USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 85 MET CE :methyl 159:sc= -3.56! (180deg=-4.24!) USER MOD Set 1.2: A 90 MET CE :methyl 142:sc= -3.32 (180deg=-9.08!) USER MOD Set 2.1: A 66 MET CE :methyl 171:sc= -4.06! (180deg=-4.43) USER MOD Set 2.2: A 71 MET CE :methyl -103:sc= -1.82 (180deg=-6.46!) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0756 (180deg=-0.0192) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -153:sc= 0.191 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.91) USER MOD Single : A 28 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.53) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.691 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.78 K(o=-3.8,f=-9.2!) USER MOD Single : A 46 MET CE :methyl -113:sc= -1.83 (180deg=-4.64!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 47:sc= 0.433 USER MOD Single : A 65 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 76 THR OG1 : rot -109:sc= 1.26 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.82) USER MOD Single : A 108 SER OG : rot -120:sc= -0.453 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.487 1.561 -4.015 1.00 2.12 N ATOM 2 CA MET A 1 2.902 1.254 -3.841 1.00 55.40 C ATOM 3 C MET A 1 3.106 -0.234 -3.573 1.00 43.44 C ATOM 4 O MET A 1 2.197 -0.920 -3.106 1.00 21.44 O ATOM 5 CB MET A 1 3.486 2.076 -2.691 1.00 1.43 C ATOM 6 CG MET A 1 3.010 1.627 -1.320 1.00 14.10 C ATOM 7 SD MET A 1 4.303 0.806 -0.369 1.00 63.13 S ATOM 8 CE MET A 1 3.320 -0.190 0.749 1.00 63.32 C ATOM 0 H1 MET A 1 1.295 1.755 -5.018 1.00 2.12 H new ATOM 0 H2 MET A 1 0.915 0.750 -3.703 1.00 2.12 H new ATOM 0 H3 MET A 1 1.241 2.397 -3.447 1.00 2.12 H new ATOM 0 HA MET A 1 3.421 1.514 -4.764 1.00 55.40 H new ATOM 0 HB2 MET A 1 4.574 2.014 -2.727 1.00 1.43 H new ATOM 0 HB3 MET A 1 3.221 3.124 -2.833 1.00 1.43 H new ATOM 0 HG2 MET A 1 2.649 2.492 -0.764 1.00 14.10 H new ATOM 0 HG3 MET A 1 2.165 0.949 -1.437 1.00 14.10 H new ATOM 0 HE1 MET A 1 3.979 -0.759 1.405 1.00 63.32 H new ATOM 0 HE2 MET A 1 2.683 0.459 1.350 1.00 63.32 H new ATOM 0 HE3 MET A 1 2.699 -0.877 0.174 1.00 63.32 H new ATOM 18 N SER A 2 4.304 -0.725 -3.871 1.00 54.23 N ATOM 19 CA SER A 2 4.626 -2.133 -3.666 1.00 32.41 C ATOM 20 C SER A 2 5.915 -2.285 -2.865 1.00 10.23 C ATOM 21 O SER A 2 6.921 -1.635 -3.157 1.00 4.44 O ATOM 22 CB SER A 2 4.760 -2.849 -5.011 1.00 33.45 C ATOM 23 OG SER A 2 4.048 -2.164 -6.027 1.00 15.20 O ATOM 0 H SER A 2 5.068 -0.169 -4.255 1.00 54.23 H new ATOM 0 HA SER A 2 3.812 -2.587 -3.101 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.813 -2.920 -5.285 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.384 -3.868 -4.923 1.00 33.45 H new ATOM 0 HG SER A 2 4.151 -2.641 -6.877 1.00 15.20 H new ATOM 29 N LEU A 3 5.879 -3.146 -1.854 1.00 73.31 N ATOM 30 CA LEU A 3 7.045 -3.384 -1.010 1.00 75.02 C ATOM 31 C LEU A 3 8.157 -4.068 -1.798 1.00 14.53 C ATOM 32 O LEU A 3 7.929 -4.592 -2.888 1.00 42.22 O ATOM 33 CB LEU A 3 6.658 -4.240 0.197 1.00 63.32 C ATOM 34 CG LEU A 3 6.714 -3.547 1.559 1.00 12.11 C ATOM 35 CD1 LEU A 3 5.646 -4.104 2.487 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.095 -3.700 2.179 1.00 14.33 C ATOM 0 H LEU A 3 5.055 -3.691 -1.599 1.00 73.31 H new ATOM 0 HA LEU A 3 7.414 -2.420 -0.661 1.00 75.02 H new ATOM 0 HB2 LEU A 3 5.645 -4.612 0.043 1.00 63.32 H new ATOM 0 HB3 LEU A 3 7.316 -5.109 0.227 1.00 63.32 H new ATOM 0 HG LEU A 3 6.519 -2.485 1.412 1.00 12.11 H new ATOM 0 HD11 LEU A 3 5.702 -3.598 3.451 1.00 30.40 H new ATOM 0 HD12 LEU A 3 4.662 -3.941 2.048 1.00 30.40 H new ATOM 0 HD13 LEU A 3 5.808 -5.173 2.628 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.116 -3.201 3.148 1.00 14.33 H new ATOM 0 HD22 LEU A 3 8.319 -4.758 2.311 1.00 14.33 H new ATOM 0 HD23 LEU A 3 8.840 -3.251 1.523 1.00 14.33 H new ATOM 48 N LYS A 4 9.362 -4.062 -1.237 1.00 74.23 N ATOM 49 CA LYS A 4 10.511 -4.684 -1.884 1.00 53.11 C ATOM 50 C LYS A 4 10.364 -6.202 -1.911 1.00 23.13 C ATOM 51 O LYS A 4 10.299 -6.810 -2.979 1.00 33.14 O ATOM 52 CB LYS A 4 11.802 -4.300 -1.158 1.00 4.34 C ATOM 53 CG LYS A 4 12.341 -2.937 -1.557 1.00 14.11 C ATOM 54 CD LYS A 4 12.104 -1.902 -0.470 1.00 62.11 C ATOM 55 CE LYS A 4 11.449 -0.648 -1.026 1.00 4.50 C ATOM 56 NZ LYS A 4 11.424 0.455 -0.025 1.00 25.42 N1+ ATOM 0 H LYS A 4 9.568 -3.633 -0.335 1.00 74.23 H new ATOM 0 HA LYS A 4 10.557 -4.322 -2.911 1.00 53.11 H new ATOM 0 HB2 LYS A 4 11.621 -4.310 -0.083 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.561 -5.055 -1.360 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.409 -3.013 -1.761 1.00 14.11 H new ATOM 0 HG3 LYS A 4 11.862 -2.612 -2.481 1.00 14.11 H new ATOM 0 HD2 LYS A 4 11.472 -2.329 0.308 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.053 -1.641 -0.002 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.988 -0.320 -1.915 1.00 4.50 H new ATOM 0 HE3 LYS A 4 10.430 -0.878 -1.338 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 10.970 1.292 -0.442 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 10.888 0.151 0.813 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.397 0.692 0.254 1.00 25.42 H new ATOM 70 N SER A 5 10.309 -6.809 -0.729 1.00 45.41 N ATOM 71 CA SER A 5 10.171 -8.255 -0.618 1.00 45.22 C ATOM 72 C SER A 5 9.112 -8.776 -1.586 1.00 54.53 C ATOM 73 O SER A 5 9.203 -9.903 -2.074 1.00 44.30 O ATOM 74 CB SER A 5 9.805 -8.646 0.814 1.00 53.55 C ATOM 75 OG SER A 5 8.761 -7.828 1.315 1.00 22.21 O ATOM 0 H SER A 5 10.358 -6.320 0.165 1.00 45.41 H new ATOM 0 HA SER A 5 11.129 -8.707 -0.876 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.497 -9.691 0.842 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.682 -8.555 1.455 1.00 53.55 H new ATOM 0 HG SER A 5 8.830 -7.771 2.291 1.00 22.21 H new ATOM 81 N ASP A 6 8.110 -7.948 -1.858 1.00 52.44 N ATOM 82 CA ASP A 6 7.034 -8.324 -2.767 1.00 71.01 C ATOM 83 C ASP A 6 7.592 -8.773 -4.114 1.00 21.35 C ATOM 84 O ASP A 6 7.229 -9.831 -4.625 1.00 22.51 O ATOM 85 CB ASP A 6 6.073 -7.150 -2.965 1.00 22.02 C ATOM 86 CG ASP A 6 4.620 -7.583 -2.958 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.226 -8.319 -2.029 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 3.879 -7.189 -3.882 1.00 43.34 O ATOM 0 H ASP A 6 8.020 -7.012 -1.462 1.00 52.44 H new ATOM 0 HA ASP A 6 6.491 -9.158 -2.323 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.234 -6.416 -2.176 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.297 -6.656 -3.911 1.00 22.02 H new ATOM 93 N GLU A 7 8.477 -7.959 -4.684 1.00 34.23 N ATOM 94 CA GLU A 7 9.083 -8.273 -5.972 1.00 34.02 C ATOM 95 C GLU A 7 9.709 -9.665 -5.954 1.00 65.44 C ATOM 96 O GLU A 7 9.626 -10.407 -6.933 1.00 4.31 O ATOM 97 CB GLU A 7 10.144 -7.230 -6.328 1.00 60.23 C ATOM 98 CG GLU A 7 10.380 -7.088 -7.823 1.00 53.31 C ATOM 99 CD GLU A 7 10.994 -5.751 -8.192 1.00 52.50 C ATOM 100 OE1 GLU A 7 12.094 -5.443 -7.688 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 10.373 -5.013 -8.986 1.00 42.03 O ATOM 0 H GLU A 7 8.789 -7.079 -4.274 1.00 34.23 H new ATOM 0 HA GLU A 7 8.298 -8.256 -6.728 1.00 34.02 H new ATOM 0 HB2 GLU A 7 9.842 -6.264 -5.923 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.083 -7.499 -5.844 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.035 -7.890 -8.161 1.00 53.31 H new ATOM 0 HG3 GLU A 7 9.433 -7.206 -8.349 1.00 53.31 H new ATOM 108 N VAL A 8 10.335 -10.013 -4.834 1.00 74.30 N ATOM 109 CA VAL A 8 10.973 -11.315 -4.687 1.00 35.34 C ATOM 110 C VAL A 8 9.974 -12.445 -4.910 1.00 41.31 C ATOM 111 O VAL A 8 10.164 -13.292 -5.783 1.00 60.20 O ATOM 112 CB VAL A 8 11.610 -11.474 -3.294 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.138 -12.888 -3.106 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.718 -10.451 -3.096 1.00 74.14 C ATOM 0 H VAL A 8 10.414 -9.410 -4.015 1.00 74.30 H new ATOM 0 HA VAL A 8 11.755 -11.371 -5.444 1.00 35.34 H new ATOM 0 HB VAL A 8 10.843 -11.296 -2.540 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.584 -12.981 -2.116 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.317 -13.599 -3.202 1.00 15.23 H new ATOM 0 HG13 VAL A 8 12.891 -13.099 -3.865 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.157 -10.577 -2.107 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.486 -10.595 -3.855 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.305 -9.446 -3.184 1.00 74.14 H new ATOM 124 N PHE A 9 8.910 -12.452 -4.114 1.00 5.40 N ATOM 125 CA PHE A 9 7.880 -13.478 -4.224 1.00 4.42 C ATOM 126 C PHE A 9 7.440 -13.655 -5.674 1.00 14.12 C ATOM 127 O PHE A 9 7.293 -14.776 -6.157 1.00 72.03 O ATOM 128 CB PHE A 9 6.675 -13.117 -3.353 1.00 14.30 C ATOM 129 CG PHE A 9 7.046 -12.712 -1.955 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.938 -13.469 -1.213 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.501 -11.573 -1.383 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.281 -13.099 0.073 1.00 45.45 C ATOM 133 CE2 PHE A 9 6.841 -11.198 -0.097 1.00 70.23 C ATOM 134 CZ PHE A 9 7.731 -11.963 0.632 1.00 3.11 C ATOM 0 H PHE A 9 8.739 -11.759 -3.386 1.00 5.40 H new ATOM 0 HA PHE A 9 8.303 -14.420 -3.874 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.126 -12.302 -3.825 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.000 -13.972 -3.308 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.370 -14.359 -1.645 1.00 64.03 H new ATOM 0 HD2 PHE A 9 5.804 -10.972 -1.948 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.978 -13.698 0.640 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.411 -10.308 0.338 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.996 -11.673 1.638 1.00 3.11 H new ATOM 144 N ALA A 10 7.230 -12.537 -6.362 1.00 54.15 N ATOM 145 CA ALA A 10 6.808 -12.567 -7.757 1.00 71.40 C ATOM 146 C ALA A 10 7.869 -13.218 -8.638 1.00 23.42 C ATOM 147 O ALA A 10 7.568 -14.103 -9.439 1.00 32.34 O ATOM 148 CB ALA A 10 6.504 -11.159 -8.247 1.00 11.12 C ATOM 0 H ALA A 10 7.345 -11.600 -5.976 1.00 54.15 H new ATOM 0 HA ALA A 10 5.900 -13.167 -7.823 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.190 -11.197 -9.290 1.00 11.12 H new ATOM 0 HB2 ALA A 10 5.705 -10.728 -7.643 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.398 -10.542 -8.159 1.00 11.12 H new ATOM 154 N LYS A 11 9.111 -12.772 -8.486 1.00 53.04 N ATOM 155 CA LYS A 11 10.219 -13.311 -9.267 1.00 71.11 C ATOM 156 C LYS A 11 10.253 -14.833 -9.184 1.00 34.23 C ATOM 157 O LYS A 11 10.299 -15.519 -10.205 1.00 35.32 O ATOM 158 CB LYS A 11 11.547 -12.732 -8.774 1.00 75.32 C ATOM 159 CG LYS A 11 11.766 -11.284 -9.177 1.00 51.04 C ATOM 160 CD LYS A 11 11.800 -11.125 -10.688 1.00 31.12 C ATOM 161 CE LYS A 11 10.563 -10.405 -11.200 1.00 2.51 C ATOM 162 NZ LYS A 11 10.152 -10.896 -12.545 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.376 -12.038 -7.829 1.00 53.04 H new ATOM 0 HA LYS A 11 10.070 -13.025 -10.308 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.586 -12.808 -7.687 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.365 -13.337 -9.165 1.00 75.32 H new ATOM 0 HG2 LYS A 11 10.970 -10.666 -8.763 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.703 -10.924 -8.751 1.00 51.04 H new ATOM 0 HD2 LYS A 11 12.692 -10.569 -10.976 1.00 31.12 H new ATOM 0 HD3 LYS A 11 11.871 -12.106 -11.157 1.00 31.12 H new ATOM 0 HE2 LYS A 11 9.743 -10.546 -10.496 1.00 2.51 H new ATOM 0 HE3 LYS A 11 10.760 -9.334 -11.249 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 9.305 -10.380 -12.859 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 10.925 -10.738 -13.223 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 9.939 -11.913 -12.493 1.00 32.05 H new ATOM 176 N ILE A 12 10.230 -15.355 -7.962 1.00 21.10 N ATOM 177 CA ILE A 12 10.256 -16.796 -7.748 1.00 64.54 C ATOM 178 C ILE A 12 9.176 -17.494 -8.566 1.00 34.03 C ATOM 179 O ILE A 12 9.471 -18.355 -9.396 1.00 74.53 O ATOM 180 CB ILE A 12 10.063 -17.148 -6.260 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.317 -16.786 -5.462 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.736 -18.625 -6.103 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.227 -17.152 -3.996 1.00 2.33 C ATOM 0 H ILE A 12 10.193 -14.802 -7.106 1.00 21.10 H new ATOM 0 HA ILE A 12 11.237 -17.144 -8.073 1.00 64.54 H new ATOM 0 HB ILE A 12 9.227 -16.568 -5.870 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.177 -17.291 -5.902 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.497 -15.715 -5.550 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.603 -18.858 -5.047 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.818 -18.854 -6.644 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.553 -19.223 -6.506 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.151 -16.867 -3.492 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.388 -16.626 -3.541 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.078 -18.227 -3.898 1.00 2.33 H new ATOM 195 N ALA A 13 7.924 -17.116 -8.330 1.00 52.24 N ATOM 196 CA ALA A 13 6.800 -17.702 -9.049 1.00 63.33 C ATOM 197 C ALA A 13 7.055 -17.713 -10.552 1.00 65.53 C ATOM 198 O ALA A 13 6.896 -18.741 -11.212 1.00 52.01 O ATOM 199 CB ALA A 13 5.519 -16.944 -8.735 1.00 65.33 C ATOM 0 H ALA A 13 7.663 -16.406 -7.646 1.00 52.24 H new ATOM 0 HA ALA A 13 6.688 -18.735 -8.718 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.688 -17.393 -9.279 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.320 -16.993 -7.664 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.629 -15.902 -9.036 1.00 65.33 H new ATOM 205 N LYS A 14 7.452 -16.565 -11.089 1.00 61.31 N ATOM 206 CA LYS A 14 7.731 -16.442 -12.515 1.00 24.13 C ATOM 207 C LYS A 14 8.767 -17.469 -12.958 1.00 74.23 C ATOM 208 O LYS A 14 8.619 -18.103 -14.002 1.00 64.00 O ATOM 209 CB LYS A 14 8.225 -15.030 -12.839 1.00 55.21 C ATOM 210 CG LYS A 14 7.117 -14.077 -13.251 1.00 43.13 C ATOM 211 CD LYS A 14 7.389 -13.459 -14.611 1.00 15.10 C ATOM 212 CE LYS A 14 6.101 -13.222 -15.385 1.00 0.23 C ATOM 213 NZ LYS A 14 5.818 -11.771 -15.560 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.588 -15.705 -10.558 1.00 61.31 H new ATOM 0 HA LYS A 14 6.805 -16.630 -13.058 1.00 24.13 H new ATOM 0 HB2 LYS A 14 8.736 -14.624 -11.966 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.961 -15.087 -13.641 1.00 55.21 H new ATOM 0 HG2 LYS A 14 6.167 -14.611 -13.277 1.00 43.13 H new ATOM 0 HG3 LYS A 14 7.019 -13.288 -12.505 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.917 -12.514 -14.483 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.044 -14.115 -15.185 1.00 15.10 H new ATOM 0 HE2 LYS A 14 6.172 -13.699 -16.363 1.00 0.23 H new ATOM 0 HE3 LYS A 14 5.270 -13.693 -14.860 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 4.932 -11.652 -16.092 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 5.725 -11.320 -14.627 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 6.599 -11.326 -16.083 1.00 52.31 H new ATOM 227 N ARG A 15 9.815 -17.629 -12.156 1.00 24.20 N ATOM 228 CA ARG A 15 10.875 -18.580 -12.465 1.00 2.23 C ATOM 229 C ARG A 15 10.317 -19.994 -12.597 1.00 74.55 C ATOM 230 O ARG A 15 10.763 -20.774 -13.439 1.00 13.42 O ATOM 231 CB ARG A 15 11.954 -18.545 -11.381 1.00 52.33 C ATOM 232 CG ARG A 15 12.885 -19.746 -11.408 1.00 60.13 C ATOM 233 CD ARG A 15 13.719 -19.775 -12.680 1.00 64.22 C ATOM 234 NE ARG A 15 13.481 -20.985 -13.463 1.00 31.41 N ATOM 235 CZ ARG A 15 14.314 -21.433 -14.395 1.00 3.45 C ATOM 236 NH1 ARG A 15 15.435 -20.774 -14.659 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 14.029 -22.543 -15.065 1.00 54.20 N ATOM 0 H ARG A 15 9.952 -17.112 -11.287 1.00 24.20 H new ATOM 0 HA ARG A 15 11.318 -18.293 -13.418 1.00 2.23 H new ATOM 0 HB2 ARG A 15 12.544 -17.636 -11.497 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.474 -18.490 -10.404 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.544 -19.717 -10.540 1.00 60.13 H new ATOM 0 HG3 ARG A 15 12.300 -20.663 -11.334 1.00 60.13 H new ATOM 0 HD2 ARG A 15 13.486 -18.899 -13.286 1.00 64.22 H new ATOM 0 HD3 ARG A 15 14.776 -19.712 -12.422 1.00 64.22 H new ATOM 0 HE ARG A 15 12.628 -21.515 -13.284 1.00 31.41 H new ATOM 0 HH11 ARG A 15 15.658 -19.921 -14.146 1.00 71.10 H new ATOM 0 HH12 ARG A 15 16.073 -21.120 -15.375 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.169 -23.053 -14.864 1.00 54.20 H new ATOM 0 HH22 ARG A 15 14.670 -22.886 -15.781 1.00 54.20 H new ATOM 251 N LEU A 16 9.339 -20.318 -11.758 1.00 62.42 N ATOM 252 CA LEU A 16 8.719 -21.638 -11.780 1.00 42.54 C ATOM 253 C LEU A 16 8.046 -21.903 -13.123 1.00 3.14 C ATOM 254 O LEU A 16 7.774 -23.049 -13.476 1.00 45.05 O ATOM 255 CB LEU A 16 7.694 -21.760 -10.651 1.00 71.15 C ATOM 256 CG LEU A 16 8.037 -21.031 -9.351 1.00 53.24 C ATOM 257 CD1 LEU A 16 7.047 -21.399 -8.256 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.458 -21.355 -8.917 1.00 22.33 C ATOM 0 H LEU A 16 8.959 -19.685 -11.054 1.00 62.42 H new ATOM 0 HA LEU A 16 9.502 -22.382 -11.635 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.737 -21.384 -11.014 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.556 -22.817 -10.426 1.00 71.15 H new ATOM 0 HG LEU A 16 7.969 -19.958 -9.530 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.307 -20.871 -7.338 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.041 -21.116 -8.565 1.00 44.00 H new ATOM 0 HD13 LEU A 16 7.083 -22.474 -8.079 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.685 -20.828 -7.990 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.553 -22.429 -8.756 1.00 22.33 H new ATOM 0 HD23 LEU A 16 10.156 -21.041 -9.693 1.00 22.33 H new ATOM 270 N GLU A 17 7.784 -20.834 -13.868 1.00 24.21 N ATOM 271 CA GLU A 17 7.146 -20.952 -15.174 1.00 73.03 C ATOM 272 C GLU A 17 8.162 -21.340 -16.245 1.00 53.54 C ATOM 273 O GLU A 17 7.796 -21.786 -17.331 1.00 53.11 O ATOM 274 CB GLU A 17 6.465 -19.635 -15.554 1.00 62.44 C ATOM 275 CG GLU A 17 5.590 -19.061 -14.452 1.00 32.22 C ATOM 276 CD GLU A 17 5.087 -17.667 -14.772 1.00 55.30 C ATOM 277 OE1 GLU A 17 5.781 -16.943 -15.517 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.001 -17.300 -14.278 1.00 71.21 O1- ATOM 0 H GLU A 17 8.003 -19.877 -13.590 1.00 24.21 H new ATOM 0 HA GLU A 17 6.393 -21.738 -15.112 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.229 -18.904 -15.817 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.856 -19.794 -16.444 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.739 -19.722 -14.288 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.156 -19.034 -13.521 1.00 32.22 H new ATOM 285 N SER A 18 9.442 -21.164 -15.929 1.00 60.23 N ATOM 286 CA SER A 18 10.512 -21.490 -16.863 1.00 50.12 C ATOM 287 C SER A 18 10.703 -23.000 -16.964 1.00 44.52 C ATOM 288 O SER A 18 10.818 -23.551 -18.059 1.00 12.43 O ATOM 289 CB SER A 18 11.819 -20.827 -16.427 1.00 53.43 C ATOM 290 OG SER A 18 11.791 -19.432 -16.675 1.00 62.03 O ATOM 0 H SER A 18 9.762 -20.797 -15.033 1.00 60.23 H new ATOM 0 HA SER A 18 10.231 -21.110 -17.845 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.985 -21.007 -15.365 1.00 53.43 H new ATOM 0 HB3 SER A 18 12.655 -21.278 -16.962 1.00 53.43 H new ATOM 0 HG SER A 18 12.637 -19.031 -16.386 1.00 62.03 H new ATOM 296 N ILE A 19 10.736 -23.664 -15.813 1.00 61.30 N ATOM 297 CA ILE A 19 10.913 -25.110 -15.770 1.00 41.24 C ATOM 298 C ILE A 19 9.972 -25.808 -16.747 1.00 31.14 C ATOM 299 O ILE A 19 8.773 -25.928 -16.493 1.00 72.51 O ATOM 300 CB ILE A 19 10.669 -25.665 -14.355 1.00 11.12 C ATOM 301 CG1 ILE A 19 11.757 -25.176 -13.397 1.00 33.03 C ATOM 302 CG2 ILE A 19 10.625 -27.186 -14.382 1.00 52.32 C ATOM 303 CD1 ILE A 19 11.239 -24.255 -12.314 1.00 70.51 C ATOM 0 H ILE A 19 10.642 -23.223 -14.898 1.00 61.30 H new ATOM 0 HA ILE A 19 11.945 -25.310 -16.057 1.00 41.24 H new ATOM 0 HB ILE A 19 9.706 -25.299 -13.999 1.00 11.12 H new ATOM 0 HG12 ILE A 19 12.234 -26.038 -12.932 1.00 33.03 H new ATOM 0 HG13 ILE A 19 12.526 -24.656 -13.968 1.00 33.03 H new ATOM 0 HG21 ILE A 19 10.452 -27.563 -13.374 1.00 52.32 H new ATOM 0 HG22 ILE A 19 9.818 -27.515 -15.036 1.00 52.32 H new ATOM 0 HG23 ILE A 19 11.574 -27.571 -14.755 1.00 52.32 H new ATOM 0 HD11 ILE A 19 12.065 -23.948 -11.672 1.00 70.51 H new ATOM 0 HD12 ILE A 19 10.787 -23.374 -12.771 1.00 70.51 H new ATOM 0 HD13 ILE A 19 10.491 -24.779 -11.718 1.00 70.51 H new ATOM 315 N ASP A 20 10.523 -26.268 -17.864 1.00 31.11 N ATOM 316 CA ASP A 20 9.735 -26.958 -18.879 1.00 60.31 C ATOM 317 C ASP A 20 8.981 -28.138 -18.273 1.00 52.22 C ATOM 318 O ASP A 20 9.471 -28.824 -17.376 1.00 2.52 O ATOM 319 CB ASP A 20 10.637 -27.442 -20.014 1.00 72.22 C ATOM 320 CG ASP A 20 10.222 -26.884 -21.362 1.00 72.21 C ATOM 321 OD1 ASP A 20 10.320 -25.654 -21.550 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 9.798 -27.678 -22.228 1.00 1.44 O ATOM 0 H ASP A 20 11.513 -26.176 -18.090 1.00 31.11 H new ATOM 0 HA ASP A 20 9.007 -26.252 -19.280 1.00 60.31 H new ATOM 0 HB2 ASP A 20 11.667 -27.151 -19.805 1.00 72.22 H new ATOM 0 HB3 ASP A 20 10.615 -28.531 -20.052 1.00 72.22 H new ATOM 327 N PRO A 21 7.760 -28.380 -18.772 1.00 3.01 N ATOM 328 CA PRO A 21 6.913 -29.476 -18.294 1.00 51.32 C ATOM 329 C PRO A 21 7.454 -30.844 -18.693 1.00 31.01 C ATOM 330 O PRO A 21 7.124 -31.857 -18.078 1.00 73.52 O ATOM 331 CB PRO A 21 5.570 -29.211 -18.979 1.00 40.32 C ATOM 332 CG PRO A 21 5.916 -28.436 -20.204 1.00 41.15 C ATOM 333 CD PRO A 21 7.113 -27.601 -19.842 1.00 41.12 C ATOM 0 HA PRO A 21 6.855 -29.501 -17.206 1.00 51.32 H new ATOM 0 HB2 PRO A 21 5.063 -30.143 -19.230 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.899 -28.648 -18.330 1.00 40.32 H new ATOM 0 HG2 PRO A 21 6.142 -29.102 -21.036 1.00 41.15 H new ATOM 0 HG3 PRO A 21 5.082 -27.808 -20.517 1.00 41.15 H new ATOM 0 HD2 PRO A 21 7.777 -27.460 -20.695 1.00 41.12 H new ATOM 0 HD3 PRO A 21 6.822 -26.609 -19.497 1.00 41.12 H new ATOM 341 N ALA A 22 8.287 -30.866 -19.728 1.00 74.25 N ATOM 342 CA ALA A 22 8.877 -32.110 -20.208 1.00 71.25 C ATOM 343 C ALA A 22 10.161 -32.436 -19.454 1.00 24.44 C ATOM 344 O ALA A 22 10.891 -33.355 -19.821 1.00 64.13 O ATOM 345 CB ALA A 22 9.148 -32.023 -21.703 1.00 74.40 C ATOM 0 H ALA A 22 8.569 -30.036 -20.250 1.00 74.25 H new ATOM 0 HA ALA A 22 8.165 -32.915 -20.025 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.588 -32.958 -22.048 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.212 -31.845 -22.233 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.838 -31.203 -21.901 1.00 74.40 H new ATOM 351 N ASN A 23 10.431 -31.675 -18.397 1.00 31.42 N ATOM 352 CA ASN A 23 11.629 -31.883 -17.592 1.00 33.21 C ATOM 353 C ASN A 23 11.546 -31.104 -16.283 1.00 71.22 C ATOM 354 O ASN A 23 11.714 -29.884 -16.263 1.00 21.44 O ATOM 355 CB ASN A 23 12.874 -31.458 -18.373 1.00 24.34 C ATOM 356 CG ASN A 23 14.154 -31.699 -17.597 1.00 24.24 C ATOM 357 OD1 ASN A 23 15.016 -30.825 -17.514 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.282 -32.890 -17.023 1.00 44.13 N ATOM 0 H ASN A 23 9.837 -30.910 -18.079 1.00 31.42 H new ATOM 0 HA ASN A 23 11.700 -32.945 -17.359 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.914 -32.007 -19.314 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.798 -30.400 -18.624 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.121 -33.110 -16.487 1.00 44.13 H new ATOM 0 HD22 ASN A 23 13.541 -33.584 -17.118 1.00 44.13 H new ATOM 365 N ARG A 24 11.285 -31.817 -15.192 1.00 31.34 N ATOM 366 CA ARG A 24 11.180 -31.193 -13.878 1.00 3.31 C ATOM 367 C ARG A 24 12.369 -31.570 -12.999 1.00 41.40 C ATOM 368 O ARG A 24 13.212 -32.376 -13.393 1.00 60.52 O ATOM 369 CB ARG A 24 9.876 -31.610 -13.196 1.00 43.24 C ATOM 370 CG ARG A 24 8.645 -31.418 -14.067 1.00 73.04 C ATOM 371 CD ARG A 24 8.192 -29.967 -14.080 1.00 15.52 C ATOM 372 NE ARG A 24 7.991 -29.443 -12.731 1.00 53.32 N ATOM 373 CZ ARG A 24 6.860 -29.584 -12.049 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.833 -30.229 -12.586 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.754 -29.080 -10.826 1.00 32.13 N ATOM 0 H ARG A 24 11.142 -32.827 -15.192 1.00 31.34 H new ATOM 0 HA ARG A 24 11.182 -30.112 -14.016 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.946 -32.659 -12.907 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.755 -31.034 -12.279 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.864 -31.741 -15.085 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.836 -32.049 -13.700 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.935 -29.360 -14.597 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.263 -29.883 -14.644 1.00 15.52 H new ATOM 0 HE ARG A 24 8.761 -28.942 -12.289 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.910 -30.619 -13.525 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.966 -30.335 -12.059 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.542 -28.584 -10.409 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.885 -29.189 -10.303 1.00 32.13 H new ATOM 389 N GLN A 25 12.430 -30.980 -11.810 1.00 23.44 N ATOM 390 CA GLN A 25 13.516 -31.254 -10.877 1.00 3.41 C ATOM 391 C GLN A 25 12.993 -31.931 -9.615 1.00 43.32 C ATOM 392 O GLN A 25 13.094 -33.149 -9.464 1.00 3.03 O ATOM 393 CB GLN A 25 14.241 -29.957 -10.512 1.00 73.40 C ATOM 394 CG GLN A 25 14.981 -29.324 -11.679 1.00 65.05 C ATOM 395 CD GLN A 25 15.984 -30.267 -12.314 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.556 -31.127 -11.645 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.202 -30.110 -13.615 1.00 12.31 N ATOM 0 H GLN A 25 11.741 -30.310 -11.470 1.00 23.44 H new ATOM 0 HA GLN A 25 14.218 -31.930 -11.364 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.516 -29.243 -10.122 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.951 -30.161 -9.710 1.00 73.40 H new ATOM 0 HG2 GLN A 25 14.260 -29.006 -12.432 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.498 -28.428 -11.334 1.00 65.05 H new ATOM 0 HE21 GLN A 25 15.706 -29.384 -14.131 1.00 12.31 H new ATOM 0 HE22 GLN A 25 16.866 -30.716 -14.098 1.00 12.31 H new ATOM 406 N VAL A 26 12.433 -31.134 -8.711 1.00 53.35 N ATOM 407 CA VAL A 26 11.893 -31.657 -7.461 1.00 53.24 C ATOM 408 C VAL A 26 10.620 -30.919 -7.061 1.00 23.30 C ATOM 409 O VAL A 26 10.675 -29.805 -6.540 1.00 23.40 O ATOM 410 CB VAL A 26 12.918 -31.547 -6.317 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.326 -32.069 -5.017 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.194 -32.297 -6.671 1.00 61.33 C ATOM 0 H VAL A 26 12.341 -30.124 -8.820 1.00 53.35 H new ATOM 0 HA VAL A 26 11.662 -32.708 -7.632 1.00 53.24 H new ATOM 0 HB VAL A 26 13.169 -30.495 -6.177 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.065 -31.983 -4.220 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.444 -31.484 -4.758 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.044 -33.115 -5.140 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.907 -32.209 -5.851 1.00 61.33 H new ATOM 0 HG22 VAL A 26 13.963 -33.349 -6.839 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.627 -31.871 -7.576 1.00 61.33 H new ATOM 422 N GLU A 27 9.475 -31.548 -7.308 1.00 51.22 N ATOM 423 CA GLU A 27 8.189 -30.949 -6.974 1.00 53.14 C ATOM 424 C GLU A 27 7.845 -31.183 -5.506 1.00 20.43 C ATOM 425 O GLU A 27 7.851 -32.318 -5.028 1.00 21.25 O ATOM 426 CB GLU A 27 7.086 -31.526 -7.865 1.00 64.43 C ATOM 427 CG GLU A 27 7.520 -31.747 -9.304 1.00 1.54 C ATOM 428 CD GLU A 27 7.796 -33.205 -9.613 1.00 23.31 C ATOM 429 OE1 GLU A 27 8.755 -33.762 -9.038 1.00 13.03 O ATOM 430 OE2 GLU A 27 7.055 -33.791 -10.429 1.00 0.53 O1- ATOM 0 H GLU A 27 9.412 -32.471 -7.738 1.00 51.22 H new ATOM 0 HA GLU A 27 8.262 -29.875 -7.146 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.751 -32.475 -7.446 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.230 -30.851 -7.852 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.744 -31.378 -9.974 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.417 -31.161 -9.503 1.00 1.54 H new ATOM 437 N HIS A 28 7.547 -30.100 -4.794 1.00 1.34 N ATOM 438 CA HIS A 28 7.201 -30.186 -3.380 1.00 23.23 C ATOM 439 C HIS A 28 6.654 -28.855 -2.872 1.00 12.45 C ATOM 440 O HIS A 28 6.710 -27.843 -3.571 1.00 2.54 O ATOM 441 CB HIS A 28 8.423 -30.596 -2.558 1.00 64.15 C ATOM 442 CG HIS A 28 8.424 -32.041 -2.166 1.00 70.02 C ATOM 443 ND1 HIS A 28 7.378 -32.640 -1.495 1.00 64.13 N ATOM 444 CD2 HIS A 28 9.350 -33.010 -2.355 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.662 -33.913 -1.287 1.00 15.35 C ATOM 446 NE2 HIS A 28 8.854 -34.163 -1.800 1.00 63.45 N ATOM 0 H HIS A 28 7.538 -29.153 -5.173 1.00 1.34 H new ATOM 0 HA HIS A 28 6.426 -30.944 -3.267 1.00 23.23 H new ATOM 0 HB2 HIS A 28 9.325 -30.383 -3.132 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.467 -29.984 -1.657 1.00 64.15 H new ATOM 0 HD2 HIS A 28 10.303 -32.897 -2.851 1.00 51.55 H new ATOM 0 HE1 HIS A 28 7.028 -34.628 -0.783 1.00 15.35 H new ATOM 0 HE2 HIS A 28 9.328 -35.066 -1.786 1.00 63.45 H new ATOM 454 N VAL A 29 6.127 -28.864 -1.652 1.00 54.23 N ATOM 455 CA VAL A 29 5.570 -27.658 -1.051 1.00 31.14 C ATOM 456 C VAL A 29 6.570 -27.005 -0.103 1.00 41.44 C ATOM 457 O VAL A 29 7.224 -27.684 0.689 1.00 25.11 O ATOM 458 CB VAL A 29 4.272 -27.962 -0.281 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.716 -26.695 0.351 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.244 -28.603 -1.203 1.00 5.11 C ATOM 0 H VAL A 29 6.074 -29.693 -1.060 1.00 54.23 H new ATOM 0 HA VAL A 29 5.346 -26.972 -1.868 1.00 31.14 H new ATOM 0 HB VAL A 29 4.501 -28.667 0.518 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.799 -26.930 0.891 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.449 -26.282 1.044 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.501 -25.964 -0.428 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.333 -28.811 -0.643 1.00 5.11 H new ATOM 0 HG22 VAL A 29 3.018 -27.923 -2.024 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.645 -29.534 -1.603 1.00 5.11 H new ATOM 470 N TYR A 30 6.683 -25.685 -0.187 1.00 54.15 N ATOM 471 CA TYR A 30 7.605 -24.940 0.662 1.00 42.42 C ATOM 472 C TYR A 30 6.881 -23.816 1.396 1.00 53.31 C ATOM 473 O TYR A 30 5.745 -23.473 1.067 1.00 71.04 O ATOM 474 CB TYR A 30 8.750 -24.365 -0.173 1.00 40.44 C ATOM 475 CG TYR A 30 9.421 -25.385 -1.064 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.689 -26.669 -0.605 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.788 -25.065 -2.366 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.303 -27.604 -1.415 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.402 -25.994 -3.184 1.00 50.54 C ATOM 480 CZ TYR A 30 10.657 -27.263 -2.703 1.00 32.12 C ATOM 481 OH TYR A 30 11.269 -28.191 -3.514 1.00 33.15 O ATOM 0 H TYR A 30 6.147 -25.108 -0.835 1.00 54.15 H new ATOM 0 HA TYR A 30 8.015 -25.628 1.402 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.366 -23.553 -0.790 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.495 -23.933 0.496 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.412 -26.941 0.403 1.00 23.33 H new ATOM 0 HD2 TYR A 30 9.590 -24.073 -2.745 1.00 63.54 H new ATOM 0 HE1 TYR A 30 10.505 -28.597 -1.041 1.00 42.43 H new ATOM 0 HE2 TYR A 30 10.681 -25.729 -4.193 1.00 50.54 H new ATOM 0 HH TYR A 30 11.451 -27.791 -4.390 1.00 33.15 H new ATOM 491 N LYS A 31 7.547 -23.244 2.394 1.00 21.53 N ATOM 492 CA LYS A 31 6.971 -22.157 3.176 1.00 33.30 C ATOM 493 C LYS A 31 8.015 -21.082 3.464 1.00 72.40 C ATOM 494 O LYS A 31 9.162 -21.389 3.791 1.00 42.23 O ATOM 495 CB LYS A 31 6.399 -22.694 4.490 1.00 30.01 C ATOM 496 CG LYS A 31 5.737 -21.627 5.346 1.00 12.24 C ATOM 497 CD LYS A 31 6.313 -21.604 6.751 1.00 72.33 C ATOM 498 CE LYS A 31 5.684 -22.675 7.629 1.00 1.42 C ATOM 499 NZ LYS A 31 6.488 -22.930 8.857 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.487 -23.516 2.680 1.00 21.53 H new ATOM 0 HA LYS A 31 6.166 -21.710 2.593 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.670 -23.474 4.268 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.201 -23.161 5.062 1.00 30.01 H new ATOM 0 HG2 LYS A 31 5.871 -20.651 4.881 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.664 -21.812 5.395 1.00 12.24 H new ATOM 0 HD2 LYS A 31 7.391 -21.756 6.706 1.00 72.33 H new ATOM 0 HD3 LYS A 31 6.148 -20.623 7.197 1.00 72.33 H new ATOM 0 HE2 LYS A 31 4.677 -22.367 7.912 1.00 1.42 H new ATOM 0 HE3 LYS A 31 5.587 -23.600 7.060 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 6.026 -23.666 9.428 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 7.441 -23.248 8.588 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 6.559 -22.054 9.413 1.00 74.42 H new ATOM 513 N PHE A 32 7.609 -19.823 3.344 1.00 21.34 N ATOM 514 CA PHE A 32 8.509 -18.703 3.593 1.00 31.43 C ATOM 515 C PHE A 32 8.060 -17.904 4.813 1.00 73.13 C ATOM 516 O PHE A 32 6.869 -17.838 5.121 1.00 30.25 O ATOM 517 CB PHE A 32 8.573 -17.789 2.367 1.00 2.44 C ATOM 518 CG PHE A 32 9.917 -17.776 1.698 1.00 52.35 C ATOM 519 CD1 PHE A 32 11.051 -17.396 2.398 1.00 34.32 C ATOM 520 CD2 PHE A 32 10.048 -18.145 0.369 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.289 -17.382 1.786 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.284 -18.133 -0.250 1.00 15.23 C ATOM 523 CZ PHE A 32 12.406 -17.752 0.460 1.00 34.24 C ATOM 0 H PHE A 32 6.663 -19.552 3.076 1.00 21.34 H new ATOM 0 HA PHE A 32 9.502 -19.106 3.790 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.820 -18.108 1.646 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.316 -16.773 2.667 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.966 -17.107 3.435 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.174 -18.446 -0.190 1.00 25.20 H new ATOM 0 HE1 PHE A 32 13.164 -17.082 2.343 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.372 -18.421 -1.287 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.373 -17.743 -0.021 1.00 34.24 H new ATOM 533 N ARG A 33 9.021 -17.300 5.504 1.00 2.52 N ATOM 534 CA ARG A 33 8.725 -16.508 6.691 1.00 14.43 C ATOM 535 C ARG A 33 9.295 -15.099 6.561 1.00 75.14 C ATOM 536 O ARG A 33 10.485 -14.923 6.295 1.00 61.42 O ATOM 537 CB ARG A 33 9.293 -17.187 7.939 1.00 2.14 C ATOM 538 CG ARG A 33 8.228 -17.649 8.919 1.00 20.25 C ATOM 539 CD ARG A 33 7.973 -19.144 8.800 1.00 10.22 C ATOM 540 NE ARG A 33 8.050 -19.817 10.094 1.00 11.44 N ATOM 541 CZ ARG A 33 7.100 -19.739 11.020 1.00 10.32 C ATOM 542 NH1 ARG A 33 6.007 -19.023 10.794 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 7.242 -20.380 12.173 1.00 25.32 N ATOM 0 H ARG A 33 10.011 -17.344 5.262 1.00 2.52 H new ATOM 0 HA ARG A 33 7.642 -16.435 6.787 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.891 -18.046 7.635 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.965 -16.494 8.446 1.00 2.14 H new ATOM 0 HG2 ARG A 33 8.540 -17.412 9.936 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.302 -17.105 8.735 1.00 20.25 H new ATOM 0 HD2 ARG A 33 6.988 -19.310 8.363 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.702 -19.583 8.119 1.00 10.22 H new ATOM 0 HE ARG A 33 8.878 -20.377 10.298 1.00 11.44 H new ATOM 0 HH11 ARG A 33 5.894 -18.531 9.908 1.00 23.32 H new ATOM 0 HH12 ARG A 33 5.279 -18.965 11.506 1.00 23.32 H new ATOM 0 HH21 ARG A 33 8.081 -20.933 12.349 1.00 25.32 H new ATOM 0 HH22 ARG A 33 6.512 -20.320 12.883 1.00 25.32 H new ATOM 557 N ILE A 34 8.440 -14.099 6.748 1.00 62.22 N ATOM 558 CA ILE A 34 8.860 -12.707 6.653 1.00 24.14 C ATOM 559 C ILE A 34 8.916 -12.053 8.029 1.00 22.22 C ATOM 560 O ILE A 34 7.919 -11.522 8.519 1.00 15.22 O ATOM 561 CB ILE A 34 7.913 -11.894 5.749 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.778 -12.566 4.381 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.421 -10.468 5.597 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.106 -12.893 3.735 1.00 0.34 C ATOM 0 H ILE A 34 7.452 -14.227 6.966 1.00 62.22 H new ATOM 0 HA ILE A 34 9.858 -12.708 6.214 1.00 24.14 H new ATOM 0 HB ILE A 34 6.928 -11.860 6.215 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.201 -13.484 4.492 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.212 -11.912 3.718 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.742 -9.906 4.956 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.471 -9.993 6.577 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.415 -10.482 5.149 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.934 -13.367 2.769 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.677 -11.976 3.592 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.666 -13.572 4.378 1.00 0.34 H new ATOM 576 N THR A 35 10.091 -12.094 8.650 1.00 73.35 N ATOM 577 CA THR A 35 10.279 -11.505 9.970 1.00 10.14 C ATOM 578 C THR A 35 10.782 -10.070 9.866 1.00 21.43 C ATOM 579 O THR A 35 11.651 -9.766 9.049 1.00 61.13 O ATOM 580 CB THR A 35 11.272 -12.325 10.815 1.00 42.42 C ATOM 581 OG1 THR A 35 12.400 -12.703 10.017 1.00 61.24 O ATOM 582 CG2 THR A 35 10.604 -13.570 11.379 1.00 21.42 C ATOM 0 H THR A 35 10.927 -12.529 8.260 1.00 73.35 H new ATOM 0 HA THR A 35 9.305 -11.511 10.460 1.00 10.14 H new ATOM 0 HB THR A 35 11.607 -11.704 11.646 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.946 -13.351 10.509 1.00 61.24 H new ATOM 0 HG21 THR A 35 11.325 -14.133 11.972 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.764 -13.278 12.010 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.243 -14.192 10.560 1.00 21.42 H new ATOM 590 N GLN A 36 10.230 -9.192 10.698 1.00 63.41 N ATOM 591 CA GLN A 36 10.625 -7.789 10.698 1.00 14.20 C ATOM 592 C GLN A 36 11.399 -7.440 11.965 1.00 45.14 C ATOM 593 O GLN A 36 10.810 -7.179 13.012 1.00 5.11 O ATOM 594 CB GLN A 36 9.392 -6.891 10.578 1.00 55.11 C ATOM 595 CG GLN A 36 8.300 -7.218 11.584 1.00 62.44 C ATOM 596 CD GLN A 36 7.935 -6.031 12.454 1.00 40.34 C ATOM 597 OE1 GLN A 36 7.716 -4.926 11.957 1.00 43.51 O ATOM 598 NE2 GLN A 36 7.865 -6.254 13.762 1.00 20.34 N ATOM 0 H GLN A 36 9.509 -9.428 11.380 1.00 63.41 H new ATOM 0 HA GLN A 36 11.275 -7.621 9.839 1.00 14.20 H new ATOM 0 HB2 GLN A 36 9.695 -5.852 10.709 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.985 -6.980 9.571 1.00 55.11 H new ATOM 0 HG2 GLN A 36 7.412 -7.561 11.053 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.630 -8.041 12.218 1.00 62.44 H new ATOM 0 HE21 GLN A 36 8.054 -7.186 14.131 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.622 -5.493 14.397 1.00 20.34 H new ATOM 607 N GLY A 37 12.725 -7.442 11.861 1.00 64.45 N ATOM 608 CA GLY A 37 13.559 -7.125 13.007 1.00 34.24 C ATOM 609 C GLY A 37 13.989 -8.362 13.770 1.00 24.32 C ATOM 610 O GLY A 37 15.173 -8.556 14.036 1.00 10.20 O ATOM 0 H GLY A 37 13.236 -7.657 11.005 1.00 64.45 H new ATOM 0 HA2 GLY A 37 14.443 -6.584 12.670 1.00 34.24 H new ATOM 0 HA3 GLY A 37 13.014 -6.460 13.677 1.00 34.24 H new ATOM 614 N GLY A 38 13.021 -9.202 14.125 1.00 74.12 N ATOM 615 CA GLY A 38 13.325 -10.415 14.862 1.00 13.31 C ATOM 616 C GLY A 38 12.101 -11.280 15.085 1.00 0.22 C ATOM 617 O GLY A 38 12.217 -12.477 15.352 1.00 3.34 O ATOM 0 H GLY A 38 12.032 -9.064 13.915 1.00 74.12 H new ATOM 0 HA2 GLY A 38 14.077 -10.988 14.319 1.00 13.31 H new ATOM 0 HA3 GLY A 38 13.760 -10.151 15.826 1.00 13.31 H new ATOM 621 N LYS A 39 10.923 -10.675 14.977 1.00 34.44 N ATOM 622 CA LYS A 39 9.671 -11.397 15.169 1.00 44.41 C ATOM 623 C LYS A 39 8.916 -11.537 13.851 1.00 41.22 C ATOM 624 O LYS A 39 8.896 -10.616 13.035 1.00 21.13 O ATOM 625 CB LYS A 39 8.795 -10.677 16.197 1.00 12.35 C ATOM 626 CG LYS A 39 8.494 -11.509 17.431 1.00 61.01 C ATOM 627 CD LYS A 39 7.516 -10.805 18.355 1.00 62.52 C ATOM 628 CE LYS A 39 7.850 -11.058 19.817 1.00 2.21 C ATOM 629 NZ LYS A 39 7.012 -12.145 20.397 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.809 -9.685 14.757 1.00 34.44 H new ATOM 0 HA LYS A 39 9.909 -12.394 15.539 1.00 44.41 H new ATOM 0 HB2 LYS A 39 9.291 -9.756 16.503 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.855 -10.391 15.724 1.00 12.35 H new ATOM 0 HG2 LYS A 39 8.082 -12.472 17.130 1.00 61.01 H new ATOM 0 HG3 LYS A 39 9.420 -11.713 17.968 1.00 61.01 H new ATOM 0 HD2 LYS A 39 7.534 -9.733 18.157 1.00 62.52 H new ATOM 0 HD3 LYS A 39 6.504 -11.151 18.147 1.00 62.52 H new ATOM 0 HE2 LYS A 39 8.903 -11.323 19.908 1.00 2.21 H new ATOM 0 HE3 LYS A 39 7.702 -10.141 20.387 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 7.270 -12.287 21.394 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 6.008 -11.881 20.333 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 7.173 -13.026 19.869 1.00 31.32 H new ATOM 643 N VAL A 40 8.293 -12.695 13.651 1.00 13.33 N ATOM 644 CA VAL A 40 7.535 -12.954 12.433 1.00 41.44 C ATOM 645 C VAL A 40 6.426 -11.924 12.248 1.00 63.31 C ATOM 646 O VAL A 40 5.850 -11.432 13.218 1.00 63.13 O ATOM 647 CB VAL A 40 6.913 -14.363 12.448 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.926 -14.500 13.598 1.00 55.31 C ATOM 649 CG2 VAL A 40 6.239 -14.662 11.118 1.00 51.40 C ATOM 0 H VAL A 40 8.299 -13.468 14.317 1.00 13.33 H new ATOM 0 HA VAL A 40 8.237 -12.883 11.602 1.00 41.44 H new ATOM 0 HB VAL A 40 7.710 -15.091 12.597 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.497 -15.502 13.592 1.00 55.31 H new ATOM 0 HG12 VAL A 40 6.443 -14.332 14.543 1.00 55.31 H new ATOM 0 HG13 VAL A 40 5.130 -13.764 13.484 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.805 -15.662 11.147 1.00 51.40 H new ATOM 0 HG22 VAL A 40 5.452 -13.930 10.936 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.976 -14.609 10.317 1.00 51.40 H new ATOM 659 N VAL A 41 6.130 -11.601 10.992 1.00 34.35 N ATOM 660 CA VAL A 41 5.089 -10.630 10.677 1.00 44.34 C ATOM 661 C VAL A 41 4.034 -11.234 9.757 1.00 12.15 C ATOM 662 O VAL A 41 2.918 -10.725 9.655 1.00 4.11 O ATOM 663 CB VAL A 41 5.677 -9.373 10.010 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.798 -9.572 8.507 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.825 -8.153 10.328 1.00 22.42 C ATOM 0 H VAL A 41 6.597 -11.998 10.177 1.00 34.35 H new ATOM 0 HA VAL A 41 4.624 -10.347 11.621 1.00 44.34 H new ATOM 0 HB VAL A 41 6.676 -9.204 10.411 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.215 -8.673 8.053 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.453 -10.419 8.304 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.812 -9.767 8.085 1.00 40.14 H new ATOM 0 HG21 VAL A 41 5.255 -7.274 9.849 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.812 -8.310 9.957 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.796 -8.000 11.407 1.00 22.42 H new ATOM 675 N LYS A 42 4.395 -12.324 9.088 1.00 42.43 N ATOM 676 CA LYS A 42 3.480 -13.001 8.177 1.00 33.55 C ATOM 677 C LYS A 42 4.102 -14.284 7.636 1.00 43.41 C ATOM 678 O LYS A 42 5.308 -14.496 7.748 1.00 1.03 O ATOM 679 CB LYS A 42 3.105 -12.075 7.017 1.00 52.12 C ATOM 680 CG LYS A 42 1.804 -12.455 6.331 1.00 64.32 C ATOM 681 CD LYS A 42 0.887 -11.255 6.168 1.00 52.31 C ATOM 682 CE LYS A 42 0.181 -10.914 7.471 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.201 -11.469 7.514 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.316 -12.757 9.160 1.00 42.43 H new ATOM 0 HA LYS A 42 2.579 -13.261 8.733 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.025 -11.054 7.390 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.910 -12.083 6.282 1.00 52.12 H new ATOM 0 HG2 LYS A 42 2.020 -12.884 5.353 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.297 -13.225 6.912 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.467 -10.396 5.831 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.147 -11.463 5.395 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.756 -11.306 8.309 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.142 -9.831 7.590 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.649 -11.215 8.418 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -1.758 -11.075 6.729 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.162 -12.505 7.426 1.00 13.02 H new ATOM 697 N ASN A 43 3.269 -15.137 7.047 1.00 34.54 N ATOM 698 CA ASN A 43 3.738 -16.400 6.488 1.00 55.25 C ATOM 699 C ASN A 43 3.556 -16.425 4.973 1.00 40.53 C ATOM 700 O ASN A 43 2.677 -15.754 4.432 1.00 31.40 O ATOM 701 CB ASN A 43 2.987 -17.572 7.122 1.00 53.41 C ATOM 702 CG ASN A 43 1.574 -17.204 7.527 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.620 -17.447 6.786 1.00 24.42 O ATOM 704 ND2 ASN A 43 1.431 -16.610 8.706 1.00 72.11 N ATOM 0 H ASN A 43 2.267 -14.976 6.945 1.00 34.54 H new ATOM 0 HA ASN A 43 4.801 -16.495 6.710 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.955 -18.403 6.417 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.534 -17.919 7.999 1.00 53.41 H new ATOM 0 HD21 ASN A 43 0.503 -16.336 9.030 1.00 72.11 H new ATOM 0 HD22 ASN A 43 2.249 -16.428 9.288 1.00 72.11 H new ATOM 711 N TRP A 44 4.391 -17.204 4.296 1.00 22.12 N ATOM 712 CA TRP A 44 4.323 -17.317 2.843 1.00 23.21 C ATOM 713 C TRP A 44 4.359 -18.777 2.408 1.00 15.33 C ATOM 714 O TRP A 44 4.956 -19.621 3.078 1.00 44.21 O ATOM 715 CB TRP A 44 5.477 -16.550 2.196 1.00 45.14 C ATOM 716 CG TRP A 44 5.030 -15.353 1.413 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.869 -15.272 0.059 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.690 -14.065 1.937 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.449 -14.011 -0.290 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.330 -13.252 0.844 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.651 -13.520 3.223 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.939 -11.925 1.000 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.263 -12.202 3.376 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.911 -11.417 2.270 1.00 1.02 C ATOM 0 H TRP A 44 5.123 -17.767 4.729 1.00 22.12 H new ATOM 0 HA TRP A 44 3.379 -16.883 2.514 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.171 -16.229 2.973 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.026 -17.222 1.537 1.00 45.14 H new ATOM 0 HD1 TRP A 44 5.046 -16.080 -0.635 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.257 -13.692 -1.240 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.919 -14.118 4.082 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.667 -11.318 0.149 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.231 -11.770 4.365 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.612 -10.391 2.423 1.00 1.02 H new ATOM 735 N VAL A 45 3.715 -19.072 1.283 1.00 5.25 N ATOM 736 CA VAL A 45 3.675 -20.432 0.758 1.00 60.54 C ATOM 737 C VAL A 45 4.152 -20.477 -0.689 1.00 5.42 C ATOM 738 O VAL A 45 3.815 -19.606 -1.491 1.00 33.13 O ATOM 739 CB VAL A 45 2.255 -21.023 0.838 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.207 -22.388 0.169 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.798 -21.114 2.287 1.00 33.43 C ATOM 0 H VAL A 45 3.214 -18.387 0.717 1.00 5.25 H new ATOM 0 HA VAL A 45 4.344 -21.030 1.377 1.00 60.54 H new ATOM 0 HB VAL A 45 1.573 -20.360 0.306 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.196 -22.790 0.235 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.491 -22.290 -0.879 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.900 -23.064 0.671 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.793 -21.534 2.326 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.481 -21.755 2.844 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.793 -20.118 2.730 1.00 33.43 H new ATOM 751 N MET A 46 4.938 -21.497 -1.016 1.00 62.23 N ATOM 752 CA MET A 46 5.460 -21.657 -2.368 1.00 35.14 C ATOM 753 C MET A 46 4.651 -22.692 -3.145 1.00 72.04 C ATOM 754 O MET A 46 4.880 -23.894 -3.017 1.00 51.41 O ATOM 755 CB MET A 46 6.932 -22.071 -2.325 1.00 33.01 C ATOM 756 CG MET A 46 7.812 -21.286 -3.286 1.00 43.13 C ATOM 757 SD MET A 46 8.626 -19.885 -2.495 1.00 65.24 S ATOM 758 CE MET A 46 10.290 -20.522 -2.308 1.00 25.52 C ATOM 0 H MET A 46 5.228 -22.225 -0.363 1.00 62.23 H new ATOM 0 HA MET A 46 5.375 -20.698 -2.878 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.309 -21.940 -1.311 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.009 -23.133 -2.559 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.567 -21.950 -3.706 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.205 -20.927 -4.117 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.512 -20.653 -1.249 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.372 -21.482 -2.818 1.00 25.52 H new ATOM 0 HE3 MET A 46 11.000 -19.819 -2.743 1.00 25.52 H new ATOM 768 N ASP A 47 3.707 -22.217 -3.949 1.00 71.12 N ATOM 769 CA ASP A 47 2.866 -23.101 -4.746 1.00 32.40 C ATOM 770 C ASP A 47 3.563 -23.490 -6.046 1.00 53.15 C ATOM 771 O ASP A 47 3.456 -22.791 -7.055 1.00 2.25 O ATOM 772 CB ASP A 47 1.528 -22.428 -5.054 1.00 13.44 C ATOM 773 CG ASP A 47 0.374 -23.410 -5.068 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.403 -24.347 -5.892 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.559 -23.243 -4.254 1.00 72.40 O ATOM 0 H ASP A 47 3.505 -21.224 -4.066 1.00 71.12 H new ATOM 0 HA ASP A 47 2.684 -24.006 -4.167 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.334 -21.655 -4.310 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.589 -21.931 -6.022 1.00 13.44 H new ATOM 780 N LEU A 48 4.281 -24.608 -6.015 1.00 3.45 N ATOM 781 CA LEU A 48 4.998 -25.090 -7.191 1.00 34.13 C ATOM 782 C LEU A 48 4.064 -25.853 -8.124 1.00 74.54 C ATOM 783 O LEU A 48 4.465 -26.284 -9.206 1.00 65.54 O ATOM 784 CB LEU A 48 6.162 -25.988 -6.769 1.00 41.41 C ATOM 785 CG LEU A 48 7.349 -25.284 -6.111 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.033 -24.949 -4.660 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.598 -26.149 -6.200 1.00 24.33 C ATOM 0 H LEU A 48 4.382 -25.197 -5.189 1.00 3.45 H new ATOM 0 HA LEU A 48 5.389 -24.226 -7.727 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.782 -26.740 -6.077 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.523 -26.519 -7.650 1.00 41.41 H new ATOM 0 HG LEU A 48 7.537 -24.353 -6.646 1.00 71.10 H new ATOM 0 HD11 LEU A 48 7.889 -24.448 -4.207 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.165 -24.291 -4.619 1.00 72.14 H new ATOM 0 HD13 LEU A 48 6.819 -25.867 -4.113 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.433 -25.632 -5.727 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.422 -27.096 -5.690 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.835 -26.339 -7.247 1.00 24.33 H new ATOM 799 N LYS A 49 2.815 -26.015 -7.699 1.00 53.41 N ATOM 800 CA LYS A 49 1.821 -26.723 -8.499 1.00 44.45 C ATOM 801 C LYS A 49 1.144 -25.779 -9.487 1.00 13.33 C ATOM 802 O LYS A 49 1.153 -26.019 -10.693 1.00 1.23 O ATOM 803 CB LYS A 49 0.770 -27.365 -7.590 1.00 43.22 C ATOM 804 CG LYS A 49 0.740 -28.881 -7.670 1.00 30.32 C ATOM 805 CD LYS A 49 -0.479 -29.453 -6.968 1.00 53.45 C ATOM 806 CE LYS A 49 -0.144 -30.741 -6.230 1.00 64.21 C ATOM 807 NZ LYS A 49 -1.344 -31.335 -5.580 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.467 -25.666 -6.806 1.00 53.41 H new ATOM 0 HA LYS A 49 2.333 -27.503 -9.062 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.963 -27.068 -6.559 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.213 -26.976 -7.855 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.738 -29.191 -8.715 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.645 -29.288 -7.219 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.872 -28.720 -6.263 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.265 -29.645 -7.699 1.00 53.45 H new ATOM 0 HE2 LYS A 49 0.284 -31.460 -6.929 1.00 64.21 H new ATOM 0 HE3 LYS A 49 0.616 -30.540 -5.475 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -1.075 -32.211 -5.088 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -1.738 -30.659 -4.894 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -2.060 -31.551 -6.303 1.00 62.40 H new ATOM 821 N ASN A 50 0.562 -24.703 -8.967 1.00 2.35 N ATOM 822 CA ASN A 50 -0.118 -23.722 -9.806 1.00 41.40 C ATOM 823 C ASN A 50 0.853 -22.645 -10.278 1.00 40.41 C ATOM 824 O ASN A 50 0.518 -21.824 -11.133 1.00 2.41 O ATOM 825 CB ASN A 50 -1.276 -23.080 -9.038 1.00 14.33 C ATOM 826 CG ASN A 50 -2.629 -23.466 -9.604 1.00 4.31 C ATOM 827 OD1 ASN A 50 -3.108 -24.580 -9.392 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.251 -22.544 -10.331 1.00 4.23 N ATOM 0 H ASN A 50 0.547 -24.488 -7.970 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.513 -24.239 -10.681 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.224 -23.379 -7.991 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.170 -21.996 -9.065 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.163 -22.747 -10.739 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.816 -21.634 -10.481 1.00 4.23 H new ATOM 835 N VAL A 51 2.057 -22.653 -9.717 1.00 64.11 N ATOM 836 CA VAL A 51 3.078 -21.678 -10.082 1.00 54.52 C ATOM 837 C VAL A 51 2.712 -20.286 -9.580 1.00 42.10 C ATOM 838 O VAL A 51 2.766 -19.311 -10.330 1.00 10.33 O ATOM 839 CB VAL A 51 3.284 -21.626 -11.607 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.489 -20.764 -11.954 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.440 -23.029 -12.172 1.00 50.43 C ATOM 0 H VAL A 51 2.350 -23.324 -9.007 1.00 64.11 H new ATOM 0 HA VAL A 51 4.006 -21.998 -9.609 1.00 54.52 H new ATOM 0 HB VAL A 51 2.402 -21.174 -12.060 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.619 -20.739 -13.036 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.330 -19.751 -11.584 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.382 -21.184 -11.491 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.585 -22.973 -13.251 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.304 -23.511 -11.715 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.543 -23.610 -11.956 1.00 50.43 H new ATOM 851 N LYS A 52 2.339 -20.200 -8.308 1.00 54.43 N ATOM 852 CA LYS A 52 1.966 -18.927 -7.705 1.00 32.42 C ATOM 853 C LYS A 52 2.335 -18.897 -6.225 1.00 50.21 C ATOM 854 O LYS A 52 1.899 -19.748 -5.448 1.00 11.15 O ATOM 855 CB LYS A 52 0.464 -18.681 -7.871 1.00 21.22 C ATOM 856 CG LYS A 52 -0.048 -17.488 -7.083 1.00 10.13 C ATOM 857 CD LYS A 52 -1.306 -16.906 -7.707 1.00 32.21 C ATOM 858 CE LYS A 52 -2.004 -15.943 -6.758 1.00 73.31 C ATOM 859 NZ LYS A 52 -3.453 -16.255 -6.620 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.287 -20.998 -7.675 1.00 54.43 H new ATOM 0 HA LYS A 52 2.517 -18.137 -8.215 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.244 -18.529 -8.928 1.00 21.22 H new ATOM 0 HB3 LYS A 52 -0.079 -19.573 -7.557 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.256 -17.791 -6.057 1.00 10.13 H new ATOM 0 HG3 LYS A 52 0.725 -16.721 -7.038 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -1.049 -16.387 -8.630 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.988 -17.713 -7.975 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.528 -15.989 -5.779 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -1.885 -14.923 -7.123 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.893 -15.577 -5.966 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -3.913 -16.187 -7.550 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -3.567 -17.219 -6.248 1.00 35.03 H new ATOM 873 N LEU A 53 3.140 -17.912 -5.840 1.00 61.23 N ATOM 874 CA LEU A 53 3.567 -17.770 -4.452 1.00 12.34 C ATOM 875 C LEU A 53 2.517 -17.026 -3.633 1.00 64.35 C ATOM 876 O LEU A 53 2.433 -15.800 -3.679 1.00 64.45 O ATOM 877 CB LEU A 53 4.904 -17.030 -4.383 1.00 22.14 C ATOM 878 CG LEU A 53 6.135 -17.892 -4.100 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.473 -18.752 -5.306 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.319 -17.019 -3.714 1.00 42.33 C ATOM 0 H LEU A 53 3.510 -17.200 -6.470 1.00 61.23 H new ATOM 0 HA LEU A 53 3.689 -18.768 -4.031 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.058 -16.511 -5.329 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.834 -16.266 -3.608 1.00 22.14 H new ATOM 0 HG LEU A 53 5.909 -18.552 -3.263 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.352 -19.358 -5.086 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.630 -19.404 -5.536 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.680 -18.111 -6.163 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.186 -17.649 -3.516 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.547 -16.334 -4.530 1.00 42.33 H new ATOM 0 HD23 LEU A 53 7.073 -16.448 -2.819 1.00 42.33 H new ATOM 892 N VAL A 54 1.720 -17.778 -2.881 1.00 5.45 N ATOM 893 CA VAL A 54 0.677 -17.190 -2.047 1.00 41.23 C ATOM 894 C VAL A 54 1.159 -17.007 -0.613 1.00 45.12 C ATOM 895 O VAL A 54 2.267 -17.411 -0.264 1.00 72.40 O ATOM 896 CB VAL A 54 -0.595 -18.059 -2.045 1.00 72.04 C ATOM 897 CG1 VAL A 54 -1.000 -18.418 -3.466 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.382 -19.311 -1.208 1.00 11.01 C ATOM 0 H VAL A 54 1.776 -18.795 -2.832 1.00 5.45 H new ATOM 0 HA VAL A 54 0.441 -16.215 -2.474 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.406 -17.485 -1.598 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.900 -19.032 -3.444 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.197 -17.506 -4.030 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.194 -18.974 -3.945 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.290 -19.914 -1.217 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.442 -19.891 -1.624 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.145 -19.027 -0.183 1.00 11.01 H new ATOM 908 N GLU A 55 0.316 -16.397 0.215 1.00 21.23 N ATOM 909 CA GLU A 55 0.657 -16.162 1.613 1.00 34.21 C ATOM 910 C GLU A 55 -0.171 -17.053 2.533 1.00 31.12 C ATOM 911 O GLU A 55 -1.390 -16.902 2.630 1.00 24.40 O ATOM 912 CB GLU A 55 0.434 -14.691 1.975 1.00 60.31 C ATOM 913 CG GLU A 55 -0.886 -14.134 1.470 1.00 21.34 C ATOM 914 CD GLU A 55 -1.440 -13.042 2.366 1.00 40.15 C ATOM 915 OE1 GLU A 55 -0.692 -12.560 3.243 1.00 15.53 O ATOM 916 OE2 GLU A 55 -2.619 -12.671 2.191 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.606 -16.057 -0.058 1.00 21.23 H new ATOM 0 HA GLU A 55 1.710 -16.408 1.749 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.474 -14.582 3.059 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.250 -14.097 1.565 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -0.748 -13.738 0.464 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.613 -14.943 1.397 1.00 21.34 H new ATOM 923 N SER A 56 0.498 -17.983 3.207 1.00 73.41 N ATOM 924 CA SER A 56 -0.176 -18.903 4.115 1.00 43.24 C ATOM 925 C SER A 56 0.834 -19.636 4.994 1.00 1.33 C ATOM 926 O SER A 56 2.035 -19.616 4.726 1.00 11.10 O ATOM 927 CB SER A 56 -1.010 -19.914 3.326 1.00 44.34 C ATOM 928 OG SER A 56 -2.377 -19.540 3.303 1.00 12.25 O ATOM 0 H SER A 56 1.507 -18.119 3.141 1.00 73.41 H new ATOM 0 HA SER A 56 -0.837 -18.321 4.757 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.632 -19.985 2.306 1.00 44.34 H new ATOM 0 HB3 SER A 56 -0.908 -20.903 3.773 1.00 44.34 H new ATOM 0 HG SER A 56 -2.452 -18.588 3.083 1.00 12.25 H new ATOM 934 N ASP A 57 0.336 -20.281 6.043 1.00 31.32 N ATOM 935 CA ASP A 57 1.193 -21.021 6.963 1.00 71.22 C ATOM 936 C ASP A 57 0.752 -22.478 7.061 1.00 51.13 C ATOM 937 O ASP A 57 -0.361 -22.772 7.498 1.00 50.20 O ATOM 938 CB ASP A 57 1.172 -20.374 8.347 1.00 63.23 C ATOM 939 CG ASP A 57 -0.208 -19.876 8.733 1.00 3.54 C ATOM 940 OD1 ASP A 57 -1.124 -20.715 8.875 1.00 34.13 O ATOM 941 OD2 ASP A 57 -0.372 -18.649 8.893 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.656 -20.307 6.278 1.00 31.32 H new ATOM 0 HA ASP A 57 2.211 -20.993 6.575 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.515 -21.096 9.088 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.874 -19.541 8.366 1.00 63.23 H new ATOM 946 N ASP A 58 1.632 -23.386 6.654 1.00 42.15 N ATOM 947 CA ASP A 58 1.333 -24.813 6.696 1.00 13.22 C ATOM 948 C ASP A 58 2.615 -25.633 6.815 1.00 50.02 C ATOM 949 O ASP A 58 3.709 -25.134 6.551 1.00 32.03 O ATOM 950 CB ASP A 58 0.559 -25.232 5.446 1.00 32.33 C ATOM 951 CG ASP A 58 -0.345 -24.130 4.928 1.00 34.24 C ATOM 952 OD1 ASP A 58 0.173 -23.190 4.289 1.00 62.33 O ATOM 953 OD2 ASP A 58 -1.569 -24.208 5.160 1.00 21.22 O1- ATOM 0 H ASP A 58 2.558 -23.160 6.291 1.00 42.15 H new ATOM 0 HA ASP A 58 0.717 -25.004 7.575 1.00 13.22 H new ATOM 0 HB2 ASP A 58 1.263 -25.517 4.665 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.041 -26.114 5.672 1.00 32.33 H new ATOM 958 N ALA A 59 2.470 -26.892 7.213 1.00 54.42 N ATOM 959 CA ALA A 59 3.616 -27.782 7.365 1.00 64.04 C ATOM 960 C ALA A 59 4.136 -28.243 6.008 1.00 23.53 C ATOM 961 O ALA A 59 3.690 -29.257 5.474 1.00 64.14 O ATOM 962 CB ALA A 59 3.243 -28.980 8.225 1.00 20.01 C ATOM 0 H ALA A 59 1.571 -27.319 7.436 1.00 54.42 H new ATOM 0 HA ALA A 59 4.413 -27.227 7.861 1.00 64.04 H new ATOM 0 HB1 ALA A 59 4.107 -29.636 8.330 1.00 20.01 H new ATOM 0 HB2 ALA A 59 2.926 -28.636 9.210 1.00 20.01 H new ATOM 0 HB3 ALA A 59 2.428 -29.528 7.752 1.00 20.01 H new ATOM 968 N ALA A 60 5.082 -27.491 5.455 1.00 25.42 N ATOM 969 CA ALA A 60 5.665 -27.824 4.161 1.00 52.24 C ATOM 970 C ALA A 60 6.904 -28.699 4.325 1.00 52.10 C ATOM 971 O ALA A 60 7.511 -28.735 5.394 1.00 32.51 O ATOM 972 CB ALA A 60 6.010 -26.556 3.395 1.00 60.25 C ATOM 0 H ALA A 60 5.461 -26.647 5.883 1.00 25.42 H new ATOM 0 HA ALA A 60 4.926 -28.389 3.593 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.444 -26.820 2.431 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.105 -25.969 3.237 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.728 -25.969 3.968 1.00 60.25 H new ATOM 978 N GLU A 61 7.270 -29.404 3.259 1.00 12.15 N ATOM 979 CA GLU A 61 8.435 -30.279 3.286 1.00 60.24 C ATOM 980 C GLU A 61 9.716 -29.475 3.488 1.00 60.45 C ATOM 981 O GLU A 61 10.711 -29.989 3.997 1.00 34.32 O ATOM 982 CB GLU A 61 8.525 -31.086 1.989 1.00 40.01 C ATOM 983 CG GLU A 61 8.557 -32.589 2.209 1.00 60.43 C ATOM 984 CD GLU A 61 7.281 -33.114 2.840 1.00 63.55 C ATOM 985 OE1 GLU A 61 6.188 -32.692 2.408 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 7.377 -33.947 3.765 1.00 10.35 O ATOM 0 H GLU A 61 6.776 -29.386 2.367 1.00 12.15 H new ATOM 0 HA GLU A 61 8.322 -30.965 4.125 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.673 -30.838 1.357 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.422 -30.787 1.447 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.718 -33.089 1.254 1.00 60.43 H new ATOM 0 HG3 GLU A 61 9.404 -32.841 2.847 1.00 60.43 H new ATOM 993 N ALA A 62 9.683 -28.210 3.084 1.00 4.02 N ATOM 994 CA ALA A 62 10.839 -27.332 3.220 1.00 60.23 C ATOM 995 C ALA A 62 10.420 -25.937 3.670 1.00 52.32 C ATOM 996 O ALA A 62 9.589 -25.291 3.031 1.00 12.21 O ATOM 997 CB ALA A 62 11.603 -27.259 1.908 1.00 14.02 C ATOM 0 H ALA A 62 8.867 -27.769 2.659 1.00 4.02 H new ATOM 0 HA ALA A 62 11.493 -27.750 3.985 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.463 -26.600 2.024 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.944 -28.256 1.630 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.950 -26.868 1.128 1.00 14.02 H new ATOM 1003 N THR A 63 10.999 -25.477 4.774 1.00 64.23 N ATOM 1004 CA THR A 63 10.684 -24.158 5.310 1.00 11.41 C ATOM 1005 C THR A 63 11.882 -23.221 5.203 1.00 73.24 C ATOM 1006 O THR A 63 12.965 -23.520 5.707 1.00 53.04 O ATOM 1007 CB THR A 63 10.243 -24.242 6.783 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.987 -24.924 6.880 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.120 -22.853 7.391 1.00 45.10 C ATOM 0 H THR A 63 11.689 -25.998 5.315 1.00 64.23 H new ATOM 0 HA THR A 63 9.862 -23.762 4.714 1.00 11.41 H new ATOM 0 HB THR A 63 11.001 -24.797 7.335 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.714 -24.975 7.820 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.807 -22.938 8.432 1.00 45.10 H new ATOM 0 HG22 THR A 63 11.085 -22.348 7.342 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.380 -22.277 6.836 1.00 45.10 H new ATOM 1017 N LEU A 64 11.681 -22.085 4.543 1.00 31.21 N ATOM 1018 CA LEU A 64 12.744 -21.102 4.370 1.00 23.22 C ATOM 1019 C LEU A 64 12.420 -19.813 5.117 1.00 10.31 C ATOM 1020 O LEU A 64 11.586 -19.020 4.678 1.00 34.35 O ATOM 1021 CB LEU A 64 12.955 -20.806 2.885 1.00 42.20 C ATOM 1022 CG LEU A 64 13.042 -22.022 1.964 1.00 33.54 C ATOM 1023 CD1 LEU A 64 13.795 -23.155 2.644 1.00 24.14 C ATOM 1024 CD2 LEU A 64 11.650 -22.478 1.549 1.00 33.52 C ATOM 0 H LEU A 64 10.791 -21.822 4.119 1.00 31.21 H new ATOM 0 HA LEU A 64 13.662 -21.519 4.784 1.00 23.22 H new ATOM 0 HB2 LEU A 64 12.137 -20.173 2.541 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.872 -20.227 2.777 1.00 42.20 H new ATOM 0 HG LEU A 64 13.591 -21.735 1.067 1.00 33.54 H new ATOM 0 HD11 LEU A 64 13.847 -24.012 1.973 1.00 24.14 H new ATOM 0 HD12 LEU A 64 14.804 -22.825 2.890 1.00 24.14 H new ATOM 0 HD13 LEU A 64 13.274 -23.441 3.558 1.00 24.14 H new ATOM 0 HD21 LEU A 64 11.732 -23.345 0.893 1.00 33.52 H new ATOM 0 HD22 LEU A 64 11.076 -22.746 2.436 1.00 33.52 H new ATOM 0 HD23 LEU A 64 11.145 -21.670 1.020 1.00 33.52 H new ATOM 1036 N THR A 65 13.086 -19.606 6.250 1.00 71.33 N ATOM 1037 CA THR A 65 12.871 -18.412 7.057 1.00 73.12 C ATOM 1038 C THR A 65 13.952 -17.371 6.798 1.00 14.11 C ATOM 1039 O THR A 65 15.142 -17.651 6.933 1.00 44.01 O ATOM 1040 CB THR A 65 12.846 -18.748 8.559 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.210 -20.013 8.769 1.00 70.01 O ATOM 1042 CG2 THR A 65 12.112 -17.670 9.343 1.00 42.34 C ATOM 0 H THR A 65 13.779 -20.251 6.629 1.00 71.33 H new ATOM 0 HA THR A 65 11.903 -18.004 6.767 1.00 73.12 H new ATOM 0 HB THR A 65 13.875 -18.797 8.914 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.892 -20.704 8.901 1.00 70.01 H new ATOM 0 HG21 THR A 65 12.107 -17.929 10.402 1.00 42.34 H new ATOM 0 HG22 THR A 65 12.616 -16.713 9.206 1.00 42.34 H new ATOM 0 HG23 THR A 65 11.086 -17.594 8.984 1.00 42.34 H new ATOM 1050 N MET A 66 13.531 -16.166 6.425 1.00 44.23 N ATOM 1051 CA MET A 66 14.466 -15.082 6.150 1.00 35.33 C ATOM 1052 C MET A 66 13.809 -13.724 6.386 1.00 74.32 C ATOM 1053 O MET A 66 12.637 -13.531 6.069 1.00 1.23 O ATOM 1054 CB MET A 66 14.974 -15.172 4.710 1.00 73.33 C ATOM 1055 CG MET A 66 16.181 -16.082 4.547 1.00 31.14 C ATOM 1056 SD MET A 66 16.053 -17.150 3.099 1.00 74.11 S ATOM 1057 CE MET A 66 15.515 -15.976 1.858 1.00 64.32 C ATOM 0 H MET A 66 12.549 -15.917 6.307 1.00 44.23 H new ATOM 0 HA MET A 66 15.310 -15.181 6.833 1.00 35.33 H new ATOM 0 HB2 MET A 66 14.168 -15.533 4.071 1.00 73.33 H new ATOM 0 HB3 MET A 66 15.233 -14.172 4.362 1.00 73.33 H new ATOM 0 HG2 MET A 66 17.082 -15.474 4.467 1.00 31.14 H new ATOM 0 HG3 MET A 66 16.290 -16.698 5.440 1.00 31.14 H new ATOM 0 HE1 MET A 66 15.544 -16.446 0.875 1.00 64.32 H new ATOM 0 HE2 MET A 66 14.496 -15.656 2.077 1.00 64.32 H new ATOM 0 HE3 MET A 66 16.177 -15.110 1.866 1.00 64.32 H new ATOM 1067 N GLU A 67 14.574 -12.791 6.943 1.00 74.44 N ATOM 1068 CA GLU A 67 14.064 -11.454 7.222 1.00 65.21 C ATOM 1069 C GLU A 67 13.847 -10.674 5.928 1.00 21.25 C ATOM 1070 O GLU A 67 14.454 -10.975 4.900 1.00 71.54 O ATOM 1071 CB GLU A 67 15.032 -10.694 8.131 1.00 61.44 C ATOM 1072 CG GLU A 67 15.188 -11.317 9.508 1.00 20.41 C ATOM 1073 CD GLU A 67 14.768 -10.380 10.624 1.00 50.14 C ATOM 1074 OE1 GLU A 67 13.854 -9.560 10.398 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 15.354 -10.467 11.724 1.00 70.53 O ATOM 0 H GLU A 67 15.548 -12.936 7.210 1.00 74.44 H new ATOM 0 HA GLU A 67 13.105 -11.557 7.730 1.00 65.21 H new ATOM 0 HB2 GLU A 67 16.009 -10.647 7.650 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.682 -9.668 8.243 1.00 61.44 H new ATOM 0 HG2 GLU A 67 14.592 -12.228 9.560 1.00 20.41 H new ATOM 0 HG3 GLU A 67 16.228 -11.608 9.655 1.00 20.41 H new ATOM 1082 N ASP A 68 12.977 -9.671 5.987 1.00 21.12 N ATOM 1083 CA ASP A 68 12.678 -8.848 4.822 1.00 71.10 C ATOM 1084 C ASP A 68 13.963 -8.400 4.130 1.00 24.42 C ATOM 1085 O ASP A 68 14.159 -8.651 2.942 1.00 74.24 O ATOM 1086 CB ASP A 68 11.852 -7.627 5.231 1.00 64.02 C ATOM 1087 CG ASP A 68 10.623 -7.444 4.363 1.00 31.40 C ATOM 1088 OD1 ASP A 68 10.032 -8.462 3.949 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 10.253 -6.280 4.097 1.00 12.13 O ATOM 0 H ASP A 68 12.467 -9.409 6.830 1.00 21.12 H new ATOM 0 HA ASP A 68 12.099 -9.450 4.121 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.546 -7.731 6.272 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.474 -6.734 5.169 1.00 64.02 H new ATOM 1094 N ASP A 69 14.832 -7.735 4.883 1.00 45.41 N ATOM 1095 CA ASP A 69 16.097 -7.251 4.342 1.00 14.54 C ATOM 1096 C ASP A 69 16.830 -8.362 3.598 1.00 22.43 C ATOM 1097 O ASP A 69 17.523 -8.110 2.611 1.00 53.21 O ATOM 1098 CB ASP A 69 16.980 -6.705 5.466 1.00 1.15 C ATOM 1099 CG ASP A 69 16.849 -7.505 6.747 1.00 54.42 C ATOM 1100 OD1 ASP A 69 15.841 -7.321 7.460 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 17.755 -8.315 7.036 1.00 74.02 O ATOM 0 H ASP A 69 14.684 -7.519 5.869 1.00 45.41 H new ATOM 0 HA ASP A 69 15.880 -6.448 3.637 1.00 14.54 H new ATOM 0 HB2 ASP A 69 18.021 -6.712 5.142 1.00 1.15 H new ATOM 0 HB3 ASP A 69 16.714 -5.666 5.661 1.00 1.15 H new ATOM 1106 N ILE A 70 16.675 -9.592 4.077 1.00 1.14 N ATOM 1107 CA ILE A 70 17.322 -10.741 3.456 1.00 43.35 C ATOM 1108 C ILE A 70 16.503 -11.264 2.280 1.00 31.44 C ATOM 1109 O ILE A 70 17.030 -11.932 1.392 1.00 24.31 O ATOM 1110 CB ILE A 70 17.534 -11.882 4.468 1.00 13.31 C ATOM 1111 CG1 ILE A 70 18.693 -11.551 5.409 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.793 -13.194 3.740 1.00 11.14 C ATOM 1113 CD1 ILE A 70 20.046 -11.575 4.733 1.00 73.31 C ATOM 0 H ILE A 70 16.107 -9.818 4.893 1.00 1.14 H new ATOM 0 HA ILE A 70 18.293 -10.401 3.096 1.00 43.35 H new ATOM 0 HB ILE A 70 16.628 -11.992 5.064 1.00 13.31 H new ATOM 0 HG12 ILE A 70 18.529 -10.564 5.841 1.00 2.20 H new ATOM 0 HG13 ILE A 70 18.695 -12.263 6.234 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.941 -13.991 4.468 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.938 -13.434 3.108 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.686 -13.097 3.122 1.00 11.14 H new ATOM 0 HD11 ILE A 70 20.820 -11.331 5.460 1.00 73.31 H new ATOM 0 HD12 ILE A 70 20.231 -12.569 4.325 1.00 73.31 H new ATOM 0 HD13 ILE A 70 20.063 -10.843 3.926 1.00 73.31 H new ATOM 1125 N MET A 71 15.211 -10.954 2.283 1.00 71.51 N ATOM 1126 CA MET A 71 14.319 -11.390 1.214 1.00 43.30 C ATOM 1127 C MET A 71 14.764 -10.824 -0.131 1.00 65.43 C ATOM 1128 O MET A 71 14.943 -11.563 -1.098 1.00 75.00 O ATOM 1129 CB MET A 71 12.882 -10.960 1.512 1.00 72.31 C ATOM 1130 CG MET A 71 11.876 -11.444 0.481 1.00 1.33 C ATOM 1131 SD MET A 71 11.888 -13.237 0.286 1.00 74.13 S ATOM 1132 CE MET A 71 11.790 -13.763 1.996 1.00 31.24 C ATOM 0 H MET A 71 14.758 -10.403 3.012 1.00 71.51 H new ATOM 0 HA MET A 71 14.361 -12.478 1.161 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.595 -11.338 2.493 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.841 -9.872 1.565 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.877 -11.121 0.774 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.093 -10.977 -0.480 1.00 1.33 H new ATOM 0 HE1 MET A 71 12.774 -14.090 2.333 1.00 31.24 H new ATOM 0 HE2 MET A 71 11.453 -12.931 2.614 1.00 31.24 H new ATOM 0 HE3 MET A 71 11.084 -14.589 2.083 1.00 31.24 H new ATOM 1142 N PHE A 72 14.938 -9.508 -0.184 1.00 41.54 N ATOM 1143 CA PHE A 72 15.360 -8.841 -1.411 1.00 22.30 C ATOM 1144 C PHE A 72 16.796 -9.216 -1.766 1.00 43.01 C ATOM 1145 O PHE A 72 17.172 -9.236 -2.939 1.00 63.32 O ATOM 1146 CB PHE A 72 15.241 -7.324 -1.259 1.00 44.00 C ATOM 1147 CG PHE A 72 16.357 -6.710 -0.464 1.00 52.50 C ATOM 1148 CD1 PHE A 72 17.631 -6.605 -1.000 1.00 2.12 C ATOM 1149 CD2 PHE A 72 16.133 -6.240 0.819 1.00 61.23 C ATOM 1150 CE1 PHE A 72 18.660 -6.040 -0.271 1.00 51.42 C ATOM 1151 CE2 PHE A 72 17.159 -5.675 1.554 1.00 44.43 C ATOM 1152 CZ PHE A 72 18.424 -5.576 1.009 1.00 61.11 C ATOM 0 H PHE A 72 14.793 -8.882 0.608 1.00 41.54 H new ATOM 0 HA PHE A 72 14.706 -9.171 -2.218 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.218 -6.869 -2.249 1.00 44.00 H new ATOM 0 HB3 PHE A 72 14.291 -7.089 -0.778 1.00 44.00 H new ATOM 0 HD1 PHE A 72 17.822 -6.969 -1.999 1.00 2.12 H new ATOM 0 HD2 PHE A 72 15.146 -6.316 1.251 1.00 61.23 H new ATOM 0 HE1 PHE A 72 19.647 -5.961 -0.701 1.00 51.42 H new ATOM 0 HE2 PHE A 72 16.971 -5.311 2.553 1.00 44.43 H new ATOM 0 HZ PHE A 72 19.227 -5.137 1.582 1.00 61.11 H new ATOM 1162 N ALA A 73 17.594 -9.513 -0.746 1.00 72.11 N ATOM 1163 CA ALA A 73 18.988 -9.889 -0.951 1.00 15.10 C ATOM 1164 C ALA A 73 19.100 -11.308 -1.494 1.00 3.03 C ATOM 1165 O ALA A 73 19.629 -11.524 -2.586 1.00 20.54 O ATOM 1166 CB ALA A 73 19.766 -9.757 0.351 1.00 40.23 C ATOM 0 H ALA A 73 17.300 -9.501 0.230 1.00 72.11 H new ATOM 0 HA ALA A 73 19.417 -9.211 -1.689 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.805 -10.041 0.184 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.723 -8.724 0.698 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.328 -10.411 1.105 1.00 40.23 H new ATOM 1172 N ILE A 74 18.599 -12.273 -0.730 1.00 62.02 N ATOM 1173 CA ILE A 74 18.643 -13.671 -1.137 1.00 2.11 C ATOM 1174 C ILE A 74 17.907 -13.883 -2.455 1.00 5.14 C ATOM 1175 O ILE A 74 18.417 -14.534 -3.365 1.00 43.34 O ATOM 1176 CB ILE A 74 18.027 -14.589 -0.064 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.004 -14.778 1.098 1.00 44.31 C ATOM 1178 CG2 ILE A 74 17.650 -15.932 -0.670 1.00 21.22 C ATOM 1179 CD1 ILE A 74 20.138 -15.728 0.786 1.00 30.22 C ATOM 0 H ILE A 74 18.158 -12.111 0.175 1.00 62.02 H new ATOM 0 HA ILE A 74 19.694 -13.930 -1.265 1.00 2.11 H new ATOM 0 HB ILE A 74 17.122 -14.119 0.320 1.00 11.55 H new ATOM 0 HG12 ILE A 74 19.419 -13.809 1.375 1.00 44.31 H new ATOM 0 HG13 ILE A 74 18.457 -15.150 1.965 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.216 -16.570 0.100 1.00 21.22 H new ATOM 0 HG22 ILE A 74 16.923 -15.780 -1.467 1.00 21.22 H new ATOM 0 HG23 ILE A 74 18.541 -16.410 -1.078 1.00 21.22 H new ATOM 0 HD11 ILE A 74 20.791 -15.813 1.655 1.00 30.22 H new ATOM 0 HD12 ILE A 74 19.733 -16.709 0.539 1.00 30.22 H new ATOM 0 HD13 ILE A 74 20.709 -15.347 -0.061 1.00 30.22 H new ATOM 1191 N GLY A 75 16.703 -13.327 -2.550 1.00 3.13 N ATOM 1192 CA GLY A 75 15.915 -13.466 -3.761 1.00 32.31 C ATOM 1193 C GLY A 75 16.680 -13.044 -5.001 1.00 1.25 C ATOM 1194 O GLY A 75 16.495 -13.612 -6.077 1.00 54.01 O ATOM 0 H GLY A 75 16.259 -12.783 -1.810 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.599 -14.504 -3.868 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.010 -12.864 -3.673 1.00 32.31 H new ATOM 1198 N THR A 76 17.542 -12.043 -4.851 1.00 53.52 N ATOM 1199 CA THR A 76 18.335 -11.543 -5.967 1.00 44.22 C ATOM 1200 C THR A 76 19.745 -12.120 -5.941 1.00 51.23 C ATOM 1201 O THR A 76 20.591 -11.754 -6.756 1.00 5.23 O ATOM 1202 CB THR A 76 18.421 -10.004 -5.950 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.024 -9.561 -4.730 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.039 -9.384 -6.094 1.00 74.33 C ATOM 0 H THR A 76 17.709 -11.562 -3.967 1.00 53.52 H new ATOM 0 HA THR A 76 17.832 -11.861 -6.880 1.00 44.22 H new ATOM 0 HB THR A 76 19.034 -9.686 -6.793 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.345 -9.136 -4.165 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.124 -8.297 -6.079 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.595 -9.700 -7.038 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.406 -9.709 -5.268 1.00 74.33 H new ATOM 1212 N GLY A 77 19.993 -13.024 -4.997 1.00 1.41 N ATOM 1213 CA GLY A 77 21.303 -13.637 -4.883 1.00 40.44 C ATOM 1214 C GLY A 77 22.390 -12.629 -4.571 1.00 21.42 C ATOM 1215 O GLY A 77 23.468 -12.664 -5.164 1.00 72.34 O ATOM 0 H GLY A 77 19.310 -13.342 -4.310 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.279 -14.395 -4.100 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.543 -14.149 -5.815 1.00 40.44 H new ATOM 1219 N ALA A 78 22.107 -11.725 -3.639 1.00 14.03 N ATOM 1220 CA ALA A 78 23.069 -10.702 -3.249 1.00 4.53 C ATOM 1221 C ALA A 78 23.895 -11.154 -2.049 1.00 51.42 C ATOM 1222 O ALA A 78 25.109 -10.949 -2.006 1.00 12.13 O ATOM 1223 CB ALA A 78 22.354 -9.396 -2.936 1.00 15.31 C ATOM 0 H ALA A 78 21.219 -11.680 -3.140 1.00 14.03 H new ATOM 0 HA ALA A 78 23.748 -10.541 -4.086 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.085 -8.641 -2.646 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.813 -9.057 -3.819 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.651 -9.553 -2.118 1.00 15.31 H new ATOM 1229 N LEU A 79 23.230 -11.768 -1.077 1.00 34.13 N ATOM 1230 CA LEU A 79 23.904 -12.249 0.125 1.00 54.32 C ATOM 1231 C LEU A 79 24.008 -13.771 0.118 1.00 62.35 C ATOM 1232 O LEU A 79 23.131 -14.476 -0.383 1.00 75.14 O ATOM 1233 CB LEU A 79 23.154 -11.783 1.374 1.00 45.25 C ATOM 1234 CG LEU A 79 23.485 -10.374 1.870 1.00 22.42 C ATOM 1235 CD1 LEU A 79 22.574 -9.986 3.024 1.00 41.33 C ATOM 1236 CD2 LEU A 79 24.946 -10.286 2.287 1.00 23.31 C ATOM 0 H LEU A 79 22.226 -11.945 -1.097 1.00 34.13 H new ATOM 0 HA LEU A 79 24.912 -11.835 0.138 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.084 -11.833 1.171 1.00 45.25 H new ATOM 0 HB3 LEU A 79 23.358 -12.488 2.180 1.00 45.25 H new ATOM 0 HG LEU A 79 23.318 -9.673 1.052 1.00 22.42 H new ATOM 0 HD11 LEU A 79 22.825 -8.981 3.363 1.00 41.33 H new ATOM 0 HD12 LEU A 79 21.536 -10.009 2.692 1.00 41.33 H new ATOM 0 HD13 LEU A 79 22.707 -10.690 3.845 1.00 41.33 H new ATOM 0 HD21 LEU A 79 25.164 -9.277 2.637 1.00 23.31 H new ATOM 0 HD22 LEU A 79 25.139 -10.998 3.089 1.00 23.31 H new ATOM 0 HD23 LEU A 79 25.583 -10.520 1.434 1.00 23.31 H new ATOM 1248 N PRO A 80 25.103 -14.292 0.691 1.00 14.00 N ATOM 1249 CA PRO A 80 25.347 -15.735 0.766 1.00 41.14 C ATOM 1250 C PRO A 80 24.393 -16.434 1.728 1.00 21.40 C ATOM 1251 O PRO A 80 24.435 -16.204 2.936 1.00 0.41 O ATOM 1252 CB PRO A 80 26.786 -15.825 1.280 1.00 72.45 C ATOM 1253 CG PRO A 80 27.003 -14.553 2.024 1.00 25.51 C ATOM 1254 CD PRO A 80 26.189 -13.511 1.309 1.00 63.44 C ATOM 0 HA PRO A 80 25.192 -16.226 -0.195 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.921 -16.691 1.928 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.494 -15.929 0.458 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.687 -14.650 3.063 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.059 -14.283 2.036 1.00 25.51 H new ATOM 0 HD2 PRO A 80 25.802 -12.760 1.998 1.00 63.44 H new ATOM 0 HD3 PRO A 80 26.780 -12.983 0.561 1.00 63.44 H new ATOM 1262 N ALA A 81 23.533 -17.290 1.185 1.00 32.45 N ATOM 1263 CA ALA A 81 22.569 -18.024 1.996 1.00 0.14 C ATOM 1264 C ALA A 81 23.271 -18.841 3.076 1.00 23.15 C ATOM 1265 O ALA A 81 22.731 -19.047 4.162 1.00 35.22 O ATOM 1266 CB ALA A 81 21.720 -18.929 1.115 1.00 1.12 C ATOM 0 H ALA A 81 23.484 -17.492 0.186 1.00 32.45 H new ATOM 0 HA ALA A 81 21.919 -17.301 2.489 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.004 -19.471 1.733 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.183 -18.325 0.383 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.363 -19.640 0.597 1.00 1.12 H new ATOM 1272 N LYS A 82 24.478 -19.303 2.770 1.00 52.31 N ATOM 1273 CA LYS A 82 25.255 -20.097 3.715 1.00 64.02 C ATOM 1274 C LYS A 82 25.759 -19.234 4.866 1.00 31.13 C ATOM 1275 O LYS A 82 25.543 -19.554 6.035 1.00 60.00 O ATOM 1276 CB LYS A 82 26.438 -20.759 3.005 1.00 15.40 C ATOM 1277 CG LYS A 82 26.285 -22.261 2.839 1.00 55.43 C ATOM 1278 CD LYS A 82 27.498 -22.874 2.158 1.00 25.31 C ATOM 1279 CE LYS A 82 27.934 -24.158 2.846 1.00 43.03 C ATOM 1280 NZ LYS A 82 29.050 -24.825 2.119 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.940 -19.142 1.875 1.00 52.31 H new ATOM 0 HA LYS A 82 24.604 -20.870 4.122 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.562 -20.304 2.022 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.349 -20.555 3.568 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.143 -22.723 3.816 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.391 -22.474 2.253 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.264 -23.081 1.114 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.321 -22.159 2.165 1.00 25.31 H new ATOM 0 HE2 LYS A 82 28.247 -23.935 3.866 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.086 -24.840 2.914 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 29.318 -25.696 2.619 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.744 -25.061 1.153 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 29.868 -24.184 2.076 1.00 1.31 H new ATOM 1294 N GLU A 83 26.429 -18.136 4.528 1.00 54.33 N ATOM 1295 CA GLU A 83 26.962 -17.227 5.536 1.00 72.13 C ATOM 1296 C GLU A 83 25.837 -16.617 6.368 1.00 22.30 C ATOM 1297 O GLU A 83 25.926 -16.547 7.594 1.00 41.13 O ATOM 1298 CB GLU A 83 27.779 -16.116 4.871 1.00 33.31 C ATOM 1299 CG GLU A 83 29.196 -16.001 5.405 1.00 73.20 C ATOM 1300 CD GLU A 83 30.161 -16.941 4.709 1.00 31.14 C ATOM 1301 OE1 GLU A 83 29.984 -17.181 3.496 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 31.092 -17.438 5.377 1.00 4.11 O ATOM 0 H GLU A 83 26.615 -17.855 3.565 1.00 54.33 H new ATOM 0 HA GLU A 83 27.611 -17.800 6.198 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.818 -16.298 3.797 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.267 -15.164 5.014 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.543 -14.975 5.284 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.196 -16.213 6.474 1.00 73.20 H new ATOM 1309 N ALA A 84 24.780 -16.179 5.693 1.00 31.35 N ATOM 1310 CA ALA A 84 23.638 -15.577 6.369 1.00 33.22 C ATOM 1311 C ALA A 84 23.141 -16.466 7.504 1.00 0.53 C ATOM 1312 O ALA A 84 22.979 -16.011 8.636 1.00 54.02 O ATOM 1313 CB ALA A 84 22.516 -15.311 5.376 1.00 63.32 C ATOM 0 H ALA A 84 24.691 -16.230 4.678 1.00 31.35 H new ATOM 0 HA ALA A 84 23.961 -14.629 6.799 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.670 -14.861 5.895 1.00 63.32 H new ATOM 0 HB2 ALA A 84 22.870 -14.631 4.601 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.204 -16.250 4.919 1.00 63.32 H new ATOM 1319 N MET A 85 22.900 -17.735 7.193 1.00 15.31 N ATOM 1320 CA MET A 85 22.422 -18.688 8.190 1.00 72.33 C ATOM 1321 C MET A 85 23.554 -19.117 9.118 1.00 13.11 C ATOM 1322 O MET A 85 23.318 -19.492 10.267 1.00 65.35 O ATOM 1323 CB MET A 85 21.816 -19.913 7.504 1.00 14.13 C ATOM 1324 CG MET A 85 20.479 -19.638 6.837 1.00 2.33 C ATOM 1325 SD MET A 85 20.136 -20.767 5.473 1.00 30.31 S ATOM 1326 CE MET A 85 19.892 -19.609 4.129 1.00 34.22 C ATOM 0 H MET A 85 23.027 -18.128 6.260 1.00 15.31 H new ATOM 0 HA MET A 85 21.653 -18.198 8.787 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.516 -20.283 6.756 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.688 -20.706 8.241 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.684 -19.719 7.579 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.466 -18.613 6.467 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.041 -20.119 3.177 1.00 34.22 H new ATOM 0 HE2 MET A 85 18.878 -19.210 4.172 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.608 -18.792 4.219 1.00 34.22 H new ATOM 1336 N ALA A 86 24.782 -19.060 8.613 1.00 22.40 N ATOM 1337 CA ALA A 86 25.948 -19.442 9.398 1.00 24.14 C ATOM 1338 C ALA A 86 26.069 -18.587 10.655 1.00 44.20 C ATOM 1339 O ALA A 86 26.537 -19.056 11.692 1.00 35.33 O ATOM 1340 CB ALA A 86 27.211 -19.326 8.557 1.00 41.43 C ATOM 0 H ALA A 86 24.994 -18.753 7.664 1.00 22.40 H new ATOM 0 HA ALA A 86 25.822 -20.480 9.707 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.075 -19.614 9.156 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.134 -19.984 7.692 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.331 -18.296 8.220 1.00 41.43 H new ATOM 1346 N GLN A 87 25.642 -17.333 10.555 1.00 21.33 N ATOM 1347 CA GLN A 87 25.703 -16.413 11.685 1.00 11.30 C ATOM 1348 C GLN A 87 24.421 -16.478 12.510 1.00 13.12 C ATOM 1349 O GLN A 87 24.036 -15.502 13.153 1.00 34.44 O ATOM 1350 CB GLN A 87 25.936 -14.983 11.193 1.00 62.44 C ATOM 1351 CG GLN A 87 27.266 -14.793 10.484 1.00 22.40 C ATOM 1352 CD GLN A 87 27.277 -13.576 9.580 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.047 -12.453 10.029 1.00 63.45 O ATOM 1354 NE2 GLN A 87 27.544 -13.793 8.297 1.00 23.23 N ATOM 0 H GLN A 87 25.250 -16.930 9.704 1.00 21.33 H new ATOM 0 HA GLN A 87 26.537 -16.711 12.320 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.129 -14.705 10.515 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.886 -14.303 12.043 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.058 -14.697 11.226 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.489 -15.682 9.893 1.00 22.40 H new ATOM 0 HE21 GLN A 87 27.729 -14.741 7.968 1.00 23.23 H new ATOM 0 HE22 GLN A 87 27.564 -13.012 7.641 1.00 23.23 H new ATOM 1363 N ASP A 88 23.766 -17.633 12.484 1.00 74.43 N ATOM 1364 CA ASP A 88 22.527 -17.825 13.230 1.00 30.11 C ATOM 1365 C ASP A 88 21.575 -16.653 13.015 1.00 61.34 C ATOM 1366 O ASP A 88 20.774 -16.321 13.889 1.00 12.20 O ATOM 1367 CB ASP A 88 22.825 -17.990 14.721 1.00 42.33 C ATOM 1368 CG ASP A 88 23.994 -18.921 14.979 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.799 -20.151 14.903 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 25.103 -18.418 15.257 1.00 73.51 O ATOM 0 H ASP A 88 24.071 -18.450 11.955 1.00 74.43 H new ATOM 0 HA ASP A 88 22.047 -18.731 12.861 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.039 -17.014 15.156 1.00 42.33 H new ATOM 0 HB3 ASP A 88 21.939 -18.376 15.225 1.00 42.33 H new ATOM 1375 N LYS A 89 21.670 -16.027 11.847 1.00 0.12 N ATOM 1376 CA LYS A 89 20.818 -14.890 11.516 1.00 50.20 C ATOM 1377 C LYS A 89 19.566 -15.347 10.774 1.00 23.34 C ATOM 1378 O LYS A 89 18.767 -14.528 10.322 1.00 54.12 O ATOM 1379 CB LYS A 89 21.589 -13.881 10.663 1.00 12.11 C ATOM 1380 CG LYS A 89 21.985 -12.624 11.417 1.00 1.11 C ATOM 1381 CD LYS A 89 21.057 -11.465 11.095 1.00 0.51 C ATOM 1382 CE LYS A 89 20.873 -10.548 12.294 1.00 23.00 C ATOM 1383 NZ LYS A 89 19.467 -10.550 12.784 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.329 -16.288 11.113 1.00 0.12 H new ATOM 0 HA LYS A 89 20.513 -14.412 12.447 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.488 -14.359 10.273 1.00 12.11 H new ATOM 0 HB3 LYS A 89 20.978 -13.602 9.804 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.965 -12.820 12.489 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.009 -12.353 11.162 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.462 -10.895 10.259 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.088 -11.851 10.779 1.00 0.51 H new ATOM 0 HE2 LYS A 89 21.538 -10.864 13.098 1.00 23.00 H new ATOM 0 HE3 LYS A 89 21.161 -9.533 12.022 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 19.383 -9.913 13.602 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 18.834 -10.225 12.025 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 19.200 -11.514 13.068 1.00 64.21 H new ATOM 1397 N MET A 90 19.400 -16.661 10.655 1.00 61.54 N ATOM 1398 CA MET A 90 18.243 -17.226 9.970 1.00 34.14 C ATOM 1399 C MET A 90 18.026 -18.680 10.380 1.00 23.11 C ATOM 1400 O MET A 90 18.974 -19.387 10.716 1.00 52.43 O ATOM 1401 CB MET A 90 18.424 -17.133 8.454 1.00 63.10 C ATOM 1402 CG MET A 90 17.819 -15.878 7.846 1.00 53.24 C ATOM 1403 SD MET A 90 19.015 -14.919 6.898 1.00 10.12 S ATOM 1404 CE MET A 90 19.421 -16.077 5.593 1.00 55.23 C ATOM 0 H MET A 90 20.052 -17.354 11.024 1.00 61.54 H new ATOM 0 HA MET A 90 17.364 -16.650 10.259 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.488 -17.163 8.221 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.971 -18.008 7.988 1.00 63.10 H new ATOM 0 HG2 MET A 90 16.988 -16.157 7.198 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.408 -15.256 8.641 1.00 53.24 H new ATOM 0 HE1 MET A 90 19.546 -15.538 4.654 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.348 -16.594 5.841 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.616 -16.805 5.489 1.00 55.23 H new ATOM 1414 N GLU A 91 16.771 -19.116 10.349 1.00 65.45 N ATOM 1415 CA GLU A 91 16.430 -20.485 10.718 1.00 11.40 C ATOM 1416 C GLU A 91 15.737 -21.205 9.564 1.00 34.33 C ATOM 1417 O GLU A 91 14.584 -20.918 9.244 1.00 12.44 O ATOM 1418 CB GLU A 91 15.528 -20.495 11.954 1.00 33.13 C ATOM 1419 CG GLU A 91 16.174 -19.879 13.184 1.00 21.12 C ATOM 1420 CD GLU A 91 15.644 -20.466 14.477 1.00 24.32 C ATOM 1421 OE1 GLU A 91 15.790 -21.689 14.679 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 15.080 -19.699 15.288 1.00 51.55 O ATOM 0 H GLU A 91 15.974 -18.542 10.073 1.00 65.45 H new ATOM 0 HA GLU A 91 17.356 -21.012 10.948 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.609 -19.954 11.727 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.245 -21.523 12.179 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.253 -20.029 13.137 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.001 -18.803 13.180 1.00 21.12 H new ATOM 1429 N VAL A 92 16.450 -22.139 8.943 1.00 4.22 N ATOM 1430 CA VAL A 92 15.905 -22.899 7.825 1.00 10.32 C ATOM 1431 C VAL A 92 15.720 -24.366 8.196 1.00 5.13 C ATOM 1432 O VAL A 92 16.583 -24.969 8.836 1.00 24.13 O ATOM 1433 CB VAL A 92 16.814 -22.806 6.586 1.00 74.54 C ATOM 1434 CG1 VAL A 92 18.232 -23.238 6.929 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.253 -23.645 5.448 1.00 24.44 C ATOM 0 H VAL A 92 17.407 -22.387 9.195 1.00 4.22 H new ATOM 0 HA VAL A 92 14.935 -22.461 7.588 1.00 10.32 H new ATOM 0 HB VAL A 92 16.846 -21.767 6.259 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.859 -23.165 6.041 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.631 -22.590 7.709 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.223 -24.269 7.283 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.909 -23.567 4.581 1.00 24.44 H new ATOM 0 HG22 VAL A 92 16.189 -24.687 5.762 1.00 24.44 H new ATOM 0 HG23 VAL A 92 15.259 -23.283 5.185 1.00 24.44 H new ATOM 1445 N ASP A 93 14.591 -24.935 7.790 1.00 5.23 N ATOM 1446 CA ASP A 93 14.292 -26.334 8.079 1.00 71.33 C ATOM 1447 C ASP A 93 13.853 -27.068 6.816 1.00 3.43 C ATOM 1448 O ASP A 93 12.786 -26.795 6.267 1.00 70.13 O ATOM 1449 CB ASP A 93 13.203 -26.435 9.148 1.00 63.55 C ATOM 1450 CG ASP A 93 13.443 -25.493 10.310 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.278 -25.822 11.179 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 12.795 -24.425 10.353 1.00 3.05 O ATOM 0 H ASP A 93 13.867 -24.450 7.260 1.00 5.23 H new ATOM 0 HA ASP A 93 15.201 -26.804 8.453 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.235 -26.213 8.698 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.155 -27.459 9.518 1.00 63.55 H new ATOM 1457 N GLY A 94 14.685 -27.999 6.359 1.00 62.44 N ATOM 1458 CA GLY A 94 14.365 -28.756 5.163 1.00 54.13 C ATOM 1459 C GLY A 94 15.560 -29.513 4.619 1.00 34.44 C ATOM 1460 O GLY A 94 16.694 -29.276 5.035 1.00 31.24 O ATOM 0 H GLY A 94 15.574 -28.242 6.795 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.564 -29.460 5.386 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.989 -28.078 4.397 1.00 54.13 H new ATOM 1464 N GLN A 95 15.306 -30.428 3.689 1.00 20.11 N ATOM 1465 CA GLN A 95 16.371 -31.224 3.090 1.00 74.11 C ATOM 1466 C GLN A 95 17.415 -30.328 2.430 1.00 14.41 C ATOM 1467 O GLN A 95 17.089 -29.496 1.583 1.00 70.12 O ATOM 1468 CB GLN A 95 15.793 -32.196 2.060 1.00 43.12 C ATOM 1469 CG GLN A 95 16.821 -33.157 1.486 1.00 5.44 C ATOM 1470 CD GLN A 95 16.697 -34.555 2.057 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.593 -35.054 2.274 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.834 -35.196 2.305 1.00 15.42 N ATOM 0 H GLN A 95 14.373 -30.636 3.334 1.00 20.11 H new ATOM 0 HA GLN A 95 16.855 -31.792 3.884 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.991 -32.770 2.524 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.346 -31.626 1.245 1.00 43.12 H new ATOM 0 HG2 GLN A 95 16.707 -33.200 0.403 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.822 -32.774 1.686 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.727 -34.744 2.110 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.814 -36.140 2.691 1.00 15.42 H new ATOM 1481 N VAL A 96 18.672 -30.503 2.826 1.00 3.03 N ATOM 1482 CA VAL A 96 19.765 -29.711 2.273 1.00 31.30 C ATOM 1483 C VAL A 96 19.618 -29.551 0.764 1.00 11.34 C ATOM 1484 O VAL A 96 19.713 -28.444 0.236 1.00 40.02 O ATOM 1485 CB VAL A 96 21.132 -30.349 2.580 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.257 -29.514 1.987 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.316 -30.518 4.080 1.00 14.52 C ATOM 0 H VAL A 96 18.959 -31.186 3.527 1.00 3.03 H new ATOM 0 HA VAL A 96 19.716 -28.730 2.746 1.00 31.30 H new ATOM 0 HB VAL A 96 21.164 -31.337 2.120 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.215 -29.981 2.214 1.00 73.33 H new ATOM 0 HG12 VAL A 96 22.132 -29.450 0.906 1.00 73.33 H new ATOM 0 HG13 VAL A 96 22.231 -28.512 2.415 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.288 -30.970 4.279 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.263 -29.543 4.565 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.529 -31.162 4.473 1.00 14.52 H new ATOM 1497 N GLU A 97 19.386 -30.665 0.075 1.00 74.25 N ATOM 1498 CA GLU A 97 19.226 -30.647 -1.374 1.00 11.51 C ATOM 1499 C GLU A 97 18.032 -29.789 -1.780 1.00 42.00 C ATOM 1500 O GLU A 97 18.128 -28.957 -2.683 1.00 42.22 O ATOM 1501 CB GLU A 97 19.051 -32.071 -1.907 1.00 74.24 C ATOM 1502 CG GLU A 97 20.242 -32.572 -2.707 1.00 53.13 C ATOM 1503 CD GLU A 97 20.050 -33.989 -3.212 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.896 -34.363 -3.509 1.00 41.00 O1- ATOM 1505 OE2 GLU A 97 21.054 -34.724 -3.310 1.00 51.11 O ATOM 0 H GLU A 97 19.305 -31.590 0.497 1.00 74.25 H new ATOM 0 HA GLU A 97 20.126 -30.212 -1.808 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.878 -32.745 -1.068 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.161 -32.108 -2.535 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.411 -31.908 -3.555 1.00 53.13 H new ATOM 0 HG3 GLU A 97 21.136 -32.530 -2.085 1.00 53.13 H new ATOM 1512 N LEU A 98 16.905 -29.998 -1.107 1.00 4.22 N ATOM 1513 CA LEU A 98 15.690 -29.245 -1.396 1.00 45.51 C ATOM 1514 C LEU A 98 15.983 -27.750 -1.482 1.00 62.10 C ATOM 1515 O LEU A 98 15.662 -27.101 -2.477 1.00 75.13 O ATOM 1516 CB LEU A 98 14.634 -29.508 -0.321 1.00 63.45 C ATOM 1517 CG LEU A 98 13.680 -30.673 -0.589 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.542 -30.232 -1.495 1.00 70.31 C ATOM 1519 CD2 LEU A 98 14.429 -31.846 -1.202 1.00 24.12 C ATOM 0 H LEU A 98 16.808 -30.683 -0.357 1.00 4.22 H new ATOM 0 HA LEU A 98 15.308 -29.578 -2.361 1.00 45.51 H new ATOM 0 HB2 LEU A 98 15.145 -29.693 0.624 1.00 63.45 H new ATOM 0 HB3 LEU A 98 14.042 -28.602 -0.192 1.00 63.45 H new ATOM 0 HG LEU A 98 13.256 -30.997 0.362 1.00 24.15 H new ATOM 0 HD11 LEU A 98 11.873 -31.074 -1.675 1.00 70.31 H new ATOM 0 HD12 LEU A 98 11.988 -29.424 -1.017 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.947 -29.881 -2.444 1.00 70.31 H new ATOM 0 HD21 LEU A 98 13.734 -32.665 -1.386 1.00 24.12 H new ATOM 0 HD22 LEU A 98 14.882 -31.536 -2.144 1.00 24.12 H new ATOM 0 HD23 LEU A 98 15.209 -32.178 -0.516 1.00 24.12 H new ATOM 1531 N ILE A 99 16.597 -27.212 -0.434 1.00 14.23 N ATOM 1532 CA ILE A 99 16.937 -25.795 -0.392 1.00 35.14 C ATOM 1533 C ILE A 99 18.034 -25.464 -1.397 1.00 52.03 C ATOM 1534 O ILE A 99 18.143 -24.328 -1.863 1.00 51.23 O ATOM 1535 CB ILE A 99 17.397 -25.367 1.014 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.634 -26.164 1.434 1.00 34.25 C ATOM 1537 CG2 ILE A 99 16.271 -25.556 2.019 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.364 -25.567 2.616 1.00 52.41 C ATOM 0 H ILE A 99 16.869 -27.736 0.398 1.00 14.23 H new ATOM 0 HA ILE A 99 16.032 -25.245 -0.651 1.00 35.14 H new ATOM 0 HB ILE A 99 17.661 -24.310 0.989 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.334 -27.183 1.679 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.319 -26.228 0.589 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.611 -25.249 3.008 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.415 -24.949 1.725 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.979 -26.606 2.045 1.00 43.42 H new ATOM 0 HD11 ILE A 99 20.230 -26.184 2.858 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.695 -24.559 2.368 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.694 -25.528 3.475 1.00 52.41 H new ATOM 1550 N PHE A 100 18.846 -26.461 -1.729 1.00 71.24 N ATOM 1551 CA PHE A 100 19.936 -26.276 -2.680 1.00 72.33 C ATOM 1552 C PHE A 100 19.407 -26.224 -4.111 1.00 42.50 C ATOM 1553 O PHE A 100 20.103 -25.784 -5.027 1.00 71.51 O ATOM 1554 CB PHE A 100 20.958 -27.406 -2.544 1.00 70.10 C ATOM 1555 CG PHE A 100 22.064 -27.341 -3.559 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.142 -26.491 -3.373 1.00 64.21 C ATOM 1557 CD2 PHE A 100 22.024 -28.130 -4.696 1.00 32.30 C ATOM 1558 CE1 PHE A 100 24.161 -26.429 -4.305 1.00 44.14 C ATOM 1559 CE2 PHE A 100 23.040 -28.072 -5.632 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.111 -27.221 -5.436 1.00 4.43 C ATOM 0 H PHE A 100 18.770 -27.406 -1.354 1.00 71.24 H new ATOM 0 HA PHE A 100 20.422 -25.327 -2.456 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.391 -27.375 -1.544 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.444 -28.363 -2.639 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.187 -25.870 -2.490 1.00 64.21 H new ATOM 0 HD2 PHE A 100 21.190 -28.798 -4.854 1.00 32.30 H new ATOM 0 HE1 PHE A 100 24.996 -25.762 -4.149 1.00 44.14 H new ATOM 0 HE2 PHE A 100 22.997 -28.691 -6.516 1.00 55.43 H new ATOM 0 HZ PHE A 100 24.907 -27.175 -6.165 1.00 4.43 H new ATOM 1570 N LEU A 101 18.171 -26.677 -4.295 1.00 25.32 N ATOM 1571 CA LEU A 101 17.548 -26.684 -5.613 1.00 40.32 C ATOM 1572 C LEU A 101 17.108 -25.280 -6.015 1.00 65.23 C ATOM 1573 O LEU A 101 17.113 -24.930 -7.196 1.00 62.41 O ATOM 1574 CB LEU A 101 16.346 -27.630 -5.626 1.00 25.44 C ATOM 1575 CG LEU A 101 16.600 -29.031 -6.183 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.931 -28.965 -7.665 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.721 -29.716 -5.415 1.00 22.30 C ATOM 0 H LEU A 101 17.581 -27.044 -3.548 1.00 25.32 H new ATOM 0 HA LEU A 101 18.286 -27.034 -6.334 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.975 -27.728 -4.606 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.551 -27.167 -6.211 1.00 25.44 H new ATOM 0 HG LEU A 101 15.690 -29.619 -6.061 1.00 23.22 H new ATOM 0 HD11 LEU A 101 17.109 -29.972 -8.043 1.00 4.34 H new ATOM 0 HD12 LEU A 101 16.097 -28.516 -8.204 1.00 4.34 H new ATOM 0 HD13 LEU A 101 17.825 -28.359 -7.811 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.888 -30.712 -5.825 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.635 -29.129 -5.505 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.444 -29.798 -4.364 1.00 22.30 H new ATOM 1589 N LEU A 102 16.731 -24.478 -5.025 1.00 30.55 N ATOM 1590 CA LEU A 102 16.292 -23.110 -5.274 1.00 44.41 C ATOM 1591 C LEU A 102 17.480 -22.155 -5.319 1.00 35.10 C ATOM 1592 O LEU A 102 17.335 -20.986 -5.675 1.00 24.35 O ATOM 1593 CB LEU A 102 15.306 -22.665 -4.191 1.00 74.32 C ATOM 1594 CG LEU A 102 13.844 -23.054 -4.414 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.741 -24.497 -4.884 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.038 -22.848 -3.139 1.00 31.25 C ATOM 0 H LEU A 102 16.721 -24.752 -4.043 1.00 30.55 H new ATOM 0 HA LEU A 102 15.794 -23.086 -6.243 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.631 -23.083 -3.238 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.363 -21.580 -4.100 1.00 74.32 H new ATOM 0 HG LEU A 102 13.431 -22.410 -5.191 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.693 -24.756 -5.037 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.285 -24.614 -5.821 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.171 -25.157 -4.130 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.000 -23.130 -3.315 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.452 -23.467 -2.343 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.085 -21.800 -2.845 1.00 31.25 H new ATOM 1608 N GLU A 103 18.655 -22.662 -4.958 1.00 43.15 N ATOM 1609 CA GLU A 103 19.868 -21.855 -4.960 1.00 3.21 C ATOM 1610 C GLU A 103 20.214 -21.395 -6.372 1.00 63.23 C ATOM 1611 O GLU A 103 20.439 -20.213 -6.630 1.00 12.34 O ATOM 1612 CB GLU A 103 21.035 -22.647 -4.369 1.00 45.21 C ATOM 1613 CG GLU A 103 21.197 -22.466 -2.869 1.00 43.34 C ATOM 1614 CD GLU A 103 22.494 -23.051 -2.346 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.333 -23.468 -3.174 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.672 -23.094 -1.111 1.00 12.12 O1- ATOM 0 H GLU A 103 18.792 -23.628 -4.661 1.00 43.15 H new ATOM 0 HA GLU A 103 19.688 -20.974 -4.344 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.891 -23.706 -4.585 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.957 -22.343 -4.865 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.160 -21.403 -2.629 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.358 -22.938 -2.357 1.00 43.34 H new ATOM 1623 N PRO A 104 20.259 -22.352 -7.311 1.00 1.41 N ATOM 1624 CA PRO A 104 20.578 -22.071 -8.714 1.00 73.13 C ATOM 1625 C PRO A 104 19.468 -21.298 -9.417 1.00 4.23 C ATOM 1626 O PRO A 104 19.644 -20.819 -10.537 1.00 22.01 O ATOM 1627 CB PRO A 104 20.731 -23.464 -9.330 1.00 53.34 C ATOM 1628 CG PRO A 104 19.907 -24.354 -8.463 1.00 15.34 C ATOM 1629 CD PRO A 104 20.003 -23.783 -7.075 1.00 52.44 C ATOM 0 HA PRO A 104 21.466 -21.447 -8.812 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.380 -23.481 -10.362 1.00 53.34 H new ATOM 0 HB3 PRO A 104 21.774 -23.779 -9.343 1.00 53.34 H new ATOM 0 HG2 PRO A 104 18.872 -24.381 -8.803 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.278 -25.378 -8.490 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.083 -23.939 -6.512 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.808 -24.246 -6.505 1.00 52.44 H new ATOM 1637 N PHE A 105 18.323 -21.179 -8.752 1.00 2.15 N ATOM 1638 CA PHE A 105 17.183 -20.464 -9.313 1.00 32.10 C ATOM 1639 C PHE A 105 17.151 -19.020 -8.820 1.00 31.15 C ATOM 1640 O PHE A 105 16.476 -18.170 -9.402 1.00 64.30 O ATOM 1641 CB PHE A 105 15.878 -21.170 -8.942 1.00 54.33 C ATOM 1642 CG PHE A 105 15.605 -22.397 -9.765 1.00 41.41 C ATOM 1643 CD1 PHE A 105 15.547 -22.321 -11.147 1.00 1.41 C ATOM 1644 CD2 PHE A 105 15.407 -23.626 -9.156 1.00 74.43 C ATOM 1645 CE1 PHE A 105 15.295 -23.448 -11.906 1.00 3.32 C ATOM 1646 CE2 PHE A 105 15.156 -24.756 -9.911 1.00 11.53 C ATOM 1647 CZ PHE A 105 15.101 -24.668 -11.287 1.00 12.30 C ATOM 0 H PHE A 105 18.160 -21.569 -7.824 1.00 2.15 H new ATOM 0 HA PHE A 105 17.288 -20.457 -10.398 1.00 32.10 H new ATOM 0 HB2 PHE A 105 15.912 -21.449 -7.889 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.050 -20.471 -9.060 1.00 54.33 H new ATOM 0 HD1 PHE A 105 15.700 -21.371 -11.637 1.00 1.41 H new ATOM 0 HD2 PHE A 105 15.449 -23.702 -8.079 1.00 74.43 H new ATOM 0 HE1 PHE A 105 15.250 -23.375 -12.983 1.00 3.32 H new ATOM 0 HE2 PHE A 105 15.003 -25.708 -9.424 1.00 11.53 H new ATOM 0 HZ PHE A 105 14.907 -25.550 -11.879 1.00 12.30 H new ATOM 1657 N ILE A 106 17.885 -18.751 -7.746 1.00 24.22 N ATOM 1658 CA ILE A 106 17.941 -17.411 -7.175 1.00 75.54 C ATOM 1659 C ILE A 106 18.384 -16.389 -8.216 1.00 2.34 C ATOM 1660 O ILE A 106 17.805 -15.309 -8.328 1.00 3.54 O ATOM 1661 CB ILE A 106 18.899 -17.351 -5.972 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.254 -18.000 -4.746 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.286 -15.910 -5.674 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.256 -18.516 -3.737 1.00 25.24 C ATOM 0 H ILE A 106 18.449 -19.443 -7.253 1.00 24.22 H new ATOM 0 HA ILE A 106 16.933 -17.169 -6.838 1.00 75.54 H new ATOM 0 HB ILE A 106 19.804 -17.906 -6.219 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.603 -17.273 -4.260 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.622 -18.826 -5.073 1.00 1.44 H new ATOM 0 HG21 ILE A 106 19.964 -15.884 -4.821 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.781 -15.479 -6.544 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.390 -15.333 -5.444 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.727 -18.963 -2.895 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.891 -19.267 -4.206 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.873 -17.690 -3.382 1.00 25.24 H new ATOM 1676 N ALA A 107 19.417 -16.737 -8.977 1.00 3.35 N ATOM 1677 CA ALA A 107 19.937 -15.852 -10.011 1.00 34.20 C ATOM 1678 C ALA A 107 18.866 -15.529 -11.047 1.00 53.41 C ATOM 1679 O ALA A 107 18.739 -14.388 -11.489 1.00 32.33 O ATOM 1680 CB ALA A 107 21.150 -16.480 -10.682 1.00 64.22 C ATOM 0 H ALA A 107 19.910 -17.626 -8.896 1.00 3.35 H new ATOM 0 HA ALA A 107 20.240 -14.919 -9.537 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.528 -15.808 -11.452 1.00 64.22 H new ATOM 0 HB2 ALA A 107 21.928 -16.654 -9.938 1.00 64.22 H new ATOM 0 HB3 ALA A 107 20.864 -17.429 -11.136 1.00 64.22 H new ATOM 1686 N SER A 108 18.097 -16.543 -11.432 1.00 21.15 N ATOM 1687 CA SER A 108 17.039 -16.368 -12.420 1.00 44.42 C ATOM 1688 C SER A 108 16.138 -15.194 -12.050 1.00 32.13 C ATOM 1689 O SER A 108 15.533 -14.563 -12.917 1.00 64.31 O ATOM 1690 CB SER A 108 16.207 -17.647 -12.540 1.00 55.01 C ATOM 1691 OG SER A 108 16.925 -18.770 -12.058 1.00 5.42 O ATOM 0 H SER A 108 18.187 -17.494 -11.075 1.00 21.15 H new ATOM 0 HA SER A 108 17.506 -16.155 -13.382 1.00 44.42 H new ATOM 0 HB2 SER A 108 15.280 -17.536 -11.978 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.930 -17.808 -13.582 1.00 55.01 H new ATOM 0 HG SER A 108 17.027 -19.427 -12.778 1.00 5.42 H new ATOM 1697 N LEU A 109 16.053 -14.908 -10.755 1.00 35.14 N ATOM 1698 CA LEU A 109 15.226 -13.810 -10.267 1.00 3.21 C ATOM 1699 C LEU A 109 15.865 -12.463 -10.587 1.00 12.12 C ATOM 1700 O LEU A 109 17.011 -12.397 -11.034 1.00 20.34 O ATOM 1701 CB LEU A 109 15.010 -13.940 -8.758 1.00 34.14 C ATOM 1702 CG LEU A 109 14.669 -15.340 -8.247 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.276 -15.291 -6.778 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.554 -15.955 -9.079 1.00 5.32 C ATOM 0 H LEU A 109 16.547 -15.421 -10.025 1.00 35.14 H new ATOM 0 HA LEU A 109 14.261 -13.862 -10.772 1.00 3.21 H new ATOM 0 HB2 LEU A 109 15.913 -13.600 -8.251 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.207 -13.263 -8.466 1.00 34.14 H new ATOM 0 HG LEU A 109 15.555 -15.967 -8.344 1.00 61.52 H new ATOM 0 HD11 LEU A 109 14.037 -16.296 -6.432 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.105 -14.893 -6.193 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.404 -14.648 -6.656 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.325 -16.951 -8.701 1.00 5.32 H new ATOM 0 HD22 LEU A 109 12.664 -15.329 -9.015 1.00 5.32 H new ATOM 0 HD23 LEU A 109 13.873 -16.026 -10.119 1.00 5.32 H new ATOM 1716 N LYS A 110 15.119 -11.389 -10.354 1.00 61.55 N ATOM 1717 CA LYS A 110 15.613 -10.041 -10.613 1.00 50.13 C ATOM 1718 C LYS A 110 14.701 -8.996 -9.979 1.00 22.31 C ATOM 1719 O LYS A 110 14.005 -8.286 -10.704 1.00 42.22 O ATOM 1720 CB LYS A 110 15.718 -9.797 -12.120 1.00 44.41 C ATOM 1721 CG LYS A 110 16.609 -8.622 -12.484 1.00 44.45 C ATOM 1722 CD LYS A 110 16.767 -8.488 -13.989 1.00 34.11 C ATOM 1723 CE LYS A 110 17.058 -7.050 -14.393 1.00 5.35 C ATOM 1724 NZ LYS A 110 17.139 -6.895 -15.872 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.169 -11.425 -9.986 1.00 61.55 H new ATOM 0 HA LYS A 110 16.603 -9.951 -10.166 1.00 50.13 H new ATOM 0 HB2 LYS A 110 16.103 -10.697 -12.600 1.00 44.41 H new ATOM 0 HB3 LYS A 110 14.720 -9.624 -12.522 1.00 44.41 H new ATOM 0 HG2 LYS A 110 16.185 -7.703 -12.078 1.00 44.45 H new ATOM 0 HG3 LYS A 110 17.589 -8.751 -12.024 1.00 44.45 H new ATOM 0 HD2 LYS A 110 17.576 -9.134 -14.330 1.00 34.11 H new ATOM 0 HD3 LYS A 110 15.857 -8.829 -14.483 1.00 34.11 H new ATOM 0 HE2 LYS A 110 16.277 -6.398 -14.002 1.00 5.35 H new ATOM 0 HE3 LYS A 110 17.997 -6.729 -13.942 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 17.338 -5.902 -16.107 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 17.901 -7.498 -16.243 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 16.234 -7.177 -16.301 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.296 -27.854 -10.455 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.289 -26.947 -10.587 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.385 -28.866 -11.143 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.313 -27.480 -9.344 1.00 54.31 C HETATM 1743 C3 PLM A 200 12.195 -26.268 -9.811 1.00 13.24 C HETATM 1744 C4 PLM A 200 11.774 -24.896 -9.238 1.00 51.32 C HETATM 1745 C5 PLM A 200 12.300 -24.675 -7.808 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.836 -23.330 -7.218 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.806 -22.181 -7.553 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.478 -20.895 -6.771 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.746 -20.136 -6.331 1.00 71.14 C HETATM 1750 CA PLM A 200 13.736 -19.680 -4.858 1.00 3.31 C HETATM 1751 CB PLM A 200 15.049 -18.946 -4.529 1.00 12.32 C HETATM 1752 CC PLM A 200 14.812 -18.216 -3.054 1.00 52.33 C HETATM 1753 CD PLM A 200 15.168 -19.175 -1.902 1.00 43.24 C HETATM 1754 CE PLM A 200 16.609 -19.707 -2.012 1.00 12.22 C HETATM 1755 CF PLM A 200 17.016 -20.540 -0.783 1.00 51.53 C HETATM 1756 CG PLM A 200 17.787 -21.805 -1.181 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.161 -22.426 -1.822 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.693 -21.525 -1.719 1.00 5.21 H new HETATM 0 HG1 PLM A 200 18.056 -22.364 -0.285 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.632 -19.932 -0.120 1.00 51.53 H new HETATM 0 HF1 PLM A 200 16.124 -20.819 -0.222 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.701 -20.318 -2.910 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.297 -18.869 -2.125 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.045 -18.658 -0.950 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.472 -20.014 -1.902 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.424 -17.317 -2.986 1.00 52.33 H new HETATM 0 HC1 PLM A 200 13.772 -17.901 -2.962 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.886 -19.643 -4.489 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.286 -18.208 -5.296 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.886 -19.022 -4.677 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.617 -20.542 -4.202 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.613 -20.776 -6.495 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.871 -19.261 -6.969 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.864 -20.242 -7.391 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.886 -21.149 -5.892 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.826 -22.491 -7.327 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.766 -21.974 -8.622 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.845 -23.090 -7.602 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.745 -23.422 -6.136 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.958 -25.488 -7.167 1.00 43.34 H new HETATM 0 H51 PLM A 200 13.389 -24.711 -7.814 1.00 43.34 H new HETATM 0 H42 PLM A 200 12.147 -24.104 -9.887 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.686 -24.823 -9.238 1.00 51.32 H new HETATM 0 H32 PLM A 200 13.230 -26.461 -9.529 1.00 13.24 H new HETATM 0 H31 PLM A 200 12.166 -26.215 -10.899 1.00 13.24 H new HETATM 0 H22 PLM A 200 10.784 -27.223 -8.426 1.00 54.31 H new HETATM 0 H21 PLM A 200 11.948 -28.337 -9.117 1.00 54.31 H new HETATM 0 H PLM A 200 9.221 -26.412 -9.768 1.00 23.33 H new