USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1035 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 MET CE :methyl 144:sc= -0.932 (180deg=-1.31) USER MOD Set 2.1: A 16 SER OG : rot -157:sc= 0.977 USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0.699 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.191 (180deg=-0.777) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.125) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 23 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.073) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.44 F(o=-2!,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= 0.139 X(o=0.14,f=-0.057) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 32 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.2) USER MOD Single : A 34 THR OG1 : rot -6:sc= 0.226 USER MOD Single : A 40 ASN : amide:sc= 0.232 K(o=0.23,f=-1.2) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.217 F(o=-1.6,f=-0.22) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.25 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0135) USER MOD Single : A 55 ASN : amide:sc= 1.09 K(o=1.1,f=-7.5!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 63 ASN : amide:sc= -0.0136 K(o=-0.014,f=-0.77) USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= -0.0421 (180deg=-0.523) USER MOD Single : A 69 THR OG1 : rot -85:sc= 1.12 USER MOD Single : A 72 SER OG : rot -130:sc= 0.436 USER MOD Single : A 77 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.72) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -142:sc= 1.27 (180deg=0.839) USER MOD Single : A 112 HIS : no HE2:sc= 0.496 K(o=0.5,f=-2.5!) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.246 -12.075 23.423 1.00 42.11 N ATOM 2 CA MET A 1 7.068 -10.844 23.358 1.00 45.24 C ATOM 3 C MET A 1 6.931 -10.191 21.990 1.00 2.31 C ATOM 4 O MET A 1 6.408 -9.082 21.873 1.00 43.22 O ATOM 5 CB MET A 1 8.539 -11.165 23.632 1.00 71.21 C ATOM 6 CG MET A 1 8.798 -11.692 25.027 1.00 71.03 C ATOM 7 SD MET A 1 10.541 -12.038 25.319 1.00 10.15 S ATOM 8 CE MET A 1 10.856 -13.289 24.073 1.00 54.35 C ATOM 0 H1 MET A 1 6.211 -12.418 24.404 1.00 42.11 H new ATOM 0 H2 MET A 1 5.281 -11.866 23.095 1.00 42.11 H new ATOM 0 H3 MET A 1 6.667 -12.806 22.815 1.00 42.11 H new ATOM 0 HA MET A 1 6.711 -10.153 24.122 1.00 45.24 H new ATOM 0 HB2 MET A 1 8.882 -11.902 22.906 1.00 71.21 H new ATOM 0 HB3 MET A 1 9.133 -10.264 23.478 1.00 71.21 H new ATOM 0 HG2 MET A 1 8.448 -10.964 25.758 1.00 71.03 H new ATOM 0 HG3 MET A 1 8.219 -12.602 25.182 1.00 71.03 H new ATOM 0 HE1 MET A 1 11.740 -13.863 24.349 1.00 54.35 H new ATOM 0 HE2 MET A 1 9.997 -13.957 24.003 1.00 54.35 H new ATOM 0 HE3 MET A 1 11.022 -12.808 23.109 1.00 54.35 H new ATOM 20 N VAL A 2 7.394 -10.885 20.955 1.00 53.31 N ATOM 21 CA VAL A 2 7.306 -10.366 19.598 1.00 5.30 C ATOM 22 C VAL A 2 5.879 -10.484 19.078 1.00 42.01 C ATOM 23 O VAL A 2 5.161 -11.433 19.410 1.00 72.32 O ATOM 24 CB VAL A 2 8.280 -11.082 18.635 1.00 31.32 C ATOM 25 CG1 VAL A 2 9.720 -10.847 19.068 1.00 11.33 C ATOM 26 CG2 VAL A 2 7.977 -12.575 18.552 1.00 44.33 C ATOM 0 H VAL A 2 7.831 -11.803 21.031 1.00 53.31 H new ATOM 0 HA VAL A 2 7.594 -9.315 19.636 1.00 5.30 H new ATOM 0 HB VAL A 2 8.143 -10.661 17.639 1.00 31.32 H new ATOM 0 HG11 VAL A 2 10.395 -11.357 18.380 1.00 11.33 H new ATOM 0 HG12 VAL A 2 9.933 -9.778 19.059 1.00 11.33 H new ATOM 0 HG13 VAL A 2 9.865 -11.237 20.075 1.00 11.33 H new ATOM 0 HG21 VAL A 2 8.679 -13.051 17.867 1.00 44.33 H new ATOM 0 HG22 VAL A 2 8.076 -13.022 19.541 1.00 44.33 H new ATOM 0 HG23 VAL A 2 6.960 -12.720 18.188 1.00 44.33 H new ATOM 36 N LYS A 3 5.466 -9.522 18.271 1.00 72.53 N ATOM 37 CA LYS A 3 4.087 -9.451 17.819 1.00 54.40 C ATOM 38 C LYS A 3 4.010 -8.752 16.466 1.00 62.43 C ATOM 39 O LYS A 3 4.907 -7.993 16.099 1.00 11.11 O ATOM 40 CB LYS A 3 3.263 -8.695 18.867 1.00 55.01 C ATOM 41 CG LYS A 3 1.758 -8.763 18.669 1.00 12.52 C ATOM 42 CD LYS A 3 1.027 -8.128 19.845 1.00 22.22 C ATOM 43 CE LYS A 3 1.304 -8.883 21.139 1.00 3.53 C ATOM 44 NZ LYS A 3 0.644 -8.255 22.314 1.00 25.11 N ATOM 0 H LYS A 3 6.067 -8.778 17.915 1.00 72.53 H new ATOM 0 HA LYS A 3 3.685 -10.457 17.699 1.00 54.40 H new ATOM 0 HB2 LYS A 3 3.503 -9.093 19.853 1.00 55.01 H new ATOM 0 HB3 LYS A 3 3.568 -7.649 18.862 1.00 55.01 H new ATOM 0 HG2 LYS A 3 1.485 -8.251 17.746 1.00 12.52 H new ATOM 0 HG3 LYS A 3 1.448 -9.802 18.561 1.00 12.52 H new ATOM 0 HD2 LYS A 3 1.340 -7.089 19.953 1.00 22.22 H new ATOM 0 HD3 LYS A 3 -0.045 -8.119 19.648 1.00 22.22 H new ATOM 0 HE2 LYS A 3 0.957 -9.911 21.038 1.00 3.53 H new ATOM 0 HE3 LYS A 3 2.380 -8.924 21.309 1.00 3.53 H new ATOM 0 HZ1 LYS A 3 0.862 -8.805 23.170 1.00 25.11 H new ATOM 0 HZ2 LYS A 3 0.993 -7.282 22.429 1.00 25.11 H new ATOM 0 HZ3 LYS A 3 -0.385 -8.238 22.166 1.00 25.11 H new ATOM 58 N LEU A 4 2.948 -9.023 15.719 1.00 71.21 N ATOM 59 CA LEU A 4 2.739 -8.375 14.431 1.00 45.32 C ATOM 60 C LEU A 4 2.347 -6.914 14.637 1.00 62.23 C ATOM 61 O LEU A 4 2.528 -6.078 13.754 1.00 23.33 O ATOM 62 CB LEU A 4 1.661 -9.104 13.616 1.00 70.52 C ATOM 63 CG LEU A 4 2.079 -10.436 12.981 1.00 5.24 C ATOM 64 CD1 LEU A 4 3.331 -10.258 12.141 1.00 2.32 C ATOM 65 CD2 LEU A 4 2.292 -11.508 14.038 1.00 64.54 C ATOM 0 H LEU A 4 2.219 -9.686 15.982 1.00 71.21 H new ATOM 0 HA LEU A 4 3.673 -8.418 13.871 1.00 45.32 H new ATOM 0 HB2 LEU A 4 0.805 -9.288 14.266 1.00 70.52 H new ATOM 0 HB3 LEU A 4 1.322 -8.438 12.823 1.00 70.52 H new ATOM 0 HG LEU A 4 1.269 -10.765 12.330 1.00 5.24 H new ATOM 0 HD11 LEU A 4 3.612 -11.214 11.699 1.00 2.32 H new ATOM 0 HD12 LEU A 4 3.138 -9.535 11.349 1.00 2.32 H new ATOM 0 HD13 LEU A 4 4.144 -9.897 12.771 1.00 2.32 H new ATOM 0 HD21 LEU A 4 2.587 -12.440 13.556 1.00 64.54 H new ATOM 0 HD22 LEU A 4 3.076 -11.190 14.726 1.00 64.54 H new ATOM 0 HD23 LEU A 4 1.365 -11.663 14.591 1.00 64.54 H new ATOM 77 N ALA A 5 1.804 -6.621 15.809 1.00 13.42 N ATOM 78 CA ALA A 5 1.499 -5.253 16.190 1.00 14.35 C ATOM 79 C ALA A 5 2.599 -4.728 17.101 1.00 1.30 C ATOM 80 O ALA A 5 2.862 -5.301 18.159 1.00 13.24 O ATOM 81 CB ALA A 5 0.147 -5.185 16.882 1.00 31.53 C ATOM 0 H ALA A 5 1.565 -7.317 16.515 1.00 13.42 H new ATOM 0 HA ALA A 5 1.450 -4.630 15.297 1.00 14.35 H new ATOM 0 HB1 ALA A 5 -0.067 -4.153 17.161 1.00 31.53 H new ATOM 0 HB2 ALA A 5 -0.627 -5.546 16.205 1.00 31.53 H new ATOM 0 HB3 ALA A 5 0.165 -5.807 17.777 1.00 31.53 H new ATOM 87 N PHE A 6 3.252 -3.657 16.680 1.00 45.41 N ATOM 88 CA PHE A 6 4.378 -3.114 17.420 1.00 20.51 C ATOM 89 C PHE A 6 3.901 -2.369 18.664 1.00 72.45 C ATOM 90 O PHE A 6 2.994 -1.543 18.590 1.00 33.33 O ATOM 91 CB PHE A 6 5.198 -2.179 16.527 1.00 63.21 C ATOM 92 CG PHE A 6 5.727 -2.843 15.286 1.00 2.31 C ATOM 93 CD1 PHE A 6 6.891 -3.594 15.326 1.00 10.22 C ATOM 94 CD2 PHE A 6 5.059 -2.712 14.078 1.00 73.21 C ATOM 95 CE1 PHE A 6 7.376 -4.204 14.185 1.00 11.54 C ATOM 96 CE2 PHE A 6 5.539 -3.320 12.934 1.00 31.03 C ATOM 97 CZ PHE A 6 6.700 -4.065 12.988 1.00 71.53 C ATOM 0 H PHE A 6 3.021 -3.146 15.828 1.00 45.41 H new ATOM 0 HA PHE A 6 5.010 -3.944 17.738 1.00 20.51 H new ATOM 0 HB2 PHE A 6 4.579 -1.330 16.239 1.00 63.21 H new ATOM 0 HB3 PHE A 6 6.035 -1.783 17.102 1.00 63.21 H new ATOM 0 HD1 PHE A 6 7.425 -3.704 16.259 1.00 10.22 H new ATOM 0 HD2 PHE A 6 4.152 -2.127 14.031 1.00 73.21 H new ATOM 0 HE1 PHE A 6 8.283 -4.789 14.229 1.00 11.54 H new ATOM 0 HE2 PHE A 6 5.007 -3.213 12.000 1.00 31.03 H new ATOM 0 HZ PHE A 6 7.080 -4.539 12.095 1.00 71.53 H new ATOM 107 N PRO A 7 4.531 -2.637 19.823 1.00 31.43 N ATOM 108 CA PRO A 7 4.169 -2.002 21.102 1.00 73.42 C ATOM 109 C PRO A 7 4.456 -0.498 21.118 1.00 74.11 C ATOM 110 O PRO A 7 4.237 0.184 22.124 1.00 71.45 O ATOM 111 CB PRO A 7 5.058 -2.717 22.132 1.00 64.12 C ATOM 112 CG PRO A 7 5.553 -3.944 21.444 1.00 22.33 C ATOM 113 CD PRO A 7 5.633 -3.594 19.988 1.00 52.11 C ATOM 0 HA PRO A 7 3.101 -2.093 21.300 1.00 73.42 H new ATOM 0 HB2 PRO A 7 5.886 -2.081 22.445 1.00 64.12 H new ATOM 0 HB3 PRO A 7 4.494 -2.970 23.029 1.00 64.12 H new ATOM 0 HG2 PRO A 7 6.529 -4.241 21.829 1.00 22.33 H new ATOM 0 HG3 PRO A 7 4.877 -4.783 21.608 1.00 22.33 H new ATOM 0 HD2 PRO A 7 6.595 -3.151 19.731 1.00 52.11 H new ATOM 0 HD3 PRO A 7 5.506 -4.471 19.353 1.00 52.11 H new ATOM 121 N ARG A 8 4.947 0.009 19.998 1.00 61.00 N ATOM 122 CA ARG A 8 5.266 1.420 19.863 1.00 75.52 C ATOM 123 C ARG A 8 4.032 2.222 19.461 1.00 35.41 C ATOM 124 O ARG A 8 4.056 3.450 19.474 1.00 12.33 O ATOM 125 CB ARG A 8 6.381 1.608 18.830 1.00 2.55 C ATOM 126 CG ARG A 8 7.712 1.012 19.262 1.00 63.14 C ATOM 127 CD ARG A 8 8.339 1.809 20.395 1.00 71.31 C ATOM 128 NE ARG A 8 9.472 1.110 21.002 1.00 54.32 N ATOM 129 CZ ARG A 8 10.747 1.290 20.646 1.00 32.43 C ATOM 130 NH1 ARG A 8 11.056 2.106 19.645 1.00 12.54 N ATOM 131 NH2 ARG A 8 11.712 0.645 21.291 1.00 42.33 N ATOM 0 H ARG A 8 5.135 -0.544 19.161 1.00 61.00 H new ATOM 0 HA ARG A 8 5.610 1.789 20.829 1.00 75.52 H new ATOM 0 HB2 ARG A 8 6.075 1.151 17.889 1.00 2.55 H new ATOM 0 HB3 ARG A 8 6.513 2.673 18.639 1.00 2.55 H new ATOM 0 HG2 ARG A 8 7.563 -0.020 19.581 1.00 63.14 H new ATOM 0 HG3 ARG A 8 8.394 0.988 18.412 1.00 63.14 H new ATOM 0 HD2 ARG A 8 8.671 2.776 20.016 1.00 71.31 H new ATOM 0 HD3 ARG A 8 7.586 2.007 21.158 1.00 71.31 H new ATOM 0 HE ARG A 8 9.275 0.441 21.746 1.00 54.32 H new ATOM 0 HH11 ARG A 8 10.318 2.600 19.143 1.00 12.54 H new ATOM 0 HH12 ARG A 8 12.031 2.239 19.378 1.00 12.54 H new ATOM 0 HH21 ARG A 8 11.479 0.013 22.057 1.00 42.33 H new ATOM 0 HH22 ARG A 8 12.686 0.781 21.020 1.00 42.33 H new ATOM 145 N GLU A 9 2.952 1.524 19.106 1.00 3.41 N ATOM 146 CA GLU A 9 1.710 2.198 18.736 1.00 10.41 C ATOM 147 C GLU A 9 0.993 2.718 19.980 1.00 61.33 C ATOM 148 O GLU A 9 0.119 3.583 19.891 1.00 61.43 O ATOM 149 CB GLU A 9 0.777 1.274 17.943 1.00 40.11 C ATOM 150 CG GLU A 9 0.240 0.095 18.740 1.00 5.42 C ATOM 151 CD GLU A 9 -1.037 -0.475 18.152 1.00 52.31 C ATOM 152 OE1 GLU A 9 -2.107 0.139 18.357 1.00 3.13 O ATOM 153 OE2 GLU A 9 -0.979 -1.534 17.490 1.00 63.04 O ATOM 0 H GLU A 9 2.913 0.505 19.067 1.00 3.41 H new ATOM 0 HA GLU A 9 1.975 3.039 18.095 1.00 10.41 H new ATOM 0 HB2 GLU A 9 -0.064 1.859 17.570 1.00 40.11 H new ATOM 0 HB3 GLU A 9 1.313 0.896 17.073 1.00 40.11 H new ATOM 0 HG2 GLU A 9 0.998 -0.687 18.779 1.00 5.42 H new ATOM 0 HG3 GLU A 9 0.054 0.410 19.767 1.00 5.42 H new ATOM 160 N LEU A 10 1.359 2.183 21.139 1.00 51.13 N ATOM 161 CA LEU A 10 0.803 2.646 22.401 1.00 53.22 C ATOM 162 C LEU A 10 1.576 3.864 22.884 1.00 4.31 C ATOM 163 O LEU A 10 2.438 3.767 23.762 1.00 73.41 O ATOM 164 CB LEU A 10 0.826 1.545 23.475 1.00 44.41 C ATOM 165 CG LEU A 10 -0.097 0.341 23.231 1.00 41.40 C ATOM 166 CD1 LEU A 10 -1.482 0.795 22.797 1.00 21.14 C ATOM 167 CD2 LEU A 10 0.506 -0.617 22.212 1.00 34.21 C ATOM 0 H LEU A 10 2.039 1.428 21.229 1.00 51.13 H new ATOM 0 HA LEU A 10 -0.239 2.915 22.230 1.00 53.22 H new ATOM 0 HB2 LEU A 10 1.849 1.179 23.569 1.00 44.41 H new ATOM 0 HB3 LEU A 10 0.558 1.994 24.432 1.00 44.41 H new ATOM 0 HG LEU A 10 -0.199 -0.196 24.174 1.00 41.40 H new ATOM 0 HD11 LEU A 10 -2.115 -0.077 22.631 1.00 21.14 H new ATOM 0 HD12 LEU A 10 -1.921 1.419 23.575 1.00 21.14 H new ATOM 0 HD13 LEU A 10 -1.404 1.368 21.873 1.00 21.14 H new ATOM 0 HD21 LEU A 10 -0.169 -1.459 22.060 1.00 34.21 H new ATOM 0 HD22 LEU A 10 0.655 -0.096 21.266 1.00 34.21 H new ATOM 0 HD23 LEU A 10 1.465 -0.983 22.579 1.00 34.21 H new ATOM 179 N ARG A 11 1.287 5.001 22.269 1.00 60.30 N ATOM 180 CA ARG A 11 1.994 6.243 22.540 1.00 53.03 C ATOM 181 C ARG A 11 1.205 7.411 21.957 1.00 23.54 C ATOM 182 O ARG A 11 0.348 7.208 21.096 1.00 14.23 O ATOM 183 CB ARG A 11 3.402 6.181 21.925 1.00 45.03 C ATOM 184 CG ARG A 11 4.213 7.457 22.078 1.00 63.01 C ATOM 185 CD ARG A 11 5.591 7.326 21.454 1.00 53.54 C ATOM 186 NE ARG A 11 6.254 8.622 21.340 1.00 43.21 N ATOM 187 CZ ARG A 11 7.527 8.788 20.986 1.00 1.12 C ATOM 188 NH1 ARG A 11 8.307 7.738 20.774 1.00 61.10 N ATOM 189 NH2 ARG A 11 8.017 10.012 20.852 1.00 64.12 N ATOM 0 H ARG A 11 0.553 5.088 21.566 1.00 60.30 H new ATOM 0 HA ARG A 11 2.091 6.386 23.616 1.00 53.03 H new ATOM 0 HB2 ARG A 11 3.950 5.359 22.386 1.00 45.03 H new ATOM 0 HB3 ARG A 11 3.311 5.948 20.864 1.00 45.03 H new ATOM 0 HG2 ARG A 11 3.680 8.285 21.611 1.00 63.01 H new ATOM 0 HG3 ARG A 11 4.314 7.699 23.136 1.00 63.01 H new ATOM 0 HD2 ARG A 11 6.202 6.656 22.058 1.00 53.54 H new ATOM 0 HD3 ARG A 11 5.502 6.874 20.466 1.00 53.54 H new ATOM 0 HE ARG A 11 5.705 9.457 21.545 1.00 43.21 H new ATOM 0 HH11 ARG A 11 7.933 6.795 20.882 1.00 61.10 H new ATOM 0 HH12 ARG A 11 9.281 7.873 20.503 1.00 61.10 H new ATOM 0 HH21 ARG A 11 7.420 10.822 21.020 1.00 64.12 H new ATOM 0 HH22 ARG A 11 8.991 10.144 20.581 1.00 64.12 H new ATOM 203 N LEU A 12 1.472 8.621 22.445 1.00 71.31 N ATOM 204 CA LEU A 12 0.843 9.826 21.917 1.00 61.41 C ATOM 205 C LEU A 12 1.164 9.967 20.430 1.00 35.25 C ATOM 206 O LEU A 12 2.295 10.281 20.046 1.00 72.13 O ATOM 207 CB LEU A 12 1.321 11.062 22.705 1.00 14.42 C ATOM 208 CG LEU A 12 0.479 12.343 22.548 1.00 61.35 C ATOM 209 CD1 LEU A 12 0.707 13.004 21.198 1.00 14.43 C ATOM 210 CD2 LEU A 12 -0.996 12.037 22.741 1.00 72.10 C ATOM 0 H LEU A 12 2.124 8.791 23.210 1.00 71.31 H new ATOM 0 HA LEU A 12 -0.238 9.749 22.031 1.00 61.41 H new ATOM 0 HB2 LEU A 12 1.352 10.801 23.763 1.00 14.42 H new ATOM 0 HB3 LEU A 12 2.344 11.286 22.401 1.00 14.42 H new ATOM 0 HG LEU A 12 0.801 13.043 23.319 1.00 61.35 H new ATOM 0 HD11 LEU A 12 0.096 13.904 21.126 1.00 14.43 H new ATOM 0 HD12 LEU A 12 1.759 13.271 21.097 1.00 14.43 H new ATOM 0 HD13 LEU A 12 0.430 12.312 20.403 1.00 14.43 H new ATOM 0 HD21 LEU A 12 -1.576 12.953 22.627 1.00 72.10 H new ATOM 0 HD22 LEU A 12 -1.317 11.309 21.996 1.00 72.10 H new ATOM 0 HD23 LEU A 12 -1.155 11.629 23.739 1.00 72.10 H new ATOM 222 N LEU A 13 0.167 9.711 19.601 1.00 55.53 N ATOM 223 CA LEU A 13 0.330 9.795 18.165 1.00 4.33 C ATOM 224 C LEU A 13 -0.534 10.911 17.606 1.00 34.01 C ATOM 225 O LEU A 13 -1.631 11.165 18.105 1.00 0.10 O ATOM 226 CB LEU A 13 -0.040 8.462 17.503 1.00 12.51 C ATOM 227 CG LEU A 13 0.814 7.262 17.924 1.00 43.51 C ATOM 228 CD1 LEU A 13 0.313 5.992 17.253 1.00 31.14 C ATOM 229 CD2 LEU A 13 2.280 7.504 17.590 1.00 74.04 C ATOM 0 H LEU A 13 -0.769 9.442 19.903 1.00 55.53 H new ATOM 0 HA LEU A 13 1.376 10.013 17.947 1.00 4.33 H new ATOM 0 HB2 LEU A 13 -1.083 8.241 17.728 1.00 12.51 H new ATOM 0 HB3 LEU A 13 0.035 8.579 16.422 1.00 12.51 H new ATOM 0 HG LEU A 13 0.727 7.138 19.003 1.00 43.51 H new ATOM 0 HD11 LEU A 13 0.931 5.149 17.563 1.00 31.14 H new ATOM 0 HD12 LEU A 13 -0.722 5.810 17.544 1.00 31.14 H new ATOM 0 HD13 LEU A 13 0.370 6.105 16.170 1.00 31.14 H new ATOM 0 HD21 LEU A 13 2.870 6.641 17.897 1.00 74.04 H new ATOM 0 HD22 LEU A 13 2.388 7.655 16.516 1.00 74.04 H new ATOM 0 HD23 LEU A 13 2.632 8.390 18.118 1.00 74.04 H new ATOM 241 N THR A 14 -0.027 11.591 16.597 1.00 45.35 N ATOM 242 CA THR A 14 -0.776 12.639 15.936 1.00 52.12 C ATOM 243 C THR A 14 -1.951 12.029 15.176 1.00 4.40 C ATOM 244 O THR A 14 -1.760 11.088 14.409 1.00 41.22 O ATOM 245 CB THR A 14 0.130 13.422 14.973 1.00 14.34 C ATOM 246 OG1 THR A 14 1.340 13.788 15.654 1.00 63.21 O ATOM 247 CG2 THR A 14 -0.564 14.674 14.463 1.00 31.33 C ATOM 0 H THR A 14 0.906 11.435 16.216 1.00 45.35 H new ATOM 0 HA THR A 14 -1.156 13.330 16.688 1.00 52.12 H new ATOM 0 HB THR A 14 0.358 12.786 14.118 1.00 14.34 H new ATOM 0 HG1 THR A 14 1.922 14.286 15.043 1.00 63.21 H new ATOM 0 HG21 THR A 14 0.101 15.208 13.784 1.00 31.33 H new ATOM 0 HG22 THR A 14 -1.475 14.395 13.934 1.00 31.33 H new ATOM 0 HG23 THR A 14 -0.816 15.319 15.305 1.00 31.33 H new ATOM 255 N PRO A 15 -3.178 12.539 15.414 1.00 1.30 N ATOM 256 CA PRO A 15 -4.403 12.011 14.798 1.00 14.55 C ATOM 257 C PRO A 15 -4.289 11.847 13.286 1.00 11.43 C ATOM 258 O PRO A 15 -4.457 12.802 12.527 1.00 1.02 O ATOM 259 CB PRO A 15 -5.459 13.059 15.149 1.00 2.23 C ATOM 260 CG PRO A 15 -4.967 13.674 16.412 1.00 24.34 C ATOM 261 CD PRO A 15 -3.465 13.671 16.315 1.00 44.24 C ATOM 0 HA PRO A 15 -4.635 11.011 15.163 1.00 14.55 H new ATOM 0 HB2 PRO A 15 -5.559 13.802 14.358 1.00 2.23 H new ATOM 0 HB3 PRO A 15 -6.440 12.604 15.285 1.00 2.23 H new ATOM 0 HG2 PRO A 15 -5.349 14.688 16.527 1.00 24.34 H new ATOM 0 HG3 PRO A 15 -5.303 13.106 17.280 1.00 24.34 H new ATOM 0 HD2 PRO A 15 -3.087 14.610 15.911 1.00 44.24 H new ATOM 0 HD3 PRO A 15 -3.000 13.534 17.291 1.00 44.24 H new ATOM 269 N SER A 16 -3.974 10.628 12.873 1.00 61.33 N ATOM 270 CA SER A 16 -3.804 10.287 11.474 1.00 1.21 C ATOM 271 C SER A 16 -3.637 8.781 11.351 1.00 44.21 C ATOM 272 O SER A 16 -2.751 8.195 11.975 1.00 72.12 O ATOM 273 CB SER A 16 -2.580 11.004 10.891 1.00 61.10 C ATOM 274 OG SER A 16 -2.329 10.607 9.551 1.00 64.54 O ATOM 0 H SER A 16 -3.829 9.843 13.508 1.00 61.33 H new ATOM 0 HA SER A 16 -4.683 10.607 10.914 1.00 1.21 H new ATOM 0 HB2 SER A 16 -2.738 12.082 10.928 1.00 61.10 H new ATOM 0 HB3 SER A 16 -1.705 10.788 11.505 1.00 61.10 H new ATOM 0 HG SER A 16 -1.389 10.775 9.331 1.00 64.54 H new ATOM 280 N GLN A 17 -4.488 8.149 10.564 1.00 13.10 N ATOM 281 CA GLN A 17 -4.434 6.704 10.421 1.00 61.00 C ATOM 282 C GLN A 17 -3.312 6.311 9.468 1.00 4.12 C ATOM 283 O GLN A 17 -2.862 5.168 9.462 1.00 55.52 O ATOM 284 CB GLN A 17 -5.779 6.156 9.942 1.00 63.55 C ATOM 285 CG GLN A 17 -6.137 6.542 8.519 1.00 14.44 C ATOM 286 CD GLN A 17 -7.506 6.047 8.105 1.00 51.24 C ATOM 287 OE1 GLN A 17 -8.421 5.948 8.925 1.00 24.44 O ATOM 288 NE2 GLN A 17 -7.642 5.693 6.841 1.00 30.43 N ATOM 0 H GLN A 17 -5.218 8.607 10.019 1.00 13.10 H new ATOM 0 HA GLN A 17 -4.225 6.265 11.396 1.00 61.00 H new ATOM 0 HB2 GLN A 17 -5.764 5.069 10.019 1.00 63.55 H new ATOM 0 HB3 GLN A 17 -6.563 6.512 10.611 1.00 63.55 H new ATOM 0 HG2 GLN A 17 -6.103 7.627 8.422 1.00 14.44 H new ATOM 0 HG3 GLN A 17 -5.388 6.138 7.838 1.00 14.44 H new ATOM 0 HE21 GLN A 17 -6.858 5.792 6.196 1.00 30.43 H new ATOM 0 HE22 GLN A 17 -8.531 5.320 6.509 1.00 30.43 H new ATOM 297 N PHE A 18 -2.851 7.273 8.682 1.00 42.11 N ATOM 298 CA PHE A 18 -1.760 7.035 7.750 1.00 40.51 C ATOM 299 C PHE A 18 -0.423 7.192 8.462 1.00 24.21 C ATOM 300 O PHE A 18 0.463 6.352 8.333 1.00 63.43 O ATOM 301 CB PHE A 18 -1.849 7.999 6.566 1.00 31.41 C ATOM 302 CG PHE A 18 -3.123 7.866 5.780 1.00 32.12 C ATOM 303 CD1 PHE A 18 -3.303 6.812 4.900 1.00 32.51 C ATOM 304 CD2 PHE A 18 -4.143 8.793 5.927 1.00 31.13 C ATOM 305 CE1 PHE A 18 -4.475 6.687 4.178 1.00 14.13 C ATOM 306 CE2 PHE A 18 -5.317 8.673 5.208 1.00 22.23 C ATOM 307 CZ PHE A 18 -5.485 7.618 4.333 1.00 3.30 C ATOM 0 H PHE A 18 -3.216 8.225 8.671 1.00 42.11 H new ATOM 0 HA PHE A 18 -1.839 6.016 7.371 1.00 40.51 H new ATOM 0 HB2 PHE A 18 -1.763 9.022 6.933 1.00 31.41 H new ATOM 0 HB3 PHE A 18 -1.002 7.826 5.902 1.00 31.41 H new ATOM 0 HD1 PHE A 18 -2.519 6.080 4.776 1.00 32.51 H new ATOM 0 HD2 PHE A 18 -4.019 9.619 6.612 1.00 31.13 H new ATOM 0 HE1 PHE A 18 -4.602 5.862 3.493 1.00 14.13 H new ATOM 0 HE2 PHE A 18 -6.103 9.404 5.330 1.00 22.23 H new ATOM 0 HZ PHE A 18 -6.402 7.521 3.772 1.00 3.30 H new ATOM 317 N THR A 19 -0.302 8.256 9.249 1.00 30.11 N ATOM 318 CA THR A 19 0.907 8.522 10.014 1.00 52.54 C ATOM 319 C THR A 19 1.115 7.458 11.099 1.00 41.04 C ATOM 320 O THR A 19 2.192 7.346 11.686 1.00 62.33 O ATOM 321 CB THR A 19 0.839 9.929 10.646 1.00 34.12 C ATOM 322 OG1 THR A 19 0.495 10.883 9.631 1.00 4.34 O ATOM 323 CG2 THR A 19 2.164 10.324 11.282 1.00 33.22 C ATOM 0 H THR A 19 -1.036 8.954 9.373 1.00 30.11 H new ATOM 0 HA THR A 19 1.758 8.482 9.334 1.00 52.54 H new ATOM 0 HB THR A 19 0.082 9.914 11.430 1.00 34.12 H new ATOM 0 HG1 THR A 19 0.448 11.779 10.026 1.00 4.34 H new ATOM 0 HG21 THR A 19 2.077 11.320 11.716 1.00 33.22 H new ATOM 0 HG22 THR A 19 2.420 9.609 12.064 1.00 33.22 H new ATOM 0 HG23 THR A 19 2.946 10.327 10.522 1.00 33.22 H new ATOM 331 N PHE A 20 0.079 6.663 11.335 1.00 44.41 N ATOM 332 CA PHE A 20 0.146 5.556 12.277 1.00 22.44 C ATOM 333 C PHE A 20 1.248 4.577 11.875 1.00 12.25 C ATOM 334 O PHE A 20 1.981 4.069 12.722 1.00 54.33 O ATOM 335 CB PHE A 20 -1.211 4.843 12.327 1.00 24.10 C ATOM 336 CG PHE A 20 -1.291 3.728 13.334 1.00 44.22 C ATOM 337 CD1 PHE A 20 -1.620 3.994 14.655 1.00 23.52 C ATOM 338 CD2 PHE A 20 -1.045 2.416 12.961 1.00 52.30 C ATOM 339 CE1 PHE A 20 -1.701 2.972 15.581 1.00 42.13 C ATOM 340 CE2 PHE A 20 -1.123 1.391 13.881 1.00 74.13 C ATOM 341 CZ PHE A 20 -1.452 1.671 15.194 1.00 32.24 C ATOM 0 H PHE A 20 -0.828 6.768 10.880 1.00 44.41 H new ATOM 0 HA PHE A 20 0.382 5.945 13.267 1.00 22.44 H new ATOM 0 HB2 PHE A 20 -1.985 5.577 12.553 1.00 24.10 H new ATOM 0 HB3 PHE A 20 -1.433 4.440 11.339 1.00 24.10 H new ATOM 0 HD1 PHE A 20 -1.815 5.011 14.963 1.00 23.52 H new ATOM 0 HD2 PHE A 20 -0.789 2.193 11.936 1.00 52.30 H new ATOM 0 HE1 PHE A 20 -1.959 3.191 16.607 1.00 42.13 H new ATOM 0 HE2 PHE A 20 -0.928 0.373 13.576 1.00 74.13 H new ATOM 0 HZ PHE A 20 -1.514 0.871 15.917 1.00 32.24 H new ATOM 351 N VAL A 21 1.380 4.335 10.574 1.00 50.12 N ATOM 352 CA VAL A 21 2.378 3.394 10.079 1.00 31.42 C ATOM 353 C VAL A 21 3.725 4.081 9.890 1.00 12.02 C ATOM 354 O VAL A 21 4.732 3.433 9.622 1.00 31.41 O ATOM 355 CB VAL A 21 1.953 2.736 8.749 1.00 53.23 C ATOM 356 CG1 VAL A 21 0.575 2.111 8.880 1.00 41.30 C ATOM 357 CG2 VAL A 21 1.988 3.739 7.606 1.00 22.32 C ATOM 0 H VAL A 21 0.813 4.774 9.849 1.00 50.12 H new ATOM 0 HA VAL A 21 2.466 2.612 10.833 1.00 31.42 H new ATOM 0 HB VAL A 21 2.667 1.945 8.519 1.00 53.23 H new ATOM 0 HG11 VAL A 21 0.292 1.652 7.933 1.00 41.30 H new ATOM 0 HG12 VAL A 21 0.593 1.350 9.661 1.00 41.30 H new ATOM 0 HG13 VAL A 21 -0.151 2.881 9.141 1.00 41.30 H new ATOM 0 HG21 VAL A 21 1.684 3.248 6.682 1.00 22.32 H new ATOM 0 HG22 VAL A 21 1.305 4.561 7.822 1.00 22.32 H new ATOM 0 HG23 VAL A 21 3.000 4.128 7.494 1.00 22.32 H new ATOM 367 N PHE A 22 3.739 5.398 10.049 1.00 12.03 N ATOM 368 CA PHE A 22 4.965 6.172 9.904 1.00 1.23 C ATOM 369 C PHE A 22 5.849 6.030 11.140 1.00 63.40 C ATOM 370 O PHE A 22 6.896 6.668 11.249 1.00 53.20 O ATOM 371 CB PHE A 22 4.649 7.643 9.615 1.00 55.32 C ATOM 372 CG PHE A 22 4.412 7.926 8.154 1.00 34.23 C ATOM 373 CD1 PHE A 22 5.473 8.236 7.317 1.00 1.33 C ATOM 374 CD2 PHE A 22 3.135 7.877 7.619 1.00 12.22 C ATOM 375 CE1 PHE A 22 5.263 8.494 5.976 1.00 62.24 C ATOM 376 CE2 PHE A 22 2.919 8.134 6.279 1.00 53.34 C ATOM 377 CZ PHE A 22 3.985 8.442 5.456 1.00 11.31 C ATOM 0 H PHE A 22 2.915 5.953 10.279 1.00 12.03 H new ATOM 0 HA PHE A 22 5.518 5.775 9.053 1.00 1.23 H new ATOM 0 HB2 PHE A 22 3.766 7.936 10.183 1.00 55.32 H new ATOM 0 HB3 PHE A 22 5.474 8.261 9.968 1.00 55.32 H new ATOM 0 HD1 PHE A 22 6.475 8.276 7.718 1.00 1.33 H new ATOM 0 HD2 PHE A 22 2.298 7.635 8.257 1.00 12.22 H new ATOM 0 HE1 PHE A 22 6.098 8.736 5.335 1.00 62.24 H new ATOM 0 HE2 PHE A 22 1.918 8.094 5.875 1.00 53.34 H new ATOM 0 HZ PHE A 22 3.819 8.642 4.408 1.00 11.31 H new ATOM 387 N GLN A 23 5.411 5.195 12.074 1.00 51.34 N ATOM 388 CA GLN A 23 6.243 4.809 13.201 1.00 25.35 C ATOM 389 C GLN A 23 7.088 3.602 12.804 1.00 11.43 C ATOM 390 O GLN A 23 8.300 3.714 12.625 1.00 71.42 O ATOM 391 CB GLN A 23 5.386 4.477 14.426 1.00 10.30 C ATOM 392 CG GLN A 23 4.530 5.640 14.915 1.00 31.42 C ATOM 393 CD GLN A 23 5.353 6.822 15.392 1.00 4.25 C ATOM 394 OE1 GLN A 23 5.708 6.915 16.567 1.00 43.41 O ATOM 395 NE2 GLN A 23 5.651 7.743 14.488 1.00 3.40 N ATOM 0 H GLN A 23 4.482 4.773 12.071 1.00 51.34 H new ATOM 0 HA GLN A 23 6.893 5.643 13.466 1.00 25.35 H new ATOM 0 HB2 GLN A 23 4.736 3.636 14.185 1.00 10.30 H new ATOM 0 HB3 GLN A 23 6.039 4.153 15.237 1.00 10.30 H new ATOM 0 HG2 GLN A 23 3.872 5.964 14.109 1.00 31.42 H new ATOM 0 HG3 GLN A 23 3.891 5.297 15.729 1.00 31.42 H new ATOM 0 HE21 GLN A 23 5.339 7.631 13.523 1.00 3.40 H new ATOM 0 HE22 GLN A 23 6.193 8.565 14.756 1.00 3.40 H new ATOM 404 N GLN A 24 6.431 2.456 12.638 1.00 53.22 N ATOM 405 CA GLN A 24 7.090 1.241 12.166 1.00 51.41 C ATOM 406 C GLN A 24 6.144 0.460 11.253 1.00 55.12 C ATOM 407 O GLN A 24 5.248 -0.238 11.729 1.00 72.40 O ATOM 408 CB GLN A 24 7.534 0.356 13.338 1.00 51.31 C ATOM 409 CG GLN A 24 8.544 1.018 14.266 1.00 45.21 C ATOM 410 CD GLN A 24 9.116 0.062 15.295 1.00 13.13 C ATOM 411 OE1 GLN A 24 9.252 -1.199 14.918 1.00 11.33 O flip ATOM 412 NE2 GLN A 24 9.449 0.457 16.411 1.00 21.55 N flip ATOM 0 H GLN A 24 5.435 2.344 12.825 1.00 53.22 H new ATOM 0 HA GLN A 24 7.980 1.532 11.608 1.00 51.41 H new ATOM 0 HB2 GLN A 24 6.656 0.071 13.918 1.00 51.31 H new ATOM 0 HB3 GLN A 24 7.967 -0.563 12.942 1.00 51.31 H new ATOM 0 HG2 GLN A 24 9.358 1.433 13.672 1.00 45.21 H new ATOM 0 HG3 GLN A 24 8.066 1.852 14.779 1.00 45.21 H new ATOM 0 HE21 GLN A 24 9.327 1.438 16.662 1.00 21.55 H new ATOM 0 HE22 GLN A 24 9.847 -0.196 17.086 1.00 21.55 H new ATOM 421 N PRO A 25 6.308 0.601 9.931 1.00 72.32 N ATOM 422 CA PRO A 25 5.440 -0.039 8.949 1.00 70.43 C ATOM 423 C PRO A 25 5.965 -1.386 8.453 1.00 32.21 C ATOM 424 O PRO A 25 7.097 -1.778 8.744 1.00 74.24 O ATOM 425 CB PRO A 25 5.460 0.980 7.813 1.00 53.43 C ATOM 426 CG PRO A 25 6.841 1.557 7.850 1.00 54.05 C ATOM 427 CD PRO A 25 7.338 1.425 9.274 1.00 2.22 C ATOM 0 HA PRO A 25 4.457 -0.272 9.358 1.00 70.43 H new ATOM 0 HB2 PRO A 25 5.253 0.508 6.853 1.00 53.43 H new ATOM 0 HB3 PRO A 25 4.704 1.751 7.959 1.00 53.43 H new ATOM 0 HG2 PRO A 25 7.499 1.027 7.161 1.00 54.05 H new ATOM 0 HG3 PRO A 25 6.831 2.602 7.540 1.00 54.05 H new ATOM 0 HD2 PRO A 25 8.317 0.948 9.313 1.00 2.22 H new ATOM 0 HD3 PRO A 25 7.438 2.398 9.755 1.00 2.22 H new ATOM 435 N GLN A 26 5.127 -2.092 7.705 1.00 64.30 N ATOM 436 CA GLN A 26 5.531 -3.318 7.032 1.00 13.53 C ATOM 437 C GLN A 26 5.413 -3.130 5.525 1.00 55.55 C ATOM 438 O GLN A 26 4.320 -3.201 4.961 1.00 60.52 O ATOM 439 CB GLN A 26 4.671 -4.499 7.494 1.00 62.22 C ATOM 440 CG GLN A 26 4.895 -4.886 8.949 1.00 24.41 C ATOM 441 CD GLN A 26 6.267 -5.486 9.190 1.00 31.40 C ATOM 442 OE1 GLN A 26 6.448 -6.701 9.108 1.00 30.32 O ATOM 443 NE2 GLN A 26 7.248 -4.645 9.480 1.00 44.31 N ATOM 0 H GLN A 26 4.153 -1.832 7.549 1.00 64.30 H new ATOM 0 HA GLN A 26 6.568 -3.538 7.287 1.00 13.53 H new ATOM 0 HB2 GLN A 26 3.620 -4.249 7.351 1.00 62.22 H new ATOM 0 HB3 GLN A 26 4.883 -5.361 6.861 1.00 62.22 H new ATOM 0 HG2 GLN A 26 4.773 -4.004 9.578 1.00 24.41 H new ATOM 0 HG3 GLN A 26 4.131 -5.602 9.252 1.00 24.41 H new ATOM 0 HE21 GLN A 26 7.061 -3.644 9.539 1.00 44.31 H new ATOM 0 HE22 GLN A 26 8.191 -4.998 9.644 1.00 44.31 H new ATOM 452 N ARG A 27 6.538 -2.855 4.882 1.00 34.11 N ATOM 453 CA ARG A 27 6.550 -2.546 3.458 1.00 43.24 C ATOM 454 C ARG A 27 6.370 -3.804 2.612 1.00 52.31 C ATOM 455 O ARG A 27 7.183 -4.729 2.665 1.00 15.31 O ATOM 456 CB ARG A 27 7.858 -1.845 3.078 1.00 43.10 C ATOM 457 CG ARG A 27 7.965 -1.510 1.598 1.00 24.31 C ATOM 458 CD ARG A 27 9.312 -0.889 1.262 1.00 3.41 C ATOM 459 NE ARG A 27 9.443 -0.596 -0.166 1.00 64.41 N ATOM 460 CZ ARG A 27 10.379 -1.131 -0.951 1.00 41.31 C ATOM 461 NH1 ARG A 27 11.235 -2.019 -0.457 1.00 31.03 N ATOM 462 NH2 ARG A 27 10.445 -0.790 -2.234 1.00 30.50 N ATOM 0 H ARG A 27 7.457 -2.839 5.324 1.00 34.11 H new ATOM 0 HA ARG A 27 5.711 -1.879 3.256 1.00 43.24 H new ATOM 0 HB2 ARG A 27 7.949 -0.926 3.657 1.00 43.10 H new ATOM 0 HB3 ARG A 27 8.696 -2.483 3.359 1.00 43.10 H new ATOM 0 HG2 ARG A 27 7.824 -2.416 1.008 1.00 24.31 H new ATOM 0 HG3 ARG A 27 7.167 -0.821 1.321 1.00 24.31 H new ATOM 0 HD2 ARG A 27 9.439 0.031 1.833 1.00 3.41 H new ATOM 0 HD3 ARG A 27 10.109 -1.567 1.567 1.00 3.41 H new ATOM 0 HE ARG A 27 8.780 0.056 -0.585 1.00 64.41 H new ATOM 0 HH11 ARG A 27 11.177 -2.292 0.524 1.00 31.03 H new ATOM 0 HH12 ARG A 27 11.950 -2.427 -1.059 1.00 31.03 H new ATOM 0 HH21 ARG A 27 9.780 -0.119 -2.618 1.00 30.50 H new ATOM 0 HH22 ARG A 27 11.161 -1.199 -2.834 1.00 30.50 H new ATOM 476 N ALA A 28 5.299 -3.829 1.835 1.00 5.11 N ATOM 477 CA ALA A 28 5.047 -4.925 0.916 1.00 54.33 C ATOM 478 C ALA A 28 4.613 -4.387 -0.440 1.00 42.43 C ATOM 479 O ALA A 28 3.429 -4.139 -0.673 1.00 52.11 O ATOM 480 CB ALA A 28 4.002 -5.876 1.480 1.00 74.25 C ATOM 0 H ALA A 28 4.587 -3.098 1.823 1.00 5.11 H new ATOM 0 HA ALA A 28 5.973 -5.485 0.785 1.00 54.33 H new ATOM 0 HB1 ALA A 28 3.830 -6.688 0.774 1.00 74.25 H new ATOM 0 HB2 ALA A 28 4.356 -6.286 2.426 1.00 74.25 H new ATOM 0 HB3 ALA A 28 3.070 -5.336 1.645 1.00 74.25 H new ATOM 486 N GLY A 29 5.583 -4.182 -1.321 1.00 12.21 N ATOM 487 CA GLY A 29 5.299 -3.642 -2.634 1.00 2.40 C ATOM 488 C GLY A 29 6.529 -3.627 -3.514 1.00 25.53 C ATOM 489 O GLY A 29 7.484 -4.364 -3.262 1.00 50.34 O ATOM 0 H GLY A 29 6.568 -4.382 -1.147 1.00 12.21 H new ATOM 0 HA2 GLY A 29 4.519 -4.236 -3.110 1.00 2.40 H new ATOM 0 HA3 GLY A 29 4.911 -2.628 -2.534 1.00 2.40 H new ATOM 493 N THR A 30 6.521 -2.779 -4.529 1.00 24.23 N ATOM 494 CA THR A 30 7.625 -2.703 -5.470 1.00 0.10 C ATOM 495 C THR A 30 8.317 -1.338 -5.374 1.00 11.40 C ATOM 496 O THR A 30 7.859 -0.458 -4.638 1.00 34.41 O ATOM 497 CB THR A 30 7.132 -2.952 -6.912 1.00 50.11 C ATOM 498 OG1 THR A 30 6.146 -1.977 -7.266 1.00 20.41 O ATOM 499 CG2 THR A 30 6.545 -4.350 -7.057 1.00 23.42 C ATOM 0 H THR A 30 5.758 -2.131 -4.723 1.00 24.23 H new ATOM 0 HA THR A 30 8.346 -3.479 -5.214 1.00 0.10 H new ATOM 0 HB THR A 30 7.988 -2.867 -7.582 1.00 50.11 H new ATOM 0 HG1 THR A 30 5.839 -2.140 -8.182 1.00 20.41 H new ATOM 0 HG21 THR A 30 6.206 -4.498 -8.082 1.00 23.42 H new ATOM 0 HG22 THR A 30 7.307 -5.091 -6.816 1.00 23.42 H new ATOM 0 HG23 THR A 30 5.701 -4.463 -6.376 1.00 23.42 H new ATOM 507 N PRO A 31 9.444 -1.146 -6.090 1.00 51.54 N ATOM 508 CA PRO A 31 10.167 0.135 -6.105 1.00 35.54 C ATOM 509 C PRO A 31 9.331 1.294 -6.648 1.00 61.54 C ATOM 510 O PRO A 31 9.552 2.443 -6.279 1.00 60.42 O ATOM 511 CB PRO A 31 11.364 -0.131 -7.026 1.00 3.52 C ATOM 512 CG PRO A 31 11.519 -1.611 -7.040 1.00 42.02 C ATOM 513 CD PRO A 31 10.132 -2.166 -6.904 1.00 51.13 C ATOM 0 HA PRO A 31 10.442 0.440 -5.096 1.00 35.54 H new ATOM 0 HB2 PRO A 31 11.184 0.256 -8.029 1.00 3.52 H new ATOM 0 HB3 PRO A 31 12.265 0.357 -6.653 1.00 3.52 H new ATOM 0 HG2 PRO A 31 11.986 -1.947 -7.966 1.00 42.02 H new ATOM 0 HG3 PRO A 31 12.157 -1.946 -6.222 1.00 42.02 H new ATOM 0 HD2 PRO A 31 9.653 -2.298 -7.874 1.00 51.13 H new ATOM 0 HD3 PRO A 31 10.133 -3.140 -6.414 1.00 51.13 H new ATOM 521 N GLN A 32 8.373 0.996 -7.518 1.00 71.34 N ATOM 522 CA GLN A 32 7.556 2.045 -8.118 1.00 14.41 C ATOM 523 C GLN A 32 6.291 2.305 -7.301 1.00 72.12 C ATOM 524 O GLN A 32 5.837 3.445 -7.187 1.00 62.35 O ATOM 525 CB GLN A 32 7.198 1.699 -9.567 1.00 74.21 C ATOM 526 CG GLN A 32 6.401 0.413 -9.723 1.00 14.21 C ATOM 527 CD GLN A 32 6.047 0.129 -11.166 1.00 22.12 C ATOM 528 OE1 GLN A 32 5.008 0.560 -11.659 1.00 74.34 O ATOM 529 NE2 GLN A 32 6.903 -0.610 -11.848 1.00 12.20 N ATOM 0 H GLN A 32 8.144 0.049 -7.821 1.00 71.34 H new ATOM 0 HA GLN A 32 8.148 2.960 -8.118 1.00 14.41 H new ATOM 0 HB2 GLN A 32 6.625 2.522 -9.994 1.00 74.21 H new ATOM 0 HB3 GLN A 32 8.117 1.616 -10.147 1.00 74.21 H new ATOM 0 HG2 GLN A 32 6.978 -0.420 -9.322 1.00 14.21 H new ATOM 0 HG3 GLN A 32 5.487 0.481 -9.133 1.00 14.21 H new ATOM 0 HE21 GLN A 32 7.755 -0.948 -11.400 1.00 12.20 H new ATOM 0 HE22 GLN A 32 6.712 -0.843 -12.823 1.00 12.20 H new ATOM 538 N ILE A 33 5.724 1.252 -6.725 1.00 61.10 N ATOM 539 CA ILE A 33 4.543 1.392 -5.887 1.00 72.44 C ATOM 540 C ILE A 33 4.768 0.710 -4.540 1.00 23.42 C ATOM 541 O ILE A 33 4.760 -0.517 -4.427 1.00 3.03 O ATOM 542 CB ILE A 33 3.263 0.857 -6.585 1.00 73.21 C ATOM 543 CG1 ILE A 33 2.076 0.872 -5.616 1.00 33.53 C ATOM 544 CG2 ILE A 33 3.476 -0.538 -7.159 1.00 23.35 C ATOM 545 CD1 ILE A 33 0.779 0.390 -6.226 1.00 64.45 C ATOM 0 H ILE A 33 6.063 0.295 -6.823 1.00 61.10 H new ATOM 0 HA ILE A 33 4.381 2.456 -5.715 1.00 72.44 H new ATOM 0 HB ILE A 33 3.039 1.521 -7.419 1.00 73.21 H new ATOM 0 HG12 ILE A 33 2.315 0.248 -4.755 1.00 33.53 H new ATOM 0 HG13 ILE A 33 1.936 1.887 -5.245 1.00 33.53 H new ATOM 0 HG21 ILE A 33 2.558 -0.878 -7.639 1.00 23.35 H new ATOM 0 HG22 ILE A 33 4.281 -0.510 -7.893 1.00 23.35 H new ATOM 0 HG23 ILE A 33 3.741 -1.225 -6.356 1.00 23.35 H new ATOM 0 HD11 ILE A 33 -0.012 0.431 -5.477 1.00 64.45 H new ATOM 0 HD12 ILE A 33 0.514 1.028 -7.069 1.00 64.45 H new ATOM 0 HD13 ILE A 33 0.899 -0.637 -6.572 1.00 64.45 H new ATOM 557 N THR A 34 5.001 1.524 -3.522 1.00 24.11 N ATOM 558 CA THR A 34 5.322 1.021 -2.198 1.00 51.41 C ATOM 559 C THR A 34 4.106 1.069 -1.276 1.00 10.44 C ATOM 560 O THR A 34 3.616 2.142 -0.920 1.00 4.23 O ATOM 561 CB THR A 34 6.491 1.821 -1.583 1.00 44.35 C ATOM 562 OG1 THR A 34 7.682 1.587 -2.349 1.00 31.12 O ATOM 563 CG2 THR A 34 6.733 1.433 -0.131 1.00 24.05 C ATOM 0 H THR A 34 4.973 2.541 -3.590 1.00 24.11 H new ATOM 0 HA THR A 34 5.625 -0.021 -2.303 1.00 51.41 H new ATOM 0 HB THR A 34 6.229 2.879 -1.608 1.00 44.35 H new ATOM 0 HG1 THR A 34 7.508 0.895 -3.021 1.00 31.12 H new ATOM 0 HG21 THR A 34 7.563 2.016 0.268 1.00 24.05 H new ATOM 0 HG22 THR A 34 5.835 1.633 0.453 1.00 24.05 H new ATOM 0 HG23 THR A 34 6.975 0.372 -0.073 1.00 24.05 H new ATOM 571 N ILE A 35 3.614 -0.105 -0.911 1.00 50.31 N ATOM 572 CA ILE A 35 2.485 -0.213 -0.006 1.00 54.02 C ATOM 573 C ILE A 35 2.974 -0.397 1.428 1.00 12.54 C ATOM 574 O ILE A 35 3.614 -1.403 1.749 1.00 64.21 O ATOM 575 CB ILE A 35 1.574 -1.402 -0.388 1.00 71.24 C ATOM 576 CG1 ILE A 35 1.138 -1.296 -1.853 1.00 54.34 C ATOM 577 CG2 ILE A 35 0.359 -1.464 0.529 1.00 14.34 C ATOM 578 CD1 ILE A 35 0.321 -2.480 -2.336 1.00 51.25 C ATOM 0 H ILE A 35 3.983 -1.000 -1.231 1.00 50.31 H new ATOM 0 HA ILE A 35 1.909 0.709 -0.084 1.00 54.02 H new ATOM 0 HB ILE A 35 2.143 -2.323 -0.264 1.00 71.24 H new ATOM 0 HG12 ILE A 35 0.553 -0.386 -1.983 1.00 54.34 H new ATOM 0 HG13 ILE A 35 2.024 -1.198 -2.480 1.00 54.34 H new ATOM 0 HG21 ILE A 35 -0.270 -2.308 0.244 1.00 14.34 H new ATOM 0 HG22 ILE A 35 0.688 -1.589 1.561 1.00 14.34 H new ATOM 0 HG23 ILE A 35 -0.212 -0.540 0.440 1.00 14.34 H new ATOM 0 HD11 ILE A 35 0.050 -2.333 -3.381 1.00 51.25 H new ATOM 0 HD12 ILE A 35 0.910 -3.392 -2.239 1.00 51.25 H new ATOM 0 HD13 ILE A 35 -0.584 -2.567 -1.735 1.00 51.25 H new ATOM 590 N LEU A 36 2.693 0.577 2.276 1.00 63.22 N ATOM 591 CA LEU A 36 3.040 0.481 3.684 1.00 32.23 C ATOM 592 C LEU A 36 1.923 -0.233 4.427 1.00 61.25 C ATOM 593 O LEU A 36 0.850 0.329 4.654 1.00 32.21 O ATOM 594 CB LEU A 36 3.289 1.864 4.302 1.00 22.42 C ATOM 595 CG LEU A 36 4.544 2.612 3.819 1.00 45.40 C ATOM 596 CD1 LEU A 36 5.771 1.715 3.889 1.00 74.15 C ATOM 597 CD2 LEU A 36 4.354 3.158 2.410 1.00 61.41 C ATOM 0 H LEU A 36 2.225 1.445 2.014 1.00 63.22 H new ATOM 0 HA LEU A 36 3.966 -0.086 3.772 1.00 32.23 H new ATOM 0 HB2 LEU A 36 2.419 2.490 4.101 1.00 22.42 H new ATOM 0 HB3 LEU A 36 3.355 1.748 5.384 1.00 22.42 H new ATOM 0 HG LEU A 36 4.702 3.459 4.487 1.00 45.40 H new ATOM 0 HD11 LEU A 36 6.645 2.266 3.542 1.00 74.15 H new ATOM 0 HD12 LEU A 36 5.929 1.394 4.919 1.00 74.15 H new ATOM 0 HD13 LEU A 36 5.619 0.841 3.256 1.00 74.15 H new ATOM 0 HD21 LEU A 36 5.258 3.681 2.098 1.00 61.41 H new ATOM 0 HD22 LEU A 36 4.156 2.334 1.724 1.00 61.41 H new ATOM 0 HD23 LEU A 36 3.512 3.850 2.398 1.00 61.41 H new ATOM 609 N GLY A 37 2.168 -1.484 4.780 1.00 64.44 N ATOM 610 CA GLY A 37 1.146 -2.281 5.413 1.00 11.21 C ATOM 611 C GLY A 37 1.255 -2.285 6.921 1.00 1.30 C ATOM 612 O GLY A 37 2.304 -1.957 7.481 1.00 45.24 O ATOM 0 H GLY A 37 3.059 -1.961 4.638 1.00 64.44 H new ATOM 0 HA2 GLY A 37 0.166 -1.901 5.125 1.00 11.21 H new ATOM 0 HA3 GLY A 37 1.211 -3.305 5.046 1.00 11.21 H new ATOM 616 N ARG A 38 0.166 -2.649 7.575 1.00 52.12 N ATOM 617 CA ARG A 38 0.136 -2.767 9.022 1.00 3.24 C ATOM 618 C ARG A 38 -0.703 -3.967 9.429 1.00 64.33 C ATOM 619 O ARG A 38 -1.757 -4.220 8.846 1.00 63.12 O ATOM 620 CB ARG A 38 -0.424 -1.493 9.667 1.00 24.53 C ATOM 621 CG ARG A 38 -1.713 -0.982 9.034 1.00 11.34 C ATOM 622 CD ARG A 38 -2.291 0.183 9.825 1.00 33.24 C ATOM 623 NE ARG A 38 -3.243 0.979 9.045 1.00 65.12 N ATOM 624 CZ ARG A 38 -3.902 2.032 9.533 1.00 52.54 C ATOM 625 NH1 ARG A 38 -3.789 2.348 10.819 1.00 12.41 N ATOM 626 NH2 ARG A 38 -4.682 2.766 8.748 1.00 14.21 N ATOM 0 H ARG A 38 -0.720 -2.870 7.120 1.00 52.12 H new ATOM 0 HA ARG A 38 1.158 -2.906 9.373 1.00 3.24 H new ATOM 0 HB2 ARG A 38 -0.604 -1.685 10.725 1.00 24.53 H new ATOM 0 HB3 ARG A 38 0.331 -0.709 9.609 1.00 24.53 H new ATOM 0 HG2 ARG A 38 -1.518 -0.668 8.009 1.00 11.34 H new ATOM 0 HG3 ARG A 38 -2.443 -1.790 8.986 1.00 11.34 H new ATOM 0 HD2 ARG A 38 -2.788 -0.199 10.716 1.00 33.24 H new ATOM 0 HD3 ARG A 38 -1.478 0.825 10.164 1.00 33.24 H new ATOM 0 HE ARG A 38 -3.411 0.713 8.075 1.00 65.12 H new ATOM 0 HH11 ARG A 38 -3.199 1.786 11.432 1.00 12.41 H new ATOM 0 HH12 ARG A 38 -4.292 3.153 11.193 1.00 12.41 H new ATOM 0 HH21 ARG A 38 -4.782 2.527 7.761 1.00 14.21 H new ATOM 0 HH22 ARG A 38 -5.181 3.569 9.132 1.00 14.21 H new ATOM 640 N LEU A 39 -0.226 -4.709 10.419 1.00 22.24 N ATOM 641 CA LEU A 39 -0.971 -5.848 10.941 1.00 42.32 C ATOM 642 C LEU A 39 -1.913 -5.406 12.052 1.00 62.13 C ATOM 643 O LEU A 39 -2.566 -6.229 12.695 1.00 23.55 O ATOM 644 CB LEU A 39 -0.020 -6.935 11.443 1.00 43.12 C ATOM 645 CG LEU A 39 0.190 -8.112 10.487 1.00 0.10 C ATOM 646 CD1 LEU A 39 -1.124 -8.841 10.244 1.00 23.53 C ATOM 647 CD2 LEU A 39 0.794 -7.642 9.172 1.00 2.41 C ATOM 0 H LEU A 39 0.671 -4.544 10.876 1.00 22.24 H new ATOM 0 HA LEU A 39 -1.567 -6.266 10.130 1.00 42.32 H new ATOM 0 HB2 LEU A 39 0.948 -6.480 11.651 1.00 43.12 H new ATOM 0 HB3 LEU A 39 -0.401 -7.320 12.389 1.00 43.12 H new ATOM 0 HG LEU A 39 0.890 -8.807 10.950 1.00 0.10 H new ATOM 0 HD11 LEU A 39 -0.957 -9.675 9.562 1.00 23.53 H new ATOM 0 HD12 LEU A 39 -1.511 -9.218 11.190 1.00 23.53 H new ATOM 0 HD13 LEU A 39 -1.846 -8.153 9.805 1.00 23.53 H new ATOM 0 HD21 LEU A 39 0.934 -8.496 8.510 1.00 2.41 H new ATOM 0 HD22 LEU A 39 0.124 -6.923 8.700 1.00 2.41 H new ATOM 0 HD23 LEU A 39 1.758 -7.169 9.363 1.00 2.41 H new ATOM 659 N ASN A 40 -1.961 -4.096 12.276 1.00 51.34 N ATOM 660 CA ASN A 40 -2.930 -3.503 13.185 1.00 40.51 C ATOM 661 C ASN A 40 -4.323 -3.675 12.589 1.00 12.02 C ATOM 662 O ASN A 40 -4.725 -2.933 11.688 1.00 45.45 O ATOM 663 CB ASN A 40 -2.610 -2.018 13.410 1.00 51.43 C ATOM 664 CG ASN A 40 -3.581 -1.336 14.360 1.00 72.30 C ATOM 665 OD1 ASN A 40 -4.607 -0.809 13.936 1.00 41.40 O ATOM 666 ND2 ASN A 40 -3.251 -1.314 15.643 1.00 53.34 N ATOM 0 H ASN A 40 -1.334 -3.423 11.836 1.00 51.34 H new ATOM 0 HA ASN A 40 -2.886 -4.001 14.154 1.00 40.51 H new ATOM 0 HB2 ASN A 40 -1.599 -1.926 13.806 1.00 51.43 H new ATOM 0 HB3 ASN A 40 -2.625 -1.500 12.451 1.00 51.43 H new ATOM 0 HD21 ASN A 40 -3.858 -0.848 16.318 1.00 53.34 H new ATOM 0 HD22 ASN A 40 -2.390 -1.763 15.956 1.00 53.34 H new ATOM 673 N SER A 41 -5.035 -4.685 13.060 1.00 14.32 N ATOM 674 CA SER A 41 -6.301 -5.060 12.466 1.00 53.44 C ATOM 675 C SER A 41 -7.429 -4.188 12.987 1.00 42.10 C ATOM 676 O SER A 41 -7.853 -4.312 14.137 1.00 43.53 O ATOM 677 CB SER A 41 -6.602 -6.535 12.740 1.00 11.40 C ATOM 678 OG SER A 41 -7.702 -6.987 11.963 1.00 34.43 O ATOM 0 H SER A 41 -4.754 -5.260 13.855 1.00 14.32 H new ATOM 0 HA SER A 41 -6.225 -4.909 11.389 1.00 53.44 H new ATOM 0 HB2 SER A 41 -5.722 -7.137 12.514 1.00 11.40 H new ATOM 0 HB3 SER A 41 -6.820 -6.674 13.799 1.00 11.40 H new ATOM 0 HG SER A 41 -7.872 -7.933 12.156 1.00 34.43 H new ATOM 684 N LEU A 42 -7.900 -3.297 12.132 1.00 72.21 N ATOM 685 CA LEU A 42 -9.037 -2.452 12.452 1.00 15.51 C ATOM 686 C LEU A 42 -10.294 -2.968 11.761 1.00 11.40 C ATOM 687 O LEU A 42 -11.379 -2.411 11.930 1.00 2.13 O ATOM 688 CB LEU A 42 -8.765 -1.009 12.017 1.00 54.23 C ATOM 689 CG LEU A 42 -7.607 -0.318 12.735 1.00 52.11 C ATOM 690 CD1 LEU A 42 -7.339 1.049 12.122 1.00 72.11 C ATOM 691 CD2 LEU A 42 -7.909 -0.186 14.220 1.00 34.00 C ATOM 0 H LEU A 42 -7.509 -3.139 11.203 1.00 72.21 H new ATOM 0 HA LEU A 42 -9.190 -2.477 13.531 1.00 15.51 H new ATOM 0 HB2 LEU A 42 -8.563 -1.002 10.946 1.00 54.23 H new ATOM 0 HB3 LEU A 42 -9.670 -0.423 12.175 1.00 54.23 H new ATOM 0 HG LEU A 42 -6.712 -0.929 12.616 1.00 52.11 H new ATOM 0 HD11 LEU A 42 -6.511 1.527 12.646 1.00 72.11 H new ATOM 0 HD12 LEU A 42 -7.083 0.932 11.069 1.00 72.11 H new ATOM 0 HD13 LEU A 42 -8.231 1.669 12.211 1.00 72.11 H new ATOM 0 HD21 LEU A 42 -7.075 0.308 14.718 1.00 34.00 H new ATOM 0 HD22 LEU A 42 -8.815 0.405 14.356 1.00 34.00 H new ATOM 0 HD23 LEU A 42 -8.054 -1.177 14.651 1.00 34.00 H new ATOM 703 N GLY A 43 -10.136 -4.037 10.981 1.00 70.33 N ATOM 704 CA GLY A 43 -11.243 -4.549 10.189 1.00 11.32 C ATOM 705 C GLY A 43 -11.739 -3.516 9.196 1.00 3.10 C ATOM 706 O GLY A 43 -12.937 -3.405 8.935 1.00 51.03 O ATOM 0 H GLY A 43 -9.263 -4.556 10.884 1.00 70.33 H new ATOM 0 HA2 GLY A 43 -10.926 -5.445 9.656 1.00 11.32 H new ATOM 0 HA3 GLY A 43 -12.059 -4.842 10.849 1.00 11.32 H new ATOM 710 N HIS A 44 -10.802 -2.768 8.637 1.00 2.42 N ATOM 711 CA HIS A 44 -11.118 -1.626 7.797 1.00 32.31 C ATOM 712 C HIS A 44 -10.383 -1.740 6.465 1.00 52.24 C ATOM 713 O HIS A 44 -9.281 -1.225 6.323 1.00 1.40 O ATOM 714 CB HIS A 44 -10.706 -0.340 8.533 1.00 32.14 C ATOM 715 CG HIS A 44 -11.073 0.943 7.844 1.00 22.34 C ATOM 716 ND1 HIS A 44 -10.600 1.512 6.711 1.00 11.02 N flip ATOM 717 CD2 HIS A 44 -11.992 1.829 8.356 1.00 53.24 C flip ATOM 718 CE1 HIS A 44 -11.233 2.721 6.560 1.00 15.25 C flip ATOM 719 NE2 HIS A 44 -12.070 2.885 7.568 1.00 31.21 N flip ATOM 0 H HIS A 44 -9.803 -2.935 8.753 1.00 2.42 H new ATOM 0 HA HIS A 44 -12.188 -1.599 7.594 1.00 32.31 H new ATOM 0 HB2 HIS A 44 -11.164 -0.345 9.522 1.00 32.14 H new ATOM 0 HB3 HIS A 44 -9.626 -0.357 8.682 1.00 32.14 H new ATOM 0 HD2 HIS A 44 -12.561 1.683 9.262 1.00 53.24 H new ATOM 0 HE1 HIS A 44 -11.073 3.420 5.753 1.00 15.25 H new ATOM 0 HE2 HIS A 44 -12.676 3.693 7.713 1.00 31.21 H new ATOM 728 N PRO A 45 -10.972 -2.433 5.482 1.00 74.24 N ATOM 729 CA PRO A 45 -10.348 -2.644 4.174 1.00 71.22 C ATOM 730 C PRO A 45 -10.403 -1.392 3.308 1.00 53.35 C ATOM 731 O PRO A 45 -11.448 -1.061 2.749 1.00 21.42 O ATOM 732 CB PRO A 45 -11.181 -3.769 3.538 1.00 63.14 C ATOM 733 CG PRO A 45 -12.162 -4.204 4.581 1.00 35.44 C ATOM 734 CD PRO A 45 -12.289 -3.067 5.550 1.00 54.14 C ATOM 0 HA PRO A 45 -9.290 -2.891 4.268 1.00 71.22 H new ATOM 0 HB2 PRO A 45 -11.695 -3.415 2.644 1.00 63.14 H new ATOM 0 HB3 PRO A 45 -10.544 -4.599 3.232 1.00 63.14 H new ATOM 0 HG2 PRO A 45 -13.127 -4.440 4.131 1.00 35.44 H new ATOM 0 HG3 PRO A 45 -11.817 -5.106 5.086 1.00 35.44 H new ATOM 0 HD2 PRO A 45 -13.084 -2.379 5.264 1.00 54.14 H new ATOM 0 HD3 PRO A 45 -12.518 -3.417 6.557 1.00 54.14 H new ATOM 742 N ARG A 46 -9.284 -0.686 3.219 1.00 44.22 N ATOM 743 CA ARG A 46 -9.205 0.539 2.429 1.00 33.34 C ATOM 744 C ARG A 46 -7.822 0.683 1.812 1.00 32.15 C ATOM 745 O ARG A 46 -6.831 0.198 2.362 1.00 44.21 O ATOM 746 CB ARG A 46 -9.497 1.766 3.298 1.00 42.20 C ATOM 747 CG ARG A 46 -10.719 2.574 2.871 1.00 73.23 C ATOM 748 CD ARG A 46 -12.014 1.822 3.129 1.00 53.24 C ATOM 749 NE ARG A 46 -13.192 2.686 3.038 1.00 75.23 N ATOM 750 CZ ARG A 46 -14.378 2.381 3.567 1.00 41.45 C ATOM 751 NH1 ARG A 46 -14.561 1.202 4.156 1.00 64.21 N ATOM 752 NH2 ARG A 46 -15.380 3.248 3.495 1.00 62.44 N ATOM 0 H ARG A 46 -8.414 -0.941 3.686 1.00 44.22 H new ATOM 0 HA ARG A 46 -9.952 0.475 1.638 1.00 33.34 H new ATOM 0 HB2 ARG A 46 -9.636 1.439 4.329 1.00 42.20 H new ATOM 0 HB3 ARG A 46 -8.624 2.419 3.286 1.00 42.20 H new ATOM 0 HG2 ARG A 46 -10.735 3.521 3.411 1.00 73.23 H new ATOM 0 HG3 ARG A 46 -10.643 2.813 1.810 1.00 73.23 H new ATOM 0 HD2 ARG A 46 -12.108 1.009 2.409 1.00 53.24 H new ATOM 0 HD3 ARG A 46 -11.976 1.368 4.119 1.00 53.24 H new ATOM 0 HE ARG A 46 -13.101 3.572 2.542 1.00 75.23 H new ATOM 0 HH11 ARG A 46 -13.794 0.531 4.203 1.00 64.21 H new ATOM 0 HH12 ARG A 46 -15.468 0.969 4.560 1.00 64.21 H new ATOM 0 HH21 ARG A 46 -15.244 4.148 3.035 1.00 62.44 H new ATOM 0 HH22 ARG A 46 -16.287 3.014 3.900 1.00 62.44 H new ATOM 766 N ILE A 47 -7.766 1.339 0.667 1.00 72.15 N ATOM 767 CA ILE A 47 -6.501 1.619 0.014 1.00 51.10 C ATOM 768 C ILE A 47 -6.270 3.129 -0.053 1.00 64.34 C ATOM 769 O ILE A 47 -6.944 3.849 -0.793 1.00 44.00 O ATOM 770 CB ILE A 47 -6.432 0.986 -1.402 1.00 15.24 C ATOM 771 CG1 ILE A 47 -5.116 1.359 -2.097 1.00 55.23 C ATOM 772 CG2 ILE A 47 -7.631 1.401 -2.247 1.00 2.52 C ATOM 773 CD1 ILE A 47 -4.939 0.719 -3.461 1.00 71.21 C ATOM 0 H ILE A 47 -8.585 1.689 0.169 1.00 72.15 H new ATOM 0 HA ILE A 47 -5.707 1.165 0.607 1.00 51.10 H new ATOM 0 HB ILE A 47 -6.463 -0.098 -1.290 1.00 15.24 H new ATOM 0 HG12 ILE A 47 -5.068 2.443 -2.206 1.00 55.23 H new ATOM 0 HG13 ILE A 47 -4.283 1.066 -1.458 1.00 55.23 H new ATOM 0 HG21 ILE A 47 -7.557 0.943 -3.233 1.00 2.52 H new ATOM 0 HG22 ILE A 47 -8.550 1.071 -1.762 1.00 2.52 H new ATOM 0 HG23 ILE A 47 -7.645 2.486 -2.351 1.00 2.52 H new ATOM 0 HD11 ILE A 47 -3.986 1.031 -3.888 1.00 71.21 H new ATOM 0 HD12 ILE A 47 -4.953 -0.366 -3.358 1.00 71.21 H new ATOM 0 HD13 ILE A 47 -5.751 1.032 -4.118 1.00 71.21 H new ATOM 785 N GLY A 48 -5.337 3.607 0.752 1.00 12.34 N ATOM 786 CA GLY A 48 -5.050 5.023 0.799 1.00 50.45 C ATOM 787 C GLY A 48 -3.914 5.409 -0.123 1.00 42.13 C ATOM 788 O GLY A 48 -2.747 5.372 0.269 1.00 3.24 O ATOM 0 H GLY A 48 -4.770 3.035 1.378 1.00 12.34 H new ATOM 0 HA2 GLY A 48 -5.944 5.582 0.524 1.00 50.45 H new ATOM 0 HA3 GLY A 48 -4.798 5.307 1.821 1.00 50.45 H new ATOM 792 N LEU A 49 -4.251 5.772 -1.353 1.00 2.03 N ATOM 793 CA LEU A 49 -3.250 6.163 -2.332 1.00 2.32 C ATOM 794 C LEU A 49 -2.695 7.537 -1.986 1.00 24.52 C ATOM 795 O LEU A 49 -3.397 8.545 -2.081 1.00 63.32 O ATOM 796 CB LEU A 49 -3.845 6.169 -3.746 1.00 12.22 C ATOM 797 CG LEU A 49 -2.866 6.533 -4.865 1.00 54.41 C ATOM 798 CD1 LEU A 49 -1.729 5.523 -4.930 1.00 72.10 C ATOM 799 CD2 LEU A 49 -3.591 6.612 -6.201 1.00 71.21 C ATOM 0 H LEU A 49 -5.211 5.803 -1.695 1.00 2.03 H new ATOM 0 HA LEU A 49 -2.438 5.436 -2.308 1.00 2.32 H new ATOM 0 HB2 LEU A 49 -4.257 5.182 -3.953 1.00 12.22 H new ATOM 0 HB3 LEU A 49 -4.677 6.873 -3.770 1.00 12.22 H new ATOM 0 HG LEU A 49 -2.441 7.512 -4.647 1.00 54.41 H new ATOM 0 HD11 LEU A 49 -1.043 5.798 -5.731 1.00 72.10 H new ATOM 0 HD12 LEU A 49 -1.194 5.516 -3.981 1.00 72.10 H new ATOM 0 HD13 LEU A 49 -2.135 4.530 -5.125 1.00 72.10 H new ATOM 0 HD21 LEU A 49 -2.880 6.872 -6.986 1.00 71.21 H new ATOM 0 HD22 LEU A 49 -4.044 5.647 -6.427 1.00 71.21 H new ATOM 0 HD23 LEU A 49 -4.368 7.374 -6.149 1.00 71.21 H new ATOM 811 N THR A 50 -1.444 7.566 -1.572 1.00 31.03 N ATOM 812 CA THR A 50 -0.791 8.805 -1.210 1.00 61.22 C ATOM 813 C THR A 50 0.242 9.174 -2.267 1.00 61.30 C ATOM 814 O THR A 50 1.311 8.567 -2.351 1.00 20.22 O ATOM 815 CB THR A 50 -0.112 8.692 0.167 1.00 2.32 C ATOM 816 OG1 THR A 50 -1.051 8.180 1.123 1.00 73.34 O ATOM 817 CG2 THR A 50 0.409 10.047 0.635 1.00 4.41 C ATOM 0 H THR A 50 -0.856 6.738 -1.478 1.00 31.03 H new ATOM 0 HA THR A 50 -1.549 9.586 -1.154 1.00 61.22 H new ATOM 0 HB THR A 50 0.735 8.012 0.078 1.00 2.32 H new ATOM 0 HG1 THR A 50 -0.748 8.399 2.029 1.00 73.34 H new ATOM 0 HG21 THR A 50 0.884 9.937 1.610 1.00 4.41 H new ATOM 0 HG22 THR A 50 1.137 10.424 -0.083 1.00 4.41 H new ATOM 0 HG23 THR A 50 -0.421 10.749 0.713 1.00 4.41 H new ATOM 825 N VAL A 51 -0.096 10.152 -3.092 1.00 43.23 N ATOM 826 CA VAL A 51 0.791 10.587 -4.154 1.00 35.32 C ATOM 827 C VAL A 51 1.042 12.086 -4.044 1.00 34.01 C ATOM 828 O VAL A 51 0.124 12.863 -3.766 1.00 32.23 O ATOM 829 CB VAL A 51 0.221 10.228 -5.552 1.00 34.51 C ATOM 830 CG1 VAL A 51 -1.137 10.883 -5.779 1.00 34.23 C ATOM 831 CG2 VAL A 51 1.204 10.610 -6.653 1.00 41.33 C ATOM 0 H VAL A 51 -0.980 10.659 -3.045 1.00 43.23 H new ATOM 0 HA VAL A 51 1.739 10.060 -4.042 1.00 35.32 H new ATOM 0 HB VAL A 51 0.077 9.148 -5.587 1.00 34.51 H new ATOM 0 HG11 VAL A 51 -1.511 10.613 -6.767 1.00 34.23 H new ATOM 0 HG12 VAL A 51 -1.839 10.539 -5.019 1.00 34.23 H new ATOM 0 HG13 VAL A 51 -1.034 11.966 -5.714 1.00 34.23 H new ATOM 0 HG21 VAL A 51 0.783 10.349 -7.624 1.00 41.33 H new ATOM 0 HG22 VAL A 51 1.393 11.683 -6.616 1.00 41.33 H new ATOM 0 HG23 VAL A 51 2.141 10.072 -6.507 1.00 41.33 H new ATOM 841 N ALA A 52 2.289 12.480 -4.223 1.00 44.34 N ATOM 842 CA ALA A 52 2.659 13.879 -4.191 1.00 63.24 C ATOM 843 C ALA A 52 3.052 14.326 -5.584 1.00 5.43 C ATOM 844 O ALA A 52 3.610 13.545 -6.353 1.00 72.14 O ATOM 845 CB ALA A 52 3.795 14.108 -3.208 1.00 3.21 C ATOM 0 H ALA A 52 3.067 11.843 -4.393 1.00 44.34 H new ATOM 0 HA ALA A 52 1.806 14.470 -3.856 1.00 63.24 H new ATOM 0 HB1 ALA A 52 4.060 15.165 -3.198 1.00 3.21 H new ATOM 0 HB2 ALA A 52 3.480 13.803 -2.210 1.00 3.21 H new ATOM 0 HB3 ALA A 52 4.662 13.520 -3.510 1.00 3.21 H new ATOM 851 N LYS A 53 2.764 15.575 -5.914 1.00 44.23 N ATOM 852 CA LYS A 53 3.013 16.082 -7.256 1.00 45.42 C ATOM 853 C LYS A 53 4.502 16.367 -7.484 1.00 65.24 C ATOM 854 O LYS A 53 4.913 17.503 -7.726 1.00 34.03 O ATOM 855 CB LYS A 53 2.151 17.326 -7.537 1.00 21.51 C ATOM 856 CG LYS A 53 2.303 18.442 -6.518 1.00 61.11 C ATOM 857 CD LYS A 53 2.877 19.691 -7.158 1.00 42.23 C ATOM 858 CE LYS A 53 3.191 20.759 -6.128 1.00 52.32 C ATOM 859 NZ LYS A 53 3.901 21.911 -6.737 1.00 3.32 N ATOM 0 H LYS A 53 2.358 16.256 -5.273 1.00 44.23 H new ATOM 0 HA LYS A 53 2.724 15.306 -7.965 1.00 45.42 H new ATOM 0 HB2 LYS A 53 2.407 17.714 -8.523 1.00 21.51 H new ATOM 0 HB3 LYS A 53 1.104 17.026 -7.574 1.00 21.51 H new ATOM 0 HG2 LYS A 53 1.333 18.669 -6.076 1.00 61.11 H new ATOM 0 HG3 LYS A 53 2.954 18.113 -5.708 1.00 61.11 H new ATOM 0 HD2 LYS A 53 3.785 19.435 -7.704 1.00 42.23 H new ATOM 0 HD3 LYS A 53 2.168 20.085 -7.886 1.00 42.23 H new ATOM 0 HE2 LYS A 53 2.266 21.104 -5.666 1.00 52.32 H new ATOM 0 HE3 LYS A 53 3.803 20.331 -5.334 1.00 52.32 H new ATOM 0 HZ1 LYS A 53 4.100 22.622 -6.005 1.00 3.32 H new ATOM 0 HZ2 LYS A 53 4.795 21.585 -7.156 1.00 3.32 H new ATOM 0 HZ3 LYS A 53 3.306 22.334 -7.478 1.00 3.32 H new ATOM 873 N LYS A 54 5.311 15.322 -7.390 1.00 34.32 N ATOM 874 CA LYS A 54 6.731 15.415 -7.701 1.00 53.32 C ATOM 875 C LYS A 54 7.134 14.297 -8.657 1.00 42.44 C ATOM 876 O LYS A 54 7.960 14.496 -9.548 1.00 11.23 O ATOM 877 CB LYS A 54 7.590 15.356 -6.432 1.00 71.30 C ATOM 878 CG LYS A 54 7.397 14.091 -5.607 1.00 51.33 C ATOM 879 CD LYS A 54 8.671 13.717 -4.858 1.00 41.24 C ATOM 880 CE LYS A 54 9.083 14.782 -3.851 1.00 42.33 C ATOM 881 NZ LYS A 54 8.143 14.862 -2.702 1.00 4.25 N ATOM 0 H LYS A 54 5.006 14.393 -7.099 1.00 34.32 H new ATOM 0 HA LYS A 54 6.905 16.379 -8.179 1.00 53.32 H new ATOM 0 HB2 LYS A 54 8.640 15.436 -6.713 1.00 71.30 H new ATOM 0 HB3 LYS A 54 7.359 16.221 -5.810 1.00 71.30 H new ATOM 0 HG2 LYS A 54 6.585 14.239 -4.895 1.00 51.33 H new ATOM 0 HG3 LYS A 54 7.103 13.270 -6.260 1.00 51.33 H new ATOM 0 HD2 LYS A 54 8.521 12.770 -4.340 1.00 41.24 H new ATOM 0 HD3 LYS A 54 9.479 13.565 -5.574 1.00 41.24 H new ATOM 0 HE2 LYS A 54 10.086 14.564 -3.483 1.00 42.33 H new ATOM 0 HE3 LYS A 54 9.130 15.751 -4.348 1.00 42.33 H new ATOM 0 HZ1 LYS A 54 8.507 15.539 -2.002 1.00 4.25 H new ATOM 0 HZ2 LYS A 54 7.211 15.179 -3.037 1.00 4.25 H new ATOM 0 HZ3 LYS A 54 8.052 13.924 -2.262 1.00 4.25 H new ATOM 895 N ASN A 55 6.538 13.122 -8.470 1.00 73.31 N ATOM 896 CA ASN A 55 6.799 11.982 -9.341 1.00 45.32 C ATOM 897 C ASN A 55 5.815 11.989 -10.504 1.00 64.40 C ATOM 898 O ASN A 55 6.155 11.616 -11.625 1.00 45.43 O ATOM 899 CB ASN A 55 6.701 10.653 -8.567 1.00 32.44 C ATOM 900 CG ASN A 55 5.332 10.417 -7.944 1.00 44.32 C ATOM 901 OD1 ASN A 55 4.642 11.356 -7.562 1.00 72.33 O ATOM 902 ND2 ASN A 55 4.927 9.163 -7.844 1.00 54.13 N ATOM 0 H ASN A 55 5.870 12.936 -7.722 1.00 73.31 H new ATOM 0 HA ASN A 55 7.815 12.069 -9.725 1.00 45.32 H new ATOM 0 HB2 ASN A 55 6.932 9.829 -9.243 1.00 32.44 H new ATOM 0 HB3 ASN A 55 7.457 10.642 -7.781 1.00 32.44 H new ATOM 0 HD21 ASN A 55 4.015 8.952 -7.439 1.00 54.13 H new ATOM 0 HD22 ASN A 55 5.527 8.406 -8.172 1.00 54.13 H new ATOM 909 N VAL A 56 4.591 12.415 -10.221 1.00 53.13 N ATOM 910 CA VAL A 56 3.573 12.567 -11.244 1.00 61.25 C ATOM 911 C VAL A 56 3.159 14.031 -11.342 1.00 62.54 C ATOM 912 O VAL A 56 2.254 14.480 -10.640 1.00 52.11 O ATOM 913 CB VAL A 56 2.326 11.698 -10.952 1.00 24.34 C ATOM 914 CG1 VAL A 56 1.313 11.800 -12.083 1.00 35.24 C ATOM 915 CG2 VAL A 56 2.719 10.247 -10.721 1.00 65.52 C ATOM 0 H VAL A 56 4.280 12.663 -9.282 1.00 53.13 H new ATOM 0 HA VAL A 56 4.001 12.232 -12.189 1.00 61.25 H new ATOM 0 HB VAL A 56 1.861 12.078 -10.042 1.00 24.34 H new ATOM 0 HG11 VAL A 56 0.447 11.180 -11.853 1.00 35.24 H new ATOM 0 HG12 VAL A 56 0.997 12.837 -12.196 1.00 35.24 H new ATOM 0 HG13 VAL A 56 1.769 11.456 -13.012 1.00 35.24 H new ATOM 0 HG21 VAL A 56 1.826 9.656 -10.518 1.00 65.52 H new ATOM 0 HG22 VAL A 56 3.216 9.859 -11.610 1.00 65.52 H new ATOM 0 HG23 VAL A 56 3.397 10.185 -9.870 1.00 65.52 H new ATOM 925 N ARG A 57 3.853 14.784 -12.179 1.00 40.03 N ATOM 926 CA ARG A 57 3.531 16.188 -12.363 1.00 73.13 C ATOM 927 C ARG A 57 2.896 16.411 -13.727 1.00 35.22 C ATOM 928 O ARG A 57 3.537 16.906 -14.657 1.00 75.34 O ATOM 929 CB ARG A 57 4.771 17.071 -12.198 1.00 74.20 C ATOM 930 CG ARG A 57 5.454 16.912 -10.849 1.00 53.21 C ATOM 931 CD ARG A 57 6.371 18.086 -10.541 1.00 32.33 C ATOM 932 NE ARG A 57 7.421 18.253 -11.542 1.00 3.52 N ATOM 933 CZ ARG A 57 7.577 19.348 -12.280 1.00 43.43 C ATOM 934 NH1 ARG A 57 6.738 20.368 -12.142 1.00 70.42 N ATOM 935 NH2 ARG A 57 8.570 19.412 -13.157 1.00 21.11 N ATOM 0 H ARG A 57 4.638 14.449 -12.738 1.00 40.03 H new ATOM 0 HA ARG A 57 2.815 16.472 -11.591 1.00 73.13 H new ATOM 0 HB2 ARG A 57 5.484 16.833 -12.987 1.00 74.20 H new ATOM 0 HB3 ARG A 57 4.485 18.114 -12.331 1.00 74.20 H new ATOM 0 HG2 ARG A 57 4.700 16.825 -10.067 1.00 53.21 H new ATOM 0 HG3 ARG A 57 6.031 15.987 -10.840 1.00 53.21 H new ATOM 0 HD2 ARG A 57 5.779 19.000 -10.484 1.00 32.33 H new ATOM 0 HD3 ARG A 57 6.827 17.940 -9.562 1.00 32.33 H new ATOM 0 HE ARG A 57 8.075 17.483 -11.684 1.00 3.52 H new ATOM 0 HH11 ARG A 57 5.973 20.312 -11.469 1.00 70.42 H new ATOM 0 HH12 ARG A 57 6.858 21.208 -12.709 1.00 70.42 H new ATOM 0 HH21 ARG A 57 9.209 18.624 -13.262 1.00 21.11 H new ATOM 0 HH22 ARG A 57 8.695 20.249 -13.726 1.00 21.11 H new ATOM 949 N ARG A 58 1.638 16.011 -13.840 1.00 50.03 N ATOM 950 CA ARG A 58 0.893 16.140 -15.080 1.00 31.02 C ATOM 951 C ARG A 58 -0.605 16.044 -14.775 1.00 62.33 C ATOM 952 O ARG A 58 -1.032 16.422 -13.684 1.00 12.04 O ATOM 953 CB ARG A 58 1.335 15.055 -16.066 1.00 24.35 C ATOM 954 CG ARG A 58 1.111 15.411 -17.533 1.00 34.32 C ATOM 955 CD ARG A 58 1.990 16.571 -17.978 1.00 64.41 C ATOM 956 NE ARG A 58 1.501 17.867 -17.503 1.00 1.21 N ATOM 957 CZ ARG A 58 2.239 18.975 -17.470 1.00 20.25 C ATOM 958 NH1 ARG A 58 3.522 18.933 -17.803 1.00 10.21 N ATOM 959 NH2 ARG A 58 1.691 20.122 -17.081 1.00 12.24 N ATOM 0 H ARG A 58 1.108 15.590 -13.077 1.00 50.03 H new ATOM 0 HA ARG A 58 1.091 17.108 -15.540 1.00 31.02 H new ATOM 0 HB2 ARG A 58 2.394 14.850 -15.912 1.00 24.35 H new ATOM 0 HB3 ARG A 58 0.796 14.135 -15.841 1.00 24.35 H new ATOM 0 HG2 ARG A 58 1.319 14.539 -18.154 1.00 34.32 H new ATOM 0 HG3 ARG A 58 0.063 15.670 -17.688 1.00 34.32 H new ATOM 0 HD2 ARG A 58 3.004 16.414 -17.612 1.00 64.41 H new ATOM 0 HD3 ARG A 58 2.043 16.584 -19.067 1.00 64.41 H new ATOM 0 HE ARG A 58 0.536 17.925 -17.177 1.00 1.21 H new ATOM 0 HH11 ARG A 58 3.947 18.050 -18.086 1.00 10.21 H new ATOM 0 HH12 ARG A 58 4.084 19.784 -17.776 1.00 10.21 H new ATOM 0 HH21 ARG A 58 0.708 20.151 -16.809 1.00 12.24 H new ATOM 0 HH22 ARG A 58 2.253 20.973 -17.054 1.00 12.24 H new ATOM 973 N ALA A 59 -1.401 15.529 -15.708 1.00 2.31 N ATOM 974 CA ALA A 59 -2.853 15.542 -15.546 1.00 24.21 C ATOM 975 C ALA A 59 -3.492 14.198 -15.891 1.00 24.12 C ATOM 976 O ALA A 59 -4.307 13.679 -15.130 1.00 64.52 O ATOM 977 CB ALA A 59 -3.463 16.642 -16.403 1.00 60.11 C ATOM 0 H ALA A 59 -1.071 15.102 -16.574 1.00 2.31 H new ATOM 0 HA ALA A 59 -3.057 15.736 -14.493 1.00 24.21 H new ATOM 0 HB1 ALA A 59 -4.546 16.644 -16.276 1.00 60.11 H new ATOM 0 HB2 ALA A 59 -3.060 17.607 -16.097 1.00 60.11 H new ATOM 0 HB3 ALA A 59 -3.221 16.463 -17.451 1.00 60.11 H new ATOM 983 N HIS A 60 -3.110 13.630 -17.028 1.00 63.43 N ATOM 984 CA HIS A 60 -3.770 12.428 -17.549 1.00 52.42 C ATOM 985 C HIS A 60 -3.458 11.222 -16.672 1.00 1.32 C ATOM 986 O HIS A 60 -4.269 10.306 -16.529 1.00 41.33 O ATOM 987 CB HIS A 60 -3.312 12.142 -18.984 1.00 75.01 C ATOM 988 CG HIS A 60 -3.402 13.319 -19.906 1.00 52.12 C ATOM 989 ND1 HIS A 60 -2.296 13.912 -20.473 1.00 21.21 N ATOM 990 CD2 HIS A 60 -4.471 14.008 -20.369 1.00 73.00 C ATOM 991 CE1 HIS A 60 -2.681 14.913 -21.240 1.00 12.53 C ATOM 992 NE2 HIS A 60 -3.994 14.993 -21.196 1.00 45.51 N ATOM 0 H HIS A 60 -2.348 13.978 -17.610 1.00 63.43 H new ATOM 0 HA HIS A 60 -4.845 12.607 -17.543 1.00 52.42 H new ATOM 0 HB2 HIS A 60 -2.280 11.792 -18.961 1.00 75.01 H new ATOM 0 HB3 HIS A 60 -3.915 11.330 -19.390 1.00 75.01 H new ATOM 0 HD2 HIS A 60 -5.507 13.818 -20.131 1.00 73.00 H new ATOM 0 HE1 HIS A 60 -2.029 15.559 -21.809 1.00 12.53 H new ATOM 0 HE2 HIS A 60 -4.564 15.676 -21.695 1.00 45.51 H new ATOM 1001 N GLU A 61 -2.281 11.252 -16.077 1.00 0.12 N ATOM 1002 CA GLU A 61 -1.757 10.144 -15.299 1.00 24.03 C ATOM 1003 C GLU A 61 -2.499 9.991 -13.972 1.00 2.12 C ATOM 1004 O GLU A 61 -2.415 8.947 -13.324 1.00 53.52 O ATOM 1005 CB GLU A 61 -0.258 10.359 -15.046 1.00 41.45 C ATOM 1006 CG GLU A 61 0.605 10.375 -16.310 1.00 75.15 C ATOM 1007 CD GLU A 61 0.249 11.493 -17.282 1.00 23.50 C ATOM 1008 OE1 GLU A 61 -0.157 12.585 -16.826 1.00 63.14 O ATOM 1009 OE2 GLU A 61 0.347 11.272 -18.504 1.00 50.42 O ATOM 0 H GLU A 61 -1.654 12.055 -16.120 1.00 0.12 H new ATOM 0 HA GLU A 61 -1.905 9.226 -15.867 1.00 24.03 H new ATOM 0 HB2 GLU A 61 -0.124 11.303 -14.518 1.00 41.45 H new ATOM 0 HB3 GLU A 61 0.103 9.570 -14.386 1.00 41.45 H new ATOM 0 HG2 GLU A 61 1.652 10.475 -16.023 1.00 75.15 H new ATOM 0 HG3 GLU A 61 0.504 9.417 -16.820 1.00 75.15 H new ATOM 1016 N ARG A 62 -3.238 11.030 -13.583 1.00 33.03 N ATOM 1017 CA ARG A 62 -3.981 11.022 -12.324 1.00 54.31 C ATOM 1018 C ARG A 62 -4.994 9.878 -12.305 1.00 20.02 C ATOM 1019 O ARG A 62 -5.142 9.176 -11.304 1.00 4.12 O ATOM 1020 CB ARG A 62 -4.701 12.359 -12.124 1.00 72.53 C ATOM 1021 CG ARG A 62 -5.348 12.507 -10.755 1.00 4.14 C ATOM 1022 CD ARG A 62 -6.156 13.792 -10.646 1.00 1.31 C ATOM 1023 NE ARG A 62 -5.343 14.985 -10.889 1.00 53.41 N ATOM 1024 CZ ARG A 62 -5.836 16.221 -10.981 1.00 24.42 C ATOM 1025 NH1 ARG A 62 -7.134 16.444 -10.817 1.00 65.24 N ATOM 1026 NH2 ARG A 62 -5.027 17.238 -11.222 1.00 21.00 N ATOM 0 H ARG A 62 -3.338 11.889 -14.123 1.00 33.03 H new ATOM 0 HA ARG A 62 -3.272 10.875 -11.509 1.00 54.31 H new ATOM 0 HB2 ARG A 62 -3.988 13.171 -12.269 1.00 72.53 H new ATOM 0 HB3 ARG A 62 -5.467 12.467 -12.892 1.00 72.53 H new ATOM 0 HG2 ARG A 62 -5.998 11.652 -10.566 1.00 4.14 H new ATOM 0 HG3 ARG A 62 -4.576 12.497 -9.985 1.00 4.14 H new ATOM 0 HD2 ARG A 62 -6.977 13.763 -11.362 1.00 1.31 H new ATOM 0 HD3 ARG A 62 -6.601 13.855 -9.653 1.00 1.31 H new ATOM 0 HE ARG A 62 -4.336 14.863 -10.995 1.00 53.41 H new ATOM 0 HH11 ARG A 62 -7.764 15.667 -10.619 1.00 65.24 H new ATOM 0 HH12 ARG A 62 -7.502 17.393 -10.889 1.00 65.24 H new ATOM 0 HH21 ARG A 62 -4.026 17.077 -11.338 1.00 21.00 H new ATOM 0 HH22 ARG A 62 -5.403 18.183 -11.293 1.00 21.00 H new ATOM 1040 N ASN A 63 -5.678 9.692 -13.428 1.00 30.22 N ATOM 1041 CA ASN A 63 -6.676 8.636 -13.555 1.00 72.24 C ATOM 1042 C ASN A 63 -5.994 7.279 -13.722 1.00 5.14 C ATOM 1043 O ASN A 63 -6.470 6.262 -13.216 1.00 64.12 O ATOM 1044 CB ASN A 63 -7.594 8.927 -14.749 1.00 61.02 C ATOM 1045 CG ASN A 63 -8.692 7.893 -14.929 1.00 63.12 C ATOM 1046 OD1 ASN A 63 -9.145 7.270 -13.970 1.00 74.43 O ATOM 1047 ND2 ASN A 63 -9.139 7.718 -16.163 1.00 51.22 N ATOM 0 H ASN A 63 -5.559 10.261 -14.266 1.00 30.22 H new ATOM 0 HA ASN A 63 -7.279 8.607 -12.648 1.00 72.24 H new ATOM 0 HB2 ASN A 63 -8.048 9.909 -14.619 1.00 61.02 H new ATOM 0 HB3 ASN A 63 -6.994 8.971 -15.658 1.00 61.02 H new ATOM 0 HD21 ASN A 63 -9.885 7.047 -16.345 1.00 51.22 H new ATOM 0 HD22 ASN A 63 -8.737 8.254 -16.932 1.00 51.22 H new ATOM 1054 N ARG A 64 -4.853 7.287 -14.406 1.00 54.13 N ATOM 1055 CA ARG A 64 -4.098 6.066 -14.681 1.00 43.25 C ATOM 1056 C ARG A 64 -3.704 5.350 -13.390 1.00 45.03 C ATOM 1057 O ARG A 64 -3.961 4.155 -13.229 1.00 14.42 O ATOM 1058 CB ARG A 64 -2.840 6.394 -15.496 1.00 5.35 C ATOM 1059 CG ARG A 64 -3.128 6.866 -16.912 1.00 15.44 C ATOM 1060 CD ARG A 64 -1.854 7.294 -17.628 1.00 62.21 C ATOM 1061 NE ARG A 64 -2.066 7.477 -19.064 1.00 72.01 N ATOM 1062 CZ ARG A 64 -1.154 7.978 -19.901 1.00 45.21 C ATOM 1063 NH1 ARG A 64 -0.002 8.444 -19.438 1.00 33.51 N ATOM 1064 NH2 ARG A 64 -1.411 8.026 -21.203 1.00 44.20 N ATOM 0 H ARG A 64 -4.427 8.134 -14.783 1.00 54.13 H new ATOM 0 HA ARG A 64 -4.741 5.400 -15.256 1.00 43.25 H new ATOM 0 HB2 ARG A 64 -2.273 7.165 -14.975 1.00 5.35 H new ATOM 0 HB3 ARG A 64 -2.207 5.508 -15.541 1.00 5.35 H new ATOM 0 HG2 ARG A 64 -3.610 6.065 -17.473 1.00 15.44 H new ATOM 0 HG3 ARG A 64 -3.828 7.701 -16.883 1.00 15.44 H new ATOM 0 HD2 ARG A 64 -1.490 8.225 -17.194 1.00 62.21 H new ATOM 0 HD3 ARG A 64 -1.079 6.544 -17.469 1.00 62.21 H new ATOM 0 HE ARG A 64 -2.969 7.204 -19.451 1.00 72.01 H new ATOM 0 HH11 ARG A 64 0.192 8.421 -18.437 1.00 33.51 H new ATOM 0 HH12 ARG A 64 0.690 8.825 -20.083 1.00 33.51 H new ATOM 0 HH21 ARG A 64 -2.302 7.681 -21.560 1.00 44.20 H new ATOM 0 HH22 ARG A 64 -0.717 8.408 -21.846 1.00 44.20 H new ATOM 1078 N ILE A 65 -3.094 6.093 -12.473 1.00 12.10 N ATOM 1079 CA ILE A 65 -2.598 5.522 -11.226 1.00 54.52 C ATOM 1080 C ILE A 65 -3.749 5.014 -10.357 1.00 44.22 C ATOM 1081 O ILE A 65 -3.657 3.948 -9.739 1.00 71.11 O ATOM 1082 CB ILE A 65 -1.767 6.552 -10.424 1.00 23.13 C ATOM 1083 CG1 ILE A 65 -0.632 7.113 -11.287 1.00 62.53 C ATOM 1084 CG2 ILE A 65 -1.208 5.925 -9.153 1.00 61.24 C ATOM 1085 CD1 ILE A 65 0.306 6.057 -11.839 1.00 30.44 C ATOM 0 H ILE A 65 -2.931 7.095 -12.570 1.00 12.10 H new ATOM 0 HA ILE A 65 -1.955 4.684 -11.494 1.00 54.52 H new ATOM 0 HB ILE A 65 -2.425 7.372 -10.139 1.00 23.13 H new ATOM 0 HG12 ILE A 65 -1.064 7.671 -12.118 1.00 62.53 H new ATOM 0 HG13 ILE A 65 -0.055 7.822 -10.693 1.00 62.53 H new ATOM 0 HG21 ILE A 65 -0.628 6.668 -8.606 1.00 61.24 H new ATOM 0 HG22 ILE A 65 -2.030 5.574 -8.528 1.00 61.24 H new ATOM 0 HG23 ILE A 65 -0.566 5.084 -9.414 1.00 61.24 H new ATOM 0 HD11 ILE A 65 1.081 6.536 -12.438 1.00 30.44 H new ATOM 0 HD12 ILE A 65 0.768 5.514 -11.015 1.00 30.44 H new ATOM 0 HD13 ILE A 65 -0.256 5.361 -12.462 1.00 30.44 H new ATOM 1097 N LYS A 66 -4.843 5.768 -10.327 1.00 24.21 N ATOM 1098 CA LYS A 66 -5.983 5.412 -9.494 1.00 50.14 C ATOM 1099 C LYS A 66 -6.695 4.170 -10.015 1.00 54.03 C ATOM 1100 O LYS A 66 -7.170 3.351 -9.230 1.00 32.12 O ATOM 1101 CB LYS A 66 -6.963 6.581 -9.375 1.00 62.01 C ATOM 1102 CG LYS A 66 -6.458 7.693 -8.471 1.00 64.45 C ATOM 1103 CD LYS A 66 -7.510 8.769 -8.268 1.00 3.11 C ATOM 1104 CE LYS A 66 -7.060 9.809 -7.250 1.00 74.35 C ATOM 1105 NZ LYS A 66 -6.805 9.208 -5.914 1.00 32.25 N ATOM 0 H LYS A 66 -4.963 6.625 -10.867 1.00 24.21 H new ATOM 0 HA LYS A 66 -5.597 5.182 -8.501 1.00 50.14 H new ATOM 0 HB2 LYS A 66 -7.156 6.988 -10.368 1.00 62.01 H new ATOM 0 HB3 LYS A 66 -7.914 6.212 -8.991 1.00 62.01 H new ATOM 0 HG2 LYS A 66 -6.172 7.276 -7.505 1.00 64.45 H new ATOM 0 HG3 LYS A 66 -5.562 8.137 -8.905 1.00 64.45 H new ATOM 0 HD2 LYS A 66 -7.720 9.258 -9.220 1.00 3.11 H new ATOM 0 HD3 LYS A 66 -8.440 8.310 -7.933 1.00 3.11 H new ATOM 0 HE2 LYS A 66 -6.153 10.297 -7.607 1.00 74.35 H new ATOM 0 HE3 LYS A 66 -7.823 10.582 -7.160 1.00 74.35 H new ATOM 0 HZ1 LYS A 66 -7.050 9.895 -5.172 1.00 32.25 H new ATOM 0 HZ2 LYS A 66 -7.387 8.354 -5.801 1.00 32.25 H new ATOM 0 HZ3 LYS A 66 -5.800 8.955 -5.833 1.00 32.25 H new ATOM 1119 N ARG A 67 -6.769 4.019 -11.331 1.00 13.41 N ATOM 1120 CA ARG A 67 -7.413 2.849 -11.911 1.00 73.43 C ATOM 1121 C ARG A 67 -6.655 1.573 -11.568 1.00 15.41 C ATOM 1122 O ARG A 67 -7.258 0.589 -11.134 1.00 34.32 O ATOM 1123 CB ARG A 67 -7.557 2.979 -13.427 1.00 0.21 C ATOM 1124 CG ARG A 67 -8.800 3.739 -13.851 1.00 31.13 C ATOM 1125 CD ARG A 67 -9.311 3.241 -15.193 1.00 1.32 C ATOM 1126 NE ARG A 67 -9.536 1.792 -15.170 1.00 23.34 N ATOM 1127 CZ ARG A 67 -10.425 1.153 -15.930 1.00 61.21 C ATOM 1128 NH1 ARG A 67 -11.215 1.831 -16.752 1.00 12.55 N ATOM 1129 NH2 ARG A 67 -10.537 -0.169 -15.852 1.00 1.23 N ATOM 0 H ARG A 67 -6.396 4.683 -12.009 1.00 13.41 H new ATOM 0 HA ARG A 67 -8.411 2.789 -11.476 1.00 73.43 H new ATOM 0 HB2 ARG A 67 -6.677 3.484 -13.826 1.00 0.21 H new ATOM 0 HB3 ARG A 67 -7.581 1.983 -13.869 1.00 0.21 H new ATOM 0 HG2 ARG A 67 -9.577 3.622 -13.096 1.00 31.13 H new ATOM 0 HG3 ARG A 67 -8.575 4.804 -13.916 1.00 31.13 H new ATOM 0 HD2 ARG A 67 -10.241 3.752 -15.444 1.00 1.32 H new ATOM 0 HD3 ARG A 67 -8.591 3.488 -15.973 1.00 1.32 H new ATOM 0 HE ARG A 67 -8.973 1.234 -14.528 1.00 23.34 H new ATOM 0 HH11 ARG A 67 -11.144 2.847 -16.805 1.00 12.55 H new ATOM 0 HH12 ARG A 67 -11.893 1.336 -17.331 1.00 12.55 H new ATOM 0 HH21 ARG A 67 -9.943 -0.694 -15.211 1.00 1.23 H new ATOM 0 HH22 ARG A 67 -11.217 -0.658 -16.433 1.00 1.23 H new ATOM 1143 N LEU A 68 -5.340 1.603 -11.738 1.00 73.45 N ATOM 1144 CA LEU A 68 -4.506 0.423 -11.516 1.00 1.12 C ATOM 1145 C LEU A 68 -4.590 -0.031 -10.055 1.00 5.02 C ATOM 1146 O LEU A 68 -4.813 -1.210 -9.773 1.00 40.40 O ATOM 1147 CB LEU A 68 -3.051 0.733 -11.916 1.00 22.24 C ATOM 1148 CG LEU A 68 -2.099 -0.472 -12.059 1.00 32.33 C ATOM 1149 CD1 LEU A 68 -1.640 -0.994 -10.704 1.00 53.44 C ATOM 1150 CD2 LEU A 68 -2.761 -1.586 -12.862 1.00 20.42 C ATOM 0 H LEU A 68 -4.824 2.433 -12.030 1.00 73.45 H new ATOM 0 HA LEU A 68 -4.872 -0.394 -12.138 1.00 1.12 H new ATOM 0 HB2 LEU A 68 -3.066 1.269 -12.865 1.00 22.24 H new ATOM 0 HB3 LEU A 68 -2.631 1.412 -11.173 1.00 22.24 H new ATOM 0 HG LEU A 68 -1.215 -0.128 -12.596 1.00 32.33 H new ATOM 0 HD11 LEU A 68 -0.971 -1.842 -10.848 1.00 53.44 H new ATOM 0 HD12 LEU A 68 -1.113 -0.204 -10.169 1.00 53.44 H new ATOM 0 HD13 LEU A 68 -2.507 -1.310 -10.123 1.00 53.44 H new ATOM 0 HD21 LEU A 68 -2.074 -2.427 -12.952 1.00 20.42 H new ATOM 0 HD22 LEU A 68 -3.668 -1.911 -12.353 1.00 20.42 H new ATOM 0 HD23 LEU A 68 -3.015 -1.217 -13.856 1.00 20.42 H new ATOM 1162 N THR A 69 -4.438 0.916 -9.138 1.00 52.15 N ATOM 1163 CA THR A 69 -4.413 0.610 -7.712 1.00 74.10 C ATOM 1164 C THR A 69 -5.731 -0.003 -7.228 1.00 20.24 C ATOM 1165 O THR A 69 -5.742 -1.112 -6.688 1.00 14.02 O ATOM 1166 CB THR A 69 -4.089 1.870 -6.889 1.00 25.30 C ATOM 1167 OG1 THR A 69 -4.807 2.995 -7.410 1.00 60.42 O ATOM 1168 CG2 THR A 69 -2.595 2.160 -6.910 1.00 61.11 C ATOM 0 H THR A 69 -4.330 1.906 -9.357 1.00 52.15 H new ATOM 0 HA THR A 69 -3.627 -0.130 -7.562 1.00 74.10 H new ATOM 0 HB THR A 69 -4.394 1.692 -5.858 1.00 25.30 H new ATOM 0 HG1 THR A 69 -4.298 3.396 -8.145 1.00 60.42 H new ATOM 0 HG21 THR A 69 -2.390 3.055 -6.322 1.00 61.11 H new ATOM 0 HG22 THR A 69 -2.054 1.314 -6.485 1.00 61.11 H new ATOM 0 HG23 THR A 69 -2.270 2.319 -7.938 1.00 61.11 H new ATOM 1176 N ARG A 70 -6.836 0.711 -7.441 1.00 12.32 N ATOM 1177 CA ARG A 70 -8.150 0.258 -6.976 1.00 64.13 C ATOM 1178 C ARG A 70 -8.501 -1.110 -7.547 1.00 71.30 C ATOM 1179 O ARG A 70 -9.001 -1.979 -6.836 1.00 3.24 O ATOM 1180 CB ARG A 70 -9.251 1.236 -7.393 1.00 3.21 C ATOM 1181 CG ARG A 70 -9.026 2.677 -6.970 1.00 74.15 C ATOM 1182 CD ARG A 70 -10.098 3.575 -7.569 1.00 15.04 C ATOM 1183 NE ARG A 70 -10.314 3.272 -8.986 1.00 42.45 N ATOM 1184 CZ ARG A 70 -11.246 3.845 -9.749 1.00 73.33 C ATOM 1185 NH1 ARG A 70 -12.000 4.826 -9.266 1.00 63.35 N ATOM 1186 NH2 ARG A 70 -11.417 3.437 -11.005 1.00 14.51 N ATOM 0 H ARG A 70 -6.849 1.605 -7.932 1.00 12.32 H new ATOM 0 HA ARG A 70 -8.090 0.202 -5.889 1.00 64.13 H new ATOM 0 HB2 ARG A 70 -9.353 1.204 -8.478 1.00 3.21 H new ATOM 0 HB3 ARG A 70 -10.197 0.894 -6.974 1.00 3.21 H new ATOM 0 HG2 ARG A 70 -9.045 2.751 -5.883 1.00 74.15 H new ATOM 0 HG3 ARG A 70 -8.040 3.009 -7.295 1.00 74.15 H new ATOM 0 HD2 ARG A 70 -11.031 3.446 -7.021 1.00 15.04 H new ATOM 0 HD3 ARG A 70 -9.805 4.619 -7.459 1.00 15.04 H new ATOM 0 HE ARG A 70 -9.709 2.574 -9.419 1.00 42.45 H new ATOM 0 HH11 ARG A 70 -11.868 5.145 -8.306 1.00 63.35 H new ATOM 0 HH12 ARG A 70 -12.711 5.260 -9.855 1.00 63.35 H new ATOM 0 HH21 ARG A 70 -10.836 2.688 -11.381 1.00 14.51 H new ATOM 0 HH22 ARG A 70 -12.129 3.874 -11.591 1.00 14.51 H new ATOM 1200 N GLU A 71 -8.225 -1.294 -8.833 1.00 73.13 N ATOM 1201 CA GLU A 71 -8.685 -2.471 -9.556 1.00 12.24 C ATOM 1202 C GLU A 71 -8.029 -3.743 -9.020 1.00 53.35 C ATOM 1203 O GLU A 71 -8.686 -4.776 -8.873 1.00 23.11 O ATOM 1204 CB GLU A 71 -8.405 -2.301 -11.050 1.00 13.14 C ATOM 1205 CG GLU A 71 -9.338 -3.099 -11.943 1.00 1.34 C ATOM 1206 CD GLU A 71 -9.306 -2.631 -13.385 1.00 61.04 C ATOM 1207 OE1 GLU A 71 -9.665 -1.456 -13.642 1.00 5.12 O ATOM 1208 OE2 GLU A 71 -8.954 -3.438 -14.269 1.00 4.51 O ATOM 0 H GLU A 71 -7.683 -0.640 -9.397 1.00 73.13 H new ATOM 0 HA GLU A 71 -9.760 -2.572 -9.406 1.00 12.24 H new ATOM 0 HB2 GLU A 71 -8.486 -1.245 -11.307 1.00 13.14 H new ATOM 0 HB3 GLU A 71 -7.377 -2.601 -11.254 1.00 13.14 H new ATOM 0 HG2 GLU A 71 -9.063 -4.153 -11.901 1.00 1.34 H new ATOM 0 HG3 GLU A 71 -10.356 -3.020 -11.562 1.00 1.34 H new ATOM 1215 N SER A 72 -6.745 -3.667 -8.701 1.00 72.45 N ATOM 1216 CA SER A 72 -6.038 -4.818 -8.162 1.00 20.14 C ATOM 1217 C SER A 72 -6.417 -5.047 -6.704 1.00 72.13 C ATOM 1218 O SER A 72 -6.536 -6.189 -6.257 1.00 61.21 O ATOM 1219 CB SER A 72 -4.527 -4.639 -8.286 1.00 10.15 C ATOM 1220 OG SER A 72 -3.839 -5.780 -7.796 1.00 52.34 O ATOM 0 H SER A 72 -6.176 -2.827 -8.805 1.00 72.45 H new ATOM 0 HA SER A 72 -6.332 -5.692 -8.744 1.00 20.14 H new ATOM 0 HB2 SER A 72 -4.261 -4.470 -9.330 1.00 10.15 H new ATOM 0 HB3 SER A 72 -4.215 -3.755 -7.730 1.00 10.15 H new ATOM 0 HG SER A 72 -3.141 -5.497 -7.169 1.00 52.34 H new ATOM 1226 N PHE A 73 -6.614 -3.956 -5.970 1.00 63.12 N ATOM 1227 CA PHE A 73 -6.986 -4.030 -4.561 1.00 33.11 C ATOM 1228 C PHE A 73 -8.339 -4.714 -4.408 1.00 35.35 C ATOM 1229 O PHE A 73 -8.591 -5.413 -3.428 1.00 44.14 O ATOM 1230 CB PHE A 73 -7.033 -2.621 -3.961 1.00 22.45 C ATOM 1231 CG PHE A 73 -7.292 -2.587 -2.479 1.00 70.23 C ATOM 1232 CD1 PHE A 73 -6.281 -2.885 -1.581 1.00 32.14 C ATOM 1233 CD2 PHE A 73 -8.543 -2.243 -1.987 1.00 3.43 C ATOM 1234 CE1 PHE A 73 -6.511 -2.842 -0.218 1.00 22.23 C ATOM 1235 CE2 PHE A 73 -8.778 -2.201 -0.626 1.00 65.14 C ATOM 1236 CZ PHE A 73 -7.762 -2.500 0.259 1.00 20.20 C ATOM 0 H PHE A 73 -6.522 -3.006 -6.330 1.00 63.12 H new ATOM 0 HA PHE A 73 -6.239 -4.617 -4.028 1.00 33.11 H new ATOM 0 HB2 PHE A 73 -6.086 -2.121 -4.164 1.00 22.45 H new ATOM 0 HB3 PHE A 73 -7.811 -2.049 -4.467 1.00 22.45 H new ATOM 0 HD1 PHE A 73 -5.302 -3.154 -1.949 1.00 32.14 H new ATOM 0 HD2 PHE A 73 -9.341 -2.006 -2.675 1.00 3.43 H new ATOM 0 HE1 PHE A 73 -5.714 -3.075 0.473 1.00 22.23 H new ATOM 0 HE2 PHE A 73 -9.757 -1.934 -0.255 1.00 65.14 H new ATOM 0 HZ PHE A 73 -7.944 -2.467 1.323 1.00 20.20 H new ATOM 1246 N ARG A 74 -9.193 -4.514 -5.398 1.00 54.21 N ATOM 1247 CA ARG A 74 -10.532 -5.079 -5.400 1.00 42.25 C ATOM 1248 C ARG A 74 -10.501 -6.574 -5.718 1.00 14.22 C ATOM 1249 O ARG A 74 -11.185 -7.371 -5.077 1.00 24.32 O ATOM 1250 CB ARG A 74 -11.380 -4.347 -6.436 1.00 51.11 C ATOM 1251 CG ARG A 74 -12.852 -4.696 -6.391 1.00 54.51 C ATOM 1252 CD ARG A 74 -13.595 -4.023 -7.527 1.00 0.23 C ATOM 1253 NE ARG A 74 -15.041 -4.076 -7.354 1.00 1.42 N ATOM 1254 CZ ARG A 74 -15.899 -3.436 -8.144 1.00 10.35 C ATOM 1255 NH1 ARG A 74 -15.454 -2.810 -9.227 1.00 14.11 N ATOM 1256 NH2 ARG A 74 -17.196 -3.447 -7.870 1.00 64.44 N ATOM 0 H ARG A 74 -8.977 -3.955 -6.223 1.00 54.21 H new ATOM 0 HA ARG A 74 -10.965 -4.956 -4.407 1.00 42.25 H new ATOM 0 HB2 ARG A 74 -11.268 -3.273 -6.288 1.00 51.11 H new ATOM 0 HB3 ARG A 74 -10.995 -4.573 -7.430 1.00 51.11 H new ATOM 0 HG2 ARG A 74 -12.977 -5.777 -6.457 1.00 54.51 H new ATOM 0 HG3 ARG A 74 -13.276 -4.384 -5.437 1.00 54.51 H new ATOM 0 HD2 ARG A 74 -13.278 -2.982 -7.599 1.00 0.23 H new ATOM 0 HD3 ARG A 74 -13.327 -4.503 -8.468 1.00 0.23 H new ATOM 0 HE ARG A 74 -15.415 -4.634 -6.586 1.00 1.42 H new ATOM 0 HH11 ARG A 74 -14.459 -2.821 -9.450 1.00 14.11 H new ATOM 0 HH12 ARG A 74 -16.107 -2.318 -9.836 1.00 14.11 H new ATOM 0 HH21 ARG A 74 -17.540 -3.948 -7.051 1.00 64.44 H new ATOM 0 HH22 ARG A 74 -17.850 -2.955 -8.479 1.00 64.44 H new ATOM 1270 N LEU A 75 -9.696 -6.945 -6.707 1.00 31.22 N ATOM 1271 CA LEU A 75 -9.628 -8.330 -7.167 1.00 4.42 C ATOM 1272 C LEU A 75 -8.879 -9.215 -6.172 1.00 5.23 C ATOM 1273 O LEU A 75 -9.186 -10.395 -6.019 1.00 15.02 O ATOM 1274 CB LEU A 75 -8.945 -8.393 -8.536 1.00 62.41 C ATOM 1275 CG LEU A 75 -8.903 -9.778 -9.184 1.00 14.41 C ATOM 1276 CD1 LEU A 75 -10.311 -10.289 -9.452 1.00 21.15 C ATOM 1277 CD2 LEU A 75 -8.097 -9.733 -10.472 1.00 65.24 C ATOM 0 H LEU A 75 -9.079 -6.305 -7.208 1.00 31.22 H new ATOM 0 HA LEU A 75 -10.648 -8.706 -7.250 1.00 4.42 H new ATOM 0 HB2 LEU A 75 -9.459 -7.710 -9.212 1.00 62.41 H new ATOM 0 HB3 LEU A 75 -7.923 -8.028 -8.431 1.00 62.41 H new ATOM 0 HG LEU A 75 -8.417 -10.467 -8.494 1.00 14.41 H new ATOM 0 HD11 LEU A 75 -10.259 -11.275 -9.913 1.00 21.15 H new ATOM 0 HD12 LEU A 75 -10.859 -10.357 -8.512 1.00 21.15 H new ATOM 0 HD13 LEU A 75 -10.826 -9.602 -10.123 1.00 21.15 H new ATOM 0 HD21 LEU A 75 -8.075 -10.725 -10.923 1.00 65.24 H new ATOM 0 HD22 LEU A 75 -8.558 -9.030 -11.165 1.00 65.24 H new ATOM 0 HD23 LEU A 75 -7.079 -9.412 -10.253 1.00 65.24 H new ATOM 1289 N ARG A 76 -7.906 -8.638 -5.485 1.00 23.32 N ATOM 1290 CA ARG A 76 -7.072 -9.393 -4.558 1.00 20.14 C ATOM 1291 C ARG A 76 -7.647 -9.305 -3.142 1.00 34.21 C ATOM 1292 O ARG A 76 -7.036 -9.770 -2.176 1.00 34.34 O ATOM 1293 CB ARG A 76 -5.641 -8.838 -4.599 1.00 55.13 C ATOM 1294 CG ARG A 76 -4.584 -9.721 -3.945 1.00 45.01 C ATOM 1295 CD ARG A 76 -4.427 -11.053 -4.663 1.00 1.32 C ATOM 1296 NE ARG A 76 -3.205 -11.751 -4.251 1.00 1.00 N ATOM 1297 CZ ARG A 76 -2.933 -13.025 -4.545 1.00 0.33 C ATOM 1298 NH1 ARG A 76 -3.820 -13.763 -5.197 1.00 14.33 N ATOM 1299 NH2 ARG A 76 -1.773 -13.560 -4.178 1.00 2.30 N ATOM 0 H ARG A 76 -7.673 -7.647 -5.551 1.00 23.32 H new ATOM 0 HA ARG A 76 -7.054 -10.442 -4.852 1.00 20.14 H new ATOM 0 HB2 ARG A 76 -5.361 -8.674 -5.640 1.00 55.13 H new ATOM 0 HB3 ARG A 76 -5.632 -7.864 -4.109 1.00 55.13 H new ATOM 0 HG2 ARG A 76 -3.628 -9.198 -3.940 1.00 45.01 H new ATOM 0 HG3 ARG A 76 -4.855 -9.900 -2.905 1.00 45.01 H new ATOM 0 HD2 ARG A 76 -5.293 -11.682 -4.456 1.00 1.32 H new ATOM 0 HD3 ARG A 76 -4.405 -10.885 -5.740 1.00 1.32 H new ATOM 0 HE ARG A 76 -2.519 -11.230 -3.705 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -4.714 -13.358 -5.476 1.00 14.33 H new ATOM 0 HH12 ARG A 76 -3.609 -14.736 -5.420 1.00 14.33 H new ATOM 0 HH21 ARG A 76 -1.090 -12.997 -3.671 1.00 2.30 H new ATOM 0 HH22 ARG A 76 -1.566 -14.533 -4.403 1.00 2.30 H new ATOM 1313 N GLN A 77 -8.840 -8.729 -3.033 1.00 64.32 N ATOM 1314 CA GLN A 77 -9.447 -8.453 -1.737 1.00 23.14 C ATOM 1315 C GLN A 77 -10.095 -9.698 -1.135 1.00 41.13 C ATOM 1316 O GLN A 77 -11.311 -9.883 -1.229 1.00 24.30 O ATOM 1317 CB GLN A 77 -10.484 -7.332 -1.866 1.00 32.13 C ATOM 1318 CG GLN A 77 -10.894 -6.726 -0.533 1.00 23.03 C ATOM 1319 CD GLN A 77 -9.723 -6.094 0.194 1.00 73.32 C ATOM 1320 OE1 GLN A 77 -9.685 -6.067 1.422 1.00 73.12 O ATOM 1321 NE2 GLN A 77 -8.762 -5.578 -0.561 1.00 70.34 N ATOM 0 H GLN A 77 -9.407 -8.443 -3.831 1.00 64.32 H new ATOM 0 HA GLN A 77 -8.651 -8.135 -1.063 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -10.080 -6.546 -2.504 1.00 32.13 H new ATOM 0 HB3 GLN A 77 -11.370 -7.724 -2.365 1.00 32.13 H new ATOM 0 HG2 GLN A 77 -11.665 -5.973 -0.700 1.00 23.03 H new ATOM 0 HG3 GLN A 77 -11.335 -7.500 0.096 1.00 23.03 H new ATOM 0 HE21 GLN A 77 -8.833 -5.622 -1.578 1.00 70.34 H new ATOM 0 HE22 GLN A 77 -7.952 -5.137 -0.125 1.00 70.34 H new ATOM 1330 N HIS A 78 -9.257 -10.550 -0.547 1.00 72.10 N ATOM 1331 CA HIS A 78 -9.691 -11.738 0.194 1.00 21.32 C ATOM 1332 C HIS A 78 -8.487 -12.636 0.447 1.00 22.33 C ATOM 1333 O HIS A 78 -8.405 -13.319 1.467 1.00 15.41 O ATOM 1334 CB HIS A 78 -10.765 -12.541 -0.556 1.00 23.11 C ATOM 1335 CG HIS A 78 -11.554 -13.448 0.340 1.00 72.13 C ATOM 1336 ND1 HIS A 78 -11.558 -14.819 0.218 1.00 3.45 N ATOM 1337 CD2 HIS A 78 -12.382 -13.163 1.373 1.00 22.22 C ATOM 1338 CE1 HIS A 78 -12.353 -15.339 1.135 1.00 11.11 C ATOM 1339 NE2 HIS A 78 -12.867 -14.355 1.849 1.00 2.43 N ATOM 0 H HIS A 78 -8.244 -10.435 -0.571 1.00 72.10 H new ATOM 0 HA HIS A 78 -10.130 -11.396 1.131 1.00 21.32 H new ATOM 0 HB2 HIS A 78 -11.445 -11.850 -1.054 1.00 23.11 H new ATOM 0 HB3 HIS A 78 -10.288 -13.135 -1.335 1.00 23.11 H new ATOM 0 HD2 HIS A 78 -12.617 -12.179 1.752 1.00 22.22 H new ATOM 0 HE1 HIS A 78 -12.549 -16.391 1.277 1.00 11.11 H new ATOM 0 HE2 HIS A 78 -13.518 -14.463 2.627 1.00 2.43 H new ATOM 1348 N GLU A 79 -7.555 -12.632 -0.501 1.00 21.13 N ATOM 1349 CA GLU A 79 -6.335 -13.419 -0.381 1.00 5.14 C ATOM 1350 C GLU A 79 -5.428 -12.828 0.693 1.00 22.32 C ATOM 1351 O GLU A 79 -4.786 -13.554 1.451 1.00 51.43 O ATOM 1352 CB GLU A 79 -5.608 -13.463 -1.726 1.00 31.54 C ATOM 1353 CG GLU A 79 -6.431 -14.092 -2.839 1.00 3.32 C ATOM 1354 CD GLU A 79 -6.649 -15.577 -2.638 1.00 3.24 C ATOM 1355 OE1 GLU A 79 -7.456 -15.954 -1.763 1.00 1.43 O ATOM 1356 OE2 GLU A 79 -6.017 -16.378 -3.362 1.00 32.12 O ATOM 0 H GLU A 79 -7.623 -12.090 -1.363 1.00 21.13 H new ATOM 0 HA GLU A 79 -6.598 -14.436 -0.090 1.00 5.14 H new ATOM 0 HB2 GLU A 79 -5.335 -12.448 -2.016 1.00 31.54 H new ATOM 0 HB3 GLU A 79 -4.680 -14.023 -1.610 1.00 31.54 H new ATOM 0 HG2 GLU A 79 -7.398 -13.592 -2.897 1.00 3.32 H new ATOM 0 HG3 GLU A 79 -5.929 -13.929 -3.793 1.00 3.32 H new ATOM 1363 N LEU A 80 -5.394 -11.505 0.755 1.00 12.02 N ATOM 1364 CA LEU A 80 -4.612 -10.806 1.758 1.00 44.42 C ATOM 1365 C LEU A 80 -5.533 -10.254 2.847 1.00 32.12 C ATOM 1366 O LEU A 80 -6.732 -10.090 2.613 1.00 61.11 O ATOM 1367 CB LEU A 80 -3.772 -9.693 1.100 1.00 11.24 C ATOM 1368 CG LEU A 80 -4.518 -8.731 0.163 1.00 35.44 C ATOM 1369 CD1 LEU A 80 -5.307 -7.690 0.944 1.00 32.42 C ATOM 1370 CD2 LEU A 80 -3.539 -8.050 -0.781 1.00 64.34 C ATOM 0 H LEU A 80 -5.903 -10.893 0.117 1.00 12.02 H new ATOM 0 HA LEU A 80 -3.920 -11.504 2.229 1.00 44.42 H new ATOM 0 HB2 LEU A 80 -3.306 -9.105 1.891 1.00 11.24 H new ATOM 0 HB3 LEU A 80 -2.967 -10.163 0.535 1.00 11.24 H new ATOM 0 HG LEU A 80 -5.227 -9.318 -0.420 1.00 35.44 H new ATOM 0 HD11 LEU A 80 -5.822 -7.027 0.249 1.00 32.42 H new ATOM 0 HD12 LEU A 80 -6.039 -8.189 1.579 1.00 32.42 H new ATOM 0 HD13 LEU A 80 -4.626 -7.107 1.564 1.00 32.42 H new ATOM 0 HD21 LEU A 80 -4.081 -7.371 -1.439 1.00 64.34 H new ATOM 0 HD22 LEU A 80 -2.807 -7.487 -0.202 1.00 64.34 H new ATOM 0 HD23 LEU A 80 -3.026 -8.803 -1.379 1.00 64.34 H new ATOM 1382 N PRO A 81 -4.995 -9.982 4.049 1.00 62.41 N ATOM 1383 CA PRO A 81 -5.785 -9.455 5.166 1.00 1.23 C ATOM 1384 C PRO A 81 -6.394 -8.094 4.848 1.00 73.33 C ATOM 1385 O PRO A 81 -5.693 -7.168 4.435 1.00 55.22 O ATOM 1386 CB PRO A 81 -4.774 -9.338 6.312 1.00 13.45 C ATOM 1387 CG PRO A 81 -3.438 -9.327 5.654 1.00 22.44 C ATOM 1388 CD PRO A 81 -3.583 -10.165 4.417 1.00 5.13 C ATOM 0 HA PRO A 81 -6.631 -10.100 5.402 1.00 1.23 H new ATOM 0 HB2 PRO A 81 -4.936 -8.428 6.889 1.00 13.45 H new ATOM 0 HB3 PRO A 81 -4.865 -10.175 7.005 1.00 13.45 H new ATOM 0 HG2 PRO A 81 -3.134 -8.311 5.404 1.00 22.44 H new ATOM 0 HG3 PRO A 81 -2.673 -9.735 6.315 1.00 22.44 H new ATOM 0 HD2 PRO A 81 -2.914 -9.831 3.624 1.00 5.13 H new ATOM 0 HD3 PRO A 81 -3.350 -11.212 4.611 1.00 5.13 H new ATOM 1396 N ALA A 82 -7.703 -7.985 5.038 1.00 65.11 N ATOM 1397 CA ALA A 82 -8.424 -6.751 4.762 1.00 41.25 C ATOM 1398 C ALA A 82 -8.116 -5.687 5.811 1.00 62.41 C ATOM 1399 O ALA A 82 -8.771 -5.611 6.854 1.00 34.12 O ATOM 1400 CB ALA A 82 -9.919 -7.020 4.692 1.00 12.50 C ATOM 0 H ALA A 82 -8.290 -8.744 5.385 1.00 65.11 H new ATOM 0 HA ALA A 82 -8.092 -6.371 3.796 1.00 41.25 H new ATOM 0 HB1 ALA A 82 -10.447 -6.089 4.485 1.00 12.50 H new ATOM 0 HB2 ALA A 82 -10.123 -7.737 3.897 1.00 12.50 H new ATOM 0 HB3 ALA A 82 -10.260 -7.427 5.644 1.00 12.50 H new ATOM 1406 N MET A 83 -7.097 -4.890 5.538 1.00 20.42 N ATOM 1407 CA MET A 83 -6.686 -3.831 6.443 1.00 71.31 C ATOM 1408 C MET A 83 -6.683 -2.499 5.711 1.00 5.34 C ATOM 1409 O MET A 83 -6.994 -2.431 4.520 1.00 20.01 O ATOM 1410 CB MET A 83 -5.283 -4.103 7.001 1.00 20.34 C ATOM 1411 CG MET A 83 -5.095 -5.492 7.590 1.00 71.33 C ATOM 1412 SD MET A 83 -6.132 -5.804 9.034 1.00 64.21 S ATOM 1413 CE MET A 83 -5.618 -7.475 9.430 1.00 65.25 C ATOM 0 H MET A 83 -6.535 -4.958 4.689 1.00 20.42 H new ATOM 0 HA MET A 83 -7.394 -3.797 7.271 1.00 71.31 H new ATOM 0 HB2 MET A 83 -4.555 -3.959 6.203 1.00 20.34 H new ATOM 0 HB3 MET A 83 -5.063 -3.363 7.771 1.00 20.34 H new ATOM 0 HG2 MET A 83 -5.317 -6.236 6.825 1.00 71.33 H new ATOM 0 HG3 MET A 83 -4.049 -5.622 7.868 1.00 71.33 H new ATOM 0 HE1 MET A 83 -5.607 -7.605 10.512 1.00 65.25 H new ATOM 0 HE2 MET A 83 -6.316 -8.185 8.986 1.00 65.25 H new ATOM 0 HE3 MET A 83 -4.619 -7.652 9.033 1.00 65.25 H new ATOM 1423 N ASP A 84 -6.331 -1.444 6.427 1.00 62.03 N ATOM 1424 CA ASP A 84 -6.220 -0.119 5.836 1.00 50.22 C ATOM 1425 C ASP A 84 -4.765 0.148 5.478 1.00 25.02 C ATOM 1426 O ASP A 84 -3.923 0.335 6.363 1.00 32.40 O ATOM 1427 CB ASP A 84 -6.736 0.940 6.813 1.00 32.20 C ATOM 1428 CG ASP A 84 -6.734 2.339 6.226 1.00 3.24 C ATOM 1429 OD1 ASP A 84 -5.702 3.031 6.334 1.00 64.23 O ATOM 1430 OD2 ASP A 84 -7.778 2.758 5.684 1.00 70.24 O ATOM 0 H ASP A 84 -6.116 -1.479 7.423 1.00 62.03 H new ATOM 0 HA ASP A 84 -6.826 -0.071 4.932 1.00 50.22 H new ATOM 0 HB2 ASP A 84 -7.750 0.681 7.118 1.00 32.20 H new ATOM 0 HB3 ASP A 84 -6.120 0.928 7.712 1.00 32.20 H new ATOM 1435 N PHE A 85 -4.466 0.125 4.190 1.00 23.43 N ATOM 1436 CA PHE A 85 -3.092 0.254 3.727 1.00 64.30 C ATOM 1437 C PHE A 85 -2.861 1.595 3.050 1.00 41.31 C ATOM 1438 O PHE A 85 -3.663 2.031 2.224 1.00 32.24 O ATOM 1439 CB PHE A 85 -2.746 -0.865 2.743 1.00 65.11 C ATOM 1440 CG PHE A 85 -2.934 -2.249 3.291 1.00 53.35 C ATOM 1441 CD1 PHE A 85 -2.077 -2.753 4.255 1.00 63.05 C ATOM 1442 CD2 PHE A 85 -3.967 -3.050 2.831 1.00 10.02 C ATOM 1443 CE1 PHE A 85 -2.246 -4.030 4.752 1.00 31.25 C ATOM 1444 CE2 PHE A 85 -4.142 -4.328 3.324 1.00 23.14 C ATOM 1445 CZ PHE A 85 -3.280 -4.819 4.285 1.00 53.51 C ATOM 0 H PHE A 85 -5.155 0.018 3.446 1.00 23.43 H new ATOM 0 HA PHE A 85 -2.448 0.183 4.604 1.00 64.30 H new ATOM 0 HB2 PHE A 85 -3.363 -0.753 1.852 1.00 65.11 H new ATOM 0 HB3 PHE A 85 -1.709 -0.749 2.429 1.00 65.11 H new ATOM 0 HD1 PHE A 85 -1.267 -2.140 4.622 1.00 63.05 H new ATOM 0 HD2 PHE A 85 -4.643 -2.671 2.079 1.00 10.02 H new ATOM 0 HE1 PHE A 85 -1.571 -4.412 5.504 1.00 31.25 H new ATOM 0 HE2 PHE A 85 -4.952 -4.943 2.959 1.00 23.14 H new ATOM 0 HZ PHE A 85 -3.414 -5.819 4.671 1.00 53.51 H new ATOM 1455 N VAL A 86 -1.758 2.236 3.397 1.00 41.31 N ATOM 1456 CA VAL A 86 -1.349 3.460 2.736 1.00 61.12 C ATOM 1457 C VAL A 86 -0.361 3.131 1.616 1.00 61.25 C ATOM 1458 O VAL A 86 0.666 2.487 1.837 1.00 60.40 O ATOM 1459 CB VAL A 86 -0.731 4.473 3.731 1.00 73.12 C ATOM 1460 CG1 VAL A 86 0.374 3.835 4.553 1.00 0.14 C ATOM 1461 CG2 VAL A 86 -0.210 5.706 3.003 1.00 71.03 C ATOM 0 H VAL A 86 -1.128 1.926 4.137 1.00 41.31 H new ATOM 0 HA VAL A 86 -2.235 3.931 2.311 1.00 61.12 H new ATOM 0 HB VAL A 86 -1.522 4.786 4.413 1.00 73.12 H new ATOM 0 HG11 VAL A 86 0.787 4.572 5.242 1.00 0.14 H new ATOM 0 HG12 VAL A 86 -0.032 2.997 5.119 1.00 0.14 H new ATOM 0 HG13 VAL A 86 1.161 3.477 3.889 1.00 0.14 H new ATOM 0 HG21 VAL A 86 0.219 6.401 3.725 1.00 71.03 H new ATOM 0 HG22 VAL A 86 0.556 5.409 2.287 1.00 71.03 H new ATOM 0 HG23 VAL A 86 -1.031 6.191 2.476 1.00 71.03 H new ATOM 1471 N VAL A 87 -0.694 3.550 0.408 1.00 33.51 N ATOM 1472 CA VAL A 87 0.110 3.233 -0.759 1.00 31.14 C ATOM 1473 C VAL A 87 0.783 4.486 -1.301 1.00 3.34 C ATOM 1474 O VAL A 87 0.113 5.399 -1.782 1.00 1.35 O ATOM 1475 CB VAL A 87 -0.750 2.601 -1.872 1.00 3.15 C ATOM 1476 CG1 VAL A 87 0.104 2.241 -3.077 1.00 44.20 C ATOM 1477 CG2 VAL A 87 -1.489 1.378 -1.350 1.00 72.13 C ATOM 0 H VAL A 87 -1.520 4.114 0.209 1.00 33.51 H new ATOM 0 HA VAL A 87 0.870 2.516 -0.448 1.00 31.14 H new ATOM 0 HB VAL A 87 -1.489 3.337 -2.189 1.00 3.15 H new ATOM 0 HG11 VAL A 87 -0.525 1.797 -3.849 1.00 44.20 H new ATOM 0 HG12 VAL A 87 0.578 3.141 -3.469 1.00 44.20 H new ATOM 0 HG13 VAL A 87 0.871 1.527 -2.779 1.00 44.20 H new ATOM 0 HG21 VAL A 87 -2.090 0.947 -2.151 1.00 72.13 H new ATOM 0 HG22 VAL A 87 -0.768 0.639 -0.999 1.00 72.13 H new ATOM 0 HG23 VAL A 87 -2.139 1.670 -0.525 1.00 72.13 H new ATOM 1487 N VAL A 88 2.102 4.529 -1.216 1.00 33.41 N ATOM 1488 CA VAL A 88 2.853 5.676 -1.693 1.00 61.41 C ATOM 1489 C VAL A 88 3.501 5.366 -3.036 1.00 14.03 C ATOM 1490 O VAL A 88 4.323 4.454 -3.151 1.00 25.44 O ATOM 1491 CB VAL A 88 3.937 6.108 -0.683 1.00 14.52 C ATOM 1492 CG1 VAL A 88 4.656 7.354 -1.173 1.00 45.24 C ATOM 1493 CG2 VAL A 88 3.325 6.350 0.689 1.00 62.30 C ATOM 0 H VAL A 88 2.674 3.783 -0.821 1.00 33.41 H new ATOM 0 HA VAL A 88 2.149 6.500 -1.810 1.00 61.41 H new ATOM 0 HB VAL A 88 4.665 5.302 -0.596 1.00 14.52 H new ATOM 0 HG11 VAL A 88 5.417 7.644 -0.448 1.00 45.24 H new ATOM 0 HG12 VAL A 88 5.129 7.147 -2.133 1.00 45.24 H new ATOM 0 HG13 VAL A 88 3.938 8.166 -1.290 1.00 45.24 H new ATOM 0 HG21 VAL A 88 4.105 6.654 1.387 1.00 62.30 H new ATOM 0 HG22 VAL A 88 2.574 7.137 0.619 1.00 62.30 H new ATOM 0 HG23 VAL A 88 2.856 5.433 1.045 1.00 62.30 H new ATOM 1503 N ALA A 89 3.106 6.118 -4.050 1.00 22.30 N ATOM 1504 CA ALA A 89 3.649 5.945 -5.387 1.00 71.42 C ATOM 1505 C ALA A 89 4.999 6.639 -5.503 1.00 74.23 C ATOM 1506 O ALA A 89 5.175 7.757 -5.018 1.00 43.22 O ATOM 1507 CB ALA A 89 2.679 6.483 -6.433 1.00 20.42 C ATOM 0 H ALA A 89 2.408 6.858 -3.972 1.00 22.30 H new ATOM 0 HA ALA A 89 3.790 4.879 -5.568 1.00 71.42 H new ATOM 0 HB1 ALA A 89 3.103 6.345 -7.428 1.00 20.42 H new ATOM 0 HB2 ALA A 89 1.734 5.945 -6.363 1.00 20.42 H new ATOM 0 HB3 ALA A 89 2.506 7.545 -6.257 1.00 20.42 H new ATOM 1513 N LYS A 90 5.951 5.965 -6.127 1.00 11.54 N ATOM 1514 CA LYS A 90 7.287 6.510 -6.297 1.00 53.33 C ATOM 1515 C LYS A 90 7.485 6.994 -7.732 1.00 71.01 C ATOM 1516 O LYS A 90 6.539 7.043 -8.518 1.00 25.21 O ATOM 1517 CB LYS A 90 8.339 5.452 -5.953 1.00 70.10 C ATOM 1518 CG LYS A 90 8.227 4.872 -4.545 1.00 71.32 C ATOM 1519 CD LYS A 90 8.777 5.813 -3.477 1.00 11.44 C ATOM 1520 CE LYS A 90 7.768 6.872 -3.056 1.00 75.51 C ATOM 1521 NZ LYS A 90 8.287 7.717 -1.951 1.00 35.42 N ATOM 0 H LYS A 90 5.822 5.035 -6.526 1.00 11.54 H new ATOM 0 HA LYS A 90 7.403 7.357 -5.621 1.00 53.33 H new ATOM 0 HB2 LYS A 90 8.264 4.637 -6.673 1.00 70.10 H new ATOM 0 HB3 LYS A 90 9.329 5.892 -6.072 1.00 70.10 H new ATOM 0 HG2 LYS A 90 7.181 4.654 -4.328 1.00 71.32 H new ATOM 0 HG3 LYS A 90 8.766 3.925 -4.502 1.00 71.32 H new ATOM 0 HD2 LYS A 90 9.074 5.232 -2.604 1.00 11.44 H new ATOM 0 HD3 LYS A 90 9.675 6.302 -3.856 1.00 11.44 H new ATOM 0 HE2 LYS A 90 7.523 7.502 -3.911 1.00 75.51 H new ATOM 0 HE3 LYS A 90 6.843 6.389 -2.741 1.00 75.51 H new ATOM 0 HZ1 LYS A 90 7.572 8.427 -1.691 1.00 35.42 H new ATOM 0 HZ2 LYS A 90 8.497 7.119 -1.126 1.00 35.42 H new ATOM 0 HZ3 LYS A 90 9.156 8.198 -2.260 1.00 35.42 H new ATOM 1535 N LYS A 91 8.711 7.359 -8.066 1.00 41.30 N ATOM 1536 CA LYS A 91 9.024 7.845 -9.404 1.00 53.12 C ATOM 1537 C LYS A 91 9.016 6.701 -10.415 1.00 41.13 C ATOM 1538 O LYS A 91 9.407 5.580 -10.096 1.00 43.05 O ATOM 1539 CB LYS A 91 10.389 8.536 -9.401 1.00 11.24 C ATOM 1540 CG LYS A 91 11.505 7.662 -8.859 1.00 30.40 C ATOM 1541 CD LYS A 91 12.833 8.397 -8.850 1.00 2.03 C ATOM 1542 CE LYS A 91 13.926 7.553 -8.212 1.00 32.43 C ATOM 1543 NZ LYS A 91 15.240 8.247 -8.209 1.00 72.33 N ATOM 0 H LYS A 91 9.508 7.329 -7.430 1.00 41.30 H new ATOM 0 HA LYS A 91 8.259 8.564 -9.697 1.00 53.12 H new ATOM 0 HB2 LYS A 91 10.637 8.840 -10.418 1.00 11.24 H new ATOM 0 HB3 LYS A 91 10.327 9.445 -8.803 1.00 11.24 H new ATOM 0 HG2 LYS A 91 11.259 7.342 -7.847 1.00 30.40 H new ATOM 0 HG3 LYS A 91 11.591 6.761 -9.467 1.00 30.40 H new ATOM 0 HD2 LYS A 91 13.117 8.653 -9.871 1.00 2.03 H new ATOM 0 HD3 LYS A 91 12.729 9.335 -8.304 1.00 2.03 H new ATOM 0 HE2 LYS A 91 13.643 7.309 -7.188 1.00 32.43 H new ATOM 0 HE3 LYS A 91 14.016 6.610 -8.751 1.00 32.43 H new ATOM 0 HZ1 LYS A 91 15.955 7.635 -7.765 1.00 72.33 H new ATOM 0 HZ2 LYS A 91 15.524 8.457 -9.187 1.00 72.33 H new ATOM 0 HZ3 LYS A 91 15.163 9.135 -7.673 1.00 72.33 H new ATOM 1557 N GLY A 92 8.544 6.987 -11.624 1.00 74.02 N ATOM 1558 CA GLY A 92 8.567 5.994 -12.686 1.00 61.14 C ATOM 1559 C GLY A 92 7.308 5.146 -12.741 1.00 54.44 C ATOM 1560 O GLY A 92 7.219 4.217 -13.542 1.00 74.22 O ATOM 0 H GLY A 92 8.146 7.888 -11.889 1.00 74.02 H new ATOM 0 HA2 GLY A 92 8.699 6.498 -13.643 1.00 61.14 H new ATOM 0 HA3 GLY A 92 9.430 5.343 -12.547 1.00 61.14 H new ATOM 1564 N VAL A 93 6.333 5.459 -11.899 1.00 42.23 N ATOM 1565 CA VAL A 93 5.085 4.701 -11.868 1.00 61.14 C ATOM 1566 C VAL A 93 4.124 5.180 -12.963 1.00 30.32 C ATOM 1567 O VAL A 93 3.233 4.449 -13.390 1.00 41.43 O ATOM 1568 CB VAL A 93 4.406 4.801 -10.477 1.00 63.01 C ATOM 1569 CG1 VAL A 93 3.934 6.221 -10.198 1.00 14.13 C ATOM 1570 CG2 VAL A 93 3.250 3.813 -10.356 1.00 22.13 C ATOM 0 H VAL A 93 6.379 6.228 -11.231 1.00 42.23 H new ATOM 0 HA VAL A 93 5.330 3.656 -12.057 1.00 61.14 H new ATOM 0 HB VAL A 93 5.152 4.540 -9.726 1.00 63.01 H new ATOM 0 HG11 VAL A 93 3.462 6.261 -9.216 1.00 14.13 H new ATOM 0 HG12 VAL A 93 4.787 6.899 -10.218 1.00 14.13 H new ATOM 0 HG13 VAL A 93 3.214 6.521 -10.959 1.00 14.13 H new ATOM 0 HG21 VAL A 93 2.793 3.906 -9.371 1.00 22.13 H new ATOM 0 HG22 VAL A 93 2.506 4.028 -11.123 1.00 22.13 H new ATOM 0 HG23 VAL A 93 3.624 2.798 -10.488 1.00 22.13 H new ATOM 1580 N ALA A 94 4.328 6.406 -13.428 1.00 54.35 N ATOM 1581 CA ALA A 94 3.473 6.980 -14.459 1.00 54.22 C ATOM 1582 C ALA A 94 3.919 6.539 -15.849 1.00 24.25 C ATOM 1583 O ALA A 94 3.119 6.496 -16.785 1.00 14.12 O ATOM 1584 CB ALA A 94 3.470 8.496 -14.358 1.00 44.45 C ATOM 0 H ALA A 94 5.076 7.021 -13.108 1.00 54.35 H new ATOM 0 HA ALA A 94 2.458 6.616 -14.300 1.00 54.22 H new ATOM 0 HB1 ALA A 94 2.827 8.911 -15.134 1.00 44.45 H new ATOM 0 HB2 ALA A 94 3.096 8.795 -13.379 1.00 44.45 H new ATOM 0 HB3 ALA A 94 4.485 8.871 -14.488 1.00 44.45 H new ATOM 1590 N ASP A 95 5.195 6.200 -15.972 1.00 2.33 N ATOM 1591 CA ASP A 95 5.757 5.784 -17.251 1.00 31.03 C ATOM 1592 C ASP A 95 6.397 4.415 -17.116 1.00 23.22 C ATOM 1593 O ASP A 95 7.476 4.276 -16.537 1.00 43.43 O ATOM 1594 CB ASP A 95 6.796 6.798 -17.742 1.00 43.43 C ATOM 1595 CG ASP A 95 7.365 6.446 -19.107 1.00 30.04 C ATOM 1596 OD1 ASP A 95 6.699 6.731 -20.123 1.00 34.31 O ATOM 1597 OD2 ASP A 95 8.492 5.906 -19.173 1.00 13.51 O ATOM 0 H ASP A 95 5.862 6.205 -15.200 1.00 2.33 H new ATOM 0 HA ASP A 95 4.950 5.733 -17.981 1.00 31.03 H new ATOM 0 HB2 ASP A 95 6.339 7.786 -17.788 1.00 43.43 H new ATOM 0 HB3 ASP A 95 7.609 6.857 -17.019 1.00 43.43 H new ATOM 1602 N LEU A 96 5.718 3.407 -17.627 1.00 23.51 N ATOM 1603 CA LEU A 96 6.221 2.046 -17.570 1.00 42.11 C ATOM 1604 C LEU A 96 5.974 1.322 -18.888 1.00 1.31 C ATOM 1605 O LEU A 96 5.232 1.811 -19.747 1.00 42.10 O ATOM 1606 CB LEU A 96 5.588 1.283 -16.391 1.00 33.41 C ATOM 1607 CG LEU A 96 4.088 1.529 -16.149 1.00 2.22 C ATOM 1608 CD1 LEU A 96 3.232 0.881 -17.228 1.00 42.55 C ATOM 1609 CD2 LEU A 96 3.684 1.013 -14.777 1.00 1.02 C ATOM 0 H LEU A 96 4.813 3.504 -18.088 1.00 23.51 H new ATOM 0 HA LEU A 96 7.298 2.085 -17.407 1.00 42.11 H new ATOM 0 HB2 LEU A 96 5.738 0.216 -16.553 1.00 33.41 H new ATOM 0 HB3 LEU A 96 6.129 1.546 -15.482 1.00 33.41 H new ATOM 0 HG LEU A 96 3.918 2.605 -16.191 1.00 2.22 H new ATOM 0 HD11 LEU A 96 2.179 1.076 -17.023 1.00 42.55 H new ATOM 0 HD12 LEU A 96 3.496 1.297 -18.200 1.00 42.55 H new ATOM 0 HD13 LEU A 96 3.407 -0.195 -17.234 1.00 42.55 H new ATOM 0 HD21 LEU A 96 2.621 1.193 -14.619 1.00 1.02 H new ATOM 0 HD22 LEU A 96 3.883 -0.057 -14.718 1.00 1.02 H new ATOM 0 HD23 LEU A 96 4.258 1.532 -14.009 1.00 1.02 H new ATOM 1621 N ASP A 97 6.603 0.162 -19.043 1.00 60.52 N ATOM 1622 CA ASP A 97 6.456 -0.641 -20.254 1.00 32.31 C ATOM 1623 C ASP A 97 5.097 -1.326 -20.270 1.00 71.13 C ATOM 1624 O ASP A 97 4.424 -1.411 -19.240 1.00 14.12 O ATOM 1625 CB ASP A 97 7.570 -1.688 -20.354 1.00 24.33 C ATOM 1626 CG ASP A 97 8.954 -1.074 -20.356 1.00 10.22 C ATOM 1627 OD1 ASP A 97 9.368 -0.530 -21.397 1.00 53.33 O ATOM 1628 OD2 ASP A 97 9.638 -1.138 -19.313 1.00 22.20 O ATOM 0 H ASP A 97 7.222 -0.245 -18.342 1.00 60.52 H new ATOM 0 HA ASP A 97 6.530 0.025 -21.114 1.00 32.31 H new ATOM 0 HB2 ASP A 97 7.486 -2.382 -19.517 1.00 24.33 H new ATOM 0 HB3 ASP A 97 7.434 -2.270 -21.266 1.00 24.33 H new ATOM 1633 N ASN A 98 4.708 -1.839 -21.430 1.00 20.31 N ATOM 1634 CA ASN A 98 3.369 -2.394 -21.609 1.00 2.31 C ATOM 1635 C ASN A 98 3.141 -3.618 -20.723 1.00 15.13 C ATOM 1636 O ASN A 98 2.104 -3.732 -20.072 1.00 71.11 O ATOM 1637 CB ASN A 98 3.110 -2.742 -23.080 1.00 62.35 C ATOM 1638 CG ASN A 98 3.175 -1.523 -23.986 1.00 2.10 C ATOM 1639 OD1 ASN A 98 4.216 -1.217 -24.569 1.00 65.34 O ATOM 1640 ND2 ASN A 98 2.062 -0.814 -24.111 1.00 55.25 N ATOM 0 H ASN A 98 5.298 -1.883 -22.261 1.00 20.31 H new ATOM 0 HA ASN A 98 2.659 -1.625 -21.304 1.00 2.31 H new ATOM 0 HB2 ASN A 98 3.844 -3.476 -23.411 1.00 62.35 H new ATOM 0 HB3 ASN A 98 2.129 -3.208 -23.173 1.00 62.35 H new ATOM 0 HD21 ASN A 98 2.049 0.015 -24.705 1.00 55.25 H new ATOM 0 HD22 ASN A 98 1.218 -1.097 -23.613 1.00 55.25 H new ATOM 1647 N ARG A 99 4.102 -4.532 -20.689 1.00 75.03 N ATOM 1648 CA ARG A 99 3.984 -5.705 -19.830 1.00 73.42 C ATOM 1649 C ARG A 99 4.484 -5.389 -18.423 1.00 34.42 C ATOM 1650 O ARG A 99 4.189 -6.110 -17.467 1.00 61.32 O ATOM 1651 CB ARG A 99 4.774 -6.890 -20.399 1.00 12.05 C ATOM 1652 CG ARG A 99 4.383 -8.222 -19.779 1.00 30.32 C ATOM 1653 CD ARG A 99 5.326 -9.339 -20.184 1.00 21.23 C ATOM 1654 NE ARG A 99 6.603 -9.281 -19.469 1.00 12.14 N ATOM 1655 CZ ARG A 99 7.283 -10.359 -19.079 1.00 15.32 C ATOM 1656 NH1 ARG A 99 6.783 -11.569 -19.287 1.00 61.42 N ATOM 1657 NH2 ARG A 99 8.451 -10.222 -18.458 1.00 60.14 N ATOM 0 H ARG A 99 4.961 -4.487 -21.238 1.00 75.03 H new ATOM 0 HA ARG A 99 2.929 -5.977 -19.787 1.00 73.42 H new ATOM 0 HB2 ARG A 99 4.618 -6.938 -21.477 1.00 12.05 H new ATOM 0 HB3 ARG A 99 5.839 -6.720 -20.238 1.00 12.05 H new ATOM 0 HG2 ARG A 99 4.378 -8.128 -18.693 1.00 30.32 H new ATOM 0 HG3 ARG A 99 3.368 -8.478 -20.081 1.00 30.32 H new ATOM 0 HD2 ARG A 99 4.849 -10.300 -19.992 1.00 21.23 H new ATOM 0 HD3 ARG A 99 5.511 -9.283 -21.257 1.00 21.23 H new ATOM 0 HE ARG A 99 6.994 -8.363 -19.257 1.00 12.14 H new ATOM 0 HH11 ARG A 99 5.878 -11.675 -19.745 1.00 61.42 H new ATOM 0 HH12 ARG A 99 7.303 -12.394 -18.989 1.00 61.42 H new ATOM 0 HH21 ARG A 99 8.828 -9.291 -18.280 1.00 60.14 H new ATOM 0 HH22 ARG A 99 8.970 -11.048 -18.160 1.00 60.14 H new ATOM 1671 N ALA A 100 5.212 -4.283 -18.296 1.00 34.31 N ATOM 1672 CA ALA A 100 5.854 -3.927 -17.034 1.00 62.40 C ATOM 1673 C ALA A 100 4.837 -3.615 -15.947 1.00 63.43 C ATOM 1674 O ALA A 100 5.144 -3.729 -14.761 1.00 74.32 O ATOM 1675 CB ALA A 100 6.796 -2.751 -17.220 1.00 32.23 C ATOM 0 H ALA A 100 5.372 -3.617 -19.052 1.00 34.31 H new ATOM 0 HA ALA A 100 6.430 -4.795 -16.713 1.00 62.40 H new ATOM 0 HB1 ALA A 100 7.262 -2.504 -16.266 1.00 32.23 H new ATOM 0 HB2 ALA A 100 7.567 -3.014 -17.944 1.00 32.23 H new ATOM 0 HB3 ALA A 100 6.235 -1.890 -17.583 1.00 32.23 H new ATOM 1681 N LEU A 101 3.629 -3.222 -16.344 1.00 11.03 N ATOM 1682 CA LEU A 101 2.564 -2.972 -15.380 1.00 71.33 C ATOM 1683 C LEU A 101 2.167 -4.270 -14.680 1.00 12.45 C ATOM 1684 O LEU A 101 1.838 -4.272 -13.497 1.00 63.53 O ATOM 1685 CB LEU A 101 1.356 -2.291 -16.051 1.00 71.42 C ATOM 1686 CG LEU A 101 0.757 -2.997 -17.276 1.00 30.34 C ATOM 1687 CD1 LEU A 101 -0.228 -4.083 -16.867 1.00 43.43 C ATOM 1688 CD2 LEU A 101 0.079 -1.984 -18.187 1.00 73.04 C ATOM 0 H LEU A 101 3.366 -3.071 -17.318 1.00 11.03 H new ATOM 0 HA LEU A 101 2.937 -2.284 -14.621 1.00 71.33 H new ATOM 0 HB2 LEU A 101 0.570 -2.181 -15.304 1.00 71.42 H new ATOM 0 HB3 LEU A 101 1.655 -1.286 -16.350 1.00 71.42 H new ATOM 0 HG LEU A 101 1.572 -3.475 -17.819 1.00 30.34 H new ATOM 0 HD11 LEU A 101 -0.633 -4.562 -17.759 1.00 43.43 H new ATOM 0 HD12 LEU A 101 0.283 -4.827 -16.256 1.00 43.43 H new ATOM 0 HD13 LEU A 101 -1.041 -3.639 -16.293 1.00 43.43 H new ATOM 0 HD21 LEU A 101 -0.342 -2.497 -19.052 1.00 73.04 H new ATOM 0 HD22 LEU A 101 -0.718 -1.480 -17.641 1.00 73.04 H new ATOM 0 HD23 LEU A 101 0.811 -1.249 -18.522 1.00 73.04 H new ATOM 1700 N SER A 102 2.240 -5.380 -15.406 1.00 1.52 N ATOM 1701 CA SER A 102 1.968 -6.683 -14.824 1.00 21.44 C ATOM 1702 C SER A 102 3.193 -7.139 -14.039 1.00 2.41 C ATOM 1703 O SER A 102 3.080 -7.774 -12.994 1.00 0.31 O ATOM 1704 CB SER A 102 1.617 -7.695 -15.921 1.00 13.11 C ATOM 1705 OG SER A 102 1.051 -8.878 -15.374 1.00 33.51 O ATOM 0 H SER A 102 2.485 -5.401 -16.396 1.00 1.52 H new ATOM 0 HA SER A 102 1.114 -6.613 -14.150 1.00 21.44 H new ATOM 0 HB2 SER A 102 0.915 -7.245 -16.622 1.00 13.11 H new ATOM 0 HB3 SER A 102 2.514 -7.947 -16.486 1.00 13.11 H new ATOM 0 HG SER A 102 0.836 -9.503 -16.098 1.00 33.51 H new ATOM 1711 N GLU A 103 4.365 -6.746 -14.534 1.00 24.24 N ATOM 1712 CA GLU A 103 5.641 -7.083 -13.904 1.00 72.44 C ATOM 1713 C GLU A 103 5.855 -6.299 -12.615 1.00 23.25 C ATOM 1714 O GLU A 103 6.908 -6.396 -11.990 1.00 61.50 O ATOM 1715 CB GLU A 103 6.798 -6.802 -14.860 1.00 43.34 C ATOM 1716 CG GLU A 103 6.843 -7.728 -16.058 1.00 53.13 C ATOM 1717 CD GLU A 103 7.940 -7.348 -17.026 1.00 54.34 C ATOM 1718 OE1 GLU A 103 9.114 -7.276 -16.604 1.00 70.24 O ATOM 1719 OE2 GLU A 103 7.637 -7.114 -18.211 1.00 54.35 O ATOM 0 H GLU A 103 4.457 -6.186 -15.381 1.00 24.24 H new ATOM 0 HA GLU A 103 5.612 -8.146 -13.663 1.00 72.44 H new ATOM 0 HB2 GLU A 103 6.724 -5.773 -15.211 1.00 43.34 H new ATOM 0 HB3 GLU A 103 7.737 -6.886 -14.313 1.00 43.34 H new ATOM 0 HG2 GLU A 103 6.997 -8.752 -15.719 1.00 53.13 H new ATOM 0 HG3 GLU A 103 5.882 -7.704 -16.571 1.00 53.13 H new ATOM 1726 N ALA A 104 4.875 -5.498 -12.249 1.00 55.05 N ATOM 1727 CA ALA A 104 4.892 -4.807 -10.974 1.00 61.13 C ATOM 1728 C ALA A 104 3.717 -5.263 -10.126 1.00 54.41 C ATOM 1729 O ALA A 104 3.836 -5.447 -8.914 1.00 52.34 O ATOM 1730 CB ALA A 104 4.845 -3.304 -11.188 1.00 63.44 C ATOM 0 H ALA A 104 4.051 -5.308 -12.820 1.00 55.05 H new ATOM 0 HA ALA A 104 5.817 -5.048 -10.451 1.00 61.13 H new ATOM 0 HB1 ALA A 104 4.858 -2.798 -10.222 1.00 63.44 H new ATOM 0 HB2 ALA A 104 5.711 -2.992 -11.773 1.00 63.44 H new ATOM 0 HB3 ALA A 104 3.932 -3.041 -11.723 1.00 63.44 H new ATOM 1736 N LEU A 105 2.587 -5.472 -10.787 1.00 51.32 N ATOM 1737 CA LEU A 105 1.350 -5.830 -10.116 1.00 53.24 C ATOM 1738 C LEU A 105 1.421 -7.230 -9.511 1.00 65.23 C ATOM 1739 O LEU A 105 1.263 -7.396 -8.303 1.00 24.31 O ATOM 1740 CB LEU A 105 0.180 -5.744 -11.096 1.00 22.33 C ATOM 1741 CG LEU A 105 -1.200 -5.775 -10.450 1.00 41.04 C ATOM 1742 CD1 LEU A 105 -1.368 -4.586 -9.518 1.00 5.21 C ATOM 1743 CD2 LEU A 105 -2.285 -5.786 -11.515 1.00 73.23 C ATOM 0 H LEU A 105 2.504 -5.398 -11.801 1.00 51.32 H new ATOM 0 HA LEU A 105 1.197 -5.122 -9.301 1.00 53.24 H new ATOM 0 HB2 LEU A 105 0.275 -4.824 -11.673 1.00 22.33 H new ATOM 0 HB3 LEU A 105 0.254 -6.572 -11.801 1.00 22.33 H new ATOM 0 HG LEU A 105 -1.293 -6.689 -9.863 1.00 41.04 H new ATOM 0 HD11 LEU A 105 -2.357 -4.618 -9.062 1.00 5.21 H new ATOM 0 HD12 LEU A 105 -0.608 -4.625 -8.738 1.00 5.21 H new ATOM 0 HD13 LEU A 105 -1.260 -3.661 -10.085 1.00 5.21 H new ATOM 0 HD21 LEU A 105 -3.264 -5.808 -11.037 1.00 73.23 H new ATOM 0 HD22 LEU A 105 -2.201 -4.889 -12.129 1.00 73.23 H new ATOM 0 HD23 LEU A 105 -2.168 -6.669 -12.144 1.00 73.23 H new ATOM 1755 N GLU A 106 1.687 -8.235 -10.346 1.00 41.04 N ATOM 1756 CA GLU A 106 1.640 -9.625 -9.897 1.00 51.11 C ATOM 1757 C GLU A 106 2.718 -9.923 -8.857 1.00 11.33 C ATOM 1758 O GLU A 106 2.645 -10.933 -8.155 1.00 43.24 O ATOM 1759 CB GLU A 106 1.791 -10.599 -11.072 1.00 1.52 C ATOM 1760 CG GLU A 106 3.135 -10.512 -11.771 1.00 23.30 C ATOM 1761 CD GLU A 106 3.663 -11.864 -12.203 1.00 10.21 C ATOM 1762 OE1 GLU A 106 3.042 -12.499 -13.081 1.00 50.53 O ATOM 1763 OE2 GLU A 106 4.698 -12.300 -11.659 1.00 73.55 O ATOM 0 H GLU A 106 1.935 -8.114 -11.328 1.00 41.04 H new ATOM 0 HA GLU A 106 0.662 -9.766 -9.438 1.00 51.11 H new ATOM 0 HB2 GLU A 106 1.646 -11.617 -10.709 1.00 1.52 H new ATOM 0 HB3 GLU A 106 1.001 -10.404 -11.798 1.00 1.52 H new ATOM 0 HG2 GLU A 106 3.043 -9.867 -12.645 1.00 23.30 H new ATOM 0 HG3 GLU A 106 3.857 -10.042 -11.103 1.00 23.30 H new ATOM 1770 N LYS A 107 3.713 -9.047 -8.752 1.00 40.22 N ATOM 1771 CA LYS A 107 4.822 -9.279 -7.836 1.00 72.42 C ATOM 1772 C LYS A 107 4.380 -9.002 -6.406 1.00 2.34 C ATOM 1773 O LYS A 107 4.665 -9.783 -5.495 1.00 3.03 O ATOM 1774 CB LYS A 107 6.031 -8.402 -8.183 1.00 2.54 C ATOM 1775 CG LYS A 107 6.284 -8.226 -9.677 1.00 1.54 C ATOM 1776 CD LYS A 107 6.235 -9.533 -10.455 1.00 61.34 C ATOM 1777 CE LYS A 107 7.308 -10.515 -10.022 1.00 61.23 C ATOM 1778 NZ LYS A 107 7.270 -11.753 -10.846 1.00 74.31 N ATOM 0 H LYS A 107 3.773 -8.179 -9.284 1.00 40.22 H new ATOM 0 HA LYS A 107 5.123 -10.322 -7.932 1.00 72.42 H new ATOM 0 HB2 LYS A 107 5.890 -7.419 -7.734 1.00 2.54 H new ATOM 0 HB3 LYS A 107 6.920 -8.836 -7.727 1.00 2.54 H new ATOM 0 HG2 LYS A 107 5.542 -7.540 -10.086 1.00 1.54 H new ATOM 0 HG3 LYS A 107 7.260 -7.762 -9.821 1.00 1.54 H new ATOM 0 HD2 LYS A 107 5.255 -9.992 -10.325 1.00 61.34 H new ATOM 0 HD3 LYS A 107 6.349 -9.322 -11.518 1.00 61.34 H new ATOM 0 HE2 LYS A 107 8.289 -10.047 -10.109 1.00 61.23 H new ATOM 0 HE3 LYS A 107 7.168 -10.770 -8.971 1.00 61.23 H new ATOM 0 HZ1 LYS A 107 7.469 -12.577 -10.244 1.00 74.31 H new ATOM 0 HZ2 LYS A 107 6.328 -11.856 -11.274 1.00 74.31 H new ATOM 0 HZ3 LYS A 107 7.987 -11.692 -11.597 1.00 74.31 H new ATOM 1792 N LEU A 108 3.653 -7.903 -6.218 1.00 15.32 N ATOM 1793 CA LEU A 108 3.163 -7.536 -4.897 1.00 4.30 C ATOM 1794 C LEU A 108 2.053 -8.490 -4.465 1.00 11.12 C ATOM 1795 O LEU A 108 1.763 -8.621 -3.277 1.00 33.14 O ATOM 1796 CB LEU A 108 2.701 -6.067 -4.865 1.00 35.04 C ATOM 1797 CG LEU A 108 1.594 -5.677 -5.850 1.00 24.42 C ATOM 1798 CD1 LEU A 108 0.217 -5.961 -5.267 1.00 23.11 C ATOM 1799 CD2 LEU A 108 1.719 -4.211 -6.232 1.00 75.15 C ATOM 0 H LEU A 108 3.393 -7.255 -6.962 1.00 15.32 H new ATOM 0 HA LEU A 108 3.981 -7.627 -4.182 1.00 4.30 H new ATOM 0 HB2 LEU A 108 2.356 -5.840 -3.856 1.00 35.04 H new ATOM 0 HB3 LEU A 108 3.567 -5.433 -5.056 1.00 35.04 H new ATOM 0 HG LEU A 108 1.710 -6.284 -6.748 1.00 24.42 H new ATOM 0 HD11 LEU A 108 -0.549 -5.675 -5.987 1.00 23.11 H new ATOM 0 HD12 LEU A 108 0.128 -7.025 -5.046 1.00 23.11 H new ATOM 0 HD13 LEU A 108 0.085 -5.387 -4.350 1.00 23.11 H new ATOM 0 HD21 LEU A 108 0.926 -3.949 -6.932 1.00 75.15 H new ATOM 0 HD22 LEU A 108 1.633 -3.593 -5.338 1.00 75.15 H new ATOM 0 HD23 LEU A 108 2.688 -4.038 -6.700 1.00 75.15 H new ATOM 1811 N TRP A 109 1.452 -9.173 -5.440 1.00 72.51 N ATOM 1812 CA TRP A 109 0.472 -10.218 -5.160 1.00 60.23 C ATOM 1813 C TRP A 109 1.107 -11.335 -4.340 1.00 1.51 C ATOM 1814 O TRP A 109 0.443 -11.967 -3.521 1.00 23.44 O ATOM 1815 CB TRP A 109 -0.096 -10.797 -6.462 1.00 3.31 C ATOM 1816 CG TRP A 109 -1.171 -9.962 -7.091 1.00 60.13 C ATOM 1817 CD1 TRP A 109 -1.258 -8.601 -7.107 1.00 33.12 C ATOM 1818 CD2 TRP A 109 -2.314 -10.446 -7.805 1.00 43.51 C ATOM 1819 NE1 TRP A 109 -2.384 -8.207 -7.788 1.00 63.42 N ATOM 1820 CE2 TRP A 109 -3.051 -9.323 -8.226 1.00 54.50 C ATOM 1821 CE3 TRP A 109 -2.785 -11.721 -8.130 1.00 70.31 C ATOM 1822 CZ2 TRP A 109 -4.236 -9.439 -8.954 1.00 73.40 C ATOM 1823 CZ3 TRP A 109 -3.958 -11.835 -8.851 1.00 70.31 C ATOM 1824 CH2 TRP A 109 -4.670 -10.700 -9.258 1.00 14.11 C ATOM 0 H TRP A 109 1.629 -9.019 -6.433 1.00 72.51 H new ATOM 0 HA TRP A 109 -0.342 -9.771 -4.590 1.00 60.23 H new ATOM 0 HB2 TRP A 109 0.718 -10.920 -7.177 1.00 3.31 H new ATOM 0 HB3 TRP A 109 -0.495 -11.791 -6.260 1.00 3.31 H new ATOM 0 HD1 TRP A 109 -0.545 -7.930 -6.650 1.00 33.12 H new ATOM 0 HE1 TRP A 109 -2.676 -7.242 -7.943 1.00 63.42 H new ATOM 0 HE3 TRP A 109 -2.241 -12.602 -7.823 1.00 70.31 H new ATOM 0 HZ2 TRP A 109 -4.790 -8.566 -9.266 1.00 73.40 H new ATOM 0 HZ3 TRP A 109 -4.332 -12.816 -9.105 1.00 70.31 H new ATOM 0 HH2 TRP A 109 -5.581 -10.823 -9.824 1.00 14.11 H new ATOM 1835 N ARG A 110 2.397 -11.566 -4.565 1.00 71.52 N ATOM 1836 CA ARG A 110 3.131 -12.592 -3.835 1.00 51.24 C ATOM 1837 C ARG A 110 3.775 -12.011 -2.584 1.00 4.14 C ATOM 1838 O ARG A 110 3.692 -12.600 -1.504 1.00 2.54 O ATOM 1839 CB ARG A 110 4.202 -13.246 -4.719 1.00 12.12 C ATOM 1840 CG ARG A 110 3.658 -14.311 -5.661 1.00 62.01 C ATOM 1841 CD ARG A 110 2.767 -13.719 -6.743 1.00 42.52 C ATOM 1842 NE ARG A 110 2.023 -14.750 -7.466 1.00 25.02 N ATOM 1843 CZ ARG A 110 1.170 -14.502 -8.455 1.00 15.50 C ATOM 1844 NH1 ARG A 110 1.008 -13.264 -8.914 1.00 50.13 N ATOM 1845 NH2 ARG A 110 0.483 -15.495 -8.997 1.00 50.41 N ATOM 0 H ARG A 110 2.956 -11.055 -5.249 1.00 71.52 H new ATOM 0 HA ARG A 110 2.414 -13.358 -3.539 1.00 51.24 H new ATOM 0 HB2 ARG A 110 4.696 -12.472 -5.307 1.00 12.12 H new ATOM 0 HB3 ARG A 110 4.963 -13.694 -4.080 1.00 12.12 H new ATOM 0 HG2 ARG A 110 4.489 -14.841 -6.126 1.00 62.01 H new ATOM 0 HG3 ARG A 110 3.092 -15.046 -5.088 1.00 62.01 H new ATOM 0 HD2 ARG A 110 2.067 -13.016 -6.291 1.00 42.52 H new ATOM 0 HD3 ARG A 110 3.378 -13.153 -7.446 1.00 42.52 H new ATOM 0 HE ARG A 110 2.168 -15.722 -7.194 1.00 25.02 H new ATOM 0 HH11 ARG A 110 1.541 -12.495 -8.507 1.00 50.13 H new ATOM 0 HH12 ARG A 110 0.351 -13.083 -9.673 1.00 50.13 H new ATOM 0 HH21 ARG A 110 0.609 -16.448 -8.656 1.00 50.41 H new ATOM 0 HH22 ARG A 110 -0.172 -15.307 -9.756 1.00 50.41 H new ATOM 1859 N ARG A 111 4.402 -10.848 -2.726 1.00 54.25 N ATOM 1860 CA ARG A 111 5.055 -10.186 -1.601 1.00 3.30 C ATOM 1861 C ARG A 111 4.060 -9.925 -0.474 1.00 64.20 C ATOM 1862 O ARG A 111 4.372 -10.114 0.702 1.00 12.11 O ATOM 1863 CB ARG A 111 5.703 -8.874 -2.060 1.00 12.42 C ATOM 1864 CG ARG A 111 6.351 -8.074 -0.936 1.00 54.43 C ATOM 1865 CD ARG A 111 7.457 -8.856 -0.243 1.00 12.44 C ATOM 1866 NE ARG A 111 8.116 -8.060 0.794 1.00 24.41 N ATOM 1867 CZ ARG A 111 8.393 -8.499 2.023 1.00 40.45 C ATOM 1868 NH1 ARG A 111 8.089 -9.742 2.374 1.00 43.34 N ATOM 1869 NH2 ARG A 111 8.987 -7.695 2.896 1.00 64.42 N ATOM 0 H ARG A 111 4.472 -10.343 -3.610 1.00 54.25 H new ATOM 0 HA ARG A 111 5.834 -10.846 -1.219 1.00 3.30 H new ATOM 0 HB2 ARG A 111 6.458 -9.098 -2.814 1.00 12.42 H new ATOM 0 HB3 ARG A 111 4.945 -8.256 -2.541 1.00 12.42 H new ATOM 0 HG2 ARG A 111 6.760 -7.148 -1.340 1.00 54.43 H new ATOM 0 HG3 ARG A 111 5.592 -7.795 -0.205 1.00 54.43 H new ATOM 0 HD2 ARG A 111 7.040 -9.759 0.202 1.00 12.44 H new ATOM 0 HD3 ARG A 111 8.194 -9.175 -0.980 1.00 12.44 H new ATOM 0 HE ARG A 111 8.382 -7.103 0.561 1.00 24.41 H new ATOM 0 HH11 ARG A 111 7.642 -10.366 1.703 1.00 43.34 H new ATOM 0 HH12 ARG A 111 8.303 -10.073 3.315 1.00 43.34 H new ATOM 0 HH21 ARG A 111 9.232 -6.742 2.627 1.00 64.42 H new ATOM 0 HH22 ARG A 111 9.199 -8.030 3.836 1.00 64.42 H new ATOM 1883 N HIS A 112 2.851 -9.519 -0.837 1.00 24.12 N ATOM 1884 CA HIS A 112 1.829 -9.227 0.156 1.00 42.14 C ATOM 1885 C HIS A 112 1.052 -10.496 0.521 1.00 50.13 C ATOM 1886 O HIS A 112 0.146 -10.461 1.353 1.00 41.40 O ATOM 1887 CB HIS A 112 0.870 -8.148 -0.364 1.00 54.03 C ATOM 1888 CG HIS A 112 0.213 -7.342 0.719 1.00 53.24 C ATOM 1889 ND1 HIS A 112 -0.646 -7.884 1.651 1.00 0.44 N ATOM 1890 CD2 HIS A 112 0.307 -6.024 1.020 1.00 75.42 C ATOM 1891 CE1 HIS A 112 -1.054 -6.938 2.477 1.00 44.33 C ATOM 1892 NE2 HIS A 112 -0.490 -5.798 2.116 1.00 11.11 N ATOM 0 H HIS A 112 2.556 -9.385 -1.804 1.00 24.12 H new ATOM 0 HA HIS A 112 2.321 -8.854 1.054 1.00 42.14 H new ATOM 0 HB2 HIS A 112 1.419 -7.474 -1.022 1.00 54.03 H new ATOM 0 HB3 HIS A 112 0.098 -8.624 -0.968 1.00 54.03 H new ATOM 0 HD1 HIS A 112 -0.924 -8.864 1.696 1.00 0.44 H new ATOM 0 HD2 HIS A 112 0.899 -5.288 0.496 1.00 75.42 H new ATOM 0 HE1 HIS A 112 -1.733 -7.073 3.306 1.00 44.33 H new ATOM 1901 N CYS A 113 1.413 -11.614 -0.097 1.00 32.35 N ATOM 1902 CA CYS A 113 0.755 -12.885 0.185 1.00 20.03 C ATOM 1903 C CYS A 113 1.507 -13.630 1.282 1.00 62.41 C ATOM 1904 O CYS A 113 0.905 -14.324 2.105 1.00 72.33 O ATOM 1905 CB CYS A 113 0.677 -13.746 -1.075 1.00 70.32 C ATOM 1906 SG CYS A 113 -0.344 -15.224 -0.890 1.00 22.23 S ATOM 0 H CYS A 113 2.155 -11.667 -0.795 1.00 32.35 H new ATOM 0 HA CYS A 113 -0.260 -12.679 0.524 1.00 20.03 H new ATOM 0 HB2 CYS A 113 0.281 -13.142 -1.892 1.00 70.32 H new ATOM 0 HB3 CYS A 113 1.685 -14.046 -1.361 1.00 70.32 H new ATOM 0 HG CYS A 113 -0.352 -15.889 -2.007 1.00 22.23 H new ATOM 1912 N ARG A 114 2.826 -13.475 1.297 1.00 54.23 N ATOM 1913 CA ARG A 114 3.647 -14.059 2.350 1.00 41.44 C ATOM 1914 C ARG A 114 3.391 -13.318 3.660 1.00 43.11 C ATOM 1915 O ARG A 114 3.627 -13.837 4.744 1.00 55.32 O ATOM 1916 CB ARG A 114 5.133 -13.982 1.980 1.00 73.34 C ATOM 1917 CG ARG A 114 5.450 -14.505 0.587 1.00 1.42 C ATOM 1918 CD ARG A 114 5.080 -15.973 0.421 1.00 65.42 C ATOM 1919 NE ARG A 114 5.986 -16.866 1.141 1.00 44.52 N ATOM 1920 CZ ARG A 114 7.150 -17.296 0.653 1.00 54.11 C ATOM 1921 NH1 ARG A 114 7.564 -16.887 -0.540 1.00 33.14 N ATOM 1922 NH2 ARG A 114 7.897 -18.138 1.356 1.00 51.11 N ATOM 0 H ARG A 114 3.348 -12.952 0.594 1.00 54.23 H new ATOM 0 HA ARG A 114 3.380 -15.109 2.469 1.00 41.44 H new ATOM 0 HB2 ARG A 114 5.462 -12.945 2.052 1.00 73.34 H new ATOM 0 HB3 ARG A 114 5.709 -14.550 2.710 1.00 73.34 H new ATOM 0 HG2 ARG A 114 4.912 -13.912 -0.152 1.00 1.42 H new ATOM 0 HG3 ARG A 114 6.514 -14.376 0.387 1.00 1.42 H new ATOM 0 HD2 ARG A 114 4.062 -16.130 0.777 1.00 65.42 H new ATOM 0 HD3 ARG A 114 5.090 -16.229 -0.639 1.00 65.42 H new ATOM 0 HE ARG A 114 5.711 -17.179 2.072 1.00 44.52 H new ATOM 0 HH11 ARG A 114 6.991 -16.243 -1.085 1.00 33.14 H new ATOM 0 HH12 ARG A 114 8.455 -17.217 -0.911 1.00 33.14 H new ATOM 0 HH21 ARG A 114 7.581 -18.458 2.272 1.00 51.11 H new ATOM 0 HH22 ARG A 114 8.787 -18.466 0.981 1.00 51.11 H new ATOM 1936 N LEU A 115 2.888 -12.095 3.537 1.00 24.11 N ATOM 1937 CA LEU A 115 2.505 -11.295 4.693 1.00 2.31 C ATOM 1938 C LEU A 115 1.007 -11.463 4.964 1.00 31.05 C ATOM 1939 O LEU A 115 0.415 -10.748 5.772 1.00 33.14 O ATOM 1940 CB LEU A 115 2.846 -9.822 4.432 1.00 1.44 C ATOM 1941 CG LEU A 115 2.684 -8.882 5.632 1.00 35.03 C ATOM 1942 CD1 LEU A 115 3.650 -9.258 6.747 1.00 50.53 C ATOM 1943 CD2 LEU A 115 2.887 -7.435 5.209 1.00 5.25 C ATOM 0 H LEU A 115 2.735 -11.633 2.640 1.00 24.11 H new ATOM 0 HA LEU A 115 3.056 -11.632 5.571 1.00 2.31 H new ATOM 0 HB2 LEU A 115 3.877 -9.763 4.083 1.00 1.44 H new ATOM 0 HB3 LEU A 115 2.214 -9.459 3.621 1.00 1.44 H new ATOM 0 HG LEU A 115 1.669 -8.988 6.014 1.00 35.03 H new ATOM 0 HD11 LEU A 115 3.517 -8.578 7.588 1.00 50.53 H new ATOM 0 HD12 LEU A 115 3.451 -10.279 7.072 1.00 50.53 H new ATOM 0 HD13 LEU A 115 4.674 -9.187 6.381 1.00 50.53 H new ATOM 0 HD21 LEU A 115 2.768 -6.783 6.074 1.00 5.25 H new ATOM 0 HD22 LEU A 115 3.889 -7.313 4.798 1.00 5.25 H new ATOM 0 HD23 LEU A 115 2.149 -7.171 4.451 1.00 5.25 H new ATOM 1955 N ALA A 116 0.400 -12.420 4.273 1.00 71.10 N ATOM 1956 CA ALA A 116 -1.021 -12.696 4.428 1.00 12.32 C ATOM 1957 C ALA A 116 -1.241 -14.008 5.168 1.00 32.53 C ATOM 1958 O ALA A 116 -2.045 -14.081 6.093 1.00 51.14 O ATOM 1959 CB ALA A 116 -1.706 -12.731 3.070 1.00 60.41 C ATOM 0 H ALA A 116 0.873 -13.020 3.597 1.00 71.10 H new ATOM 0 HA ALA A 116 -1.461 -11.894 5.020 1.00 12.32 H new ATOM 0 HB1 ALA A 116 -2.768 -12.938 3.203 1.00 60.41 H new ATOM 0 HB2 ALA A 116 -1.584 -11.767 2.576 1.00 60.41 H new ATOM 0 HB3 ALA A 116 -1.258 -13.513 2.456 1.00 60.41 H new ATOM 1965 N ARG A 117 -0.523 -15.045 4.754 1.00 60.31 N ATOM 1966 CA ARG A 117 -0.646 -16.354 5.385 1.00 32.20 C ATOM 1967 C ARG A 117 0.622 -16.724 6.144 1.00 54.21 C ATOM 1968 O ARG A 117 0.746 -17.840 6.654 1.00 55.35 O ATOM 1969 CB ARG A 117 -0.977 -17.428 4.346 1.00 51.13 C ATOM 1970 CG ARG A 117 -0.109 -17.376 3.098 1.00 74.34 C ATOM 1971 CD ARG A 117 -0.279 -18.629 2.249 1.00 13.33 C ATOM 1972 NE ARG A 117 0.707 -19.655 2.583 1.00 15.25 N ATOM 1973 CZ ARG A 117 0.548 -20.581 3.533 1.00 42.15 C ATOM 1974 NH1 ARG A 117 -0.595 -20.659 4.218 1.00 4.22 N ATOM 1975 NH2 ARG A 117 1.526 -21.446 3.778 1.00 30.15 N ATOM 0 H ARG A 117 0.148 -15.006 3.987 1.00 60.31 H new ATOM 0 HA ARG A 117 -1.465 -16.299 6.102 1.00 32.20 H new ATOM 0 HB2 ARG A 117 -0.871 -18.410 4.808 1.00 51.13 H new ATOM 0 HB3 ARG A 117 -2.022 -17.325 4.053 1.00 51.13 H new ATOM 0 HG2 ARG A 117 -0.370 -16.497 2.508 1.00 74.34 H new ATOM 0 HG3 ARG A 117 0.937 -17.268 3.385 1.00 74.34 H new ATOM 0 HD2 ARG A 117 -1.282 -19.030 2.392 1.00 13.33 H new ATOM 0 HD3 ARG A 117 -0.187 -18.368 1.195 1.00 13.33 H new ATOM 0 HE ARG A 117 1.579 -19.665 2.053 1.00 15.25 H new ATOM 0 HH11 ARG A 117 -1.355 -20.009 4.018 1.00 4.22 H new ATOM 0 HH12 ARG A 117 -0.708 -21.369 4.942 1.00 4.22 H new ATOM 0 HH21 ARG A 117 2.393 -21.401 3.242 1.00 30.15 H new ATOM 0 HH22 ARG A 117 1.410 -22.155 4.502 1.00 30.15 H new ATOM 1989 N GLY A 118 1.553 -15.788 6.225 1.00 3.21 N ATOM 1990 CA GLY A 118 2.788 -16.034 6.943 1.00 30.22 C ATOM 1991 C GLY A 118 3.840 -16.687 6.067 1.00 25.01 C ATOM 1992 O GLY A 118 3.615 -16.904 4.871 1.00 42.44 O ATOM 0 H GLY A 118 1.477 -14.861 5.807 1.00 3.21 H new ATOM 0 HA2 GLY A 118 3.175 -15.092 7.331 1.00 30.22 H new ATOM 0 HA3 GLY A 118 2.585 -16.673 7.802 1.00 30.22 H new ATOM 1996 N SER A 119 4.980 -17.003 6.656 1.00 11.00 N ATOM 1997 CA SER A 119 6.066 -17.637 5.929 1.00 35.12 C ATOM 1998 C SER A 119 6.096 -19.140 6.211 1.00 2.13 C ATOM 1999 O SER A 119 6.711 -19.551 7.214 1.00 42.31 O ATOM 2000 CB SER A 119 7.401 -16.988 6.305 1.00 71.05 C ATOM 2001 OG SER A 119 7.416 -15.610 5.949 1.00 63.40 O ATOM 2002 OXT SER A 119 5.495 -19.907 5.425 1.00 0.00 O ATOM 0 H SER A 119 5.178 -16.830 7.641 1.00 11.00 H new ATOM 0 HA SER A 119 5.901 -17.497 4.861 1.00 35.12 H new ATOM 0 HB2 SER A 119 7.571 -17.092 7.377 1.00 71.05 H new ATOM 0 HB3 SER A 119 8.216 -17.507 5.801 1.00 71.05 H new ATOM 0 HG SER A 119 8.278 -15.217 6.200 1.00 63.40 H new TER 2008 SER A 119