USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 387 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -177:sc= -0.08 (180deg=-0.0941) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00239 USER MOD Single : A 25 THR OG1 : rot -52:sc= 0.278 USER MOD Single : A 28 TYR OH : rot 15:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -133:sc= -2.82! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.812 -14.238 -9.441 0.01 0.01 N ATOM 2 CA ALA A 1 -8.387 -14.758 -8.175 1.00 0.00 C ATOM 3 C ALA A 1 -8.147 -16.270 -8.061 1.00 0.00 C ATOM 4 O ALA A 1 -8.908 -17.055 -8.628 1.00 0.00 O ATOM 5 CB ALA A 1 -9.879 -14.384 -8.047 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.982 -13.214 -9.505 0.01 0.01 H new ATOM 0 H2 ALA A 1 -6.788 -14.421 -9.458 0.01 0.01 H new ATOM 0 H3 ALA A 1 -8.262 -14.714 -10.248 0.01 0.01 H new ATOM 0 HA ALA A 1 -7.877 -14.285 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.274 -14.778 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.984 -13.299 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.434 -14.811 -8.883 1.00 0.00 H new ATOM 13 N LEU A 2 -7.068 -16.686 -7.380 1.00 0.00 N ATOM 14 CA LEU A 2 -6.676 -18.100 -7.176 1.00 0.00 C ATOM 15 C LEU A 2 -5.593 -18.301 -6.087 1.00 0.00 C ATOM 16 O LEU A 2 -5.824 -19.004 -5.102 1.00 0.00 O ATOM 17 CB LEU A 2 -6.193 -18.687 -8.527 1.00 0.00 C ATOM 18 CG LEU A 2 -7.142 -19.775 -9.063 1.00 0.00 C ATOM 19 CD1 LEU A 2 -6.992 -19.907 -10.576 1.00 0.00 C ATOM 20 CD2 LEU A 2 -6.850 -21.126 -8.413 1.00 0.00 C ATOM 0 H LEU A 2 -6.421 -16.032 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.558 -18.628 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.112 -17.885 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.195 -19.107 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.161 -19.477 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.668 -20.679 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.236 -18.956 -11.050 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.965 -20.180 -10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.534 -21.876 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.823 -21.420 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.984 -21.047 -7.334 1.00 0.00 H new ATOM 32 N VAL A 3 -4.428 -17.659 -6.247 1.00 0.00 N ATOM 33 CA VAL A 3 -3.257 -17.727 -5.328 1.00 0.00 C ATOM 34 C VAL A 3 -2.727 -16.334 -4.932 1.00 0.00 C ATOM 35 O VAL A 3 -1.777 -16.184 -4.164 1.00 0.00 O ATOM 36 CB VAL A 3 -2.155 -18.629 -5.934 1.00 0.00 C ATOM 37 CG1 VAL A 3 -1.342 -17.940 -7.039 1.00 0.00 C ATOM 38 CG2 VAL A 3 -1.193 -19.197 -4.883 1.00 0.00 C ATOM 0 H VAL A 3 -4.257 -17.051 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.592 -18.181 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.710 -19.454 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.588 -18.629 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.007 -17.646 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.853 -17.055 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.445 -19.820 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.698 -18.377 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.752 -19.798 -4.165 1.00 0.00 H new ATOM 48 N ASP A 4 -3.403 -15.288 -5.410 1.00 0.00 N ATOM 49 CA ASP A 4 -3.210 -13.869 -5.098 1.00 0.00 C ATOM 50 C ASP A 4 -3.719 -13.458 -3.704 1.00 0.00 C ATOM 51 O ASP A 4 -3.867 -12.270 -3.466 1.00 0.00 O ATOM 52 CB ASP A 4 -3.871 -13.029 -6.219 1.00 0.00 C ATOM 53 CG ASP A 4 -5.411 -13.134 -6.302 1.00 0.00 C ATOM 54 OD1 ASP A 4 -5.940 -14.264 -6.186 1.00 0.00 O ATOM 55 OD2 ASP A 4 -6.080 -12.109 -6.570 1.00 0.00 O ATOM 0 H ASP A 4 -4.161 -15.421 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.138 -13.677 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.602 -11.983 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.450 -13.336 -7.177 1.00 0.00 H new ATOM 60 N GLU A 5 -3.976 -14.382 -2.765 1.00 0.00 N ATOM 61 CA GLU A 5 -4.422 -14.080 -1.376 1.00 0.00 C ATOM 62 C GLU A 5 -3.550 -13.049 -0.659 1.00 0.00 C ATOM 63 O GLU A 5 -4.071 -12.107 -0.062 1.00 0.00 O ATOM 64 CB GLU A 5 -4.466 -15.351 -0.505 1.00 0.00 C ATOM 65 CG GLU A 5 -5.894 -15.808 -0.228 1.00 0.00 C ATOM 66 CD GLU A 5 -5.879 -16.981 0.744 1.00 0.00 C ATOM 67 OE1 GLU A 5 -5.540 -18.108 0.316 1.00 0.00 O ATOM 68 OE2 GLU A 5 -6.212 -16.776 1.933 1.00 0.00 O ATOM 0 H GLU A 5 -3.881 -15.382 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.421 -13.661 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.920 -16.151 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.957 -15.160 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.475 -14.985 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.379 -16.101 -1.159 1.00 0.00 H new ATOM 75 N VAL A 6 -2.227 -13.202 -0.764 1.00 0.00 N ATOM 76 CA VAL A 6 -1.237 -12.235 -0.247 1.00 0.00 C ATOM 77 C VAL A 6 -1.429 -10.871 -0.900 1.00 0.00 C ATOM 78 O VAL A 6 -1.567 -9.871 -0.200 1.00 0.00 O ATOM 79 CB VAL A 6 0.206 -12.726 -0.502 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.292 -11.656 -0.301 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.544 -13.915 0.407 1.00 0.00 C ATOM 0 H VAL A 6 -1.801 -14.011 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.394 -12.147 0.828 1.00 0.00 H new ATOM 0 HB VAL A 6 0.215 -13.009 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.272 -12.090 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.116 -10.826 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.259 -11.293 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.564 -14.245 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.455 -13.612 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.147 -14.734 0.207 1.00 0.00 H new ATOM 91 N LYS A 7 -1.492 -10.836 -2.236 1.00 0.00 N ATOM 92 CA LYS A 7 -1.720 -9.598 -2.973 1.00 0.00 C ATOM 93 C LYS A 7 -3.043 -8.940 -2.554 1.00 0.00 C ATOM 94 O LYS A 7 -3.037 -7.753 -2.263 1.00 0.00 O ATOM 95 CB LYS A 7 -1.665 -9.818 -4.501 1.00 0.00 C ATOM 96 CG LYS A 7 -0.238 -9.781 -5.075 1.00 0.00 C ATOM 97 CD LYS A 7 0.522 -11.119 -4.994 1.00 0.00 C ATOM 98 CE LYS A 7 2.031 -10.860 -4.879 1.00 0.00 C ATOM 99 NZ LYS A 7 2.834 -12.073 -5.149 1.00 0.00 N ATOM 0 H LYS A 7 -1.387 -11.660 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.909 -8.916 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.119 -10.780 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.266 -9.053 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.288 -9.470 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.334 -9.021 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.176 -11.691 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.314 -11.719 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.317 -10.075 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.259 -10.492 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.845 -11.847 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.583 -12.815 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.639 -12.411 -6.113 1.00 0.00 H new ATOM 113 N ASP A 8 -4.160 -9.669 -2.449 1.00 0.00 N ATOM 114 CA ASP A 8 -5.487 -9.110 -2.161 1.00 0.00 C ATOM 115 C ASP A 8 -5.541 -8.458 -0.774 1.00 0.00 C ATOM 116 O ASP A 8 -6.023 -7.337 -0.651 1.00 0.00 O ATOM 117 CB ASP A 8 -6.565 -10.202 -2.322 1.00 0.00 C ATOM 118 CG ASP A 8 -7.908 -9.638 -2.833 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.023 -9.348 -4.049 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.857 -9.502 -2.023 1.00 0.00 O ATOM 0 H ASP A 8 -4.168 -10.682 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.690 -8.318 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.206 -10.962 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.723 -10.695 -1.363 1.00 0.00 H new ATOM 125 N MET A 9 -4.974 -9.101 0.254 1.00 0.00 N ATOM 126 CA MET A 9 -4.791 -8.503 1.585 1.00 0.00 C ATOM 127 C MET A 9 -3.955 -7.201 1.550 1.00 0.00 C ATOM 128 O MET A 9 -4.438 -6.127 1.904 1.00 0.00 O ATOM 129 CB MET A 9 -4.147 -9.576 2.491 1.00 0.00 C ATOM 130 CG MET A 9 -4.249 -9.271 3.989 1.00 0.00 C ATOM 131 SD MET A 9 -5.559 -10.170 4.877 1.00 0.00 S ATOM 132 CE MET A 9 -7.044 -9.614 3.998 1.00 0.00 C ATOM 0 H MET A 9 -4.626 -10.058 0.187 1.00 0.00 H new ATOM 0 HA MET A 9 -5.760 -8.201 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.623 -10.537 2.293 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.096 -9.680 2.223 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.292 -9.502 4.456 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.415 -8.201 4.115 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.928 -10.043 4.469 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.104 -8.526 4.037 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.994 -9.938 2.958 1.00 0.00 H new ATOM 142 N GLU A 10 -2.704 -7.318 1.098 1.00 0.00 N ATOM 143 CA GLU A 10 -1.778 -6.173 0.907 1.00 0.00 C ATOM 144 C GLU A 10 -2.419 -5.018 0.103 1.00 0.00 C ATOM 145 O GLU A 10 -2.256 -3.850 0.455 1.00 0.00 O ATOM 146 CB GLU A 10 -0.467 -6.599 0.233 1.00 0.00 C ATOM 147 CG GLU A 10 0.715 -6.744 1.191 1.00 0.00 C ATOM 148 CD GLU A 10 0.477 -7.751 2.310 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.598 -8.969 2.060 1.00 0.00 O ATOM 150 OE2 GLU A 10 0.237 -7.315 3.459 1.00 0.00 O ATOM 0 H GLU A 10 -2.290 -8.216 0.848 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.556 -5.809 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.626 -7.550 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.211 -5.867 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.596 -7.046 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.936 -5.771 1.631 1.00 0.00 H new ATOM 157 N ILE A 11 -3.253 -5.341 -0.886 1.00 0.00 N ATOM 158 CA ILE A 11 -4.022 -4.379 -1.697 1.00 0.00 C ATOM 159 C ILE A 11 -5.172 -3.752 -0.884 1.00 0.00 C ATOM 160 O ILE A 11 -5.356 -2.536 -0.924 1.00 0.00 O ATOM 161 CB ILE A 11 -4.567 -5.064 -2.975 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.419 -5.299 -3.982 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.691 -4.245 -3.643 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.735 -6.380 -5.027 1.00 0.00 C ATOM 0 H ILE A 11 -3.422 -6.309 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.348 -3.575 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.994 -6.020 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.198 -4.363 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.520 -5.584 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.040 -4.766 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.519 -4.126 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.309 -3.263 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.886 -6.493 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.927 -7.328 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.616 -6.087 -5.598 1.00 0.00 H new ATOM 176 N ALA A 12 -5.944 -4.504 -0.091 1.00 0.00 N ATOM 177 CA ALA A 12 -6.935 -3.940 0.829 1.00 0.00 C ATOM 178 C ALA A 12 -6.294 -3.005 1.874 1.00 0.00 C ATOM 179 O ALA A 12 -6.904 -2.016 2.292 1.00 0.00 O ATOM 180 CB ALA A 12 -7.682 -5.101 1.500 1.00 0.00 C ATOM 0 H ALA A 12 -5.898 -5.523 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.635 -3.322 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.426 -4.704 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.178 -5.703 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.973 -5.721 2.048 1.00 0.00 H new ATOM 186 N ARG A 13 -5.032 -3.251 2.241 1.00 0.00 N ATOM 187 CA ARG A 13 -4.248 -2.317 3.043 1.00 0.00 C ATOM 188 C ARG A 13 -4.090 -0.936 2.363 1.00 0.00 C ATOM 189 O ARG A 13 -4.214 0.083 3.046 1.00 0.00 O ATOM 190 CB ARG A 13 -2.919 -2.957 3.495 1.00 0.00 C ATOM 191 CG ARG A 13 -2.978 -3.547 4.917 1.00 0.00 C ATOM 192 CD ARG A 13 -3.367 -2.556 6.035 1.00 0.00 C ATOM 193 NE ARG A 13 -4.385 -3.126 6.943 1.00 0.00 N ATOM 194 CZ ARG A 13 -5.701 -2.976 6.909 1.00 0.00 C ATOM 195 NH1 ARG A 13 -6.309 -2.228 6.030 1.00 0.00 N ATOM 196 NH2 ARG A 13 -6.456 -3.590 7.776 1.00 0.00 N ATOM 0 H ARG A 13 -4.530 -4.102 1.989 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.806 -2.104 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.647 -3.745 2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.130 -2.206 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.693 -4.370 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.003 -3.972 5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.479 -2.287 6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.750 -1.638 5.590 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.026 -3.713 7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.768 -1.726 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.326 -2.146 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.034 -4.190 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.469 -3.471 7.745 1.00 0.00 H new ATOM 210 N LEU A 14 -3.940 -0.876 1.030 1.00 0.00 N ATOM 211 CA LEU A 14 -4.019 0.391 0.266 1.00 0.00 C ATOM 212 C LEU A 14 -5.394 1.066 0.288 1.00 0.00 C ATOM 213 O LEU A 14 -5.476 2.295 0.339 1.00 0.00 O ATOM 214 CB LEU A 14 -3.638 0.231 -1.222 1.00 0.00 C ATOM 215 CG LEU A 14 -2.140 0.047 -1.445 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.774 -1.423 -1.323 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.708 0.575 -2.803 1.00 0.00 C ATOM 0 H LEU A 14 -3.762 -1.696 0.450 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.297 1.017 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.168 -0.627 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.975 1.109 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.616 0.620 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.703 -1.546 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.035 -1.782 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.321 -1.997 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.635 0.427 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.241 0.039 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.938 1.638 -2.870 1.00 0.00 H new ATOM 229 N MET A 15 -6.484 0.303 0.232 1.00 0.00 N ATOM 230 CA MET A 15 -7.841 0.865 0.245 1.00 0.00 C ATOM 231 C MET A 15 -8.153 1.626 1.553 1.00 0.00 C ATOM 232 O MET A 15 -8.776 2.685 1.503 1.00 0.00 O ATOM 233 CB MET A 15 -8.814 -0.314 0.070 1.00 0.00 C ATOM 234 CG MET A 15 -10.208 0.069 -0.429 1.00 0.00 C ATOM 235 SD MET A 15 -11.448 -1.246 -0.207 1.00 0.00 S ATOM 236 CE MET A 15 -10.797 -2.572 -1.267 1.00 0.00 C ATOM 0 H MET A 15 -6.457 -0.715 0.177 1.00 0.00 H new ATOM 0 HA MET A 15 -7.940 1.594 -0.559 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.377 -1.026 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 15 -8.915 -0.828 1.026 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.541 0.963 0.098 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.148 0.326 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.462 -3.434 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 15 -10.733 -2.217 -2.296 1.00 0.00 H new ATOM 0 HE3 MET A 15 -9.805 -2.861 -0.921 1.00 0.00 H new ATOM 246 N SER A 16 -7.673 1.144 2.711 1.00 0.00 N ATOM 247 CA SER A 16 -7.774 1.855 4.004 1.00 0.00 C ATOM 248 C SER A 16 -7.183 3.282 3.936 1.00 0.00 C ATOM 249 O SER A 16 -7.865 4.279 4.189 1.00 0.00 O ATOM 250 CB SER A 16 -7.052 1.036 5.096 1.00 0.00 C ATOM 251 OG SER A 16 -7.814 0.972 6.288 1.00 0.00 O ATOM 0 H SER A 16 -7.200 0.243 2.781 1.00 0.00 H new ATOM 0 HA SER A 16 -8.832 1.956 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.863 0.027 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.082 1.486 5.307 1.00 0.00 H new ATOM 0 HG SER A 16 -7.330 0.445 6.958 1.00 0.00 H new ATOM 257 N LEU A 17 -5.904 3.353 3.543 1.00 0.00 N ATOM 258 CA LEU A 17 -5.190 4.622 3.324 1.00 0.00 C ATOM 259 C LEU A 17 -5.847 5.537 2.258 1.00 0.00 C ATOM 260 O LEU A 17 -5.633 6.752 2.293 1.00 0.00 O ATOM 261 CB LEU A 17 -3.708 4.379 2.998 1.00 0.00 C ATOM 262 CG LEU A 17 -2.854 3.867 4.174 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.420 3.653 3.703 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.773 4.843 5.351 1.00 0.00 C ATOM 0 H LEU A 17 -5.331 2.528 3.367 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.260 5.163 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.645 3.658 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.275 5.311 2.634 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.340 2.951 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.814 3.291 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.407 2.919 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.012 4.596 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.155 4.412 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.331 5.781 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.775 5.031 5.737 1.00 0.00 H new ATOM 276 N GLY A 18 -6.676 4.999 1.353 1.00 0.00 N ATOM 277 CA GLY A 18 -7.422 5.769 0.357 1.00 0.00 C ATOM 278 C GLY A 18 -6.582 5.945 -0.904 1.00 0.00 C ATOM 279 O GLY A 18 -5.864 6.937 -1.044 1.00 0.00 O ATOM 0 H GLY A 18 -6.848 3.995 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.354 5.259 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.689 6.744 0.765 1.00 0.00 H new ATOM 283 N LEU A 19 -6.685 4.969 -1.809 1.00 0.00 N ATOM 284 CA LEU A 19 -5.877 4.913 -3.035 1.00 0.00 C ATOM 285 C LEU A 19 -6.730 4.489 -4.260 1.00 0.00 C ATOM 286 O LEU A 19 -7.950 4.335 -4.139 1.00 0.00 O ATOM 287 CB LEU A 19 -4.648 4.017 -2.753 1.00 0.00 C ATOM 288 CG LEU A 19 -3.614 4.730 -1.854 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.566 3.824 -1.218 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.841 5.805 -2.625 1.00 0.00 C ATOM 0 H LEU A 19 -7.335 4.189 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.507 5.901 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.973 3.094 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.178 3.737 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.234 5.150 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.890 4.423 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.059 3.081 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.998 3.319 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.123 6.285 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.311 5.345 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.538 6.552 -3.006 1.00 0.00 H new ATOM 302 N SER A 20 -6.108 4.380 -5.440 1.00 0.00 N ATOM 303 CA SER A 20 -6.698 3.886 -6.708 1.00 0.00 C ATOM 304 C SER A 20 -7.251 2.445 -6.639 1.00 0.00 C ATOM 305 O SER A 20 -7.598 1.945 -5.567 1.00 0.00 O ATOM 306 CB SER A 20 -5.700 4.087 -7.861 1.00 0.00 C ATOM 307 OG SER A 20 -5.018 5.330 -7.778 1.00 0.00 O ATOM 0 H SER A 20 -5.129 4.645 -5.551 1.00 0.00 H new ATOM 0 HA SER A 20 -7.585 4.490 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.972 3.276 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.231 4.030 -8.811 1.00 0.00 H new ATOM 0 HG SER A 20 -4.394 5.412 -8.530 1.00 0.00 H new ATOM 313 N ILE A 21 -7.374 1.750 -7.775 1.00 0.00 N ATOM 314 CA ILE A 21 -7.890 0.368 -7.817 1.00 0.00 C ATOM 315 C ILE A 21 -6.733 -0.518 -8.343 1.00 0.00 C ATOM 316 O ILE A 21 -5.789 -0.761 -7.597 1.00 0.00 O ATOM 317 CB ILE A 21 -9.215 0.299 -8.607 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.791 -1.136 -8.517 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.187 0.856 -10.051 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.098 -1.368 -9.285 1.00 0.00 C ATOM 0 H ILE A 21 -7.121 2.123 -8.690 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.174 -0.013 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.892 1.000 -8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.041 -1.834 -8.889 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.958 -1.377 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.175 0.752 -10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.908 1.909 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.459 0.300 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.416 -2.403 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.869 -0.701 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.939 -1.165 -10.344 1.00 0.00 H new ATOM 332 N GLU A 22 -6.691 -0.852 -9.640 1.00 0.00 N ATOM 333 CA GLU A 22 -5.607 -1.607 -10.316 1.00 0.00 C ATOM 334 C GLU A 22 -4.280 -0.847 -10.391 1.00 0.00 C ATOM 335 O GLU A 22 -3.215 -1.458 -10.418 1.00 0.00 O ATOM 336 CB GLU A 22 -6.028 -1.983 -11.746 1.00 0.00 C ATOM 337 CG GLU A 22 -5.489 -3.350 -12.165 1.00 0.00 C ATOM 338 CD GLU A 22 -5.720 -3.583 -13.653 1.00 0.00 C ATOM 339 OE1 GLU A 22 -6.893 -3.598 -14.088 1.00 0.00 O ATOM 340 OE2 GLU A 22 -4.722 -3.771 -14.387 1.00 0.00 O ATOM 0 H GLU A 22 -7.441 -0.596 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.446 -2.495 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.116 -1.987 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.668 -1.224 -12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.424 -3.411 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.980 -4.133 -11.588 1.00 0.00 H new ATOM 347 N GLU A 23 -4.332 0.493 -10.391 1.00 0.00 N ATOM 348 CA GLU A 23 -3.123 1.337 -10.312 1.00 0.00 C ATOM 349 C GLU A 23 -2.529 1.324 -8.911 1.00 0.00 C ATOM 350 O GLU A 23 -1.322 1.183 -8.783 1.00 0.00 O ATOM 351 CB GLU A 23 -3.387 2.777 -10.763 1.00 0.00 C ATOM 352 CG GLU A 23 -2.112 3.581 -11.038 1.00 0.00 C ATOM 353 CD GLU A 23 -1.345 3.042 -12.242 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.785 3.290 -13.388 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.286 2.405 -12.047 1.00 0.00 O ATOM 0 H GLU A 23 -5.203 1.022 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.399 0.903 -11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.996 2.759 -11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.969 3.287 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.372 4.625 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.470 3.555 -10.158 1.00 0.00 H new ATOM 362 N ALA A 24 -3.345 1.377 -7.850 1.00 0.00 N ATOM 363 CA ALA A 24 -2.887 1.159 -6.473 1.00 0.00 C ATOM 364 C ALA A 24 -2.173 -0.192 -6.332 1.00 0.00 C ATOM 365 O ALA A 24 -1.049 -0.222 -5.849 1.00 0.00 O ATOM 366 CB ALA A 24 -4.074 1.281 -5.494 1.00 0.00 C ATOM 0 H ALA A 24 -4.343 1.573 -7.923 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.159 1.931 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.723 1.118 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.509 2.277 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.829 0.535 -5.742 1.00 0.00 H new ATOM 372 N THR A 25 -2.785 -1.284 -6.797 1.00 0.00 N ATOM 373 CA THR A 25 -2.156 -2.618 -6.698 1.00 0.00 C ATOM 374 C THR A 25 -0.741 -2.646 -7.319 1.00 0.00 C ATOM 375 O THR A 25 0.234 -3.096 -6.706 1.00 0.00 O ATOM 376 CB THR A 25 -3.000 -3.772 -7.281 1.00 0.00 C ATOM 377 OG1 THR A 25 -2.838 -3.966 -8.665 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.500 -3.636 -7.034 1.00 0.00 C ATOM 0 H THR A 25 -3.703 -1.280 -7.241 1.00 0.00 H new ATOM 0 HA THR A 25 -2.084 -2.792 -5.624 1.00 0.00 H new ATOM 0 HB THR A 25 -2.606 -4.630 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.978 -3.116 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.020 -4.486 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.691 -3.610 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.862 -2.714 -7.489 1.00 0.00 H new ATOM 386 N GLU A 26 -0.609 -2.060 -8.515 1.00 0.00 N ATOM 387 CA GLU A 26 0.677 -1.911 -9.211 1.00 0.00 C ATOM 388 C GLU A 26 1.634 -0.964 -8.490 1.00 0.00 C ATOM 389 O GLU A 26 2.821 -1.270 -8.405 1.00 0.00 O ATOM 390 CB GLU A 26 0.478 -1.469 -10.669 1.00 0.00 C ATOM 391 CG GLU A 26 1.165 -2.414 -11.655 1.00 0.00 C ATOM 392 CD GLU A 26 2.677 -2.251 -11.622 1.00 0.00 C ATOM 393 OE1 GLU A 26 3.175 -1.255 -12.192 1.00 0.00 O ATOM 394 OE2 GLU A 26 3.364 -3.136 -11.066 1.00 0.00 O ATOM 0 H GLU A 26 -1.398 -1.672 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 26 1.139 -2.898 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.588 -1.426 -10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.872 -0.461 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.904 -3.445 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.799 -2.219 -12.663 1.00 0.00 H new ATOM 401 N PHE A 27 1.164 0.143 -7.906 1.00 0.00 N ATOM 402 CA PHE A 27 1.983 1.096 -7.159 1.00 0.00 C ATOM 403 C PHE A 27 2.510 0.488 -5.852 1.00 0.00 C ATOM 404 O PHE A 27 3.711 0.498 -5.634 1.00 0.00 O ATOM 405 CB PHE A 27 1.134 2.347 -6.873 1.00 0.00 C ATOM 406 CG PHE A 27 1.903 3.562 -6.392 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.604 4.332 -7.339 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.885 3.965 -5.038 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.266 5.507 -6.948 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.513 5.165 -4.659 1.00 0.00 C ATOM 411 CZ PHE A 27 3.201 5.938 -5.611 1.00 0.00 C ATOM 0 H PHE A 27 0.179 0.405 -7.942 1.00 0.00 H new ATOM 0 HA PHE A 27 2.855 1.363 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.596 2.616 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.385 2.093 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.633 4.017 -8.372 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.391 3.354 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.825 6.079 -7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.467 5.494 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.678 6.861 -5.316 1.00 0.00 H new ATOM 421 N TYR A 28 1.652 -0.110 -5.017 1.00 0.00 N ATOM 422 CA TYR A 28 2.042 -0.860 -3.812 1.00 0.00 C ATOM 423 C TYR A 28 3.227 -1.808 -4.026 1.00 0.00 C ATOM 424 O TYR A 28 4.173 -1.778 -3.239 1.00 0.00 O ATOM 425 CB TYR A 28 0.822 -1.603 -3.230 1.00 0.00 C ATOM 426 CG TYR A 28 0.935 -3.098 -2.965 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.751 -3.559 -1.921 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.210 -4.031 -3.731 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.940 -4.940 -1.733 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.406 -5.412 -3.549 1.00 0.00 C ATOM 431 CZ TYR A 28 1.309 -5.865 -2.579 1.00 0.00 C ATOM 432 OH TYR A 28 1.528 -7.202 -2.433 1.00 0.00 O ATOM 0 H TYR A 28 0.643 -0.087 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 28 2.394 -0.124 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.558 -1.120 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.014 -1.450 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.234 -2.853 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.503 -3.683 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.575 -5.291 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.138 -6.121 -4.155 1.00 0.00 H new ATOM 0 HH TYR A 28 1.949 -7.372 -1.564 1.00 0.00 H new ATOM 442 N GLU A 29 3.199 -2.608 -5.101 1.00 0.00 N ATOM 443 CA GLU A 29 4.308 -3.517 -5.453 1.00 0.00 C ATOM 444 C GLU A 29 5.543 -2.815 -6.040 1.00 0.00 C ATOM 445 O GLU A 29 6.663 -3.261 -5.791 1.00 0.00 O ATOM 446 CB GLU A 29 3.826 -4.604 -6.424 1.00 0.00 C ATOM 447 CG GLU A 29 3.221 -5.815 -5.701 1.00 0.00 C ATOM 448 CD GLU A 29 3.960 -7.090 -6.091 1.00 0.00 C ATOM 449 OE1 GLU A 29 3.647 -7.656 -7.163 1.00 0.00 O ATOM 450 OE2 GLU A 29 4.850 -7.525 -5.326 1.00 0.00 O ATOM 0 H GLU A 29 2.413 -2.646 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 29 4.626 -3.960 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.082 -4.180 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.663 -4.934 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.279 -5.669 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.165 -5.907 -5.954 1.00 0.00 H new ATOM 457 N ASN A 30 5.375 -1.714 -6.781 1.00 0.00 N ATOM 458 CA ASN A 30 6.490 -0.919 -7.331 1.00 0.00 C ATOM 459 C ASN A 30 7.181 0.014 -6.314 1.00 0.00 C ATOM 460 O ASN A 30 8.353 0.363 -6.486 1.00 0.00 O ATOM 461 CB ASN A 30 6.017 -0.077 -8.531 1.00 0.00 C ATOM 462 CG ASN A 30 6.614 -0.606 -9.820 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.782 -0.382 -10.118 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.857 -1.331 -10.613 1.00 0.00 N ATOM 0 H ASN A 30 4.456 -1.343 -7.020 1.00 0.00 H new ATOM 0 HA ASN A 30 7.232 -1.658 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.929 -0.099 -8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.307 0.964 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.241 -1.709 -11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.886 -1.516 -10.362 1.00 0.00 H new ATOM 471 N ASP A 31 6.456 0.413 -5.268 1.00 0.00 N ATOM 472 CA ASP A 31 7.002 1.107 -4.106 1.00 0.00 C ATOM 473 C ASP A 31 7.652 0.016 -3.262 1.00 0.00 C ATOM 474 O ASP A 31 8.870 -0.155 -3.320 1.00 0.00 O ATOM 475 CB ASP A 31 5.898 1.897 -3.363 1.00 0.00 C ATOM 476 CG ASP A 31 5.604 3.295 -3.965 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.644 3.468 -5.206 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.369 4.235 -3.168 1.00 0.00 O ATOM 0 H ASP A 31 5.450 0.258 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 31 7.739 1.865 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.979 1.310 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.192 2.017 -2.320 1.00 0.00 H new ATOM 483 N VAL A 32 6.841 -0.769 -2.538 1.00 0.00 N ATOM 484 CA VAL A 32 7.386 -1.805 -1.637 1.00 0.00 C ATOM 485 C VAL A 32 6.429 -2.984 -1.287 1.00 0.00 C ATOM 486 O VAL A 32 6.356 -3.958 -2.037 1.00 0.00 O ATOM 487 CB VAL A 32 7.874 -1.043 -0.384 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.726 -0.220 0.259 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.630 -1.921 0.610 1.00 0.00 C ATOM 0 H VAL A 32 5.823 -0.712 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 32 8.190 -2.333 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 32 8.621 -0.326 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.102 0.304 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.350 0.505 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.919 -0.890 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.942 -1.319 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.980 -2.726 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.509 -2.346 0.125 1.00 0.00 H new ATOM 499 N THR A 33 5.720 -2.915 -0.148 1.00 0.00 N ATOM 500 CA THR A 33 4.929 -3.979 0.497 1.00 0.00 C ATOM 501 C THR A 33 3.716 -3.420 1.272 1.00 0.00 C ATOM 502 O THR A 33 2.659 -4.034 1.216 1.00 0.00 O ATOM 503 CB THR A 33 5.794 -4.713 1.550 1.00 0.00 C ATOM 504 OG1 THR A 33 6.997 -5.197 0.989 1.00 0.00 O ATOM 505 CG2 THR A 33 5.121 -5.903 2.245 1.00 0.00 C ATOM 0 H THR A 33 5.681 -2.048 0.388 1.00 0.00 H new ATOM 0 HA THR A 33 4.595 -4.636 -0.306 1.00 0.00 H new ATOM 0 HB THR A 33 5.969 -3.940 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.520 -5.653 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.813 -6.344 2.962 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.227 -5.562 2.767 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.844 -6.650 1.501 1.00 0.00 H new ATOM 513 N TYR A 34 3.835 -2.273 1.975 1.00 0.00 N ATOM 514 CA TYR A 34 2.811 -1.606 2.806 1.00 0.00 C ATOM 515 C TYR A 34 3.365 -0.423 3.642 1.00 0.00 C ATOM 516 O TYR A 34 3.361 0.702 3.152 1.00 0.00 O ATOM 517 CB TYR A 34 1.973 -2.558 3.652 1.00 0.00 C ATOM 518 CG TYR A 34 1.015 -1.826 4.568 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.008 -1.013 4.048 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.216 -1.889 5.951 1.00 0.00 C ATOM 521 CE1 TYR A 34 -0.858 -0.303 4.915 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.349 -1.203 6.824 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.687 -0.408 6.304 1.00 0.00 C ATOM 524 OH TYR A 34 -1.543 0.245 7.138 1.00 0.00 O ATOM 0 H TYR A 34 4.712 -1.752 1.976 1.00 0.00 H new ATOM 0 HA TYR A 34 2.124 -1.177 2.077 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.409 -3.221 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.634 -3.186 4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.141 -0.934 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.038 -2.465 6.350 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.641 0.322 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.480 -1.288 7.893 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.290 0.070 8.069 1.00 0.00 H new ATOM 534 N GLU A 35 3.884 -0.643 4.863 1.00 0.00 N ATOM 535 CA GLU A 35 4.312 0.428 5.814 1.00 0.00 C ATOM 536 C GLU A 35 5.373 1.365 5.238 1.00 0.00 C ATOM 537 O GLU A 35 5.326 2.577 5.421 1.00 0.00 O ATOM 538 CB GLU A 35 4.866 -0.195 7.109 1.00 0.00 C ATOM 539 CG GLU A 35 3.772 -0.463 8.142 1.00 0.00 C ATOM 540 CD GLU A 35 4.050 -1.739 8.930 1.00 0.00 C ATOM 541 OE1 GLU A 35 5.097 -1.808 9.612 1.00 0.00 O ATOM 542 OE2 GLU A 35 3.212 -2.666 8.876 1.00 0.00 O ATOM 0 H GLU A 35 4.025 -1.583 5.234 1.00 0.00 H new ATOM 0 HA GLU A 35 3.418 1.019 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.374 -1.130 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.613 0.472 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.702 0.382 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.808 -0.547 7.640 1.00 0.00 H new ATOM 549 N ARG A 36 6.296 0.764 4.497 1.00 0.00 N ATOM 550 CA ARG A 36 7.292 1.490 3.704 1.00 0.00 C ATOM 551 C ARG A 36 6.636 2.472 2.703 1.00 0.00 C ATOM 552 O ARG A 36 7.021 3.639 2.693 1.00 0.00 O ATOM 553 CB ARG A 36 8.272 0.509 3.044 1.00 0.00 C ATOM 554 CG ARG A 36 9.495 0.186 3.915 1.00 0.00 C ATOM 555 CD ARG A 36 9.725 -1.328 4.050 1.00 0.00 C ATOM 556 NE ARG A 36 10.577 -1.623 5.209 1.00 0.00 N ATOM 557 CZ ARG A 36 11.893 -1.518 5.289 1.00 0.00 C ATOM 558 NH1 ARG A 36 12.640 -1.218 4.260 1.00 0.00 N ATOM 559 NH2 ARG A 36 12.483 -1.705 6.436 1.00 0.00 N ATOM 0 H ARG A 36 6.379 -0.250 4.426 1.00 0.00 H new ATOM 0 HA ARG A 36 7.876 2.118 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.746 -0.417 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.611 0.928 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.381 0.650 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.360 0.621 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.768 -1.838 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.191 -1.712 3.143 1.00 0.00 H new ATOM 0 HE ARG A 36 10.098 -1.946 6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.211 -1.054 3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.652 -1.148 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.930 -1.930 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.497 -1.626 6.507 1.00 0.00 H new ATOM 573 N TYR A 37 5.622 2.081 1.910 1.00 0.00 N ATOM 574 CA TYR A 37 4.969 3.019 0.989 1.00 0.00 C ATOM 575 C TYR A 37 4.133 4.034 1.760 1.00 0.00 C ATOM 576 O TYR A 37 4.099 5.182 1.348 1.00 0.00 O ATOM 577 CB TYR A 37 4.140 2.356 -0.135 1.00 0.00 C ATOM 578 CG TYR A 37 2.678 2.069 0.149 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.772 3.135 0.305 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.213 0.749 0.271 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.464 2.906 0.740 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.897 0.519 0.711 1.00 0.00 C ATOM 583 CZ TYR A 37 0.055 1.596 1.020 1.00 0.00 C ATOM 584 OH TYR A 37 -1.152 1.357 1.597 1.00 0.00 O ATOM 0 H TYR A 37 5.243 1.134 1.890 1.00 0.00 H new ATOM 0 HA TYR A 37 5.782 3.530 0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.192 2.998 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.623 1.415 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.092 4.143 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.860 -0.081 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.224 3.730 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.533 -0.493 0.811 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.043 0.718 2.332 1.00 0.00 H new ATOM 594 N LEU A 38 3.468 3.653 2.857 1.00 0.00 N ATOM 595 CA LEU A 38 2.677 4.559 3.694 1.00 0.00 C ATOM 596 C LEU A 38 3.535 5.746 4.165 1.00 0.00 C ATOM 597 O LEU A 38 3.175 6.896 3.931 1.00 0.00 O ATOM 598 CB LEU A 38 2.069 3.709 4.834 1.00 0.00 C ATOM 599 CG LEU A 38 1.406 4.436 6.024 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.578 3.429 6.825 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.412 5.030 7.017 1.00 0.00 C ATOM 0 H LEU A 38 3.465 2.690 3.193 1.00 0.00 H new ATOM 0 HA LEU A 38 1.857 5.021 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.323 3.048 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.861 3.075 5.233 1.00 0.00 H new ATOM 0 HG LEU A 38 0.815 5.242 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.106 3.934 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.191 2.998 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.228 2.636 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.875 5.525 7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.032 4.233 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.045 5.755 6.504 1.00 0.00 H new ATOM 613 N GLU A 39 4.698 5.460 4.761 1.00 0.00 N ATOM 614 CA GLU A 39 5.711 6.460 5.174 1.00 0.00 C ATOM 615 C GLU A 39 6.186 7.347 4.021 1.00 0.00 C ATOM 616 O GLU A 39 6.287 8.563 4.174 1.00 0.00 O ATOM 617 CB GLU A 39 6.928 5.751 5.790 1.00 0.00 C ATOM 618 CG GLU A 39 6.733 5.429 7.272 1.00 0.00 C ATOM 619 CD GLU A 39 7.420 6.484 8.133 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.806 7.542 8.394 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.578 6.247 8.547 1.00 0.00 O ATOM 0 H GLU A 39 4.976 4.503 4.979 1.00 0.00 H new ATOM 0 HA GLU A 39 5.226 7.105 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.121 4.828 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.809 6.381 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.669 5.393 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.142 4.444 7.495 1.00 0.00 H new ATOM 628 N ILE A 40 6.419 6.739 2.858 1.00 0.00 N ATOM 629 CA ILE A 40 6.826 7.465 1.643 1.00 0.00 C ATOM 630 C ILE A 40 5.697 8.384 1.123 1.00 0.00 C ATOM 631 O ILE A 40 5.965 9.537 0.805 1.00 0.00 O ATOM 632 CB ILE A 40 7.380 6.515 0.553 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.676 5.813 1.030 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.690 7.310 -0.734 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.024 4.559 0.214 1.00 0.00 C ATOM 0 H ILE A 40 6.333 5.731 2.726 1.00 0.00 H new ATOM 0 HA ILE A 40 7.654 8.118 1.918 1.00 0.00 H new ATOM 0 HB ILE A 40 6.620 5.760 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.505 6.518 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.566 5.537 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.079 6.633 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.777 7.781 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.433 8.078 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.942 4.117 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.212 3.836 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.165 4.833 -0.832 1.00 0.00 H new ATOM 647 N LEU A 41 4.442 7.927 1.088 1.00 0.00 N ATOM 648 CA LEU A 41 3.269 8.653 0.582 1.00 0.00 C ATOM 649 C LEU A 41 2.874 9.828 1.496 1.00 0.00 C ATOM 650 O LEU A 41 2.665 10.932 1.005 1.00 0.00 O ATOM 651 CB LEU A 41 2.064 7.688 0.400 1.00 0.00 C ATOM 652 CG LEU A 41 1.854 7.080 -1.008 1.00 0.00 C ATOM 653 CD1 LEU A 41 0.551 6.264 -1.068 1.00 0.00 C ATOM 654 CD2 LEU A 41 1.748 8.161 -2.085 1.00 0.00 C ATOM 0 H LEU A 41 4.203 6.996 1.428 1.00 0.00 H new ATOM 0 HA LEU A 41 3.545 9.069 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.177 6.868 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.156 8.225 0.676 1.00 0.00 H new ATOM 0 HG LEU A 41 2.722 6.447 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.428 5.848 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.596 5.453 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.295 6.912 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.601 7.692 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.902 8.812 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.665 8.750 -2.101 1.00 0.00 H new ATOM 666 N LYS A 42 2.817 9.607 2.815 1.00 0.00 N ATOM 667 CA LYS A 42 2.615 10.657 3.828 1.00 0.00 C ATOM 668 C LYS A 42 3.692 11.762 3.738 1.00 0.00 C ATOM 669 O LYS A 42 3.383 12.954 3.800 1.00 0.00 O ATOM 670 CB LYS A 42 2.636 10.016 5.233 1.00 0.00 C ATOM 671 CG LYS A 42 1.228 9.718 5.772 1.00 0.00 C ATOM 672 CD LYS A 42 1.273 8.881 7.066 1.00 0.00 C ATOM 673 CE LYS A 42 0.164 9.296 8.047 1.00 0.00 C ATOM 674 NZ LYS A 42 -0.454 8.145 8.740 1.00 0.00 N ATOM 0 H LYS A 42 2.912 8.675 3.219 1.00 0.00 H new ATOM 0 HA LYS A 42 1.650 11.127 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.210 9.090 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.151 10.683 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.707 10.656 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.655 9.184 5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.166 7.824 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.246 9.000 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.579 9.979 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.607 9.844 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.193 8.486 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.876 7.504 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.273 7.635 9.282 1.00 0.00 H new ATOM 688 N SER A 43 4.954 11.343 3.615 1.00 0.00 N ATOM 689 CA SER A 43 6.077 12.274 3.417 1.00 0.00 C ATOM 690 C SER A 43 5.893 13.117 2.128 1.00 0.00 C ATOM 691 O SER A 43 5.968 14.351 2.161 1.00 0.00 O ATOM 692 CB SER A 43 7.418 11.533 3.419 1.00 0.00 C ATOM 693 OG SER A 43 8.479 12.459 3.592 1.00 0.00 O ATOM 0 H SER A 43 5.228 10.361 3.649 1.00 0.00 H new ATOM 0 HA SER A 43 6.085 12.967 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.434 10.794 4.220 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.546 10.991 2.482 1.00 0.00 H new ATOM 0 HG SER A 43 9.334 11.980 3.594 1.00 0.00 H new ATOM 699 N LYS A 44 5.594 12.460 0.999 1.00 0.00 N ATOM 700 CA LYS A 44 5.184 13.066 -0.279 1.00 0.00 C ATOM 701 C LYS A 44 3.820 13.815 -0.241 1.00 0.00 C ATOM 702 O LYS A 44 3.161 13.945 0.793 1.00 0.00 O ATOM 703 CB LYS A 44 5.190 11.955 -1.364 1.00 0.00 C ATOM 704 CG LYS A 44 5.854 12.393 -2.678 1.00 0.00 C ATOM 705 CD LYS A 44 5.889 11.262 -3.725 1.00 0.00 C ATOM 706 CE LYS A 44 7.200 11.334 -4.523 1.00 0.00 C ATOM 707 NZ LYS A 44 7.084 10.747 -5.875 1.00 0.00 N ATOM 0 H LYS A 44 5.633 11.442 0.948 1.00 0.00 H new ATOM 0 HA LYS A 44 5.905 13.849 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.711 11.080 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.164 11.650 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.314 13.247 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.871 12.727 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.805 10.294 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.037 11.351 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.510 12.375 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.984 10.813 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.997 10.824 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.816 9.745 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.357 11.259 -6.414 1.00 0.00 H new ATOM 721 N GLN A 45 3.396 14.318 -1.404 1.00 0.00 N ATOM 722 CA GLN A 45 2.065 14.890 -1.686 1.00 0.00 C ATOM 723 C GLN A 45 1.116 13.863 -2.345 1.00 0.00 C ATOM 724 O GLN A 45 1.549 12.773 -2.727 1.00 0.00 O ATOM 725 CB GLN A 45 2.250 16.132 -2.578 1.00 0.00 C ATOM 726 CG GLN A 45 2.712 15.796 -4.008 1.00 0.00 C ATOM 727 CD GLN A 45 3.373 16.984 -4.677 1.00 0.00 C ATOM 728 OE1 GLN A 45 2.811 18.068 -4.768 1.00 0.00 O ATOM 729 NE2 GLN A 45 4.587 16.818 -5.161 1.00 0.00 N ATOM 0 H GLN A 45 4.002 14.341 -2.224 1.00 0.00 H new ATOM 0 HA GLN A 45 1.594 15.174 -0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.308 16.678 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.980 16.797 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.411 14.960 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.856 15.474 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.048 15.912 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.066 17.596 -5.616 1.00 0.00 H new ATOM 738 N LYS A 46 -0.161 14.221 -2.544 1.00 0.00 N ATOM 739 CA LYS A 46 -1.196 13.350 -3.144 1.00 0.00 C ATOM 740 C LYS A 46 -1.306 11.945 -2.488 1.00 0.00 C ATOM 741 O LYS A 46 -1.566 10.935 -3.155 1.00 0.00 O ATOM 742 CB LYS A 46 -1.048 13.347 -4.686 1.00 0.00 C ATOM 743 CG LYS A 46 -1.556 14.666 -5.306 1.00 0.00 C ATOM 744 CD LYS A 46 -2.689 14.490 -6.337 1.00 0.00 C ATOM 745 CE LYS A 46 -2.156 14.366 -7.774 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.093 14.949 -8.759 1.00 0.00 N ATOM 0 H LYS A 46 -0.516 15.143 -2.289 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.173 13.778 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.001 13.198 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.605 12.509 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.907 15.318 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.719 15.173 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.268 13.601 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.368 15.340 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.191 14.868 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.988 13.315 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.699 14.846 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.006 14.453 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.234 15.958 -8.549 1.00 0.00 H new ATOM 760 N GLU A 47 -1.098 11.899 -1.164 1.00 0.00 N ATOM 761 CA GLU A 47 -1.298 10.746 -0.264 1.00 0.00 C ATOM 762 C GLU A 47 -2.705 10.135 -0.329 1.00 0.00 C ATOM 763 O GLU A 47 -3.695 10.880 -0.507 1.00 0.00 O ATOM 764 CB GLU A 47 -0.930 11.103 1.187 1.00 0.00 C ATOM 765 CG GLU A 47 -1.641 12.322 1.792 1.00 0.00 C ATOM 766 CD GLU A 47 -0.796 13.589 1.715 1.00 0.00 C ATOM 767 OE1 GLU A 47 -0.759 14.224 0.638 1.00 0.00 O ATOM 768 OE2 GLU A 47 -0.216 13.970 2.758 1.00 0.00 O ATOM 769 OXT GLU A 47 -2.791 8.898 -0.191 1.00 0.00 O ATOM 0 H GLU A 47 -0.764 12.718 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.619 9.975 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.141 10.238 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.145 11.277 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.583 12.485 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.886 12.115 2.834 1.00 0.00 H new TER 776 GLU A 47