG2 THR A 119 28.575 15.520 -33.999 1.00 33.30 C ATOM 0 H THR A 119 25.958 16.320 -35.466 1.00 73.41 H new ATOM 0 HA THR A 119 27.608 17.782 -35.443 1.00 14.20 H new ATOM 0 HB THR A 119 29.798 16.958 -34.997 1.00 33.41 H new ATOM 0 HG1 THR A 119 29.084 15.046 -36.888 1.00 12.32 H new ATOM 0 HG21 THR A 119 29.414 15.037 -33.499 1.00 33.30 H new ATOM 0 HG22 THR A 119 28.136 16.264 -33.335 1.00 33.30 H new ATOM 0 HG23 THR A 119 27.824 14.772 -34.252 1.00 33.30 H new ATOM 1792 N LYS A 120 27.409 17.602 -38.267 1.00 3.41 N ATOM 1793 CA LYS A 120 27.719 18.012 -39.632 1.00 11.13 C ATOM 1794 C LYS A 120 26.698 19.024 -40.142 1.00 51.15 C ATOM 1795 O LYS A 120 25.805 19.443 -39.407 1.00 3.10 O ATOM 1796 CB LYS A 120 27.752 16.793 -40.557 1.00 73.35 C ATOM 1797 CG LYS A 120 28.921 15.861 -40.295 1.00 23.14 C ATOM 1798 CD LYS A 120 30.231 16.461 -40.777 1.00 22.41 C ATOM 1799 CE LYS A 120 30.418 16.260 -42.273 1.00 40.11 C ATOM 1800 NZ LYS A 120 31.856 16.135 -42.640 1.00 41.15 N1+ ATOM 0 H LYS A 120 26.412 17.567 -38.054 1.00 3.41 H new ATOM 0 HA LYS A 120 28.701 18.485 -39.629 1.00 11.13 H new ATOM 0 HB2 LYS A 120 26.822 16.236 -40.443 1.00 73.35 H new ATOM 0 HB3 LYS A 120 27.795 17.134 -41.591 1.00 73.35 H new ATOM 0 HG2 LYS A 120 28.987 15.650 -39.228 1.00 23.14 H new ATOM 0 HG3 LYS A 120 28.749 14.909 -40.798 1.00 23.14 H new ATOM 0 HD2 LYS A 120 30.251 17.526 -40.546 1.00 22.41 H new ATOM 0 HD3 LYS A 120 31.062 16.003 -40.240 1.00 22.41 H new ATOM 0 HE2 LYS A 120 29.883 15.364 -42.589 1.00 40.11 H new ATOM 0 HE3 LYS A 120 29.978 17.100 -42.810 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 31.942 15.999 -43.668 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 32.362 17.000 -42.362 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 32.270 15.318 -42.147 1.00 41.15 H new ATOM 1814 N ASN A 121 26.835 19.411 -41.406 1.00 64.12 N ATOM 1815 CA ASN A 121 25.923 20.373 -42.014 1.00 63.15 C ATOM 1816 C ASN A 121 24.493 19.840 -42.016 1.00 0.51 C ATOM 1817 O ASN A 121 24.200 18.819 -41.396 1.00 31.55 O ATOM 1818 CB ASN A 121 26.364 20.689 -43.445 1.00 73.33 C ATOM 1819 CG ASN A 121 27.866 20.854 -43.565 1.00 44.14 C ATOM 1820 OD1 ASN A 121 28.388 21.966 -43.480 1.00 64.24 O ATOM 1821 ND2 ASN A 121 28.569 19.745 -43.764 1.00 40.14 N ATOM 0 H ASN A 121 27.569 19.073 -42.029 1.00 64.12 H new ATOM 0 HA ASN A 121 25.950 21.288 -41.422 1.00 63.15 H new ATOM 0 HB2 ASN A 121 26.035 19.889 -44.108 1.00 73.33 H new ATOM 0 HB3 ASN A 121 25.873 21.603 -43.780 1.00 73.33 H new ATOM 0 HD21 ASN A 121 29.584 19.794 -43.853 1.00 40.14 H new ATOM 0 HD22 ASN A 121 28.094 18.845 -43.828 1.00 40.14 H new ATOM 1828 N MET A 122 23.609 20.542 -42.718 1.00 74.51 N ATOM 1829 CA MET A 122 22.209 20.138 -42.801 1.00 43.31 C ATOM 1830 C MET A 122 22.079 18.746 -43.412 1.00 13.55 C ATOM 1831 O MET A 122 23.079 18.077 -43.670 1.00 15.21 O ATOM 1832 CB MET A 122 21.414 21.149 -43.631 1.00 33.13 C ATOM 1833 CG MET A 122 21.968 21.355 -45.031 1.00 63.32 C ATOM 1834 SD MET A 122 21.701 23.029 -45.645 1.00 33.21 S ATOM 1835 CE MET A 122 19.912 23.117 -45.622 1.00 62.33 C ATOM 0 H MET A 122 23.836 21.391 -43.236 1.00 74.51 H new ATOM 0 HA MET A 122 21.804 20.110 -41.789 1.00 43.31 H new ATOM 0 HB2 MET A 122 20.380 20.813 -43.704 1.00 33.13 H new ATOM 0 HB3 MET A 122 21.402 22.106 -43.109 1.00 33.13 H new ATOM 0 HG2 MET A 122 23.036 21.139 -45.030 1.00 63.32 H new ATOM 0 HG3 MET A 122 21.499 20.644 -45.711 1.00 63.32 H new ATOM 0 HE1 MET A 122 19.587 24.037 -46.107 1.00 62.33 H new ATOM 0 HE2 MET A 122 19.499 22.261 -46.155 1.00 62.33 H new ATOM 0 HE3 MET A 122 19.560 23.107 -44.590 1.00 62.33 H new ATOM 1845 N ALA A 123 20.842 18.319 -43.640 1.00 62.43 N ATOM 1846 CA ALA A 123 20.583 17.008 -44.222 1.00 20.11 C ATOM 1847 C ALA A 123 21.386 16.807 -45.503 1.00 52.22 C ATOM 1848 O ALA A 123 21.148 17.477 -46.508 1.00 2.23 O ATOM 1849 CB ALA A 123 19.096 16.836 -44.496 1.00 51.33 C ATOM 0 H ALA A 123 20.004 18.861 -43.431 1.00 62.43 H new ATOM 0 HA ALA A 123 20.899 16.251 -43.504 1.00 20.11 H new ATOM 0 HB1 ALA A 123 18.917 15.852 -44.931 1.00 51.33 H new ATOM 0 HB2 ALA A 123 18.541 16.926 -43.562 1.00 51.33 H new ATOM 0 HB3 ALA A 123 18.763 17.606 -45.192 1.00 51.33 H new ATOM 1855 N VAL A 124 22.338 15.880 -45.461 1.00 12.32 N ATOM 1856 CA VAL A 124 23.176 15.591 -46.618 1.00 34.21 C ATOM 1857 C VAL A 124 23.369 14.089 -46.795 1.00 0.24 C ATOM 1858 O VAL A 124 23.383 13.336 -45.821 1.00 1.13 O ATOM 1859 CB VAL A 124 24.555 16.265 -46.494 1.00 43.14 C ATOM 1860 CG1 VAL A 124 24.430 17.772 -46.656 1.00 44.35 C ATOM 1861 CG2 VAL A 124 25.201 15.916 -45.162 1.00 31.53 C ATOM 0 H VAL A 124 22.548 15.316 -44.637 1.00 12.32 H new ATOM 0 HA VAL A 124 22.661 15.993 -47.491 1.00 34.21 H new ATOM 0 HB VAL A 124 25.196 15.890 -47.292 1.00 43.14 H new ATOM 0 HG11 VAL A 124 25.415 18.231 -46.565 1.00 44.35 H new ATOM 0 HG12 VAL A 124 24.013 17.999 -47.637 1.00 44.35 H new ATOM 0 HG13 VAL A 124 23.773 18.168 -45.882 1.00 44.35 H new ATOM 0 HG21 VAL A 124 26.175 16.401 -45.092 1.00 31.53 H new ATOM 0 HG22 VAL A 124 24.564 16.261 -44.347 1.00 31.53 H new ATOM 0 HG23 VAL A 124 25.328 14.836 -45.091 1.00 31.53 H new ATOM 1871 N ASP A 125 23.520 13.661 -48.043 1.00 50.35 N ATOM 1872 CA ASP A 125 23.714 12.249 -48.348 1.00 62.21 C ATOM 1873 C ASP A 125 24.907 11.686 -47.581 1.00 45.30 C ATOM 1874 O ASP A 125 25.661 12.430 -46.955 1.00 64.33 O ATOM 1875 CB ASP A 125 23.922 12.053 -49.851 1.00 71.03 C ATOM 1876 CG ASP A 125 25.286 12.525 -50.313 1.00 62.23 C ATOM 1877 OD1 ASP A 125 26.057 11.690 -50.834 1.00 41.11 O ATOM 1878 OD2 ASP A 125 25.583 13.727 -50.156 1.00 63.51 O1- ATOM 0 H ASP A 125 23.512 14.272 -48.860 1.00 50.35 H new ATOM 0 HA ASP A 125 22.818 11.710 -48.039 1.00 62.21 H new ATOM 0 HB2 ASP A 125 23.804 10.998 -50.097 1.00 71.03 H new ATOM 0 HB3 ASP A 125 23.149 12.596 -50.396 1.00 71.03 H new ATOM 1883 N GLY A 126 25.070 10.368 -47.634 1.00 32.22 N ATOM 1884 CA GLY A 126 26.171 9.728 -46.938 1.00 22.23 C ATOM 1885 C GLY A 126 26.401 8.304 -47.403 1.00 23.11 C ATOM 1886 O GLY A 126 26.797 8.072 -48.545 1.00 73.43 O ATOM 0 H GLY A 126 24.459 9.732 -48.146 1.00 32.22 H new ATOM 0 HA2 GLY A 126 27.081 10.309 -47.092 1.00 22.23 H new ATOM 0 HA3 GLY A 126 25.969 9.729 -45.867 1.00 22.23 H new ATOM 1890 N PHE A 127 26.154 7.346 -46.514 1.00 42.33 N ATOM 1891 CA PHE A 127 26.339 5.936 -46.839 1.00 23.03 C ATOM 1892 C PHE A 127 25.617 5.047 -45.831 1.00 1.32 C ATOM 1893 O PHE A 127 26.088 4.852 -44.709 1.00 74.31 O ATOM 1894 CB PHE A 127 27.830 5.589 -46.868 1.00 35.24 C ATOM 1895 CG PHE A 127 28.170 4.485 -47.827 1.00 61.51 C ATOM 1896 CD1 PHE A 127 28.293 4.741 -49.183 1.00 3.43 C ATOM 1897 CD2 PHE A 127 28.365 3.190 -47.372 1.00 41.13 C ATOM 1898 CE1 PHE A 127 28.606 3.727 -50.069 1.00 12.22 C ATOM 1899 CE2 PHE A 127 28.679 2.172 -48.254 1.00 13.40 C ATOM 1900 CZ PHE A 127 28.798 2.441 -49.603 1.00 1.02 C ATOM 0 H PHE A 127 25.826 7.521 -45.564 1.00 42.33 H new ATOM 0 HA PHE A 127 25.912 5.756 -47.826 1.00 23.03 H new ATOM 0 HB2 PHE A 127 28.397 6.480 -47.137 1.00 35.24 H new ATOM 0 HB3 PHE A 127 28.147 5.300 -45.866 1.00 35.24 H new ATOM 0 HD1 PHE A 127 28.143 5.745 -49.552 1.00 3.43 H new ATOM 0 HD2 PHE A 127 28.271 2.974 -46.318 1.00 41.13 H new ATOM 0 HE1 PHE A 127 28.700 3.940 -51.124 1.00 12.22 H new ATOM 0 HE2 PHE A 127 28.831 1.167 -47.888 1.00 13.40 H new ATOM 0 HZ PHE A 127 29.041 1.647 -50.293 1.00 1.02 H new ATOM 1910 N LYS A 128 24.472 4.511 -46.237 1.00 65.05 N ATOM 1911 CA LYS A 128 23.684 3.641 -45.373 1.00 0.22 C ATOM 1912 C LYS A 128 22.489 3.062 -46.126 1.00 2.55 C ATOM 1913 O LYS A 128 21.343 3.459 -45.917 1.00 2.22 O ATOM 1914 CB LYS A 128 23.200 4.414 -44.144 1.00 35.34 C ATOM 1915 CG LYS A 128 22.357 3.579 -43.194 1.00 41.42 C ATOM 1916 CD LYS A 128 22.469 4.080 -41.764 1.00 55.02 C ATOM 1917 CE LYS A 128 21.991 3.034 -40.768 1.00 44.30 C ATOM 1918 NZ LYS A 128 20.534 2.765 -40.903 1.00 71.43 N1+ ATOM 0 H LYS A 128 24.068 4.664 -47.161 1.00 65.05 H new ATOM 0 HA LYS A 128 24.321 2.817 -45.050 1.00 0.22 H new ATOM 0 HB2 LYS A 128 24.065 4.801 -43.605 1.00 35.34 H new ATOM 0 HB3 LYS A 128 22.618 5.275 -44.473 1.00 35.34 H new ATOM 0 HG2 LYS A 128 21.314 3.608 -43.510 1.00 41.42 H new ATOM 0 HG3 LYS A 128 22.676 2.538 -43.242 1.00 41.42 H new ATOM 0 HD2 LYS A 128 23.505 4.342 -41.549 1.00 55.02 H new ATOM 0 HD3 LYS A 128 21.880 4.990 -41.649 1.00 55.02 H new ATOM 0 HE2 LYS A 128 22.547 2.108 -40.919 1.00 44.30 H new ATOM 0 HE3 LYS A 128 22.205 3.373 -39.754 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 20.248 2.047 -40.207 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 20.002 3.642 -40.734 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 20.333 2.417 -41.862 1.00 71.43 H new ATOM 1932 N PRO A 129 22.763 2.102 -47.021 1.00 72.11 N ATOM 1933 CA PRO A 129 21.723 1.448 -47.821 1.00 73.12 C ATOM 1934 C PRO A 129 20.827 0.545 -46.980 1.00 21.15 C ATOM 1935 O PRO A 129 21.307 -0.346 -46.279 1.00 62.32 O ATOM 1936 CB PRO A 129 22.521 0.618 -48.829 1.00 45.02 C ATOM 1937 CG PRO A 129 23.829 0.365 -48.162 1.00 53.15 C ATOM 1938 CD PRO A 129 24.107 1.581 -47.322 1.00 34.35 C ATOM 0 HA PRO A 129 21.048 2.170 -48.281 1.00 73.12 H new ATOM 0 HB2 PRO A 129 22.010 -0.315 -49.065 1.00 45.02 H new ATOM 0 HB3 PRO A 129 22.653 1.156 -49.768 1.00 45.02 H new ATOM 0 HG2 PRO A 129 23.786 -0.533 -47.546 1.00 53.15 H new ATOM 0 HG3 PRO A 129 24.619 0.210 -48.897 1.00 53.15 H new ATOM 0 HD2 PRO A 129 24.652 1.326 -46.413 1.00 34.35 H new ATOM 0 HD3 PRO A 129 24.710 2.312 -47.860 1.00 34.35 H new ATOM 1946 N LYS A 130 19.522 0.781 -47.054 1.00 15.20 N ATOM 1947 CA LYS A 130 18.556 -0.012 -46.301 1.00 11.44 C ATOM 1948 C LYS A 130 17.134 0.260 -46.783 1.00 3.25 C ATOM 1949 O LYS A 130 16.340 0.917 -46.109 1.00 43.11 O ATOM 1950 CB LYS A 130 18.667 0.298 -44.806 1.00 1.11 C ATOM 1951 CG LYS A 130 18.172 -0.828 -43.914 1.00 1.34 C ATOM 1952 CD LYS A 130 18.706 -0.692 -42.497 1.00 53.24 C ATOM 1953 CE LYS A 130 20.176 -1.074 -42.417 1.00 72.42 C ATOM 1954 NZ LYS A 130 20.409 -2.476 -42.860 1.00 22.44 N1+ ATOM 0 H LYS A 130 19.108 1.515 -47.628 1.00 15.20 H new ATOM 0 HA LYS A 130 18.781 -1.066 -46.466 1.00 11.44 H new ATOM 0 HB2 LYS A 130 19.708 0.511 -44.564 1.00 1.11 H new ATOM 0 HB3 LYS A 130 18.097 1.201 -44.587 1.00 1.11 H new ATOM 0 HG2 LYS A 130 17.082 -0.826 -43.895 1.00 1.34 H new ATOM 0 HG3 LYS A 130 18.482 -1.786 -44.330 1.00 1.34 H new ATOM 0 HD2 LYS A 130 18.577 0.335 -42.155 1.00 53.24 H new ATOM 0 HD3 LYS A 130 18.127 -1.327 -41.826 1.00 53.24 H new ATOM 0 HE2 LYS A 130 20.762 -0.395 -43.037 1.00 72.42 H new ATOM 0 HE3 LYS A 130 20.527 -0.954 -41.392 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 21.295 -2.828 -42.445 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 19.618 -3.075 -42.548 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 20.477 -2.506 -43.897 1.00 22.44 H new ATOM 1968 N PRO A 131 16.804 -0.257 -47.975 1.00 61.00 N ATOM 1969 CA PRO A 131 15.477 -0.084 -48.573 1.00 32.35 C ATOM 1970 C PRO A 131 14.400 -0.864 -47.827 1.00 31.34 C ATOM 1971 O PRO A 131 13.213 -0.545 -47.916 1.00 23.11 O ATOM 1972 CB PRO A 131 15.651 -0.636 -49.990 1.00 15.11 C ATOM 1973 CG PRO A 131 16.780 -1.603 -49.884 1.00 73.03 C ATOM 1974 CD PRO A 131 17.701 -1.050 -48.832 1.00 44.23 C ATOM 0 HA PRO A 131 15.149 0.955 -48.543 1.00 32.35 H new ATOM 0 HB2 PRO A 131 14.742 -1.126 -50.338 1.00 15.11 H new ATOM 0 HB3 PRO A 131 15.877 0.160 -50.700 1.00 15.11 H new ATOM 0 HG2 PRO A 131 16.420 -2.594 -49.606 1.00 73.03 H new ATOM 0 HG3 PRO A 131 17.296 -1.707 -50.839 1.00 73.03 H new ATOM 0 HD2 PRO A 131 18.194 -1.845 -48.271 1.00 44.23 H new ATOM 0 HD3 PRO A 131 18.487 -0.434 -49.269 1.00 44.23 H new ATOM 1982 N HIS A 132 14.820 -1.888 -47.090 1.00 72.12 N ATOM 1983 CA HIS A 132 13.890 -2.714 -46.327 1.00 11.44 C ATOM 1984 C HIS A 132 14.207 -2.652 -44.835 1.00 44.33 C ATOM 1985 O HIS A 132 15.331 -2.967 -44.445 1.00 51.01 O ATOM 1986 CB HIS A 132 13.944 -4.162 -46.812 1.00 21.33 C ATOM 1987 CG HIS A 132 12.942 -4.474 -47.880 1.00 14.41 C ATOM 1988 ND1 HIS A 132 13.240 -4.435 -49.226 1.00 32.41 N ATOM 1989 CD2 HIS A 132 11.640 -4.832 -47.795 1.00 31.54 C ATOM 1990 CE1 HIS A 132 12.164 -4.755 -49.922 1.00 53.00 C ATOM 1991 NE2 HIS A 132 11.178 -5.001 -49.078 1.00 24.25 N ATOM 0 H HIS A 132 15.798 -2.166 -47.005 1.00 72.12 H new ATOM 0 HA HIS A 132 12.884 -2.324 -46.484 1.00 11.44 H new ATOM 0 HB2 HIS A 132 14.944 -4.372 -47.191 1.00 21.33 H new ATOM 0 HB3 HIS A 132 13.778 -4.827 -45.964 1.00 21.33 H new ATOM 0 HD2 HIS A 132 11.070 -4.961 -46.887 1.00 31.54 H new ATOM 0 HE1 HIS A 132 12.101 -4.807 -50.999 1.00 53.00 H new ATOM 0 HE2 HIS A 132 10.229 -5.272 -49.336 1.00 24.25 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 12.344 19.734 -31.702 1.00 71.43 FE HETATM 2001 FE2 FES A 200 11.655 17.101 -31.578 1.00 2.34 FE HETATM 2002 S1 FES A 200 10.826 18.769 -30.446 1.00 50.50 S HETATM 2003 S2 FES A 200 13.249 18.032 -32.724 1.00 65.42 S