USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 MET CE :methyl -137:sc= -0.139 (180deg=-0.114) USER MOD Set 1.2: A 48 MET CE :methyl 163:sc=-0.000873 (180deg=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.121 (180deg=-0.626) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.12 X(o=-0.12,f=0.28) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.23) USER MOD Single : A 34 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 35 ASN : amide:sc=-0.00171 X(o=-0.0017,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 59 GLN : amide:sc= -0.0931 K(o=-0.093,f=-1.6!) USER MOD Single : A 61 ASN : amide:sc= -1.81 K(o=-1.8,f=-6!) USER MOD Single : A 62 TYR OH : rot -140:sc= -1.61 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 54:sc= 1.06 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.393 -11.935 1.791 1.00 12.14 N ATOM 2 CA MET A 1 2.695 -10.546 2.118 1.00 73.04 C ATOM 3 C MET A 1 3.429 -10.448 3.451 1.00 32.02 C ATOM 4 O MET A 1 3.326 -9.443 4.154 1.00 5.43 O ATOM 5 CB MET A 1 1.408 -9.720 2.169 1.00 72.43 C ATOM 6 CG MET A 1 0.379 -10.259 3.149 1.00 12.14 C ATOM 7 SD MET A 1 -1.146 -9.297 3.154 1.00 11.24 S ATOM 8 CE MET A 1 -1.294 -8.905 4.896 1.00 62.21 C ATOM 0 H1 MET A 1 1.699 -11.966 1.017 1.00 12.14 H new ATOM 0 H2 MET A 1 3.264 -12.419 1.494 1.00 12.14 H new ATOM 0 H3 MET A 1 2.001 -12.411 2.628 1.00 12.14 H new ATOM 0 HA MET A 1 3.343 -10.148 1.337 1.00 73.04 H new ATOM 0 HB2 MET A 1 1.655 -8.694 2.442 1.00 72.43 H new ATOM 0 HB3 MET A 1 0.967 -9.688 1.173 1.00 72.43 H new ATOM 0 HG2 MET A 1 0.150 -11.294 2.897 1.00 12.14 H new ATOM 0 HG3 MET A 1 0.805 -10.262 4.152 1.00 12.14 H new ATOM 0 HE1 MET A 1 -2.193 -8.310 5.060 1.00 62.21 H new ATOM 0 HE2 MET A 1 -1.359 -9.828 5.472 1.00 62.21 H new ATOM 0 HE3 MET A 1 -0.420 -8.338 5.217 1.00 62.21 H new ATOM 18 N ASP A 2 4.168 -11.498 3.793 1.00 51.41 N ATOM 19 CA ASP A 2 4.920 -11.529 5.042 1.00 33.11 C ATOM 20 C ASP A 2 6.310 -10.931 4.855 1.00 44.34 C ATOM 21 O ASP A 2 7.319 -11.568 5.159 1.00 62.34 O ATOM 22 CB ASP A 2 5.034 -12.965 5.557 1.00 11.44 C ATOM 23 CG ASP A 2 5.586 -13.031 6.968 1.00 72.31 C ATOM 24 OD1 ASP A 2 5.213 -12.170 7.792 1.00 73.53 O ATOM 25 OD2 ASP A 2 6.391 -13.944 7.248 1.00 45.14 O ATOM 0 H ASP A 2 4.262 -12.339 3.223 1.00 51.41 H new ATOM 0 HA ASP A 2 4.382 -10.929 5.776 1.00 33.11 H new ATOM 0 HB2 ASP A 2 4.051 -13.436 5.532 1.00 11.44 H new ATOM 0 HB3 ASP A 2 5.679 -13.537 4.890 1.00 11.44 H new ATOM 30 N THR A 3 6.357 -9.701 4.351 1.00 62.33 N ATOM 31 CA THR A 3 7.623 -9.017 4.120 1.00 24.42 C ATOM 32 C THR A 3 8.479 -9.771 3.109 1.00 63.22 C ATOM 33 O THR A 3 9.707 -9.684 3.133 1.00 41.01 O ATOM 34 CB THR A 3 8.420 -8.854 5.429 1.00 53.34 C ATOM 35 OG1 THR A 3 7.554 -9.036 6.555 1.00 64.42 O ATOM 36 CG2 THR A 3 9.068 -7.479 5.499 1.00 64.52 C ATOM 0 H THR A 3 5.532 -9.158 4.095 1.00 62.33 H new ATOM 0 HA THR A 3 7.382 -8.031 3.724 1.00 24.42 H new ATOM 0 HB THR A 3 9.205 -9.610 5.448 1.00 53.34 H new ATOM 0 HG1 THR A 3 8.068 -8.933 7.383 1.00 64.42 H new ATOM 0 HG21 THR A 3 9.625 -7.386 6.431 1.00 64.52 H new ATOM 0 HG22 THR A 3 9.748 -7.354 4.656 1.00 64.52 H new ATOM 0 HG23 THR A 3 8.296 -6.711 5.460 1.00 64.52 H new ATOM 44 N ASP A 4 7.824 -10.510 2.221 1.00 71.44 N ATOM 45 CA ASP A 4 8.525 -11.279 1.199 1.00 44.43 C ATOM 46 C ASP A 4 8.028 -10.910 -0.196 1.00 1.35 C ATOM 47 O ASP A 4 7.200 -11.612 -0.776 1.00 2.31 O ATOM 48 CB ASP A 4 8.340 -12.777 1.440 1.00 71.42 C ATOM 49 CG ASP A 4 9.026 -13.249 2.707 1.00 71.32 C ATOM 50 OD1 ASP A 4 10.206 -12.896 2.909 1.00 44.05 O ATOM 51 OD2 ASP A 4 8.383 -13.973 3.496 1.00 13.31 O ATOM 0 H ASP A 4 6.808 -10.593 2.188 1.00 71.44 H new ATOM 0 HA ASP A 4 9.586 -11.038 1.263 1.00 44.43 H new ATOM 0 HB2 ASP A 4 7.276 -13.003 1.501 1.00 71.42 H new ATOM 0 HB3 ASP A 4 8.736 -13.331 0.588 1.00 71.42 H new ATOM 56 N SER A 5 8.538 -9.803 -0.727 1.00 20.04 N ATOM 57 CA SER A 5 8.142 -9.338 -2.051 1.00 0.13 C ATOM 58 C SER A 5 9.090 -9.872 -3.120 1.00 71.22 C ATOM 59 O SER A 5 8.667 -10.547 -4.058 1.00 34.11 O ATOM 60 CB SER A 5 8.119 -7.809 -2.091 1.00 51.35 C ATOM 61 OG SER A 5 6.790 -7.320 -2.142 1.00 13.14 O ATOM 0 H SER A 5 9.226 -9.212 -0.261 1.00 20.04 H new ATOM 0 HA SER A 5 7.140 -9.715 -2.258 1.00 0.13 H new ATOM 0 HB2 SER A 5 8.622 -7.411 -1.210 1.00 51.35 H new ATOM 0 HB3 SER A 5 8.673 -7.456 -2.961 1.00 51.35 H new ATOM 0 HG SER A 5 6.803 -6.340 -2.165 1.00 13.14 H new ATOM 67 N GLU A 6 10.374 -9.564 -2.971 1.00 25.32 N ATOM 68 CA GLU A 6 11.383 -10.013 -3.924 1.00 54.52 C ATOM 69 C GLU A 6 12.097 -11.261 -3.414 1.00 2.41 C ATOM 70 O GLU A 6 12.551 -12.093 -4.199 1.00 13.42 O ATOM 71 CB GLU A 6 12.400 -8.900 -4.185 1.00 40.14 C ATOM 72 CG GLU A 6 11.766 -7.541 -4.430 1.00 3.35 C ATOM 73 CD GLU A 6 10.935 -7.504 -5.697 1.00 42.33 C ATOM 74 OE1 GLU A 6 9.842 -8.108 -5.707 1.00 50.31 O ATOM 75 OE2 GLU A 6 11.377 -6.872 -6.679 1.00 45.32 O ATOM 0 H GLU A 6 10.741 -9.006 -2.200 1.00 25.32 H new ATOM 0 HA GLU A 6 10.879 -10.261 -4.858 1.00 54.52 H new ATOM 0 HB2 GLU A 6 13.074 -8.828 -3.332 1.00 40.14 H new ATOM 0 HB3 GLU A 6 13.007 -9.169 -5.049 1.00 40.14 H new ATOM 0 HG2 GLU A 6 11.136 -7.280 -3.579 1.00 3.35 H new ATOM 0 HG3 GLU A 6 12.549 -6.785 -4.491 1.00 3.35 H new ATOM 82 N GLU A 7 12.193 -11.382 -2.094 1.00 23.25 N ATOM 83 CA GLU A 7 12.854 -12.528 -1.479 1.00 11.54 C ATOM 84 C GLU A 7 12.188 -13.833 -1.905 1.00 2.13 C ATOM 85 O GLU A 7 12.834 -14.879 -1.967 1.00 14.42 O ATOM 86 CB GLU A 7 12.826 -12.402 0.046 1.00 25.21 C ATOM 87 CG GLU A 7 13.920 -13.195 0.742 1.00 71.42 C ATOM 88 CD GLU A 7 15.021 -12.311 1.295 1.00 55.14 C ATOM 89 OE1 GLU A 7 15.371 -11.314 0.628 1.00 32.32 O ATOM 90 OE2 GLU A 7 15.532 -12.615 2.393 1.00 55.24 O ATOM 0 H GLU A 7 11.822 -10.702 -1.430 1.00 23.25 H new ATOM 0 HA GLU A 7 13.890 -12.542 -1.817 1.00 11.54 H new ATOM 0 HB2 GLU A 7 12.922 -11.351 0.317 1.00 25.21 H new ATOM 0 HB3 GLU A 7 11.856 -12.738 0.412 1.00 25.21 H new ATOM 0 HG2 GLU A 7 13.482 -13.775 1.555 1.00 71.42 H new ATOM 0 HG3 GLU A 7 14.350 -13.908 0.038 1.00 71.42 H new ATOM 97 N GLU A 8 10.893 -13.762 -2.196 1.00 61.24 N ATOM 98 CA GLU A 8 10.140 -14.938 -2.615 1.00 72.50 C ATOM 99 C GLU A 8 10.454 -15.299 -4.064 1.00 44.41 C ATOM 100 O GLU A 8 9.991 -16.318 -4.576 1.00 21.42 O ATOM 101 CB GLU A 8 8.638 -14.694 -2.453 1.00 40.13 C ATOM 102 CG GLU A 8 8.004 -15.514 -1.342 1.00 41.31 C ATOM 103 CD GLU A 8 6.499 -15.344 -1.278 1.00 14.32 C ATOM 104 OE1 GLU A 8 5.962 -14.520 -2.049 1.00 32.45 O ATOM 105 OE2 GLU A 8 5.858 -16.033 -0.457 1.00 54.14 O ATOM 0 H GLU A 8 10.344 -12.904 -2.149 1.00 61.24 H new ATOM 0 HA GLU A 8 10.436 -15.772 -1.979 1.00 72.50 H new ATOM 0 HB2 GLU A 8 8.470 -13.636 -2.253 1.00 40.13 H new ATOM 0 HB3 GLU A 8 8.138 -14.924 -3.394 1.00 40.13 H new ATOM 0 HG2 GLU A 8 8.241 -16.567 -1.492 1.00 41.31 H new ATOM 0 HG3 GLU A 8 8.440 -15.223 -0.386 1.00 41.31 H new ATOM 112 N ILE A 9 11.244 -14.454 -4.719 1.00 70.43 N ATOM 113 CA ILE A 9 11.621 -14.684 -6.109 1.00 11.44 C ATOM 114 C ILE A 9 12.860 -15.567 -6.203 1.00 71.54 C ATOM 115 O ILE A 9 12.927 -16.472 -7.035 1.00 61.35 O ATOM 116 CB ILE A 9 11.892 -13.358 -6.844 1.00 63.02 C ATOM 117 CG1 ILE A 9 10.662 -12.451 -6.777 1.00 10.13 C ATOM 118 CG2 ILE A 9 12.281 -13.625 -8.291 1.00 25.04 C ATOM 119 CD1 ILE A 9 9.461 -13.006 -7.509 1.00 34.51 C ATOM 0 H ILE A 9 11.635 -13.605 -4.310 1.00 70.43 H new ATOM 0 HA ILE A 9 10.781 -15.189 -6.585 1.00 11.44 H new ATOM 0 HB ILE A 9 12.722 -12.850 -6.352 1.00 63.02 H new ATOM 0 HG12 ILE A 9 10.397 -12.288 -5.732 1.00 10.13 H new ATOM 0 HG13 ILE A 9 10.915 -11.478 -7.197 1.00 10.13 H new ATOM 0 HG21 ILE A 9 12.469 -12.679 -8.798 1.00 25.04 H new ATOM 0 HG22 ILE A 9 13.183 -14.237 -8.318 1.00 25.04 H new ATOM 0 HG23 ILE A 9 11.470 -14.151 -8.795 1.00 25.04 H new ATOM 0 HD11 ILE A 9 8.627 -12.310 -7.419 1.00 34.51 H new ATOM 0 HD12 ILE A 9 9.708 -13.143 -8.562 1.00 34.51 H new ATOM 0 HD13 ILE A 9 9.182 -13.966 -7.074 1.00 34.51 H new ATOM 131 N ARG A 10 13.838 -15.300 -5.344 1.00 71.22 N ATOM 132 CA ARG A 10 15.075 -16.072 -5.330 1.00 52.34 C ATOM 133 C ARG A 10 14.802 -17.531 -4.976 1.00 53.43 C ATOM 134 O ARG A 10 15.474 -18.435 -5.470 1.00 42.02 O ATOM 135 CB ARG A 10 16.065 -15.470 -4.332 1.00 21.15 C ATOM 136 CG ARG A 10 17.266 -16.359 -4.054 1.00 63.21 C ATOM 137 CD ARG A 10 18.217 -15.716 -3.056 1.00 74.21 C ATOM 138 NE ARG A 10 18.609 -16.644 -1.998 1.00 51.53 N ATOM 139 CZ ARG A 10 17.799 -17.024 -1.016 1.00 40.53 C ATOM 140 NH1 ARG A 10 16.559 -16.558 -0.958 1.00 72.41 N ATOM 141 NH2 ARG A 10 18.229 -17.871 -0.090 1.00 42.13 N ATOM 0 H ARG A 10 13.798 -14.555 -4.649 1.00 71.22 H new ATOM 0 HA ARG A 10 15.509 -16.034 -6.329 1.00 52.34 H new ATOM 0 HB2 ARG A 10 16.414 -14.511 -4.714 1.00 21.15 H new ATOM 0 HB3 ARG A 10 15.547 -15.270 -3.394 1.00 21.15 H new ATOM 0 HG2 ARG A 10 16.927 -17.320 -3.668 1.00 63.21 H new ATOM 0 HG3 ARG A 10 17.795 -16.559 -4.986 1.00 63.21 H new ATOM 0 HD2 ARG A 10 19.107 -15.364 -3.578 1.00 74.21 H new ATOM 0 HD3 ARG A 10 17.741 -14.841 -2.613 1.00 74.21 H new ATOM 0 HE ARG A 10 19.557 -17.021 -2.014 1.00 51.53 H new ATOM 0 HH11 ARG A 10 16.225 -15.906 -1.668 1.00 72.41 H new ATOM 0 HH12 ARG A 10 15.939 -16.851 -0.203 1.00 72.41 H new ATOM 0 HH21 ARG A 10 19.182 -18.231 -0.132 1.00 42.13 H new ATOM 0 HH22 ARG A 10 17.606 -18.162 0.664 1.00 42.13 H new ATOM 155 N GLU A 11 13.811 -17.750 -4.117 1.00 60.45 N ATOM 156 CA GLU A 11 13.451 -19.099 -3.697 1.00 32.32 C ATOM 157 C GLU A 11 12.535 -19.762 -4.721 1.00 75.33 C ATOM 158 O GLU A 11 12.512 -20.986 -4.849 1.00 53.02 O ATOM 159 CB GLU A 11 12.765 -19.065 -2.330 1.00 13.14 C ATOM 160 CG GLU A 11 12.093 -20.375 -1.952 1.00 43.24 C ATOM 161 CD GLU A 11 12.271 -20.721 -0.487 1.00 1.43 C ATOM 162 OE1 GLU A 11 13.431 -20.819 -0.036 1.00 45.22 O ATOM 163 OE2 GLU A 11 11.249 -20.893 0.210 1.00 53.42 O ATOM 0 H GLU A 11 13.244 -17.012 -3.699 1.00 60.45 H new ATOM 0 HA GLU A 11 14.367 -19.685 -3.622 1.00 32.32 H new ATOM 0 HB2 GLU A 11 13.503 -18.812 -1.569 1.00 13.14 H new ATOM 0 HB3 GLU A 11 12.019 -18.270 -2.327 1.00 13.14 H new ATOM 0 HG2 GLU A 11 11.029 -20.312 -2.180 1.00 43.24 H new ATOM 0 HG3 GLU A 11 12.503 -21.179 -2.564 1.00 43.24 H new ATOM 170 N ALA A 12 11.780 -18.945 -5.448 1.00 42.44 N ATOM 171 CA ALA A 12 10.863 -19.450 -6.462 1.00 63.43 C ATOM 172 C ALA A 12 11.624 -20.049 -7.640 1.00 71.45 C ATOM 173 O ALA A 12 11.170 -21.011 -8.261 1.00 23.44 O ATOM 174 CB ALA A 12 9.938 -18.340 -6.938 1.00 62.13 C ATOM 0 H ALA A 12 11.786 -17.929 -5.353 1.00 42.44 H new ATOM 0 HA ALA A 12 10.262 -20.240 -6.012 1.00 63.43 H new ATOM 0 HB1 ALA A 12 9.259 -18.732 -7.695 1.00 62.13 H new ATOM 0 HB2 ALA A 12 9.361 -17.960 -6.095 1.00 62.13 H new ATOM 0 HB3 ALA A 12 10.530 -17.531 -7.366 1.00 62.13 H new ATOM 180 N PHE A 13 12.783 -19.474 -7.945 1.00 35.22 N ATOM 181 CA PHE A 13 13.605 -19.951 -9.050 1.00 45.44 C ATOM 182 C PHE A 13 14.479 -21.123 -8.613 1.00 14.03 C ATOM 183 O PHE A 13 14.975 -21.884 -9.443 1.00 24.54 O ATOM 184 CB PHE A 13 14.484 -18.818 -9.585 1.00 51.32 C ATOM 185 CG PHE A 13 13.926 -18.154 -10.811 1.00 74.05 C ATOM 186 CD1 PHE A 13 12.868 -17.264 -10.713 1.00 71.40 C ATOM 187 CD2 PHE A 13 14.459 -18.419 -12.063 1.00 33.45 C ATOM 188 CE1 PHE A 13 12.352 -16.653 -11.840 1.00 72.10 C ATOM 189 CE2 PHE A 13 13.947 -17.811 -13.193 1.00 40.31 C ATOM 190 CZ PHE A 13 12.893 -16.926 -13.081 1.00 52.54 C ATOM 0 H PHE A 13 13.174 -18.677 -7.442 1.00 35.22 H new ATOM 0 HA PHE A 13 12.940 -20.293 -9.843 1.00 45.44 H new ATOM 0 HB2 PHE A 13 14.614 -18.069 -8.803 1.00 51.32 H new ATOM 0 HB3 PHE A 13 15.473 -19.214 -9.814 1.00 51.32 H new ATOM 0 HD1 PHE A 13 12.442 -17.046 -9.745 1.00 71.40 H new ATOM 0 HD2 PHE A 13 15.285 -19.109 -12.156 1.00 33.45 H new ATOM 0 HE1 PHE A 13 11.526 -15.963 -11.750 1.00 72.10 H new ATOM 0 HE2 PHE A 13 14.371 -18.028 -14.163 1.00 40.31 H new ATOM 0 HZ PHE A 13 12.492 -16.448 -13.963 1.00 52.54 H new ATOM 200 N ARG A 14 14.661 -21.261 -7.303 1.00 41.45 N ATOM 201 CA ARG A 14 15.475 -22.338 -6.755 1.00 23.33 C ATOM 202 C ARG A 14 14.672 -23.632 -6.660 1.00 20.15 C ATOM 203 O ARG A 14 15.199 -24.721 -6.890 1.00 54.35 O ATOM 204 CB ARG A 14 16.006 -21.952 -5.373 1.00 22.21 C ATOM 205 CG ARG A 14 17.410 -21.371 -5.401 1.00 1.45 C ATOM 206 CD ARG A 14 18.420 -22.322 -4.778 1.00 72.32 C ATOM 207 NE ARG A 14 19.638 -21.632 -4.361 1.00 75.32 N ATOM 208 CZ ARG A 14 20.551 -21.176 -5.211 1.00 24.44 C ATOM 209 NH1 ARG A 14 20.386 -21.336 -6.516 1.00 70.23 N ATOM 210 NH2 ARG A 14 21.633 -20.559 -4.754 1.00 45.32 N ATOM 0 H ARG A 14 14.255 -20.640 -6.603 1.00 41.45 H new ATOM 0 HA ARG A 14 16.317 -22.502 -7.428 1.00 23.33 H new ATOM 0 HB2 ARG A 14 15.330 -21.225 -4.923 1.00 22.21 H new ATOM 0 HB3 ARG A 14 15.999 -22.833 -4.731 1.00 22.21 H new ATOM 0 HG2 ARG A 14 17.696 -21.158 -6.431 1.00 1.45 H new ATOM 0 HG3 ARG A 14 17.423 -20.422 -4.864 1.00 1.45 H new ATOM 0 HD2 ARG A 14 17.970 -22.815 -3.916 1.00 72.32 H new ATOM 0 HD3 ARG A 14 18.673 -23.102 -5.496 1.00 72.32 H new ATOM 0 HE ARG A 14 19.796 -21.493 -3.363 1.00 75.32 H new ATOM 0 HH11 ARG A 14 19.556 -21.811 -6.871 1.00 70.23 H new ATOM 0 HH12 ARG A 14 21.089 -20.984 -7.166 1.00 70.23 H new ATOM 0 HH21 ARG A 14 21.764 -20.435 -3.750 1.00 45.32 H new ATOM 0 HH22 ARG A 14 22.334 -20.209 -5.407 1.00 45.32 H new ATOM 224 N VAL A 15 13.394 -23.505 -6.317 1.00 72.33 N ATOM 225 CA VAL A 15 12.517 -24.664 -6.192 1.00 4.31 C ATOM 226 C VAL A 15 12.423 -25.427 -7.509 1.00 1.55 C ATOM 227 O VAL A 15 12.119 -26.619 -7.527 1.00 33.41 O ATOM 228 CB VAL A 15 11.101 -24.251 -5.748 1.00 5.11 C ATOM 229 CG1 VAL A 15 10.190 -25.466 -5.673 1.00 54.01 C ATOM 230 CG2 VAL A 15 11.152 -23.529 -4.410 1.00 24.12 C ATOM 0 H VAL A 15 12.943 -22.612 -6.121 1.00 72.33 H new ATOM 0 HA VAL A 15 12.954 -25.311 -5.431 1.00 4.31 H new ATOM 0 HB VAL A 15 10.692 -23.565 -6.490 1.00 5.11 H new ATOM 0 HG11 VAL A 15 9.194 -25.155 -5.358 1.00 54.01 H new ATOM 0 HG12 VAL A 15 10.130 -25.937 -6.654 1.00 54.01 H new ATOM 0 HG13 VAL A 15 10.592 -26.179 -4.953 1.00 54.01 H new ATOM 0 HG21 VAL A 15 10.143 -23.244 -4.111 1.00 24.12 H new ATOM 0 HG22 VAL A 15 11.581 -24.189 -3.656 1.00 24.12 H new ATOM 0 HG23 VAL A 15 11.769 -22.635 -4.502 1.00 24.12 H new ATOM 240 N PHE A 16 12.687 -24.731 -8.609 1.00 53.54 N ATOM 241 CA PHE A 16 12.631 -25.342 -9.932 1.00 43.01 C ATOM 242 C PHE A 16 13.991 -25.911 -10.326 1.00 22.35 C ATOM 243 O PHE A 16 14.085 -27.028 -10.836 1.00 53.43 O ATOM 244 CB PHE A 16 12.175 -24.317 -10.972 1.00 74.14 C ATOM 245 CG PHE A 16 10.694 -24.066 -10.956 1.00 52.24 C ATOM 246 CD1 PHE A 16 9.800 -25.095 -11.207 1.00 4.24 C ATOM 247 CD2 PHE A 16 10.195 -22.800 -10.692 1.00 24.32 C ATOM 248 CE1 PHE A 16 8.437 -24.867 -11.192 1.00 61.13 C ATOM 249 CE2 PHE A 16 8.833 -22.567 -10.676 1.00 3.33 C ATOM 250 CZ PHE A 16 7.953 -23.601 -10.928 1.00 1.05 C ATOM 0 H PHE A 16 12.942 -23.743 -8.611 1.00 53.54 H new ATOM 0 HA PHE A 16 11.910 -26.159 -9.897 1.00 43.01 H new ATOM 0 HB2 PHE A 16 12.697 -23.376 -10.797 1.00 74.14 H new ATOM 0 HB3 PHE A 16 12.466 -24.663 -11.964 1.00 74.14 H new ATOM 0 HD1 PHE A 16 10.173 -26.087 -11.417 1.00 4.24 H new ATOM 0 HD2 PHE A 16 10.878 -21.987 -10.497 1.00 24.32 H new ATOM 0 HE1 PHE A 16 7.751 -25.678 -11.387 1.00 61.13 H new ATOM 0 HE2 PHE A 16 8.457 -21.577 -10.466 1.00 3.33 H new ATOM 0 HZ PHE A 16 6.888 -23.420 -10.919 1.00 1.05 H new ATOM 260 N ASP A 17 15.042 -25.136 -10.084 1.00 45.24 N ATOM 261 CA ASP A 17 16.398 -25.562 -10.413 1.00 1.35 C ATOM 262 C ASP A 17 16.811 -26.760 -9.564 1.00 63.43 C ATOM 263 O ASP A 17 16.745 -26.718 -8.336 1.00 34.13 O ATOM 264 CB ASP A 17 17.382 -24.410 -10.203 1.00 42.34 C ATOM 265 CG ASP A 17 18.823 -24.879 -10.169 1.00 5.52 C ATOM 266 OD1 ASP A 17 19.433 -25.005 -11.252 1.00 11.02 O ATOM 267 OD2 ASP A 17 19.342 -25.118 -9.059 1.00 24.23 O ATOM 0 H ASP A 17 14.982 -24.210 -9.661 1.00 45.24 H new ATOM 0 HA ASP A 17 16.416 -25.858 -11.462 1.00 1.35 H new ATOM 0 HB2 ASP A 17 17.259 -23.680 -11.004 1.00 42.34 H new ATOM 0 HB3 ASP A 17 17.147 -23.901 -9.269 1.00 42.34 H new ATOM 272 N LYS A 18 17.238 -27.830 -10.228 1.00 53.42 N ATOM 273 CA LYS A 18 17.662 -29.041 -9.537 1.00 23.03 C ATOM 274 C LYS A 18 19.162 -29.013 -9.262 1.00 23.15 C ATOM 275 O LYS A 18 19.930 -28.413 -10.014 1.00 11.41 O ATOM 276 CB LYS A 18 17.308 -30.277 -10.366 1.00 62.25 C ATOM 277 CG LYS A 18 16.435 -31.277 -9.627 1.00 44.51 C ATOM 278 CD LYS A 18 15.492 -32.000 -10.573 1.00 60.12 C ATOM 279 CE LYS A 18 14.086 -31.424 -10.507 1.00 40.44 C ATOM 280 NZ LYS A 18 13.276 -32.059 -9.432 1.00 34.40 N ATOM 0 H LYS A 18 17.299 -27.882 -11.245 1.00 53.42 H new ATOM 0 HA LYS A 18 17.136 -29.088 -8.584 1.00 23.03 H new ATOM 0 HB2 LYS A 18 16.794 -29.960 -11.274 1.00 62.25 H new ATOM 0 HB3 LYS A 18 18.228 -30.771 -10.677 1.00 62.25 H new ATOM 0 HG2 LYS A 18 17.066 -32.004 -9.115 1.00 44.51 H new ATOM 0 HG3 LYS A 18 15.857 -30.760 -8.860 1.00 44.51 H new ATOM 0 HD2 LYS A 18 15.870 -31.925 -11.593 1.00 60.12 H new ATOM 0 HD3 LYS A 18 15.464 -33.060 -10.321 1.00 60.12 H new ATOM 0 HE2 LYS A 18 14.142 -30.349 -10.333 1.00 40.44 H new ATOM 0 HE3 LYS A 18 13.590 -31.566 -11.467 1.00 40.44 H new ATOM 0 HZ1 LYS A 18 12.325 -31.639 -9.420 1.00 34.40 H new ATOM 0 HZ2 LYS A 18 13.201 -33.081 -9.611 1.00 34.40 H new ATOM 0 HZ3 LYS A 18 13.735 -31.902 -8.512 1.00 34.40 H new ATOM 294 N ASP A 19 19.573 -29.667 -8.181 1.00 1.14 N ATOM 295 CA ASP A 19 20.982 -29.719 -7.808 1.00 30.12 C ATOM 296 C ASP A 19 21.525 -28.319 -7.540 1.00 23.02 C ATOM 297 O ASP A 19 20.768 -27.352 -7.464 1.00 62.23 O ATOM 298 CB ASP A 19 21.799 -30.394 -8.911 1.00 33.02 C ATOM 299 CG ASP A 19 22.623 -31.556 -8.392 1.00 73.13 C ATOM 300 OD1 ASP A 19 23.642 -31.305 -7.717 1.00 24.11 O ATOM 301 OD2 ASP A 19 22.248 -32.717 -8.663 1.00 4.33 O ATOM 0 H ASP A 19 18.950 -30.169 -7.548 1.00 1.14 H new ATOM 0 HA ASP A 19 21.069 -30.304 -6.893 1.00 30.12 H new ATOM 0 HB2 ASP A 19 21.126 -30.749 -9.692 1.00 33.02 H new ATOM 0 HB3 ASP A 19 22.461 -29.660 -9.370 1.00 33.02 H new ATOM 306 N GLY A 20 22.843 -28.219 -7.396 1.00 3.44 N ATOM 307 CA GLY A 20 23.465 -26.933 -7.136 1.00 64.41 C ATOM 308 C GLY A 20 23.939 -26.252 -8.405 1.00 1.04 C ATOM 309 O GLY A 20 24.943 -26.650 -8.993 1.00 24.21 O ATOM 0 H GLY A 20 23.491 -29.005 -7.455 1.00 3.44 H new ATOM 0 HA2 GLY A 20 22.753 -26.285 -6.624 1.00 64.41 H new ATOM 0 HA3 GLY A 20 24.312 -27.071 -6.463 1.00 64.41 H new ATOM 313 N ASN A 21 23.213 -25.222 -8.828 1.00 21.31 N ATOM 314 CA ASN A 21 23.564 -24.485 -10.037 1.00 31.44 C ATOM 315 C ASN A 21 22.895 -23.114 -10.051 1.00 74.43 C ATOM 316 O ASN A 21 23.559 -22.086 -9.926 1.00 73.41 O ATOM 317 CB ASN A 21 23.155 -25.278 -11.279 1.00 75.53 C ATOM 318 CG ASN A 21 24.349 -25.726 -12.099 1.00 23.21 C ATOM 319 OD1 ASN A 21 24.817 -25.005 -12.981 1.00 35.32 O ATOM 320 ND2 ASN A 21 24.850 -26.922 -11.811 1.00 34.13 N ATOM 0 H ASN A 21 22.379 -24.879 -8.352 1.00 21.31 H new ATOM 0 HA ASN A 21 24.645 -24.342 -10.046 1.00 31.44 H new ATOM 0 HB2 ASN A 21 22.578 -26.152 -10.975 1.00 75.53 H new ATOM 0 HB3 ASN A 21 22.501 -24.665 -11.899 1.00 75.53 H new ATOM 0 HD21 ASN A 21 25.654 -27.276 -12.329 1.00 34.13 H new ATOM 0 HD22 ASN A 21 24.431 -27.486 -11.072 1.00 34.13 H new ATOM 327 N GLY A 22 21.574 -23.108 -10.205 1.00 32.03 N ATOM 328 CA GLY A 22 20.836 -21.859 -10.232 1.00 42.54 C ATOM 329 C GLY A 22 20.566 -21.376 -11.644 1.00 30.03 C ATOM 330 O GLY A 22 20.766 -20.202 -11.955 1.00 3.32 O ATOM 0 H GLY A 22 21.002 -23.946 -10.311 1.00 32.03 H new ATOM 0 HA2 GLY A 22 19.889 -21.989 -9.708 1.00 42.54 H new ATOM 0 HA3 GLY A 22 21.397 -21.097 -9.692 1.00 42.54 H new ATOM 334 N TYR A 23 20.112 -22.284 -12.501 1.00 14.44 N ATOM 335 CA TYR A 23 19.818 -21.945 -13.888 1.00 35.20 C ATOM 336 C TYR A 23 18.623 -22.743 -14.402 1.00 10.10 C ATOM 337 O TYR A 23 18.634 -23.974 -14.392 1.00 22.22 O ATOM 338 CB TYR A 23 21.039 -22.210 -14.769 1.00 62.15 C ATOM 339 CG TYR A 23 22.281 -21.473 -14.321 1.00 20.44 C ATOM 340 CD1 TYR A 23 23.097 -21.992 -13.323 1.00 4.12 C ATOM 341 CD2 TYR A 23 22.637 -20.259 -14.893 1.00 44.21 C ATOM 342 CE1 TYR A 23 24.233 -21.322 -12.909 1.00 34.21 C ATOM 343 CE2 TYR A 23 23.771 -19.583 -14.487 1.00 5.15 C ATOM 344 CZ TYR A 23 24.566 -20.118 -13.494 1.00 74.40 C ATOM 345 OH TYR A 23 25.695 -19.447 -13.085 1.00 63.42 O ATOM 0 H TYR A 23 19.940 -23.260 -12.259 1.00 14.44 H new ATOM 0 HA TYR A 23 19.570 -20.885 -13.932 1.00 35.20 H new ATOM 0 HB2 TYR A 23 21.245 -23.280 -14.777 1.00 62.15 H new ATOM 0 HB3 TYR A 23 20.806 -21.922 -15.794 1.00 62.15 H new ATOM 0 HD1 TYR A 23 22.839 -22.935 -12.863 1.00 4.12 H new ATOM 0 HD2 TYR A 23 22.016 -19.836 -15.669 1.00 44.21 H new ATOM 0 HE1 TYR A 23 24.856 -21.739 -12.132 1.00 34.21 H new ATOM 0 HE2 TYR A 23 24.034 -18.641 -14.944 1.00 5.15 H new ATOM 0 HH TYR A 23 25.786 -18.617 -13.598 1.00 63.42 H new ATOM 355 N ILE A 24 17.594 -22.032 -14.851 1.00 44.13 N ATOM 356 CA ILE A 24 16.393 -22.672 -15.371 1.00 74.41 C ATOM 357 C ILE A 24 16.314 -22.544 -16.889 1.00 31.14 C ATOM 358 O ILE A 24 17.125 -21.854 -17.506 1.00 55.13 O ATOM 359 CB ILE A 24 15.119 -22.069 -14.749 1.00 43.04 C ATOM 360 CG1 ILE A 24 15.101 -20.551 -14.942 1.00 62.23 C ATOM 361 CG2 ILE A 24 15.033 -22.422 -13.272 1.00 51.30 C ATOM 362 CD1 ILE A 24 13.900 -20.055 -15.715 1.00 54.34 C ATOM 0 H ILE A 24 17.568 -21.012 -14.865 1.00 44.13 H new ATOM 0 HA ILE A 24 16.456 -23.726 -15.101 1.00 74.41 H new ATOM 0 HB ILE A 24 14.250 -22.491 -15.254 1.00 43.04 H new ATOM 0 HG12 ILE A 24 15.119 -20.068 -13.965 1.00 62.23 H new ATOM 0 HG13 ILE A 24 16.009 -20.248 -15.464 1.00 62.23 H new ATOM 0 HG21 ILE A 24 14.128 -21.989 -12.847 1.00 51.30 H new ATOM 0 HG22 ILE A 24 15.005 -23.506 -13.158 1.00 51.30 H new ATOM 0 HG23 ILE A 24 15.904 -22.025 -12.752 1.00 51.30 H new ATOM 0 HD11 ILE A 24 13.953 -18.971 -15.814 1.00 54.34 H new ATOM 0 HD12 ILE A 24 13.892 -20.509 -16.706 1.00 54.34 H new ATOM 0 HD13 ILE A 24 12.988 -20.327 -15.184 1.00 54.34 H new ATOM 374 N SER A 25 15.331 -23.213 -17.483 1.00 51.43 N ATOM 375 CA SER A 25 15.147 -23.175 -18.929 1.00 73.23 C ATOM 376 C SER A 25 14.051 -22.185 -19.312 1.00 31.00 C ATOM 377 O SER A 25 13.353 -21.651 -18.450 1.00 43.03 O ATOM 378 CB SER A 25 14.798 -24.568 -19.456 1.00 73.44 C ATOM 379 OG SER A 25 15.344 -24.777 -20.747 1.00 63.00 O ATOM 0 H SER A 25 14.650 -23.787 -16.986 1.00 51.43 H new ATOM 0 HA SER A 25 16.083 -22.847 -19.381 1.00 73.23 H new ATOM 0 HB2 SER A 25 15.178 -25.325 -18.770 1.00 73.44 H new ATOM 0 HB3 SER A 25 13.715 -24.686 -19.492 1.00 73.44 H new ATOM 0 HG SER A 25 15.108 -25.675 -21.060 1.00 63.00 H new ATOM 385 N ALA A 26 13.906 -21.945 -20.611 1.00 62.31 N ATOM 386 CA ALA A 26 12.895 -21.021 -21.109 1.00 72.44 C ATOM 387 C ALA A 26 11.534 -21.308 -20.484 1.00 73.24 C ATOM 388 O ALA A 26 10.829 -20.392 -20.063 1.00 35.13 O ATOM 389 CB ALA A 26 12.809 -21.101 -22.626 1.00 74.34 C ATOM 0 H ALA A 26 14.476 -22.378 -21.338 1.00 62.31 H new ATOM 0 HA ALA A 26 13.190 -20.011 -20.826 1.00 72.44 H new ATOM 0 HB1 ALA A 26 12.050 -20.406 -22.985 1.00 74.34 H new ATOM 0 HB2 ALA A 26 13.774 -20.840 -23.059 1.00 74.34 H new ATOM 0 HB3 ALA A 26 12.541 -22.115 -22.922 1.00 74.34 H new ATOM 395 N ALA A 27 11.171 -22.585 -20.429 1.00 34.41 N ATOM 396 CA ALA A 27 9.894 -22.992 -19.854 1.00 63.42 C ATOM 397 C ALA A 27 9.673 -22.342 -18.493 1.00 21.33 C ATOM 398 O ALA A 27 8.718 -21.589 -18.301 1.00 70.45 O ATOM 399 CB ALA A 27 9.829 -24.508 -19.735 1.00 13.24 C ATOM 0 H ALA A 27 11.743 -23.356 -20.775 1.00 34.41 H new ATOM 0 HA ALA A 27 9.099 -22.656 -20.520 1.00 63.42 H new ATOM 0 HB1 ALA A 27 8.871 -24.798 -19.304 1.00 13.24 H new ATOM 0 HB2 ALA A 27 9.933 -24.955 -20.723 1.00 13.24 H new ATOM 0 HB3 ALA A 27 10.637 -24.857 -19.092 1.00 13.24 H new ATOM 405 N ASP A 28 10.561 -22.638 -17.550 1.00 31.22 N ATOM 406 CA ASP A 28 10.463 -22.082 -16.205 1.00 54.04 C ATOM 407 C ASP A 28 10.362 -20.561 -16.253 1.00 11.52 C ATOM 408 O ASP A 28 9.746 -19.941 -15.385 1.00 35.13 O ATOM 409 CB ASP A 28 11.672 -22.500 -15.368 1.00 4.51 C ATOM 410 CG ASP A 28 11.344 -23.611 -14.391 1.00 23.13 C ATOM 411 OD1 ASP A 28 10.256 -23.562 -13.780 1.00 4.51 O ATOM 412 OD2 ASP A 28 12.176 -24.530 -14.236 1.00 33.30 O ATOM 0 H ASP A 28 11.357 -23.260 -17.692 1.00 31.22 H new ATOM 0 HA ASP A 28 9.558 -22.474 -15.741 1.00 54.04 H new ATOM 0 HB2 ASP A 28 12.473 -22.828 -16.031 1.00 4.51 H new ATOM 0 HB3 ASP A 28 12.046 -21.636 -14.819 1.00 4.51 H new ATOM 417 N LEU A 29 10.972 -19.964 -17.271 1.00 53.01 N ATOM 418 CA LEU A 29 10.952 -18.514 -17.432 1.00 32.13 C ATOM 419 C LEU A 29 9.567 -18.032 -17.853 1.00 4.22 C ATOM 420 O LEU A 29 8.991 -17.143 -17.225 1.00 45.13 O ATOM 421 CB LEU A 29 11.992 -18.082 -18.467 1.00 12.43 C ATOM 422 CG LEU A 29 12.382 -16.603 -18.449 1.00 75.23 C ATOM 423 CD1 LEU A 29 13.265 -16.298 -17.250 1.00 24.32 C ATOM 424 CD2 LEU A 29 13.085 -16.222 -19.743 1.00 44.14 C ATOM 0 H LEU A 29 11.487 -20.462 -17.998 1.00 53.01 H new ATOM 0 HA LEU A 29 11.196 -18.063 -16.470 1.00 32.13 H new ATOM 0 HB2 LEU A 29 12.893 -18.677 -18.317 1.00 12.43 H new ATOM 0 HB3 LEU A 29 11.611 -18.325 -19.459 1.00 12.43 H new ATOM 0 HG LEU A 29 11.473 -16.008 -18.364 1.00 75.23 H new ATOM 0 HD11 LEU A 29 13.532 -15.241 -17.254 1.00 24.32 H new ATOM 0 HD12 LEU A 29 12.726 -16.532 -16.332 1.00 24.32 H new ATOM 0 HD13 LEU A 29 14.171 -16.902 -17.303 1.00 24.32 H new ATOM 0 HD21 LEU A 29 13.355 -15.166 -19.713 1.00 44.14 H new ATOM 0 HD22 LEU A 29 13.986 -16.824 -19.858 1.00 44.14 H new ATOM 0 HD23 LEU A 29 12.418 -16.402 -20.586 1.00 44.14 H new ATOM 436 N ARG A 30 9.038 -18.625 -18.918 1.00 22.54 N ATOM 437 CA ARG A 30 7.721 -18.257 -19.422 1.00 32.12 C ATOM 438 C ARG A 30 6.658 -18.426 -18.340 1.00 11.41 C ATOM 439 O ARG A 30 5.700 -17.655 -18.271 1.00 32.13 O ATOM 440 CB ARG A 30 7.362 -19.108 -20.641 1.00 73.03 C ATOM 441 CG ARG A 30 6.223 -18.535 -21.470 1.00 22.44 C ATOM 442 CD ARG A 30 5.992 -19.346 -22.735 1.00 64.32 C ATOM 443 NE ARG A 30 6.963 -19.022 -23.777 1.00 71.54 N ATOM 444 CZ ARG A 30 6.965 -19.585 -24.981 1.00 34.34 C ATOM 445 NH1 ARG A 30 6.052 -20.495 -25.292 1.00 14.11 N ATOM 446 NH2 ARG A 30 7.881 -19.238 -25.876 1.00 14.04 N ATOM 0 H ARG A 30 9.502 -19.363 -19.449 1.00 22.54 H new ATOM 0 HA ARG A 30 7.752 -17.208 -19.716 1.00 32.12 H new ATOM 0 HB2 ARG A 30 8.244 -19.212 -21.273 1.00 73.03 H new ATOM 0 HB3 ARG A 30 7.089 -20.109 -20.307 1.00 73.03 H new ATOM 0 HG2 ARG A 30 5.310 -18.520 -20.875 1.00 22.44 H new ATOM 0 HG3 ARG A 30 6.448 -17.502 -21.735 1.00 22.44 H new ATOM 0 HD2 ARG A 30 6.053 -20.409 -22.501 1.00 64.32 H new ATOM 0 HD3 ARG A 30 4.985 -19.159 -23.107 1.00 64.32 H new ATOM 0 HE ARG A 30 7.679 -18.326 -23.569 1.00 71.54 H new ATOM 0 HH11 ARG A 30 5.346 -20.764 -24.607 1.00 14.11 H new ATOM 0 HH12 ARG A 30 6.056 -20.926 -26.217 1.00 14.11 H new ATOM 0 HH21 ARG A 30 8.585 -18.538 -25.640 1.00 14.04 H new ATOM 0 HH22 ARG A 30 7.881 -19.671 -26.800 1.00 14.04 H new ATOM 460 N HIS A 31 6.834 -19.439 -17.497 1.00 52.44 N ATOM 461 CA HIS A 31 5.890 -19.708 -16.419 1.00 30.44 C ATOM 462 C HIS A 31 5.983 -18.638 -15.335 1.00 71.31 C ATOM 463 O HIS A 31 5.019 -17.917 -15.076 1.00 23.32 O ATOM 464 CB HIS A 31 6.155 -21.087 -15.814 1.00 32.42 C ATOM 465 CG HIS A 31 5.091 -22.094 -16.129 1.00 2.25 C ATOM 466 ND1 HIS A 31 3.747 -21.851 -15.943 1.00 14.11 N ATOM 467 CD2 HIS A 31 5.180 -23.352 -16.621 1.00 3.52 C ATOM 468 CE1 HIS A 31 3.055 -22.916 -16.306 1.00 33.22 C ATOM 469 NE2 HIS A 31 3.901 -23.841 -16.722 1.00 2.05 N ATOM 0 H HIS A 31 7.621 -20.086 -17.540 1.00 52.44 H new ATOM 0 HA HIS A 31 4.884 -19.690 -16.837 1.00 30.44 H new ATOM 0 HB2 HIS A 31 7.113 -21.457 -16.179 1.00 32.42 H new ATOM 0 HB3 HIS A 31 6.242 -20.989 -14.732 1.00 32.42 H new ATOM 0 HD2 HIS A 31 6.088 -23.874 -16.885 1.00 3.52 H new ATOM 0 HE1 HIS A 31 1.980 -23.014 -16.269 1.00 33.22 H new ATOM 0 HE2 HIS A 31 3.646 -24.768 -17.063 1.00 2.05 H new ATOM 477 N VAL A 32 7.149 -18.541 -14.705 1.00 21.05 N ATOM 478 CA VAL A 32 7.368 -17.559 -13.649 1.00 61.03 C ATOM 479 C VAL A 32 7.037 -16.151 -14.132 1.00 24.14 C ATOM 480 O VAL A 32 6.414 -15.369 -13.414 1.00 44.13 O ATOM 481 CB VAL A 32 8.824 -17.589 -13.148 1.00 21.32 C ATOM 482 CG1 VAL A 32 9.021 -16.591 -12.018 1.00 14.45 C ATOM 483 CG2 VAL A 32 9.205 -18.993 -12.702 1.00 74.11 C ATOM 0 H VAL A 32 7.957 -19.130 -14.907 1.00 21.05 H new ATOM 0 HA VAL A 32 6.703 -17.824 -12.827 1.00 61.03 H new ATOM 0 HB VAL A 32 9.479 -17.303 -13.971 1.00 21.32 H new ATOM 0 HG11 VAL A 32 10.056 -16.627 -11.677 1.00 14.45 H new ATOM 0 HG12 VAL A 32 8.791 -15.587 -12.375 1.00 14.45 H new ATOM 0 HG13 VAL A 32 8.358 -16.843 -11.191 1.00 14.45 H new ATOM 0 HG21 VAL A 32 10.237 -18.996 -12.351 1.00 74.11 H new ATOM 0 HG22 VAL A 32 8.546 -19.309 -11.894 1.00 74.11 H new ATOM 0 HG23 VAL A 32 9.105 -19.681 -13.542 1.00 74.11 H new ATOM 493 N MET A 33 7.458 -15.835 -15.352 1.00 24.41 N ATOM 494 CA MET A 33 7.205 -14.521 -15.931 1.00 61.32 C ATOM 495 C MET A 33 5.711 -14.300 -16.143 1.00 51.53 C ATOM 496 O MET A 33 5.131 -13.353 -15.610 1.00 51.12 O ATOM 497 CB MET A 33 7.948 -14.374 -17.260 1.00 62.44 C ATOM 498 CG MET A 33 9.446 -14.168 -17.100 1.00 34.21 C ATOM 499 SD MET A 33 10.048 -12.725 -17.998 1.00 63.51 S ATOM 500 CE MET A 33 10.258 -13.412 -19.639 1.00 43.31 C ATOM 0 H MET A 33 7.976 -16.471 -15.959 1.00 24.41 H new ATOM 0 HA MET A 33 7.571 -13.767 -15.234 1.00 61.32 H new ATOM 0 HB2 MET A 33 7.775 -15.265 -17.864 1.00 62.44 H new ATOM 0 HB3 MET A 33 7.530 -13.530 -17.809 1.00 62.44 H new ATOM 0 HG2 MET A 33 9.683 -14.057 -16.042 1.00 34.21 H new ATOM 0 HG3 MET A 33 9.971 -15.056 -17.453 1.00 34.21 H new ATOM 0 HE1 MET A 33 11.199 -13.061 -20.063 1.00 43.31 H new ATOM 0 HE2 MET A 33 10.271 -14.500 -19.579 1.00 43.31 H new ATOM 0 HE3 MET A 33 9.432 -13.094 -20.275 1.00 43.31 H new ATOM 510 N THR A 34 5.092 -15.178 -16.926 1.00 31.11 N ATOM 511 CA THR A 34 3.666 -15.077 -17.210 1.00 31.35 C ATOM 512 C THR A 34 2.845 -15.124 -15.926 1.00 22.52 C ATOM 513 O THR A 34 1.703 -14.669 -15.891 1.00 41.22 O ATOM 514 CB THR A 34 3.198 -16.207 -18.146 1.00 62.13 C ATOM 515 OG1 THR A 34 3.905 -16.137 -19.390 1.00 1.15 O ATOM 516 CG2 THR A 34 1.702 -16.113 -18.402 1.00 75.11 C ATOM 0 H THR A 34 5.556 -15.967 -17.375 1.00 31.11 H new ATOM 0 HA THR A 34 3.509 -14.118 -17.704 1.00 31.35 H new ATOM 0 HB THR A 34 3.408 -17.160 -17.662 1.00 62.13 H new ATOM 0 HG1 THR A 34 4.665 -16.756 -19.370 1.00 1.15 H new ATOM 0 HG21 THR A 34 1.395 -16.921 -19.066 1.00 75.11 H new ATOM 0 HG22 THR A 34 1.165 -16.196 -17.457 1.00 75.11 H new ATOM 0 HG23 THR A 34 1.472 -15.154 -18.867 1.00 75.11 H new ATOM 524 N ASN A 35 3.436 -15.678 -14.872 1.00 35.34 N ATOM 525 CA ASN A 35 2.758 -15.785 -13.584 1.00 40.45 C ATOM 526 C ASN A 35 2.888 -14.487 -12.793 1.00 32.04 C ATOM 527 O ASN A 35 1.890 -13.905 -12.365 1.00 72.04 O ATOM 528 CB ASN A 35 3.335 -16.949 -12.776 1.00 14.52 C ATOM 529 CG ASN A 35 2.741 -17.035 -11.383 1.00 1.31 C ATOM 530 OD1 ASN A 35 1.530 -17.184 -11.220 1.00 51.33 O ATOM 531 ND2 ASN A 35 3.594 -16.941 -10.370 1.00 3.13 N ATOM 0 H ASN A 35 4.382 -16.060 -14.884 1.00 35.34 H new ATOM 0 HA ASN A 35 1.700 -15.971 -13.771 1.00 40.45 H new ATOM 0 HB2 ASN A 35 3.149 -17.883 -13.306 1.00 14.52 H new ATOM 0 HB3 ASN A 35 4.416 -16.835 -12.701 1.00 14.52 H new ATOM 0 HD21 ASN A 35 3.253 -16.992 -9.410 1.00 3.13 H new ATOM 0 HD22 ASN A 35 4.590 -16.818 -10.552 1.00 3.13 H new ATOM 538 N LEU A 36 4.123 -14.039 -12.601 1.00 4.41 N ATOM 539 CA LEU A 36 4.385 -12.809 -11.861 1.00 12.11 C ATOM 540 C LEU A 36 3.959 -11.587 -12.668 1.00 0.30 C ATOM 541 O LEU A 36 4.775 -10.961 -13.343 1.00 60.15 O ATOM 542 CB LEU A 36 5.870 -12.709 -11.508 1.00 12.14 C ATOM 543 CG LEU A 36 6.250 -13.120 -10.085 1.00 24.21 C ATOM 544 CD1 LEU A 36 7.003 -14.442 -10.094 1.00 54.15 C ATOM 545 CD2 LEU A 36 7.085 -12.034 -9.421 1.00 72.40 C ATOM 0 H LEU A 36 4.960 -14.509 -12.947 1.00 4.41 H new ATOM 0 HA LEU A 36 3.801 -12.836 -10.941 1.00 12.11 H new ATOM 0 HB2 LEU A 36 6.432 -13.329 -12.206 1.00 12.14 H new ATOM 0 HB3 LEU A 36 6.192 -11.680 -11.666 1.00 12.14 H new ATOM 0 HG LEU A 36 5.334 -13.250 -9.509 1.00 24.21 H new ATOM 0 HD11 LEU A 36 7.265 -14.718 -9.073 1.00 54.15 H new ATOM 0 HD12 LEU A 36 6.372 -15.217 -10.529 1.00 54.15 H new ATOM 0 HD13 LEU A 36 7.912 -14.339 -10.687 1.00 54.15 H new ATOM 0 HD21 LEU A 36 7.346 -12.344 -8.409 1.00 72.40 H new ATOM 0 HD22 LEU A 36 7.996 -11.872 -9.997 1.00 72.40 H new ATOM 0 HD23 LEU A 36 6.512 -11.108 -9.380 1.00 72.40 H new ATOM 557 N GLY A 37 2.675 -11.251 -12.591 1.00 12.20 N ATOM 558 CA GLY A 37 2.163 -10.103 -13.317 1.00 62.44 C ATOM 559 C GLY A 37 2.513 -10.147 -14.792 1.00 24.34 C ATOM 560 O GLY A 37 2.783 -11.215 -15.340 1.00 31.31 O ATOM 0 H GLY A 37 1.980 -11.753 -12.039 1.00 12.20 H new ATOM 0 HA2 GLY A 37 1.080 -10.060 -13.205 1.00 62.44 H new ATOM 0 HA3 GLY A 37 2.566 -9.190 -12.878 1.00 62.44 H new ATOM 564 N GLU A 38 2.508 -8.984 -15.435 1.00 12.24 N ATOM 565 CA GLU A 38 2.825 -8.895 -16.855 1.00 70.31 C ATOM 566 C GLU A 38 1.940 -9.834 -17.670 1.00 32.12 C ATOM 567 O GLU A 38 2.351 -10.937 -18.030 1.00 71.30 O ATOM 568 CB GLU A 38 4.299 -9.231 -17.093 1.00 74.42 C ATOM 569 CG GLU A 38 5.254 -8.146 -16.625 1.00 73.24 C ATOM 570 CD GLU A 38 5.919 -8.484 -15.305 1.00 62.24 C ATOM 571 OE1 GLU A 38 6.873 -9.290 -15.310 1.00 50.03 O ATOM 572 OE2 GLU A 38 5.486 -7.942 -14.267 1.00 54.12 O ATOM 0 H GLU A 38 2.288 -8.090 -14.995 1.00 12.24 H new ATOM 0 HA GLU A 38 2.636 -7.872 -17.180 1.00 70.31 H new ATOM 0 HB2 GLU A 38 4.539 -10.161 -16.578 1.00 74.42 H new ATOM 0 HB3 GLU A 38 4.456 -9.407 -18.157 1.00 74.42 H new ATOM 0 HG2 GLU A 38 6.020 -7.990 -17.384 1.00 73.24 H new ATOM 0 HG3 GLU A 38 4.710 -7.207 -16.523 1.00 73.24 H new ATOM 579 N LYS A 39 0.721 -9.388 -17.956 1.00 63.44 N ATOM 580 CA LYS A 39 -0.224 -10.186 -18.729 1.00 23.33 C ATOM 581 C LYS A 39 -0.157 -9.826 -20.209 1.00 54.24 C ATOM 582 O LYS A 39 -1.018 -9.110 -20.724 1.00 2.13 O ATOM 583 CB LYS A 39 -1.646 -9.977 -18.205 1.00 75.43 C ATOM 584 CG LYS A 39 -1.795 -10.257 -16.720 1.00 11.33 C ATOM 585 CD LYS A 39 -2.610 -9.177 -16.028 1.00 54.11 C ATOM 586 CE LYS A 39 -1.845 -7.865 -15.950 1.00 51.20 C ATOM 587 NZ LYS A 39 -2.725 -6.733 -15.548 1.00 50.53 N ATOM 0 H LYS A 39 0.364 -8.478 -17.664 1.00 63.44 H new ATOM 0 HA LYS A 39 0.047 -11.236 -18.617 1.00 23.33 H new ATOM 0 HB2 LYS A 39 -1.950 -8.950 -18.405 1.00 75.43 H new ATOM 0 HB3 LYS A 39 -2.327 -10.624 -18.758 1.00 75.43 H new ATOM 0 HG2 LYS A 39 -2.276 -11.225 -16.578 1.00 11.33 H new ATOM 0 HG3 LYS A 39 -0.809 -10.321 -16.260 1.00 11.33 H new ATOM 0 HD2 LYS A 39 -3.544 -9.023 -16.568 1.00 54.11 H new ATOM 0 HD3 LYS A 39 -2.873 -9.506 -15.023 1.00 54.11 H new ATOM 0 HE2 LYS A 39 -1.029 -7.962 -15.234 1.00 51.20 H new ATOM 0 HE3 LYS A 39 -1.395 -7.649 -16.919 1.00 51.20 H new ATOM 0 HZ1 LYS A 39 -2.166 -5.857 -15.506 1.00 50.53 H new ATOM 0 HZ2 LYS A 39 -3.490 -6.623 -16.244 1.00 50.53 H new ATOM 0 HZ3 LYS A 39 -3.135 -6.927 -14.612 1.00 50.53 H new ATOM 601 N LEU A 40 0.867 -10.327 -20.890 1.00 44.32 N ATOM 602 CA LEU A 40 1.045 -10.059 -22.313 1.00 50.31 C ATOM 603 C LEU A 40 0.658 -11.275 -23.149 1.00 2.33 C ATOM 604 O LEU A 40 0.317 -12.329 -22.611 1.00 14.41 O ATOM 605 CB LEU A 40 2.495 -9.668 -22.602 1.00 5.15 C ATOM 606 CG LEU A 40 2.849 -8.196 -22.388 1.00 2.32 C ATOM 607 CD1 LEU A 40 2.064 -7.314 -23.346 1.00 14.54 C ATOM 608 CD2 LEU A 40 2.585 -7.788 -20.946 1.00 3.32 C ATOM 0 H LEU A 40 1.587 -10.921 -20.480 1.00 44.32 H new ATOM 0 HA LEU A 40 0.391 -9.231 -22.585 1.00 50.31 H new ATOM 0 HB2 LEU A 40 3.146 -10.273 -21.971 1.00 5.15 H new ATOM 0 HB3 LEU A 40 2.721 -9.929 -23.636 1.00 5.15 H new ATOM 0 HG LEU A 40 3.911 -8.064 -22.593 1.00 2.32 H new ATOM 0 HD11 LEU A 40 2.329 -6.270 -23.179 1.00 14.54 H new ATOM 0 HD12 LEU A 40 2.303 -7.589 -24.373 1.00 14.54 H new ATOM 0 HD13 LEU A 40 0.996 -7.450 -23.173 1.00 14.54 H new ATOM 0 HD21 LEU A 40 2.843 -6.737 -20.812 1.00 3.32 H new ATOM 0 HD22 LEU A 40 1.530 -7.935 -20.713 1.00 3.32 H new ATOM 0 HD23 LEU A 40 3.193 -8.399 -20.278 1.00 3.32 H new ATOM 620 N THR A 41 0.716 -11.122 -24.468 1.00 70.52 N ATOM 621 CA THR A 41 0.373 -12.208 -25.379 1.00 1.35 C ATOM 622 C THR A 41 1.587 -13.081 -25.675 1.00 32.01 C ATOM 623 O THR A 41 2.721 -12.708 -25.373 1.00 54.34 O ATOM 624 CB THR A 41 -0.194 -11.670 -26.706 1.00 13.43 C ATOM 625 OG1 THR A 41 0.855 -11.089 -27.487 1.00 44.35 O ATOM 626 CG2 THR A 41 -1.277 -10.632 -26.450 1.00 41.11 C ATOM 0 H THR A 41 0.997 -10.257 -24.930 1.00 70.52 H new ATOM 0 HA THR A 41 -0.390 -12.808 -24.883 1.00 1.35 H new ATOM 0 HB THR A 41 -0.634 -12.504 -27.253 1.00 13.43 H new ATOM 0 HG1 THR A 41 0.486 -10.751 -28.330 1.00 44.35 H new ATOM 0 HG21 THR A 41 -1.663 -10.266 -27.402 1.00 41.11 H new ATOM 0 HG22 THR A 41 -2.088 -11.085 -25.880 1.00 41.11 H new ATOM 0 HG23 THR A 41 -0.857 -9.800 -25.885 1.00 41.11 H new ATOM 634 N ASP A 42 1.342 -14.245 -26.267 1.00 50.53 N ATOM 635 CA ASP A 42 2.416 -15.171 -26.606 1.00 40.14 C ATOM 636 C ASP A 42 3.468 -14.488 -27.474 1.00 65.35 C ATOM 637 O ASP A 42 4.637 -14.873 -27.466 1.00 43.22 O ATOM 638 CB ASP A 42 1.853 -16.394 -27.332 1.00 44.12 C ATOM 639 CG ASP A 42 1.537 -17.535 -26.385 1.00 45.30 C ATOM 640 OD1 ASP A 42 2.431 -17.921 -25.602 1.00 53.01 O ATOM 641 OD2 ASP A 42 0.397 -18.041 -26.426 1.00 53.30 O ATOM 0 H ASP A 42 0.409 -14.569 -26.522 1.00 50.53 H new ATOM 0 HA ASP A 42 2.890 -15.495 -25.679 1.00 40.14 H new ATOM 0 HB2 ASP A 42 0.948 -16.110 -27.868 1.00 44.12 H new ATOM 0 HB3 ASP A 42 2.572 -16.733 -28.078 1.00 44.12 H new ATOM 646 N GLU A 43 3.044 -13.475 -28.223 1.00 4.31 N ATOM 647 CA GLU A 43 3.951 -12.741 -29.098 1.00 11.41 C ATOM 648 C GLU A 43 4.800 -11.756 -28.299 1.00 21.11 C ATOM 649 O GLU A 43 6.019 -11.704 -28.456 1.00 4.43 O ATOM 650 CB GLU A 43 3.162 -11.993 -30.175 1.00 32.20 C ATOM 651 CG GLU A 43 3.803 -12.054 -31.551 1.00 51.32 C ATOM 652 CD GLU A 43 3.097 -11.172 -32.563 1.00 11.01 C ATOM 653 OE1 GLU A 43 2.092 -10.531 -32.193 1.00 15.33 O ATOM 654 OE2 GLU A 43 3.551 -11.123 -33.726 1.00 33.45 O ATOM 0 H GLU A 43 2.079 -13.144 -28.242 1.00 4.31 H new ATOM 0 HA GLU A 43 4.614 -13.461 -29.577 1.00 11.41 H new ATOM 0 HB2 GLU A 43 2.157 -12.410 -30.233 1.00 32.20 H new ATOM 0 HB3 GLU A 43 3.057 -10.949 -29.878 1.00 32.20 H new ATOM 0 HG2 GLU A 43 4.847 -11.750 -31.475 1.00 51.32 H new ATOM 0 HG3 GLU A 43 3.796 -13.085 -31.906 1.00 51.32 H new ATOM 661 N GLU A 44 4.145 -10.978 -27.443 1.00 4.22 N ATOM 662 CA GLU A 44 4.840 -9.994 -26.621 1.00 21.25 C ATOM 663 C GLU A 44 5.800 -10.677 -25.650 1.00 14.22 C ATOM 664 O GLU A 44 6.923 -10.218 -25.444 1.00 43.03 O ATOM 665 CB GLU A 44 3.833 -9.142 -25.845 1.00 61.30 C ATOM 666 CG GLU A 44 3.402 -7.886 -26.583 1.00 63.24 C ATOM 667 CD GLU A 44 2.112 -8.078 -27.357 1.00 44.13 C ATOM 668 OE1 GLU A 44 1.031 -7.858 -26.773 1.00 40.41 O ATOM 669 OE2 GLU A 44 2.185 -8.448 -28.548 1.00 20.11 O ATOM 0 H GLU A 44 3.135 -11.010 -27.301 1.00 4.22 H new ATOM 0 HA GLU A 44 5.418 -9.348 -27.283 1.00 21.25 H new ATOM 0 HB2 GLU A 44 2.952 -9.745 -25.626 1.00 61.30 H new ATOM 0 HB3 GLU A 44 4.271 -8.859 -24.888 1.00 61.30 H new ATOM 0 HG2 GLU A 44 3.274 -7.074 -25.867 1.00 63.24 H new ATOM 0 HG3 GLU A 44 4.192 -7.584 -27.270 1.00 63.24 H new ATOM 676 N VAL A 45 5.347 -11.776 -25.055 1.00 24.12 N ATOM 677 CA VAL A 45 6.165 -12.523 -24.106 1.00 75.21 C ATOM 678 C VAL A 45 7.391 -13.120 -24.788 1.00 12.25 C ATOM 679 O VAL A 45 8.452 -13.249 -24.177 1.00 32.24 O ATOM 680 CB VAL A 45 5.359 -13.655 -23.441 1.00 10.12 C ATOM 681 CG1 VAL A 45 6.233 -14.434 -22.470 1.00 45.30 C ATOM 682 CG2 VAL A 45 4.134 -13.093 -22.735 1.00 3.21 C ATOM 0 H VAL A 45 4.419 -12.169 -25.213 1.00 24.12 H new ATOM 0 HA VAL A 45 6.487 -11.817 -23.340 1.00 75.21 H new ATOM 0 HB VAL A 45 5.020 -14.341 -24.218 1.00 10.12 H new ATOM 0 HG11 VAL A 45 5.646 -15.229 -22.010 1.00 45.30 H new ATOM 0 HG12 VAL A 45 7.076 -14.869 -23.007 1.00 45.30 H new ATOM 0 HG13 VAL A 45 6.604 -13.763 -21.696 1.00 45.30 H new ATOM 0 HG21 VAL A 45 3.576 -13.906 -22.271 1.00 3.21 H new ATOM 0 HG22 VAL A 45 4.449 -12.385 -21.968 1.00 3.21 H new ATOM 0 HG23 VAL A 45 3.498 -12.584 -23.459 1.00 3.21 H new ATOM 692 N ASP A 46 7.238 -13.481 -26.057 1.00 22.23 N ATOM 693 CA ASP A 46 8.334 -14.063 -26.823 1.00 70.10 C ATOM 694 C ASP A 46 9.561 -13.157 -26.792 1.00 15.43 C ATOM 695 O ASP A 46 10.651 -13.585 -26.415 1.00 73.31 O ATOM 696 CB ASP A 46 7.900 -14.306 -28.270 1.00 5.34 C ATOM 697 CG ASP A 46 8.074 -15.751 -28.691 1.00 64.45 C ATOM 698 OD1 ASP A 46 7.709 -16.647 -27.902 1.00 75.34 O ATOM 699 OD2 ASP A 46 8.577 -15.987 -29.810 1.00 61.03 O ATOM 0 H ASP A 46 6.366 -13.381 -26.577 1.00 22.23 H new ATOM 0 HA ASP A 46 8.598 -15.017 -26.366 1.00 70.10 H new ATOM 0 HB2 ASP A 46 6.854 -14.020 -28.386 1.00 5.34 H new ATOM 0 HB3 ASP A 46 8.481 -13.665 -28.933 1.00 5.34 H new ATOM 704 N GLU A 47 9.374 -11.902 -27.191 1.00 33.51 N ATOM 705 CA GLU A 47 10.466 -10.937 -27.210 1.00 1.20 C ATOM 706 C GLU A 47 10.958 -10.644 -25.795 1.00 42.05 C ATOM 707 O GLU A 47 12.133 -10.344 -25.585 1.00 40.15 O ATOM 708 CB GLU A 47 10.017 -9.639 -27.885 1.00 3.25 C ATOM 709 CG GLU A 47 11.170 -8.752 -28.326 1.00 34.21 C ATOM 710 CD GLU A 47 10.717 -7.359 -28.717 1.00 1.34 C ATOM 711 OE1 GLU A 47 10.329 -7.167 -29.888 1.00 10.12 O ATOM 712 OE2 GLU A 47 10.751 -6.460 -27.850 1.00 40.11 O ATOM 0 H GLU A 47 8.477 -11.531 -27.505 1.00 33.51 H new ATOM 0 HA GLU A 47 11.289 -11.369 -27.780 1.00 1.20 H new ATOM 0 HB2 GLU A 47 9.405 -9.884 -28.753 1.00 3.25 H new ATOM 0 HB3 GLU A 47 9.383 -9.081 -27.196 1.00 3.25 H new ATOM 0 HG2 GLU A 47 11.898 -8.680 -27.518 1.00 34.21 H new ATOM 0 HG3 GLU A 47 11.678 -9.216 -29.172 1.00 34.21 H new ATOM 719 N MET A 48 10.050 -10.733 -24.829 1.00 41.02 N ATOM 720 CA MET A 48 10.391 -10.478 -23.434 1.00 64.34 C ATOM 721 C MET A 48 11.500 -11.416 -22.966 1.00 52.21 C ATOM 722 O MET A 48 12.414 -11.003 -22.252 1.00 41.42 O ATOM 723 CB MET A 48 9.157 -10.645 -22.546 1.00 71.43 C ATOM 724 CG MET A 48 8.870 -9.437 -21.670 1.00 44.44 C ATOM 725 SD MET A 48 8.977 -9.813 -19.910 1.00 61.23 S ATOM 726 CE MET A 48 10.740 -9.652 -19.636 1.00 33.12 C ATOM 0 H MET A 48 9.073 -10.980 -24.986 1.00 41.02 H new ATOM 0 HA MET A 48 10.749 -9.452 -23.355 1.00 64.34 H new ATOM 0 HB2 MET A 48 8.290 -10.840 -23.177 1.00 71.43 H new ATOM 0 HB3 MET A 48 9.293 -11.520 -21.911 1.00 71.43 H new ATOM 0 HG2 MET A 48 9.576 -8.642 -21.911 1.00 44.44 H new ATOM 0 HG3 MET A 48 7.874 -9.058 -21.896 1.00 44.44 H new ATOM 0 HE1 MET A 48 10.935 -9.554 -18.568 1.00 33.12 H new ATOM 0 HE2 MET A 48 11.250 -10.536 -20.018 1.00 33.12 H new ATOM 0 HE3 MET A 48 11.110 -8.768 -20.155 1.00 33.12 H new ATOM 736 N ILE A 49 11.412 -12.678 -23.372 1.00 12.12 N ATOM 737 CA ILE A 49 12.408 -13.673 -22.994 1.00 0.52 C ATOM 738 C ILE A 49 13.744 -13.399 -23.676 1.00 23.02 C ATOM 739 O ILE A 49 14.798 -13.802 -23.183 1.00 61.34 O ATOM 740 CB ILE A 49 11.945 -15.097 -23.350 1.00 74.35 C ATOM 741 CG1 ILE A 49 10.613 -15.411 -22.665 1.00 1.42 C ATOM 742 CG2 ILE A 49 13.004 -16.114 -22.952 1.00 71.12 C ATOM 743 CD1 ILE A 49 9.975 -16.696 -23.143 1.00 70.00 C ATOM 0 H ILE A 49 10.661 -13.036 -23.963 1.00 12.12 H new ATOM 0 HA ILE A 49 12.532 -13.600 -21.914 1.00 0.52 H new ATOM 0 HB ILE A 49 11.800 -15.156 -24.429 1.00 74.35 H new ATOM 0 HG12 ILE A 49 10.773 -15.473 -21.589 1.00 1.42 H new ATOM 0 HG13 ILE A 49 9.922 -14.586 -22.837 1.00 1.42 H new ATOM 0 HG21 ILE A 49 12.661 -17.116 -23.210 1.00 71.12 H new ATOM 0 HG22 ILE A 49 13.932 -15.900 -23.482 1.00 71.12 H new ATOM 0 HG23 ILE A 49 13.179 -16.056 -21.878 1.00 71.12 H new ATOM 0 HD11 ILE A 49 9.035 -16.854 -22.614 1.00 70.00 H new ATOM 0 HD12 ILE A 49 9.783 -16.630 -24.214 1.00 70.00 H new ATOM 0 HD13 ILE A 49 10.647 -17.531 -22.946 1.00 70.00 H new ATOM 755 N ARG A 50 13.693 -12.710 -24.811 1.00 11.42 N ATOM 756 CA ARG A 50 14.899 -12.381 -25.560 1.00 64.25 C ATOM 757 C ARG A 50 15.861 -11.557 -24.709 1.00 70.22 C ATOM 758 O ARG A 50 17.068 -11.798 -24.710 1.00 74.13 O ATOM 759 CB ARG A 50 14.541 -11.612 -26.833 1.00 50.03 C ATOM 760 CG ARG A 50 15.300 -12.082 -28.063 1.00 63.12 C ATOM 761 CD ARG A 50 14.486 -13.079 -28.874 1.00 1.55 C ATOM 762 NE ARG A 50 14.249 -12.612 -30.237 1.00 5.30 N ATOM 763 CZ ARG A 50 13.377 -13.175 -31.065 1.00 51.44 C ATOM 764 NH1 ARG A 50 12.662 -14.219 -30.671 1.00 13.02 N ATOM 765 NH2 ARG A 50 13.218 -12.692 -32.291 1.00 71.33 N ATOM 0 H ARG A 50 12.829 -12.369 -25.232 1.00 11.42 H new ATOM 0 HA ARG A 50 15.392 -13.314 -25.834 1.00 64.25 H new ATOM 0 HB2 ARG A 50 13.471 -11.710 -27.017 1.00 50.03 H new ATOM 0 HB3 ARG A 50 14.742 -10.552 -26.676 1.00 50.03 H new ATOM 0 HG2 ARG A 50 15.552 -11.224 -28.686 1.00 63.12 H new ATOM 0 HG3 ARG A 50 16.240 -12.541 -27.758 1.00 63.12 H new ATOM 0 HD2 ARG A 50 15.009 -14.035 -28.904 1.00 1.55 H new ATOM 0 HD3 ARG A 50 13.531 -13.254 -28.380 1.00 1.55 H new ATOM 0 HE ARG A 50 14.782 -11.809 -30.571 1.00 5.30 H new ATOM 0 HH11 ARG A 50 12.781 -14.592 -29.729 1.00 13.02 H new ATOM 0 HH12 ARG A 50 11.993 -14.649 -31.310 1.00 13.02 H new ATOM 0 HH21 ARG A 50 13.766 -11.888 -32.597 1.00 71.33 H new ATOM 0 HH22 ARG A 50 12.548 -13.125 -32.927 1.00 71.33 H new ATOM 779 N GLU A 51 15.317 -10.584 -23.985 1.00 30.45 N ATOM 780 CA GLU A 51 16.128 -9.725 -23.130 1.00 55.52 C ATOM 781 C GLU A 51 16.798 -10.533 -22.024 1.00 20.44 C ATOM 782 O GLU A 51 18.018 -10.497 -21.866 1.00 31.40 O ATOM 783 CB GLU A 51 15.266 -8.618 -22.518 1.00 32.31 C ATOM 784 CG GLU A 51 14.563 -7.753 -23.550 1.00 13.30 C ATOM 785 CD GLU A 51 15.525 -6.882 -24.334 1.00 0.42 C ATOM 786 OE1 GLU A 51 16.267 -6.101 -23.702 1.00 10.24 O ATOM 787 OE2 GLU A 51 15.536 -6.980 -25.579 1.00 23.25 O ATOM 0 H GLU A 51 14.320 -10.371 -23.973 1.00 30.45 H new ATOM 0 HA GLU A 51 16.905 -9.273 -23.746 1.00 55.52 H new ATOM 0 HB2 GLU A 51 14.519 -9.070 -21.865 1.00 32.31 H new ATOM 0 HB3 GLU A 51 15.894 -7.984 -21.892 1.00 32.31 H new ATOM 0 HG2 GLU A 51 14.013 -8.392 -24.240 1.00 13.30 H new ATOM 0 HG3 GLU A 51 13.831 -7.120 -23.049 1.00 13.30 H new ATOM 794 N ALA A 52 15.991 -11.262 -21.259 1.00 71.04 N ATOM 795 CA ALA A 52 16.505 -12.081 -20.169 1.00 1.14 C ATOM 796 C ALA A 52 16.979 -13.438 -20.677 1.00 72.22 C ATOM 797 O ALA A 52 16.457 -14.479 -20.276 1.00 54.45 O ATOM 798 CB ALA A 52 15.441 -12.259 -19.096 1.00 21.14 C ATOM 0 H ALA A 52 14.978 -11.302 -21.375 1.00 71.04 H new ATOM 0 HA ALA A 52 17.362 -11.566 -19.734 1.00 1.14 H new ATOM 0 HB1 ALA A 52 15.838 -12.873 -18.288 1.00 21.14 H new ATOM 0 HB2 ALA A 52 15.154 -11.284 -18.703 1.00 21.14 H new ATOM 0 HB3 ALA A 52 14.568 -12.748 -19.527 1.00 21.14 H new ATOM 804 N ASP A 53 17.970 -13.420 -21.562 1.00 34.22 N ATOM 805 CA ASP A 53 18.514 -14.650 -22.125 1.00 61.21 C ATOM 806 C ASP A 53 19.661 -14.347 -23.084 1.00 62.51 C ATOM 807 O ASP A 53 19.484 -13.638 -24.075 1.00 72.30 O ATOM 808 CB ASP A 53 17.419 -15.432 -22.851 1.00 74.34 C ATOM 809 CG ASP A 53 17.976 -16.562 -23.695 1.00 1.10 C ATOM 810 OD1 ASP A 53 18.461 -16.284 -24.811 1.00 65.34 O ATOM 811 OD2 ASP A 53 17.926 -17.724 -23.239 1.00 42.32 O ATOM 0 H ASP A 53 18.413 -12.567 -21.905 1.00 34.22 H new ATOM 0 HA ASP A 53 18.899 -15.256 -21.305 1.00 61.21 H new ATOM 0 HB2 ASP A 53 16.721 -15.839 -22.119 1.00 74.34 H new ATOM 0 HB3 ASP A 53 16.853 -14.752 -23.488 1.00 74.34 H new ATOM 816 N ILE A 54 20.837 -14.888 -22.782 1.00 75.50 N ATOM 817 CA ILE A 54 22.012 -14.676 -23.617 1.00 61.02 C ATOM 818 C ILE A 54 21.875 -15.397 -24.954 1.00 35.44 C ATOM 819 O ILE A 54 21.415 -16.538 -25.011 1.00 20.25 O ATOM 820 CB ILE A 54 23.296 -15.158 -22.916 1.00 34.40 C ATOM 821 CG1 ILE A 54 23.455 -14.463 -21.562 1.00 44.15 C ATOM 822 CG2 ILE A 54 24.509 -14.901 -23.797 1.00 1.44 C ATOM 823 CD1 ILE A 54 24.505 -15.098 -20.677 1.00 34.00 C ATOM 0 H ILE A 54 21.001 -15.476 -21.965 1.00 75.50 H new ATOM 0 HA ILE A 54 22.084 -13.603 -23.792 1.00 61.02 H new ATOM 0 HB ILE A 54 23.218 -16.232 -22.745 1.00 34.40 H new ATOM 0 HG12 ILE A 54 23.715 -13.417 -21.728 1.00 44.15 H new ATOM 0 HG13 ILE A 54 22.497 -14.475 -21.042 1.00 44.15 H new ATOM 0 HG21 ILE A 54 25.408 -15.247 -23.288 1.00 1.44 H new ATOM 0 HG22 ILE A 54 24.395 -15.439 -24.738 1.00 1.44 H new ATOM 0 HG23 ILE A 54 24.594 -13.833 -23.997 1.00 1.44 H new ATOM 0 HD11 ILE A 54 24.564 -14.554 -19.734 1.00 34.00 H new ATOM 0 HD12 ILE A 54 24.236 -16.136 -20.481 1.00 34.00 H new ATOM 0 HD13 ILE A 54 25.473 -15.062 -21.177 1.00 34.00 H new ATOM 835 N ASP A 55 22.277 -14.726 -26.026 1.00 43.55 N ATOM 836 CA ASP A 55 22.202 -15.303 -27.363 1.00 61.23 C ATOM 837 C ASP A 55 20.761 -15.648 -27.726 1.00 50.10 C ATOM 838 O ASP A 55 19.834 -15.360 -26.970 1.00 40.02 O ATOM 839 CB ASP A 55 23.077 -16.555 -27.451 1.00 75.01 C ATOM 840 CG ASP A 55 24.086 -16.478 -28.580 1.00 33.32 C ATOM 841 OD1 ASP A 55 24.618 -15.376 -28.826 1.00 15.34 O ATOM 842 OD2 ASP A 55 24.343 -17.521 -29.218 1.00 1.30 O ATOM 0 H ASP A 55 22.659 -13.781 -25.996 1.00 43.55 H new ATOM 0 HA ASP A 55 22.569 -14.562 -28.073 1.00 61.23 H new ATOM 0 HB2 ASP A 55 23.603 -16.694 -26.506 1.00 75.01 H new ATOM 0 HB3 ASP A 55 22.442 -17.429 -27.594 1.00 75.01 H new ATOM 847 N GLY A 56 20.580 -16.266 -28.889 1.00 42.15 N ATOM 848 CA GLY A 56 19.250 -16.638 -29.333 1.00 35.43 C ATOM 849 C GLY A 56 18.823 -17.996 -28.810 1.00 63.05 C ATOM 850 O GLY A 56 19.388 -19.021 -29.193 1.00 70.00 O ATOM 0 H GLY A 56 21.332 -16.516 -29.532 1.00 42.15 H new ATOM 0 HA2 GLY A 56 18.536 -15.884 -29.003 1.00 35.43 H new ATOM 0 HA3 GLY A 56 19.223 -16.647 -30.423 1.00 35.43 H new ATOM 854 N ASP A 57 17.826 -18.004 -27.933 1.00 72.12 N ATOM 855 CA ASP A 57 17.325 -19.246 -27.357 1.00 34.32 C ATOM 856 C ASP A 57 18.418 -19.958 -26.566 1.00 35.05 C ATOM 857 O ASP A 57 19.141 -20.796 -27.102 1.00 43.43 O ATOM 858 CB ASP A 57 16.793 -20.166 -28.457 1.00 60.11 C ATOM 859 CG ASP A 57 15.936 -21.290 -27.908 1.00 63.04 C ATOM 860 OD1 ASP A 57 16.505 -22.247 -27.343 1.00 71.33 O ATOM 861 OD2 ASP A 57 14.697 -21.213 -28.045 1.00 1.22 O ATOM 0 H ASP A 57 17.349 -17.164 -27.605 1.00 72.12 H new ATOM 0 HA ASP A 57 16.511 -18.999 -26.676 1.00 34.32 H new ATOM 0 HB2 ASP A 57 16.208 -19.580 -29.165 1.00 60.11 H new ATOM 0 HB3 ASP A 57 17.632 -20.589 -29.010 1.00 60.11 H new ATOM 866 N GLY A 58 18.532 -19.617 -25.285 1.00 73.52 N ATOM 867 CA GLY A 58 19.539 -20.232 -24.441 1.00 64.31 C ATOM 868 C GLY A 58 19.032 -20.509 -23.040 1.00 32.11 C ATOM 869 O GLY A 58 18.005 -21.164 -22.864 1.00 13.22 O ATOM 0 H GLY A 58 17.945 -18.926 -24.818 1.00 73.52 H new ATOM 0 HA2 GLY A 58 19.869 -21.166 -24.896 1.00 64.31 H new ATOM 0 HA3 GLY A 58 20.410 -19.579 -24.386 1.00 64.31 H new ATOM 873 N GLN A 59 19.754 -20.011 -22.041 1.00 52.24 N ATOM 874 CA GLN A 59 19.371 -20.211 -20.649 1.00 10.33 C ATOM 875 C GLN A 59 19.320 -18.882 -19.902 1.00 51.21 C ATOM 876 O GLN A 59 20.025 -17.935 -20.251 1.00 14.53 O ATOM 877 CB GLN A 59 20.353 -21.159 -19.959 1.00 60.30 C ATOM 878 CG GLN A 59 19.845 -22.588 -19.852 1.00 64.22 C ATOM 879 CD GLN A 59 20.963 -23.590 -19.638 1.00 72.10 C ATOM 880 OE1 GLN A 59 22.100 -23.367 -20.053 1.00 44.31 O ATOM 881 NE2 GLN A 59 20.644 -24.703 -18.987 1.00 0.41 N ATOM 0 H GLN A 59 20.607 -19.466 -22.170 1.00 52.24 H new ATOM 0 HA GLN A 59 18.376 -20.655 -20.633 1.00 10.33 H new ATOM 0 HB2 GLN A 59 21.294 -21.157 -20.509 1.00 60.30 H new ATOM 0 HB3 GLN A 59 20.567 -20.782 -18.959 1.00 60.30 H new ATOM 0 HG2 GLN A 59 19.137 -22.657 -19.026 1.00 64.22 H new ATOM 0 HG3 GLN A 59 19.301 -22.845 -20.761 1.00 64.22 H new ATOM 0 HE21 GLN A 59 19.688 -24.847 -18.660 1.00 0.41 H new ATOM 0 HE22 GLN A 59 21.355 -25.414 -18.814 1.00 0.41 H new ATOM 890 N VAL A 60 18.481 -18.819 -18.873 1.00 52.31 N ATOM 891 CA VAL A 60 18.338 -17.606 -18.076 1.00 50.03 C ATOM 892 C VAL A 60 19.189 -17.675 -16.813 1.00 74.10 C ATOM 893 O VAL A 60 18.988 -18.542 -15.964 1.00 73.41 O ATOM 894 CB VAL A 60 16.869 -17.364 -17.681 1.00 22.25 C ATOM 895 CG1 VAL A 60 16.746 -16.115 -16.821 1.00 63.03 C ATOM 896 CG2 VAL A 60 15.995 -17.257 -18.920 1.00 54.55 C ATOM 0 H VAL A 60 17.890 -19.594 -18.572 1.00 52.31 H new ATOM 0 HA VAL A 60 18.680 -16.777 -18.696 1.00 50.03 H new ATOM 0 HB VAL A 60 16.524 -18.215 -17.094 1.00 22.25 H new ATOM 0 HG11 VAL A 60 15.701 -15.960 -16.552 1.00 63.03 H new ATOM 0 HG12 VAL A 60 17.340 -16.237 -15.915 1.00 63.03 H new ATOM 0 HG13 VAL A 60 17.109 -15.252 -17.379 1.00 63.03 H new ATOM 0 HG21 VAL A 60 14.961 -17.086 -18.622 1.00 54.55 H new ATOM 0 HG22 VAL A 60 16.337 -16.425 -19.536 1.00 54.55 H new ATOM 0 HG23 VAL A 60 16.060 -18.183 -19.492 1.00 54.55 H new ATOM 906 N ASN A 61 20.140 -16.754 -16.696 1.00 34.15 N ATOM 907 CA ASN A 61 21.022 -16.710 -15.535 1.00 71.31 C ATOM 908 C ASN A 61 20.318 -16.073 -14.341 1.00 23.24 C ATOM 909 O ASN A 61 19.588 -15.093 -14.487 1.00 42.33 O ATOM 910 CB ASN A 61 22.296 -15.930 -15.866 1.00 71.42 C ATOM 911 CG ASN A 61 23.315 -15.985 -14.745 1.00 23.33 C ATOM 912 OD1 ASN A 61 23.205 -16.802 -13.830 1.00 50.10 O ATOM 913 ND2 ASN A 61 24.315 -15.113 -14.811 1.00 34.35 N ATOM 0 H ASN A 61 20.320 -16.029 -17.390 1.00 34.15 H new ATOM 0 HA ASN A 61 21.288 -17.734 -15.273 1.00 71.31 H new ATOM 0 HB2 ASN A 61 22.739 -16.333 -16.776 1.00 71.42 H new ATOM 0 HB3 ASN A 61 22.040 -14.890 -16.070 1.00 71.42 H new ATOM 0 HD21 ASN A 61 25.031 -15.103 -14.085 1.00 34.35 H new ATOM 0 HD22 ASN A 61 24.366 -14.454 -15.588 1.00 34.35 H new ATOM 920 N TYR A 62 20.544 -16.637 -13.159 1.00 15.30 N ATOM 921 CA TYR A 62 19.930 -16.125 -11.939 1.00 62.40 C ATOM 922 C TYR A 62 20.270 -14.652 -11.734 1.00 71.35 C ATOM 923 O TYR A 62 19.483 -13.896 -11.167 1.00 35.02 O ATOM 924 CB TYR A 62 20.394 -16.940 -10.730 1.00 53.11 C ATOM 925 CG TYR A 62 19.994 -16.335 -9.403 1.00 45.22 C ATOM 926 CD1 TYR A 62 18.658 -16.229 -9.039 1.00 72.43 C ATOM 927 CD2 TYR A 62 20.954 -15.869 -8.513 1.00 24.41 C ATOM 928 CE1 TYR A 62 18.289 -15.677 -7.828 1.00 54.54 C ATOM 929 CE2 TYR A 62 20.595 -15.316 -7.299 1.00 75.41 C ATOM 930 CZ TYR A 62 19.260 -15.222 -6.962 1.00 5.33 C ATOM 931 OH TYR A 62 18.897 -14.672 -5.754 1.00 11.31 O ATOM 0 H TYR A 62 21.147 -17.448 -13.020 1.00 15.30 H new ATOM 0 HA TYR A 62 18.849 -16.218 -12.040 1.00 62.40 H new ATOM 0 HB2 TYR A 62 19.981 -17.946 -10.800 1.00 53.11 H new ATOM 0 HB3 TYR A 62 21.479 -17.038 -10.763 1.00 53.11 H new ATOM 0 HD1 TYR A 62 17.894 -16.584 -9.715 1.00 72.43 H new ATOM 0 HD2 TYR A 62 21.999 -15.940 -8.775 1.00 24.41 H new ATOM 0 HE1 TYR A 62 17.245 -15.602 -7.561 1.00 54.54 H new ATOM 0 HE2 TYR A 62 21.354 -14.960 -6.618 1.00 75.41 H new ATOM 0 HH TYR A 62 19.467 -13.898 -5.563 1.00 11.31 H new ATOM 941 N GLU A 63 21.448 -14.253 -12.202 1.00 45.03 N ATOM 942 CA GLU A 63 21.893 -12.871 -12.071 1.00 2.52 C ATOM 943 C GLU A 63 21.131 -11.960 -13.030 1.00 24.31 C ATOM 944 O GLU A 63 21.068 -10.747 -12.832 1.00 41.25 O ATOM 945 CB GLU A 63 23.396 -12.767 -12.338 1.00 63.40 C ATOM 946 CG GLU A 63 24.250 -12.964 -11.097 1.00 21.53 C ATOM 947 CD GLU A 63 25.631 -13.502 -11.418 1.00 2.01 C ATOM 948 OE1 GLU A 63 26.073 -13.350 -12.576 1.00 3.44 O ATOM 949 OE2 GLU A 63 26.270 -14.075 -10.510 1.00 71.03 O ATOM 0 H GLU A 63 22.111 -14.867 -12.675 1.00 45.03 H new ATOM 0 HA GLU A 63 21.690 -12.547 -11.050 1.00 2.52 H new ATOM 0 HB2 GLU A 63 23.676 -13.511 -13.083 1.00 63.40 H new ATOM 0 HB3 GLU A 63 23.613 -11.789 -12.767 1.00 63.40 H new ATOM 0 HG2 GLU A 63 24.347 -12.013 -10.573 1.00 21.53 H new ATOM 0 HG3 GLU A 63 23.745 -13.652 -10.419 1.00 21.53 H new ATOM 956 N ASP A 64 20.555 -12.555 -14.069 1.00 25.24 N ATOM 957 CA ASP A 64 19.797 -11.799 -15.059 1.00 23.51 C ATOM 958 C ASP A 64 18.402 -11.468 -14.538 1.00 61.32 C ATOM 959 O ASP A 64 17.852 -10.408 -14.837 1.00 71.34 O ATOM 960 CB ASP A 64 19.694 -12.589 -16.365 1.00 33.13 C ATOM 961 CG ASP A 64 19.651 -11.689 -17.584 1.00 1.02 C ATOM 962 OD1 ASP A 64 19.069 -10.588 -17.489 1.00 0.12 O ATOM 963 OD2 ASP A 64 20.200 -12.085 -18.633 1.00 25.13 O ATOM 0 H ASP A 64 20.599 -13.558 -14.247 1.00 25.24 H new ATOM 0 HA ASP A 64 20.325 -10.865 -15.250 1.00 23.51 H new ATOM 0 HB2 ASP A 64 20.546 -13.265 -16.446 1.00 33.13 H new ATOM 0 HB3 ASP A 64 18.797 -13.208 -16.342 1.00 33.13 H new ATOM 968 N PHE A 65 17.835 -12.383 -13.758 1.00 53.45 N ATOM 969 CA PHE A 65 16.503 -12.189 -13.198 1.00 14.23 C ATOM 970 C PHE A 65 16.550 -11.254 -11.993 1.00 5.03 C ATOM 971 O PHE A 65 15.756 -10.319 -11.886 1.00 25.32 O ATOM 972 CB PHE A 65 15.897 -13.534 -12.790 1.00 50.44 C ATOM 973 CG PHE A 65 14.398 -13.570 -12.886 1.00 45.14 C ATOM 974 CD1 PHE A 65 13.774 -13.748 -14.110 1.00 54.33 C ATOM 975 CD2 PHE A 65 13.615 -13.427 -11.753 1.00 12.12 C ATOM 976 CE1 PHE A 65 12.395 -13.781 -14.201 1.00 50.43 C ATOM 977 CE2 PHE A 65 12.236 -13.459 -11.838 1.00 35.53 C ATOM 978 CZ PHE A 65 11.625 -13.638 -13.064 1.00 10.44 C ATOM 0 H PHE A 65 18.277 -13.265 -13.500 1.00 53.45 H new ATOM 0 HA PHE A 65 15.877 -11.733 -13.965 1.00 14.23 H new ATOM 0 HB2 PHE A 65 16.313 -14.318 -13.423 1.00 50.44 H new ATOM 0 HB3 PHE A 65 16.193 -13.761 -11.766 1.00 50.44 H new ATOM 0 HD1 PHE A 65 14.371 -13.862 -15.003 1.00 54.33 H new ATOM 0 HD2 PHE A 65 14.087 -13.289 -10.792 1.00 12.12 H new ATOM 0 HE1 PHE A 65 11.920 -13.919 -15.161 1.00 50.43 H new ATOM 0 HE2 PHE A 65 11.637 -13.344 -10.947 1.00 35.53 H new ATOM 0 HZ PHE A 65 10.548 -13.666 -13.133 1.00 10.44 H new ATOM 988 N VAL A 66 17.488 -11.514 -11.087 1.00 13.24 N ATOM 989 CA VAL A 66 17.641 -10.696 -9.889 1.00 33.41 C ATOM 990 C VAL A 66 17.728 -9.216 -10.242 1.00 1.24 C ATOM 991 O VAL A 66 17.284 -8.359 -9.478 1.00 33.21 O ATOM 992 CB VAL A 66 18.896 -11.098 -9.092 1.00 21.01 C ATOM 993 CG1 VAL A 66 18.824 -12.561 -8.683 1.00 71.44 C ATOM 994 CG2 VAL A 66 20.153 -10.824 -9.904 1.00 73.24 C ATOM 0 H VAL A 66 18.153 -12.284 -11.160 1.00 13.24 H new ATOM 0 HA VAL A 66 16.758 -10.868 -9.273 1.00 33.41 H new ATOM 0 HB VAL A 66 18.938 -10.494 -8.185 1.00 21.01 H new ATOM 0 HG11 VAL A 66 19.719 -12.826 -8.121 1.00 71.44 H new ATOM 0 HG12 VAL A 66 17.944 -12.722 -8.060 1.00 71.44 H new ATOM 0 HG13 VAL A 66 18.757 -13.185 -9.574 1.00 71.44 H new ATOM 0 HG21 VAL A 66 21.030 -11.114 -9.326 1.00 73.24 H new ATOM 0 HG22 VAL A 66 20.122 -11.400 -10.829 1.00 73.24 H new ATOM 0 HG23 VAL A 66 20.209 -9.761 -10.140 1.00 73.24 H new ATOM 1004 N GLN A 67 18.303 -8.923 -11.403 1.00 44.23 N ATOM 1005 CA GLN A 67 18.449 -7.545 -11.857 1.00 50.30 C ATOM 1006 C GLN A 67 17.095 -6.948 -12.228 1.00 45.12 C ATOM 1007 O GLN A 67 16.818 -5.785 -11.936 1.00 61.10 O ATOM 1008 CB GLN A 67 19.395 -7.478 -13.057 1.00 4.12 C ATOM 1009 CG GLN A 67 19.685 -6.061 -13.525 1.00 40.11 C ATOM 1010 CD GLN A 67 21.110 -5.887 -14.011 1.00 4.31 C ATOM 1011 OE1 GLN A 67 22.052 -5.876 -13.218 1.00 21.25 O ATOM 1012 NE2 GLN A 67 21.277 -5.749 -15.321 1.00 51.21 N ATOM 0 H GLN A 67 18.676 -9.621 -12.047 1.00 44.23 H new ATOM 0 HA GLN A 67 18.871 -6.962 -11.038 1.00 50.30 H new ATOM 0 HB2 GLN A 67 20.335 -7.965 -12.796 1.00 4.12 H new ATOM 0 HB3 GLN A 67 18.962 -8.043 -13.882 1.00 4.12 H new ATOM 0 HG2 GLN A 67 18.997 -5.800 -14.329 1.00 40.11 H new ATOM 0 HG3 GLN A 67 19.497 -5.366 -12.706 1.00 40.11 H new ATOM 0 HE21 GLN A 67 20.468 -5.764 -15.943 1.00 51.21 H new ATOM 0 HE22 GLN A 67 22.214 -5.628 -15.706 1.00 51.21 H new ATOM 1021 N MET A 68 16.257 -7.752 -12.874 1.00 11.31 N ATOM 1022 CA MET A 68 14.932 -7.302 -13.284 1.00 74.42 C ATOM 1023 C MET A 68 14.109 -6.863 -12.077 1.00 51.53 C ATOM 1024 O MET A 68 13.400 -5.858 -12.131 1.00 34.31 O ATOM 1025 CB MET A 68 14.201 -8.418 -14.035 1.00 3.41 C ATOM 1026 CG MET A 68 13.830 -8.047 -15.462 1.00 33.54 C ATOM 1027 SD MET A 68 12.054 -8.137 -15.762 1.00 40.52 S ATOM 1028 CE MET A 68 11.794 -6.633 -16.699 1.00 55.45 C ATOM 0 H MET A 68 16.472 -8.717 -13.125 1.00 11.31 H new ATOM 0 HA MET A 68 15.056 -6.446 -13.948 1.00 74.42 H new ATOM 0 HB2 MET A 68 14.831 -9.307 -14.051 1.00 3.41 H new ATOM 0 HB3 MET A 68 13.295 -8.680 -13.489 1.00 3.41 H new ATOM 0 HG2 MET A 68 14.180 -7.037 -15.673 1.00 33.54 H new ATOM 0 HG3 MET A 68 14.346 -8.714 -16.153 1.00 33.54 H new ATOM 0 HE1 MET A 68 10.739 -6.545 -16.960 1.00 55.45 H new ATOM 0 HE2 MET A 68 12.092 -5.774 -16.098 1.00 55.45 H new ATOM 0 HE3 MET A 68 12.392 -6.664 -17.610 1.00 55.45 H new ATOM 1038 N MET A 69 14.209 -7.621 -10.991 1.00 13.15 N ATOM 1039 CA MET A 69 13.474 -7.308 -9.770 1.00 51.34 C ATOM 1040 C MET A 69 13.859 -5.930 -9.242 1.00 43.53 C ATOM 1041 O MET A 69 13.015 -5.187 -8.740 1.00 40.33 O ATOM 1042 CB MET A 69 13.741 -8.369 -8.702 1.00 23.32 C ATOM 1043 CG MET A 69 12.550 -9.275 -8.434 1.00 24.14 C ATOM 1044 SD MET A 69 12.001 -10.155 -9.909 1.00 13.35 S ATOM 1045 CE MET A 69 10.251 -9.770 -9.900 1.00 4.02 C ATOM 0 H MET A 69 14.791 -8.456 -10.931 1.00 13.15 H new ATOM 0 HA MET A 69 12.410 -7.302 -10.008 1.00 51.34 H new ATOM 0 HB2 MET A 69 14.589 -8.980 -9.012 1.00 23.32 H new ATOM 0 HB3 MET A 69 14.027 -7.874 -7.774 1.00 23.32 H new ATOM 0 HG2 MET A 69 12.815 -9.998 -7.662 1.00 24.14 H new ATOM 0 HG3 MET A 69 11.725 -8.679 -8.043 1.00 24.14 H new ATOM 0 HE1 MET A 69 9.770 -10.245 -10.755 1.00 4.02 H new ATOM 0 HE2 MET A 69 9.802 -10.141 -8.979 1.00 4.02 H new ATOM 0 HE3 MET A 69 10.116 -8.690 -9.961 1.00 4.02 H new ATOM 1055 N THR A 70 15.140 -5.593 -9.358 1.00 63.12 N ATOM 1056 CA THR A 70 15.638 -4.305 -8.891 1.00 75.23 C ATOM 1057 C THR A 70 15.320 -3.198 -9.890 1.00 64.33 C ATOM 1058 O THR A 70 14.989 -2.078 -9.505 1.00 14.22 O ATOM 1059 CB THR A 70 17.159 -4.344 -8.651 1.00 15.21 C ATOM 1060 OG1 THR A 70 17.735 -5.460 -9.338 1.00 50.13 O ATOM 1061 CG2 THR A 70 17.469 -4.442 -7.165 1.00 2.41 C ATOM 0 H THR A 70 15.852 -6.195 -9.772 1.00 63.12 H new ATOM 0 HA THR A 70 15.135 -4.095 -7.947 1.00 75.23 H new ATOM 0 HB THR A 70 17.589 -3.420 -9.036 1.00 15.21 H new ATOM 0 HG1 THR A 70 17.478 -5.431 -10.283 1.00 50.13 H new ATOM 0 HG21 THR A 70 18.549 -4.468 -7.020 1.00 2.41 H new ATOM 0 HG22 THR A 70 17.054 -3.576 -6.649 1.00 2.41 H new ATOM 0 HG23 THR A 70 17.026 -5.352 -6.760 1.00 2.41 H new ATOM 1069 N ALA A 71 15.424 -3.520 -11.176 1.00 20.24 N ATOM 1070 CA ALA A 71 15.145 -2.553 -12.230 1.00 64.20 C ATOM 1071 C ALA A 71 13.672 -2.161 -12.240 1.00 33.11 C ATOM 1072 O ALA A 71 12.838 -2.822 -11.620 1.00 4.15 O ATOM 1073 CB ALA A 71 15.553 -3.116 -13.584 1.00 32.24 C ATOM 0 H ALA A 71 15.699 -4.443 -11.512 1.00 20.24 H new ATOM 0 HA ALA A 71 15.731 -1.656 -12.030 1.00 64.20 H new ATOM 0 HB1 ALA A 71 15.339 -2.383 -14.362 1.00 32.24 H new ATOM 0 HB2 ALA A 71 16.620 -3.339 -13.579 1.00 32.24 H new ATOM 0 HB3 ALA A 71 14.993 -4.030 -13.782 1.00 32.24 H new ATOM 1079 N LYS A 72 13.356 -1.082 -12.947 1.00 43.53 N ATOM 1080 CA LYS A 72 11.983 -0.601 -13.039 1.00 51.30 C ATOM 1081 C LYS A 72 11.692 -0.046 -14.430 1.00 4.11 C ATOM 1082 O LYS A 72 10.555 0.337 -14.699 1.00 50.32 O ATOM 1083 CB LYS A 72 11.727 0.478 -11.984 1.00 41.33 C ATOM 1084 CG LYS A 72 10.253 0.722 -11.708 1.00 64.23 C ATOM 1085 CD LYS A 72 9.780 -0.050 -10.488 1.00 74.55 C ATOM 1086 CE LYS A 72 8.296 -0.373 -10.575 1.00 14.55 C ATOM 1087 NZ LYS A 72 7.494 0.449 -9.626 1.00 32.01 N ATOM 0 H LYS A 72 14.033 -0.523 -13.466 1.00 43.53 H new ATOM 0 HA LYS A 72 11.317 -1.444 -12.857 1.00 51.30 H new ATOM 0 HB2 LYS A 72 12.219 0.190 -11.055 1.00 41.33 H new ATOM 0 HB3 LYS A 72 12.186 1.411 -12.312 1.00 41.33 H new ATOM 0 HG2 LYS A 72 10.082 1.787 -11.555 1.00 64.23 H new ATOM 0 HG3 LYS A 72 9.665 0.427 -12.577 1.00 64.23 H new ATOM 0 HD2 LYS A 72 10.350 -0.975 -10.397 1.00 74.55 H new ATOM 0 HD3 LYS A 72 9.974 0.534 -9.588 1.00 74.55 H new ATOM 0 HE2 LYS A 72 7.945 -0.199 -11.592 1.00 14.55 H new ATOM 0 HE3 LYS A 72 8.141 -1.430 -10.361 1.00 14.55 H new ATOM 0 HZ1 LYS A 72 6.488 0.200 -9.715 1.00 32.01 H new ATOM 0 HZ2 LYS A 72 7.811 0.265 -8.653 1.00 32.01 H new ATOM 0 HZ3 LYS A 72 7.622 1.457 -9.846 1.00 32.01 H new TER 1101 LYS A 72