USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot -110:sc= 0.774 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0.41 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.085) USER MOD Single : A 33 MET CE :methyl 153:sc= -4.59! (180deg=-8.52!) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 35 ASN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 172:sc= 0 (180deg=-0.0313) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 61 ASN : amide:sc= -2.01 K(o=-2,f=-4.4) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.732 USER MOD Single : A 67 GLN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -146:sc= -0.394 (180deg=-1.55!) USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.269 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.912 -3.307 -3.923 1.00 10.14 N ATOM 2 CA MET A 1 -0.995 -2.987 -2.835 1.00 0.41 C ATOM 3 C MET A 1 -0.442 -4.257 -2.198 1.00 63.52 C ATOM 4 O MET A 1 -1.193 -5.072 -1.662 1.00 70.21 O ATOM 5 CB MET A 1 -1.702 -2.138 -1.776 1.00 50.04 C ATOM 6 CG MET A 1 -0.777 -1.644 -0.676 1.00 42.22 C ATOM 7 SD MET A 1 -0.692 0.155 -0.596 1.00 44.53 S ATOM 8 CE MET A 1 0.168 0.385 0.958 1.00 45.01 C ATOM 0 H1 MET A 1 -2.275 -2.427 -4.341 1.00 10.14 H new ATOM 0 H2 MET A 1 -1.410 -3.854 -4.651 1.00 10.14 H new ATOM 0 H3 MET A 1 -2.706 -3.869 -3.554 1.00 10.14 H new ATOM 0 HA MET A 1 -0.163 -2.418 -3.251 1.00 0.41 H new ATOM 0 HB2 MET A 1 -2.167 -1.280 -2.261 1.00 50.04 H new ATOM 0 HB3 MET A 1 -2.504 -2.724 -1.328 1.00 50.04 H new ATOM 0 HG2 MET A 1 -1.121 -2.031 0.283 1.00 42.22 H new ATOM 0 HG3 MET A 1 0.223 -2.044 -0.841 1.00 42.22 H new ATOM 0 HE1 MET A 1 0.297 1.450 1.148 1.00 45.01 H new ATOM 0 HE2 MET A 1 -0.414 -0.060 1.765 1.00 45.01 H new ATOM 0 HE3 MET A 1 1.145 -0.095 0.908 1.00 45.01 H new ATOM 18 N ASP A 2 0.875 -4.420 -2.261 1.00 62.31 N ATOM 19 CA ASP A 2 1.529 -5.592 -1.690 1.00 31.01 C ATOM 20 C ASP A 2 2.884 -5.222 -1.094 1.00 71.14 C ATOM 21 O ASP A 2 3.312 -4.070 -1.165 1.00 42.43 O ATOM 22 CB ASP A 2 1.705 -6.675 -2.756 1.00 12.23 C ATOM 23 CG ASP A 2 2.192 -6.113 -4.077 1.00 1.02 C ATOM 24 OD1 ASP A 2 3.100 -5.256 -4.058 1.00 22.22 O ATOM 25 OD2 ASP A 2 1.665 -6.529 -5.130 1.00 32.53 O ATOM 0 H ASP A 2 1.511 -3.755 -2.702 1.00 62.31 H new ATOM 0 HA ASP A 2 0.895 -5.979 -0.892 1.00 31.01 H new ATOM 0 HB2 ASP A 2 2.415 -7.421 -2.398 1.00 12.23 H new ATOM 0 HB3 ASP A 2 0.755 -7.187 -2.910 1.00 12.23 H new ATOM 30 N THR A 3 3.555 -6.207 -0.506 1.00 30.41 N ATOM 31 CA THR A 3 4.860 -5.986 0.104 1.00 51.40 C ATOM 32 C THR A 3 5.918 -5.693 -0.953 1.00 43.42 C ATOM 33 O THR A 3 5.797 -6.119 -2.102 1.00 32.13 O ATOM 34 CB THR A 3 5.305 -7.203 0.936 1.00 2.23 C ATOM 35 OG1 THR A 3 6.480 -6.879 1.689 1.00 53.43 O ATOM 36 CG2 THR A 3 5.586 -8.399 0.039 1.00 52.42 C ATOM 0 H THR A 3 3.216 -7.167 -0.439 1.00 30.41 H new ATOM 0 HA THR A 3 4.759 -5.123 0.762 1.00 51.40 H new ATOM 0 HB THR A 3 4.496 -7.463 1.619 1.00 2.23 H new ATOM 0 HG1 THR A 3 7.249 -7.362 1.320 1.00 53.43 H new ATOM 0 HG21 THR A 3 5.899 -9.246 0.649 1.00 52.42 H new ATOM 0 HG22 THR A 3 4.682 -8.662 -0.511 1.00 52.42 H new ATOM 0 HG23 THR A 3 6.379 -8.147 -0.665 1.00 52.42 H new ATOM 44 N ASP A 4 6.956 -4.963 -0.558 1.00 70.24 N ATOM 45 CA ASP A 4 8.038 -4.615 -1.472 1.00 55.44 C ATOM 46 C ASP A 4 9.240 -5.530 -1.266 1.00 20.23 C ATOM 47 O ASP A 4 10.327 -5.074 -0.911 1.00 14.35 O ATOM 48 CB ASP A 4 8.452 -3.156 -1.274 1.00 15.33 C ATOM 49 CG ASP A 4 7.599 -2.197 -2.082 1.00 4.23 C ATOM 50 OD1 ASP A 4 6.501 -2.602 -2.518 1.00 1.43 O ATOM 51 OD2 ASP A 4 8.030 -1.041 -2.277 1.00 64.44 O ATOM 0 H ASP A 4 7.071 -4.601 0.389 1.00 70.24 H new ATOM 0 HA ASP A 4 7.675 -4.747 -2.491 1.00 55.44 H new ATOM 0 HB2 ASP A 4 8.378 -2.901 -0.217 1.00 15.33 H new ATOM 0 HB3 ASP A 4 9.497 -3.036 -1.559 1.00 15.33 H new ATOM 56 N SER A 5 9.037 -6.825 -1.490 1.00 2.34 N ATOM 57 CA SER A 5 10.103 -7.805 -1.323 1.00 63.51 C ATOM 58 C SER A 5 10.206 -8.709 -2.548 1.00 20.41 C ATOM 59 O SER A 5 9.198 -9.050 -3.166 1.00 64.34 O ATOM 60 CB SER A 5 9.858 -8.650 -0.071 1.00 55.22 C ATOM 61 OG SER A 5 8.546 -8.453 0.427 1.00 12.33 O ATOM 0 H SER A 5 8.144 -7.219 -1.787 1.00 2.34 H new ATOM 0 HA SER A 5 11.044 -7.266 -1.210 1.00 63.51 H new ATOM 0 HB2 SER A 5 10.007 -9.704 -0.305 1.00 55.22 H new ATOM 0 HB3 SER A 5 10.585 -8.387 0.697 1.00 55.22 H new ATOM 0 HG SER A 5 8.413 -9.005 1.226 1.00 12.33 H new ATOM 67 N GLU A 6 11.432 -9.093 -2.891 1.00 74.13 N ATOM 68 CA GLU A 6 11.666 -9.957 -4.043 1.00 5.34 C ATOM 69 C GLU A 6 12.642 -11.077 -3.693 1.00 11.24 C ATOM 70 O GLU A 6 13.479 -11.462 -4.508 1.00 52.43 O ATOM 71 CB GLU A 6 12.210 -9.141 -5.218 1.00 11.04 C ATOM 72 CG GLU A 6 13.381 -8.246 -4.847 1.00 72.25 C ATOM 73 CD GLU A 6 12.954 -6.824 -4.540 1.00 32.13 C ATOM 74 OE1 GLU A 6 12.166 -6.258 -5.327 1.00 21.43 O ATOM 75 OE2 GLU A 6 13.407 -6.277 -3.513 1.00 1.01 O ATOM 0 H GLU A 6 12.277 -8.820 -2.389 1.00 74.13 H new ATOM 0 HA GLU A 6 10.714 -10.404 -4.330 1.00 5.34 H new ATOM 0 HB2 GLU A 6 12.521 -9.823 -6.010 1.00 11.04 H new ATOM 0 HB3 GLU A 6 11.408 -8.525 -5.624 1.00 11.04 H new ATOM 0 HG2 GLU A 6 13.892 -8.663 -3.979 1.00 72.25 H new ATOM 0 HG3 GLU A 6 14.100 -8.237 -5.666 1.00 72.25 H new ATOM 82 N GLU A 7 12.527 -11.595 -2.474 1.00 14.55 N ATOM 83 CA GLU A 7 13.399 -12.669 -2.015 1.00 61.21 C ATOM 84 C GLU A 7 12.765 -14.033 -2.274 1.00 50.22 C ATOM 85 O GLU A 7 13.464 -15.024 -2.481 1.00 21.02 O ATOM 86 CB GLU A 7 13.701 -12.510 -0.524 1.00 11.05 C ATOM 87 CG GLU A 7 14.505 -11.263 -0.195 1.00 21.41 C ATOM 88 CD GLU A 7 14.734 -11.093 1.294 1.00 1.43 C ATOM 89 OE1 GLU A 7 14.944 -12.114 1.982 1.00 2.54 O ATOM 90 OE2 GLU A 7 14.703 -9.939 1.772 1.00 61.25 O ATOM 0 H GLU A 7 11.838 -11.288 -1.787 1.00 14.55 H new ATOM 0 HA GLU A 7 14.332 -12.609 -2.575 1.00 61.21 H new ATOM 0 HB2 GLU A 7 12.761 -12.482 0.027 1.00 11.05 H new ATOM 0 HB3 GLU A 7 14.248 -13.387 -0.177 1.00 11.05 H new ATOM 0 HG2 GLU A 7 15.468 -11.311 -0.704 1.00 21.41 H new ATOM 0 HG3 GLU A 7 13.984 -10.387 -0.581 1.00 21.41 H new ATOM 97 N GLU A 8 11.436 -14.073 -2.261 1.00 23.23 N ATOM 98 CA GLU A 8 10.708 -15.315 -2.493 1.00 21.03 C ATOM 99 C GLU A 8 10.971 -15.845 -3.899 1.00 61.42 C ATOM 100 O GLU A 8 10.698 -17.009 -4.196 1.00 42.22 O ATOM 101 CB GLU A 8 9.207 -15.098 -2.290 1.00 41.53 C ATOM 102 CG GLU A 8 8.752 -15.293 -0.854 1.00 30.41 C ATOM 103 CD GLU A 8 7.357 -14.753 -0.605 1.00 61.20 C ATOM 104 OE1 GLU A 8 6.757 -14.204 -1.552 1.00 53.24 O ATOM 105 OE2 GLU A 8 6.866 -14.879 0.536 1.00 22.21 O ATOM 0 H GLU A 8 10.843 -13.261 -2.093 1.00 23.23 H new ATOM 0 HA GLU A 8 11.061 -16.053 -1.773 1.00 21.03 H new ATOM 0 HB2 GLU A 8 8.948 -14.089 -2.610 1.00 41.53 H new ATOM 0 HB3 GLU A 8 8.659 -15.787 -2.933 1.00 41.53 H new ATOM 0 HG2 GLU A 8 8.775 -16.355 -0.611 1.00 30.41 H new ATOM 0 HG3 GLU A 8 9.454 -14.797 -0.184 1.00 30.41 H new ATOM 112 N ILE A 9 11.502 -14.984 -4.760 1.00 40.22 N ATOM 113 CA ILE A 9 11.802 -15.365 -6.135 1.00 24.14 C ATOM 114 C ILE A 9 13.144 -16.084 -6.225 1.00 31.51 C ATOM 115 O ILE A 9 13.295 -17.046 -6.979 1.00 52.32 O ATOM 116 CB ILE A 9 11.826 -14.139 -7.067 1.00 23.25 C ATOM 117 CG1 ILE A 9 10.480 -13.413 -7.024 1.00 4.40 C ATOM 118 CG2 ILE A 9 12.162 -14.562 -8.489 1.00 55.31 C ATOM 119 CD1 ILE A 9 10.447 -12.153 -7.861 1.00 72.22 C ATOM 0 H ILE A 9 11.734 -14.018 -4.530 1.00 40.22 H new ATOM 0 HA ILE A 9 11.008 -16.039 -6.456 1.00 24.14 H new ATOM 0 HB ILE A 9 12.599 -13.452 -6.721 1.00 23.25 H new ATOM 0 HG12 ILE A 9 9.700 -14.090 -7.370 1.00 4.40 H new ATOM 0 HG13 ILE A 9 10.246 -13.159 -5.990 1.00 4.40 H new ATOM 0 HG21 ILE A 9 12.175 -13.685 -9.136 1.00 55.31 H new ATOM 0 HG22 ILE A 9 13.142 -15.039 -8.505 1.00 55.31 H new ATOM 0 HG23 ILE A 9 11.410 -15.265 -8.847 1.00 55.31 H new ATOM 0 HD11 ILE A 9 9.463 -11.690 -7.784 1.00 72.22 H new ATOM 0 HD12 ILE A 9 11.205 -11.457 -7.501 1.00 72.22 H new ATOM 0 HD13 ILE A 9 10.650 -12.403 -8.903 1.00 72.22 H new ATOM 131 N ARG A 10 14.115 -15.613 -5.449 1.00 60.55 N ATOM 132 CA ARG A 10 15.444 -16.212 -5.441 1.00 63.12 C ATOM 133 C ARG A 10 15.360 -17.720 -5.220 1.00 44.40 C ATOM 134 O ARG A 10 16.050 -18.493 -5.883 1.00 45.33 O ATOM 135 CB ARG A 10 16.308 -15.573 -4.352 1.00 31.40 C ATOM 136 CG ARG A 10 17.591 -16.337 -4.066 1.00 52.30 C ATOM 137 CD ARG A 10 17.434 -17.261 -2.869 1.00 72.30 C ATOM 138 NE ARG A 10 18.722 -17.745 -2.378 1.00 54.14 N ATOM 139 CZ ARG A 10 19.573 -16.996 -1.686 1.00 15.10 C ATOM 140 NH1 ARG A 10 19.273 -15.735 -1.404 1.00 24.52 N ATOM 141 NH2 ARG A 10 20.725 -17.508 -1.274 1.00 3.21 N ATOM 0 H ARG A 10 14.006 -14.819 -4.818 1.00 60.55 H new ATOM 0 HA ARG A 10 15.903 -16.030 -6.413 1.00 63.12 H new ATOM 0 HB2 ARG A 10 16.560 -14.555 -4.650 1.00 31.40 H new ATOM 0 HB3 ARG A 10 15.726 -15.501 -3.433 1.00 31.40 H new ATOM 0 HG2 ARG A 10 17.872 -16.920 -4.943 1.00 52.30 H new ATOM 0 HG3 ARG A 10 18.401 -15.632 -3.879 1.00 52.30 H new ATOM 0 HD2 ARG A 10 16.916 -16.732 -2.069 1.00 72.30 H new ATOM 0 HD3 ARG A 10 16.809 -18.110 -3.146 1.00 72.30 H new ATOM 0 HE ARG A 10 18.982 -18.711 -2.578 1.00 54.14 H new ATOM 0 HH11 ARG A 10 18.387 -15.339 -1.719 1.00 24.52 H new ATOM 0 HH12 ARG A 10 19.928 -15.162 -0.872 1.00 24.52 H new ATOM 0 HH21 ARG A 10 20.958 -18.478 -1.489 1.00 3.21 H new ATOM 0 HH22 ARG A 10 21.378 -16.932 -0.743 1.00 3.21 H new ATOM 155 N GLU A 11 14.511 -18.129 -4.283 1.00 54.40 N ATOM 156 CA GLU A 11 14.338 -19.543 -3.974 1.00 63.31 C ATOM 157 C GLU A 11 13.402 -20.209 -4.979 1.00 24.44 C ATOM 158 O GLU A 11 13.461 -21.420 -5.189 1.00 63.43 O ATOM 159 CB GLU A 11 13.789 -19.715 -2.557 1.00 34.25 C ATOM 160 CG GLU A 11 13.298 -21.122 -2.261 1.00 32.44 C ATOM 161 CD GLU A 11 13.512 -21.523 -0.814 1.00 3.01 C ATOM 162 OE1 GLU A 11 14.680 -21.538 -0.370 1.00 73.21 O ATOM 163 OE2 GLU A 11 12.514 -21.821 -0.126 1.00 31.21 O ATOM 0 H GLU A 11 13.932 -17.501 -3.725 1.00 54.40 H new ATOM 0 HA GLU A 11 15.314 -20.025 -4.038 1.00 63.31 H new ATOM 0 HB2 GLU A 11 14.567 -19.453 -1.841 1.00 34.25 H new ATOM 0 HB3 GLU A 11 12.968 -19.014 -2.407 1.00 34.25 H new ATOM 0 HG2 GLU A 11 12.237 -21.190 -2.500 1.00 32.44 H new ATOM 0 HG3 GLU A 11 13.817 -21.828 -2.910 1.00 32.44 H new ATOM 170 N ALA A 12 12.539 -19.409 -5.595 1.00 10.10 N ATOM 171 CA ALA A 12 11.591 -19.919 -6.578 1.00 25.41 C ATOM 172 C ALA A 12 12.309 -20.391 -7.838 1.00 54.35 C ATOM 173 O ALA A 12 11.891 -21.357 -8.478 1.00 4.32 O ATOM 174 CB ALA A 12 10.562 -18.853 -6.922 1.00 33.44 C ATOM 0 H ALA A 12 12.476 -18.404 -5.431 1.00 10.10 H new ATOM 0 HA ALA A 12 11.077 -20.775 -6.141 1.00 25.41 H new ATOM 0 HB1 ALA A 12 9.861 -19.248 -7.657 1.00 33.44 H new ATOM 0 HB2 ALA A 12 10.020 -18.566 -6.021 1.00 33.44 H new ATOM 0 HB3 ALA A 12 11.067 -17.980 -7.335 1.00 33.44 H new ATOM 180 N PHE A 13 13.389 -19.702 -8.191 1.00 62.42 N ATOM 181 CA PHE A 13 14.164 -20.050 -9.377 1.00 54.20 C ATOM 182 C PHE A 13 15.204 -21.118 -9.053 1.00 45.42 C ATOM 183 O PHE A 13 15.703 -21.805 -9.945 1.00 54.31 O ATOM 184 CB PHE A 13 14.852 -18.807 -9.945 1.00 55.22 C ATOM 185 CG PHE A 13 14.136 -18.212 -11.124 1.00 13.51 C ATOM 186 CD1 PHE A 13 14.399 -18.658 -12.409 1.00 5.41 C ATOM 187 CD2 PHE A 13 13.199 -17.206 -10.947 1.00 33.42 C ATOM 188 CE1 PHE A 13 13.743 -18.111 -13.495 1.00 53.01 C ATOM 189 CE2 PHE A 13 12.538 -16.656 -12.029 1.00 64.13 C ATOM 190 CZ PHE A 13 12.810 -17.110 -13.305 1.00 42.11 C ATOM 0 H PHE A 13 13.748 -18.900 -7.673 1.00 62.42 H new ATOM 0 HA PHE A 13 13.479 -20.451 -10.124 1.00 54.20 H new ATOM 0 HB2 PHE A 13 14.931 -18.055 -9.160 1.00 55.22 H new ATOM 0 HB3 PHE A 13 15.868 -19.067 -10.241 1.00 55.22 H new ATOM 0 HD1 PHE A 13 15.125 -19.442 -12.564 1.00 5.41 H new ATOM 0 HD2 PHE A 13 12.983 -16.848 -9.951 1.00 33.42 H new ATOM 0 HE1 PHE A 13 13.959 -18.466 -14.492 1.00 53.01 H new ATOM 0 HE2 PHE A 13 11.810 -15.873 -11.877 1.00 64.13 H new ATOM 0 HZ PHE A 13 12.294 -16.683 -14.152 1.00 42.11 H new ATOM 200 N ARG A 14 15.528 -21.250 -7.771 1.00 62.31 N ATOM 201 CA ARG A 14 16.511 -22.232 -7.329 1.00 33.51 C ATOM 202 C ARG A 14 15.868 -23.606 -7.160 1.00 21.14 C ATOM 203 O ARG A 14 16.494 -24.633 -7.424 1.00 51.20 O ATOM 204 CB ARG A 14 17.148 -21.790 -6.011 1.00 0.25 C ATOM 205 CG ARG A 14 18.622 -22.143 -5.898 1.00 42.40 C ATOM 206 CD ARG A 14 18.818 -23.565 -5.396 1.00 50.25 C ATOM 207 NE ARG A 14 19.214 -23.600 -3.991 1.00 42.12 N ATOM 208 CZ ARG A 14 20.436 -23.302 -3.565 1.00 3.14 C ATOM 209 NH1 ARG A 14 21.376 -22.948 -4.430 1.00 64.21 N ATOM 210 NH2 ARG A 14 20.720 -23.357 -2.270 1.00 21.05 N ATOM 0 H ARG A 14 15.124 -20.690 -7.020 1.00 62.31 H new ATOM 0 HA ARG A 14 17.285 -22.303 -8.093 1.00 33.51 H new ATOM 0 HB2 ARG A 14 17.032 -20.711 -5.905 1.00 0.25 H new ATOM 0 HB3 ARG A 14 16.608 -22.251 -5.184 1.00 0.25 H new ATOM 0 HG2 ARG A 14 19.100 -22.031 -6.871 1.00 42.40 H new ATOM 0 HG3 ARG A 14 19.113 -21.446 -5.219 1.00 42.40 H new ATOM 0 HD2 ARG A 14 17.892 -24.126 -5.526 1.00 50.25 H new ATOM 0 HD3 ARG A 14 19.578 -24.061 -5.999 1.00 50.25 H new ATOM 0 HE ARG A 14 18.514 -23.868 -3.299 1.00 42.12 H new ATOM 0 HH11 ARG A 14 21.162 -22.904 -5.426 1.00 64.21 H new ATOM 0 HH12 ARG A 14 22.314 -22.720 -4.099 1.00 64.21 H new ATOM 0 HH21 ARG A 14 19.999 -23.628 -1.601 1.00 21.05 H new ATOM 0 HH22 ARG A 14 21.659 -23.128 -1.944 1.00 21.05 H new ATOM 224 N VAL A 15 14.615 -23.617 -6.717 1.00 12.05 N ATOM 225 CA VAL A 15 13.887 -24.864 -6.512 1.00 50.33 C ATOM 226 C VAL A 15 13.391 -25.434 -7.836 1.00 52.44 C ATOM 227 O VAL A 15 13.184 -26.640 -7.967 1.00 34.24 O ATOM 228 CB VAL A 15 12.685 -24.664 -5.570 1.00 24.15 C ATOM 229 CG1 VAL A 15 11.879 -25.949 -5.453 1.00 10.52 C ATOM 230 CG2 VAL A 15 13.155 -24.193 -4.201 1.00 72.42 C ATOM 0 H VAL A 15 14.083 -22.776 -6.493 1.00 12.05 H new ATOM 0 HA VAL A 15 14.584 -25.566 -6.055 1.00 50.33 H new ATOM 0 HB VAL A 15 12.038 -23.895 -5.992 1.00 24.15 H new ATOM 0 HG11 VAL A 15 11.034 -25.789 -4.784 1.00 10.52 H new ATOM 0 HG12 VAL A 15 11.512 -26.239 -6.437 1.00 10.52 H new ATOM 0 HG13 VAL A 15 12.513 -26.741 -5.054 1.00 10.52 H new ATOM 0 HG21 VAL A 15 12.293 -24.057 -3.548 1.00 72.42 H new ATOM 0 HG22 VAL A 15 13.823 -24.938 -3.769 1.00 72.42 H new ATOM 0 HG23 VAL A 15 13.686 -23.246 -4.304 1.00 72.42 H new ATOM 240 N PHE A 16 13.202 -24.558 -8.818 1.00 5.42 N ATOM 241 CA PHE A 16 12.730 -24.973 -10.133 1.00 71.23 C ATOM 242 C PHE A 16 13.810 -25.752 -10.878 1.00 43.33 C ATOM 243 O PHE A 16 13.514 -26.673 -11.639 1.00 34.21 O ATOM 244 CB PHE A 16 12.306 -23.754 -10.955 1.00 33.12 C ATOM 245 CG PHE A 16 10.837 -23.452 -10.865 1.00 21.12 C ATOM 246 CD1 PHE A 16 10.190 -23.455 -9.640 1.00 13.22 C ATOM 247 CD2 PHE A 16 10.104 -23.165 -12.005 1.00 42.00 C ATOM 248 CE1 PHE A 16 8.838 -23.178 -9.554 1.00 63.14 C ATOM 249 CE2 PHE A 16 8.753 -22.887 -11.926 1.00 35.02 C ATOM 250 CZ PHE A 16 8.119 -22.893 -10.699 1.00 1.44 C ATOM 0 H PHE A 16 13.369 -23.556 -8.727 1.00 5.42 H new ATOM 0 HA PHE A 16 11.868 -25.625 -9.992 1.00 71.23 H new ATOM 0 HB2 PHE A 16 12.869 -22.884 -10.617 1.00 33.12 H new ATOM 0 HB3 PHE A 16 12.572 -23.920 -11.999 1.00 33.12 H new ATOM 0 HD1 PHE A 16 10.748 -23.676 -8.742 1.00 13.22 H new ATOM 0 HD2 PHE A 16 10.595 -23.159 -12.967 1.00 42.00 H new ATOM 0 HE1 PHE A 16 8.345 -23.184 -8.593 1.00 63.14 H new ATOM 0 HE2 PHE A 16 8.193 -22.665 -12.823 1.00 35.02 H new ATOM 0 HZ PHE A 16 7.063 -22.675 -10.635 1.00 1.44 H new ATOM 260 N ASP A 17 15.064 -25.374 -10.654 1.00 51.24 N ATOM 261 CA ASP A 17 16.190 -26.036 -11.303 1.00 54.23 C ATOM 262 C ASP A 17 16.818 -27.073 -10.377 1.00 53.33 C ATOM 263 O ASP A 17 16.907 -26.867 -9.167 1.00 30.03 O ATOM 264 CB ASP A 17 17.240 -25.007 -11.724 1.00 62.14 C ATOM 265 CG ASP A 17 18.193 -25.548 -12.772 1.00 23.33 C ATOM 266 OD1 ASP A 17 17.854 -25.486 -13.972 1.00 42.42 O ATOM 267 OD2 ASP A 17 19.279 -26.034 -12.391 1.00 52.10 O ATOM 0 H ASP A 17 15.326 -24.613 -10.028 1.00 51.24 H new ATOM 0 HA ASP A 17 15.817 -26.547 -12.191 1.00 54.23 H new ATOM 0 HB2 ASP A 17 16.740 -24.121 -12.115 1.00 62.14 H new ATOM 0 HB3 ASP A 17 17.808 -24.693 -10.848 1.00 62.14 H new ATOM 272 N LYS A 18 17.251 -28.189 -10.954 1.00 52.52 N ATOM 273 CA LYS A 18 17.871 -29.259 -10.182 1.00 51.31 C ATOM 274 C LYS A 18 19.180 -28.790 -9.556 1.00 3.41 C ATOM 275 O LYS A 18 19.721 -27.749 -9.931 1.00 14.23 O ATOM 276 CB LYS A 18 18.127 -30.476 -11.073 1.00 71.23 C ATOM 277 CG LYS A 18 17.295 -31.690 -10.698 1.00 21.40 C ATOM 278 CD LYS A 18 16.884 -32.486 -11.926 1.00 24.14 C ATOM 279 CE LYS A 18 16.494 -33.910 -11.562 1.00 33.34 C ATOM 280 NZ LYS A 18 15.539 -34.492 -12.546 1.00 24.35 N ATOM 0 H LYS A 18 17.184 -28.376 -11.954 1.00 52.52 H new ATOM 0 HA LYS A 18 17.186 -29.540 -9.382 1.00 51.31 H new ATOM 0 HB2 LYS A 18 17.917 -30.208 -12.109 1.00 71.23 H new ATOM 0 HB3 LYS A 18 19.183 -30.739 -11.019 1.00 71.23 H new ATOM 0 HG2 LYS A 18 17.865 -32.329 -10.023 1.00 21.40 H new ATOM 0 HG3 LYS A 18 16.405 -31.369 -10.157 1.00 21.40 H new ATOM 0 HD2 LYS A 18 16.046 -31.992 -12.417 1.00 24.14 H new ATOM 0 HD3 LYS A 18 17.706 -32.504 -12.641 1.00 24.14 H new ATOM 0 HE2 LYS A 18 17.389 -34.531 -11.514 1.00 33.34 H new ATOM 0 HE3 LYS A 18 16.044 -33.921 -10.569 1.00 33.34 H new ATOM 0 HZ1 LYS A 18 15.298 -35.463 -12.263 1.00 24.35 H new ATOM 0 HZ2 LYS A 18 14.675 -33.914 -12.574 1.00 24.35 H new ATOM 0 HZ3 LYS A 18 15.977 -34.505 -13.489 1.00 24.35 H new ATOM 294 N ASP A 19 19.686 -29.564 -8.602 1.00 75.13 N ATOM 295 CA ASP A 19 20.933 -29.229 -7.926 1.00 43.11 C ATOM 296 C ASP A 19 22.080 -29.119 -8.926 1.00 5.44 C ATOM 297 O ASP A 19 22.159 -29.887 -9.883 1.00 22.31 O ATOM 298 CB ASP A 19 21.263 -30.282 -6.867 1.00 10.23 C ATOM 299 CG ASP A 19 20.346 -30.198 -5.663 1.00 34.54 C ATOM 300 OD1 ASP A 19 20.215 -29.096 -5.091 1.00 4.34 O ATOM 301 OD2 ASP A 19 19.757 -31.236 -5.293 1.00 2.33 O ATOM 0 H ASP A 19 19.251 -30.428 -8.280 1.00 75.13 H new ATOM 0 HA ASP A 19 20.805 -28.263 -7.438 1.00 43.11 H new ATOM 0 HB2 ASP A 19 21.187 -31.275 -7.310 1.00 10.23 H new ATOM 0 HB3 ASP A 19 22.296 -30.156 -6.543 1.00 10.23 H new ATOM 306 N GLY A 20 22.968 -28.156 -8.696 1.00 42.43 N ATOM 307 CA GLY A 20 24.098 -27.961 -9.586 1.00 24.43 C ATOM 308 C GLY A 20 24.286 -26.509 -9.976 1.00 52.24 C ATOM 309 O GLY A 20 25.155 -25.822 -9.441 1.00 32.42 O ATOM 0 H GLY A 20 22.925 -27.508 -7.910 1.00 42.43 H new ATOM 0 HA2 GLY A 20 25.005 -28.324 -9.102 1.00 24.43 H new ATOM 0 HA3 GLY A 20 23.955 -28.560 -10.486 1.00 24.43 H new ATOM 313 N ASN A 21 23.469 -26.040 -10.914 1.00 42.14 N ATOM 314 CA ASN A 21 23.551 -24.660 -11.378 1.00 52.43 C ATOM 315 C ASN A 21 22.227 -23.934 -11.162 1.00 15.35 C ATOM 316 O ASN A 21 21.308 -24.468 -10.541 1.00 42.31 O ATOM 317 CB ASN A 21 23.931 -24.619 -12.860 1.00 32.21 C ATOM 318 CG ASN A 21 25.016 -25.621 -13.206 1.00 13.30 C ATOM 319 OD1 ASN A 21 26.068 -25.659 -12.567 1.00 55.34 O ATOM 320 ND2 ASN A 21 24.764 -26.438 -14.222 1.00 40.11 N ATOM 0 H ASN A 21 22.743 -26.595 -11.367 1.00 42.14 H new ATOM 0 HA ASN A 21 24.322 -24.154 -10.798 1.00 52.43 H new ATOM 0 HB2 ASN A 21 23.047 -24.821 -13.465 1.00 32.21 H new ATOM 0 HB3 ASN A 21 24.271 -23.616 -13.118 1.00 32.21 H new ATOM 0 HD21 ASN A 21 25.456 -27.133 -14.501 1.00 40.11 H new ATOM 0 HD22 ASN A 21 23.878 -26.371 -14.723 1.00 40.11 H new ATOM 327 N GLY A 22 22.136 -22.712 -11.678 1.00 52.05 N ATOM 328 CA GLY A 22 20.921 -21.933 -11.531 1.00 55.45 C ATOM 329 C GLY A 22 20.445 -21.347 -12.846 1.00 74.11 C ATOM 330 O GLY A 22 20.215 -20.142 -12.950 1.00 35.01 O ATOM 0 H GLY A 22 22.883 -22.248 -12.195 1.00 52.05 H new ATOM 0 HA2 GLY A 22 20.137 -22.564 -11.113 1.00 55.45 H new ATOM 0 HA3 GLY A 22 21.094 -21.126 -10.819 1.00 55.45 H new ATOM 334 N TYR A 23 20.298 -22.201 -13.853 1.00 41.43 N ATOM 335 CA TYR A 23 19.851 -21.760 -15.169 1.00 74.33 C ATOM 336 C TYR A 23 18.664 -22.591 -15.647 1.00 74.12 C ATOM 337 O TYR A 23 18.752 -23.814 -15.758 1.00 64.21 O ATOM 338 CB TYR A 23 20.995 -21.858 -16.179 1.00 42.23 C ATOM 339 CG TYR A 23 22.199 -21.019 -15.814 1.00 14.53 C ATOM 340 CD1 TYR A 23 23.083 -21.431 -14.825 1.00 44.40 C ATOM 341 CD2 TYR A 23 22.451 -19.814 -16.458 1.00 1.51 C ATOM 342 CE1 TYR A 23 24.184 -20.667 -14.487 1.00 55.53 C ATOM 343 CE2 TYR A 23 23.550 -19.044 -16.128 1.00 13.42 C ATOM 344 CZ TYR A 23 24.413 -19.474 -15.142 1.00 35.04 C ATOM 345 OH TYR A 23 25.508 -18.711 -14.809 1.00 41.30 O ATOM 0 H TYR A 23 20.482 -23.202 -13.783 1.00 41.43 H new ATOM 0 HA TYR A 23 19.535 -20.720 -15.088 1.00 74.33 H new ATOM 0 HB2 TYR A 23 21.302 -22.900 -16.267 1.00 42.23 H new ATOM 0 HB3 TYR A 23 20.631 -21.549 -17.159 1.00 42.23 H new ATOM 0 HD1 TYR A 23 22.907 -22.365 -14.311 1.00 44.40 H new ATOM 0 HD2 TYR A 23 21.777 -19.473 -17.230 1.00 1.51 H new ATOM 0 HE1 TYR A 23 24.861 -21.002 -13.715 1.00 55.53 H new ATOM 0 HE2 TYR A 23 23.732 -18.110 -16.640 1.00 13.42 H new ATOM 0 HH TYR A 23 25.525 -17.903 -15.364 1.00 41.30 H new ATOM 355 N ILE A 24 17.554 -21.917 -15.929 1.00 73.23 N ATOM 356 CA ILE A 24 16.349 -22.592 -16.397 1.00 42.30 C ATOM 357 C ILE A 24 16.113 -22.330 -17.881 1.00 5.23 C ATOM 358 O ILE A 24 16.785 -21.497 -18.489 1.00 1.42 O ATOM 359 CB ILE A 24 15.108 -22.141 -15.604 1.00 71.42 C ATOM 360 CG1 ILE A 24 14.942 -20.623 -15.694 1.00 12.01 C ATOM 361 CG2 ILE A 24 15.218 -22.583 -14.152 1.00 52.15 C ATOM 362 CD1 ILE A 24 13.681 -20.194 -16.411 1.00 60.44 C ATOM 0 H ILE A 24 17.464 -20.905 -15.842 1.00 73.23 H new ATOM 0 HA ILE A 24 16.503 -23.659 -16.239 1.00 42.30 H new ATOM 0 HB ILE A 24 14.226 -22.610 -16.040 1.00 71.42 H new ATOM 0 HG12 ILE A 24 14.937 -20.206 -14.687 1.00 12.01 H new ATOM 0 HG13 ILE A 24 15.805 -20.201 -16.210 1.00 12.01 H new ATOM 0 HG21 ILE A 24 14.334 -22.257 -13.604 1.00 52.15 H new ATOM 0 HG22 ILE A 24 15.293 -23.670 -14.107 1.00 52.15 H new ATOM 0 HG23 ILE A 24 16.107 -22.140 -13.703 1.00 52.15 H new ATOM 0 HD11 ILE A 24 13.630 -19.106 -16.437 1.00 60.44 H new ATOM 0 HD12 ILE A 24 13.692 -20.581 -17.430 1.00 60.44 H new ATOM 0 HD13 ILE A 24 12.811 -20.586 -15.883 1.00 60.44 H new ATOM 374 N SER A 25 15.154 -23.046 -18.457 1.00 74.12 N ATOM 375 CA SER A 25 14.830 -22.893 -19.871 1.00 12.13 C ATOM 376 C SER A 25 13.666 -21.925 -20.060 1.00 0.44 C ATOM 377 O SER A 25 13.007 -21.533 -19.097 1.00 24.34 O ATOM 378 CB SER A 25 14.484 -24.250 -20.486 1.00 70.15 C ATOM 379 OG SER A 25 13.096 -24.516 -20.387 1.00 33.42 O ATOM 0 H SER A 25 14.587 -23.738 -17.967 1.00 74.12 H new ATOM 0 HA SER A 25 15.705 -22.485 -20.377 1.00 12.13 H new ATOM 0 HB2 SER A 25 14.787 -24.266 -21.533 1.00 70.15 H new ATOM 0 HB3 SER A 25 15.045 -25.036 -19.980 1.00 70.15 H new ATOM 0 HG SER A 25 12.901 -25.388 -20.789 1.00 33.42 H new ATOM 385 N ALA A 26 13.419 -21.542 -21.308 1.00 64.33 N ATOM 386 CA ALA A 26 12.335 -20.622 -21.625 1.00 54.32 C ATOM 387 C ALA A 26 11.040 -21.042 -20.938 1.00 53.12 C ATOM 388 O ALA A 26 10.339 -20.216 -20.354 1.00 43.54 O ATOM 389 CB ALA A 26 12.133 -20.542 -23.131 1.00 45.52 C ATOM 0 H ALA A 26 13.956 -21.855 -22.117 1.00 64.33 H new ATOM 0 HA ALA A 26 12.610 -19.635 -21.253 1.00 54.32 H new ATOM 0 HB1 ALA A 26 11.320 -19.851 -23.353 1.00 45.52 H new ATOM 0 HB2 ALA A 26 13.049 -20.187 -23.603 1.00 45.52 H new ATOM 0 HB3 ALA A 26 11.885 -21.530 -23.518 1.00 45.52 H new ATOM 395 N ALA A 27 10.727 -22.332 -21.013 1.00 2.52 N ATOM 396 CA ALA A 27 9.517 -22.861 -20.397 1.00 30.11 C ATOM 397 C ALA A 27 9.402 -22.417 -18.942 1.00 72.45 C ATOM 398 O ALA A 27 8.455 -21.726 -18.568 1.00 12.43 O ATOM 399 CB ALA A 27 9.498 -24.380 -20.490 1.00 42.45 C ATOM 0 H ALA A 27 11.295 -23.029 -21.494 1.00 2.52 H new ATOM 0 HA ALA A 27 8.659 -22.464 -20.940 1.00 30.11 H new ATOM 0 HB1 ALA A 27 8.589 -24.762 -20.026 1.00 42.45 H new ATOM 0 HB2 ALA A 27 9.525 -24.681 -21.537 1.00 42.45 H new ATOM 0 HB3 ALA A 27 10.367 -24.787 -19.973 1.00 42.45 H new ATOM 405 N ASP A 28 10.370 -22.820 -18.128 1.00 25.24 N ATOM 406 CA ASP A 28 10.378 -22.464 -16.714 1.00 12.54 C ATOM 407 C ASP A 28 10.261 -20.953 -16.533 1.00 64.25 C ATOM 408 O ASP A 28 9.717 -20.476 -15.537 1.00 22.13 O ATOM 409 CB ASP A 28 11.655 -22.973 -16.044 1.00 1.41 C ATOM 410 CG ASP A 28 11.458 -24.313 -15.364 1.00 15.15 C ATOM 411 OD1 ASP A 28 10.365 -24.537 -14.801 1.00 64.14 O ATOM 412 OD2 ASP A 28 12.395 -25.137 -15.392 1.00 64.44 O ATOM 0 H ASP A 28 11.160 -23.394 -18.423 1.00 25.24 H new ATOM 0 HA ASP A 28 9.517 -22.936 -16.242 1.00 12.54 H new ATOM 0 HB2 ASP A 28 12.444 -23.061 -16.791 1.00 1.41 H new ATOM 0 HB3 ASP A 28 11.992 -22.242 -15.309 1.00 1.41 H new ATOM 417 N LEU A 29 10.777 -20.206 -17.503 1.00 53.42 N ATOM 418 CA LEU A 29 10.732 -18.748 -17.452 1.00 32.43 C ATOM 419 C LEU A 29 9.309 -18.240 -17.660 1.00 11.22 C ATOM 420 O LEU A 29 8.769 -17.516 -16.823 1.00 44.51 O ATOM 421 CB LEU A 29 11.659 -18.152 -18.512 1.00 71.13 C ATOM 422 CG LEU A 29 12.040 -16.684 -18.322 1.00 11.42 C ATOM 423 CD1 LEU A 29 13.261 -16.336 -19.158 1.00 64.14 C ATOM 424 CD2 LEU A 29 10.870 -15.778 -18.680 1.00 64.34 C ATOM 0 H LEU A 29 11.231 -20.585 -18.334 1.00 53.42 H new ATOM 0 HA LEU A 29 11.070 -18.433 -16.465 1.00 32.43 H new ATOM 0 HB2 LEU A 29 12.574 -18.743 -18.539 1.00 71.13 H new ATOM 0 HB3 LEU A 29 11.181 -18.259 -19.486 1.00 71.13 H new ATOM 0 HG LEU A 29 12.288 -16.527 -17.272 1.00 11.42 H new ATOM 0 HD11 LEU A 29 13.517 -15.287 -19.009 1.00 64.14 H new ATOM 0 HD12 LEU A 29 14.101 -16.961 -18.853 1.00 64.14 H new ATOM 0 HD13 LEU A 29 13.042 -16.510 -20.212 1.00 64.14 H new ATOM 0 HD21 LEU A 29 11.160 -14.737 -18.539 1.00 64.34 H new ATOM 0 HD22 LEU A 29 10.591 -15.939 -19.721 1.00 64.34 H new ATOM 0 HD23 LEU A 29 10.021 -16.009 -18.037 1.00 64.34 H new ATOM 436 N ARG A 30 8.706 -18.626 -18.780 1.00 11.45 N ATOM 437 CA ARG A 30 7.345 -18.209 -19.097 1.00 22.50 C ATOM 438 C ARG A 30 6.403 -18.495 -17.931 1.00 4.12 C ATOM 439 O ARG A 30 5.437 -17.766 -17.707 1.00 13.42 O ATOM 440 CB ARG A 30 6.850 -18.927 -20.354 1.00 32.11 C ATOM 441 CG ARG A 30 6.114 -18.018 -21.324 1.00 53.32 C ATOM 442 CD ARG A 30 5.031 -18.771 -22.081 1.00 42.14 C ATOM 443 NE ARG A 30 5.559 -19.950 -22.762 1.00 70.22 N ATOM 444 CZ ARG A 30 4.871 -20.653 -23.655 1.00 34.34 C ATOM 445 NH1 ARG A 30 3.634 -20.297 -23.973 1.00 33.34 N ATOM 446 NH2 ARG A 30 5.420 -21.715 -24.231 1.00 53.34 N ATOM 0 H ARG A 30 9.138 -19.226 -19.482 1.00 11.45 H new ATOM 0 HA ARG A 30 7.354 -17.134 -19.279 1.00 22.50 H new ATOM 0 HB2 ARG A 30 7.702 -19.376 -20.865 1.00 32.11 H new ATOM 0 HB3 ARG A 30 6.189 -19.742 -20.060 1.00 32.11 H new ATOM 0 HG2 ARG A 30 5.667 -17.187 -20.778 1.00 53.32 H new ATOM 0 HG3 ARG A 30 6.823 -17.589 -22.032 1.00 53.32 H new ATOM 0 HD2 ARG A 30 4.247 -19.074 -21.387 1.00 42.14 H new ATOM 0 HD3 ARG A 30 4.570 -18.106 -22.812 1.00 42.14 H new ATOM 0 HE ARG A 30 6.508 -20.250 -22.540 1.00 70.22 H new ATOM 0 HH11 ARG A 30 3.209 -19.482 -23.532 1.00 33.34 H new ATOM 0 HH12 ARG A 30 3.108 -20.838 -24.659 1.00 33.34 H new ATOM 0 HH21 ARG A 30 6.371 -21.992 -23.988 1.00 53.34 H new ATOM 0 HH22 ARG A 30 4.891 -22.254 -24.916 1.00 53.34 H new ATOM 460 N HIS A 31 6.692 -19.561 -17.191 1.00 71.01 N ATOM 461 CA HIS A 31 5.871 -19.943 -16.048 1.00 32.14 C ATOM 462 C HIS A 31 6.027 -18.941 -14.908 1.00 23.45 C ATOM 463 O HIS A 31 5.042 -18.418 -14.387 1.00 73.33 O ATOM 464 CB HIS A 31 6.249 -21.344 -15.567 1.00 23.24 C ATOM 465 CG HIS A 31 5.092 -22.294 -15.520 1.00 65.30 C ATOM 466 ND1 HIS A 31 3.884 -21.981 -14.934 1.00 24.14 N ATOM 467 CD2 HIS A 31 4.963 -23.556 -15.993 1.00 45.01 C ATOM 468 CE1 HIS A 31 3.063 -23.010 -15.046 1.00 40.43 C ATOM 469 NE2 HIS A 31 3.693 -23.978 -15.686 1.00 24.21 N ATOM 0 H HIS A 31 7.488 -20.175 -17.363 1.00 71.01 H new ATOM 0 HA HIS A 31 4.828 -19.946 -16.366 1.00 32.14 H new ATOM 0 HB2 HIS A 31 7.016 -21.751 -16.226 1.00 23.24 H new ATOM 0 HB3 HIS A 31 6.689 -21.271 -14.573 1.00 23.24 H new ATOM 0 HD2 HIS A 31 5.718 -24.125 -16.515 1.00 45.01 H new ATOM 0 HE1 HIS A 31 2.049 -23.052 -14.677 1.00 40.43 H new ATOM 0 HE2 HIS A 31 3.300 -24.891 -15.915 1.00 24.21 H new ATOM 477 N VAL A 32 7.273 -18.679 -14.523 1.00 74.22 N ATOM 478 CA VAL A 32 7.558 -17.740 -13.445 1.00 62.21 C ATOM 479 C VAL A 32 7.039 -16.346 -13.779 1.00 21.15 C ATOM 480 O VAL A 32 6.442 -15.677 -12.936 1.00 21.14 O ATOM 481 CB VAL A 32 9.069 -17.658 -13.158 1.00 22.22 C ATOM 482 CG1 VAL A 32 9.335 -16.780 -11.945 1.00 24.03 C ATOM 483 CG2 VAL A 32 9.649 -19.050 -12.956 1.00 60.12 C ATOM 0 H VAL A 32 8.100 -19.104 -14.942 1.00 74.22 H new ATOM 0 HA VAL A 32 7.046 -18.112 -12.557 1.00 62.21 H new ATOM 0 HB VAL A 32 9.561 -17.206 -14.019 1.00 22.22 H new ATOM 0 HG11 VAL A 32 10.408 -16.734 -11.757 1.00 24.03 H new ATOM 0 HG12 VAL A 32 8.956 -15.775 -12.133 1.00 24.03 H new ATOM 0 HG13 VAL A 32 8.832 -17.201 -11.074 1.00 24.03 H new ATOM 0 HG21 VAL A 32 10.717 -18.973 -12.754 1.00 60.12 H new ATOM 0 HG22 VAL A 32 9.154 -19.531 -12.113 1.00 60.12 H new ATOM 0 HG23 VAL A 32 9.492 -19.644 -13.856 1.00 60.12 H new ATOM 493 N MET A 33 7.271 -15.914 -15.014 1.00 35.40 N ATOM 494 CA MET A 33 6.824 -14.599 -15.460 1.00 23.53 C ATOM 495 C MET A 33 5.301 -14.524 -15.491 1.00 1.02 C ATOM 496 O MET A 33 4.697 -13.677 -14.832 1.00 1.22 O ATOM 497 CB MET A 33 7.390 -14.288 -16.847 1.00 24.25 C ATOM 498 CG MET A 33 8.512 -13.262 -16.829 1.00 15.10 C ATOM 499 SD MET A 33 8.075 -11.741 -17.694 1.00 32.31 S ATOM 500 CE MET A 33 9.055 -11.906 -19.184 1.00 5.33 C ATOM 0 H MET A 33 7.766 -16.455 -15.724 1.00 35.40 H new ATOM 0 HA MET A 33 7.192 -13.858 -14.751 1.00 23.53 H new ATOM 0 HB2 MET A 33 7.759 -15.210 -17.295 1.00 24.25 H new ATOM 0 HB3 MET A 33 6.585 -13.923 -17.486 1.00 24.25 H new ATOM 0 HG2 MET A 33 8.768 -13.027 -15.796 1.00 15.10 H new ATOM 0 HG3 MET A 33 9.402 -13.694 -17.288 1.00 15.10 H new ATOM 0 HE1 MET A 33 8.578 -11.357 -19.996 1.00 5.33 H new ATOM 0 HE2 MET A 33 10.052 -11.502 -19.010 1.00 5.33 H new ATOM 0 HE3 MET A 33 9.132 -12.959 -19.454 1.00 5.33 H new ATOM 510 N THR A 34 4.684 -15.415 -16.261 1.00 22.11 N ATOM 511 CA THR A 34 3.232 -15.448 -16.379 1.00 20.21 C ATOM 512 C THR A 34 2.573 -15.619 -15.015 1.00 3.53 C ATOM 513 O THR A 34 1.411 -15.263 -14.828 1.00 13.32 O ATOM 514 CB THR A 34 2.769 -16.588 -17.306 1.00 25.34 C ATOM 515 OG1 THR A 34 3.353 -16.432 -18.604 1.00 0.32 O ATOM 516 CG2 THR A 34 1.253 -16.607 -17.425 1.00 20.54 C ATOM 0 H THR A 34 5.168 -16.124 -16.812 1.00 22.11 H new ATOM 0 HA THR A 34 2.929 -14.494 -16.809 1.00 20.21 H new ATOM 0 HB THR A 34 3.095 -17.534 -16.873 1.00 25.34 H new ATOM 0 HG1 THR A 34 4.235 -16.859 -18.619 1.00 0.32 H new ATOM 0 HG21 THR A 34 0.950 -17.420 -18.084 1.00 20.54 H new ATOM 0 HG22 THR A 34 0.812 -16.756 -16.439 1.00 20.54 H new ATOM 0 HG23 THR A 34 0.908 -15.658 -17.837 1.00 20.54 H new ATOM 524 N ASN A 35 3.325 -16.165 -14.064 1.00 54.50 N ATOM 525 CA ASN A 35 2.813 -16.382 -12.716 1.00 13.22 C ATOM 526 C ASN A 35 3.041 -15.152 -11.843 1.00 14.34 C ATOM 527 O ASN A 35 2.236 -14.844 -10.962 1.00 51.33 O ATOM 528 CB ASN A 35 3.485 -17.602 -12.083 1.00 41.10 C ATOM 529 CG ASN A 35 3.130 -17.763 -10.618 1.00 12.45 C ATOM 530 OD1 ASN A 35 4.008 -17.910 -9.767 1.00 73.31 O ATOM 531 ND2 ASN A 35 1.837 -17.735 -10.316 1.00 11.12 N ATOM 0 H ASN A 35 4.290 -16.465 -14.202 1.00 54.50 H new ATOM 0 HA ASN A 35 1.740 -16.562 -12.786 1.00 13.22 H new ATOM 0 HB2 ASN A 35 3.189 -18.499 -12.626 1.00 41.10 H new ATOM 0 HB3 ASN A 35 4.566 -17.511 -12.184 1.00 41.10 H new ATOM 0 HD21 ASN A 35 1.537 -17.838 -9.346 1.00 11.12 H new ATOM 0 HD22 ASN A 35 1.144 -17.611 -11.054 1.00 11.12 H new ATOM 538 N LEU A 36 4.142 -14.452 -12.092 1.00 53.32 N ATOM 539 CA LEU A 36 4.476 -13.254 -11.330 1.00 1.14 C ATOM 540 C LEU A 36 4.027 -11.996 -12.067 1.00 24.13 C ATOM 541 O LEU A 36 4.715 -10.976 -12.050 1.00 71.03 O ATOM 542 CB LEU A 36 5.982 -13.196 -11.068 1.00 42.33 C ATOM 543 CG LEU A 36 6.532 -14.224 -10.079 1.00 11.54 C ATOM 544 CD1 LEU A 36 8.037 -14.367 -10.239 1.00 4.21 C ATOM 545 CD2 LEU A 36 6.181 -13.830 -8.651 1.00 73.32 C ATOM 0 H LEU A 36 4.819 -14.693 -12.816 1.00 53.32 H new ATOM 0 HA LEU A 36 3.949 -13.301 -10.377 1.00 1.14 H new ATOM 0 HB2 LEU A 36 6.501 -13.322 -12.018 1.00 42.33 H new ATOM 0 HB3 LEU A 36 6.228 -12.200 -10.700 1.00 42.33 H new ATOM 0 HG LEU A 36 6.072 -15.188 -10.293 1.00 11.54 H new ATOM 0 HD11 LEU A 36 8.410 -15.103 -9.527 1.00 4.21 H new ATOM 0 HD12 LEU A 36 8.266 -14.695 -11.253 1.00 4.21 H new ATOM 0 HD13 LEU A 36 8.516 -13.406 -10.052 1.00 4.21 H new ATOM 0 HD21 LEU A 36 6.580 -14.573 -7.960 1.00 73.32 H new ATOM 0 HD22 LEU A 36 6.614 -12.855 -8.426 1.00 73.32 H new ATOM 0 HD23 LEU A 36 5.098 -13.780 -8.543 1.00 73.32 H new ATOM 557 N GLY A 37 2.867 -12.076 -12.712 1.00 24.23 N ATOM 558 CA GLY A 37 2.346 -10.937 -13.444 1.00 35.11 C ATOM 559 C GLY A 37 0.896 -10.647 -13.108 1.00 42.32 C ATOM 560 O GLY A 37 0.507 -10.668 -11.941 1.00 71.42 O ATOM 0 H GLY A 37 2.279 -12.909 -12.740 1.00 24.23 H new ATOM 0 HA2 GLY A 37 2.951 -10.058 -13.221 1.00 35.11 H new ATOM 0 HA3 GLY A 37 2.438 -11.124 -14.514 1.00 35.11 H new ATOM 564 N GLU A 38 0.096 -10.373 -14.134 1.00 2.50 N ATOM 565 CA GLU A 38 -1.318 -10.074 -13.940 1.00 41.14 C ATOM 566 C GLU A 38 -2.052 -10.025 -15.278 1.00 3.05 C ATOM 567 O GLU A 38 -2.905 -10.866 -15.562 1.00 11.41 O ATOM 568 CB GLU A 38 -1.485 -8.742 -13.206 1.00 21.25 C ATOM 569 CG GLU A 38 -2.925 -8.427 -12.836 1.00 63.14 C ATOM 570 CD GLU A 38 -3.256 -6.955 -12.984 1.00 2.44 C ATOM 571 OE1 GLU A 38 -3.198 -6.444 -14.121 1.00 42.34 O ATOM 572 OE2 GLU A 38 -3.573 -6.313 -11.960 1.00 33.41 O ATOM 0 H GLU A 38 0.403 -10.352 -15.107 1.00 2.50 H new ATOM 0 HA GLU A 38 -1.752 -10.871 -13.335 1.00 41.14 H new ATOM 0 HB2 GLU A 38 -0.881 -8.759 -12.299 1.00 21.25 H new ATOM 0 HB3 GLU A 38 -1.096 -7.940 -13.833 1.00 21.25 H new ATOM 0 HG2 GLU A 38 -3.595 -9.011 -13.467 1.00 63.14 H new ATOM 0 HG3 GLU A 38 -3.107 -8.735 -11.806 1.00 63.14 H new ATOM 579 N LYS A 39 -1.714 -9.034 -16.095 1.00 45.32 N ATOM 580 CA LYS A 39 -2.338 -8.873 -17.403 1.00 20.20 C ATOM 581 C LYS A 39 -1.295 -8.552 -18.468 1.00 43.23 C ATOM 582 O LYS A 39 -1.018 -7.385 -18.749 1.00 55.32 O ATOM 583 CB LYS A 39 -3.392 -7.765 -17.355 1.00 42.42 C ATOM 584 CG LYS A 39 -4.810 -8.280 -17.179 1.00 25.24 C ATOM 585 CD LYS A 39 -5.727 -7.777 -18.280 1.00 13.41 C ATOM 586 CE LYS A 39 -7.133 -8.338 -18.134 1.00 33.20 C ATOM 587 NZ LYS A 39 -7.998 -7.976 -19.291 1.00 11.11 N ATOM 0 H LYS A 39 -1.010 -8.329 -15.874 1.00 45.32 H new ATOM 0 HA LYS A 39 -2.821 -9.814 -17.666 1.00 20.20 H new ATOM 0 HB2 LYS A 39 -3.157 -7.087 -16.535 1.00 42.42 H new ATOM 0 HB3 LYS A 39 -3.337 -7.183 -18.275 1.00 42.42 H new ATOM 0 HG2 LYS A 39 -4.805 -9.370 -17.179 1.00 25.24 H new ATOM 0 HG3 LYS A 39 -5.196 -7.963 -16.210 1.00 25.24 H new ATOM 0 HD2 LYS A 39 -5.764 -6.688 -18.255 1.00 13.41 H new ATOM 0 HD3 LYS A 39 -5.320 -8.060 -19.251 1.00 13.41 H new ATOM 0 HE2 LYS A 39 -7.083 -9.423 -18.043 1.00 33.20 H new ATOM 0 HE3 LYS A 39 -7.581 -7.961 -17.214 1.00 33.20 H new ATOM 0 HZ1 LYS A 39 -8.948 -8.377 -19.153 1.00 11.11 H new ATOM 0 HZ2 LYS A 39 -8.066 -6.941 -19.363 1.00 11.11 H new ATOM 0 HZ3 LYS A 39 -7.585 -8.357 -20.166 1.00 11.11 H new ATOM 601 N LEU A 40 -0.719 -9.593 -19.059 1.00 72.12 N ATOM 602 CA LEU A 40 0.293 -9.422 -20.096 1.00 1.54 C ATOM 603 C LEU A 40 0.110 -10.447 -21.210 1.00 45.32 C ATOM 604 O LEU A 40 -0.259 -11.594 -20.959 1.00 62.52 O ATOM 605 CB LEU A 40 1.694 -9.549 -19.494 1.00 72.12 C ATOM 606 CG LEU A 40 2.022 -8.591 -18.348 1.00 70.52 C ATOM 607 CD1 LEU A 40 2.183 -9.356 -17.043 1.00 41.24 C ATOM 608 CD2 LEU A 40 3.281 -7.796 -18.662 1.00 30.33 C ATOM 0 H LEU A 40 -0.935 -10.565 -18.838 1.00 72.12 H new ATOM 0 HA LEU A 40 0.177 -8.426 -20.523 1.00 1.54 H new ATOM 0 HB2 LEU A 40 1.822 -10.570 -19.135 1.00 72.12 H new ATOM 0 HB3 LEU A 40 2.424 -9.396 -20.289 1.00 72.12 H new ATOM 0 HG LEU A 40 1.194 -7.892 -18.235 1.00 70.52 H new ATOM 0 HD11 LEU A 40 2.416 -8.658 -16.239 1.00 41.24 H new ATOM 0 HD12 LEU A 40 1.256 -9.880 -16.812 1.00 41.24 H new ATOM 0 HD13 LEU A 40 2.993 -10.079 -17.142 1.00 41.24 H new ATOM 0 HD21 LEU A 40 3.500 -7.119 -17.836 1.00 30.33 H new ATOM 0 HD22 LEU A 40 4.118 -8.480 -18.802 1.00 30.33 H new ATOM 0 HD23 LEU A 40 3.129 -7.218 -19.574 1.00 30.33 H new ATOM 620 N THR A 41 0.374 -10.026 -22.444 1.00 13.25 N ATOM 621 CA THR A 41 0.240 -10.907 -23.597 1.00 13.23 C ATOM 622 C THR A 41 1.516 -11.708 -23.828 1.00 32.02 C ATOM 623 O THR A 41 2.613 -11.253 -23.504 1.00 11.00 O ATOM 624 CB THR A 41 -0.093 -10.113 -24.874 1.00 72.33 C ATOM 625 OG1 THR A 41 1.033 -9.320 -25.265 1.00 53.34 O ATOM 626 CG2 THR A 41 -1.301 -9.215 -24.654 1.00 71.22 C ATOM 0 H THR A 41 0.682 -9.080 -22.670 1.00 13.25 H new ATOM 0 HA THR A 41 -0.580 -11.591 -23.379 1.00 13.23 H new ATOM 0 HB THR A 41 -0.329 -10.824 -25.666 1.00 72.33 H new ATOM 0 HG1 THR A 41 0.814 -8.820 -26.079 1.00 53.34 H new ATOM 0 HG21 THR A 41 -1.517 -8.664 -25.570 1.00 71.22 H new ATOM 0 HG22 THR A 41 -2.164 -9.825 -24.385 1.00 71.22 H new ATOM 0 HG23 THR A 41 -1.089 -8.511 -23.849 1.00 71.22 H new ATOM 634 N ASP A 42 1.365 -12.902 -24.390 1.00 22.21 N ATOM 635 CA ASP A 42 2.507 -13.767 -24.666 1.00 52.42 C ATOM 636 C ASP A 42 3.511 -13.066 -25.577 1.00 33.42 C ATOM 637 O ASP A 42 4.705 -13.359 -25.540 1.00 23.23 O ATOM 638 CB ASP A 42 2.040 -15.073 -25.310 1.00 63.20 C ATOM 639 CG ASP A 42 1.973 -16.216 -24.316 1.00 74.25 C ATOM 640 OD1 ASP A 42 0.945 -16.333 -23.616 1.00 64.13 O ATOM 641 OD2 ASP A 42 2.947 -16.994 -24.238 1.00 42.54 O ATOM 0 H ASP A 42 0.464 -13.293 -24.663 1.00 22.21 H new ATOM 0 HA ASP A 42 2.998 -13.993 -23.720 1.00 52.42 H new ATOM 0 HB2 ASP A 42 1.056 -14.924 -25.755 1.00 63.20 H new ATOM 0 HB3 ASP A 42 2.719 -15.339 -26.120 1.00 63.20 H new ATOM 646 N GLU A 43 3.016 -12.141 -26.394 1.00 24.53 N ATOM 647 CA GLU A 43 3.871 -11.402 -27.315 1.00 52.40 C ATOM 648 C GLU A 43 4.801 -10.459 -26.557 1.00 12.14 C ATOM 649 O GLU A 43 5.950 -10.257 -26.948 1.00 31.53 O ATOM 650 CB GLU A 43 3.020 -10.607 -28.308 1.00 41.10 C ATOM 651 CG GLU A 43 3.569 -10.618 -29.725 1.00 32.11 C ATOM 652 CD GLU A 43 3.416 -9.279 -30.420 1.00 71.33 C ATOM 653 OE1 GLU A 43 2.267 -8.900 -30.729 1.00 13.54 O ATOM 654 OE2 GLU A 43 4.444 -8.612 -30.656 1.00 43.33 O ATOM 0 H GLU A 43 2.029 -11.886 -26.437 1.00 24.53 H new ATOM 0 HA GLU A 43 4.480 -12.122 -27.863 1.00 52.40 H new ATOM 0 HB2 GLU A 43 2.009 -11.015 -28.316 1.00 41.10 H new ATOM 0 HB3 GLU A 43 2.945 -9.575 -27.965 1.00 41.10 H new ATOM 0 HG2 GLU A 43 4.624 -10.892 -29.700 1.00 32.11 H new ATOM 0 HG3 GLU A 43 3.054 -11.385 -30.304 1.00 32.11 H new ATOM 661 N GLU A 44 4.294 -9.884 -25.470 1.00 72.14 N ATOM 662 CA GLU A 44 5.078 -8.962 -24.658 1.00 45.43 C ATOM 663 C GLU A 44 6.204 -9.696 -23.935 1.00 11.31 C ATOM 664 O GLU A 44 7.317 -9.184 -23.814 1.00 11.23 O ATOM 665 CB GLU A 44 4.181 -8.252 -23.642 1.00 24.43 C ATOM 666 CG GLU A 44 3.254 -7.222 -24.263 1.00 54.01 C ATOM 667 CD GLU A 44 3.774 -5.805 -24.117 1.00 71.21 C ATOM 668 OE1 GLU A 44 4.999 -5.639 -23.940 1.00 20.11 O ATOM 669 OE2 GLU A 44 2.957 -4.863 -24.180 1.00 31.13 O ATOM 0 H GLU A 44 3.344 -10.041 -25.132 1.00 72.14 H new ATOM 0 HA GLU A 44 5.520 -8.219 -25.322 1.00 45.43 H new ATOM 0 HB2 GLU A 44 3.583 -8.996 -23.116 1.00 24.43 H new ATOM 0 HB3 GLU A 44 4.808 -7.762 -22.897 1.00 24.43 H new ATOM 0 HG2 GLU A 44 3.121 -7.449 -25.321 1.00 54.01 H new ATOM 0 HG3 GLU A 44 2.272 -7.294 -23.796 1.00 54.01 H new ATOM 676 N VAL A 45 5.905 -10.899 -23.455 1.00 42.03 N ATOM 677 CA VAL A 45 6.891 -11.705 -22.744 1.00 54.32 C ATOM 678 C VAL A 45 7.987 -12.189 -23.686 1.00 43.00 C ATOM 679 O VAL A 45 9.162 -12.227 -23.320 1.00 42.50 O ATOM 680 CB VAL A 45 6.236 -12.923 -22.067 1.00 31.22 C ATOM 681 CG1 VAL A 45 7.278 -13.744 -21.322 1.00 74.11 C ATOM 682 CG2 VAL A 45 5.125 -12.477 -21.128 1.00 24.34 C ATOM 0 H VAL A 45 4.988 -11.337 -23.545 1.00 42.03 H new ATOM 0 HA VAL A 45 7.331 -11.066 -21.978 1.00 54.32 H new ATOM 0 HB VAL A 45 5.796 -13.554 -22.840 1.00 31.22 H new ATOM 0 HG11 VAL A 45 6.797 -14.601 -20.850 1.00 74.11 H new ATOM 0 HG12 VAL A 45 8.035 -14.094 -22.024 1.00 74.11 H new ATOM 0 HG13 VAL A 45 7.750 -13.126 -20.558 1.00 74.11 H new ATOM 0 HG21 VAL A 45 4.673 -13.351 -20.658 1.00 24.34 H new ATOM 0 HG22 VAL A 45 5.539 -11.825 -20.359 1.00 24.34 H new ATOM 0 HG23 VAL A 45 4.366 -11.936 -21.693 1.00 24.34 H new ATOM 692 N ASP A 46 7.596 -12.558 -24.901 1.00 31.35 N ATOM 693 CA ASP A 46 8.546 -13.039 -25.897 1.00 30.22 C ATOM 694 C ASP A 46 9.672 -12.031 -26.105 1.00 52.02 C ATOM 695 O ASP A 46 10.836 -12.406 -26.240 1.00 72.13 O ATOM 696 CB ASP A 46 7.834 -13.309 -27.223 1.00 50.34 C ATOM 697 CG ASP A 46 8.636 -14.214 -28.137 1.00 71.14 C ATOM 698 OD1 ASP A 46 9.087 -15.280 -27.669 1.00 71.11 O ATOM 699 OD2 ASP A 46 8.813 -13.856 -29.321 1.00 24.31 O ATOM 0 H ASP A 46 6.627 -12.533 -25.220 1.00 31.35 H new ATOM 0 HA ASP A 46 8.979 -13.970 -25.531 1.00 30.22 H new ATOM 0 HB2 ASP A 46 6.864 -13.765 -27.025 1.00 50.34 H new ATOM 0 HB3 ASP A 46 7.644 -12.363 -27.729 1.00 50.34 H new ATOM 704 N GLU A 47 9.315 -10.751 -26.131 1.00 44.50 N ATOM 705 CA GLU A 47 10.296 -9.689 -26.325 1.00 63.11 C ATOM 706 C GLU A 47 11.146 -9.498 -25.072 1.00 40.21 C ATOM 707 O GLU A 47 12.315 -9.120 -25.154 1.00 35.44 O ATOM 708 CB GLU A 47 9.596 -8.377 -26.685 1.00 43.01 C ATOM 709 CG GLU A 47 10.552 -7.271 -27.101 1.00 21.50 C ATOM 710 CD GLU A 47 10.227 -6.703 -28.468 1.00 55.44 C ATOM 711 OE1 GLU A 47 10.168 -7.486 -29.439 1.00 43.10 O ATOM 712 OE2 GLU A 47 10.030 -5.473 -28.567 1.00 73.22 O ATOM 0 H GLU A 47 8.355 -10.424 -26.020 1.00 44.50 H new ATOM 0 HA GLU A 47 10.951 -9.980 -27.146 1.00 63.11 H new ATOM 0 HB2 GLU A 47 8.892 -8.561 -27.496 1.00 43.01 H new ATOM 0 HB3 GLU A 47 9.013 -8.039 -25.828 1.00 43.01 H new ATOM 0 HG2 GLU A 47 10.519 -6.471 -26.362 1.00 21.50 H new ATOM 0 HG3 GLU A 47 11.571 -7.659 -27.106 1.00 21.50 H new ATOM 719 N MET A 48 10.549 -9.761 -23.914 1.00 5.41 N ATOM 720 CA MET A 48 11.251 -9.618 -22.644 1.00 23.14 C ATOM 721 C MET A 48 12.354 -10.664 -22.512 1.00 3.54 C ATOM 722 O MET A 48 13.435 -10.377 -21.996 1.00 42.21 O ATOM 723 CB MET A 48 10.270 -9.745 -21.477 1.00 73.51 C ATOM 724 CG MET A 48 10.014 -8.434 -20.752 1.00 23.21 C ATOM 725 SD MET A 48 9.980 -8.627 -18.959 1.00 74.15 S ATOM 726 CE MET A 48 11.721 -8.862 -18.610 1.00 74.04 C ATOM 0 H MET A 48 9.582 -10.074 -23.829 1.00 5.41 H new ATOM 0 HA MET A 48 11.707 -8.629 -22.619 1.00 23.14 H new ATOM 0 HB2 MET A 48 9.323 -10.135 -21.850 1.00 73.51 H new ATOM 0 HB3 MET A 48 10.657 -10.474 -20.766 1.00 73.51 H new ATOM 0 HG2 MET A 48 10.789 -7.717 -21.022 1.00 23.21 H new ATOM 0 HG3 MET A 48 9.064 -8.018 -21.087 1.00 23.21 H new ATOM 0 HE1 MET A 48 11.880 -8.854 -17.532 1.00 74.04 H new ATOM 0 HE2 MET A 48 12.048 -9.819 -19.018 1.00 74.04 H new ATOM 0 HE3 MET A 48 12.296 -8.057 -19.068 1.00 74.04 H new ATOM 736 N ILE A 49 12.074 -11.875 -22.980 1.00 22.02 N ATOM 737 CA ILE A 49 13.043 -12.962 -22.914 1.00 44.32 C ATOM 738 C ILE A 49 14.125 -12.799 -23.977 1.00 12.30 C ATOM 739 O ILE A 49 15.280 -13.165 -23.763 1.00 23.34 O ATOM 740 CB ILE A 49 12.365 -14.333 -23.094 1.00 41.32 C ATOM 741 CG1 ILE A 49 11.236 -14.505 -22.077 1.00 15.35 C ATOM 742 CG2 ILE A 49 13.387 -15.451 -22.954 1.00 75.41 C ATOM 743 CD1 ILE A 49 10.369 -15.717 -22.335 1.00 31.30 C ATOM 0 H ILE A 49 11.184 -12.129 -23.409 1.00 22.02 H new ATOM 0 HA ILE A 49 13.499 -12.919 -21.925 1.00 44.32 H new ATOM 0 HB ILE A 49 11.937 -14.382 -24.095 1.00 41.32 H new ATOM 0 HG12 ILE A 49 11.666 -14.582 -21.078 1.00 15.35 H new ATOM 0 HG13 ILE A 49 10.610 -13.612 -22.086 1.00 15.35 H new ATOM 0 HG21 ILE A 49 12.893 -16.414 -23.084 1.00 75.41 H new ATOM 0 HG22 ILE A 49 14.160 -15.335 -23.714 1.00 75.41 H new ATOM 0 HG23 ILE A 49 13.841 -15.407 -21.964 1.00 75.41 H new ATOM 0 HD11 ILE A 49 9.590 -15.775 -21.575 1.00 31.30 H new ATOM 0 HD12 ILE A 49 9.910 -15.633 -23.320 1.00 31.30 H new ATOM 0 HD13 ILE A 49 10.982 -16.618 -22.296 1.00 31.30 H new ATOM 755 N ARG A 50 13.742 -12.245 -25.123 1.00 10.22 N ATOM 756 CA ARG A 50 14.679 -12.032 -26.219 1.00 60.32 C ATOM 757 C ARG A 50 15.796 -11.080 -25.803 1.00 23.23 C ATOM 758 O ARG A 50 16.899 -11.126 -26.347 1.00 73.44 O ATOM 759 CB ARG A 50 13.948 -11.474 -27.442 1.00 23.21 C ATOM 760 CG ARG A 50 13.956 -12.413 -28.637 1.00 72.20 C ATOM 761 CD ARG A 50 13.187 -11.827 -29.811 1.00 2.11 C ATOM 762 NE ARG A 50 13.757 -10.560 -30.260 1.00 44.34 N ATOM 763 CZ ARG A 50 13.461 -9.992 -31.424 1.00 60.23 C ATOM 764 NH1 ARG A 50 12.605 -10.576 -32.251 1.00 60.14 N ATOM 765 NH2 ARG A 50 14.021 -8.838 -31.763 1.00 1.24 N ATOM 0 H ARG A 50 12.789 -11.936 -25.316 1.00 10.22 H new ATOM 0 HA ARG A 50 15.122 -12.994 -26.476 1.00 60.32 H new ATOM 0 HB2 ARG A 50 12.916 -11.255 -27.169 1.00 23.21 H new ATOM 0 HB3 ARG A 50 14.408 -10.529 -27.730 1.00 23.21 H new ATOM 0 HG2 ARG A 50 14.985 -12.612 -28.938 1.00 72.20 H new ATOM 0 HG3 ARG A 50 13.516 -13.369 -28.353 1.00 72.20 H new ATOM 0 HD2 ARG A 50 13.189 -12.538 -30.637 1.00 2.11 H new ATOM 0 HD3 ARG A 50 12.147 -11.675 -29.523 1.00 2.11 H new ATOM 0 HE ARG A 50 14.419 -10.085 -29.646 1.00 44.34 H new ATOM 0 HH11 ARG A 50 12.172 -11.463 -31.994 1.00 60.14 H new ATOM 0 HH12 ARG A 50 12.379 -10.138 -33.144 1.00 60.14 H new ATOM 0 HH21 ARG A 50 14.680 -8.385 -31.130 1.00 1.24 H new ATOM 0 HH22 ARG A 50 13.793 -8.403 -32.657 1.00 1.24 H new ATOM 779 N GLU A 51 15.502 -10.218 -24.834 1.00 62.32 N ATOM 780 CA GLU A 51 16.482 -9.255 -24.346 1.00 40.25 C ATOM 781 C GLU A 51 17.130 -9.744 -23.055 1.00 20.54 C ATOM 782 O GLU A 51 18.288 -9.437 -22.774 1.00 21.45 O ATOM 783 CB GLU A 51 15.821 -7.895 -24.115 1.00 11.55 C ATOM 784 CG GLU A 51 15.440 -7.176 -25.398 1.00 73.31 C ATOM 785 CD GLU A 51 14.443 -6.058 -25.167 1.00 14.54 C ATOM 786 OE1 GLU A 51 14.386 -5.539 -24.032 1.00 23.44 O ATOM 787 OE2 GLU A 51 13.719 -5.700 -26.119 1.00 71.43 O ATOM 0 H GLU A 51 14.594 -10.167 -24.372 1.00 62.32 H new ATOM 0 HA GLU A 51 17.259 -9.150 -25.104 1.00 40.25 H new ATOM 0 HB2 GLU A 51 14.927 -8.034 -23.507 1.00 11.55 H new ATOM 0 HB3 GLU A 51 16.500 -7.263 -23.543 1.00 11.55 H new ATOM 0 HG2 GLU A 51 16.338 -6.767 -25.861 1.00 73.31 H new ATOM 0 HG3 GLU A 51 15.018 -7.894 -26.101 1.00 73.31 H new ATOM 794 N ALA A 52 16.374 -10.507 -22.272 1.00 74.54 N ATOM 795 CA ALA A 52 16.874 -11.041 -21.011 1.00 74.04 C ATOM 796 C ALA A 52 17.990 -12.052 -21.248 1.00 25.15 C ATOM 797 O ALA A 52 18.966 -12.100 -20.498 1.00 32.22 O ATOM 798 CB ALA A 52 15.740 -11.679 -20.222 1.00 1.43 C ATOM 0 H ALA A 52 15.412 -10.769 -22.489 1.00 74.54 H new ATOM 0 HA ALA A 52 17.285 -10.214 -20.432 1.00 74.04 H new ATOM 0 HB1 ALA A 52 16.127 -12.074 -19.283 1.00 1.43 H new ATOM 0 HB2 ALA A 52 14.976 -10.930 -20.013 1.00 1.43 H new ATOM 0 HB3 ALA A 52 15.303 -12.491 -20.804 1.00 1.43 H new ATOM 804 N ASP A 53 17.841 -12.858 -22.293 1.00 30.33 N ATOM 805 CA ASP A 53 18.838 -13.869 -22.628 1.00 13.33 C ATOM 806 C ASP A 53 20.077 -13.226 -23.242 1.00 63.44 C ATOM 807 O ASP A 53 20.055 -12.058 -23.631 1.00 72.22 O ATOM 808 CB ASP A 53 18.248 -14.897 -23.595 1.00 10.35 C ATOM 809 CG ASP A 53 18.171 -14.377 -25.016 1.00 41.55 C ATOM 810 OD1 ASP A 53 18.060 -13.145 -25.192 1.00 63.42 O ATOM 811 OD2 ASP A 53 18.221 -15.201 -25.954 1.00 10.24 O ATOM 0 H ASP A 53 17.039 -12.831 -22.923 1.00 30.33 H new ATOM 0 HA ASP A 53 19.131 -14.375 -21.708 1.00 13.33 H new ATOM 0 HB2 ASP A 53 18.856 -15.801 -23.575 1.00 10.35 H new ATOM 0 HB3 ASP A 53 17.250 -15.176 -23.259 1.00 10.35 H new ATOM 816 N ILE A 54 21.157 -13.997 -23.326 1.00 12.40 N ATOM 817 CA ILE A 54 22.405 -13.502 -23.893 1.00 62.43 C ATOM 818 C ILE A 54 22.799 -14.299 -25.133 1.00 0.43 C ATOM 819 O ILE A 54 22.152 -15.287 -25.480 1.00 11.31 O ATOM 820 CB ILE A 54 23.554 -13.567 -22.869 1.00 75.10 C ATOM 821 CG1 ILE A 54 23.609 -14.951 -22.220 1.00 23.35 C ATOM 822 CG2 ILE A 54 23.382 -12.486 -21.812 1.00 31.51 C ATOM 823 CD1 ILE A 54 24.971 -15.303 -21.662 1.00 12.31 C ATOM 0 H ILE A 54 21.192 -14.966 -23.009 1.00 12.40 H new ATOM 0 HA ILE A 54 22.235 -12.462 -24.170 1.00 62.43 H new ATOM 0 HB ILE A 54 24.496 -13.393 -23.389 1.00 75.10 H new ATOM 0 HG12 ILE A 54 22.873 -14.996 -21.417 1.00 23.35 H new ATOM 0 HG13 ILE A 54 23.322 -15.701 -22.957 1.00 23.35 H new ATOM 0 HG21 ILE A 54 24.201 -12.544 -21.095 1.00 31.51 H new ATOM 0 HG22 ILE A 54 23.387 -11.506 -22.290 1.00 31.51 H new ATOM 0 HG23 ILE A 54 22.435 -12.632 -21.293 1.00 31.51 H new ATOM 0 HD11 ILE A 54 24.936 -16.298 -21.217 1.00 12.31 H new ATOM 0 HD12 ILE A 54 25.708 -15.290 -22.465 1.00 12.31 H new ATOM 0 HD13 ILE A 54 25.252 -14.575 -20.901 1.00 12.31 H new ATOM 835 N ASP A 55 23.865 -13.863 -25.795 1.00 11.30 N ATOM 836 CA ASP A 55 24.348 -14.536 -26.995 1.00 32.31 C ATOM 837 C ASP A 55 24.949 -15.896 -26.650 1.00 53.54 C ATOM 838 O ASP A 55 24.875 -16.347 -25.508 1.00 54.14 O ATOM 839 CB ASP A 55 25.388 -13.671 -27.708 1.00 10.22 C ATOM 840 CG ASP A 55 25.136 -13.573 -29.200 1.00 32.55 C ATOM 841 OD1 ASP A 55 24.951 -14.629 -29.840 1.00 32.43 O ATOM 842 OD2 ASP A 55 25.124 -12.441 -29.727 1.00 63.31 O ATOM 0 H ASP A 55 24.411 -13.046 -25.521 1.00 11.30 H new ATOM 0 HA ASP A 55 23.499 -14.692 -27.661 1.00 32.31 H new ATOM 0 HB2 ASP A 55 25.382 -12.671 -27.275 1.00 10.22 H new ATOM 0 HB3 ASP A 55 26.381 -14.087 -27.537 1.00 10.22 H new ATOM 847 N GLY A 56 25.543 -16.544 -27.647 1.00 63.14 N ATOM 848 CA GLY A 56 26.147 -17.846 -27.430 1.00 10.31 C ATOM 849 C GLY A 56 25.117 -18.953 -27.332 1.00 31.45 C ATOM 850 O GLY A 56 25.013 -19.795 -28.224 1.00 42.01 O ATOM 0 H GLY A 56 25.617 -16.191 -28.601 1.00 63.14 H new ATOM 0 HA2 GLY A 56 26.835 -18.065 -28.247 1.00 10.31 H new ATOM 0 HA3 GLY A 56 26.738 -17.821 -26.514 1.00 10.31 H new ATOM 854 N ASP A 57 24.355 -18.955 -26.244 1.00 34.14 N ATOM 855 CA ASP A 57 23.328 -19.968 -26.031 1.00 74.52 C ATOM 856 C ASP A 57 21.954 -19.325 -25.873 1.00 54.11 C ATOM 857 O ASP A 57 21.844 -18.143 -25.551 1.00 40.42 O ATOM 858 CB ASP A 57 23.657 -20.808 -24.796 1.00 12.55 C ATOM 859 CG ASP A 57 22.932 -22.139 -24.790 1.00 64.33 C ATOM 860 OD1 ASP A 57 21.791 -22.192 -24.287 1.00 34.14 O ATOM 861 OD2 ASP A 57 23.507 -23.129 -25.291 1.00 12.44 O ATOM 0 H ASP A 57 24.429 -18.266 -25.495 1.00 34.14 H new ATOM 0 HA ASP A 57 23.307 -20.617 -26.907 1.00 74.52 H new ATOM 0 HB2 ASP A 57 24.732 -20.983 -24.756 1.00 12.55 H new ATOM 0 HB3 ASP A 57 23.391 -20.249 -23.899 1.00 12.55 H new ATOM 866 N GLY A 58 20.907 -20.112 -26.103 1.00 52.10 N ATOM 867 CA GLY A 58 19.554 -19.601 -25.982 1.00 51.03 C ATOM 868 C GLY A 58 18.956 -19.861 -24.614 1.00 72.20 C ATOM 869 O GLY A 58 17.841 -20.371 -24.504 1.00 50.34 O ATOM 0 H GLY A 58 20.972 -21.094 -26.371 1.00 52.10 H new ATOM 0 HA2 GLY A 58 19.555 -18.529 -26.177 1.00 51.03 H new ATOM 0 HA3 GLY A 58 18.925 -20.062 -26.744 1.00 51.03 H new ATOM 873 N GLN A 59 19.699 -19.512 -23.569 1.00 20.21 N ATOM 874 CA GLN A 59 19.236 -19.714 -22.201 1.00 54.32 C ATOM 875 C GLN A 59 19.364 -18.430 -21.388 1.00 52.32 C ATOM 876 O GLN A 59 20.229 -17.596 -21.657 1.00 20.30 O ATOM 877 CB GLN A 59 20.029 -20.837 -21.532 1.00 4.25 C ATOM 878 CG GLN A 59 19.257 -22.141 -21.412 1.00 52.54 C ATOM 879 CD GLN A 59 20.011 -23.196 -20.628 1.00 72.21 C ATOM 880 OE1 GLN A 59 21.066 -22.924 -20.055 1.00 21.52 O ATOM 881 NE2 GLN A 59 19.472 -24.410 -20.598 1.00 40.54 N ATOM 0 H GLN A 59 20.624 -19.088 -23.643 1.00 20.21 H new ATOM 0 HA GLN A 59 18.184 -19.995 -22.238 1.00 54.32 H new ATOM 0 HB2 GLN A 59 20.941 -21.016 -22.102 1.00 4.25 H new ATOM 0 HB3 GLN A 59 20.334 -20.512 -20.537 1.00 4.25 H new ATOM 0 HG2 GLN A 59 18.300 -21.949 -20.927 1.00 52.54 H new ATOM 0 HG3 GLN A 59 19.038 -22.522 -22.409 1.00 52.54 H new ATOM 0 HE21 GLN A 59 18.596 -24.591 -21.087 1.00 40.54 H new ATOM 0 HE22 GLN A 59 19.935 -25.161 -20.086 1.00 40.54 H new ATOM 890 N VAL A 60 18.496 -18.276 -20.393 1.00 23.33 N ATOM 891 CA VAL A 60 18.513 -17.094 -19.540 1.00 11.03 C ATOM 892 C VAL A 60 19.318 -17.344 -18.270 1.00 5.13 C ATOM 893 O VAL A 60 19.374 -18.466 -17.769 1.00 24.11 O ATOM 894 CB VAL A 60 17.086 -16.661 -19.153 1.00 23.03 C ATOM 895 CG1 VAL A 60 17.112 -15.323 -18.430 1.00 32.14 C ATOM 896 CG2 VAL A 60 16.198 -16.593 -20.386 1.00 32.14 C ATOM 0 H VAL A 60 17.772 -18.955 -20.158 1.00 23.33 H new ATOM 0 HA VAL A 60 18.984 -16.296 -20.114 1.00 11.03 H new ATOM 0 HB VAL A 60 16.670 -17.405 -18.474 1.00 23.03 H new ATOM 0 HG11 VAL A 60 16.095 -15.033 -18.164 1.00 32.14 H new ATOM 0 HG12 VAL A 60 17.713 -15.410 -17.525 1.00 32.14 H new ATOM 0 HG13 VAL A 60 17.547 -14.565 -19.082 1.00 32.14 H new ATOM 0 HG21 VAL A 60 15.194 -16.286 -20.095 1.00 32.14 H new ATOM 0 HG22 VAL A 60 16.609 -15.870 -21.091 1.00 32.14 H new ATOM 0 HG23 VAL A 60 16.154 -17.575 -20.858 1.00 32.14 H new ATOM 906 N ASN A 61 19.941 -16.289 -17.753 1.00 70.23 N ATOM 907 CA ASN A 61 20.744 -16.394 -16.541 1.00 23.04 C ATOM 908 C ASN A 61 19.949 -15.941 -15.320 1.00 51.52 C ATOM 909 O ASN A 61 19.162 -14.997 -15.395 1.00 14.21 O ATOM 910 CB ASN A 61 22.018 -15.556 -16.673 1.00 73.24 C ATOM 911 CG ASN A 61 22.891 -15.631 -15.436 1.00 13.03 C ATOM 912 OD1 ASN A 61 22.860 -16.617 -14.700 1.00 23.43 O ATOM 913 ND2 ASN A 61 23.674 -14.585 -15.201 1.00 25.13 N ATOM 0 H ASN A 61 19.905 -15.352 -18.155 1.00 70.23 H new ATOM 0 HA ASN A 61 21.018 -17.441 -16.407 1.00 23.04 H new ATOM 0 HB2 ASN A 61 22.587 -15.899 -17.537 1.00 73.24 H new ATOM 0 HB3 ASN A 61 21.748 -14.517 -16.861 1.00 73.24 H new ATOM 0 HD21 ASN A 61 24.283 -14.577 -14.383 1.00 25.13 H new ATOM 0 HD22 ASN A 61 23.667 -13.789 -15.839 1.00 25.13 H new ATOM 920 N TYR A 62 20.160 -16.619 -14.198 1.00 5.42 N ATOM 921 CA TYR A 62 19.462 -16.287 -12.961 1.00 63.14 C ATOM 922 C TYR A 62 19.716 -14.836 -12.565 1.00 10.02 C ATOM 923 O TYR A 62 18.783 -14.092 -12.264 1.00 43.20 O ATOM 924 CB TYR A 62 19.907 -17.221 -11.834 1.00 55.32 C ATOM 925 CG TYR A 62 19.515 -16.736 -10.457 1.00 1.34 C ATOM 926 CD1 TYR A 62 18.191 -16.768 -10.037 1.00 21.50 C ATOM 927 CD2 TYR A 62 20.470 -16.246 -9.574 1.00 50.51 C ATOM 928 CE1 TYR A 62 17.829 -16.326 -8.780 1.00 1.44 C ATOM 929 CE2 TYR A 62 20.117 -15.802 -8.314 1.00 43.12 C ATOM 930 CZ TYR A 62 18.796 -15.844 -7.922 1.00 13.52 C ATOM 931 OH TYR A 62 18.439 -15.403 -6.668 1.00 3.21 O ATOM 0 H TYR A 62 20.809 -17.402 -14.119 1.00 5.42 H new ATOM 0 HA TYR A 62 18.393 -16.416 -13.130 1.00 63.14 H new ATOM 0 HB2 TYR A 62 19.475 -18.208 -11.999 1.00 55.32 H new ATOM 0 HB3 TYR A 62 20.990 -17.336 -11.875 1.00 55.32 H new ATOM 0 HD1 TYR A 62 17.431 -17.145 -10.706 1.00 21.50 H new ATOM 0 HD2 TYR A 62 21.506 -16.212 -9.878 1.00 50.51 H new ATOM 0 HE1 TYR A 62 16.795 -16.357 -8.470 1.00 1.44 H new ATOM 0 HE2 TYR A 62 20.872 -15.424 -7.640 1.00 43.12 H new ATOM 0 HH TYR A 62 19.237 -15.097 -6.189 1.00 3.21 H new ATOM 941 N GLU A 63 20.986 -14.442 -12.568 1.00 14.24 N ATOM 942 CA GLU A 63 21.363 -13.080 -12.208 1.00 53.10 C ATOM 943 C GLU A 63 20.544 -12.062 -12.997 1.00 62.34 C ATOM 944 O GLU A 63 19.937 -11.158 -12.423 1.00 63.10 O ATOM 945 CB GLU A 63 22.855 -12.857 -12.461 1.00 2.32 C ATOM 946 CG GLU A 63 23.654 -12.593 -11.195 1.00 62.45 C ATOM 947 CD GLU A 63 24.051 -11.137 -11.048 1.00 70.34 C ATOM 948 OE1 GLU A 63 24.612 -10.576 -12.013 1.00 14.42 O ATOM 949 OE2 GLU A 63 23.801 -10.560 -9.970 1.00 5.21 O ATOM 0 H GLU A 63 21.770 -15.046 -12.815 1.00 14.24 H new ATOM 0 HA GLU A 63 21.157 -12.942 -11.147 1.00 53.10 H new ATOM 0 HB2 GLU A 63 23.265 -13.733 -12.963 1.00 2.32 H new ATOM 0 HB3 GLU A 63 22.978 -12.014 -13.141 1.00 2.32 H new ATOM 0 HG2 GLU A 63 23.065 -12.894 -10.329 1.00 62.45 H new ATOM 0 HG3 GLU A 63 24.552 -13.212 -11.201 1.00 62.45 H new ATOM 956 N ASP A 64 20.533 -12.216 -14.317 1.00 23.42 N ATOM 957 CA ASP A 64 19.790 -11.312 -15.186 1.00 74.11 C ATOM 958 C ASP A 64 18.343 -11.179 -14.721 1.00 52.32 C ATOM 959 O ASP A 64 17.881 -10.083 -14.400 1.00 64.31 O ATOM 960 CB ASP A 64 19.830 -11.811 -16.631 1.00 60.32 C ATOM 961 CG ASP A 64 21.246 -12.006 -17.137 1.00 71.11 C ATOM 962 OD1 ASP A 64 22.189 -11.563 -16.448 1.00 53.21 O ATOM 963 OD2 ASP A 64 21.411 -12.603 -18.221 1.00 42.44 O ATOM 0 H ASP A 64 21.031 -12.959 -14.808 1.00 23.42 H new ATOM 0 HA ASP A 64 20.261 -10.330 -15.136 1.00 74.11 H new ATOM 0 HB2 ASP A 64 19.289 -12.755 -16.702 1.00 60.32 H new ATOM 0 HB3 ASP A 64 19.313 -11.098 -17.273 1.00 60.32 H new ATOM 968 N PHE A 65 17.631 -12.301 -14.689 1.00 3.43 N ATOM 969 CA PHE A 65 16.236 -12.309 -14.265 1.00 51.02 C ATOM 970 C PHE A 65 16.073 -11.616 -12.916 1.00 10.24 C ATOM 971 O PHE A 65 15.056 -10.974 -12.654 1.00 11.44 O ATOM 972 CB PHE A 65 15.715 -13.745 -14.180 1.00 25.34 C ATOM 973 CG PHE A 65 14.270 -13.883 -14.563 1.00 52.13 C ATOM 974 CD1 PHE A 65 13.895 -13.932 -15.896 1.00 72.22 C ATOM 975 CD2 PHE A 65 13.286 -13.962 -13.591 1.00 31.30 C ATOM 976 CE1 PHE A 65 12.565 -14.059 -16.253 1.00 24.22 C ATOM 977 CE2 PHE A 65 11.955 -14.090 -13.942 1.00 1.35 C ATOM 978 CZ PHE A 65 11.594 -14.137 -15.274 1.00 3.00 C ATOM 0 H PHE A 65 17.997 -13.216 -14.952 1.00 3.43 H new ATOM 0 HA PHE A 65 15.654 -11.762 -15.007 1.00 51.02 H new ATOM 0 HB2 PHE A 65 16.317 -14.380 -14.830 1.00 25.34 H new ATOM 0 HB3 PHE A 65 15.849 -14.112 -13.162 1.00 25.34 H new ATOM 0 HD1 PHE A 65 14.650 -13.870 -16.665 1.00 72.22 H new ATOM 0 HD2 PHE A 65 13.562 -13.923 -12.548 1.00 31.30 H new ATOM 0 HE1 PHE A 65 12.286 -14.097 -17.296 1.00 24.22 H new ATOM 0 HE2 PHE A 65 11.198 -14.153 -13.175 1.00 1.35 H new ATOM 0 HZ PHE A 65 10.554 -14.235 -15.550 1.00 3.00 H new ATOM 988 N VAL A 66 17.083 -11.751 -12.062 1.00 32.22 N ATOM 989 CA VAL A 66 17.053 -11.138 -10.739 1.00 60.22 C ATOM 990 C VAL A 66 17.277 -9.633 -10.826 1.00 54.31 C ATOM 991 O VAL A 66 16.718 -8.867 -10.041 1.00 40.34 O ATOM 992 CB VAL A 66 18.119 -11.752 -9.812 1.00 41.31 C ATOM 993 CG1 VAL A 66 18.121 -11.050 -8.462 1.00 73.34 C ATOM 994 CG2 VAL A 66 17.884 -13.245 -9.646 1.00 31.43 C ATOM 0 H VAL A 66 17.932 -12.279 -12.263 1.00 32.22 H new ATOM 0 HA VAL A 66 16.065 -11.332 -10.322 1.00 60.22 H new ATOM 0 HB VAL A 66 19.098 -11.611 -10.269 1.00 41.31 H new ATOM 0 HG11 VAL A 66 18.880 -11.497 -7.820 1.00 73.34 H new ATOM 0 HG12 VAL A 66 18.342 -9.992 -8.602 1.00 73.34 H new ATOM 0 HG13 VAL A 66 17.142 -11.157 -7.995 1.00 73.34 H new ATOM 0 HG21 VAL A 66 18.646 -13.662 -8.988 1.00 31.43 H new ATOM 0 HG22 VAL A 66 16.898 -13.412 -9.211 1.00 31.43 H new ATOM 0 HG23 VAL A 66 17.939 -13.732 -10.619 1.00 31.43 H new ATOM 1004 N GLN A 67 18.096 -9.216 -11.786 1.00 25.13 N ATOM 1005 CA GLN A 67 18.394 -7.801 -11.975 1.00 32.22 C ATOM 1006 C GLN A 67 17.136 -7.027 -12.354 1.00 41.43 C ATOM 1007 O GLN A 67 16.872 -5.952 -11.817 1.00 11.51 O ATOM 1008 CB GLN A 67 19.462 -7.623 -13.055 1.00 3.12 C ATOM 1009 CG GLN A 67 20.347 -6.405 -12.841 1.00 34.14 C ATOM 1010 CD GLN A 67 21.444 -6.291 -13.880 1.00 2.21 C ATOM 1011 OE1 GLN A 67 22.625 -6.197 -13.544 1.00 43.45 O ATOM 1012 NE2 GLN A 67 21.060 -6.299 -15.151 1.00 14.31 N ATOM 0 H GLN A 67 18.565 -9.838 -12.445 1.00 25.13 H new ATOM 0 HA GLN A 67 18.772 -7.405 -11.032 1.00 32.22 H new ATOM 0 HB2 GLN A 67 20.087 -8.515 -13.086 1.00 3.12 H new ATOM 0 HB3 GLN A 67 18.974 -7.541 -14.026 1.00 3.12 H new ATOM 0 HG2 GLN A 67 19.732 -5.505 -12.867 1.00 34.14 H new ATOM 0 HG3 GLN A 67 20.795 -6.456 -11.849 1.00 34.14 H new ATOM 0 HE21 GLN A 67 20.070 -6.379 -15.384 1.00 14.31 H new ATOM 0 HE22 GLN A 67 21.755 -6.225 -15.894 1.00 14.31 H new ATOM 1021 N MET A 68 16.364 -7.580 -13.284 1.00 21.23 N ATOM 1022 CA MET A 68 15.133 -6.941 -13.734 1.00 42.23 C ATOM 1023 C MET A 68 14.101 -6.896 -12.612 1.00 24.13 C ATOM 1024 O MET A 68 13.407 -5.896 -12.435 1.00 14.04 O ATOM 1025 CB MET A 68 14.559 -7.685 -14.941 1.00 70.13 C ATOM 1026 CG MET A 68 14.564 -6.864 -16.220 1.00 51.24 C ATOM 1027 SD MET A 68 13.097 -5.829 -16.387 1.00 12.10 S ATOM 1028 CE MET A 68 13.844 -4.222 -16.646 1.00 12.20 C ATOM 0 H MET A 68 16.569 -8.469 -13.740 1.00 21.23 H new ATOM 0 HA MET A 68 15.370 -5.918 -14.026 1.00 42.23 H new ATOM 0 HB2 MET A 68 15.134 -8.597 -15.102 1.00 70.13 H new ATOM 0 HB3 MET A 68 13.536 -7.988 -14.718 1.00 70.13 H new ATOM 0 HG2 MET A 68 15.453 -6.233 -16.239 1.00 51.24 H new ATOM 0 HG3 MET A 68 14.631 -7.534 -17.077 1.00 51.24 H new ATOM 0 HE1 MET A 68 13.062 -3.472 -16.767 1.00 12.20 H new ATOM 0 HE2 MET A 68 14.463 -3.965 -15.786 1.00 12.20 H new ATOM 0 HE3 MET A 68 14.463 -4.249 -17.543 1.00 12.20 H new ATOM 1038 N MET A 69 14.007 -7.986 -11.857 1.00 1.11 N ATOM 1039 CA MET A 69 13.060 -8.069 -10.751 1.00 62.40 C ATOM 1040 C MET A 69 13.248 -6.904 -9.785 1.00 41.22 C ATOM 1041 O MET A 69 12.286 -6.413 -9.192 1.00 64.44 O ATOM 1042 CB MET A 69 13.228 -9.396 -10.007 1.00 10.41 C ATOM 1043 CG MET A 69 12.089 -10.374 -10.244 1.00 50.12 C ATOM 1044 SD MET A 69 11.991 -10.923 -11.959 1.00 13.12 S ATOM 1045 CE MET A 69 10.663 -9.888 -12.570 1.00 51.12 C ATOM 0 H MET A 69 14.574 -8.823 -11.991 1.00 1.11 H new ATOM 0 HA MET A 69 12.052 -8.016 -11.163 1.00 62.40 H new ATOM 0 HB2 MET A 69 14.165 -9.860 -10.316 1.00 10.41 H new ATOM 0 HB3 MET A 69 13.308 -9.196 -8.938 1.00 10.41 H new ATOM 0 HG2 MET A 69 12.219 -11.241 -9.596 1.00 50.12 H new ATOM 0 HG3 MET A 69 11.147 -9.904 -9.963 1.00 50.12 H new ATOM 0 HE1 MET A 69 10.085 -10.438 -13.313 1.00 51.12 H new ATOM 0 HE2 MET A 69 10.013 -9.604 -11.742 1.00 51.12 H new ATOM 0 HE3 MET A 69 11.081 -8.991 -13.027 1.00 51.12 H new ATOM 1055 N THR A 70 14.493 -6.464 -9.631 1.00 1.34 N ATOM 1056 CA THR A 70 14.807 -5.357 -8.736 1.00 30.02 C ATOM 1057 C THR A 70 14.598 -4.015 -9.427 1.00 55.41 C ATOM 1058 O THR A 70 14.253 -3.022 -8.786 1.00 24.54 O ATOM 1059 CB THR A 70 16.259 -5.439 -8.228 1.00 61.24 C ATOM 1060 OG1 THR A 70 16.547 -6.768 -7.780 1.00 34.25 O ATOM 1061 CG2 THR A 70 16.492 -4.454 -7.093 1.00 44.55 C ATOM 0 H THR A 70 15.300 -6.857 -10.115 1.00 1.34 H new ATOM 0 HA THR A 70 14.128 -5.435 -7.887 1.00 30.02 H new ATOM 0 HB THR A 70 16.924 -5.182 -9.053 1.00 61.24 H new ATOM 0 HG1 THR A 70 16.615 -7.366 -8.553 1.00 34.25 H new ATOM 0 HG21 THR A 70 17.524 -4.530 -6.751 1.00 44.55 H new ATOM 0 HG22 THR A 70 16.301 -3.441 -7.446 1.00 44.55 H new ATOM 0 HG23 THR A 70 15.818 -4.684 -6.268 1.00 44.55 H new ATOM 1069 N ALA A 71 14.807 -3.991 -10.739 1.00 73.13 N ATOM 1070 CA ALA A 71 14.638 -2.771 -11.518 1.00 52.50 C ATOM 1071 C ALA A 71 13.191 -2.289 -11.477 1.00 65.03 C ATOM 1072 O ALA A 71 12.912 -1.163 -11.065 1.00 22.11 O ATOM 1073 CB ALA A 71 15.081 -2.996 -12.956 1.00 73.40 C ATOM 0 H ALA A 71 15.094 -4.803 -11.285 1.00 73.13 H new ATOM 0 HA ALA A 71 15.264 -1.997 -11.074 1.00 52.50 H new ATOM 0 HB1 ALA A 71 14.949 -2.076 -13.526 1.00 73.40 H new ATOM 0 HB2 ALA A 71 16.132 -3.285 -12.972 1.00 73.40 H new ATOM 0 HB3 ALA A 71 14.480 -3.788 -13.402 1.00 73.40 H new ATOM 1079 N LYS A 72 12.274 -3.148 -11.908 1.00 64.44 N ATOM 1080 CA LYS A 72 10.856 -2.812 -11.921 1.00 52.11 C ATOM 1081 C LYS A 72 10.283 -2.817 -10.508 1.00 12.45 C ATOM 1082 O LYS A 72 9.267 -2.166 -10.268 1.00 51.30 O ATOM 1083 CB LYS A 72 10.084 -3.800 -12.799 1.00 0.30 C ATOM 1084 CG LYS A 72 8.633 -3.411 -13.021 1.00 52.44 C ATOM 1085 CD LYS A 72 7.685 -4.498 -12.545 1.00 74.21 C ATOM 1086 CE LYS A 72 6.270 -3.967 -12.370 1.00 60.13 C ATOM 1087 NZ LYS A 72 5.432 -4.881 -11.545 1.00 63.15 N ATOM 0 H LYS A 72 12.488 -4.084 -12.253 1.00 64.44 H new ATOM 0 HA LYS A 72 10.750 -1.809 -12.334 1.00 52.11 H new ATOM 0 HB2 LYS A 72 10.582 -3.880 -13.765 1.00 0.30 H new ATOM 0 HB3 LYS A 72 10.120 -4.787 -12.339 1.00 0.30 H new ATOM 0 HG2 LYS A 72 8.419 -2.483 -12.491 1.00 52.44 H new ATOM 0 HG3 LYS A 72 8.465 -3.219 -14.081 1.00 52.44 H new ATOM 0 HD2 LYS A 72 7.681 -5.318 -13.263 1.00 74.21 H new ATOM 0 HD3 LYS A 72 8.042 -4.904 -11.599 1.00 74.21 H new ATOM 0 HE2 LYS A 72 6.307 -2.984 -11.900 1.00 60.13 H new ATOM 0 HE3 LYS A 72 5.808 -3.835 -13.348 1.00 60.13 H new ATOM 0 HZ1 LYS A 72 4.476 -4.484 -11.449 1.00 63.15 H new ATOM 0 HZ2 LYS A 72 5.376 -5.811 -12.006 1.00 63.15 H new ATOM 0 HZ3 LYS A 72 5.859 -4.987 -10.602 1.00 63.15 H new TER 1101 LYS A 72