USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=22 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 Set 1.1: A 62 THR OG1 : rot -148:sc= 0.994 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.272 K(o=0.72,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0819 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00205 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= 0.0385 USER MOD Single : A 17 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -72:sc= 1.86 USER MOD Single : A 25 MET CE :methyl 153:sc= -0.161 (180deg=-0.773) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -78:sc= 0.535 USER MOD Single : A 37 SER OG : rot -170:sc= -0.706 USER MOD Single : A 38 THR OG1 : rot 110:sc= 1.04 USER MOD Single : A 44 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.495 K(o=-0.5,f=-6.4!) USER MOD Single : A 57 ASN : amide:sc= -0.991 K(o=-0.99,f=-1.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -84:sc= 0.276 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 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= -1.21 K(o=-1.2,f=-4.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -25:sc= 0.0741 USER MOD Single : A 101 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.8) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.351 K(o=-0.35,f=0.27) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -142:sc= -0.105 (180deg=-0.853) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HE2:sc= 0.269 K(o=0.27,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.281 -10.867 -33.781 1.00 21.23 N ATOM 2 CA GLY A 1 -4.713 -10.977 -33.991 1.00 1.15 C ATOM 3 C GLY A 1 -5.257 -9.865 -34.865 1.00 71.30 C ATOM 4 O GLY A 1 -4.552 -8.918 -35.215 1.00 35.24 O ATOM 0 H1 GLY A 1 -2.807 -11.705 -34.175 1.00 21.23 H new ATOM 0 H2 GLY A 1 -2.925 -10.013 -34.256 1.00 21.23 H new ATOM 0 H3 GLY A 1 -3.083 -10.804 -32.762 1.00 21.23 H new ATOM 0 HA2 GLY A 1 -4.937 -11.939 -34.451 1.00 1.15 H new ATOM 0 HA3 GLY A 1 -5.221 -10.959 -33.027 1.00 1.15 H new ATOM 8 N PRO A 2 -6.543 -9.971 -35.233 1.00 41.24 N ATOM 9 CA PRO A 2 -7.210 -8.976 -36.076 1.00 63.15 C ATOM 10 C PRO A 2 -7.426 -7.652 -35.350 1.00 20.20 C ATOM 11 O PRO A 2 -7.061 -7.506 -34.185 1.00 62.40 O ATOM 12 CB PRO A 2 -8.554 -9.632 -36.404 1.00 11.53 C ATOM 13 CG PRO A 2 -8.798 -10.576 -35.279 1.00 31.44 C ATOM 14 CD PRO A 2 -7.444 -11.072 -34.853 1.00 64.13 C ATOM 0 HA PRO A 2 -6.617 -8.724 -36.956 1.00 63.15 H new ATOM 0 HB2 PRO A 2 -9.349 -8.890 -36.478 1.00 11.53 H new ATOM 0 HB3 PRO A 2 -8.517 -10.156 -37.359 1.00 11.53 H new ATOM 0 HG2 PRO A 2 -9.308 -10.077 -34.455 1.00 31.44 H new ATOM 0 HG3 PRO A 2 -9.435 -11.403 -35.594 1.00 31.44 H new ATOM 0 HD2 PRO A 2 -7.407 -11.270 -33.782 1.00 64.13 H new ATOM 0 HD3 PRO A 2 -7.179 -12.001 -35.358 1.00 64.13 H new ATOM 22 N GLY A 3 -8.022 -6.689 -36.048 1.00 1.24 N ATOM 23 CA GLY A 3 -8.276 -5.390 -35.454 1.00 33.32 C ATOM 24 C GLY A 3 -8.078 -4.254 -36.437 1.00 12.15 C ATOM 25 O GLY A 3 -7.579 -4.461 -37.543 1.00 41.34 O ATOM 0 H GLY A 3 -8.333 -6.786 -37.014 1.00 1.24 H new ATOM 0 HA2 GLY A 3 -9.296 -5.362 -35.072 1.00 33.32 H new ATOM 0 HA3 GLY A 3 -7.612 -5.248 -34.601 1.00 33.32 H new ATOM 29 N SER A 4 -8.470 -3.049 -36.033 1.00 32.11 N ATOM 30 CA SER A 4 -8.337 -1.876 -36.889 1.00 61.32 C ATOM 31 C SER A 4 -7.051 -1.118 -36.576 1.00 44.23 C ATOM 32 O SER A 4 -6.238 -1.563 -35.767 1.00 73.31 O ATOM 33 CB SER A 4 -9.543 -0.952 -36.713 1.00 44.43 C ATOM 34 OG SER A 4 -9.817 -0.237 -37.905 1.00 11.15 O ATOM 0 H SER A 4 -8.882 -2.860 -35.119 1.00 32.11 H new ATOM 0 HA SER A 4 -8.295 -2.215 -37.924 1.00 61.32 H new ATOM 0 HB2 SER A 4 -10.416 -1.539 -36.429 1.00 44.43 H new ATOM 0 HB3 SER A 4 -9.352 -0.251 -35.901 1.00 44.43 H new ATOM 0 HG SER A 4 -10.593 0.345 -37.766 1.00 11.15 H new ATOM 40 N MET A 5 -6.876 0.029 -37.223 1.00 73.43 N ATOM 41 CA MET A 5 -5.689 0.850 -37.014 1.00 14.51 C ATOM 42 C MET A 5 -6.075 2.280 -36.649 1.00 15.11 C ATOM 43 O MET A 5 -7.003 2.848 -37.224 1.00 41.12 O ATOM 44 CB MET A 5 -4.814 0.851 -38.269 1.00 40.32 C ATOM 45 CG MET A 5 -3.552 1.686 -38.130 1.00 43.01 C ATOM 46 SD MET A 5 -2.366 0.967 -36.976 1.00 11.32 S ATOM 47 CE MET A 5 -1.475 -0.148 -38.058 1.00 12.43 C ATOM 0 H MET A 5 -7.540 0.411 -37.896 1.00 73.43 H new ATOM 0 HA MET A 5 -5.123 0.422 -36.187 1.00 14.51 H new ATOM 0 HB2 MET A 5 -4.536 -0.175 -38.509 1.00 40.32 H new ATOM 0 HB3 MET A 5 -5.398 1.227 -39.109 1.00 40.32 H new ATOM 0 HG2 MET A 5 -3.082 1.793 -39.108 1.00 43.01 H new ATOM 0 HG3 MET A 5 -3.819 2.688 -37.793 1.00 43.01 H new ATOM 0 HE1 MET A 5 -0.704 -0.669 -37.489 1.00 12.43 H new ATOM 0 HE2 MET A 5 -2.168 -0.876 -38.481 1.00 12.43 H new ATOM 0 HE3 MET A 5 -1.010 0.421 -38.863 1.00 12.43 H new ATOM 57 N ASP A 6 -5.358 2.855 -35.690 1.00 11.14 N ATOM 58 CA ASP A 6 -5.625 4.220 -35.250 1.00 63.34 C ATOM 59 C ASP A 6 -4.399 4.822 -34.571 1.00 5.21 C ATOM 60 O ASP A 6 -3.352 4.181 -34.476 1.00 71.42 O ATOM 61 CB ASP A 6 -6.817 4.244 -34.292 1.00 31.23 C ATOM 62 CG ASP A 6 -6.644 3.291 -33.126 1.00 65.22 C ATOM 63 OD1 ASP A 6 -6.340 3.767 -32.011 1.00 61.13 O ATOM 64 OD2 ASP A 6 -6.812 2.072 -33.328 1.00 11.11 O1- ATOM 0 H ASP A 6 -4.588 2.398 -35.202 1.00 11.14 H new ATOM 0 HA ASP A 6 -5.862 4.820 -36.129 1.00 63.34 H new ATOM 0 HB2 ASP A 6 -6.953 5.257 -33.912 1.00 31.23 H new ATOM 0 HB3 ASP A 6 -7.723 3.984 -34.838 1.00 31.23 H new ATOM 69 N MET A 7 -4.536 6.057 -34.099 1.00 24.45 N ATOM 70 CA MET A 7 -3.440 6.745 -33.429 1.00 12.31 C ATOM 71 C MET A 7 -3.206 6.166 -32.037 1.00 2.41 C ATOM 72 O MET A 7 -3.974 5.330 -31.564 1.00 61.54 O ATOM 73 CB MET A 7 -3.734 8.243 -33.329 1.00 11.23 C ATOM 74 CG MET A 7 -2.485 9.110 -33.345 1.00 51.32 C ATOM 75 SD MET A 7 -2.776 10.734 -34.071 1.00 25.32 S ATOM 76 CE MET A 7 -1.648 10.690 -35.462 1.00 62.51 C ATOM 0 H MET A 7 -5.396 6.601 -34.169 1.00 24.45 H new ATOM 0 HA MET A 7 -2.536 6.599 -34.021 1.00 12.31 H new ATOM 0 HB2 MET A 7 -4.379 8.534 -34.158 1.00 11.23 H new ATOM 0 HB3 MET A 7 -4.288 8.436 -32.410 1.00 11.23 H new ATOM 0 HG2 MET A 7 -2.119 9.232 -32.325 1.00 51.32 H new ATOM 0 HG3 MET A 7 -1.701 8.601 -33.906 1.00 51.32 H new ATOM 0 HE1 MET A 7 -1.712 11.629 -36.012 1.00 62.51 H new ATOM 0 HE2 MET A 7 -0.629 10.551 -35.100 1.00 62.51 H new ATOM 0 HE3 MET A 7 -1.915 9.864 -36.121 1.00 62.51 H new ATOM 86 N PHE A 8 -2.139 6.619 -31.385 1.00 3.54 N ATOM 87 CA PHE A 8 -1.803 6.145 -30.047 1.00 21.13 C ATOM 88 C PHE A 8 -1.887 7.280 -29.031 1.00 4.32 C ATOM 89 O PHE A 8 -1.952 8.453 -29.399 1.00 2.32 O ATOM 90 CB PHE A 8 -0.399 5.537 -30.036 1.00 31.03 C ATOM 91 CG PHE A 8 -0.380 4.064 -30.327 1.00 51.20 C ATOM 92 CD1 PHE A 8 -0.782 3.149 -29.367 1.00 71.41 C ATOM 93 CD2 PHE A 8 0.040 3.594 -31.561 1.00 54.22 C ATOM 94 CE1 PHE A 8 -0.767 1.793 -29.632 1.00 55.12 C ATOM 95 CE2 PHE A 8 0.057 2.239 -31.832 1.00 71.44 C ATOM 96 CZ PHE A 8 -0.346 1.337 -30.866 1.00 63.50 C ATOM 0 H PHE A 8 -1.493 7.313 -31.761 1.00 3.54 H new ATOM 0 HA PHE A 8 -2.525 5.378 -29.768 1.00 21.13 H new ATOM 0 HB2 PHE A 8 0.217 6.052 -30.773 1.00 31.03 H new ATOM 0 HB3 PHE A 8 0.056 5.712 -29.061 1.00 31.03 H new ATOM 0 HD1 PHE A 8 -1.111 3.500 -28.400 1.00 71.41 H new ATOM 0 HD2 PHE A 8 0.358 4.294 -32.319 1.00 54.22 H new ATOM 0 HE1 PHE A 8 -1.084 1.091 -28.875 1.00 55.12 H new ATOM 0 HE2 PHE A 8 0.385 1.885 -32.798 1.00 71.44 H new ATOM 0 HZ PHE A 8 -0.332 0.278 -31.075 1.00 63.50 H new ATOM 106 N SER A 9 -1.885 6.922 -27.751 1.00 44.14 N ATOM 107 CA SER A 9 -1.966 7.909 -26.681 1.00 63.12 C ATOM 108 C SER A 9 -0.589 8.170 -26.078 1.00 52.32 C ATOM 109 O SER A 9 0.420 7.652 -26.557 1.00 53.53 O ATOM 110 CB SER A 9 -2.930 7.436 -25.592 1.00 34.53 C ATOM 111 OG SER A 9 -3.479 8.534 -24.884 1.00 72.44 O ATOM 0 H SER A 9 -1.828 5.956 -27.430 1.00 44.14 H new ATOM 0 HA SER A 9 -2.340 8.840 -27.107 1.00 63.12 H new ATOM 0 HB2 SER A 9 -3.733 6.851 -26.042 1.00 34.53 H new ATOM 0 HB3 SER A 9 -2.406 6.778 -24.899 1.00 34.53 H new ATOM 0 HG SER A 9 -4.093 8.205 -24.195 1.00 72.44 H new ATOM 117 N ALA A 10 -0.555 8.978 -25.024 1.00 24.13 N ATOM 118 CA ALA A 10 0.696 9.307 -24.352 1.00 0.13 C ATOM 119 C ALA A 10 0.512 9.359 -22.840 1.00 51.52 C ATOM 120 O ALA A 10 0.532 10.425 -22.224 1.00 13.44 O ATOM 121 CB ALA A 10 1.237 10.633 -24.866 1.00 71.34 C ATOM 0 H ALA A 10 -1.380 9.417 -24.616 1.00 24.13 H new ATOM 0 HA ALA A 10 1.417 8.521 -24.576 1.00 0.13 H new ATOM 0 HB1 ALA A 10 2.171 10.867 -24.356 1.00 71.34 H new ATOM 0 HB2 ALA A 10 1.417 10.561 -25.939 1.00 71.34 H new ATOM 0 HB3 ALA A 10 0.510 11.422 -24.672 1.00 71.34 H new ATOM 127 N PRO A 11 0.326 8.181 -22.225 1.00 62.34 N ATOM 128 CA PRO A 11 0.133 8.067 -20.776 1.00 14.41 C ATOM 129 C PRO A 11 1.404 8.385 -19.995 1.00 62.40 C ATOM 130 O PRO A 11 2.452 8.658 -20.582 1.00 14.13 O ATOM 131 CB PRO A 11 -0.258 6.599 -20.585 1.00 63.20 C ATOM 132 CG PRO A 11 0.336 5.893 -21.755 1.00 52.41 C ATOM 133 CD PRO A 11 0.290 6.872 -22.896 1.00 63.23 C ATOM 0 HA PRO A 11 -0.611 8.773 -20.407 1.00 14.41 H new ATOM 0 HB2 PRO A 11 0.130 6.205 -19.646 1.00 63.20 H new ATOM 0 HB3 PRO A 11 -1.341 6.478 -20.558 1.00 63.20 H new ATOM 0 HG2 PRO A 11 1.360 5.585 -21.546 1.00 52.41 H new ATOM 0 HG3 PRO A 11 -0.226 4.990 -21.993 1.00 52.41 H new ATOM 0 HD2 PRO A 11 1.137 6.743 -23.570 1.00 63.23 H new ATOM 0 HD3 PRO A 11 -0.614 6.751 -23.493 1.00 63.23 H new ATOM 141 N ASP A 12 1.305 8.348 -18.671 1.00 1.52 N ATOM 142 CA ASP A 12 2.447 8.631 -17.811 1.00 54.24 C ATOM 143 C ASP A 12 2.784 7.424 -16.942 1.00 1.12 C ATOM 144 O ASP A 12 3.375 7.564 -15.870 1.00 33.35 O ATOM 145 CB ASP A 12 2.158 9.846 -16.927 1.00 65.52 C ATOM 146 CG ASP A 12 1.566 11.002 -17.709 1.00 11.11 C ATOM 147 OD1 ASP A 12 0.358 11.273 -17.545 1.00 53.53 O ATOM 148 OD2 ASP A 12 2.311 11.637 -18.485 1.00 73.21 O1- ATOM 0 H ASP A 12 0.445 8.125 -18.170 1.00 1.52 H new ATOM 0 HA ASP A 12 3.305 8.850 -18.447 1.00 54.24 H new ATOM 0 HB2 ASP A 12 1.470 9.558 -16.132 1.00 65.52 H new ATOM 0 HB3 ASP A 12 3.081 10.171 -16.447 1.00 65.52 H new ATOM 153 N ARG A 13 2.405 6.239 -17.409 1.00 62.40 N ATOM 154 CA ARG A 13 2.665 5.007 -16.674 1.00 13.43 C ATOM 155 C ARG A 13 3.742 4.178 -17.367 1.00 51.13 C ATOM 156 O ARG A 13 3.476 3.510 -18.367 1.00 65.25 O ATOM 157 CB ARG A 13 1.381 4.188 -16.539 1.00 71.33 C ATOM 158 CG ARG A 13 0.178 5.008 -16.104 1.00 64.41 C ATOM 159 CD ARG A 13 -1.032 4.124 -15.838 1.00 64.44 C ATOM 160 NE ARG A 13 -2.061 4.822 -15.073 1.00 53.53 N ATOM 161 CZ ARG A 13 -3.070 4.206 -14.466 1.00 72.45 C ATOM 162 NH1 ARG A 13 -3.183 2.886 -14.535 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -3.967 4.910 -13.788 1.00 74.21 N ATOM 0 H ARG A 13 1.916 6.106 -18.294 1.00 62.40 H new ATOM 0 HA ARG A 13 3.022 5.275 -15.679 1.00 13.43 H new ATOM 0 HB2 ARG A 13 1.160 3.714 -17.495 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.545 3.388 -15.817 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.425 5.569 -15.203 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.065 5.737 -16.877 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -1.451 3.788 -16.786 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -0.718 3.233 -15.294 1.00 64.44 H new ATOM 0 HE ARG A 13 -2.002 5.838 -15.000 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -2.495 2.342 -15.055 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -3.958 2.415 -14.068 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -3.883 5.925 -13.732 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -4.741 4.436 -13.322 1.00 74.21 H new ATOM 177 N ILE A 14 4.955 4.225 -16.829 1.00 31.23 N ATOM 178 CA ILE A 14 6.071 3.477 -17.397 1.00 21.45 C ATOM 179 C ILE A 14 6.473 2.319 -16.490 1.00 33.43 C ATOM 180 O ILE A 14 6.626 2.470 -15.277 1.00 4.22 O ATOM 181 CB ILE A 14 7.296 4.382 -17.628 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.921 5.566 -18.521 1.00 40.21 C ATOM 183 CG2 ILE A 14 8.433 3.585 -18.247 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.465 6.785 -17.750 1.00 72.40 C ATOM 0 H ILE A 14 5.191 4.772 -16.001 1.00 31.23 H new ATOM 0 HA ILE A 14 5.733 3.085 -18.356 1.00 21.45 H new ATOM 0 HB ILE A 14 7.631 4.769 -16.665 1.00 63.41 H new ATOM 0 HG12 ILE A 14 7.781 5.835 -19.134 1.00 40.21 H new ATOM 0 HG13 ILE A 14 6.127 5.259 -19.202 1.00 40.21 H new ATOM 0 HG21 ILE A 14 9.292 4.238 -18.404 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.714 2.772 -17.578 1.00 71.10 H new ATOM 0 HG23 ILE A 14 8.110 3.173 -19.203 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.216 7.585 -18.448 1.00 72.40 H new ATOM 0 HD12 ILE A 14 5.585 6.533 -17.158 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.265 7.117 -17.088 1.00 72.40 H new ATOM 196 N PRO A 15 6.651 1.132 -17.090 1.00 52.44 N ATOM 197 CA PRO A 15 7.041 -0.075 -16.356 1.00 71.33 C ATOM 198 C PRO A 15 8.477 -0.007 -15.846 1.00 44.54 C ATOM 199 O PRO A 15 9.102 1.053 -15.870 1.00 21.35 O ATOM 200 CB PRO A 15 6.896 -1.186 -17.398 1.00 32.33 C ATOM 201 CG PRO A 15 7.062 -0.499 -18.709 1.00 35.51 C ATOM 202 CD PRO A 15 6.487 0.879 -18.531 1.00 52.11 C ATOM 0 HA PRO A 15 6.431 -0.224 -15.465 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.650 -1.961 -17.259 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.923 -1.672 -17.326 1.00 32.33 H new ATOM 0 HG2 PRO A 15 8.113 -0.449 -18.993 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.543 -1.039 -19.501 1.00 35.51 H new ATOM 0 HD2 PRO A 15 7.018 1.617 -19.132 1.00 52.11 H new ATOM 0 HD3 PRO A 15 5.439 0.919 -18.830 1.00 52.11 H new ATOM 210 N GLU A 16 8.992 -1.143 -15.388 1.00 24.10 N ATOM 211 CA GLU A 16 10.356 -1.210 -14.874 1.00 63.23 C ATOM 212 C GLU A 16 11.339 -0.585 -15.859 1.00 23.52 C ATOM 213 O GLU A 16 11.061 -0.488 -17.053 1.00 3.13 O ATOM 214 CB GLU A 16 10.748 -2.662 -14.595 1.00 12.45 C ATOM 215 CG GLU A 16 10.249 -3.182 -13.258 1.00 54.23 C ATOM 216 CD GLU A 16 10.818 -2.413 -12.083 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.062 -1.638 -11.459 1.00 73.31 O ATOM 218 OE2 GLU A 16 12.019 -2.583 -11.787 1.00 11.13 O1- ATOM 0 H GLU A 16 8.487 -2.029 -15.362 1.00 24.10 H new ATOM 0 HA GLU A 16 10.395 -0.646 -13.942 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.355 -3.295 -15.391 1.00 12.45 H new ATOM 0 HB3 GLU A 16 11.834 -2.748 -14.626 1.00 12.45 H new ATOM 0 HG2 GLU A 16 9.161 -3.123 -13.233 1.00 54.23 H new ATOM 0 HG3 GLU A 16 10.514 -4.235 -13.160 1.00 54.23 H new ATOM 225 N GLN A 17 12.492 -0.162 -15.347 1.00 15.32 N ATOM 226 CA GLN A 17 13.516 0.454 -16.180 1.00 43.30 C ATOM 227 C GLN A 17 14.214 -0.589 -17.047 1.00 14.04 C ATOM 228 O GLN A 17 14.377 -1.739 -16.639 1.00 32.12 O ATOM 229 CB GLN A 17 14.544 1.179 -15.309 1.00 2.54 C ATOM 230 CG GLN A 17 13.955 2.325 -14.501 1.00 15.05 C ATOM 231 CD GLN A 17 15.001 3.063 -13.688 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.992 3.555 -14.229 1.00 25.01 O ATOM 233 NE2 GLN A 17 14.786 3.144 -12.380 1.00 30.14 N ATOM 0 H GLN A 17 12.739 -0.235 -14.360 1.00 15.32 H new ATOM 0 HA GLN A 17 13.029 1.177 -16.834 1.00 43.30 H new ATOM 0 HB2 GLN A 17 15.001 0.462 -14.627 1.00 2.54 H new ATOM 0 HB3 GLN A 17 15.340 1.565 -15.946 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.464 3.026 -15.176 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.188 1.936 -13.832 1.00 15.05 H new ATOM 0 HE21 GLN A 17 13.951 2.722 -11.973 1.00 30.14 H new ATOM 0 HE22 GLN A 17 15.456 3.628 -11.782 1.00 30.14 H new ATOM 242 N ILE A 18 14.621 -0.180 -18.244 1.00 24.21 N ATOM 243 CA ILE A 18 15.302 -1.079 -19.167 1.00 45.03 C ATOM 244 C ILE A 18 16.582 -0.450 -19.706 1.00 53.13 C ATOM 245 O ILE A 18 16.898 0.700 -19.397 1.00 34.14 O ATOM 246 CB ILE A 18 14.394 -1.463 -20.351 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.789 -0.208 -20.985 1.00 64.44 C ATOM 248 CG2 ILE A 18 13.297 -2.412 -19.892 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.045 -0.100 -22.472 1.00 51.52 C ATOM 0 H ILE A 18 14.491 0.768 -18.597 1.00 24.21 H new ATOM 0 HA ILE A 18 15.552 -1.978 -18.604 1.00 45.03 H new ATOM 0 HB ILE A 18 14.997 -1.973 -21.102 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.713 -0.204 -20.808 1.00 64.44 H new ATOM 0 HG13 ILE A 18 14.197 0.673 -20.489 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.664 -2.674 -20.740 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.746 -3.316 -19.482 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.693 -1.927 -19.125 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.588 0.813 -22.855 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.119 -0.072 -22.655 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.612 -0.962 -22.979 1.00 51.52 H new ATOM 261 N ARG A 19 17.314 -1.210 -20.513 1.00 71.23 N ATOM 262 CA ARG A 19 18.559 -0.726 -21.096 1.00 75.34 C ATOM 263 C ARG A 19 18.513 -0.800 -22.619 1.00 62.41 C ATOM 264 O ARG A 19 18.051 -1.791 -23.188 1.00 51.13 O ATOM 265 CB ARG A 19 19.744 -1.541 -20.571 1.00 70.32 C ATOM 266 CG ARG A 19 21.031 -1.313 -21.346 1.00 12.13 C ATOM 267 CD ARG A 19 22.179 -2.129 -20.770 1.00 72.31 C ATOM 268 NE ARG A 19 22.269 -3.452 -21.383 1.00 22.42 N ATOM 269 CZ ARG A 19 23.057 -4.419 -20.926 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.816 -4.214 -19.860 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 23.084 -5.597 -21.537 1.00 23.13 N ATOM 0 H ARG A 19 17.067 -2.163 -20.778 1.00 71.23 H new ATOM 0 HA ARG A 19 18.685 0.317 -20.804 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.911 -1.290 -19.524 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.490 -2.600 -20.608 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.880 -1.582 -22.391 1.00 12.13 H new ATOM 0 HG3 ARG A 19 21.288 -0.254 -21.323 1.00 12.13 H new ATOM 0 HD2 ARG A 19 23.116 -1.594 -20.922 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.044 -2.236 -19.694 1.00 72.31 H new ATOM 0 HE ARG A 19 21.697 -3.643 -22.205 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.797 -3.311 -19.386 1.00 43.31 H new ATOM 0 HH12 ARG A 19 24.419 -4.959 -19.513 1.00 43.31 H new ATOM 0 HH21 ARG A 19 22.500 -5.760 -22.357 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.689 -6.340 -21.186 1.00 23.13 H new ATOM 285 N ILE A 20 18.993 0.252 -23.273 1.00 35.55 N ATOM 286 CA ILE A 20 19.006 0.305 -24.730 1.00 64.45 C ATOM 287 C ILE A 20 20.431 0.391 -25.264 1.00 32.03 C ATOM 288 O ILE A 20 21.383 0.557 -24.501 1.00 53.21 O ATOM 289 CB ILE A 20 18.198 1.506 -25.256 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.840 2.818 -24.803 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.755 1.423 -24.781 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.228 4.044 -25.444 1.00 21.13 C ATOM 0 H ILE A 20 19.378 1.079 -22.817 1.00 35.55 H new ATOM 0 HA ILE A 20 18.544 -0.616 -25.084 1.00 64.45 H new ATOM 0 HB ILE A 20 18.203 1.479 -26.346 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.751 2.902 -23.720 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.905 2.791 -25.034 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.197 2.279 -25.161 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.303 0.502 -25.150 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.730 1.428 -23.691 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.733 4.937 -25.076 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.341 3.983 -26.526 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.169 4.096 -25.192 1.00 21.13 H new ATOM 304 N PHE A 21 20.572 0.279 -26.581 1.00 73.53 N ATOM 305 CA PHE A 21 21.881 0.346 -27.218 1.00 64.54 C ATOM 306 C PHE A 21 21.955 1.522 -28.187 1.00 32.43 C ATOM 307 O PHE A 21 21.091 1.688 -29.048 1.00 22.23 O ATOM 308 CB PHE A 21 22.178 -0.959 -27.960 1.00 22.21 C ATOM 309 CG PHE A 21 22.912 -1.970 -27.125 1.00 75.22 C ATOM 310 CD1 PHE A 21 24.251 -2.236 -27.354 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.260 -2.653 -26.111 1.00 14.32 C ATOM 312 CE1 PHE A 21 24.929 -3.165 -26.588 1.00 63.25 C ATOM 313 CE2 PHE A 21 22.933 -3.583 -25.341 1.00 44.12 C ATOM 314 CZ PHE A 21 24.269 -3.840 -25.580 1.00 20.14 C ATOM 0 H PHE A 21 19.795 0.141 -27.227 1.00 73.53 H new ATOM 0 HA PHE A 21 22.629 0.492 -26.439 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.239 -1.395 -28.302 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.768 -0.736 -28.849 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.772 -1.711 -28.141 1.00 21.22 H new ATOM 0 HD2 PHE A 21 21.215 -2.457 -25.920 1.00 14.32 H new ATOM 0 HE1 PHE A 21 25.974 -3.363 -26.777 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.414 -4.109 -24.553 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.796 -4.567 -24.980 1.00 20.14 H new ATOM 324 N PHE A 22 22.994 2.338 -28.040 1.00 34.14 N ATOM 325 CA PHE A 22 23.182 3.500 -28.900 1.00 71.33 C ATOM 326 C PHE A 22 24.295 3.253 -29.914 1.00 24.13 C ATOM 327 O PHE A 22 25.479 3.290 -29.577 1.00 42.03 O ATOM 328 CB PHE A 22 23.509 4.736 -28.059 1.00 34.11 C ATOM 329 CG PHE A 22 22.299 5.541 -27.678 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.034 5.831 -26.351 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.427 6.005 -28.650 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.922 6.571 -25.997 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.313 6.745 -28.303 1.00 34.04 C ATOM 334 CZ PHE A 22 20.059 7.028 -26.975 1.00 31.31 C ATOM 0 H PHE A 22 23.719 2.215 -27.333 1.00 34.14 H new ATOM 0 HA PHE A 22 22.252 3.673 -29.442 1.00 71.33 H new ATOM 0 HB2 PHE A 22 24.026 4.422 -27.152 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.198 5.372 -28.615 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.704 5.475 -25.583 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.620 5.786 -29.690 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.728 6.792 -24.958 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.641 7.102 -29.070 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.188 7.605 -26.702 1.00 31.31 H new ATOM 344 N LYS A 23 23.906 2.999 -31.159 1.00 30.42 N ATOM 345 CA LYS A 23 24.868 2.745 -32.226 1.00 1.30 C ATOM 346 C LYS A 23 25.197 4.031 -32.978 1.00 12.33 C ATOM 347 O LYS A 23 24.311 4.688 -33.524 1.00 50.24 O ATOM 348 CB LYS A 23 24.319 1.699 -33.198 1.00 51.30 C ATOM 349 CG LYS A 23 25.356 1.174 -34.176 1.00 73.32 C ATOM 350 CD LYS A 23 24.704 0.538 -35.392 1.00 53.34 C ATOM 351 CE LYS A 23 25.743 -0.014 -36.356 1.00 11.44 C ATOM 352 NZ LYS A 23 25.281 -1.269 -37.010 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.930 2.963 -31.454 1.00 30.42 H new ATOM 0 HA LYS A 23 25.784 2.365 -31.773 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.913 0.863 -32.628 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.491 2.134 -33.758 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.003 1.991 -34.495 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.990 0.441 -33.677 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.040 -0.265 -35.072 1.00 53.34 H new ATOM 0 HD3 LYS A 23 24.087 1.277 -35.904 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.964 0.733 -37.119 1.00 11.44 H new ATOM 0 HE3 LYS A 23 26.672 -0.205 -35.819 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 26.017 -1.613 -37.659 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 25.094 -1.990 -36.284 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.409 -1.081 -37.544 1.00 75.34 H new ATOM 366 N THR A 24 26.479 4.383 -33.005 1.00 1.24 N ATOM 367 CA THR A 24 26.925 5.590 -33.690 1.00 41.43 C ATOM 368 C THR A 24 27.790 5.247 -34.898 1.00 55.05 C ATOM 369 O THR A 24 28.000 4.075 -35.211 1.00 23.40 O ATOM 370 CB THR A 24 27.722 6.510 -32.747 1.00 24.11 C ATOM 371 OG1 THR A 24 29.012 5.945 -32.487 1.00 65.51 O ATOM 372 CG2 THR A 24 26.978 6.716 -31.437 1.00 50.11 C ATOM 0 H THR A 24 27.226 3.849 -32.561 1.00 1.24 H new ATOM 0 HA THR A 24 26.029 6.114 -34.024 1.00 41.43 H new ATOM 0 HB THR A 24 27.842 7.478 -33.234 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.915 5.164 -31.903 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.560 7.369 -30.787 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.009 7.173 -31.637 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.831 5.754 -30.947 1.00 50.11 H new ATOM 380 N MET A 25 28.290 6.277 -35.573 1.00 73.10 N ATOM 381 CA MET A 25 29.135 6.083 -36.747 1.00 52.45 C ATOM 382 C MET A 25 30.541 5.654 -36.339 1.00 2.30 C ATOM 383 O MET A 25 31.354 5.275 -37.182 1.00 33.11 O ATOM 384 CB MET A 25 29.201 7.369 -37.572 1.00 30.23 C ATOM 385 CG MET A 25 29.813 8.541 -36.822 1.00 63.33 C ATOM 386 SD MET A 25 31.577 8.729 -37.147 1.00 45.42 S ATOM 387 CE MET A 25 31.556 9.181 -38.880 1.00 4.22 C ATOM 0 H MET A 25 28.125 7.253 -35.328 1.00 73.10 H new ATOM 0 HA MET A 25 28.695 5.292 -37.355 1.00 52.45 H new ATOM 0 HB2 MET A 25 29.783 7.182 -38.475 1.00 30.23 H new ATOM 0 HB3 MET A 25 28.194 7.638 -37.891 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.296 9.458 -37.104 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.657 8.404 -35.752 1.00 63.33 H new ATOM 0 HE1 MET A 25 32.439 9.776 -39.112 1.00 4.22 H new ATOM 0 HE2 MET A 25 31.556 8.279 -39.491 1.00 4.22 H new ATOM 0 HE3 MET A 25 30.660 9.764 -39.093 1.00 4.22 H new ATOM 397 N LYS A 26 30.821 5.716 -35.042 1.00 24.12 N ATOM 398 CA LYS A 26 32.128 5.332 -34.522 1.00 45.31 C ATOM 399 C LYS A 26 32.056 3.988 -33.805 1.00 52.32 C ATOM 400 O LYS A 26 32.975 3.176 -33.897 1.00 42.42 O ATOM 401 CB LYS A 26 32.654 6.405 -33.566 1.00 13.34 C ATOM 402 CG LYS A 26 34.053 6.122 -33.044 1.00 61.12 C ATOM 403 CD LYS A 26 35.114 6.490 -34.068 1.00 13.14 C ATOM 404 CE LYS A 26 35.336 7.994 -34.126 1.00 42.23 C ATOM 405 NZ LYS A 26 36.298 8.451 -33.084 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.160 6.029 -34.331 1.00 24.12 H new ATOM 0 HA LYS A 26 32.813 5.237 -35.365 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.654 7.367 -34.078 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.971 6.493 -32.721 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.221 6.685 -32.126 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.141 5.066 -32.791 1.00 61.12 H new ATOM 0 HD2 LYS A 26 36.051 5.992 -33.817 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.813 6.127 -35.051 1.00 13.14 H new ATOM 0 HE2 LYS A 26 35.711 8.269 -35.112 1.00 42.23 H new ATOM 0 HE3 LYS A 26 34.384 8.508 -33.992 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 36.423 9.481 -33.155 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.929 8.211 -32.142 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 37.214 7.980 -33.227 1.00 4.53 H new ATOM 419 N GLN A 27 30.957 3.761 -33.092 1.00 23.51 N ATOM 420 CA GLN A 27 30.766 2.514 -32.360 1.00 54.41 C ATOM 421 C GLN A 27 29.437 2.520 -31.612 1.00 32.12 C ATOM 422 O GLN A 27 28.713 3.516 -31.620 1.00 31.42 O ATOM 423 CB GLN A 27 31.917 2.293 -31.378 1.00 35.15 C ATOM 424 CG GLN A 27 32.299 3.540 -30.597 1.00 31.13 C ATOM 425 CD GLN A 27 33.197 3.237 -29.415 1.00 41.01 C ATOM 426 OE1 GLN A 27 34.109 2.415 -29.509 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.944 3.901 -28.293 1.00 44.23 N ATOM 0 H GLN A 27 30.186 4.423 -33.006 1.00 23.51 H new ATOM 0 HA GLN A 27 30.752 1.697 -33.081 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.639 1.506 -30.677 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.789 1.937 -31.927 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.805 4.240 -31.262 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.394 4.034 -30.243 1.00 31.13 H new ATOM 0 HE21 GLN A 27 32.178 4.573 -28.260 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.516 3.739 -27.464 1.00 44.23 H new ATOM 436 N VAL A 28 29.122 1.402 -30.966 1.00 3.05 N ATOM 437 CA VAL A 28 27.880 1.279 -30.212 1.00 24.14 C ATOM 438 C VAL A 28 28.151 1.226 -28.713 1.00 72.01 C ATOM 439 O VAL A 28 29.042 0.510 -28.257 1.00 14.41 O ATOM 440 CB VAL A 28 27.094 0.021 -30.626 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.877 -1.236 -30.279 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.725 0.007 -29.964 1.00 44.43 C ATOM 0 H VAL A 28 29.710 0.568 -30.950 1.00 3.05 H new ATOM 0 HA VAL A 28 27.283 2.162 -30.439 1.00 24.14 H new ATOM 0 HB VAL A 28 26.949 0.043 -31.706 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.306 -2.115 -30.579 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.832 -1.227 -30.805 1.00 4.54 H new ATOM 0 HG13 VAL A 28 28.055 -1.269 -29.204 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.183 -0.889 -30.268 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.845 0.009 -28.881 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.164 0.891 -30.269 1.00 44.43 H new ATOM 452 N VAL A 29 27.374 1.988 -27.948 1.00 62.35 N ATOM 453 CA VAL A 29 27.529 2.026 -26.499 1.00 73.41 C ATOM 454 C VAL A 29 26.193 1.805 -25.798 1.00 41.43 C ATOM 455 O VAL A 29 25.128 2.141 -26.317 1.00 63.42 O ATOM 456 CB VAL A 29 28.124 3.369 -26.034 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.643 3.298 -26.006 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.651 4.502 -26.933 1.00 63.42 C ATOM 0 H VAL A 29 26.631 2.587 -28.308 1.00 62.35 H new ATOM 0 HA VAL A 29 28.214 1.221 -26.232 1.00 73.41 H new ATOM 0 HB VAL A 29 27.774 3.570 -25.021 1.00 24.34 H new ATOM 0 HG11 VAL A 29 30.046 4.255 -25.675 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.958 2.514 -25.317 1.00 32.35 H new ATOM 0 HG13 VAL A 29 30.015 3.074 -27.006 1.00 32.35 H new ATOM 0 HG21 VAL A 29 28.081 5.443 -26.590 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.969 4.310 -27.958 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.563 4.566 -26.897 1.00 63.42 H new ATOM 468 N PRO A 30 26.249 1.226 -24.590 1.00 73.00 N ATOM 469 CA PRO A 30 25.052 0.947 -23.790 1.00 3.14 C ATOM 470 C PRO A 30 24.400 2.219 -23.259 1.00 71.14 C ATOM 471 O PRO A 30 25.060 3.246 -23.100 1.00 11.03 O ATOM 472 CB PRO A 30 25.587 0.098 -22.635 1.00 20.11 C ATOM 473 CG PRO A 30 27.022 0.483 -22.514 1.00 44.03 C ATOM 474 CD PRO A 30 27.484 0.799 -23.911 1.00 41.22 C ATOM 0 HA PRO A 30 24.276 0.454 -24.376 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.044 0.299 -21.711 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.479 -0.966 -22.843 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.141 1.346 -21.859 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.609 -0.328 -22.083 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.238 1.586 -23.917 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.928 -0.071 -24.394 1.00 41.22 H new ATOM 482 N ALA A 31 23.102 2.144 -22.986 1.00 53.34 N ATOM 483 CA ALA A 31 22.361 3.288 -22.470 1.00 43.44 C ATOM 484 C ALA A 31 21.285 2.847 -21.485 1.00 41.51 C ATOM 485 O ALA A 31 20.568 1.876 -21.726 1.00 52.01 O ATOM 486 CB ALA A 31 21.740 4.075 -23.616 1.00 11.05 C ATOM 0 H ALA A 31 22.541 1.302 -23.114 1.00 53.34 H new ATOM 0 HA ALA A 31 23.061 3.932 -21.938 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.190 4.927 -23.216 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.527 4.431 -24.281 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.059 3.431 -24.172 1.00 11.05 H new ATOM 492 N LYS A 32 21.177 3.568 -20.373 1.00 42.21 N ATOM 493 CA LYS A 32 20.187 3.251 -19.350 1.00 42.03 C ATOM 494 C LYS A 32 18.938 4.111 -19.517 1.00 53.43 C ATOM 495 O LYS A 32 19.029 5.322 -19.721 1.00 15.15 O ATOM 496 CB LYS A 32 20.781 3.462 -17.955 1.00 10.13 C ATOM 497 CG LYS A 32 21.181 4.900 -17.674 1.00 15.14 C ATOM 498 CD LYS A 32 22.032 5.007 -16.420 1.00 43.25 C ATOM 499 CE LYS A 32 23.422 4.428 -16.636 1.00 41.14 C ATOM 500 NZ LYS A 32 24.313 4.675 -15.471 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.763 4.375 -20.158 1.00 42.21 H new ATOM 0 HA LYS A 32 19.904 2.204 -19.464 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.054 3.144 -17.208 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.656 2.822 -17.841 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.734 5.298 -18.525 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.286 5.512 -17.561 1.00 15.14 H new ATOM 0 HD2 LYS A 32 22.115 6.053 -16.124 1.00 43.25 H new ATOM 0 HD3 LYS A 32 21.541 4.481 -15.601 1.00 43.25 H new ATOM 0 HE2 LYS A 32 23.345 3.355 -16.813 1.00 41.14 H new ATOM 0 HE3 LYS A 32 23.863 4.868 -17.530 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 25.250 4.265 -15.658 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 24.407 5.699 -15.317 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 23.905 4.234 -14.622 1.00 23.12 H new ATOM 514 N ALA A 33 17.774 3.478 -19.428 1.00 74.42 N ATOM 515 CA ALA A 33 16.506 4.186 -19.565 1.00 62.44 C ATOM 516 C ALA A 33 15.709 4.142 -18.266 1.00 33.43 C ATOM 517 O ALA A 33 15.452 3.070 -17.720 1.00 52.11 O ATOM 518 CB ALA A 33 15.692 3.594 -20.707 1.00 44.12 C ATOM 0 H ALA A 33 17.682 2.476 -19.262 1.00 74.42 H new ATOM 0 HA ALA A 33 16.724 5.230 -19.791 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.748 4.132 -20.798 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.252 3.684 -21.638 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.492 2.542 -20.504 1.00 44.12 H new ATOM 524 N VAL A 34 15.322 5.316 -17.776 1.00 63.33 N ATOM 525 CA VAL A 34 14.553 5.411 -16.540 1.00 45.44 C ATOM 526 C VAL A 34 13.058 5.489 -16.828 1.00 54.42 C ATOM 527 O VAL A 34 12.645 5.892 -17.916 1.00 75.20 O ATOM 528 CB VAL A 34 14.971 6.642 -15.714 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.407 6.554 -14.304 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.486 6.773 -15.684 1.00 72.31 C ATOM 0 H VAL A 34 15.528 6.213 -18.215 1.00 63.33 H new ATOM 0 HA VAL A 34 14.762 4.509 -15.966 1.00 45.44 H new ATOM 0 HB VAL A 34 14.562 7.534 -16.189 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.712 7.432 -13.735 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.319 6.511 -14.349 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.785 5.656 -13.816 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.764 7.648 -15.096 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.920 5.880 -15.233 1.00 72.31 H new ATOM 0 HG23 VAL A 34 16.862 6.885 -16.701 1.00 72.31 H new ATOM 540 N CYS A 35 12.251 5.104 -15.846 1.00 52.54 N ATOM 541 CA CYS A 35 10.800 5.129 -15.993 1.00 31.55 C ATOM 542 C CYS A 35 10.319 6.523 -16.386 1.00 12.13 C ATOM 543 O CYS A 35 10.195 7.409 -15.542 1.00 51.25 O ATOM 544 CB CYS A 35 10.127 4.692 -14.691 1.00 11.41 C ATOM 545 SG CYS A 35 10.676 3.082 -14.081 1.00 13.12 S ATOM 0 H CYS A 35 12.577 4.771 -14.939 1.00 52.54 H new ATOM 0 HA CYS A 35 10.527 4.432 -16.786 1.00 31.55 H new ATOM 0 HB2 CYS A 35 10.319 5.443 -13.925 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.048 4.662 -14.844 1.00 11.41 H new ATOM 0 HG CYS A 35 10.100 2.139 -14.766 1.00 13.12 H new ATOM 551 N GLY A 36 10.050 6.708 -17.675 1.00 33.13 N ATOM 552 CA GLY A 36 9.587 7.996 -18.159 1.00 22.01 C ATOM 553 C GLY A 36 10.706 8.829 -18.750 1.00 2.31 C ATOM 554 O GLY A 36 10.620 10.057 -18.790 1.00 12.12 O ATOM 0 H GLY A 36 10.144 5.989 -18.393 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.816 7.841 -18.914 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.124 8.544 -17.338 1.00 22.01 H new ATOM 558 N SER A 37 11.759 8.163 -19.210 1.00 14.13 N ATOM 559 CA SER A 37 12.903 8.850 -19.797 1.00 31.10 C ATOM 560 C SER A 37 12.773 8.921 -21.316 1.00 73.20 C ATOM 561 O SER A 37 11.855 8.344 -21.900 1.00 73.03 O ATOM 562 CB SER A 37 14.203 8.139 -19.418 1.00 61.42 C ATOM 563 OG SER A 37 14.715 8.630 -18.192 1.00 54.42 O ATOM 0 H SER A 37 11.844 7.147 -19.188 1.00 14.13 H new ATOM 0 HA SER A 37 12.926 9.866 -19.403 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.024 7.067 -19.337 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.942 8.281 -20.207 1.00 61.42 H new ATOM 0 HG SER A 37 15.618 8.278 -18.050 1.00 54.42 H new ATOM 569 N THR A 38 13.699 9.634 -21.950 1.00 25.44 N ATOM 570 CA THR A 38 13.688 9.782 -23.400 1.00 13.34 C ATOM 571 C THR A 38 15.066 9.507 -23.991 1.00 44.22 C ATOM 572 O THR A 38 16.088 9.797 -23.369 1.00 73.14 O ATOM 573 CB THR A 38 13.237 11.195 -23.817 1.00 44.44 C ATOM 574 OG1 THR A 38 12.333 11.728 -22.842 1.00 11.42 O ATOM 575 CG2 THR A 38 12.562 11.167 -25.180 1.00 11.40 C ATOM 0 H THR A 38 14.466 10.118 -21.482 1.00 25.44 H new ATOM 0 HA THR A 38 12.977 9.052 -23.787 1.00 13.34 H new ATOM 0 HB THR A 38 14.120 11.831 -23.879 1.00 44.44 H new ATOM 0 HG1 THR A 38 12.770 12.457 -22.354 1.00 11.42 H new ATOM 0 HG21 THR A 38 12.252 12.176 -25.453 1.00 11.40 H new ATOM 0 HG22 THR A 38 13.262 10.788 -25.925 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.688 10.517 -25.140 1.00 11.40 H new ATOM 583 N VAL A 39 15.086 8.946 -25.196 1.00 70.42 N ATOM 584 CA VAL A 39 16.340 8.633 -25.872 1.00 33.14 C ATOM 585 C VAL A 39 17.292 9.822 -25.843 1.00 42.12 C ATOM 586 O VAL A 39 18.378 9.749 -25.267 1.00 10.21 O ATOM 587 CB VAL A 39 16.100 8.217 -27.335 1.00 65.42 C ATOM 588 CG1 VAL A 39 15.979 6.705 -27.448 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.857 8.901 -27.886 1.00 35.23 C ATOM 0 H VAL A 39 14.249 8.699 -25.724 1.00 70.42 H new ATOM 0 HA VAL A 39 16.790 7.799 -25.334 1.00 33.14 H new ATOM 0 HB VAL A 39 16.957 8.535 -27.929 1.00 65.42 H new ATOM 0 HG11 VAL A 39 15.810 6.430 -28.489 1.00 4.01 H new ATOM 0 HG12 VAL A 39 16.899 6.239 -27.095 1.00 4.01 H new ATOM 0 HG13 VAL A 39 15.142 6.361 -26.841 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.702 8.596 -28.921 1.00 35.23 H new ATOM 0 HG22 VAL A 39 13.990 8.615 -27.290 1.00 35.23 H new ATOM 0 HG23 VAL A 39 14.987 9.982 -27.842 1.00 35.23 H new ATOM 599 N LEU A 40 16.878 10.920 -26.467 1.00 4.40 N ATOM 600 CA LEU A 40 17.694 12.128 -26.514 1.00 4.13 C ATOM 601 C LEU A 40 18.094 12.569 -25.109 1.00 3.52 C ATOM 602 O LEU A 40 19.178 13.115 -24.904 1.00 65.40 O ATOM 603 CB LEU A 40 16.934 13.254 -27.216 1.00 11.34 C ATOM 604 CG LEU A 40 15.445 13.366 -26.887 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.053 14.821 -26.680 1.00 31.55 C ATOM 606 CD2 LEU A 40 14.606 12.738 -27.990 1.00 22.30 C ATOM 0 H LEU A 40 15.982 10.998 -26.947 1.00 4.40 H new ATOM 0 HA LEU A 40 18.600 11.903 -27.077 1.00 4.13 H new ATOM 0 HB2 LEU A 40 17.413 14.200 -26.965 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.039 13.120 -28.293 1.00 11.34 H new ATOM 0 HG LEU A 40 15.255 12.824 -25.961 1.00 34.30 H new ATOM 0 HD11 LEU A 40 13.990 14.882 -26.447 1.00 31.55 H new ATOM 0 HD12 LEU A 40 15.630 15.239 -25.855 1.00 31.55 H new ATOM 0 HD13 LEU A 40 15.258 15.386 -27.589 1.00 31.55 H new ATOM 0 HD21 LEU A 40 13.549 12.827 -27.739 1.00 22.30 H new ATOM 0 HD22 LEU A 40 14.800 13.252 -28.932 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.867 11.685 -28.091 1.00 22.30 H new ATOM 618 N ASP A 41 17.213 12.326 -24.145 1.00 72.45 N ATOM 619 CA ASP A 41 17.475 12.695 -22.759 1.00 42.14 C ATOM 620 C ASP A 41 18.530 11.780 -22.143 1.00 25.23 C ATOM 621 O ASP A 41 19.246 12.173 -21.222 1.00 10.41 O ATOM 622 CB ASP A 41 16.185 12.630 -21.939 1.00 13.44 C ATOM 623 CG ASP A 41 15.182 13.688 -22.353 1.00 24.42 C ATOM 624 OD1 ASP A 41 15.530 14.536 -23.203 1.00 41.20 O ATOM 625 OD2 ASP A 41 14.049 13.668 -21.830 1.00 64.23 O1- ATOM 0 H ASP A 41 16.311 11.875 -24.298 1.00 72.45 H new ATOM 0 HA ASP A 41 17.854 13.717 -22.746 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.735 11.643 -22.052 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.423 12.753 -20.882 1.00 13.44 H new ATOM 630 N VAL A 42 18.621 10.559 -22.660 1.00 2.11 N ATOM 631 CA VAL A 42 19.587 9.588 -22.161 1.00 13.25 C ATOM 632 C VAL A 42 20.987 9.886 -22.687 1.00 11.24 C ATOM 633 O VAL A 42 21.965 9.836 -21.942 1.00 54.34 O ATOM 634 CB VAL A 42 19.197 8.152 -22.559 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.201 7.152 -22.003 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.790 7.830 -22.078 1.00 61.21 C ATOM 0 H VAL A 42 18.037 10.219 -23.424 1.00 2.11 H new ATOM 0 HA VAL A 42 19.584 9.669 -21.074 1.00 13.25 H new ATOM 0 HB VAL A 42 19.211 8.078 -23.646 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.909 6.143 -22.294 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.192 7.372 -22.400 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.222 7.224 -20.916 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.531 6.812 -22.368 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.747 7.921 -20.993 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.083 8.527 -22.529 1.00 61.21 H new ATOM 646 N ALA A 43 21.074 10.198 -23.976 1.00 21.42 N ATOM 647 CA ALA A 43 22.353 10.507 -24.602 1.00 20.42 C ATOM 648 C ALA A 43 23.094 11.594 -23.831 1.00 42.52 C ATOM 649 O ALA A 43 24.324 11.655 -23.849 1.00 14.32 O ATOM 650 CB ALA A 43 22.144 10.932 -26.048 1.00 62.22 C ATOM 0 H ALA A 43 20.274 10.243 -24.607 1.00 21.42 H new ATOM 0 HA ALA A 43 22.965 9.605 -24.585 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.108 11.160 -26.503 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.664 10.123 -26.599 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.510 11.818 -26.079 1.00 62.22 H new ATOM 656 N HIS A 44 22.337 12.452 -23.154 1.00 12.51 N ATOM 657 CA HIS A 44 22.922 13.539 -22.376 1.00 50.24 C ATOM 658 C HIS A 44 23.570 13.006 -21.101 1.00 54.31 C ATOM 659 O HIS A 44 24.590 13.524 -20.646 1.00 12.45 O ATOM 660 CB HIS A 44 21.855 14.575 -22.024 1.00 75.20 C ATOM 661 CG HIS A 44 22.416 15.846 -21.465 1.00 61.53 C ATOM 662 ND1 HIS A 44 23.566 16.437 -21.944 1.00 44.12 N ATOM 663 CD2 HIS A 44 21.976 16.641 -20.462 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.811 17.539 -21.259 1.00 32.52 C ATOM 665 NE2 HIS A 44 22.861 17.686 -20.353 1.00 53.52 N ATOM 0 H HIS A 44 21.318 12.416 -23.128 1.00 12.51 H new ATOM 0 HA HIS A 44 23.692 14.014 -22.984 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.275 14.806 -22.918 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.165 14.142 -21.299 1.00 75.20 H new ATOM 0 HD2 HIS A 44 21.094 16.483 -19.860 1.00 13.23 H new ATOM 0 HE1 HIS A 44 24.646 18.206 -21.413 1.00 32.52 H new ATOM 0 HE2 HIS A 44 22.795 18.451 -19.682 1.00 53.52 H new ATOM 673 N LYS A 45 22.970 11.968 -20.528 1.00 13.22 N ATOM 674 CA LYS A 45 23.487 11.364 -19.306 1.00 44.10 C ATOM 675 C LYS A 45 24.597 10.365 -19.620 1.00 71.53 C ATOM 676 O LYS A 45 25.605 10.302 -18.918 1.00 73.03 O ATOM 677 CB LYS A 45 22.361 10.666 -18.541 1.00 74.53 C ATOM 678 CG LYS A 45 21.046 11.427 -18.567 1.00 40.45 C ATOM 679 CD LYS A 45 21.210 12.842 -18.035 1.00 63.15 C ATOM 680 CE LYS A 45 20.324 13.089 -16.824 1.00 32.12 C ATOM 681 NZ LYS A 45 20.623 14.395 -16.175 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.125 11.527 -20.891 1.00 13.22 H new ATOM 0 HA LYS A 45 23.901 12.159 -18.686 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.206 9.674 -18.965 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.669 10.525 -17.505 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.665 11.463 -19.588 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.305 10.896 -17.969 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.252 13.012 -17.765 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.963 13.557 -18.819 1.00 63.15 H new ATOM 0 HE2 LYS A 45 19.278 13.066 -17.129 1.00 32.12 H new ATOM 0 HE3 LYS A 45 20.463 12.284 -16.102 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 19.998 14.526 -15.354 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 21.614 14.408 -15.861 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 20.466 15.165 -16.856 1.00 61.40 H new ATOM 695 N ASN A 46 24.404 9.587 -20.680 1.00 44.51 N ATOM 696 CA ASN A 46 25.388 8.591 -21.088 1.00 43.23 C ATOM 697 C ASN A 46 26.620 9.261 -21.691 1.00 15.11 C ATOM 698 O ASN A 46 27.720 8.713 -21.647 1.00 20.00 O ATOM 699 CB ASN A 46 24.775 7.621 -22.099 1.00 55.02 C ATOM 700 CG ASN A 46 24.224 6.372 -21.439 1.00 74.42 C ATOM 701 OD1 ASN A 46 23.016 6.241 -21.243 1.00 22.42 O ATOM 702 ND2 ASN A 46 25.111 5.445 -21.094 1.00 50.43 N ATOM 0 H ASN A 46 23.575 9.627 -21.272 1.00 44.51 H new ATOM 0 HA ASN A 46 25.694 8.035 -20.202 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.976 8.124 -22.643 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.531 7.338 -22.832 1.00 55.02 H new ATOM 0 HD21 ASN A 46 24.800 4.582 -20.647 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.103 5.596 -21.276 1.00 50.43 H new ATOM 709 N GLY A 47 26.425 10.449 -22.254 1.00 71.54 N ATOM 710 CA GLY A 47 27.528 11.174 -22.857 1.00 65.12 C ATOM 711 C GLY A 47 27.724 10.819 -24.318 1.00 62.25 C ATOM 712 O GLY A 47 28.601 11.369 -24.986 1.00 22.30 O ATOM 0 H GLY A 47 25.523 10.923 -22.303 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.347 12.245 -22.767 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.444 10.958 -22.308 1.00 65.12 H new ATOM 716 N VAL A 48 26.908 9.897 -24.817 1.00 31.22 N ATOM 717 CA VAL A 48 26.996 9.469 -26.208 1.00 41.02 C ATOM 718 C VAL A 48 26.926 10.662 -27.156 1.00 3.44 C ATOM 719 O VAL A 48 26.398 11.717 -26.804 1.00 22.32 O ATOM 720 CB VAL A 48 25.871 8.479 -26.563 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.632 9.225 -27.035 1.00 23.24 C ATOM 722 CG2 VAL A 48 26.345 7.493 -27.620 1.00 32.44 C ATOM 0 H VAL A 48 26.178 9.431 -24.278 1.00 31.22 H new ATOM 0 HA VAL A 48 27.959 8.971 -26.325 1.00 41.02 H new ATOM 0 HB VAL A 48 25.608 7.918 -25.667 1.00 34.34 H new ATOM 0 HG11 VAL A 48 23.848 8.509 -27.281 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.283 9.888 -26.243 1.00 23.24 H new ATOM 0 HG13 VAL A 48 24.877 9.814 -27.919 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.538 6.800 -27.859 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.636 8.036 -28.519 1.00 32.44 H new ATOM 0 HG23 VAL A 48 27.201 6.935 -27.240 1.00 32.44 H new ATOM 732 N ASP A 49 27.463 10.487 -28.358 1.00 40.14 N ATOM 733 CA ASP A 49 27.460 11.549 -29.358 1.00 14.22 C ATOM 734 C ASP A 49 26.057 11.764 -29.918 1.00 34.02 C ATOM 735 O ASP A 49 25.731 11.284 -31.004 1.00 75.21 O ATOM 736 CB ASP A 49 28.430 11.213 -30.492 1.00 52.55 C ATOM 737 CG ASP A 49 28.511 12.316 -31.529 1.00 23.12 C ATOM 738 OD1 ASP A 49 28.282 12.027 -32.722 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.805 13.468 -31.148 1.00 61.21 O1- ATOM 0 H ASP A 49 27.906 9.621 -28.664 1.00 40.14 H new ATOM 0 HA ASP A 49 27.784 12.471 -28.875 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.422 11.035 -30.077 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.115 10.287 -30.974 1.00 52.55 H new ATOM 744 N LEU A 50 25.231 12.488 -29.170 1.00 12.10 N ATOM 745 CA LEU A 50 23.863 12.765 -29.592 1.00 14.20 C ATOM 746 C LEU A 50 23.301 13.975 -28.851 1.00 31.24 C ATOM 747 O LEU A 50 23.632 14.212 -27.691 1.00 24.23 O ATOM 748 CB LEU A 50 22.975 11.544 -29.346 1.00 11.15 C ATOM 749 CG LEU A 50 22.553 10.760 -30.590 1.00 12.15 C ATOM 750 CD1 LEU A 50 23.377 9.489 -30.723 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.069 10.433 -30.535 1.00 5.33 C ATOM 0 H LEU A 50 25.485 12.893 -28.269 1.00 12.10 H new ATOM 0 HA LEU A 50 23.875 12.988 -30.659 1.00 14.20 H new ATOM 0 HB2 LEU A 50 23.502 10.866 -28.675 1.00 11.15 H new ATOM 0 HB3 LEU A 50 22.075 11.873 -28.826 1.00 11.15 H new ATOM 0 HG LEU A 50 22.735 11.380 -31.468 1.00 12.15 H new ATOM 0 HD11 LEU A 50 23.064 8.944 -31.613 1.00 70.43 H new ATOM 0 HD12 LEU A 50 24.433 9.747 -30.808 1.00 70.43 H new ATOM 0 HD13 LEU A 50 23.226 8.864 -29.843 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.786 9.875 -31.428 1.00 5.33 H new ATOM 0 HD22 LEU A 50 20.862 9.831 -29.650 1.00 5.33 H new ATOM 0 HD23 LEU A 50 20.494 11.358 -30.488 1.00 5.33 H new ATOM 763 N GLU A 51 22.447 14.735 -29.531 1.00 42.03 N ATOM 764 CA GLU A 51 21.838 15.918 -28.937 1.00 10.23 C ATOM 765 C GLU A 51 21.068 15.556 -27.670 1.00 13.54 C ATOM 766 O GLU A 51 20.413 14.518 -27.605 1.00 53.10 O ATOM 767 CB GLU A 51 20.902 16.595 -29.939 1.00 31.11 C ATOM 768 CG GLU A 51 19.892 15.648 -30.565 1.00 52.24 C ATOM 769 CD GLU A 51 20.213 15.325 -32.012 1.00 43.15 C ATOM 770 OE1 GLU A 51 20.066 16.223 -32.867 1.00 1.52 O ATOM 771 OE2 GLU A 51 20.611 14.174 -32.289 1.00 52.23 O1- ATOM 0 H GLU A 51 22.162 14.552 -30.493 1.00 42.03 H new ATOM 0 HA GLU A 51 22.636 16.611 -28.671 1.00 10.23 H new ATOM 0 HB2 GLU A 51 20.368 17.402 -29.437 1.00 31.11 H new ATOM 0 HB3 GLU A 51 21.498 17.051 -30.729 1.00 31.11 H new ATOM 0 HG2 GLU A 51 19.861 14.723 -29.989 1.00 52.24 H new ATOM 0 HG3 GLU A 51 18.899 16.093 -30.508 1.00 52.24 H new ATOM 778 N GLY A 52 21.156 16.421 -26.664 1.00 12.13 N ATOM 779 CA GLY A 52 20.464 16.175 -25.413 1.00 24.25 C ATOM 780 C GLY A 52 19.696 17.388 -24.926 1.00 2.30 C ATOM 781 O GLY A 52 20.027 18.522 -25.274 1.00 4.31 O ATOM 0 H GLY A 52 21.694 17.287 -26.693 1.00 12.13 H new ATOM 0 HA2 GLY A 52 19.775 15.340 -25.541 1.00 24.25 H new ATOM 0 HA3 GLY A 52 21.187 15.878 -24.654 1.00 24.25 H new ATOM 785 N ALA A 53 18.667 17.152 -24.119 1.00 52.12 N ATOM 786 CA ALA A 53 17.850 18.234 -23.584 1.00 33.42 C ATOM 787 C ALA A 53 17.217 19.049 -24.706 1.00 10.05 C ATOM 788 O ALA A 53 16.868 20.216 -24.519 1.00 55.30 O ATOM 789 CB ALA A 53 18.688 19.131 -22.684 1.00 50.15 C ATOM 0 H ALA A 53 18.379 16.220 -23.821 1.00 52.12 H new ATOM 0 HA ALA A 53 17.047 17.794 -22.993 1.00 33.42 H new ATOM 0 HB1 ALA A 53 18.066 19.935 -22.291 1.00 50.15 H new ATOM 0 HB2 ALA A 53 19.088 18.545 -21.857 1.00 50.15 H new ATOM 0 HB3 ALA A 53 19.511 19.557 -23.259 1.00 50.15 H new ATOM 795 N CYS A 54 17.071 18.429 -25.872 1.00 34.24 N ATOM 796 CA CYS A 54 16.479 19.097 -27.025 1.00 31.12 C ATOM 797 C CYS A 54 17.169 20.432 -27.293 1.00 14.45 C ATOM 798 O CYS A 54 16.513 21.463 -27.436 1.00 72.33 O ATOM 799 CB CYS A 54 14.983 19.320 -26.800 1.00 13.14 C ATOM 800 SG CYS A 54 14.019 19.503 -28.335 1.00 52.32 S ATOM 0 H CYS A 54 17.355 17.464 -26.044 1.00 34.24 H new ATOM 0 HA CYS A 54 16.616 18.455 -27.895 1.00 31.12 H new ATOM 0 HB2 CYS A 54 14.583 18.481 -26.230 1.00 13.14 H new ATOM 0 HB3 CYS A 54 14.847 20.213 -26.190 1.00 13.14 H new ATOM 805 N GLU A 55 18.496 20.403 -27.359 1.00 44.31 N ATOM 806 CA GLU A 55 19.274 21.611 -27.610 1.00 23.53 C ATOM 807 C GLU A 55 18.762 22.342 -28.847 1.00 64.25 C ATOM 808 O GLU A 55 18.598 21.746 -29.910 1.00 31.55 O ATOM 809 CB GLU A 55 20.754 21.263 -27.786 1.00 10.53 C ATOM 810 CG GLU A 55 21.625 22.463 -28.120 1.00 5.40 C ATOM 811 CD GLU A 55 23.091 22.221 -27.817 1.00 64.45 C ATOM 812 OE1 GLU A 55 23.880 23.185 -27.902 1.00 45.22 O ATOM 813 OE2 GLU A 55 23.449 21.070 -27.494 1.00 62.34 O1- ATOM 0 H GLU A 55 19.055 19.558 -27.242 1.00 44.31 H new ATOM 0 HA GLU A 55 19.162 22.269 -26.749 1.00 23.53 H new ATOM 0 HB2 GLU A 55 21.122 20.801 -26.870 1.00 10.53 H new ATOM 0 HB3 GLU A 55 20.853 20.521 -28.578 1.00 10.53 H new ATOM 0 HG2 GLU A 55 21.511 22.707 -29.176 1.00 5.40 H new ATOM 0 HG3 GLU A 55 21.279 23.328 -27.554 1.00 5.40 H new ATOM 820 N GLY A 56 18.510 23.639 -28.698 1.00 75.32 N ATOM 821 CA GLY A 56 18.017 24.431 -29.810 1.00 1.23 C ATOM 822 C GLY A 56 18.046 25.918 -29.520 1.00 63.33 C ATOM 823 O GLY A 56 17.160 26.444 -28.848 1.00 13.22 O ATOM 0 H GLY A 56 18.638 24.155 -27.828 1.00 75.32 H new ATOM 0 HA2 GLY A 56 18.620 24.225 -30.694 1.00 1.23 H new ATOM 0 HA3 GLY A 56 16.996 24.129 -30.043 1.00 1.23 H new ATOM 827 N ASN A 57 19.069 26.599 -30.027 1.00 3.24 N ATOM 828 CA ASN A 57 19.212 28.035 -29.817 1.00 41.34 C ATOM 829 C ASN A 57 17.954 28.777 -30.259 1.00 5.42 C ATOM 830 O ASN A 57 17.632 29.843 -29.734 1.00 72.25 O ATOM 831 CB ASN A 57 20.426 28.566 -30.582 1.00 73.33 C ATOM 832 CG ASN A 57 20.540 27.969 -31.970 1.00 30.11 C ATOM 833 OD1 ASN A 57 19.983 28.497 -32.933 1.00 73.05 O ATOM 834 ND2 ASN A 57 21.266 26.862 -32.081 1.00 42.23 N ATOM 0 H ASN A 57 19.811 26.179 -30.586 1.00 3.24 H new ATOM 0 HA ASN A 57 19.359 28.208 -28.751 1.00 41.34 H new ATOM 0 HB2 ASN A 57 20.356 29.651 -30.661 1.00 73.33 H new ATOM 0 HB3 ASN A 57 21.332 28.345 -30.019 1.00 73.33 H new ATOM 0 HD21 ASN A 57 21.379 26.416 -32.991 1.00 42.23 H new ATOM 0 HD22 ASN A 57 21.710 26.459 -31.256 1.00 42.23 H new ATOM 841 N LEU A 58 17.247 28.206 -31.228 1.00 4.42 N ATOM 842 CA LEU A 58 16.024 28.812 -31.741 1.00 41.34 C ATOM 843 C LEU A 58 14.856 27.833 -31.662 1.00 13.11 C ATOM 844 O LEU A 58 13.949 27.998 -30.847 1.00 5.40 O ATOM 845 CB LEU A 58 16.225 29.267 -33.188 1.00 23.44 C ATOM 846 CG LEU A 58 17.227 30.403 -33.400 1.00 3.22 C ATOM 847 CD1 LEU A 58 17.907 30.267 -34.754 1.00 33.31 C ATOM 848 CD2 LEU A 58 16.536 31.753 -33.281 1.00 72.14 C ATOM 0 H LEU A 58 17.500 27.324 -31.674 1.00 4.42 H new ATOM 0 HA LEU A 58 15.790 29.679 -31.123 1.00 41.34 H new ATOM 0 HB2 LEU A 58 16.549 28.409 -33.776 1.00 23.44 H new ATOM 0 HB3 LEU A 58 15.260 29.581 -33.587 1.00 23.44 H new ATOM 0 HG LEU A 58 17.990 30.339 -32.624 1.00 3.22 H new ATOM 0 HD11 LEU A 58 18.617 31.083 -34.888 1.00 33.31 H new ATOM 0 HD12 LEU A 58 18.436 29.315 -34.802 1.00 33.31 H new ATOM 0 HD13 LEU A 58 17.156 30.305 -35.544 1.00 33.31 H new ATOM 0 HD21 LEU A 58 17.264 32.549 -33.435 1.00 72.14 H new ATOM 0 HD22 LEU A 58 15.752 31.828 -34.034 1.00 72.14 H new ATOM 0 HD23 LEU A 58 16.096 31.850 -32.288 1.00 72.14 H new ATOM 860 N ALA A 59 14.887 26.813 -32.514 1.00 41.33 N ATOM 861 CA ALA A 59 13.834 25.806 -32.538 1.00 2.32 C ATOM 862 C ALA A 59 14.358 24.477 -33.072 1.00 51.33 C ATOM 863 O ALA A 59 15.545 24.339 -33.364 1.00 34.41 O ATOM 864 CB ALA A 59 12.660 26.289 -33.376 1.00 14.22 C ATOM 0 H ALA A 59 15.630 26.663 -33.196 1.00 41.33 H new ATOM 0 HA ALA A 59 13.493 25.647 -31.515 1.00 2.32 H new ATOM 0 HB1 ALA A 59 11.881 25.526 -33.385 1.00 14.22 H new ATOM 0 HB2 ALA A 59 12.262 27.209 -32.948 1.00 14.22 H new ATOM 0 HB3 ALA A 59 12.994 26.478 -34.396 1.00 14.22 H new ATOM 870 N CYS A 60 13.464 23.501 -33.198 1.00 2.12 N ATOM 871 CA CYS A 60 13.835 22.183 -33.696 1.00 54.43 C ATOM 872 C CYS A 60 13.012 21.814 -34.927 1.00 5.00 C ATOM 873 O CYS A 60 11.793 21.655 -34.846 1.00 74.54 O ATOM 874 CB CYS A 60 13.641 21.129 -32.604 1.00 24.54 C ATOM 875 SG CYS A 60 15.034 21.001 -31.437 1.00 11.23 S ATOM 0 H CYS A 60 12.477 23.599 -32.962 1.00 2.12 H new ATOM 0 HA CYS A 60 14.887 22.213 -33.980 1.00 54.43 H new ATOM 0 HB2 CYS A 60 12.734 21.362 -32.046 1.00 24.54 H new ATOM 0 HB3 CYS A 60 13.485 20.158 -33.075 1.00 24.54 H new ATOM 880 N SER A 61 13.684 21.683 -36.065 1.00 41.10 N ATOM 881 CA SER A 61 13.015 21.337 -37.313 1.00 5.01 C ATOM 882 C SER A 61 12.543 19.887 -37.293 1.00 10.13 C ATOM 883 O SER A 61 11.345 19.609 -37.370 1.00 62.51 O ATOM 884 CB SER A 61 13.955 21.563 -38.499 1.00 20.22 C ATOM 885 OG SER A 61 14.316 22.928 -38.612 1.00 65.32 O ATOM 0 H SER A 61 14.692 21.811 -36.149 1.00 41.10 H new ATOM 0 HA SER A 61 12.143 21.983 -37.420 1.00 5.01 H new ATOM 0 HB2 SER A 61 14.852 20.956 -38.377 1.00 20.22 H new ATOM 0 HB3 SER A 61 13.470 21.235 -39.419 1.00 20.22 H new ATOM 0 HG SER A 61 14.918 23.045 -39.376 1.00 65.32 H new ATOM 891 N THR A 62 13.493 18.963 -37.188 1.00 5.34 N ATOM 892 CA THR A 62 13.176 17.540 -37.158 1.00 25.42 C ATOM 893 C THR A 62 14.407 16.710 -36.815 1.00 13.55 C ATOM 894 O THR A 62 15.540 17.149 -37.010 1.00 62.32 O ATOM 895 CB THR A 62 12.609 17.063 -38.509 1.00 15.43 C ATOM 896 OG1 THR A 62 12.352 15.655 -38.463 1.00 10.45 O ATOM 897 CG2 THR A 62 13.578 17.369 -39.642 1.00 33.53 C ATOM 0 H THR A 62 14.489 19.175 -37.122 1.00 5.34 H new ATOM 0 HA THR A 62 12.420 17.400 -36.385 1.00 25.42 H new ATOM 0 HB THR A 62 11.677 17.597 -38.695 1.00 15.43 H new ATOM 0 HG1 THR A 62 12.486 15.269 -39.354 1.00 10.45 H new ATOM 0 HG21 THR A 62 13.156 17.023 -40.585 1.00 33.53 H new ATOM 0 HG22 THR A 62 13.749 18.444 -39.694 1.00 33.53 H new ATOM 0 HG23 THR A 62 14.524 16.859 -39.459 1.00 33.53 H new ATOM 905 N CYS A 63 14.179 15.505 -36.302 1.00 12.42 N ATOM 906 CA CYS A 63 15.269 14.612 -35.931 1.00 3.52 C ATOM 907 C CYS A 63 15.096 13.242 -36.582 1.00 2.45 C ATOM 908 O CYS A 63 14.341 12.401 -36.093 1.00 4.13 O ATOM 909 CB CYS A 63 15.337 14.460 -34.410 1.00 25.53 C ATOM 910 SG CYS A 63 15.442 16.040 -33.510 1.00 22.10 S ATOM 0 H CYS A 63 13.248 15.125 -36.134 1.00 12.42 H new ATOM 0 HA CYS A 63 16.201 15.050 -36.288 1.00 3.52 H new ATOM 0 HB2 CYS A 63 14.455 13.918 -34.070 1.00 25.53 H new ATOM 0 HB3 CYS A 63 16.204 13.850 -34.155 1.00 25.53 H new ATOM 915 N HIS A 64 15.800 13.026 -37.688 1.00 63.44 N ATOM 916 CA HIS A 64 15.725 11.759 -38.406 1.00 3.42 C ATOM 917 C HIS A 64 16.844 10.819 -37.968 1.00 30.22 C ATOM 918 O HIS A 64 18.021 11.071 -38.232 1.00 61.33 O ATOM 919 CB HIS A 64 15.806 11.998 -39.915 1.00 52.43 C ATOM 920 CG HIS A 64 14.825 13.012 -40.414 1.00 13.30 C ATOM 921 ND1 HIS A 64 15.155 13.999 -41.319 1.00 62.35 N ATOM 922 CD2 HIS A 64 13.513 13.191 -40.130 1.00 65.44 C ATOM 923 CE1 HIS A 64 14.091 14.739 -41.569 1.00 13.15 C ATOM 924 NE2 HIS A 64 13.081 14.270 -40.860 1.00 23.12 N ATOM 0 H HIS A 64 16.429 13.712 -38.107 1.00 63.44 H new ATOM 0 HA HIS A 64 14.769 11.292 -38.170 1.00 3.42 H new ATOM 0 HB2 HIS A 64 16.814 12.324 -40.169 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.636 11.054 -40.434 1.00 52.43 H new ATOM 0 HD1 HIS A 64 16.078 14.136 -41.731 1.00 62.35 H new ATOM 0 HD2 HIS A 64 12.917 12.595 -39.454 1.00 65.44 H new ATOM 0 HE1 HIS A 64 14.053 15.585 -42.240 1.00 13.15 H new ATOM 932 N VAL A 65 16.471 9.735 -37.296 1.00 61.11 N ATOM 933 CA VAL A 65 17.443 8.757 -36.820 1.00 32.34 C ATOM 934 C VAL A 65 17.055 7.346 -37.247 1.00 22.50 C ATOM 935 O VAL A 65 15.889 7.070 -37.528 1.00 34.33 O ATOM 936 CB VAL A 65 17.577 8.799 -35.287 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.813 8.033 -34.838 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.624 10.238 -34.796 1.00 23.01 C ATOM 0 H VAL A 65 15.502 9.511 -37.069 1.00 61.11 H new ATOM 0 HA VAL A 65 18.402 9.019 -37.268 1.00 32.34 H new ATOM 0 HB VAL A 65 16.702 8.318 -34.849 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.891 8.074 -33.752 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.733 6.994 -35.158 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.701 8.482 -35.283 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.719 10.249 -33.710 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.480 10.746 -35.240 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.707 10.751 -35.085 1.00 23.01 H new ATOM 948 N ILE A 66 18.041 6.456 -37.293 1.00 21.12 N ATOM 949 CA ILE A 66 17.804 5.073 -37.684 1.00 32.41 C ATOM 950 C ILE A 66 17.471 4.208 -36.472 1.00 54.10 C ATOM 951 O ILE A 66 18.153 4.267 -35.447 1.00 14.31 O ATOM 952 CB ILE A 66 19.025 4.474 -38.407 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.312 5.249 -39.694 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.792 3.002 -38.709 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.498 4.716 -40.468 1.00 62.21 C ATOM 0 H ILE A 66 19.012 6.669 -37.064 1.00 21.12 H new ATOM 0 HA ILE A 66 16.955 5.080 -38.367 1.00 32.41 H new ATOM 0 HB ILE A 66 19.893 4.557 -37.753 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.429 5.218 -40.332 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.490 6.295 -39.446 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.664 2.593 -39.220 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.631 2.460 -37.777 1.00 64.43 H new ATOM 0 HG23 ILE A 66 17.915 2.896 -39.347 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.643 5.313 -41.368 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.392 4.772 -39.847 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.314 3.678 -40.747 1.00 62.21 H new ATOM 967 N LEU A 67 16.420 3.405 -36.596 1.00 62.31 N ATOM 968 CA LEU A 67 15.997 2.526 -35.511 1.00 64.04 C ATOM 969 C LEU A 67 15.904 1.080 -35.987 1.00 12.11 C ATOM 970 O LEU A 67 15.796 0.817 -37.185 1.00 61.41 O ATOM 971 CB LEU A 67 14.645 2.981 -34.958 1.00 53.02 C ATOM 972 CG LEU A 67 14.135 2.227 -33.729 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.156 2.289 -32.603 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.799 2.794 -33.273 1.00 10.33 C ATOM 0 H LEU A 67 15.845 3.344 -37.436 1.00 62.31 H new ATOM 0 HA LEU A 67 16.744 2.581 -34.719 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.715 4.039 -34.707 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.902 2.890 -35.750 1.00 53.02 H new ATOM 0 HG LEU A 67 13.989 1.182 -34.002 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.776 1.747 -31.737 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.090 1.835 -32.934 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.334 3.329 -32.331 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.451 2.246 -32.398 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.919 3.847 -33.018 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.069 2.696 -34.076 1.00 10.33 H new ATOM 986 N GLU A 68 15.944 0.147 -35.042 1.00 71.02 N ATOM 987 CA GLU A 68 15.863 -1.273 -35.365 1.00 2.24 C ATOM 988 C GLU A 68 14.812 -1.525 -36.443 1.00 45.14 C ATOM 989 O GLU A 68 13.760 -0.888 -36.459 1.00 70.41 O ATOM 990 CB GLU A 68 15.531 -2.086 -34.113 1.00 2.12 C ATOM 991 CG GLU A 68 16.593 -3.111 -33.753 1.00 61.11 C ATOM 992 CD GLU A 68 16.085 -4.537 -33.850 1.00 60.41 C ATOM 993 OE1 GLU A 68 15.334 -4.961 -32.947 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.439 -5.227 -34.829 1.00 54.52 O1- ATOM 0 H GLU A 68 16.032 0.348 -34.046 1.00 71.02 H new ATOM 0 HA GLU A 68 16.834 -1.589 -35.746 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.396 -1.405 -33.273 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.581 -2.598 -34.264 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.450 -2.989 -34.416 1.00 61.11 H new ATOM 0 HG3 GLU A 68 16.945 -2.923 -32.739 1.00 61.11 H new ATOM 1001 N GLU A 69 15.107 -2.460 -37.341 1.00 22.44 N ATOM 1002 CA GLU A 69 14.188 -2.796 -38.421 1.00 73.04 C ATOM 1003 C GLU A 69 12.855 -3.292 -37.869 1.00 43.43 C ATOM 1004 O GLU A 69 11.794 -2.728 -38.139 1.00 23.14 O ATOM 1005 CB GLU A 69 14.803 -3.863 -39.330 1.00 71.35 C ATOM 1006 CG GLU A 69 15.246 -3.328 -40.682 1.00 42.54 C ATOM 1007 CD GLU A 69 16.403 -4.114 -41.270 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.209 -5.305 -41.590 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.502 -3.536 -41.408 1.00 42.34 O1- ATOM 0 H GLU A 69 15.974 -2.997 -37.342 1.00 22.44 H new ATOM 0 HA GLU A 69 14.007 -1.892 -39.002 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.661 -4.308 -38.826 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.076 -4.660 -39.484 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.404 -3.356 -41.373 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.538 -2.283 -40.577 1.00 42.54 H new ATOM 1016 N PRO A 70 12.908 -4.371 -37.076 1.00 54.22 N ATOM 1017 CA PRO A 70 11.715 -4.968 -36.469 1.00 20.10 C ATOM 1018 C PRO A 70 11.112 -4.081 -35.384 1.00 1.22 C ATOM 1019 O PRO A 70 9.902 -3.847 -35.360 1.00 33.25 O ATOM 1020 CB PRO A 70 12.238 -6.272 -35.862 1.00 54.11 C ATOM 1021 CG PRO A 70 13.686 -6.021 -35.615 1.00 53.54 C ATOM 1022 CD PRO A 70 14.138 -5.095 -36.712 1.00 23.21 C ATOM 0 HA PRO A 70 10.917 -5.112 -37.197 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.715 -6.516 -34.937 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.092 -7.112 -36.542 1.00 54.11 H new ATOM 0 HG2 PRO A 70 13.843 -5.571 -34.635 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.252 -6.952 -35.632 1.00 53.54 H new ATOM 0 HD2 PRO A 70 14.918 -4.415 -36.368 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.546 -5.645 -37.560 1.00 23.21 H new ATOM 1030 N LEU A 71 11.961 -3.589 -34.489 1.00 73.21 N ATOM 1031 CA LEU A 71 11.512 -2.727 -33.402 1.00 71.13 C ATOM 1032 C LEU A 71 10.706 -1.548 -33.938 1.00 14.24 C ATOM 1033 O LEU A 71 9.597 -1.281 -33.478 1.00 22.31 O ATOM 1034 CB LEU A 71 12.712 -2.216 -32.601 1.00 11.33 C ATOM 1035 CG LEU A 71 12.413 -1.722 -31.185 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.461 -2.876 -30.196 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.395 -0.631 -30.782 1.00 52.41 C ATOM 0 H LEU A 71 12.964 -3.772 -34.495 1.00 73.21 H new ATOM 0 HA LEU A 71 10.869 -3.315 -32.748 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.448 -3.017 -32.537 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.175 -1.402 -33.158 1.00 11.33 H new ATOM 0 HG LEU A 71 11.408 -1.301 -31.173 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.246 -2.505 -29.194 1.00 70.15 H new ATOM 0 HD12 LEU A 71 11.718 -3.624 -30.473 1.00 70.15 H new ATOM 0 HD13 LEU A 71 13.453 -3.327 -30.211 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.167 -0.291 -29.772 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.410 -1.026 -30.812 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.312 0.207 -31.474 1.00 52.41 H new ATOM 1049 N TYR A 72 11.271 -0.848 -34.915 1.00 23.13 N ATOM 1050 CA TYR A 72 10.606 0.302 -35.516 1.00 72.33 C ATOM 1051 C TYR A 72 9.316 -0.118 -36.215 1.00 64.33 C ATOM 1052 O TYR A 72 8.245 0.427 -35.947 1.00 54.01 O ATOM 1053 CB TYR A 72 11.537 0.995 -36.512 1.00 62.53 C ATOM 1054 CG TYR A 72 10.956 2.258 -37.106 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.044 2.202 -38.152 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.321 3.508 -36.621 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.512 3.354 -38.698 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.793 4.666 -37.160 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.889 4.584 -38.198 1.00 14.41 C ATOM 1060 OH TYR A 72 9.361 5.734 -38.739 1.00 23.11 O ATOM 0 H TYR A 72 12.189 -1.057 -35.308 1.00 23.13 H new ATOM 0 HA TYR A 72 10.355 1.001 -34.718 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.475 1.237 -36.012 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.775 0.301 -37.318 1.00 62.53 H new ATOM 0 HD1 TYR A 72 9.746 1.241 -38.545 1.00 13.23 H new ATOM 0 HD2 TYR A 72 12.030 3.576 -35.809 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.805 3.293 -39.512 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.087 5.630 -36.770 1.00 12.54 H new ATOM 0 HH TYR A 72 9.880 5.992 -39.529 1.00 23.11 H new ATOM 1070 N ARG A 73 9.428 -1.093 -37.111 1.00 65.44 N ATOM 1071 CA ARG A 73 8.272 -1.587 -37.851 1.00 14.13 C ATOM 1072 C ARG A 73 7.159 -2.013 -36.897 1.00 11.43 C ATOM 1073 O ARG A 73 5.975 -1.906 -37.220 1.00 2.21 O ATOM 1074 CB ARG A 73 8.675 -2.766 -38.739 1.00 24.52 C ATOM 1075 CG ARG A 73 7.825 -2.900 -39.992 1.00 20.20 C ATOM 1076 CD ARG A 73 6.570 -3.717 -39.729 1.00 62.31 C ATOM 1077 NE ARG A 73 6.747 -5.122 -40.084 1.00 14.20 N ATOM 1078 CZ ARG A 73 6.886 -5.553 -41.333 1.00 65.04 C ATOM 1079 NH1 ARG A 73 6.869 -4.691 -42.342 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 7.042 -6.848 -41.577 1.00 13.35 N ATOM 0 H ARG A 73 10.307 -1.557 -37.342 1.00 65.44 H new ATOM 0 HA ARG A 73 7.900 -0.778 -38.479 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.720 -2.652 -39.029 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.603 -3.687 -38.161 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.547 -1.909 -40.352 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.410 -3.373 -40.781 1.00 20.20 H new ATOM 0 HD2 ARG A 73 6.302 -3.640 -38.675 1.00 62.31 H new ATOM 0 HD3 ARG A 73 5.740 -3.301 -40.300 1.00 62.31 H new ATOM 0 HE ARG A 73 6.765 -5.811 -39.332 1.00 14.20 H new ATOM 0 HH11 ARG A 73 6.749 -3.695 -42.160 1.00 12.32 H new ATOM 0 HH12 ARG A 73 6.976 -5.025 -43.300 1.00 12.32 H new ATOM 0 HH21 ARG A 73 7.055 -7.514 -40.805 1.00 13.35 H new ATOM 0 HH22 ARG A 73 7.149 -7.177 -42.537 1.00 13.35 H new ATOM 1094 N LYS A 74 7.546 -2.495 -35.722 1.00 33.12 N ATOM 1095 CA LYS A 74 6.583 -2.937 -34.720 1.00 31.02 C ATOM 1096 C LYS A 74 5.848 -1.747 -34.110 1.00 63.21 C ATOM 1097 O LYS A 74 4.618 -1.703 -34.099 1.00 75.00 O ATOM 1098 CB LYS A 74 7.288 -3.733 -33.620 1.00 65.31 C ATOM 1099 CG LYS A 74 7.456 -5.206 -33.948 1.00 40.52 C ATOM 1100 CD LYS A 74 7.369 -6.069 -32.700 1.00 34.44 C ATOM 1101 CE LYS A 74 6.834 -7.457 -33.017 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.322 -8.146 -31.801 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.521 -2.590 -35.439 1.00 33.12 H new ATOM 0 HA LYS A 74 5.853 -3.579 -35.213 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.270 -3.295 -33.439 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.721 -3.638 -32.694 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.687 -5.512 -34.657 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.419 -5.364 -34.434 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.356 -6.154 -32.246 1.00 34.44 H new ATOM 0 HD3 LYS A 74 6.721 -5.587 -31.968 1.00 34.44 H new ATOM 0 HE2 LYS A 74 6.034 -7.378 -33.753 1.00 41.15 H new ATOM 0 HE3 LYS A 74 7.625 -8.057 -33.468 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.967 -9.088 -32.060 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 7.091 -8.244 -31.108 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 5.550 -7.587 -31.384 1.00 30.01 H new ATOM 1116 N LEU A 75 6.611 -0.783 -33.606 1.00 52.50 N ATOM 1117 CA LEU A 75 6.032 0.409 -32.994 1.00 65.55 C ATOM 1118 C LEU A 75 5.237 1.213 -34.018 1.00 75.21 C ATOM 1119 O LEU A 75 4.341 1.978 -33.661 1.00 64.44 O ATOM 1120 CB LEU A 75 7.134 1.281 -32.388 1.00 21.23 C ATOM 1121 CG LEU A 75 8.039 0.600 -31.361 1.00 41.12 C ATOM 1122 CD1 LEU A 75 8.592 1.620 -30.377 1.00 62.14 C ATOM 1123 CD2 LEU A 75 7.282 -0.497 -30.626 1.00 51.32 C ATOM 0 H LEU A 75 7.631 -0.803 -33.609 1.00 52.50 H new ATOM 0 HA LEU A 75 5.354 0.090 -32.203 1.00 65.55 H new ATOM 0 HB2 LEU A 75 7.758 1.659 -33.198 1.00 21.23 H new ATOM 0 HB3 LEU A 75 6.667 2.145 -31.915 1.00 21.23 H new ATOM 0 HG LEU A 75 8.876 0.144 -31.889 1.00 41.12 H new ATOM 0 HD11 LEU A 75 9.234 1.117 -29.654 1.00 62.14 H new ATOM 0 HD12 LEU A 75 9.171 2.369 -30.917 1.00 62.14 H new ATOM 0 HD13 LEU A 75 7.768 2.106 -29.855 1.00 62.14 H new ATOM 0 HD21 LEU A 75 7.942 -0.970 -29.899 1.00 51.32 H new ATOM 0 HD22 LEU A 75 6.425 -0.065 -30.110 1.00 51.32 H new ATOM 0 HD23 LEU A 75 6.936 -1.243 -31.342 1.00 51.32 H new ATOM 1135 N GLY A 76 5.570 1.035 -35.293 1.00 21.42 N ATOM 1136 CA GLY A 76 4.876 1.749 -36.348 1.00 10.52 C ATOM 1137 C GLY A 76 5.754 1.988 -37.561 1.00 14.51 C ATOM 1138 O GLY A 76 6.966 2.154 -37.433 1.00 71.33 O ATOM 0 H GLY A 76 6.308 0.409 -35.614 1.00 21.42 H new ATOM 0 HA2 GLY A 76 3.995 1.182 -36.647 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.524 2.706 -35.964 1.00 10.52 H new ATOM 1142 N GLU A 77 5.140 2.005 -38.740 1.00 31.22 N ATOM 1143 CA GLU A 77 5.876 2.223 -39.980 1.00 3.31 C ATOM 1144 C GLU A 77 5.167 3.250 -40.859 1.00 55.51 C ATOM 1145 O GLU A 77 3.964 3.483 -40.738 1.00 65.31 O ATOM 1146 CB GLU A 77 6.036 0.906 -40.743 1.00 60.22 C ATOM 1147 CG GLU A 77 4.786 0.043 -40.736 1.00 64.43 C ATOM 1148 CD GLU A 77 3.609 0.717 -41.417 1.00 52.41 C ATOM 1149 OE1 GLU A 77 3.643 0.856 -42.657 1.00 31.24 O ATOM 1150 OE2 GLU A 77 2.656 1.104 -40.710 1.00 22.41 O1- ATOM 0 H GLU A 77 4.136 1.871 -38.863 1.00 31.22 H new ATOM 0 HA GLU A 77 6.863 2.608 -39.724 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.310 1.125 -41.775 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.860 0.341 -40.307 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.998 -0.902 -41.236 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.518 -0.194 -39.706 1.00 64.43 H new ATOM 1157 N PRO A 78 5.930 3.879 -41.765 1.00 13.34 N ATOM 1158 CA PRO A 78 5.397 4.891 -42.682 1.00 21.23 C ATOM 1159 C PRO A 78 4.472 4.290 -43.734 1.00 62.01 C ATOM 1160 O PRO A 78 4.445 3.074 -43.930 1.00 42.25 O ATOM 1161 CB PRO A 78 6.652 5.468 -43.341 1.00 40.44 C ATOM 1162 CG PRO A 78 7.664 4.379 -43.247 1.00 2.43 C ATOM 1163 CD PRO A 78 7.370 3.651 -41.964 1.00 41.44 C ATOM 0 HA PRO A 78 4.792 5.634 -42.162 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.463 5.744 -44.378 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.990 6.368 -42.828 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.594 3.707 -44.102 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.675 4.785 -43.242 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.602 2.589 -42.043 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.958 4.045 -41.135 1.00 41.44 H new ATOM 1171 N SER A 79 3.715 5.148 -44.411 1.00 1.54 N ATOM 1172 CA SER A 79 2.785 4.701 -45.440 1.00 22.12 C ATOM 1173 C SER A 79 3.437 4.750 -46.820 1.00 55.34 C ATOM 1174 O SER A 79 4.643 4.968 -46.940 1.00 42.34 O ATOM 1175 CB SER A 79 1.523 5.566 -45.430 1.00 75.41 C ATOM 1176 OG SER A 79 1.198 5.977 -44.114 1.00 71.31 O ATOM 0 H SER A 79 3.728 6.157 -44.265 1.00 1.54 H new ATOM 0 HA SER A 79 2.511 3.669 -45.222 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.673 6.442 -46.061 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.691 5.006 -45.855 1.00 75.41 H new ATOM 0 HG SER A 79 0.389 6.530 -44.134 1.00 71.31 H new ATOM 1182 N ASP A 80 2.632 4.545 -47.855 1.00 2.42 N ATOM 1183 CA ASP A 80 3.129 4.567 -49.227 1.00 64.33 C ATOM 1184 C ASP A 80 3.810 5.896 -49.536 1.00 41.21 C ATOM 1185 O ASP A 80 4.891 5.930 -50.125 1.00 61.31 O ATOM 1186 CB ASP A 80 1.983 4.325 -50.211 1.00 42.53 C ATOM 1187 CG ASP A 80 0.891 5.371 -50.098 1.00 72.41 C ATOM 1188 OD1 ASP A 80 0.758 6.192 -51.028 1.00 61.52 O ATOM 1189 OD2 ASP A 80 0.171 5.368 -49.077 1.00 62.51 O1- ATOM 0 H ASP A 80 1.632 4.362 -47.772 1.00 2.42 H new ATOM 0 HA ASP A 80 3.864 3.769 -49.335 1.00 64.33 H new ATOM 0 HB2 ASP A 80 2.376 4.323 -51.228 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.556 3.338 -50.032 1.00 42.53 H new ATOM 1194 N LYS A 81 3.170 6.990 -49.138 1.00 63.24 N ATOM 1195 CA LYS A 81 3.713 8.323 -49.372 1.00 42.30 C ATOM 1196 C LYS A 81 5.135 8.434 -48.830 1.00 52.43 C ATOM 1197 O LYS A 81 6.073 8.709 -49.577 1.00 13.12 O ATOM 1198 CB LYS A 81 2.822 9.381 -48.718 1.00 24.44 C ATOM 1199 CG LYS A 81 2.828 10.715 -49.445 1.00 13.30 C ATOM 1200 CD LYS A 81 1.772 11.657 -48.891 1.00 11.42 C ATOM 1201 CE LYS A 81 2.188 12.229 -47.544 1.00 51.52 C ATOM 1202 NZ LYS A 81 1.575 13.563 -47.295 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.274 6.980 -48.651 1.00 63.24 H new ATOM 0 HA LYS A 81 3.739 8.494 -50.448 1.00 42.30 H new ATOM 0 HB2 LYS A 81 1.800 9.006 -48.673 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.150 9.535 -47.690 1.00 24.44 H new ATOM 0 HG2 LYS A 81 3.812 11.176 -49.354 1.00 13.30 H new ATOM 0 HG3 LYS A 81 2.650 10.552 -50.508 1.00 13.30 H new ATOM 0 HD2 LYS A 81 1.602 12.470 -49.596 1.00 11.42 H new ATOM 0 HD3 LYS A 81 0.827 11.124 -48.785 1.00 11.42 H new ATOM 0 HE2 LYS A 81 1.895 11.541 -46.751 1.00 51.52 H new ATOM 0 HE3 LYS A 81 3.274 12.315 -47.506 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 1.883 13.919 -46.368 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 1.875 14.227 -48.037 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 0.539 13.476 -47.306 1.00 62.13 H new ATOM 1216 N GLU A 82 5.284 8.217 -47.527 1.00 13.40 N ATOM 1217 CA GLU A 82 6.592 8.294 -46.887 1.00 22.15 C ATOM 1218 C GLU A 82 7.537 7.238 -47.453 1.00 24.23 C ATOM 1219 O GLU A 82 8.752 7.435 -47.497 1.00 2.21 O ATOM 1220 CB GLU A 82 6.455 8.112 -45.374 1.00 53.12 C ATOM 1221 CG GLU A 82 6.443 9.421 -44.602 1.00 71.53 C ATOM 1222 CD GLU A 82 5.096 10.115 -44.654 1.00 12.30 C ATOM 1223 OE1 GLU A 82 4.076 9.451 -44.372 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.060 11.322 -44.974 1.00 32.01 O1- ATOM 0 H GLU A 82 4.517 7.987 -46.895 1.00 13.40 H new ATOM 0 HA GLU A 82 7.011 9.279 -47.091 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.534 7.568 -45.164 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.279 7.496 -45.015 1.00 53.12 H new ATOM 0 HG2 GLU A 82 6.709 9.228 -43.563 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.206 10.085 -45.008 1.00 71.53 H new ATOM 1231 N TYR A 83 6.972 6.116 -47.885 1.00 32.52 N ATOM 1232 CA TYR A 83 7.763 5.027 -48.444 1.00 21.41 C ATOM 1233 C TYR A 83 8.523 5.487 -49.684 1.00 74.33 C ATOM 1234 O TYR A 83 9.743 5.340 -49.768 1.00 30.25 O ATOM 1235 CB TYR A 83 6.861 3.842 -48.797 1.00 60.15 C ATOM 1236 CG TYR A 83 7.026 2.659 -47.869 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.839 2.795 -46.499 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.366 1.407 -48.363 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.989 1.717 -45.648 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.517 0.322 -47.520 1.00 71.42 C ATOM 1241 CZ TYR A 83 7.327 0.483 -46.163 1.00 11.20 C ATOM 1242 OH TYR A 83 7.478 -0.594 -45.320 1.00 41.13 O ATOM 0 H TYR A 83 5.968 5.937 -47.859 1.00 32.52 H new ATOM 0 HA TYR A 83 8.486 4.714 -47.691 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.821 4.168 -48.775 1.00 60.15 H new ATOM 0 HB3 TYR A 83 7.074 3.525 -49.818 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.572 3.759 -46.093 1.00 33.43 H new ATOM 0 HD2 TYR A 83 7.515 1.278 -49.425 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.842 1.840 -44.585 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.782 -0.645 -47.921 1.00 71.42 H new ATOM 0 HH TYR A 83 7.716 -1.388 -45.843 1.00 41.13 H new ATOM 1252 N ASP A 84 7.794 6.047 -50.644 1.00 24.14 N ATOM 1253 CA ASP A 84 8.398 6.531 -51.878 1.00 41.30 C ATOM 1254 C ASP A 84 9.285 7.743 -51.611 1.00 24.23 C ATOM 1255 O ASP A 84 10.373 7.867 -52.174 1.00 11.41 O ATOM 1256 CB ASP A 84 7.314 6.893 -52.894 1.00 33.25 C ATOM 1257 CG ASP A 84 7.728 6.583 -54.320 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.739 7.516 -55.150 1.00 71.12 O ATOM 1259 OD2 ASP A 84 8.043 5.409 -54.603 1.00 45.14 O1- ATOM 0 H ASP A 84 6.784 6.176 -50.590 1.00 24.14 H new ATOM 0 HA ASP A 84 9.017 5.733 -52.287 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.401 6.346 -52.657 1.00 33.25 H new ATOM 0 HB3 ASP A 84 7.081 7.954 -52.809 1.00 33.25 H new ATOM 1264 N LEU A 85 8.813 8.636 -50.747 1.00 20.31 N ATOM 1265 CA LEU A 85 9.563 9.839 -50.404 1.00 5.33 C ATOM 1266 C LEU A 85 10.971 9.488 -49.934 1.00 63.15 C ATOM 1267 O LEU A 85 11.957 10.029 -50.437 1.00 64.22 O ATOM 1268 CB LEU A 85 8.831 10.628 -49.317 1.00 32.10 C ATOM 1269 CG LEU A 85 9.352 12.040 -49.045 1.00 40.23 C ATOM 1270 CD1 LEU A 85 9.057 12.955 -50.223 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.741 12.597 -47.767 1.00 5.43 C ATOM 0 H LEU A 85 7.915 8.549 -50.272 1.00 20.31 H new ATOM 0 HA LEU A 85 9.643 10.455 -51.300 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.779 10.698 -49.593 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.880 10.059 -48.388 1.00 32.10 H new ATOM 0 HG LEU A 85 10.433 11.989 -48.915 1.00 40.23 H new ATOM 0 HD11 LEU A 85 9.435 13.955 -50.011 1.00 13.40 H new ATOM 0 HD12 LEU A 85 9.544 12.565 -51.117 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.980 13.002 -50.387 1.00 13.40 H new ATOM 0 HD21 LEU A 85 9.123 13.602 -47.589 1.00 5.43 H new ATOM 0 HD22 LEU A 85 7.656 12.634 -47.868 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.006 11.955 -46.927 1.00 5.43 H new ATOM 1283 N ILE A 86 11.057 8.581 -48.968 1.00 45.10 N ATOM 1284 CA ILE A 86 12.344 8.155 -48.431 1.00 32.42 C ATOM 1285 C ILE A 86 13.064 7.228 -49.403 1.00 52.13 C ATOM 1286 O ILE A 86 14.291 7.245 -49.502 1.00 14.31 O ATOM 1287 CB ILE A 86 12.181 7.437 -47.079 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.521 8.367 -46.060 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.531 6.957 -46.569 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.612 7.650 -45.087 1.00 63.41 C ATOM 0 H ILE A 86 10.250 8.126 -48.540 1.00 45.10 H new ATOM 0 HA ILE A 86 12.939 9.057 -48.284 1.00 32.42 H new ATOM 0 HB ILE A 86 11.538 6.568 -47.220 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.297 8.890 -45.501 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.945 9.125 -46.591 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.400 6.451 -45.612 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.966 6.264 -47.289 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.196 7.811 -46.440 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.179 8.372 -44.394 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.814 7.150 -45.636 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.187 6.911 -44.529 1.00 63.41 H new ATOM 1302 N ASP A 87 12.293 6.419 -50.122 1.00 50.21 N ATOM 1303 CA ASP A 87 12.858 5.484 -51.090 1.00 61.54 C ATOM 1304 C ASP A 87 13.666 6.225 -52.151 1.00 73.01 C ATOM 1305 O ASP A 87 14.505 5.632 -52.829 1.00 74.03 O ATOM 1306 CB ASP A 87 11.746 4.670 -51.752 1.00 35.13 C ATOM 1307 CG ASP A 87 12.265 3.772 -52.858 1.00 41.55 C ATOM 1308 OD1 ASP A 87 12.860 2.721 -52.539 1.00 61.45 O ATOM 1309 OD2 ASP A 87 12.078 4.120 -54.042 1.00 51.34 O1- ATOM 0 H ASP A 87 11.276 6.391 -50.053 1.00 50.21 H new ATOM 0 HA ASP A 87 13.526 4.806 -50.559 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.247 4.061 -50.998 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.997 5.349 -52.160 1.00 35.13 H new ATOM 1314 N GLN A 88 13.404 7.519 -52.291 1.00 32.35 N ATOM 1315 CA GLN A 88 14.106 8.339 -53.272 1.00 71.22 C ATOM 1316 C GLN A 88 15.522 8.658 -52.802 1.00 44.01 C ATOM 1317 O GLN A 88 16.369 9.073 -53.591 1.00 30.30 O ATOM 1318 CB GLN A 88 13.338 9.636 -53.529 1.00 71.55 C ATOM 1319 CG GLN A 88 13.720 10.766 -52.587 1.00 72.24 C ATOM 1320 CD GLN A 88 12.639 11.824 -52.475 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.450 11.525 -52.584 1.00 14.12 O ATOM 1322 NE2 GLN A 88 13.048 13.068 -52.255 1.00 31.43 N ATOM 0 H GLN A 88 12.711 8.023 -51.738 1.00 32.35 H new ATOM 0 HA GLN A 88 14.169 7.773 -54.201 1.00 71.22 H new ATOM 0 HB2 GLN A 88 13.514 9.955 -54.556 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.270 9.441 -53.435 1.00 71.55 H new ATOM 0 HG2 GLN A 88 13.925 10.356 -51.598 1.00 72.24 H new ATOM 0 HG3 GLN A 88 14.642 11.230 -52.937 1.00 72.24 H new ATOM 0 HE21 GLN A 88 14.044 13.270 -52.171 1.00 31.43 H new ATOM 0 HE22 GLN A 88 12.366 13.822 -52.170 1.00 31.43 H new ATOM 1331 N ALA A 89 15.770 8.460 -51.511 1.00 43.05 N ATOM 1332 CA ALA A 89 17.083 8.725 -50.937 1.00 33.15 C ATOM 1333 C ALA A 89 17.973 7.489 -51.009 1.00 24.14 C ATOM 1334 O ALA A 89 17.500 6.362 -50.865 1.00 71.13 O ATOM 1335 CB ALA A 89 16.943 9.194 -49.496 1.00 12.20 C ATOM 0 H ALA A 89 15.079 8.117 -50.844 1.00 43.05 H new ATOM 0 HA ALA A 89 17.555 9.515 -51.521 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.931 9.388 -49.079 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.351 10.108 -49.467 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.447 8.421 -48.908 1.00 12.20 H new ATOM 1341 N PHE A 90 19.265 7.708 -51.234 1.00 74.20 N ATOM 1342 CA PHE A 90 20.221 6.612 -51.327 1.00 75.52 C ATOM 1343 C PHE A 90 20.343 5.880 -49.993 1.00 71.45 C ATOM 1344 O PHE A 90 20.671 6.481 -48.972 1.00 12.24 O ATOM 1345 CB PHE A 90 21.592 7.137 -51.761 1.00 64.23 C ATOM 1346 CG PHE A 90 21.679 7.443 -53.228 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.812 8.750 -53.670 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.629 6.424 -54.167 1.00 65.35 C ATOM 1349 CE1 PHE A 90 21.894 9.035 -55.021 1.00 45.43 C ATOM 1350 CE2 PHE A 90 21.711 6.703 -55.517 1.00 31.34 C ATOM 1351 CZ PHE A 90 21.841 8.011 -55.945 1.00 1.02 C ATOM 0 H PHE A 90 19.673 8.635 -51.355 1.00 74.20 H new ATOM 0 HA PHE A 90 19.856 5.908 -52.075 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.822 8.040 -51.195 1.00 64.23 H new ATOM 0 HB3 PHE A 90 22.352 6.399 -51.506 1.00 64.23 H new ATOM 0 HD1 PHE A 90 21.852 9.555 -52.951 1.00 30.42 H new ATOM 0 HD2 PHE A 90 21.525 5.400 -53.839 1.00 65.35 H new ATOM 0 HE1 PHE A 90 21.999 10.057 -55.352 1.00 45.43 H new ATOM 0 HE2 PHE A 90 21.674 5.900 -56.238 1.00 31.34 H new ATOM 0 HZ PHE A 90 21.901 8.231 -57.001 1.00 1.02 H new ATOM 1361 N GLY A 91 20.075 4.578 -50.012 1.00 12.51 N ATOM 1362 CA GLY A 91 20.158 3.787 -48.799 1.00 14.41 C ATOM 1363 C GLY A 91 19.372 4.394 -47.655 1.00 73.13 C ATOM 1364 O GLY A 91 19.861 4.470 -46.527 1.00 4.35 O ATOM 0 H GLY A 91 19.802 4.057 -50.846 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.786 2.782 -48.998 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.203 3.687 -48.505 1.00 14.41 H new ATOM 1368 N ALA A 92 18.151 4.831 -47.943 1.00 4.24 N ATOM 1369 CA ALA A 92 17.296 5.435 -46.929 1.00 70.22 C ATOM 1370 C ALA A 92 16.151 4.502 -46.550 1.00 24.25 C ATOM 1371 O ALA A 92 15.613 3.785 -47.395 1.00 13.15 O ATOM 1372 CB ALA A 92 16.751 6.768 -47.423 1.00 0.13 C ATOM 0 H ALA A 92 17.731 4.778 -48.871 1.00 4.24 H new ATOM 0 HA ALA A 92 17.899 5.609 -46.038 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.114 7.208 -46.655 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.580 7.443 -47.637 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.168 6.609 -48.330 1.00 0.13 H new ATOM 1378 N THR A 93 15.781 4.515 -45.273 1.00 45.11 N ATOM 1379 CA THR A 93 14.701 3.669 -44.781 1.00 43.04 C ATOM 1380 C THR A 93 13.754 4.454 -43.881 1.00 51.13 C ATOM 1381 O THR A 93 14.160 5.408 -43.218 1.00 12.44 O ATOM 1382 CB THR A 93 15.247 2.459 -44.000 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.549 2.111 -44.484 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.315 1.264 -44.133 1.00 75.11 C ATOM 0 H THR A 93 16.214 5.103 -44.561 1.00 45.11 H new ATOM 0 HA THR A 93 14.156 3.313 -45.655 1.00 43.04 H new ATOM 0 HB THR A 93 15.312 2.733 -42.947 1.00 14.42 H new ATOM 0 HG1 THR A 93 16.890 1.342 -43.981 1.00 31.50 H new ATOM 0 HG21 THR A 93 14.721 0.422 -43.573 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.333 1.523 -43.737 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.222 0.990 -45.184 1.00 75.11 H new ATOM 1392 N GLY A 94 12.488 4.046 -43.862 1.00 64.34 N ATOM 1393 CA GLY A 94 11.503 4.723 -43.040 1.00 73.52 C ATOM 1394 C GLY A 94 11.907 4.780 -41.580 1.00 11.42 C ATOM 1395 O GLY A 94 11.500 5.684 -40.849 1.00 75.13 O ATOM 0 H GLY A 94 12.128 3.259 -44.401 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.358 5.737 -43.413 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.545 4.210 -43.129 1.00 73.52 H new ATOM 1399 N THR A 95 12.708 3.809 -41.151 1.00 3.02 N ATOM 1400 CA THR A 95 13.164 3.749 -39.769 1.00 45.00 C ATOM 1401 C THR A 95 14.224 4.809 -39.493 1.00 1.41 C ATOM 1402 O THR A 95 14.716 4.934 -38.372 1.00 53.40 O ATOM 1403 CB THR A 95 13.740 2.362 -39.426 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.020 2.197 -40.045 1.00 24.23 O ATOM 1405 CG2 THR A 95 12.801 1.258 -39.886 1.00 23.25 C ATOM 0 H THR A 95 13.054 3.053 -41.742 1.00 3.02 H new ATOM 0 HA THR A 95 12.293 3.938 -39.141 1.00 45.00 H new ATOM 0 HB THR A 95 13.850 2.295 -38.344 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.380 1.314 -39.821 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.229 0.288 -39.633 1.00 23.25 H new ATOM 0 HG22 THR A 95 11.837 1.370 -39.390 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.663 1.324 -40.965 1.00 23.25 H new ATOM 1413 N SER A 96 14.572 5.574 -40.524 1.00 4.44 N ATOM 1414 CA SER A 96 15.576 6.622 -40.394 1.00 60.11 C ATOM 1415 C SER A 96 14.933 7.943 -39.981 1.00 71.41 C ATOM 1416 O SER A 96 15.621 8.882 -39.580 1.00 10.54 O ATOM 1417 CB SER A 96 16.333 6.800 -41.713 1.00 33.34 C ATOM 1418 OG SER A 96 17.476 7.619 -41.537 1.00 54.01 O ATOM 0 H SER A 96 14.173 5.487 -41.458 1.00 4.44 H new ATOM 0 HA SER A 96 16.280 6.322 -39.617 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.635 5.826 -42.097 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.673 7.246 -42.458 1.00 33.34 H new ATOM 0 HG SER A 96 17.341 8.207 -40.765 1.00 54.01 H new ATOM 1424 N ARG A 97 13.610 8.007 -40.084 1.00 14.14 N ATOM 1425 CA ARG A 97 12.872 9.212 -39.724 1.00 44.44 C ATOM 1426 C ARG A 97 12.036 8.982 -38.469 1.00 41.24 C ATOM 1427 O ARG A 97 11.828 7.842 -38.047 1.00 64.24 O ATOM 1428 CB ARG A 97 11.970 9.649 -40.879 1.00 70.20 C ATOM 1429 CG ARG A 97 12.735 10.138 -42.098 1.00 33.41 C ATOM 1430 CD ARG A 97 11.798 10.472 -43.247 1.00 21.13 C ATOM 1431 NE ARG A 97 11.231 11.812 -43.119 1.00 44.32 N ATOM 1432 CZ ARG A 97 11.896 12.923 -43.414 1.00 45.23 C ATOM 1433 NH1 ARG A 97 13.146 12.855 -43.852 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 11.311 14.106 -43.272 1.00 33.05 N ATOM 0 H ARG A 97 13.027 7.238 -40.414 1.00 14.14 H new ATOM 0 HA ARG A 97 13.594 10.002 -39.519 1.00 44.44 H new ATOM 0 HB2 ARG A 97 11.336 8.812 -41.170 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.309 10.444 -40.532 1.00 70.20 H new ATOM 0 HG2 ARG A 97 13.317 11.021 -41.833 1.00 33.41 H new ATOM 0 HG3 ARG A 97 13.443 9.373 -42.415 1.00 33.41 H new ATOM 0 HD2 ARG A 97 12.339 10.396 -44.190 1.00 21.13 H new ATOM 0 HD3 ARG A 97 10.992 9.739 -43.282 1.00 21.13 H new ATOM 0 HE ARG A 97 10.271 11.899 -42.785 1.00 44.32 H new ATOM 0 HH11 ARG A 97 13.599 11.948 -43.963 1.00 54.10 H new ATOM 0 HH12 ARG A 97 13.654 13.710 -44.078 1.00 54.10 H new ATOM 0 HH21 ARG A 97 10.350 14.162 -42.936 1.00 33.05 H new ATOM 0 HH22 ARG A 97 11.823 14.959 -43.499 1.00 33.05 H new ATOM 1448 N LEU A 98 11.557 10.069 -37.876 1.00 2.12 N ATOM 1449 CA LEU A 98 10.742 9.987 -36.669 1.00 73.45 C ATOM 1450 C LEU A 98 11.541 9.400 -35.511 1.00 21.34 C ATOM 1451 O LEU A 98 11.241 8.310 -35.026 1.00 13.34 O ATOM 1452 CB LEU A 98 9.497 9.136 -36.927 1.00 23.22 C ATOM 1453 CG LEU A 98 8.280 9.444 -36.054 1.00 64.21 C ATOM 1454 CD1 LEU A 98 7.507 10.629 -36.615 1.00 54.22 C ATOM 1455 CD2 LEU A 98 7.379 8.222 -35.943 1.00 44.21 C ATOM 0 H LEU A 98 11.719 11.019 -38.211 1.00 2.12 H new ATOM 0 HA LEU A 98 10.435 10.997 -36.399 1.00 73.45 H new ATOM 0 HB2 LEU A 98 9.209 9.256 -37.971 1.00 23.22 H new ATOM 0 HB3 LEU A 98 9.763 8.088 -36.788 1.00 23.22 H new ATOM 0 HG LEU A 98 8.630 9.704 -35.055 1.00 64.21 H new ATOM 0 HD11 LEU A 98 6.644 10.834 -35.981 1.00 54.22 H new ATOM 0 HD12 LEU A 98 8.154 11.506 -36.642 1.00 54.22 H new ATOM 0 HD13 LEU A 98 7.168 10.397 -37.625 1.00 54.22 H new ATOM 0 HD21 LEU A 98 6.518 8.460 -35.318 1.00 44.21 H new ATOM 0 HD22 LEU A 98 7.037 7.931 -36.936 1.00 44.21 H new ATOM 0 HD23 LEU A 98 7.936 7.399 -35.495 1.00 44.21 H new ATOM 1467 N GLY A 99 12.560 10.132 -35.070 1.00 65.55 N ATOM 1468 CA GLY A 99 13.386 9.667 -33.971 1.00 71.01 C ATOM 1469 C GLY A 99 13.327 10.592 -32.771 1.00 52.33 C ATOM 1470 O GLY A 99 14.210 10.567 -31.914 1.00 62.04 O ATOM 0 H GLY A 99 12.828 11.038 -35.454 1.00 65.55 H new ATOM 0 HA2 GLY A 99 13.062 8.670 -33.674 1.00 71.01 H new ATOM 0 HA3 GLY A 99 14.419 9.579 -34.308 1.00 71.01 H new ATOM 1474 N CYS A 100 12.283 11.412 -32.709 1.00 23.20 N ATOM 1475 CA CYS A 100 12.111 12.351 -31.607 1.00 42.23 C ATOM 1476 C CYS A 100 10.778 12.124 -30.902 1.00 61.43 C ATOM 1477 O CYS A 100 9.896 11.444 -31.426 1.00 22.54 O ATOM 1478 CB CYS A 100 12.193 13.790 -32.118 1.00 12.14 C ATOM 1479 SG CYS A 100 13.112 14.918 -31.021 1.00 33.11 S ATOM 0 H CYS A 100 11.543 11.445 -33.410 1.00 23.20 H new ATOM 0 HA CYS A 100 12.914 12.182 -30.890 1.00 42.23 H new ATOM 0 HB2 CYS A 100 12.667 13.789 -33.100 1.00 12.14 H new ATOM 0 HB3 CYS A 100 11.182 14.175 -32.252 1.00 12.14 H new ATOM 1484 N GLN A 101 10.638 12.699 -29.712 1.00 51.23 N ATOM 1485 CA GLN A 101 9.412 12.560 -28.936 1.00 32.50 C ATOM 1486 C GLN A 101 9.087 11.090 -28.690 1.00 24.44 C ATOM 1487 O GLN A 101 7.932 10.674 -28.790 1.00 62.34 O ATOM 1488 CB GLN A 101 8.246 13.239 -29.657 1.00 54.33 C ATOM 1489 CG GLN A 101 8.224 14.750 -29.492 1.00 51.15 C ATOM 1490 CD GLN A 101 9.057 15.464 -30.539 1.00 64.22 C ATOM 1491 OE1 GLN A 101 9.055 15.088 -31.712 1.00 14.41 O ATOM 1492 NE2 GLN A 101 9.773 16.501 -30.120 1.00 64.44 N ATOM 0 H GLN A 101 11.359 13.265 -29.264 1.00 51.23 H new ATOM 0 HA GLN A 101 9.565 13.046 -27.972 1.00 32.50 H new ATOM 0 HB2 GLN A 101 8.297 12.999 -30.719 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.309 12.827 -29.282 1.00 54.33 H new ATOM 0 HG2 GLN A 101 7.194 15.103 -29.550 1.00 51.15 H new ATOM 0 HG3 GLN A 101 8.594 15.009 -28.500 1.00 51.15 H new ATOM 0 HE21 GLN A 101 9.744 16.777 -29.139 1.00 64.44 H new ATOM 0 HE22 GLN A 101 10.352 17.021 -30.780 1.00 64.44 H new ATOM 1501 N LEU A 102 10.111 10.309 -28.369 1.00 65.25 N ATOM 1502 CA LEU A 102 9.936 8.884 -28.110 1.00 63.32 C ATOM 1503 C LEU A 102 9.853 8.610 -26.612 1.00 43.03 C ATOM 1504 O LEU A 102 10.342 9.395 -25.799 1.00 43.45 O ATOM 1505 CB LEU A 102 11.089 8.088 -28.724 1.00 54.24 C ATOM 1506 CG LEU A 102 10.695 6.856 -29.539 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.875 7.262 -30.755 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.933 6.080 -29.964 1.00 5.14 C ATOM 0 H LEU A 102 11.072 10.638 -28.282 1.00 65.25 H new ATOM 0 HA LEU A 102 9.000 8.568 -28.571 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.663 8.756 -29.367 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.753 7.770 -27.920 1.00 54.24 H new ATOM 0 HG LEU A 102 10.082 6.209 -28.912 1.00 12.13 H new ATOM 0 HD11 LEU A 102 9.603 6.373 -31.324 1.00 65.13 H new ATOM 0 HD12 LEU A 102 8.970 7.775 -30.429 1.00 65.13 H new ATOM 0 HD13 LEU A 102 10.464 7.929 -31.384 1.00 65.13 H new ATOM 0 HD21 LEU A 102 11.634 5.206 -30.543 1.00 5.14 H new ATOM 0 HD22 LEU A 102 12.571 6.719 -30.575 1.00 5.14 H new ATOM 0 HD23 LEU A 102 12.482 5.758 -29.079 1.00 5.14 H new ATOM 1520 N ARG A 103 9.232 7.490 -26.254 1.00 52.25 N ATOM 1521 CA ARG A 103 9.086 7.112 -24.854 1.00 12.23 C ATOM 1522 C ARG A 103 9.787 5.786 -24.574 1.00 22.20 C ATOM 1523 O ARG A 103 10.110 5.035 -25.495 1.00 3.34 O ATOM 1524 CB ARG A 103 7.605 7.007 -24.484 1.00 33.05 C ATOM 1525 CG ARG A 103 6.898 8.350 -24.417 1.00 62.04 C ATOM 1526 CD ARG A 103 7.205 9.079 -23.118 1.00 70.21 C ATOM 1527 NE ARG A 103 6.439 10.314 -22.988 1.00 53.42 N ATOM 1528 CZ ARG A 103 6.773 11.452 -23.587 1.00 21.50 C ATOM 1529 NH1 ARG A 103 7.854 11.510 -24.353 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 6.025 12.535 -23.421 1.00 43.51 N ATOM 0 H ARG A 103 8.822 6.829 -26.914 1.00 52.25 H new ATOM 0 HA ARG A 103 9.552 7.886 -24.244 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.100 6.376 -25.216 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.515 6.510 -23.518 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.205 8.966 -25.262 1.00 62.04 H new ATOM 0 HG3 ARG A 103 5.822 8.200 -24.506 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.984 8.425 -22.275 1.00 70.21 H new ATOM 0 HD3 ARG A 103 8.270 9.307 -23.074 1.00 70.21 H new ATOM 0 HE ARG A 103 5.602 10.303 -22.406 1.00 53.42 H new ATOM 0 HH11 ARG A 103 8.432 10.680 -24.484 1.00 52.01 H new ATOM 0 HH12 ARG A 103 8.108 12.385 -24.812 1.00 52.01 H new ATOM 0 HH21 ARG A 103 5.193 12.495 -22.833 1.00 43.51 H new ATOM 0 HH22 ARG A 103 6.282 13.408 -23.881 1.00 43.51 H new ATOM 1544 N VAL A 104 10.020 5.504 -23.295 1.00 21.01 N ATOM 1545 CA VAL A 104 10.682 4.269 -22.893 1.00 23.15 C ATOM 1546 C VAL A 104 9.674 3.250 -22.372 1.00 51.50 C ATOM 1547 O VAL A 104 8.933 3.521 -21.427 1.00 20.41 O ATOM 1548 CB VAL A 104 11.741 4.529 -21.806 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.381 3.222 -21.361 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.795 5.503 -22.311 1.00 72.24 C ATOM 0 H VAL A 104 9.760 6.114 -22.520 1.00 21.01 H new ATOM 0 HA VAL A 104 11.173 3.869 -23.780 1.00 23.15 H new ATOM 0 HB VAL A 104 11.249 4.977 -20.943 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.127 3.425 -20.593 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.615 2.561 -20.957 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.861 2.743 -22.214 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.535 5.675 -21.530 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.286 5.085 -23.190 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.320 6.448 -22.576 1.00 72.24 H new ATOM 1560 N ASP A 105 9.652 2.077 -22.995 1.00 71.13 N ATOM 1561 CA ASP A 105 8.737 1.015 -22.594 1.00 40.04 C ATOM 1562 C ASP A 105 9.449 -0.333 -22.559 1.00 72.04 C ATOM 1563 O ASP A 105 10.609 -0.445 -22.957 1.00 10.30 O ATOM 1564 CB ASP A 105 7.544 0.951 -23.551 1.00 44.20 C ATOM 1565 CG ASP A 105 6.295 1.573 -22.959 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.088 1.442 -21.735 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.524 2.193 -23.721 1.00 33.31 O1- ATOM 0 H ASP A 105 10.258 1.838 -23.780 1.00 71.13 H new ATOM 0 HA ASP A 105 8.377 1.241 -21.590 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.798 1.464 -24.479 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.342 -0.089 -23.807 1.00 44.20 H new ATOM 1572 N LYS A 106 8.748 -1.355 -22.080 1.00 24.41 N ATOM 1573 CA LYS A 106 9.312 -2.697 -21.994 1.00 72.51 C ATOM 1574 C LYS A 106 9.736 -3.199 -23.371 1.00 64.01 C ATOM 1575 O LYS A 106 10.742 -3.896 -23.504 1.00 34.22 O ATOM 1576 CB LYS A 106 8.295 -3.662 -21.380 1.00 13.33 C ATOM 1577 CG LYS A 106 7.048 -3.852 -22.227 1.00 33.41 C ATOM 1578 CD LYS A 106 6.053 -4.781 -21.552 1.00 30.24 C ATOM 1579 CE LYS A 106 5.228 -5.550 -22.572 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.041 -4.774 -23.025 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.788 -1.279 -21.745 1.00 24.41 H new ATOM 0 HA LYS A 106 10.194 -2.652 -21.355 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.772 -4.630 -21.228 1.00 13.33 H new ATOM 0 HB3 LYS A 106 8.003 -3.292 -20.397 1.00 13.33 H new ATOM 0 HG2 LYS A 106 6.579 -2.885 -22.408 1.00 33.41 H new ATOM 0 HG3 LYS A 106 7.326 -4.259 -23.199 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.586 -5.483 -20.910 1.00 30.24 H new ATOM 0 HD3 LYS A 106 5.391 -4.201 -20.909 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.851 -5.795 -23.432 1.00 13.42 H new ATOM 0 HE3 LYS A 106 4.900 -6.494 -22.136 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 3.505 -5.333 -23.719 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 3.433 -4.561 -22.208 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 4.354 -3.885 -23.464 1.00 24.12 H new ATOM 1594 N SER A 107 8.965 -2.838 -24.390 1.00 1.32 N ATOM 1595 CA SER A 107 9.261 -3.253 -25.757 1.00 32.25 C ATOM 1596 C SER A 107 10.563 -2.629 -26.245 1.00 64.51 C ATOM 1597 O SER A 107 11.175 -3.106 -27.202 1.00 35.32 O ATOM 1598 CB SER A 107 8.113 -2.864 -26.690 1.00 25.21 C ATOM 1599 OG SER A 107 8.048 -3.731 -27.810 1.00 60.12 O ATOM 0 H SER A 107 8.130 -2.259 -24.296 1.00 1.32 H new ATOM 0 HA SER A 107 9.374 -4.337 -25.765 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.170 -2.898 -26.145 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.248 -1.837 -27.029 1.00 25.21 H new ATOM 0 HG SER A 107 7.305 -3.462 -28.390 1.00 60.12 H new ATOM 1605 N PHE A 108 10.984 -1.557 -25.582 1.00 54.12 N ATOM 1606 CA PHE A 108 12.213 -0.864 -25.948 1.00 31.34 C ATOM 1607 C PHE A 108 13.430 -1.566 -25.352 1.00 52.43 C ATOM 1608 O PHE A 108 14.565 -1.134 -25.548 1.00 20.31 O ATOM 1609 CB PHE A 108 12.165 0.590 -25.473 1.00 33.33 C ATOM 1610 CG PHE A 108 11.166 1.429 -26.216 1.00 11.41 C ATOM 1611 CD1 PHE A 108 11.582 2.486 -27.010 1.00 41.10 C ATOM 1612 CD2 PHE A 108 9.809 1.164 -26.119 1.00 23.10 C ATOM 1613 CE1 PHE A 108 10.664 3.261 -27.695 1.00 64.01 C ATOM 1614 CE2 PHE A 108 8.888 1.934 -26.801 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.316 2.985 -27.590 1.00 71.21 C ATOM 0 H PHE A 108 10.491 -1.149 -24.788 1.00 54.12 H new ATOM 0 HA PHE A 108 12.301 -0.881 -27.034 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.925 0.609 -24.410 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.155 1.033 -25.584 1.00 33.33 H new ATOM 0 HD1 PHE A 108 12.636 2.707 -27.095 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.468 0.345 -25.503 1.00 23.10 H new ATOM 0 HE1 PHE A 108 11.002 4.081 -28.311 1.00 64.01 H new ATOM 0 HE2 PHE A 108 7.834 1.715 -26.718 1.00 0.32 H new ATOM 0 HZ PHE A 108 8.597 3.589 -28.123 1.00 71.21 H new ATOM 1625 N GLU A 109 13.183 -2.649 -24.622 1.00 45.42 N ATOM 1626 CA GLU A 109 14.259 -3.409 -23.997 1.00 14.13 C ATOM 1627 C GLU A 109 15.243 -3.921 -25.044 1.00 53.04 C ATOM 1628 O GLU A 109 14.859 -4.610 -25.988 1.00 0.14 O ATOM 1629 CB GLU A 109 13.687 -4.584 -23.201 1.00 15.44 C ATOM 1630 CG GLU A 109 14.690 -5.227 -22.258 1.00 21.13 C ATOM 1631 CD GLU A 109 14.038 -6.170 -21.266 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.808 -6.373 -21.361 1.00 23.25 O ATOM 1633 OE2 GLU A 109 14.755 -6.706 -20.395 1.00 62.22 O1- ATOM 0 H GLU A 109 12.249 -3.019 -24.449 1.00 45.42 H new ATOM 0 HA GLU A 109 14.792 -2.744 -23.318 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.829 -4.238 -22.624 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.320 -5.339 -23.897 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.431 -5.774 -22.840 1.00 21.13 H new ATOM 0 HG3 GLU A 109 15.224 -4.447 -21.715 1.00 21.13 H new ATOM 1640 N ASN A 110 16.516 -3.580 -24.868 1.00 40.22 N ATOM 1641 CA ASN A 110 17.557 -4.004 -25.798 1.00 12.52 C ATOM 1642 C ASN A 110 17.334 -3.394 -27.179 1.00 14.11 C ATOM 1643 O ASN A 110 17.815 -3.917 -28.184 1.00 14.41 O ATOM 1644 CB ASN A 110 17.587 -5.531 -25.901 1.00 53.45 C ATOM 1645 CG ASN A 110 18.859 -6.124 -25.328 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.952 -5.895 -25.847 1.00 53.03 O ATOM 1647 ND2 ASN A 110 18.722 -6.890 -24.252 1.00 13.04 N ATOM 0 H ASN A 110 16.851 -3.012 -24.090 1.00 40.22 H new ATOM 0 HA ASN A 110 18.516 -3.653 -25.416 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.727 -5.945 -25.374 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.492 -5.824 -26.947 1.00 53.45 H new ATOM 0 HD21 ASN A 110 19.543 -7.316 -23.822 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.796 -7.052 -23.856 1.00 13.04 H new ATOM 1654 N ALA A 111 16.602 -2.285 -27.219 1.00 11.53 N ATOM 1655 CA ALA A 111 16.318 -1.603 -28.474 1.00 33.33 C ATOM 1656 C ALA A 111 17.594 -1.054 -29.102 1.00 12.12 C ATOM 1657 O ALA A 111 18.483 -0.569 -28.401 1.00 32.25 O ATOM 1658 CB ALA A 111 15.312 -0.483 -28.251 1.00 12.32 C ATOM 0 H ALA A 111 16.195 -1.841 -26.396 1.00 11.53 H new ATOM 0 HA ALA A 111 15.889 -2.329 -29.164 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.109 0.018 -29.198 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.386 -0.899 -27.855 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.719 0.236 -27.540 1.00 12.32 H new ATOM 1664 N VAL A 112 17.679 -1.132 -30.426 1.00 73.01 N ATOM 1665 CA VAL A 112 18.848 -0.641 -31.148 1.00 70.21 C ATOM 1666 C VAL A 112 18.561 0.702 -31.809 1.00 23.10 C ATOM 1667 O VAL A 112 17.705 0.804 -32.688 1.00 15.11 O ATOM 1668 CB VAL A 112 19.304 -1.644 -32.225 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.630 -1.211 -32.830 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.406 -3.044 -31.639 1.00 42.04 C ATOM 0 H VAL A 112 16.953 -1.530 -31.021 1.00 73.01 H new ATOM 0 HA VAL A 112 19.645 -0.519 -30.415 1.00 70.21 H new ATOM 0 HB VAL A 112 18.559 -1.662 -33.020 1.00 32.45 H new ATOM 0 HG11 VAL A 112 20.936 -1.931 -33.589 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.518 -0.228 -33.287 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.388 -1.163 -32.048 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.729 -3.740 -32.413 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.130 -3.046 -30.824 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.432 -3.351 -31.259 1.00 42.04 H new ATOM 1680 N PHE A 113 19.283 1.732 -31.379 1.00 22.12 N ATOM 1681 CA PHE A 113 19.107 3.071 -31.928 1.00 61.43 C ATOM 1682 C PHE A 113 20.339 3.501 -32.721 1.00 43.11 C ATOM 1683 O PHE A 113 21.345 3.920 -32.148 1.00 11.30 O ATOM 1684 CB PHE A 113 18.833 4.074 -30.806 1.00 14.33 C ATOM 1685 CG PHE A 113 17.521 3.851 -30.110 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.401 2.888 -29.121 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.407 4.605 -30.445 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.195 2.681 -28.479 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.200 4.402 -29.804 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.092 3.439 -28.822 1.00 54.32 C ATOM 0 H PHE A 113 19.995 1.665 -30.652 1.00 22.12 H new ATOM 0 HA PHE A 113 18.252 3.049 -32.603 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.638 4.017 -30.074 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.849 5.083 -31.219 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.260 2.292 -28.849 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.483 5.359 -31.215 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.115 1.927 -27.710 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.340 4.998 -30.072 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.148 3.278 -28.323 1.00 54.32 H new ATOM 1700 N THR A 114 20.251 3.392 -34.043 1.00 30.22 N ATOM 1701 CA THR A 114 21.358 3.768 -34.914 1.00 45.33 C ATOM 1702 C THR A 114 21.291 5.246 -35.283 1.00 52.03 C ATOM 1703 O THR A 114 20.281 5.721 -35.802 1.00 43.22 O ATOM 1704 CB THR A 114 21.365 2.928 -36.206 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.659 1.560 -35.899 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.392 3.462 -37.193 1.00 73.44 C ATOM 0 H THR A 114 19.426 3.047 -34.533 1.00 30.22 H new ATOM 0 HA THR A 114 22.276 3.577 -34.359 1.00 45.33 H new ATOM 0 HB THR A 114 20.377 2.994 -36.662 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.660 1.032 -36.725 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.379 2.853 -38.097 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.150 4.494 -37.447 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.384 3.422 -36.743 1.00 73.44 H new ATOM 1714 N VAL A 115 22.374 5.968 -35.013 1.00 21.22 N ATOM 1715 CA VAL A 115 22.438 7.392 -35.319 1.00 72.13 C ATOM 1716 C VAL A 115 23.525 7.684 -36.347 1.00 32.00 C ATOM 1717 O VAL A 115 24.689 7.903 -36.012 1.00 71.13 O ATOM 1718 CB VAL A 115 22.708 8.225 -34.052 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.559 9.710 -34.349 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.775 7.802 -32.928 1.00 0.35 C ATOM 0 H VAL A 115 23.218 5.590 -34.583 1.00 21.22 H new ATOM 0 HA VAL A 115 21.468 7.673 -35.730 1.00 72.13 H new ATOM 0 HB VAL A 115 23.733 8.044 -33.730 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.753 10.284 -33.443 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.271 10.000 -35.122 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.546 9.912 -34.696 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.980 8.401 -32.041 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.741 7.953 -33.237 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.935 6.748 -32.699 1.00 0.35 H new ATOM 1730 N PRO A 116 23.139 7.689 -37.631 1.00 23.44 N ATOM 1731 CA PRO A 116 24.065 7.955 -38.736 1.00 12.20 C ATOM 1732 C PRO A 116 24.527 9.408 -38.768 1.00 62.14 C ATOM 1733 O PRO A 116 25.674 9.696 -39.111 1.00 15.32 O ATOM 1734 CB PRO A 116 23.234 7.631 -39.981 1.00 2.12 C ATOM 1735 CG PRO A 116 21.821 7.827 -39.555 1.00 24.01 C ATOM 1736 CD PRO A 116 21.767 7.437 -38.105 1.00 65.44 C ATOM 0 HA PRO A 116 24.979 7.368 -38.652 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.492 8.289 -40.811 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.408 6.609 -40.318 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.513 8.863 -39.692 1.00 24.01 H new ATOM 0 HG3 PRO A 116 21.145 7.212 -40.150 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.037 8.032 -37.556 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.485 6.392 -37.981 1.00 65.44 H new ATOM 1744 N ARG A 117 23.628 10.318 -38.409 1.00 4.04 N ATOM 1745 CA ARG A 117 23.946 11.741 -38.398 1.00 23.33 C ATOM 1746 C ARG A 117 24.555 12.151 -37.060 1.00 72.14 C ATOM 1747 O ARG A 117 24.256 11.561 -36.023 1.00 53.20 O ATOM 1748 CB ARG A 117 22.687 12.568 -38.672 1.00 24.40 C ATOM 1749 CG ARG A 117 22.964 13.876 -39.394 1.00 3.30 C ATOM 1750 CD ARG A 117 22.958 13.692 -40.903 1.00 34.14 C ATOM 1751 NE ARG A 117 22.696 14.946 -41.606 1.00 31.52 N ATOM 1752 CZ ARG A 117 21.513 15.548 -41.618 1.00 33.23 C ATOM 1753 NH1 ARG A 117 20.488 15.015 -40.970 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 21.354 16.686 -42.281 1.00 55.12 N ATOM 0 H ARG A 117 22.675 10.096 -38.122 1.00 4.04 H new ATOM 0 HA ARG A 117 24.677 11.931 -39.184 1.00 23.33 H new ATOM 0 HB2 ARG A 117 21.994 11.973 -39.268 1.00 24.40 H new ATOM 0 HB3 ARG A 117 22.190 12.783 -37.726 1.00 24.40 H new ATOM 0 HG2 ARG A 117 22.212 14.614 -39.113 1.00 3.30 H new ATOM 0 HG3 ARG A 117 23.930 14.269 -39.078 1.00 3.30 H new ATOM 0 HD2 ARG A 117 23.920 13.291 -41.223 1.00 34.14 H new ATOM 0 HD3 ARG A 117 22.200 12.958 -41.176 1.00 34.14 H new ATOM 0 HE ARG A 117 23.464 15.383 -42.115 1.00 31.52 H new ATOM 0 HH11 ARG A 117 20.607 14.140 -40.460 1.00 32.32 H new ATOM 0 HH12 ARG A 117 19.580 15.480 -40.981 1.00 32.32 H new ATOM 0 HH21 ARG A 117 22.141 17.099 -42.782 1.00 55.12 H new ATOM 0 HH22 ARG A 117 20.445 17.148 -42.290 1.00 55.12 H new ATOM 1768 N ALA A 118 25.412 13.167 -37.093 1.00 53.11 N ATOM 1769 CA ALA A 118 26.062 13.657 -35.884 1.00 11.14 C ATOM 1770 C ALA A 118 25.327 14.867 -35.317 1.00 12.31 C ATOM 1771 O ALA A 118 24.368 15.359 -35.912 1.00 3.41 O ATOM 1772 CB ALA A 118 27.515 14.007 -36.171 1.00 11.25 C ATOM 0 H ALA A 118 25.672 13.666 -37.944 1.00 53.11 H new ATOM 0 HA ALA A 118 26.031 12.863 -35.138 1.00 11.14 H new ATOM 0 HB1 ALA A 118 27.988 14.372 -35.259 1.00 11.25 H new ATOM 0 HB2 ALA A 118 28.041 13.119 -36.523 1.00 11.25 H new ATOM 0 HB3 ALA A 118 27.558 14.781 -36.937 1.00 11.25 H new ATOM 1778 N THR A 119 25.781 15.341 -34.161 1.00 73.41 N ATOM 1779 CA THR A 119 25.165 16.491 -33.512 1.00 14.20 C ATOM 1780 C THR A 119 25.450 17.775 -34.283 1.00 51.53 C ATOM 1781 O THR A 119 24.747 18.773 -34.129 1.00 25.52 O ATOM 1782 CB THR A 119 25.663 16.654 -32.064 1.00 33.41 C ATOM 1783 OG1 THR A 119 27.030 16.235 -31.967 1.00 12.32 O ATOM 1784 CG2 THR A 119 24.809 15.842 -31.103 1.00 33.30 C ATOM 0 H THR A 119 26.574 14.946 -33.655 1.00 73.41 H new ATOM 0 HA THR A 119 24.091 16.308 -33.500 1.00 14.20 H new ATOM 0 HB THR A 119 25.585 17.707 -31.792 1.00 33.41 H new ATOM 0 HG1 THR A 119 27.340 16.343 -31.044 1.00 12.32 H new ATOM 0 HG21 THR A 119 25.180 15.973 -30.087 1.00 33.30 H new ATOM 0 HG22 THR A 119 23.775 16.182 -31.158 1.00 33.30 H new ATOM 0 HG23 THR A 119 24.859 14.787 -31.374 1.00 33.30 H new ATOM 1792 N LYS A 120 26.487 17.743 -35.114 1.00 3.41 N ATOM 1793 CA LYS A 120 26.866 18.904 -35.911 1.00 11.13 C ATOM 1794 C LYS A 120 25.665 19.455 -36.673 1.00 51.15 C ATOM 1795 O LYS A 120 25.132 18.801 -37.568 1.00 3.10 O ATOM 1796 CB LYS A 120 27.979 18.532 -36.893 1.00 73.35 C ATOM 1797 CG LYS A 120 29.362 18.513 -36.266 1.00 23.14 C ATOM 1798 CD LYS A 120 29.865 19.918 -35.982 1.00 22.41 C ATOM 1799 CE LYS A 120 30.833 19.938 -34.808 1.00 40.11 C ATOM 1800 NZ LYS A 120 32.105 19.232 -35.126 1.00 41.15 N1+ ATOM 0 H LYS A 120 27.080 16.925 -35.253 1.00 3.41 H new ATOM 0 HA LYS A 120 27.230 19.676 -35.234 1.00 11.13 H new ATOM 0 HB2 LYS A 120 27.767 17.549 -37.314 1.00 73.35 H new ATOM 0 HB3 LYS A 120 27.974 19.242 -37.720 1.00 73.35 H new ATOM 0 HG2 LYS A 120 29.334 17.941 -35.338 1.00 23.14 H new ATOM 0 HG3 LYS A 120 30.058 18.004 -36.933 1.00 23.14 H new ATOM 0 HD2 LYS A 120 30.359 20.315 -36.869 1.00 22.41 H new ATOM 0 HD3 LYS A 120 29.019 20.572 -35.769 1.00 22.41 H new ATOM 0 HE2 LYS A 120 31.049 20.970 -34.533 1.00 40.11 H new ATOM 0 HE3 LYS A 120 30.364 19.470 -33.943 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 32.737 19.268 -34.301 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 31.902 18.240 -35.364 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 32.566 19.694 -35.936 1.00 41.15 H new ATOM 1814 N ASN A 121 25.245 20.663 -36.312 1.00 64.12 N ATOM 1815 CA ASN A 121 24.108 21.304 -36.963 1.00 63.15 C ATOM 1816 C ASN A 121 24.299 22.816 -37.029 1.00 0.51 C ATOM 1817 O ASN A 121 25.255 23.355 -36.473 1.00 31.55 O ATOM 1818 CB ASN A 121 22.814 20.973 -36.216 1.00 73.33 C ATOM 1819 CG ASN A 121 22.807 21.520 -34.801 1.00 44.14 C ATOM 1820 OD1 ASN A 121 23.636 21.141 -33.974 1.00 64.24 O ATOM 1821 ND2 ASN A 121 21.869 22.416 -34.518 1.00 40.14 N ATOM 0 H ASN A 121 25.675 21.218 -35.572 1.00 64.12 H new ATOM 0 HA ASN A 121 24.040 20.921 -37.981 1.00 63.15 H new ATOM 0 HB2 ASN A 121 21.966 21.382 -36.765 1.00 73.33 H new ATOM 0 HB3 ASN A 121 22.682 19.891 -36.185 1.00 73.33 H new ATOM 0 HD21 ASN A 121 21.815 22.820 -33.583 1.00 40.14 H new ATOM 0 HD22 ASN A 121 21.202 22.701 -35.236 1.00 40.14 H new ATOM 1828 N MET A 122 23.381 23.493 -37.710 1.00 74.51 N ATOM 1829 CA MET A 122 23.447 24.944 -37.847 1.00 43.31 C ATOM 1830 C MET A 122 22.230 25.607 -37.207 1.00 13.55 C ATOM 1831 O MET A 122 22.320 26.718 -36.686 1.00 15.21 O ATOM 1832 CB MET A 122 23.538 25.336 -39.323 1.00 33.13 C ATOM 1833 CG MET A 122 24.935 25.191 -39.904 1.00 63.32 C ATOM 1834 SD MET A 122 26.055 26.492 -39.354 1.00 33.21 S ATOM 1835 CE MET A 122 27.415 25.520 -38.713 1.00 62.33 C ATOM 0 H MET A 122 22.583 23.061 -38.176 1.00 74.51 H new ATOM 0 HA MET A 122 24.342 25.291 -37.331 1.00 43.31 H new ATOM 0 HB2 MET A 122 22.848 24.718 -39.898 1.00 33.13 H new ATOM 0 HB3 MET A 122 23.211 26.370 -39.437 1.00 33.13 H new ATOM 0 HG2 MET A 122 25.344 24.221 -39.620 1.00 63.32 H new ATOM 0 HG3 MET A 122 24.875 25.205 -40.992 1.00 63.32 H new ATOM 0 HE1 MET A 122 28.191 26.185 -38.334 1.00 62.33 H new ATOM 0 HE2 MET A 122 27.057 24.883 -37.904 1.00 62.33 H new ATOM 0 HE3 MET A 122 27.826 24.900 -39.509 1.00 62.33 H new ATOM 1845 N ALA A 123 21.095 24.916 -37.250 1.00 62.43 N ATOM 1846 CA ALA A 123 19.863 25.438 -36.673 1.00 20.11 C ATOM 1847 C ALA A 123 19.490 26.779 -37.294 1.00 52.22 C ATOM 1848 O ALA A 123 19.207 27.745 -36.586 1.00 2.23 O ATOM 1849 CB ALA A 123 20.001 25.572 -35.165 1.00 51.33 C ATOM 0 H ALA A 123 21.004 23.995 -37.678 1.00 62.43 H new ATOM 0 HA ALA A 123 19.062 24.732 -36.891 1.00 20.11 H new ATOM 0 HB1 ALA A 123 19.073 25.963 -34.748 1.00 51.33 H new ATOM 0 HB2 ALA A 123 20.211 24.595 -34.731 1.00 51.33 H new ATOM 0 HB3 ALA A 123 20.819 26.255 -34.934 1.00 51.33 H new ATOM 1855 N VAL A 124 19.492 26.833 -38.622 1.00 12.32 N ATOM 1856 CA VAL A 124 19.154 28.057 -39.339 1.00 34.21 C ATOM 1857 C VAL A 124 17.658 28.134 -39.619 1.00 0.24 C ATOM 1858 O VAL A 124 16.913 27.196 -39.334 1.00 1.13 O ATOM 1859 CB VAL A 124 19.920 28.156 -40.671 1.00 43.14 C ATOM 1860 CG1 VAL A 124 21.413 28.310 -40.420 1.00 44.35 C ATOM 1861 CG2 VAL A 124 19.639 26.939 -41.539 1.00 31.53 C ATOM 0 H VAL A 124 19.724 26.043 -39.224 1.00 12.32 H new ATOM 0 HA VAL A 124 19.444 28.890 -38.699 1.00 34.21 H new ATOM 0 HB VAL A 124 19.573 29.041 -41.204 1.00 43.14 H new ATOM 0 HG11 VAL A 124 21.937 28.378 -41.373 1.00 44.35 H new ATOM 0 HG12 VAL A 124 21.593 29.216 -39.841 1.00 44.35 H new ATOM 0 HG13 VAL A 124 21.780 27.446 -39.865 1.00 44.35 H new ATOM 0 HG21 VAL A 124 20.189 27.026 -42.476 1.00 31.53 H new ATOM 0 HG22 VAL A 124 19.956 26.037 -41.015 1.00 31.53 H new ATOM 0 HG23 VAL A 124 18.571 26.880 -41.749 1.00 31.53 H new ATOM 1871 N ASP A 125 17.223 29.258 -40.179 1.00 50.35 N ATOM 1872 CA ASP A 125 15.815 29.458 -40.498 1.00 62.21 C ATOM 1873 C ASP A 125 14.949 29.329 -39.249 1.00 45.30 C ATOM 1874 O ASP A 125 13.876 28.730 -39.284 1.00 64.33 O ATOM 1875 CB ASP A 125 15.361 28.449 -41.555 1.00 71.03 C ATOM 1876 CG ASP A 125 16.100 28.614 -42.868 1.00 62.23 C ATOM 1877 OD1 ASP A 125 15.466 29.039 -43.857 1.00 41.11 O ATOM 1878 OD2 ASP A 125 17.313 28.319 -42.907 1.00 63.51 O1- ATOM 0 H ASP A 125 17.826 30.044 -40.421 1.00 50.35 H new ATOM 0 HA ASP A 125 15.699 30.466 -40.895 1.00 62.21 H new ATOM 0 HB2 ASP A 125 15.517 27.438 -41.178 1.00 71.03 H new ATOM 0 HB3 ASP A 125 14.291 28.564 -41.727 1.00 71.03 H new ATOM 1883 N GLY A 126 15.426 29.895 -38.144 1.00 32.22 N ATOM 1884 CA GLY A 126 14.684 29.830 -36.898 1.00 22.23 C ATOM 1885 C GLY A 126 14.393 31.203 -36.326 1.00 23.11 C ATOM 1886 O GLY A 126 13.614 31.337 -35.381 1.00 73.43 O ATOM 0 H GLY A 126 16.312 30.397 -38.090 1.00 32.22 H new ATOM 0 HA2 GLY A 126 13.745 29.302 -37.065 1.00 22.23 H new ATOM 0 HA3 GLY A 126 15.251 29.249 -36.171 1.00 22.23 H new ATOM 1890 N PHE A 127 15.019 32.226 -36.896 1.00 42.33 N ATOM 1891 CA PHE A 127 14.826 33.596 -36.436 1.00 23.03 C ATOM 1892 C PHE A 127 13.342 33.952 -36.398 1.00 1.32 C ATOM 1893 O PHE A 127 12.644 33.857 -37.407 1.00 74.31 O ATOM 1894 CB PHE A 127 15.574 34.573 -37.344 1.00 35.24 C ATOM 1895 CG PHE A 127 16.944 34.930 -36.842 1.00 61.51 C ATOM 1896 CD1 PHE A 127 17.297 36.251 -36.628 1.00 3.43 C ATOM 1897 CD2 PHE A 127 17.880 33.940 -36.584 1.00 41.13 C ATOM 1898 CE1 PHE A 127 18.557 36.583 -36.166 1.00 12.22 C ATOM 1899 CE2 PHE A 127 19.141 34.265 -36.121 1.00 13.40 C ATOM 1900 CZ PHE A 127 19.481 35.588 -35.913 1.00 1.02 C ATOM 0 H PHE A 127 15.666 32.132 -37.679 1.00 42.33 H new ATOM 0 HA PHE A 127 15.227 33.673 -35.425 1.00 23.03 H new ATOM 0 HB2 PHE A 127 15.663 34.136 -38.339 1.00 35.24 H new ATOM 0 HB3 PHE A 127 14.985 35.484 -37.447 1.00 35.24 H new ATOM 0 HD1 PHE A 127 16.578 37.033 -36.825 1.00 3.43 H new ATOM 0 HD2 PHE A 127 17.621 32.904 -36.747 1.00 41.13 H new ATOM 0 HE1 PHE A 127 18.818 37.618 -36.003 1.00 12.22 H new ATOM 0 HE2 PHE A 127 19.861 33.485 -35.922 1.00 13.40 H new ATOM 0 HZ PHE A 127 20.467 35.843 -35.553 1.00 1.02 H new ATOM 1910 N LYS A 128 12.868 34.362 -35.226 1.00 65.05 N ATOM 1911 CA LYS A 128 11.469 34.734 -35.055 1.00 0.22 C ATOM 1912 C LYS A 128 11.231 36.176 -35.494 1.00 2.55 C ATOM 1913 O LYS A 128 12.153 36.989 -35.564 1.00 2.22 O ATOM 1914 CB LYS A 128 11.048 34.559 -33.595 1.00 35.34 C ATOM 1915 CG LYS A 128 10.389 33.222 -33.307 1.00 41.42 C ATOM 1916 CD LYS A 128 11.402 32.188 -32.844 1.00 55.02 C ATOM 1917 CE LYS A 128 10.957 30.776 -33.193 1.00 44.30 C ATOM 1918 NZ LYS A 128 12.092 29.812 -33.159 1.00 71.43 N1+ ATOM 0 H LYS A 128 13.433 34.445 -34.381 1.00 65.05 H new ATOM 0 HA LYS A 128 10.866 34.077 -35.682 1.00 0.22 H new ATOM 0 HB2 LYS A 128 11.926 34.667 -32.957 1.00 35.34 H new ATOM 0 HB3 LYS A 128 10.359 35.359 -33.326 1.00 35.34 H new ATOM 0 HG2 LYS A 128 9.623 33.350 -32.542 1.00 41.42 H new ATOM 0 HG3 LYS A 128 9.886 32.863 -34.205 1.00 41.42 H new ATOM 0 HD2 LYS A 128 12.368 32.391 -33.307 1.00 55.02 H new ATOM 0 HD3 LYS A 128 11.541 32.271 -31.766 1.00 55.02 H new ATOM 0 HE2 LYS A 128 10.186 30.455 -32.492 1.00 44.30 H new ATOM 0 HE3 LYS A 128 10.507 30.772 -34.186 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 11.987 29.125 -33.932 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 12.988 30.327 -33.273 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 12.094 29.310 -32.248 1.00 71.43 H new ATOM 1932 N PRO A 129 9.965 36.502 -35.796 1.00 72.11 N ATOM 1933 CA PRO A 129 9.577 37.847 -36.231 1.00 73.12 C ATOM 1934 C PRO A 129 9.677 38.871 -35.107 1.00 21.15 C ATOM 1935 O PRO A 129 9.785 40.072 -35.354 1.00 62.32 O ATOM 1936 CB PRO A 129 8.120 37.672 -36.668 1.00 45.02 C ATOM 1937 CG PRO A 129 7.632 36.497 -35.894 1.00 53.15 C ATOM 1938 CD PRO A 129 8.816 35.584 -35.735 1.00 34.35 C ATOM 0 HA PRO A 129 10.230 38.225 -37.018 1.00 73.12 H new ATOM 0 HB2 PRO A 129 7.531 38.563 -36.449 1.00 45.02 H new ATOM 0 HB3 PRO A 129 8.047 37.497 -37.741 1.00 45.02 H new ATOM 0 HG2 PRO A 129 7.243 36.804 -34.923 1.00 53.15 H new ATOM 0 HG3 PRO A 129 6.820 35.994 -36.419 1.00 53.15 H new ATOM 0 HD2 PRO A 129 8.783 35.044 -34.789 1.00 34.35 H new ATOM 0 HD3 PRO A 129 8.856 34.837 -36.527 1.00 34.35 H new ATOM 1946 N LYS A 130 9.639 38.390 -33.870 1.00 15.20 N ATOM 1947 CA LYS A 130 9.727 39.264 -32.704 1.00 11.44 C ATOM 1948 C LYS A 130 10.283 38.510 -31.500 1.00 3.25 C ATOM 1949 O LYS A 130 10.302 37.280 -31.462 1.00 43.11 O ATOM 1950 CB LYS A 130 8.349 39.839 -32.368 1.00 1.11 C ATOM 1951 CG LYS A 130 8.159 41.273 -32.829 1.00 1.34 C ATOM 1952 CD LYS A 130 6.784 41.486 -33.439 1.00 53.24 C ATOM 1953 CE LYS A 130 6.290 42.908 -33.216 1.00 72.42 C ATOM 1954 NZ LYS A 130 6.664 43.807 -34.342 1.00 22.44 N1+ ATOM 0 H LYS A 130 9.548 37.399 -33.647 1.00 15.20 H new ATOM 0 HA LYS A 130 10.407 40.082 -32.943 1.00 11.44 H new ATOM 0 HB2 LYS A 130 7.582 39.214 -32.827 1.00 1.11 H new ATOM 0 HB3 LYS A 130 8.197 39.790 -31.290 1.00 1.11 H new ATOM 0 HG2 LYS A 130 8.291 41.948 -31.984 1.00 1.34 H new ATOM 0 HG3 LYS A 130 8.926 41.525 -33.561 1.00 1.34 H new ATOM 0 HD2 LYS A 130 6.822 41.276 -34.508 1.00 53.24 H new ATOM 0 HD3 LYS A 130 6.077 40.781 -33.001 1.00 53.24 H new ATOM 0 HE2 LYS A 130 5.206 42.902 -33.100 1.00 72.42 H new ATOM 0 HE3 LYS A 130 6.708 43.296 -32.287 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 6.310 44.766 -34.153 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 7.699 43.833 -34.437 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 6.245 43.451 -35.225 1.00 22.44 H new ATOM 1968 N PRO A 131 10.746 39.264 -30.492 1.00 61.00 N ATOM 1969 CA PRO A 131 11.309 38.689 -29.268 1.00 32.35 C ATOM 1970 C PRO A 131 10.250 38.012 -28.404 1.00 31.34 C ATOM 1971 O PRO A 131 9.101 37.859 -28.820 1.00 23.11 O ATOM 1972 CB PRO A 131 11.894 39.903 -28.541 1.00 15.11 C ATOM 1973 CG PRO A 131 11.104 41.062 -29.044 1.00 73.03 C ATOM 1974 CD PRO A 131 10.754 40.737 -30.470 1.00 44.23 C ATOM 0 HA PRO A 131 12.041 37.910 -29.484 1.00 32.35 H new ATOM 0 HB2 PRO A 131 11.801 39.800 -27.460 1.00 15.11 H new ATOM 0 HB3 PRO A 131 12.955 40.022 -28.760 1.00 15.11 H new ATOM 0 HG2 PRO A 131 10.205 41.211 -28.446 1.00 73.03 H new ATOM 0 HG3 PRO A 131 11.683 41.984 -28.985 1.00 73.03 H new ATOM 0 HD2 PRO A 131 9.784 41.148 -30.750 1.00 44.23 H new ATOM 0 HD3 PRO A 131 11.486 41.145 -31.167 1.00 44.23 H new ATOM 1982 N HIS A 132 10.643 37.607 -27.201 1.00 72.12 N ATOM 1983 CA HIS A 132 9.727 36.947 -26.279 1.00 11.44 C ATOM 1984 C HIS A 132 9.799 37.580 -24.893 1.00 44.33 C ATOM 1985 O HIS A 132 8.757 37.864 -24.305 1.00 51.01 O ATOM 1986 CB HIS A 132 10.049 35.454 -26.187 1.00 21.33 C ATOM 1987 CG HIS A 132 9.076 34.586 -26.925 1.00 14.41 C ATOM 1988 ND1 HIS A 132 8.445 34.980 -28.086 1.00 32.41 N ATOM 1989 CD2 HIS A 132 8.630 33.335 -26.661 1.00 31.54 C ATOM 1990 CE1 HIS A 132 7.651 34.010 -28.504 1.00 53.00 C ATOM 1991 NE2 HIS A 132 7.745 33.001 -27.657 1.00 24.25 N ATOM 0 H HIS A 132 11.590 37.725 -26.842 1.00 72.12 H new ATOM 0 HA HIS A 132 8.714 37.070 -26.663 1.00 11.44 H new ATOM 0 HB2 HIS A 132 11.050 35.281 -26.582 1.00 21.33 H new ATOM 0 HB3 HIS A 132 10.065 35.158 -25.138 1.00 21.33 H new ATOM 0 HD1 HIS A 132 8.571 35.880 -28.550 1.00 32.41 H new ATOM 0 HD2 HIS A 132 8.917 32.716 -25.824 1.00 31.54 H new ATOM 0 HE1 HIS A 132 7.031 34.038 -29.388 1.00 53.00 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 14.440 19.088 -30.475 1.00 71.43 FE HETATM 2001 FE2 FES A 200 14.322 16.662 -31.685 1.00 2.34 FE HETATM 2002 S1 FES A 200 13.597 17.207 -29.685 1.00 50.50 S HETATM 2003 S2 FES A 200 15.541 18.381 -32.210 1.00 65.42 S