USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 877 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 9 GLN : amide:sc=-0.000923 K(o=0.036,f=-0.63) USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -140:sc= -0.796 (180deg=-2.71!) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 0.565 (180deg=-0.501) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00825) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0871 USER MOD Single : A 23 TYR OH : rot -100:sc= 0.352 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.439 F(o=-1.1,f=-0.44) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0129) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0.721 (180deg=0.572) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0.146 (180deg=-0.42) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.123 K(o=-0.12,f=-3.9!) USER MOD Single : A 45 MET CE :methyl 168:sc= -1.26 (180deg=-1.61) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0.449 (180deg=0.384) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0467) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0.268 (180deg=0.166) USER MOD Single : A 64 HIS : no HE2:sc= -0.139 K(o=-0.14,f=-2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0.505 (180deg=0.505) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 147:sc= -0.521 (180deg=-1.1!) USER MOD Single : A 82 ASN : amide:sc=-0.00944 K(o=-0.0094,f=-2.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 165:sc= -0.688! USER MOD Single : A 91 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 94 ASN : amide:sc= 0.0501 X(o=0.05,f=-0.0095) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 15.858 -5.856 0.788 1.00 63.24 N ATOM 39 CA LYS A 4 15.339 -5.718 2.148 1.00 31.00 C ATOM 40 C LYS A 4 13.866 -6.168 2.194 1.00 74.35 C ATOM 41 O LYS A 4 13.123 -5.981 1.220 1.00 31.24 O ATOM 42 CB LYS A 4 15.474 -4.230 2.605 1.00 40.23 C ATOM 43 CG LYS A 4 15.408 -3.992 4.146 1.00 60.21 C ATOM 44 CD LYS A 4 16.804 -3.922 4.838 1.00 44.43 C ATOM 45 CE LYS A 4 17.628 -5.233 4.786 1.00 35.03 C ATOM 46 NZ LYS A 4 17.002 -6.348 5.547 1.00 12.30 N ATOM 0 HA LYS A 4 15.913 -6.349 2.826 1.00 31.00 H new ATOM 0 HB2 LYS A 4 16.422 -3.839 2.235 1.00 40.23 H new ATOM 0 HB3 LYS A 4 14.683 -3.649 2.131 1.00 40.23 H new ATOM 0 HG2 LYS A 4 14.872 -3.062 4.337 1.00 60.21 H new ATOM 0 HG3 LYS A 4 14.828 -4.794 4.602 1.00 60.21 H new ATOM 0 HD2 LYS A 4 17.385 -3.127 4.371 1.00 44.43 H new ATOM 0 HD3 LYS A 4 16.662 -3.641 5.882 1.00 44.43 H new ATOM 0 HE2 LYS A 4 17.752 -5.536 3.746 1.00 35.03 H new ATOM 0 HE3 LYS A 4 18.625 -5.044 5.184 1.00 35.03 H new ATOM 0 HZ1 LYS A 4 17.599 -7.196 5.474 1.00 12.30 H new ATOM 0 HZ2 LYS A 4 16.907 -6.076 6.546 1.00 12.30 H new ATOM 0 HZ3 LYS A 4 16.061 -6.552 5.153 1.00 12.30 H new ATOM 60 N LYS A 5 13.467 -6.788 3.315 1.00 71.55 N ATOM 61 CA LYS A 5 12.077 -7.153 3.580 1.00 12.11 C ATOM 62 C LYS A 5 11.365 -5.961 4.230 1.00 0.35 C ATOM 63 O LYS A 5 11.698 -5.565 5.359 1.00 61.30 O ATOM 64 CB LYS A 5 11.993 -8.385 4.519 1.00 22.21 C ATOM 65 CG LYS A 5 10.541 -8.877 4.802 1.00 71.15 C ATOM 66 CD LYS A 5 10.441 -9.964 5.907 1.00 12.43 C ATOM 67 CE LYS A 5 10.630 -9.428 7.348 1.00 55.50 C ATOM 68 NZ LYS A 5 12.036 -9.067 7.667 1.00 21.42 N ATOM 0 H LYS A 5 14.108 -7.049 4.064 1.00 71.55 H new ATOM 0 HA LYS A 5 11.596 -7.412 2.637 1.00 12.11 H new ATOM 0 HB2 LYS A 5 12.562 -9.203 4.078 1.00 22.21 H new ATOM 0 HB3 LYS A 5 12.472 -8.138 5.467 1.00 22.21 H new ATOM 0 HG2 LYS A 5 9.930 -8.022 5.092 1.00 71.15 H new ATOM 0 HG3 LYS A 5 10.117 -9.273 3.879 1.00 71.15 H new ATOM 0 HD2 LYS A 5 9.467 -10.448 5.837 1.00 12.43 H new ATOM 0 HD3 LYS A 5 11.192 -10.730 5.716 1.00 12.43 H new ATOM 0 HE2 LYS A 5 9.998 -8.551 7.487 1.00 55.50 H new ATOM 0 HE3 LYS A 5 10.288 -10.183 8.056 1.00 55.50 H new ATOM 0 HZ1 LYS A 5 12.259 -9.366 8.638 1.00 21.42 H new ATOM 0 HZ2 LYS A 5 12.677 -9.545 7.002 1.00 21.42 H new ATOM 0 HZ3 LYS A 5 12.157 -8.037 7.585 1.00 21.42 H new ATOM 82 N VAL A 6 10.413 -5.385 3.510 1.00 12.51 N ATOM 83 CA VAL A 6 9.495 -4.377 4.049 1.00 65.54 C ATOM 84 C VAL A 6 8.172 -5.080 4.366 1.00 21.14 C ATOM 85 O VAL A 6 7.708 -5.932 3.592 1.00 43.20 O ATOM 86 CB VAL A 6 9.260 -3.160 3.064 1.00 62.33 C ATOM 87 CG1 VAL A 6 9.046 -3.626 1.612 1.00 64.44 C ATOM 88 CG2 VAL A 6 8.068 -2.283 3.525 1.00 63.11 C ATOM 0 H VAL A 6 10.250 -5.602 2.527 1.00 12.51 H new ATOM 0 HA VAL A 6 9.938 -3.944 4.946 1.00 65.54 H new ATOM 0 HB VAL A 6 10.167 -2.556 3.092 1.00 62.33 H new ATOM 0 HG11 VAL A 6 8.889 -2.759 0.971 1.00 64.44 H new ATOM 0 HG12 VAL A 6 9.925 -4.174 1.272 1.00 64.44 H new ATOM 0 HG13 VAL A 6 8.173 -4.276 1.564 1.00 64.44 H new ATOM 0 HG21 VAL A 6 7.933 -1.456 2.827 1.00 63.11 H new ATOM 0 HG22 VAL A 6 7.161 -2.887 3.552 1.00 63.11 H new ATOM 0 HG23 VAL A 6 8.270 -1.888 4.521 1.00 63.11 H new ATOM 98 N GLU A 7 7.582 -4.738 5.510 1.00 11.23 N ATOM 99 CA GLU A 7 6.274 -5.255 5.916 1.00 53.13 C ATOM 100 C GLU A 7 5.236 -4.176 5.600 1.00 0.31 C ATOM 101 O GLU A 7 5.249 -3.089 6.190 1.00 42.35 O ATOM 102 CB GLU A 7 6.258 -5.642 7.414 1.00 2.43 C ATOM 103 CG GLU A 7 7.241 -6.767 7.786 1.00 32.24 C ATOM 104 CD GLU A 7 7.280 -7.047 9.295 1.00 21.20 C ATOM 105 OE1 GLU A 7 6.407 -7.787 9.792 1.00 15.41 O ATOM 106 OE2 GLU A 7 8.174 -6.513 9.995 1.00 60.01 O ATOM 0 H GLU A 7 7.997 -4.094 6.183 1.00 11.23 H new ATOM 0 HA GLU A 7 6.042 -6.169 5.368 1.00 53.13 H new ATOM 0 HB2 GLU A 7 6.492 -4.759 8.008 1.00 2.43 H new ATOM 0 HB3 GLU A 7 5.249 -5.951 7.687 1.00 2.43 H new ATOM 0 HG2 GLU A 7 6.959 -7.679 7.259 1.00 32.24 H new ATOM 0 HG3 GLU A 7 8.241 -6.498 7.445 1.00 32.24 H new ATOM 113 N VAL A 8 4.364 -4.485 4.641 1.00 54.05 N ATOM 114 CA VAL A 8 3.337 -3.571 4.145 1.00 41.30 C ATOM 115 C VAL A 8 2.037 -3.866 4.897 1.00 10.33 C ATOM 116 O VAL A 8 1.413 -4.913 4.684 1.00 1.44 O ATOM 117 CB VAL A 8 3.160 -3.736 2.584 1.00 43.12 C ATOM 118 CG1 VAL A 8 2.003 -2.872 2.029 1.00 13.15 C ATOM 119 CG2 VAL A 8 4.487 -3.408 1.859 1.00 74.12 C ATOM 0 H VAL A 8 4.352 -5.394 4.179 1.00 54.05 H new ATOM 0 HA VAL A 8 3.627 -2.535 4.322 1.00 41.30 H new ATOM 0 HB VAL A 8 2.896 -4.776 2.393 1.00 43.12 H new ATOM 0 HG11 VAL A 8 1.922 -3.021 0.952 1.00 13.15 H new ATOM 0 HG12 VAL A 8 1.068 -3.165 2.507 1.00 13.15 H new ATOM 0 HG13 VAL A 8 2.202 -1.821 2.236 1.00 13.15 H new ATOM 0 HG21 VAL A 8 4.353 -3.525 0.784 1.00 74.12 H new ATOM 0 HG22 VAL A 8 4.777 -2.381 2.079 1.00 74.12 H new ATOM 0 HG23 VAL A 8 5.267 -4.087 2.203 1.00 74.12 H new ATOM 129 N GLN A 9 1.659 -2.960 5.809 1.00 40.45 N ATOM 130 CA GLN A 9 0.493 -3.145 6.676 1.00 74.22 C ATOM 131 C GLN A 9 -0.704 -2.446 6.027 1.00 4.40 C ATOM 132 O GLN A 9 -0.818 -1.225 6.107 1.00 43.24 O ATOM 133 CB GLN A 9 0.783 -2.562 8.087 1.00 4.41 C ATOM 134 CG GLN A 9 2.063 -3.111 8.752 1.00 10.54 C ATOM 135 CD GLN A 9 2.271 -2.572 10.167 1.00 22.25 C ATOM 136 OE1 GLN A 9 2.922 -1.549 10.368 1.00 32.54 O ATOM 137 NE2 GLN A 9 1.703 -3.240 11.161 1.00 41.55 N ATOM 0 H GLN A 9 2.153 -2.081 5.964 1.00 40.45 H new ATOM 0 HA GLN A 9 0.271 -4.205 6.795 1.00 74.22 H new ATOM 0 HB2 GLN A 9 0.865 -1.478 8.009 1.00 4.41 H new ATOM 0 HB3 GLN A 9 -0.068 -2.772 8.736 1.00 4.41 H new ATOM 0 HG2 GLN A 9 2.011 -4.199 8.786 1.00 10.54 H new ATOM 0 HG3 GLN A 9 2.926 -2.852 8.139 1.00 10.54 H new ATOM 0 HE21 GLN A 9 1.168 -4.086 10.967 1.00 41.55 H new ATOM 0 HE22 GLN A 9 1.801 -2.908 12.120 1.00 41.55 H new ATOM 146 N VAL A 10 -1.571 -3.223 5.355 1.00 12.35 N ATOM 147 CA VAL A 10 -2.737 -2.687 4.630 1.00 60.43 C ATOM 148 C VAL A 10 -3.969 -2.760 5.543 1.00 13.10 C ATOM 149 O VAL A 10 -4.467 -3.851 5.831 1.00 44.34 O ATOM 150 CB VAL A 10 -2.993 -3.469 3.279 1.00 13.15 C ATOM 151 CG1 VAL A 10 -4.221 -2.907 2.519 1.00 2.01 C ATOM 152 CG2 VAL A 10 -1.733 -3.444 2.379 1.00 15.31 C ATOM 0 H VAL A 10 -1.484 -4.238 5.299 1.00 12.35 H new ATOM 0 HA VAL A 10 -2.538 -1.649 4.363 1.00 60.43 H new ATOM 0 HB VAL A 10 -3.210 -4.505 3.537 1.00 13.15 H new ATOM 0 HG11 VAL A 10 -4.366 -3.469 1.596 1.00 2.01 H new ATOM 0 HG12 VAL A 10 -5.109 -3.000 3.144 1.00 2.01 H new ATOM 0 HG13 VAL A 10 -4.053 -1.857 2.282 1.00 2.01 H new ATOM 0 HG21 VAL A 10 -1.934 -3.988 1.456 1.00 15.31 H new ATOM 0 HG22 VAL A 10 -1.475 -2.412 2.143 1.00 15.31 H new ATOM 0 HG23 VAL A 10 -0.902 -3.915 2.904 1.00 15.31 H new ATOM 162 N LYS A 11 -4.419 -1.591 6.025 1.00 22.41 N ATOM 163 CA LYS A 11 -5.575 -1.471 6.919 1.00 60.32 C ATOM 164 C LYS A 11 -6.718 -0.814 6.143 1.00 20.14 C ATOM 165 O LYS A 11 -6.693 0.395 5.929 1.00 43.30 O ATOM 166 CB LYS A 11 -5.180 -0.600 8.145 1.00 52.11 C ATOM 167 CG LYS A 11 -6.282 -0.458 9.229 1.00 40.32 C ATOM 168 CD LYS A 11 -5.997 0.659 10.260 1.00 61.05 C ATOM 169 CE LYS A 11 -4.618 0.540 10.934 1.00 71.00 C ATOM 170 NZ LYS A 11 -4.447 -0.734 11.682 1.00 4.31 N ATOM 0 H LYS A 11 -3.985 -0.696 5.801 1.00 22.41 H new ATOM 0 HA LYS A 11 -5.894 -2.451 7.274 1.00 60.32 H new ATOM 0 HB2 LYS A 11 -4.291 -1.030 8.606 1.00 52.11 H new ATOM 0 HB3 LYS A 11 -4.907 0.395 7.793 1.00 52.11 H new ATOM 0 HG2 LYS A 11 -7.236 -0.256 8.741 1.00 40.32 H new ATOM 0 HG3 LYS A 11 -6.388 -1.407 9.754 1.00 40.32 H new ATOM 0 HD2 LYS A 11 -6.067 1.627 9.763 1.00 61.05 H new ATOM 0 HD3 LYS A 11 -6.770 0.639 11.028 1.00 61.05 H new ATOM 0 HE2 LYS A 11 -3.840 0.616 10.174 1.00 71.00 H new ATOM 0 HE3 LYS A 11 -4.480 1.378 11.617 1.00 71.00 H new ATOM 0 HZ1 LYS A 11 -4.020 -0.537 12.610 1.00 4.31 H new ATOM 0 HZ2 LYS A 11 -5.375 -1.185 11.817 1.00 4.31 H new ATOM 0 HZ3 LYS A 11 -3.827 -1.372 11.144 1.00 4.31 H new ATOM 184 N ILE A 12 -7.718 -1.594 5.714 1.00 40.43 N ATOM 185 CA ILE A 12 -8.830 -1.061 4.902 1.00 14.20 C ATOM 186 C ILE A 12 -10.149 -1.097 5.698 1.00 63.41 C ATOM 187 O ILE A 12 -10.563 -2.142 6.200 1.00 54.01 O ATOM 188 CB ILE A 12 -8.964 -1.797 3.514 1.00 73.44 C ATOM 189 CG1 ILE A 12 -10.098 -1.148 2.666 1.00 74.41 C ATOM 190 CG2 ILE A 12 -9.174 -3.322 3.666 1.00 52.30 C ATOM 191 CD1 ILE A 12 -10.248 -1.714 1.269 1.00 2.03 C ATOM 0 H ILE A 12 -7.784 -2.592 5.912 1.00 40.43 H new ATOM 0 HA ILE A 12 -8.600 -0.020 4.674 1.00 14.20 H new ATOM 0 HB ILE A 12 -8.018 -1.673 2.987 1.00 73.44 H new ATOM 0 HG12 ILE A 12 -11.043 -1.269 3.195 1.00 74.41 H new ATOM 0 HG13 ILE A 12 -9.909 -0.077 2.591 1.00 74.41 H new ATOM 0 HG21 ILE A 12 -9.260 -3.778 2.679 1.00 52.30 H new ATOM 0 HG22 ILE A 12 -8.324 -3.756 4.193 1.00 52.30 H new ATOM 0 HG23 ILE A 12 -10.086 -3.509 4.233 1.00 52.30 H new ATOM 0 HD11 ILE A 12 -11.061 -1.202 0.754 1.00 2.03 H new ATOM 0 HD12 ILE A 12 -9.320 -1.569 0.716 1.00 2.03 H new ATOM 0 HD13 ILE A 12 -10.471 -2.779 1.330 1.00 2.03 H new ATOM 203 N THR A 13 -10.785 0.074 5.835 1.00 22.22 N ATOM 204 CA THR A 13 -12.037 0.232 6.575 1.00 10.13 C ATOM 205 C THR A 13 -13.207 0.274 5.567 1.00 31.04 C ATOM 206 O THR A 13 -13.404 1.285 4.892 1.00 34.21 O ATOM 207 CB THR A 13 -11.993 1.539 7.438 1.00 43.52 C ATOM 208 OG1 THR A 13 -10.757 1.580 8.180 1.00 75.42 O ATOM 209 CG2 THR A 13 -13.187 1.633 8.416 1.00 22.54 C ATOM 0 H THR A 13 -10.439 0.944 5.430 1.00 22.22 H new ATOM 0 HA THR A 13 -12.178 -0.609 7.253 1.00 10.13 H new ATOM 0 HB THR A 13 -12.058 2.389 6.758 1.00 43.52 H new ATOM 0 HG1 THR A 13 -10.726 2.398 8.719 1.00 75.42 H new ATOM 0 HG21 THR A 13 -13.113 2.555 8.992 1.00 22.54 H new ATOM 0 HG22 THR A 13 -14.120 1.631 7.852 1.00 22.54 H new ATOM 0 HG23 THR A 13 -13.170 0.779 9.094 1.00 22.54 H new ATOM 217 N CYS A 14 -13.949 -0.842 5.452 1.00 73.24 N ATOM 218 CA CYS A 14 -15.088 -0.981 4.515 1.00 20.00 C ATOM 219 C CYS A 14 -16.396 -1.123 5.298 1.00 22.14 C ATOM 220 O CYS A 14 -16.473 -1.940 6.233 1.00 41.53 O ATOM 221 CB CYS A 14 -14.878 -2.210 3.600 1.00 22.13 C ATOM 222 SG CYS A 14 -16.286 -2.627 2.502 1.00 40.25 S ATOM 0 H CYS A 14 -13.778 -1.680 6.008 1.00 73.24 H new ATOM 0 HA CYS A 14 -15.145 -0.088 3.893 1.00 20.00 H new ATOM 0 HB2 CYS A 14 -13.998 -2.035 2.982 1.00 22.13 H new ATOM 0 HB3 CYS A 14 -14.660 -3.075 4.227 1.00 22.13 H new ATOM 227 N ASN A 15 -17.393 -0.283 4.920 1.00 32.31 N ATOM 228 CA ASN A 15 -18.770 -0.278 5.467 1.00 13.55 C ATOM 229 C ASN A 15 -18.790 0.283 6.910 1.00 23.43 C ATOM 230 O ASN A 15 -19.252 1.410 7.136 1.00 50.10 O ATOM 231 CB ASN A 15 -19.438 -1.683 5.362 1.00 61.14 C ATOM 232 CG ASN A 15 -20.873 -1.714 5.904 1.00 21.41 C ATOM 233 OD1 ASN A 15 -21.096 -1.985 7.085 1.00 24.23 O ATOM 234 ND2 ASN A 15 -21.852 -1.421 5.057 1.00 21.04 N ATOM 0 H ASN A 15 -17.254 0.430 4.204 1.00 32.31 H new ATOM 0 HA ASN A 15 -19.373 0.392 4.855 1.00 13.55 H new ATOM 0 HB2 ASN A 15 -19.444 -1.998 4.318 1.00 61.14 H new ATOM 0 HB3 ASN A 15 -18.834 -2.407 5.910 1.00 61.14 H new ATOM 0 HD21 ASN A 15 -22.820 -1.416 5.378 1.00 21.04 H new ATOM 0 HD22 ASN A 15 -21.636 -1.201 4.085 1.00 21.04 H new ATOM 241 N GLY A 16 -18.283 -0.509 7.865 1.00 22.44 N ATOM 242 CA GLY A 16 -18.166 -0.085 9.262 1.00 21.43 C ATOM 243 C GLY A 16 -17.223 -0.980 10.059 1.00 61.42 C ATOM 244 O GLY A 16 -17.252 -0.961 11.292 1.00 51.13 O ATOM 0 H GLY A 16 -17.945 -1.455 7.690 1.00 22.44 H new ATOM 0 HA2 GLY A 16 -17.806 0.943 9.299 1.00 21.43 H new ATOM 0 HA3 GLY A 16 -19.152 -0.094 9.726 1.00 21.43 H new ATOM 248 N LYS A 17 -16.387 -1.776 9.345 1.00 31.40 N ATOM 249 CA LYS A 17 -15.421 -2.720 9.961 1.00 52.42 C ATOM 250 C LYS A 17 -14.006 -2.496 9.394 1.00 31.22 C ATOM 251 O LYS A 17 -13.849 -2.004 8.270 1.00 30.54 O ATOM 252 CB LYS A 17 -15.845 -4.199 9.710 1.00 24.03 C ATOM 253 CG LYS A 17 -17.210 -4.610 10.317 1.00 21.00 C ATOM 254 CD LYS A 17 -17.607 -6.075 9.985 1.00 73.32 C ATOM 255 CE LYS A 17 -16.609 -7.120 10.526 1.00 0.03 C ATOM 256 NZ LYS A 17 -16.532 -7.103 12.015 1.00 31.01 N ATOM 0 H LYS A 17 -16.364 -1.781 8.325 1.00 31.40 H new ATOM 0 HA LYS A 17 -15.416 -2.530 11.034 1.00 52.42 H new ATOM 0 HB2 LYS A 17 -15.878 -4.372 8.634 1.00 24.03 H new ATOM 0 HB3 LYS A 17 -15.074 -4.854 10.115 1.00 24.03 H new ATOM 0 HG2 LYS A 17 -17.172 -4.486 11.399 1.00 21.00 H new ATOM 0 HG3 LYS A 17 -17.983 -3.937 9.946 1.00 21.00 H new ATOM 0 HD2 LYS A 17 -18.594 -6.278 10.399 1.00 73.32 H new ATOM 0 HD3 LYS A 17 -17.686 -6.186 8.904 1.00 73.32 H new ATOM 0 HE2 LYS A 17 -16.907 -8.113 10.190 1.00 0.03 H new ATOM 0 HE3 LYS A 17 -15.620 -6.926 10.110 1.00 0.03 H new ATOM 0 HZ1 LYS A 17 -15.889 -7.854 12.338 1.00 31.01 H new ATOM 0 HZ2 LYS A 17 -16.174 -6.180 12.334 1.00 31.01 H new ATOM 0 HZ3 LYS A 17 -17.479 -7.263 12.413 1.00 31.01 H new ATOM 270 N THR A 18 -12.987 -2.898 10.180 1.00 62.12 N ATOM 271 CA THR A 18 -11.566 -2.788 9.812 1.00 32.43 C ATOM 272 C THR A 18 -11.022 -4.173 9.408 1.00 43.41 C ATOM 273 O THR A 18 -11.086 -5.125 10.189 1.00 2.52 O ATOM 274 CB THR A 18 -10.723 -2.213 10.999 1.00 22.23 C ATOM 275 OG1 THR A 18 -11.268 -0.948 11.399 1.00 42.42 O ATOM 276 CG2 THR A 18 -9.238 -2.028 10.637 1.00 41.32 C ATOM 0 H THR A 18 -13.133 -3.313 11.100 1.00 62.12 H new ATOM 0 HA THR A 18 -11.482 -2.103 8.968 1.00 32.43 H new ATOM 0 HB THR A 18 -10.775 -2.936 11.813 1.00 22.23 H new ATOM 0 HG1 THR A 18 -10.743 -0.586 12.143 1.00 42.42 H new ATOM 0 HG21 THR A 18 -8.701 -1.627 11.497 1.00 41.32 H new ATOM 0 HG22 THR A 18 -8.809 -2.990 10.358 1.00 41.32 H new ATOM 0 HG23 THR A 18 -9.151 -1.336 9.800 1.00 41.32 H new ATOM 284 N TYR A 19 -10.510 -4.273 8.174 1.00 30.11 N ATOM 285 CA TYR A 19 -9.913 -5.502 7.619 1.00 14.12 C ATOM 286 C TYR A 19 -8.429 -5.229 7.346 1.00 52.22 C ATOM 287 O TYR A 19 -8.095 -4.522 6.391 1.00 12.31 O ATOM 288 CB TYR A 19 -10.644 -5.914 6.305 1.00 21.14 C ATOM 289 CG TYR A 19 -12.171 -5.961 6.437 1.00 12.11 C ATOM 290 CD1 TYR A 19 -12.827 -7.116 6.867 1.00 51.23 C ATOM 291 CD2 TYR A 19 -12.953 -4.835 6.148 1.00 5.12 C ATOM 292 CE1 TYR A 19 -14.202 -7.147 6.996 1.00 21.44 C ATOM 293 CE2 TYR A 19 -14.322 -4.863 6.278 1.00 42.05 C ATOM 294 CZ TYR A 19 -14.945 -6.018 6.701 1.00 70.02 C ATOM 295 OH TYR A 19 -16.319 -6.043 6.824 1.00 54.23 O ATOM 0 H TYR A 19 -10.497 -3.491 7.520 1.00 30.11 H new ATOM 0 HA TYR A 19 -10.016 -6.324 8.328 1.00 14.12 H new ATOM 0 HB2 TYR A 19 -10.378 -5.211 5.516 1.00 21.14 H new ATOM 0 HB3 TYR A 19 -10.285 -6.894 5.992 1.00 21.14 H new ATOM 0 HD1 TYR A 19 -12.251 -7.999 7.102 1.00 51.23 H new ATOM 0 HD2 TYR A 19 -12.471 -3.927 5.817 1.00 5.12 H new ATOM 0 HE1 TYR A 19 -14.695 -8.049 7.326 1.00 21.44 H new ATOM 0 HE2 TYR A 19 -14.906 -3.984 6.050 1.00 42.05 H new ATOM 0 HH TYR A 19 -16.685 -5.168 6.579 1.00 54.23 H new ATOM 305 N GLU A 20 -7.532 -5.762 8.187 1.00 21.32 N ATOM 306 CA GLU A 20 -6.088 -5.451 8.094 1.00 25.32 C ATOM 307 C GLU A 20 -5.216 -6.699 8.232 1.00 10.22 C ATOM 308 O GLU A 20 -5.631 -7.699 8.833 1.00 43.51 O ATOM 309 CB GLU A 20 -5.696 -4.400 9.158 1.00 42.03 C ATOM 310 CG GLU A 20 -5.965 -4.813 10.618 1.00 14.03 C ATOM 311 CD GLU A 20 -5.487 -3.756 11.617 1.00 10.54 C ATOM 312 OE1 GLU A 20 -4.282 -3.744 11.945 1.00 4.53 O ATOM 313 OE2 GLU A 20 -6.299 -2.916 12.059 1.00 70.22 O ATOM 0 H GLU A 20 -7.774 -6.408 8.938 1.00 21.32 H new ATOM 0 HA GLU A 20 -5.909 -5.041 7.100 1.00 25.32 H new ATOM 0 HB2 GLU A 20 -4.635 -4.176 9.050 1.00 42.03 H new ATOM 0 HB3 GLU A 20 -6.239 -3.478 8.952 1.00 42.03 H new ATOM 0 HG2 GLU A 20 -7.033 -4.982 10.755 1.00 14.03 H new ATOM 0 HG3 GLU A 20 -5.463 -5.758 10.824 1.00 14.03 H new ATOM 320 N ARG A 21 -4.005 -6.613 7.649 1.00 21.50 N ATOM 321 CA ARG A 21 -2.986 -7.667 7.710 1.00 53.32 C ATOM 322 C ARG A 21 -1.605 -7.075 7.356 1.00 22.31 C ATOM 323 O ARG A 21 -1.501 -6.210 6.476 1.00 23.34 O ATOM 324 CB ARG A 21 -3.354 -8.841 6.749 1.00 2.34 C ATOM 325 CG ARG A 21 -2.323 -9.990 6.723 1.00 61.10 C ATOM 326 CD ARG A 21 -2.751 -11.166 5.830 1.00 23.15 C ATOM 327 NE ARG A 21 -1.713 -12.205 5.776 1.00 42.12 N ATOM 328 CZ ARG A 21 -1.656 -13.204 4.885 1.00 41.24 C ATOM 329 NH1 ARG A 21 -2.583 -13.347 3.937 1.00 21.30 N ATOM 330 NH2 ARG A 21 -0.674 -14.081 4.952 1.00 15.15 N ATOM 0 H ARG A 21 -3.707 -5.796 7.116 1.00 21.50 H new ATOM 0 HA ARG A 21 -2.945 -8.067 8.723 1.00 53.32 H new ATOM 0 HB2 ARG A 21 -4.323 -9.245 7.043 1.00 2.34 H new ATOM 0 HB3 ARG A 21 -3.466 -8.446 5.739 1.00 2.34 H new ATOM 0 HG2 ARG A 21 -1.367 -9.604 6.371 1.00 61.10 H new ATOM 0 HG3 ARG A 21 -2.166 -10.352 7.739 1.00 61.10 H new ATOM 0 HD2 ARG A 21 -3.678 -11.595 6.211 1.00 23.15 H new ATOM 0 HD3 ARG A 21 -2.958 -10.804 4.823 1.00 23.15 H new ATOM 0 HE ARG A 21 -0.973 -12.162 6.477 1.00 42.12 H new ATOM 0 HH11 ARG A 21 -3.358 -12.687 3.878 1.00 21.30 H new ATOM 0 HH12 ARG A 21 -2.517 -14.116 3.271 1.00 21.30 H new ATOM 0 HH21 ARG A 21 0.036 -13.997 5.679 1.00 15.15 H new ATOM 0 HH22 ARG A 21 -0.625 -14.844 4.277 1.00 15.15 H new ATOM 344 N THR A 22 -0.568 -7.531 8.074 1.00 73.35 N ATOM 345 CA THR A 22 0.829 -7.176 7.806 1.00 4.24 C ATOM 346 C THR A 22 1.441 -8.214 6.828 1.00 42.10 C ATOM 347 O THR A 22 1.562 -9.396 7.166 1.00 4.10 O ATOM 348 CB THR A 22 1.634 -7.127 9.149 1.00 2.11 C ATOM 349 OG1 THR A 22 1.022 -6.171 10.042 1.00 2.05 O ATOM 350 CG2 THR A 22 3.109 -6.744 8.929 1.00 4.43 C ATOM 0 H THR A 22 -0.680 -8.164 8.866 1.00 73.35 H new ATOM 0 HA THR A 22 0.879 -6.189 7.346 1.00 4.24 H new ATOM 0 HB THR A 22 1.611 -8.127 9.583 1.00 2.11 H new ATOM 0 HG1 THR A 22 1.524 -6.141 10.883 1.00 2.05 H new ATOM 0 HG21 THR A 22 3.626 -6.723 9.888 1.00 4.43 H new ATOM 0 HG22 THR A 22 3.582 -7.478 8.277 1.00 4.43 H new ATOM 0 HG23 THR A 22 3.164 -5.759 8.465 1.00 4.43 H new ATOM 358 N TYR A 23 1.796 -7.764 5.612 1.00 74.53 N ATOM 359 CA TYR A 23 2.356 -8.630 4.551 1.00 34.43 C ATOM 360 C TYR A 23 3.887 -8.511 4.534 1.00 13.31 C ATOM 361 O TYR A 23 4.416 -7.404 4.503 1.00 34.33 O ATOM 362 CB TYR A 23 1.782 -8.218 3.167 1.00 23.51 C ATOM 363 CG TYR A 23 0.248 -8.288 3.078 1.00 74.21 C ATOM 364 CD1 TYR A 23 -0.405 -9.480 2.745 1.00 43.45 C ATOM 365 CD2 TYR A 23 -0.543 -7.164 3.340 1.00 74.53 C ATOM 366 CE1 TYR A 23 -1.786 -9.541 2.671 1.00 42.12 C ATOM 367 CE2 TYR A 23 -1.919 -7.223 3.271 1.00 64.24 C ATOM 368 CZ TYR A 23 -2.536 -8.407 2.938 1.00 15.34 C ATOM 369 OH TYR A 23 -3.914 -8.460 2.874 1.00 23.24 O ATOM 0 H TYR A 23 1.704 -6.787 5.333 1.00 74.53 H new ATOM 0 HA TYR A 23 2.079 -9.664 4.757 1.00 34.43 H new ATOM 0 HB2 TYR A 23 2.102 -7.201 2.941 1.00 23.51 H new ATOM 0 HB3 TYR A 23 2.210 -8.865 2.401 1.00 23.51 H new ATOM 0 HD1 TYR A 23 0.178 -10.366 2.543 1.00 43.45 H new ATOM 0 HD2 TYR A 23 -0.066 -6.231 3.602 1.00 74.53 H new ATOM 0 HE1 TYR A 23 -2.276 -10.467 2.407 1.00 42.12 H new ATOM 0 HE2 TYR A 23 -2.510 -6.343 3.478 1.00 64.24 H new ATOM 0 HH TYR A 23 -4.216 -8.088 2.019 1.00 23.24 H new ATOM 379 N GLN A 24 4.586 -9.656 4.546 1.00 1.32 N ATOM 380 CA GLN A 24 6.061 -9.693 4.507 1.00 51.32 C ATOM 381 C GLN A 24 6.498 -9.743 3.037 1.00 2.52 C ATOM 382 O GLN A 24 6.334 -10.771 2.372 1.00 55.14 O ATOM 383 CB GLN A 24 6.632 -10.917 5.291 1.00 2.24 C ATOM 384 CG GLN A 24 6.539 -10.837 6.837 1.00 23.25 C ATOM 385 CD GLN A 24 5.107 -10.777 7.382 1.00 61.21 C ATOM 386 OE1 GLN A 24 4.602 -9.577 7.619 1.00 64.23 O flip ATOM 387 NE2 GLN A 24 4.469 -11.806 7.618 1.00 71.04 N flip ATOM 0 H GLN A 24 4.151 -10.578 4.583 1.00 1.32 H new ATOM 0 HA GLN A 24 6.455 -8.800 4.992 1.00 51.32 H new ATOM 0 HB2 GLN A 24 6.105 -11.812 4.961 1.00 2.24 H new ATOM 0 HB3 GLN A 24 7.679 -11.043 5.016 1.00 2.24 H new ATOM 0 HG2 GLN A 24 7.042 -11.704 7.265 1.00 23.25 H new ATOM 0 HG3 GLN A 24 7.082 -9.955 7.177 1.00 23.25 H new ATOM 0 HE21 GLN A 24 4.883 -12.718 7.425 1.00 71.04 H new ATOM 0 HE22 GLN A 24 3.528 -11.745 8.006 1.00 71.04 H new ATOM 396 N LEU A 25 7.057 -8.632 2.540 1.00 62.40 N ATOM 397 CA LEU A 25 7.410 -8.470 1.121 1.00 53.43 C ATOM 398 C LEU A 25 8.905 -8.144 0.990 1.00 2.44 C ATOM 399 O LEU A 25 9.328 -7.017 1.246 1.00 2.21 O ATOM 400 CB LEU A 25 6.530 -7.359 0.456 1.00 32.43 C ATOM 401 CG LEU A 25 4.985 -7.610 0.452 1.00 62.51 C ATOM 402 CD1 LEU A 25 4.228 -6.472 -0.262 1.00 2.00 C ATOM 403 CD2 LEU A 25 4.645 -8.974 -0.179 1.00 31.12 C ATOM 0 H LEU A 25 7.278 -7.817 3.112 1.00 62.40 H new ATOM 0 HA LEU A 25 7.212 -9.405 0.597 1.00 53.43 H new ATOM 0 HB2 LEU A 25 6.723 -6.417 0.969 1.00 32.43 H new ATOM 0 HB3 LEU A 25 6.859 -7.233 -0.575 1.00 32.43 H new ATOM 0 HG LEU A 25 4.656 -7.626 1.491 1.00 62.51 H new ATOM 0 HD11 LEU A 25 3.158 -6.680 -0.245 1.00 2.00 H new ATOM 0 HD12 LEU A 25 4.422 -5.529 0.249 1.00 2.00 H new ATOM 0 HD13 LEU A 25 4.568 -6.401 -1.295 1.00 2.00 H new ATOM 0 HD21 LEU A 25 3.565 -9.121 -0.168 1.00 31.12 H new ATOM 0 HD22 LEU A 25 5.004 -8.999 -1.208 1.00 31.12 H new ATOM 0 HD23 LEU A 25 5.125 -9.769 0.392 1.00 31.12 H new ATOM 415 N TYR A 26 9.704 -9.165 0.641 1.00 63.20 N ATOM 416 CA TYR A 26 11.124 -8.991 0.327 1.00 22.22 C ATOM 417 C TYR A 26 11.280 -8.573 -1.141 1.00 4.10 C ATOM 418 O TYR A 26 10.694 -9.196 -2.030 1.00 11.13 O ATOM 419 CB TYR A 26 11.924 -10.296 0.600 1.00 22.43 C ATOM 420 CG TYR A 26 13.437 -10.148 0.349 1.00 51.14 C ATOM 421 CD1 TYR A 26 14.270 -9.605 1.322 1.00 24.23 C ATOM 422 CD2 TYR A 26 14.025 -10.513 -0.876 1.00 75.22 C ATOM 423 CE1 TYR A 26 15.616 -9.427 1.095 1.00 50.52 C ATOM 424 CE2 TYR A 26 15.379 -10.340 -1.100 1.00 3.25 C ATOM 425 CZ TYR A 26 16.167 -9.794 -0.109 1.00 11.33 C ATOM 426 OH TYR A 26 17.512 -9.593 -0.326 1.00 21.21 O ATOM 0 H TYR A 26 9.381 -10.130 0.570 1.00 63.20 H new ATOM 0 HA TYR A 26 11.526 -8.210 0.972 1.00 22.22 H new ATOM 0 HB2 TYR A 26 11.763 -10.603 1.633 1.00 22.43 H new ATOM 0 HB3 TYR A 26 11.534 -11.092 -0.034 1.00 22.43 H new ATOM 0 HD1 TYR A 26 13.852 -9.317 2.275 1.00 24.23 H new ATOM 0 HD2 TYR A 26 13.408 -10.936 -1.655 1.00 75.22 H new ATOM 0 HE1 TYR A 26 16.240 -8.998 1.865 1.00 50.52 H new ATOM 0 HE2 TYR A 26 15.816 -10.630 -2.044 1.00 3.25 H new ATOM 0 HH TYR A 26 17.749 -9.905 -1.224 1.00 21.21 H new ATOM 436 N ALA A 27 12.079 -7.536 -1.383 1.00 71.34 N ATOM 437 CA ALA A 27 12.403 -7.064 -2.734 1.00 34.31 C ATOM 438 C ALA A 27 13.909 -6.848 -2.849 1.00 31.55 C ATOM 439 O ALA A 27 14.565 -6.548 -1.855 1.00 2.14 O ATOM 440 CB ALA A 27 11.642 -5.772 -3.019 1.00 74.14 C ATOM 0 H ALA A 27 12.525 -6.993 -0.643 1.00 71.34 H new ATOM 0 HA ALA A 27 12.104 -7.809 -3.471 1.00 34.31 H new ATOM 0 HB1 ALA A 27 11.883 -5.422 -4.023 1.00 74.14 H new ATOM 0 HB2 ALA A 27 10.570 -5.958 -2.947 1.00 74.14 H new ATOM 0 HB3 ALA A 27 11.929 -5.013 -2.291 1.00 74.14 H new ATOM 446 N VAL A 28 14.441 -7.033 -4.068 1.00 74.01 N ATOM 447 CA VAL A 28 15.868 -6.801 -4.386 1.00 50.01 C ATOM 448 C VAL A 28 16.072 -5.325 -4.783 1.00 75.34 C ATOM 449 O VAL A 28 17.100 -4.704 -4.492 1.00 5.23 O ATOM 450 CB VAL A 28 16.339 -7.755 -5.550 1.00 33.33 C ATOM 451 CG1 VAL A 28 17.838 -7.564 -5.878 1.00 32.23 C ATOM 452 CG2 VAL A 28 16.026 -9.233 -5.212 1.00 71.34 C ATOM 0 H VAL A 28 13.894 -7.350 -4.868 1.00 74.01 H new ATOM 0 HA VAL A 28 16.470 -7.022 -3.504 1.00 50.01 H new ATOM 0 HB VAL A 28 15.777 -7.483 -6.443 1.00 33.33 H new ATOM 0 HG11 VAL A 28 18.123 -8.239 -6.685 1.00 32.23 H new ATOM 0 HG12 VAL A 28 18.014 -6.534 -6.188 1.00 32.23 H new ATOM 0 HG13 VAL A 28 18.435 -7.784 -4.993 1.00 32.23 H new ATOM 0 HG21 VAL A 28 16.360 -9.872 -6.030 1.00 71.34 H new ATOM 0 HG22 VAL A 28 16.545 -9.515 -4.296 1.00 71.34 H new ATOM 0 HG23 VAL A 28 14.952 -9.355 -5.072 1.00 71.34 H new ATOM 462 N ARG A 29 15.070 -4.801 -5.483 1.00 71.32 N ATOM 463 CA ARG A 29 14.927 -3.380 -5.799 1.00 64.02 C ATOM 464 C ARG A 29 13.591 -2.919 -5.216 1.00 72.23 C ATOM 465 O ARG A 29 12.678 -3.729 -5.055 1.00 5.13 O ATOM 466 CB ARG A 29 14.907 -3.140 -7.341 1.00 61.11 C ATOM 467 CG ARG A 29 16.060 -3.791 -8.129 1.00 25.22 C ATOM 468 CD ARG A 29 15.942 -3.558 -9.654 1.00 51.05 C ATOM 469 NE ARG A 29 16.885 -4.400 -10.402 1.00 33.40 N ATOM 470 CZ ARG A 29 17.174 -4.296 -11.706 1.00 60.11 C ATOM 471 NH1 ARG A 29 16.608 -3.358 -12.466 1.00 52.20 N ATOM 472 NH2 ARG A 29 18.018 -5.166 -12.255 1.00 14.42 N ATOM 0 H ARG A 29 14.311 -5.370 -5.858 1.00 71.32 H new ATOM 0 HA ARG A 29 15.770 -2.829 -5.382 1.00 64.02 H new ATOM 0 HB2 ARG A 29 13.963 -3.514 -7.737 1.00 61.11 H new ATOM 0 HB3 ARG A 29 14.926 -2.066 -7.524 1.00 61.11 H new ATOM 0 HG2 ARG A 29 17.010 -3.389 -7.776 1.00 25.22 H new ATOM 0 HG3 ARG A 29 16.073 -4.862 -7.928 1.00 25.22 H new ATOM 0 HD2 ARG A 29 14.924 -3.774 -9.978 1.00 51.05 H new ATOM 0 HD3 ARG A 29 16.133 -2.509 -9.879 1.00 51.05 H new ATOM 0 HE ARG A 29 17.365 -5.133 -9.879 1.00 33.40 H new ATOM 0 HH11 ARG A 29 15.942 -2.703 -12.056 1.00 52.20 H new ATOM 0 HH12 ARG A 29 16.841 -3.295 -13.457 1.00 52.20 H new ATOM 0 HH21 ARG A 29 18.436 -5.901 -11.684 1.00 14.42 H new ATOM 0 HH22 ARG A 29 18.247 -5.098 -13.247 1.00 14.42 H new ATOM 486 N ASP A 30 13.472 -1.624 -4.946 1.00 42.12 N ATOM 487 CA ASP A 30 12.176 -0.971 -4.656 1.00 32.44 C ATOM 488 C ASP A 30 11.177 -1.200 -5.820 1.00 74.54 C ATOM 489 O ASP A 30 9.965 -1.292 -5.608 1.00 15.32 O ATOM 490 CB ASP A 30 12.390 0.545 -4.404 1.00 21.53 C ATOM 491 CG ASP A 30 13.143 1.270 -5.546 1.00 11.41 C ATOM 492 OD1 ASP A 30 14.339 0.967 -5.761 1.00 30.12 O ATOM 493 OD2 ASP A 30 12.573 2.151 -6.203 1.00 25.44 O ATOM 0 H ASP A 30 14.267 -0.985 -4.919 1.00 42.12 H new ATOM 0 HA ASP A 30 11.752 -1.416 -3.756 1.00 32.44 H new ATOM 0 HB2 ASP A 30 11.419 1.020 -4.263 1.00 21.53 H new ATOM 0 HB3 ASP A 30 12.946 0.674 -3.476 1.00 21.53 H new ATOM 498 N GLU A 31 11.740 -1.325 -7.042 1.00 64.14 N ATOM 499 CA GLU A 31 10.997 -1.617 -8.281 1.00 65.43 C ATOM 500 C GLU A 31 10.354 -3.019 -8.255 1.00 33.13 C ATOM 501 O GLU A 31 9.317 -3.237 -8.884 1.00 21.45 O ATOM 502 CB GLU A 31 11.943 -1.490 -9.501 1.00 12.11 C ATOM 503 CG GLU A 31 12.570 -0.093 -9.669 1.00 3.32 C ATOM 504 CD GLU A 31 13.521 -0.025 -10.870 1.00 4.41 C ATOM 505 OE1 GLU A 31 14.674 -0.499 -10.753 1.00 34.31 O ATOM 506 OE2 GLU A 31 13.117 0.463 -11.944 1.00 44.25 O ATOM 0 H GLU A 31 12.743 -1.223 -7.194 1.00 64.14 H new ATOM 0 HA GLU A 31 10.189 -0.889 -8.362 1.00 65.43 H new ATOM 0 HB2 GLU A 31 12.742 -2.226 -9.406 1.00 12.11 H new ATOM 0 HB3 GLU A 31 11.387 -1.738 -10.405 1.00 12.11 H new ATOM 0 HG2 GLU A 31 11.778 0.646 -9.792 1.00 3.32 H new ATOM 0 HG3 GLU A 31 13.114 0.171 -8.762 1.00 3.32 H new ATOM 513 N GLU A 32 10.967 -3.968 -7.523 1.00 11.54 N ATOM 514 CA GLU A 32 10.405 -5.327 -7.372 1.00 30.02 C ATOM 515 C GLU A 32 9.107 -5.285 -6.547 1.00 65.31 C ATOM 516 O GLU A 32 8.189 -6.061 -6.797 1.00 45.13 O ATOM 517 CB GLU A 32 11.418 -6.291 -6.706 1.00 14.13 C ATOM 518 CG GLU A 32 12.781 -6.390 -7.412 1.00 10.14 C ATOM 519 CD GLU A 32 12.699 -6.788 -8.893 1.00 23.45 C ATOM 520 OE1 GLU A 32 12.529 -7.991 -9.179 1.00 61.23 O ATOM 521 OE2 GLU A 32 12.812 -5.901 -9.772 1.00 13.23 O ATOM 0 H GLU A 32 11.847 -3.822 -7.029 1.00 11.54 H new ATOM 0 HA GLU A 32 10.185 -5.702 -8.371 1.00 30.02 H new ATOM 0 HB2 GLU A 32 11.581 -5.969 -5.677 1.00 14.13 H new ATOM 0 HB3 GLU A 32 10.975 -7.286 -6.662 1.00 14.13 H new ATOM 0 HG2 GLU A 32 13.288 -5.428 -7.334 1.00 10.14 H new ATOM 0 HG3 GLU A 32 13.397 -7.119 -6.886 1.00 10.14 H new ATOM 528 N LEU A 33 9.044 -4.345 -5.588 1.00 43.53 N ATOM 529 CA LEU A 33 7.904 -4.199 -4.661 1.00 62.15 C ATOM 530 C LEU A 33 6.649 -3.643 -5.391 1.00 72.42 C ATOM 531 O LEU A 33 5.548 -3.757 -4.866 1.00 62.41 O ATOM 532 CB LEU A 33 8.317 -3.293 -3.444 1.00 72.01 C ATOM 533 CG LEU A 33 7.863 -3.758 -2.006 1.00 11.02 C ATOM 534 CD1 LEU A 33 6.335 -3.827 -1.835 1.00 32.24 C ATOM 535 CD2 LEU A 33 8.512 -5.095 -1.609 1.00 4.22 C ATOM 0 H LEU A 33 9.785 -3.661 -5.432 1.00 43.53 H new ATOM 0 HA LEU A 33 7.636 -5.184 -4.279 1.00 62.15 H new ATOM 0 HB2 LEU A 33 9.403 -3.206 -3.442 1.00 72.01 H new ATOM 0 HB3 LEU A 33 7.917 -2.294 -3.617 1.00 72.01 H new ATOM 0 HG LEU A 33 8.218 -2.982 -1.327 1.00 11.02 H new ATOM 0 HD11 LEU A 33 6.097 -4.154 -0.823 1.00 32.24 H new ATOM 0 HD12 LEU A 33 5.905 -2.841 -2.009 1.00 32.24 H new ATOM 0 HD13 LEU A 33 5.920 -4.536 -2.552 1.00 32.24 H new ATOM 0 HD21 LEU A 33 8.175 -5.382 -0.613 1.00 4.22 H new ATOM 0 HD22 LEU A 33 8.225 -5.865 -2.325 1.00 4.22 H new ATOM 0 HD23 LEU A 33 9.597 -4.987 -1.608 1.00 4.22 H new ATOM 547 N LYS A 34 6.837 -3.057 -6.597 1.00 44.33 N ATOM 548 CA LYS A 34 5.736 -2.483 -7.411 1.00 21.13 C ATOM 549 C LYS A 34 4.601 -3.500 -7.644 1.00 21.44 C ATOM 550 O LYS A 34 3.485 -3.310 -7.153 1.00 65.32 O ATOM 551 CB LYS A 34 6.269 -2.001 -8.788 1.00 42.22 C ATOM 552 CG LYS A 34 7.233 -0.803 -8.736 1.00 42.23 C ATOM 553 CD LYS A 34 7.801 -0.443 -10.130 1.00 31.02 C ATOM 554 CE LYS A 34 6.698 -0.143 -11.161 1.00 23.44 C ATOM 555 NZ LYS A 34 5.855 1.012 -10.751 1.00 44.51 N ATOM 0 H LYS A 34 7.754 -2.968 -7.034 1.00 44.33 H new ATOM 0 HA LYS A 34 5.336 -1.639 -6.850 1.00 21.13 H new ATOM 0 HB2 LYS A 34 6.776 -2.834 -9.275 1.00 42.22 H new ATOM 0 HB3 LYS A 34 5.418 -1.735 -9.416 1.00 42.22 H new ATOM 0 HG2 LYS A 34 6.712 0.062 -8.324 1.00 42.23 H new ATOM 0 HG3 LYS A 34 8.056 -1.031 -8.059 1.00 42.23 H new ATOM 0 HD2 LYS A 34 8.453 0.425 -10.039 1.00 31.02 H new ATOM 0 HD3 LYS A 34 8.416 -1.267 -10.491 1.00 31.02 H new ATOM 0 HE2 LYS A 34 7.153 0.065 -12.129 1.00 23.44 H new ATOM 0 HE3 LYS A 34 6.069 -1.025 -11.287 1.00 23.44 H new ATOM 0 HZ1 LYS A 34 5.157 1.214 -11.495 1.00 44.51 H new ATOM 0 HZ2 LYS A 34 5.361 0.784 -9.865 1.00 44.51 H new ATOM 0 HZ3 LYS A 34 6.457 1.847 -10.606 1.00 44.51 H new ATOM 569 N GLU A 35 4.932 -4.580 -8.376 1.00 34.15 N ATOM 570 CA GLU A 35 3.985 -5.648 -8.725 1.00 15.20 C ATOM 571 C GLU A 35 3.388 -6.333 -7.480 1.00 62.13 C ATOM 572 O GLU A 35 2.242 -6.788 -7.514 1.00 22.42 O ATOM 573 CB GLU A 35 4.665 -6.662 -9.700 1.00 32.23 C ATOM 574 CG GLU A 35 6.055 -7.229 -9.269 1.00 53.22 C ATOM 575 CD GLU A 35 6.042 -8.441 -8.307 1.00 3.12 C ATOM 576 OE1 GLU A 35 4.971 -9.043 -8.072 1.00 61.15 O ATOM 577 OE2 GLU A 35 7.124 -8.812 -7.800 1.00 14.13 O ATOM 0 H GLU A 35 5.871 -4.734 -8.743 1.00 34.15 H new ATOM 0 HA GLU A 35 3.137 -5.199 -9.241 1.00 15.20 H new ATOM 0 HB2 GLU A 35 3.986 -7.502 -9.845 1.00 32.23 H new ATOM 0 HB3 GLU A 35 4.782 -6.176 -10.669 1.00 32.23 H new ATOM 0 HG2 GLU A 35 6.600 -7.514 -10.169 1.00 53.22 H new ATOM 0 HG3 GLU A 35 6.619 -6.425 -8.796 1.00 53.22 H new ATOM 584 N LYS A 36 4.175 -6.372 -6.378 1.00 5.44 N ATOM 585 CA LYS A 36 3.739 -6.958 -5.098 1.00 3.43 C ATOM 586 C LYS A 36 2.597 -6.127 -4.501 1.00 51.13 C ATOM 587 O LYS A 36 1.569 -6.682 -4.123 1.00 0.01 O ATOM 588 CB LYS A 36 4.924 -7.069 -4.101 1.00 12.42 C ATOM 589 CG LYS A 36 6.164 -7.771 -4.690 1.00 75.23 C ATOM 590 CD LYS A 36 7.308 -7.956 -3.674 1.00 12.50 C ATOM 591 CE LYS A 36 8.648 -8.293 -4.356 1.00 32.11 C ATOM 592 NZ LYS A 36 8.553 -9.450 -5.280 1.00 34.13 N ATOM 0 H LYS A 36 5.124 -5.999 -6.356 1.00 5.44 H new ATOM 0 HA LYS A 36 3.374 -7.967 -5.287 1.00 3.43 H new ATOM 0 HB2 LYS A 36 5.206 -6.069 -3.772 1.00 12.42 H new ATOM 0 HB3 LYS A 36 4.594 -7.614 -3.217 1.00 12.42 H new ATOM 0 HG2 LYS A 36 5.870 -8.747 -5.075 1.00 75.23 H new ATOM 0 HG3 LYS A 36 6.531 -7.192 -5.537 1.00 75.23 H new ATOM 0 HD2 LYS A 36 7.421 -7.044 -3.087 1.00 12.50 H new ATOM 0 HD3 LYS A 36 7.047 -8.753 -2.978 1.00 12.50 H new ATOM 0 HE2 LYS A 36 8.997 -7.421 -4.909 1.00 32.11 H new ATOM 0 HE3 LYS A 36 9.395 -8.506 -3.591 1.00 32.11 H new ATOM 0 HZ1 LYS A 36 9.509 -9.768 -5.537 1.00 34.13 H new ATOM 0 HZ2 LYS A 36 8.044 -10.227 -4.812 1.00 34.13 H new ATOM 0 HZ3 LYS A 36 8.040 -9.167 -6.139 1.00 34.13 H new ATOM 606 N LEU A 37 2.786 -4.787 -4.486 1.00 2.31 N ATOM 607 CA LEU A 37 1.776 -3.826 -4.001 1.00 13.45 C ATOM 608 C LEU A 37 0.478 -3.938 -4.810 1.00 4.01 C ATOM 609 O LEU A 37 -0.605 -3.933 -4.222 1.00 72.45 O ATOM 610 CB LEU A 37 2.311 -2.374 -4.095 1.00 52.05 C ATOM 611 CG LEU A 37 3.466 -2.006 -3.129 1.00 72.34 C ATOM 612 CD1 LEU A 37 4.083 -0.656 -3.516 1.00 22.12 C ATOM 613 CD2 LEU A 37 2.992 -2.006 -1.660 1.00 3.33 C ATOM 0 H LEU A 37 3.645 -4.344 -4.811 1.00 2.31 H new ATOM 0 HA LEU A 37 1.568 -4.068 -2.959 1.00 13.45 H new ATOM 0 HB2 LEU A 37 2.650 -2.199 -5.116 1.00 52.05 H new ATOM 0 HB3 LEU A 37 1.481 -1.691 -3.913 1.00 52.05 H new ATOM 0 HG LEU A 37 4.238 -2.770 -3.220 1.00 72.34 H new ATOM 0 HD11 LEU A 37 4.892 -0.415 -2.827 1.00 22.12 H new ATOM 0 HD12 LEU A 37 4.476 -0.713 -4.531 1.00 22.12 H new ATOM 0 HD13 LEU A 37 3.320 0.121 -3.466 1.00 22.12 H new ATOM 0 HD21 LEU A 37 3.826 -1.744 -1.009 1.00 3.33 H new ATOM 0 HD22 LEU A 37 2.192 -1.277 -1.536 1.00 3.33 H new ATOM 0 HD23 LEU A 37 2.623 -2.997 -1.397 1.00 3.33 H new ATOM 625 N LYS A 38 0.610 -4.044 -6.157 1.00 45.33 N ATOM 626 CA LYS A 38 -0.539 -4.158 -7.071 1.00 73.31 C ATOM 627 C LYS A 38 -1.398 -5.381 -6.728 1.00 32.55 C ATOM 628 O LYS A 38 -2.601 -5.239 -6.523 1.00 53.40 O ATOM 629 CB LYS A 38 -0.064 -4.200 -8.552 1.00 72.11 C ATOM 630 CG LYS A 38 0.739 -2.949 -8.970 1.00 71.25 C ATOM 631 CD LYS A 38 1.132 -2.927 -10.465 1.00 2.45 C ATOM 632 CE LYS A 38 -0.082 -2.807 -11.405 1.00 0.13 C ATOM 633 NZ LYS A 38 0.334 -2.714 -12.833 1.00 54.52 N ATOM 0 H LYS A 38 1.513 -4.052 -6.631 1.00 45.33 H new ATOM 0 HA LYS A 38 -1.162 -3.272 -6.944 1.00 73.31 H new ATOM 0 HB2 LYS A 38 0.552 -5.086 -8.704 1.00 72.11 H new ATOM 0 HB3 LYS A 38 -0.933 -4.300 -9.203 1.00 72.11 H new ATOM 0 HG2 LYS A 38 0.150 -2.060 -8.746 1.00 71.25 H new ATOM 0 HG3 LYS A 38 1.644 -2.892 -8.366 1.00 71.25 H new ATOM 0 HD2 LYS A 38 1.808 -2.091 -10.645 1.00 2.45 H new ATOM 0 HD3 LYS A 38 1.681 -3.838 -10.704 1.00 2.45 H new ATOM 0 HE2 LYS A 38 -0.733 -3.671 -11.271 1.00 0.13 H new ATOM 0 HE3 LYS A 38 -0.664 -1.925 -11.137 1.00 0.13 H new ATOM 0 HZ1 LYS A 38 -0.457 -2.351 -13.402 1.00 54.52 H new ATOM 0 HZ2 LYS A 38 1.145 -2.069 -12.917 1.00 54.52 H new ATOM 0 HZ3 LYS A 38 0.605 -3.657 -13.178 1.00 54.52 H new ATOM 647 N LYS A 39 -0.754 -6.561 -6.602 1.00 64.44 N ATOM 648 CA LYS A 39 -1.464 -7.819 -6.301 1.00 3.34 C ATOM 649 C LYS A 39 -2.085 -7.789 -4.888 1.00 3.20 C ATOM 650 O LYS A 39 -3.258 -8.106 -4.744 1.00 21.11 O ATOM 651 CB LYS A 39 -0.543 -9.054 -6.469 1.00 42.11 C ATOM 652 CG LYS A 39 0.095 -9.191 -7.872 1.00 25.42 C ATOM 653 CD LYS A 39 -0.924 -9.149 -9.038 1.00 43.31 C ATOM 654 CE LYS A 39 -0.237 -9.256 -10.412 1.00 13.24 C ATOM 655 NZ LYS A 39 -1.203 -9.079 -11.526 1.00 25.04 N ATOM 0 H LYS A 39 0.255 -6.667 -6.704 1.00 64.44 H new ATOM 0 HA LYS A 39 -2.273 -7.909 -7.026 1.00 3.34 H new ATOM 0 HB2 LYS A 39 0.252 -9.003 -5.725 1.00 42.11 H new ATOM 0 HB3 LYS A 39 -1.120 -9.954 -6.257 1.00 42.11 H new ATOM 0 HG2 LYS A 39 0.821 -8.389 -8.009 1.00 25.42 H new ATOM 0 HG3 LYS A 39 0.646 -10.131 -7.919 1.00 25.42 H new ATOM 0 HD2 LYS A 39 -1.637 -9.966 -8.925 1.00 43.31 H new ATOM 0 HD3 LYS A 39 -1.492 -8.220 -8.989 1.00 43.31 H new ATOM 0 HE2 LYS A 39 0.546 -8.502 -10.487 1.00 13.24 H new ATOM 0 HE3 LYS A 39 0.247 -10.228 -10.502 1.00 13.24 H new ATOM 0 HZ1 LYS A 39 -0.703 -9.158 -12.435 1.00 25.04 H new ATOM 0 HZ2 LYS A 39 -1.937 -9.814 -11.470 1.00 25.04 H new ATOM 0 HZ3 LYS A 39 -1.647 -8.141 -11.455 1.00 25.04 H new ATOM 669 N VAL A 40 -1.295 -7.357 -3.874 1.00 41.11 N ATOM 670 CA VAL A 40 -1.748 -7.254 -2.459 1.00 40.31 C ATOM 671 C VAL A 40 -3.029 -6.391 -2.333 1.00 14.30 C ATOM 672 O VAL A 40 -3.967 -6.774 -1.628 1.00 2.23 O ATOM 673 CB VAL A 40 -0.599 -6.675 -1.523 1.00 64.31 C ATOM 674 CG1 VAL A 40 -1.127 -6.245 -0.136 1.00 10.45 C ATOM 675 CG2 VAL A 40 0.558 -7.693 -1.351 1.00 3.44 C ATOM 0 H VAL A 40 -0.326 -7.070 -4.011 1.00 41.11 H new ATOM 0 HA VAL A 40 -1.985 -8.265 -2.126 1.00 40.31 H new ATOM 0 HB VAL A 40 -0.218 -5.786 -2.026 1.00 64.31 H new ATOM 0 HG11 VAL A 40 -0.303 -5.857 0.463 1.00 10.45 H new ATOM 0 HG12 VAL A 40 -1.883 -5.469 -0.259 1.00 10.45 H new ATOM 0 HG13 VAL A 40 -1.569 -7.105 0.368 1.00 10.45 H new ATOM 0 HG21 VAL A 40 1.326 -7.266 -0.706 1.00 3.44 H new ATOM 0 HG22 VAL A 40 0.174 -8.608 -0.900 1.00 3.44 H new ATOM 0 HG23 VAL A 40 0.989 -7.922 -2.326 1.00 3.44 H new ATOM 685 N LEU A 41 -3.051 -5.250 -3.047 1.00 5.30 N ATOM 686 CA LEU A 41 -4.194 -4.322 -3.049 1.00 51.04 C ATOM 687 C LEU A 41 -5.436 -4.966 -3.700 1.00 73.43 C ATOM 688 O LEU A 41 -6.512 -4.925 -3.111 1.00 64.33 O ATOM 689 CB LEU A 41 -3.815 -2.980 -3.748 1.00 71.25 C ATOM 690 CG LEU A 41 -2.939 -2.001 -2.902 1.00 3.35 C ATOM 691 CD1 LEU A 41 -2.487 -0.790 -3.741 1.00 43.04 C ATOM 692 CD2 LEU A 41 -3.695 -1.547 -1.635 1.00 72.11 C ATOM 0 H LEU A 41 -2.277 -4.947 -3.638 1.00 5.30 H new ATOM 0 HA LEU A 41 -4.450 -4.099 -2.013 1.00 51.04 H new ATOM 0 HB2 LEU A 41 -3.283 -3.210 -4.671 1.00 71.25 H new ATOM 0 HB3 LEU A 41 -4.734 -2.466 -4.029 1.00 71.25 H new ATOM 0 HG LEU A 41 -2.043 -2.537 -2.588 1.00 3.35 H new ATOM 0 HD11 LEU A 41 -1.879 -0.127 -3.125 1.00 43.04 H new ATOM 0 HD12 LEU A 41 -1.899 -1.136 -4.591 1.00 43.04 H new ATOM 0 HD13 LEU A 41 -3.363 -0.250 -4.101 1.00 43.04 H new ATOM 0 HD21 LEU A 41 -3.067 -0.866 -1.061 1.00 72.11 H new ATOM 0 HD22 LEU A 41 -4.614 -1.037 -1.923 1.00 72.11 H new ATOM 0 HD23 LEU A 41 -3.939 -2.417 -1.025 1.00 72.11 H new ATOM 704 N ASN A 42 -5.259 -5.575 -4.892 1.00 53.55 N ATOM 705 CA ASN A 42 -6.357 -6.250 -5.633 1.00 51.53 C ATOM 706 C ASN A 42 -6.995 -7.377 -4.793 1.00 71.41 C ATOM 707 O ASN A 42 -8.210 -7.432 -4.642 1.00 12.44 O ATOM 708 CB ASN A 42 -5.837 -6.848 -6.974 1.00 74.25 C ATOM 709 CG ASN A 42 -5.276 -5.813 -7.949 1.00 34.20 C ATOM 710 OD1 ASN A 42 -5.726 -4.669 -8.013 1.00 41.41 O ATOM 711 ND2 ASN A 42 -4.288 -6.217 -8.724 1.00 71.42 N ATOM 0 H ASN A 42 -4.358 -5.615 -5.369 1.00 53.55 H new ATOM 0 HA ASN A 42 -7.113 -5.493 -5.841 1.00 51.53 H new ATOM 0 HB2 ASN A 42 -5.061 -7.581 -6.755 1.00 74.25 H new ATOM 0 HB3 ASN A 42 -6.653 -7.383 -7.460 1.00 74.25 H new ATOM 0 HD21 ASN A 42 -3.875 -5.575 -9.400 1.00 71.42 H new ATOM 0 HD22 ASN A 42 -3.937 -7.172 -8.647 1.00 71.42 H new ATOM 718 N GLU A 43 -6.130 -8.242 -4.230 1.00 13.11 N ATOM 719 CA GLU A 43 -6.528 -9.436 -3.456 1.00 71.31 C ATOM 720 C GLU A 43 -7.222 -9.052 -2.146 1.00 42.22 C ATOM 721 O GLU A 43 -8.183 -9.711 -1.738 1.00 11.24 O ATOM 722 CB GLU A 43 -5.282 -10.319 -3.163 1.00 55.44 C ATOM 723 CG GLU A 43 -4.613 -10.921 -4.418 1.00 24.21 C ATOM 724 CD GLU A 43 -3.404 -11.801 -4.090 1.00 43.03 C ATOM 725 OE1 GLU A 43 -3.601 -12.948 -3.620 1.00 40.14 O ATOM 726 OE2 GLU A 43 -2.254 -11.350 -4.275 1.00 21.11 O ATOM 0 H GLU A 43 -5.119 -8.130 -4.301 1.00 13.11 H new ATOM 0 HA GLU A 43 -7.240 -10.002 -4.056 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -4.546 -9.720 -2.627 1.00 55.44 H new ATOM 0 HB3 GLU A 43 -5.577 -11.132 -2.499 1.00 55.44 H new ATOM 0 HG2 GLU A 43 -5.347 -11.512 -4.966 1.00 24.21 H new ATOM 0 HG3 GLU A 43 -4.298 -10.113 -5.078 1.00 24.21 H new ATOM 733 N ARG A 44 -6.705 -8.001 -1.479 1.00 74.14 N ATOM 734 CA ARG A 44 -7.305 -7.464 -0.252 1.00 74.40 C ATOM 735 C ARG A 44 -8.686 -6.849 -0.545 1.00 3.53 C ATOM 736 O ARG A 44 -9.635 -7.050 0.216 1.00 51.15 O ATOM 737 CB ARG A 44 -6.369 -6.409 0.424 1.00 2.24 C ATOM 738 CG ARG A 44 -6.881 -5.804 1.770 1.00 34.31 C ATOM 739 CD ARG A 44 -6.928 -6.806 2.950 1.00 63.34 C ATOM 740 NE ARG A 44 -7.880 -7.918 2.730 1.00 22.01 N ATOM 741 CZ ARG A 44 -7.604 -9.231 2.859 1.00 72.42 C ATOM 742 NH1 ARG A 44 -6.397 -9.651 3.234 1.00 75.41 N ATOM 743 NH2 ARG A 44 -8.539 -10.120 2.576 1.00 41.45 N ATOM 0 H ARG A 44 -5.864 -7.506 -1.778 1.00 74.14 H new ATOM 0 HA ARG A 44 -7.434 -8.293 0.444 1.00 74.40 H new ATOM 0 HB2 ARG A 44 -5.400 -6.874 0.603 1.00 2.24 H new ATOM 0 HB3 ARG A 44 -6.206 -5.593 -0.280 1.00 2.24 H new ATOM 0 HG2 ARG A 44 -6.238 -4.968 2.046 1.00 34.31 H new ATOM 0 HG3 ARG A 44 -7.881 -5.399 1.614 1.00 34.31 H new ATOM 0 HD2 ARG A 44 -5.931 -7.216 3.111 1.00 63.34 H new ATOM 0 HD3 ARG A 44 -7.204 -6.274 3.860 1.00 63.34 H new ATOM 0 HE ARG A 44 -8.830 -7.668 2.456 1.00 22.01 H new ATOM 0 HH11 ARG A 44 -5.660 -8.974 3.430 1.00 75.41 H new ATOM 0 HH12 ARG A 44 -6.210 -10.650 3.325 1.00 75.41 H new ATOM 0 HH21 ARG A 44 -9.459 -9.810 2.263 1.00 41.45 H new ATOM 0 HH22 ARG A 44 -8.341 -11.116 2.670 1.00 41.45 H new ATOM 757 N MET A 45 -8.779 -6.130 -1.676 1.00 35.12 N ATOM 758 CA MET A 45 -9.969 -5.335 -2.024 1.00 62.43 C ATOM 759 C MET A 45 -10.993 -6.091 -2.883 1.00 53.43 C ATOM 760 O MET A 45 -12.099 -5.578 -3.089 1.00 52.35 O ATOM 761 CB MET A 45 -9.557 -4.014 -2.709 1.00 13.40 C ATOM 762 CG MET A 45 -8.799 -3.042 -1.794 1.00 11.54 C ATOM 763 SD MET A 45 -8.828 -1.355 -2.416 1.00 61.00 S ATOM 764 CE MET A 45 -10.580 -0.968 -2.394 1.00 15.21 C ATOM 0 H MET A 45 -8.035 -6.083 -2.372 1.00 35.12 H new ATOM 0 HA MET A 45 -10.471 -5.118 -1.081 1.00 62.43 H new ATOM 0 HB2 MET A 45 -8.933 -4.244 -3.572 1.00 13.40 H new ATOM 0 HB3 MET A 45 -10.452 -3.518 -3.086 1.00 13.40 H new ATOM 0 HG2 MET A 45 -9.239 -3.067 -0.797 1.00 11.54 H new ATOM 0 HG3 MET A 45 -7.765 -3.372 -1.694 1.00 11.54 H new ATOM 0 HE1 MET A 45 -10.718 0.102 -2.549 1.00 15.21 H new ATOM 0 HE2 MET A 45 -11.084 -1.518 -3.189 1.00 15.21 H new ATOM 0 HE3 MET A 45 -11.004 -1.253 -1.431 1.00 15.21 H new ATOM 774 N ASP A 46 -10.647 -7.295 -3.358 1.00 55.21 N ATOM 775 CA ASP A 46 -11.555 -8.105 -4.201 1.00 51.44 C ATOM 776 C ASP A 46 -12.803 -8.595 -3.396 1.00 31.31 C ATOM 777 O ASP A 46 -13.927 -8.497 -3.911 1.00 43.01 O ATOM 778 CB ASP A 46 -10.801 -9.276 -4.896 1.00 54.44 C ATOM 779 CG ASP A 46 -11.631 -9.946 -5.999 1.00 61.14 C ATOM 780 OD1 ASP A 46 -11.893 -9.284 -7.032 1.00 73.02 O ATOM 781 OD2 ASP A 46 -12.026 -11.127 -5.852 1.00 12.33 O ATOM 0 H ASP A 46 -9.745 -7.735 -3.176 1.00 55.21 H new ATOM 0 HA ASP A 46 -11.929 -7.459 -4.996 1.00 51.44 H new ATOM 0 HB2 ASP A 46 -9.872 -8.900 -5.324 1.00 54.44 H new ATOM 0 HB3 ASP A 46 -10.529 -10.021 -4.149 1.00 54.44 H new ATOM 786 N PRO A 47 -12.657 -9.119 -2.121 1.00 11.20 N ATOM 787 CA PRO A 47 -13.833 -9.389 -1.246 1.00 50.02 C ATOM 788 C PRO A 47 -14.507 -8.097 -0.715 1.00 14.34 C ATOM 789 O PRO A 47 -15.686 -8.124 -0.374 1.00 21.24 O ATOM 790 CB PRO A 47 -13.231 -10.235 -0.096 1.00 60.13 C ATOM 791 CG PRO A 47 -11.793 -9.817 -0.033 1.00 11.50 C ATOM 792 CD PRO A 47 -11.386 -9.577 -1.469 1.00 10.43 C ATOM 0 HA PRO A 47 -14.635 -9.895 -1.783 1.00 50.02 H new ATOM 0 HB2 PRO A 47 -13.742 -10.042 0.847 1.00 60.13 H new ATOM 0 HB3 PRO A 47 -13.325 -11.302 -0.297 1.00 60.13 H new ATOM 0 HG2 PRO A 47 -11.671 -8.915 0.567 1.00 11.50 H new ATOM 0 HG3 PRO A 47 -11.178 -10.591 0.426 1.00 11.50 H new ATOM 0 HD2 PRO A 47 -10.602 -8.823 -1.543 1.00 10.43 H new ATOM 0 HD3 PRO A 47 -11.001 -10.484 -1.934 1.00 10.43 H new ATOM 800 N ILE A 48 -13.751 -6.977 -0.673 1.00 41.04 N ATOM 801 CA ILE A 48 -14.259 -5.660 -0.199 1.00 33.54 C ATOM 802 C ILE A 48 -15.339 -5.113 -1.170 1.00 60.12 C ATOM 803 O ILE A 48 -16.302 -4.455 -0.737 1.00 51.10 O ATOM 804 CB ILE A 48 -13.073 -4.635 -0.045 1.00 55.13 C ATOM 805 CG1 ILE A 48 -12.043 -5.115 1.029 1.00 74.23 C ATOM 806 CG2 ILE A 48 -13.554 -3.195 0.247 1.00 44.00 C ATOM 807 CD1 ILE A 48 -12.557 -5.223 2.455 1.00 54.54 C ATOM 0 H ILE A 48 -12.774 -6.955 -0.965 1.00 41.04 H new ATOM 0 HA ILE A 48 -14.719 -5.797 0.779 1.00 33.54 H new ATOM 0 HB ILE A 48 -12.570 -4.602 -1.011 1.00 55.13 H new ATOM 0 HG12 ILE A 48 -11.664 -6.091 0.727 1.00 74.23 H new ATOM 0 HG13 ILE A 48 -11.196 -4.429 1.022 1.00 74.23 H new ATOM 0 HG21 ILE A 48 -12.691 -2.536 0.343 1.00 44.00 H new ATOM 0 HG22 ILE A 48 -14.186 -2.850 -0.571 1.00 44.00 H new ATOM 0 HG23 ILE A 48 -14.124 -3.183 1.176 1.00 44.00 H new ATOM 0 HD11 ILE A 48 -11.753 -5.565 3.107 1.00 54.54 H new ATOM 0 HD12 ILE A 48 -12.906 -4.247 2.791 1.00 54.54 H new ATOM 0 HD13 ILE A 48 -13.381 -5.935 2.492 1.00 54.54 H new ATOM 819 N LYS A 49 -15.176 -5.433 -2.478 1.00 54.45 N ATOM 820 CA LYS A 49 -16.182 -5.131 -3.522 1.00 5.12 C ATOM 821 C LYS A 49 -17.531 -5.755 -3.123 1.00 61.30 C ATOM 822 O LYS A 49 -18.554 -5.081 -3.054 1.00 65.11 O ATOM 823 CB LYS A 49 -15.744 -5.730 -4.892 1.00 61.21 C ATOM 824 CG LYS A 49 -14.326 -5.350 -5.361 1.00 62.21 C ATOM 825 CD LYS A 49 -13.935 -6.062 -6.679 1.00 62.21 C ATOM 826 CE LYS A 49 -12.501 -5.742 -7.140 1.00 24.40 C ATOM 827 NZ LYS A 49 -12.112 -6.540 -8.340 1.00 54.02 N ATOM 0 H LYS A 49 -14.346 -5.906 -2.836 1.00 54.45 H new ATOM 0 HA LYS A 49 -16.273 -4.049 -3.614 1.00 5.12 H new ATOM 0 HB2 LYS A 49 -15.808 -6.816 -4.831 1.00 61.21 H new ATOM 0 HB3 LYS A 49 -16.457 -5.411 -5.652 1.00 61.21 H new ATOM 0 HG2 LYS A 49 -14.269 -4.271 -5.502 1.00 62.21 H new ATOM 0 HG3 LYS A 49 -13.607 -5.608 -4.584 1.00 62.21 H new ATOM 0 HD2 LYS A 49 -14.035 -7.139 -6.546 1.00 62.21 H new ATOM 0 HD3 LYS A 49 -14.635 -5.772 -7.463 1.00 62.21 H new ATOM 0 HE2 LYS A 49 -12.422 -4.679 -7.369 1.00 24.40 H new ATOM 0 HE3 LYS A 49 -11.804 -5.946 -6.327 1.00 24.40 H new ATOM 0 HZ1 LYS A 49 -11.222 -6.169 -8.730 1.00 54.02 H new ATOM 0 HZ2 LYS A 49 -11.982 -7.535 -8.068 1.00 54.02 H new ATOM 0 HZ3 LYS A 49 -12.860 -6.473 -9.059 1.00 54.02 H new ATOM 841 N LYS A 50 -17.455 -7.045 -2.784 1.00 42.13 N ATOM 842 CA LYS A 50 -18.602 -7.878 -2.420 1.00 33.53 C ATOM 843 C LYS A 50 -19.256 -7.397 -1.106 1.00 64.51 C ATOM 844 O LYS A 50 -20.467 -7.551 -0.925 1.00 33.04 O ATOM 845 CB LYS A 50 -18.125 -9.348 -2.325 1.00 52.21 C ATOM 846 CG LYS A 50 -19.203 -10.348 -1.878 1.00 43.34 C ATOM 847 CD LYS A 50 -18.745 -11.817 -1.950 1.00 10.45 C ATOM 848 CE LYS A 50 -17.494 -12.111 -1.109 1.00 41.30 C ATOM 849 NZ LYS A 50 -17.042 -13.517 -1.290 1.00 11.51 N ATOM 0 H LYS A 50 -16.570 -7.551 -2.755 1.00 42.13 H new ATOM 0 HA LYS A 50 -19.374 -7.799 -3.186 1.00 33.53 H new ATOM 0 HB2 LYS A 50 -17.746 -9.656 -3.299 1.00 52.21 H new ATOM 0 HB3 LYS A 50 -17.290 -9.400 -1.627 1.00 52.21 H new ATOM 0 HG2 LYS A 50 -19.499 -10.118 -0.855 1.00 43.34 H new ATOM 0 HG3 LYS A 50 -20.087 -10.220 -2.502 1.00 43.34 H new ATOM 0 HD2 LYS A 50 -19.558 -12.460 -1.614 1.00 10.45 H new ATOM 0 HD3 LYS A 50 -18.543 -12.076 -2.989 1.00 10.45 H new ATOM 0 HE2 LYS A 50 -16.693 -11.429 -1.394 1.00 41.30 H new ATOM 0 HE3 LYS A 50 -17.709 -11.928 -0.056 1.00 41.30 H new ATOM 0 HZ1 LYS A 50 -16.196 -13.687 -0.710 1.00 11.51 H new ATOM 0 HZ2 LYS A 50 -17.799 -14.166 -0.995 1.00 11.51 H new ATOM 0 HZ3 LYS A 50 -16.815 -13.682 -2.291 1.00 11.51 H new ATOM 863 N LEU A 51 -18.456 -6.793 -0.207 1.00 32.44 N ATOM 864 CA LEU A 51 -18.970 -6.203 1.045 1.00 51.13 C ATOM 865 C LEU A 51 -19.763 -4.914 0.756 1.00 24.43 C ATOM 866 O LEU A 51 -20.673 -4.560 1.516 1.00 51.44 O ATOM 867 CB LEU A 51 -17.810 -5.915 2.034 1.00 41.34 C ATOM 868 CG LEU A 51 -16.949 -7.146 2.444 1.00 72.24 C ATOM 869 CD1 LEU A 51 -15.798 -6.723 3.362 1.00 20.31 C ATOM 870 CD2 LEU A 51 -17.807 -8.252 3.093 1.00 12.31 C ATOM 0 H LEU A 51 -17.447 -6.700 -0.325 1.00 32.44 H new ATOM 0 HA LEU A 51 -19.644 -6.925 1.506 1.00 51.13 H new ATOM 0 HB2 LEU A 51 -17.153 -5.168 1.587 1.00 41.34 H new ATOM 0 HB3 LEU A 51 -18.229 -5.471 2.937 1.00 41.34 H new ATOM 0 HG LEU A 51 -16.519 -7.566 1.535 1.00 72.24 H new ATOM 0 HD11 LEU A 51 -15.210 -7.599 3.636 1.00 20.31 H new ATOM 0 HD12 LEU A 51 -15.162 -6.007 2.842 1.00 20.31 H new ATOM 0 HD13 LEU A 51 -16.202 -6.261 4.263 1.00 20.31 H new ATOM 0 HD21 LEU A 51 -17.170 -9.094 3.365 1.00 12.31 H new ATOM 0 HD22 LEU A 51 -18.291 -7.859 3.987 1.00 12.31 H new ATOM 0 HD23 LEU A 51 -18.567 -8.585 2.386 1.00 12.31 H new ATOM 882 N GLY A 52 -19.380 -4.214 -0.333 1.00 4.43 N ATOM 883 CA GLY A 52 -20.155 -3.089 -0.856 1.00 53.22 C ATOM 884 C GLY A 52 -20.073 -1.842 0.027 1.00 14.52 C ATOM 885 O GLY A 52 -20.945 -1.613 0.875 1.00 43.51 O ATOM 0 H GLY A 52 -18.533 -4.417 -0.863 1.00 4.43 H new ATOM 0 HA2 GLY A 52 -19.798 -2.843 -1.856 1.00 53.22 H new ATOM 0 HA3 GLY A 52 -21.198 -3.389 -0.955 1.00 53.22 H new ATOM 889 N CYS A 53 -19.014 -1.044 -0.168 1.00 61.43 N ATOM 890 CA CYS A 53 -18.782 0.194 0.596 1.00 52.44 C ATOM 891 C CYS A 53 -18.444 1.372 -0.339 1.00 2.14 C ATOM 892 O CYS A 53 -17.634 1.236 -1.268 1.00 13.25 O ATOM 893 CB CYS A 53 -17.671 -0.047 1.649 1.00 1.35 C ATOM 894 SG CYS A 53 -16.329 -1.155 1.097 1.00 10.55 S ATOM 0 H CYS A 53 -18.291 -1.238 -0.861 1.00 61.43 H new ATOM 0 HA CYS A 53 -19.698 0.467 1.120 1.00 52.44 H new ATOM 0 HB2 CYS A 53 -17.239 0.914 1.929 1.00 1.35 H new ATOM 0 HB3 CYS A 53 -18.124 -0.466 2.547 1.00 1.35 H new ATOM 899 N LYS A 54 -19.105 2.525 -0.070 1.00 13.34 N ATOM 900 CA LYS A 54 -18.960 3.768 -0.851 1.00 43.10 C ATOM 901 C LYS A 54 -17.600 4.418 -0.581 1.00 61.12 C ATOM 902 O LYS A 54 -16.992 4.987 -1.482 1.00 25.14 O ATOM 903 CB LYS A 54 -20.106 4.771 -0.510 1.00 63.34 C ATOM 904 CG LYS A 54 -21.534 4.243 -0.776 1.00 10.22 C ATOM 905 CD LYS A 54 -21.797 3.913 -2.266 1.00 65.32 C ATOM 906 CE LYS A 54 -23.235 3.410 -2.515 1.00 71.14 C ATOM 907 NZ LYS A 54 -24.265 4.443 -2.211 1.00 11.35 N ATOM 0 H LYS A 54 -19.761 2.614 0.706 1.00 13.34 H new ATOM 0 HA LYS A 54 -19.023 3.511 -1.908 1.00 43.10 H new ATOM 0 HB2 LYS A 54 -20.026 5.047 0.541 1.00 63.34 H new ATOM 0 HB3 LYS A 54 -19.957 5.681 -1.091 1.00 63.34 H new ATOM 0 HG2 LYS A 54 -21.700 3.347 -0.178 1.00 10.22 H new ATOM 0 HG3 LYS A 54 -22.257 4.987 -0.443 1.00 10.22 H new ATOM 0 HD2 LYS A 54 -21.617 4.803 -2.869 1.00 65.32 H new ATOM 0 HD3 LYS A 54 -21.088 3.155 -2.598 1.00 65.32 H new ATOM 0 HE2 LYS A 54 -23.332 3.101 -3.556 1.00 71.14 H new ATOM 0 HE3 LYS A 54 -23.419 2.528 -1.902 1.00 71.14 H new ATOM 0 HZ1 LYS A 54 -25.203 4.091 -2.490 1.00 11.35 H new ATOM 0 HZ2 LYS A 54 -24.261 4.647 -1.191 1.00 11.35 H new ATOM 0 HZ3 LYS A 54 -24.051 5.313 -2.739 1.00 11.35 H new ATOM 921 N ARG A 55 -17.131 4.344 0.673 1.00 24.34 N ATOM 922 CA ARG A 55 -15.798 4.843 1.049 1.00 65.22 C ATOM 923 C ARG A 55 -15.024 3.742 1.781 1.00 31.12 C ATOM 924 O ARG A 55 -15.552 3.086 2.690 1.00 54.14 O ATOM 925 CB ARG A 55 -15.874 6.118 1.938 1.00 24.13 C ATOM 926 CG ARG A 55 -14.478 6.714 2.297 1.00 32.23 C ATOM 927 CD ARG A 55 -14.560 7.948 3.213 1.00 14.13 C ATOM 928 NE ARG A 55 -15.277 9.073 2.578 1.00 52.41 N ATOM 929 CZ ARG A 55 -16.117 9.910 3.210 1.00 62.32 C ATOM 930 NH1 ARG A 55 -16.389 9.754 4.506 1.00 72.25 N ATOM 931 NH2 ARG A 55 -16.656 10.924 2.540 1.00 30.34 N ATOM 0 H ARG A 55 -17.657 3.941 1.448 1.00 24.34 H new ATOM 0 HA ARG A 55 -15.279 5.119 0.131 1.00 65.22 H new ATOM 0 HB2 ARG A 55 -16.461 6.877 1.421 1.00 24.13 H new ATOM 0 HB3 ARG A 55 -16.405 5.877 2.859 1.00 24.13 H new ATOM 0 HG2 ARG A 55 -13.878 5.947 2.786 1.00 32.23 H new ATOM 0 HG3 ARG A 55 -13.960 6.986 1.378 1.00 32.23 H new ATOM 0 HD2 ARG A 55 -15.064 7.676 4.140 1.00 14.13 H new ATOM 0 HD3 ARG A 55 -13.552 8.267 3.480 1.00 14.13 H new ATOM 0 HE ARG A 55 -15.122 9.226 1.582 1.00 52.41 H new ATOM 0 HH11 ARG A 55 -15.958 8.992 5.030 1.00 72.25 H new ATOM 0 HH12 ARG A 55 -17.028 10.396 4.974 1.00 72.25 H new ATOM 0 HH21 ARG A 55 -16.431 11.061 1.555 1.00 30.34 H new ATOM 0 HH22 ARG A 55 -17.295 11.565 3.011 1.00 30.34 H new ATOM 945 N VAL A 56 -13.777 3.547 1.345 1.00 22.54 N ATOM 946 CA VAL A 56 -12.789 2.694 1.994 1.00 73.54 C ATOM 947 C VAL A 56 -11.572 3.562 2.375 1.00 72.13 C ATOM 948 O VAL A 56 -11.171 4.440 1.598 1.00 1.43 O ATOM 949 CB VAL A 56 -12.344 1.505 1.058 1.00 35.42 C ATOM 950 CG1 VAL A 56 -13.520 0.545 0.794 1.00 50.53 C ATOM 951 CG2 VAL A 56 -11.738 2.010 -0.277 1.00 34.41 C ATOM 0 H VAL A 56 -13.419 3.996 0.502 1.00 22.54 H new ATOM 0 HA VAL A 56 -13.232 2.250 2.886 1.00 73.54 H new ATOM 0 HB VAL A 56 -11.561 0.959 1.583 1.00 35.42 H new ATOM 0 HG11 VAL A 56 -13.189 -0.267 0.146 1.00 50.53 H new ATOM 0 HG12 VAL A 56 -13.873 0.134 1.740 1.00 50.53 H new ATOM 0 HG13 VAL A 56 -14.331 1.088 0.309 1.00 50.53 H new ATOM 0 HG21 VAL A 56 -11.446 1.157 -0.890 1.00 34.41 H new ATOM 0 HG22 VAL A 56 -12.479 2.604 -0.812 1.00 34.41 H new ATOM 0 HG23 VAL A 56 -10.862 2.625 -0.069 1.00 34.41 H new ATOM 961 N ARG A 57 -11.023 3.356 3.580 1.00 5.32 N ATOM 962 CA ARG A 57 -9.772 4.012 4.008 1.00 4.13 C ATOM 963 C ARG A 57 -8.663 2.959 4.037 1.00 63.40 C ATOM 964 O ARG A 57 -8.659 2.104 4.923 1.00 40.44 O ATOM 965 CB ARG A 57 -9.909 4.660 5.412 1.00 1.34 C ATOM 966 CG ARG A 57 -8.681 5.519 5.825 1.00 71.02 C ATOM 967 CD ARG A 57 -8.572 5.736 7.339 1.00 75.35 C ATOM 968 NE ARG A 57 -9.774 6.353 7.925 1.00 35.14 N ATOM 969 CZ ARG A 57 -10.001 6.489 9.247 1.00 21.30 C ATOM 970 NH1 ARG A 57 -9.109 6.064 10.147 1.00 31.34 N ATOM 971 NH2 ARG A 57 -11.125 7.060 9.661 1.00 2.40 N ATOM 0 H ARG A 57 -11.426 2.736 4.283 1.00 5.32 H new ATOM 0 HA ARG A 57 -9.537 4.809 3.302 1.00 4.13 H new ATOM 0 HB2 ARG A 57 -10.801 5.286 5.428 1.00 1.34 H new ATOM 0 HB3 ARG A 57 -10.057 3.874 6.153 1.00 1.34 H new ATOM 0 HG2 ARG A 57 -7.772 5.035 5.468 1.00 71.02 H new ATOM 0 HG3 ARG A 57 -8.742 6.488 5.330 1.00 71.02 H new ATOM 0 HD2 ARG A 57 -8.390 4.777 7.825 1.00 75.35 H new ATOM 0 HD3 ARG A 57 -7.709 6.368 7.548 1.00 75.35 H new ATOM 0 HE ARG A 57 -10.486 6.703 7.284 1.00 35.14 H new ATOM 0 HH11 ARG A 57 -8.240 5.629 9.838 1.00 31.34 H new ATOM 0 HH12 ARG A 57 -9.297 6.175 11.143 1.00 31.34 H new ATOM 0 HH21 ARG A 57 -11.809 7.392 8.981 1.00 2.40 H new ATOM 0 HH22 ARG A 57 -11.305 7.167 10.659 1.00 2.40 H new ATOM 985 N ILE A 58 -7.758 3.017 3.063 1.00 1.24 N ATOM 986 CA ILE A 58 -6.604 2.115 2.956 1.00 43.01 C ATOM 987 C ILE A 58 -5.383 2.822 3.571 1.00 2.21 C ATOM 988 O ILE A 58 -4.833 3.753 2.981 1.00 61.40 O ATOM 989 CB ILE A 58 -6.307 1.751 1.452 1.00 41.05 C ATOM 990 CG1 ILE A 58 -7.613 1.308 0.723 1.00 71.03 C ATOM 991 CG2 ILE A 58 -5.212 0.657 1.348 1.00 23.01 C ATOM 992 CD1 ILE A 58 -7.469 1.143 -0.777 1.00 1.22 C ATOM 0 H ILE A 58 -7.803 3.703 2.310 1.00 1.24 H new ATOM 0 HA ILE A 58 -6.820 1.188 3.487 1.00 43.01 H new ATOM 0 HB ILE A 58 -5.930 2.645 0.956 1.00 41.05 H new ATOM 0 HG12 ILE A 58 -7.950 0.363 1.149 1.00 71.03 H new ATOM 0 HG13 ILE A 58 -8.393 2.043 0.922 1.00 71.03 H new ATOM 0 HG21 ILE A 58 -5.027 0.426 0.299 1.00 23.01 H new ATOM 0 HG22 ILE A 58 -4.292 1.018 1.807 1.00 23.01 H new ATOM 0 HG23 ILE A 58 -5.546 -0.243 1.865 1.00 23.01 H new ATOM 0 HD11 ILE A 58 -8.424 0.834 -1.202 1.00 1.22 H new ATOM 0 HD12 ILE A 58 -7.165 2.091 -1.220 1.00 1.22 H new ATOM 0 HD13 ILE A 58 -6.715 0.385 -0.989 1.00 1.22 H new ATOM 1004 N SER A 59 -4.988 2.397 4.764 1.00 10.20 N ATOM 1005 CA SER A 59 -3.855 2.967 5.487 1.00 52.12 C ATOM 1006 C SER A 59 -2.685 1.973 5.389 1.00 72.33 C ATOM 1007 O SER A 59 -2.687 0.934 6.048 1.00 55.43 O ATOM 1008 CB SER A 59 -4.281 3.230 6.955 1.00 52.10 C ATOM 1009 OG SER A 59 -3.270 3.898 7.691 1.00 43.13 O ATOM 0 H SER A 59 -5.450 1.638 5.264 1.00 10.20 H new ATOM 0 HA SER A 59 -3.536 3.919 5.062 1.00 52.12 H new ATOM 0 HB2 SER A 59 -5.192 3.828 6.966 1.00 52.10 H new ATOM 0 HB3 SER A 59 -4.516 2.282 7.440 1.00 52.10 H new ATOM 0 HG SER A 59 -3.578 4.046 8.609 1.00 43.13 H new ATOM 1015 N ILE A 60 -1.715 2.287 4.516 1.00 44.24 N ATOM 1016 CA ILE A 60 -0.556 1.423 4.240 1.00 10.25 C ATOM 1017 C ILE A 60 0.674 1.946 4.993 1.00 64.25 C ATOM 1018 O ILE A 60 1.070 3.097 4.812 1.00 71.01 O ATOM 1019 CB ILE A 60 -0.269 1.355 2.693 1.00 14.10 C ATOM 1020 CG1 ILE A 60 -1.464 0.672 1.958 1.00 70.11 C ATOM 1021 CG2 ILE A 60 1.075 0.648 2.378 1.00 75.55 C ATOM 1022 CD1 ILE A 60 -1.309 0.561 0.455 1.00 14.53 C ATOM 0 H ILE A 60 -1.713 3.154 3.978 1.00 44.24 H new ATOM 0 HA ILE A 60 -0.780 0.414 4.587 1.00 10.25 H new ATOM 0 HB ILE A 60 -0.171 2.376 2.323 1.00 14.10 H new ATOM 0 HG12 ILE A 60 -1.601 -0.328 2.369 1.00 70.11 H new ATOM 0 HG13 ILE A 60 -2.373 1.233 2.174 1.00 70.11 H new ATOM 0 HG21 ILE A 60 1.230 0.625 1.299 1.00 75.55 H new ATOM 0 HG22 ILE A 60 1.892 1.193 2.850 1.00 75.55 H new ATOM 0 HG23 ILE A 60 1.049 -0.372 2.763 1.00 75.55 H new ATOM 0 HD11 ILE A 60 -2.188 0.073 0.034 1.00 14.53 H new ATOM 0 HD12 ILE A 60 -1.206 1.557 0.025 1.00 14.53 H new ATOM 0 HD13 ILE A 60 -0.421 -0.028 0.223 1.00 14.53 H new ATOM 1034 N ARG A 61 1.261 1.104 5.853 1.00 41.25 N ATOM 1035 CA ARG A 61 2.496 1.435 6.574 1.00 45.33 C ATOM 1036 C ARG A 61 3.678 0.732 5.904 1.00 34.22 C ATOM 1037 O ARG A 61 3.579 -0.457 5.564 1.00 5.32 O ATOM 1038 CB ARG A 61 2.393 1.012 8.058 1.00 34.34 C ATOM 1039 CG ARG A 61 1.150 1.572 8.786 1.00 55.25 C ATOM 1040 CD ARG A 61 1.215 1.369 10.307 1.00 33.03 C ATOM 1041 NE ARG A 61 2.401 2.029 10.885 1.00 22.22 N ATOM 1042 CZ ARG A 61 2.958 1.734 12.067 1.00 14.43 C ATOM 1043 NH1 ARG A 61 2.456 0.786 12.847 1.00 45.11 N ATOM 1044 NH2 ARG A 61 4.057 2.373 12.446 1.00 13.41 N ATOM 0 H ARG A 61 0.894 0.177 6.068 1.00 41.25 H new ATOM 0 HA ARG A 61 2.648 2.514 6.540 1.00 45.33 H new ATOM 0 HB2 ARG A 61 2.375 -0.076 8.115 1.00 34.34 H new ATOM 0 HB3 ARG A 61 3.289 1.344 8.583 1.00 34.34 H new ATOM 0 HG2 ARG A 61 1.055 2.636 8.569 1.00 55.25 H new ATOM 0 HG3 ARG A 61 0.256 1.086 8.396 1.00 55.25 H new ATOM 0 HD2 ARG A 61 0.312 1.769 10.768 1.00 33.03 H new ATOM 0 HD3 ARG A 61 1.243 0.303 10.533 1.00 33.03 H new ATOM 0 HE ARG A 61 2.834 2.773 10.338 1.00 22.22 H new ATOM 0 HH11 ARG A 61 1.630 0.266 12.550 1.00 45.11 H new ATOM 0 HH12 ARG A 61 2.896 0.577 13.743 1.00 45.11 H new ATOM 0 HH21 ARG A 61 4.470 3.081 11.839 1.00 13.41 H new ATOM 0 HH22 ARG A 61 4.489 2.156 13.344 1.00 13.41 H new ATOM 1058 N VAL A 62 4.781 1.472 5.704 1.00 64.30 N ATOM 1059 CA VAL A 62 6.046 0.917 5.210 1.00 72.30 C ATOM 1060 C VAL A 62 6.928 0.623 6.453 1.00 0.14 C ATOM 1061 O VAL A 62 7.240 1.527 7.245 1.00 41.02 O ATOM 1062 CB VAL A 62 6.753 1.903 4.174 1.00 31.45 C ATOM 1063 CG1 VAL A 62 7.291 3.187 4.836 1.00 74.32 C ATOM 1064 CG2 VAL A 62 7.875 1.198 3.391 1.00 53.41 C ATOM 0 H VAL A 62 4.817 2.476 5.882 1.00 64.30 H new ATOM 0 HA VAL A 62 5.876 -0.004 4.653 1.00 72.30 H new ATOM 0 HB VAL A 62 5.973 2.202 3.474 1.00 31.45 H new ATOM 0 HG11 VAL A 62 7.760 3.817 4.080 1.00 74.32 H new ATOM 0 HG12 VAL A 62 6.467 3.730 5.300 1.00 74.32 H new ATOM 0 HG13 VAL A 62 8.026 2.924 5.597 1.00 74.32 H new ATOM 0 HG21 VAL A 62 8.332 1.903 2.696 1.00 53.41 H new ATOM 0 HG22 VAL A 62 8.631 0.833 4.087 1.00 53.41 H new ATOM 0 HG23 VAL A 62 7.458 0.358 2.835 1.00 53.41 H new ATOM 1074 N LYS A 63 7.255 -0.651 6.688 1.00 43.04 N ATOM 1075 CA LYS A 63 8.027 -1.063 7.868 1.00 40.42 C ATOM 1076 C LYS A 63 9.515 -1.037 7.520 1.00 53.14 C ATOM 1077 O LYS A 63 9.994 -1.838 6.705 1.00 75.22 O ATOM 1078 CB LYS A 63 7.582 -2.461 8.329 1.00 22.21 C ATOM 1079 CG LYS A 63 8.375 -3.082 9.504 1.00 62.41 C ATOM 1080 CD LYS A 63 8.164 -2.344 10.844 1.00 32.24 C ATOM 1081 CE LYS A 63 8.819 -3.083 12.024 1.00 74.11 C ATOM 1082 NZ LYS A 63 8.241 -4.443 12.232 1.00 11.45 N ATOM 0 H LYS A 63 6.995 -1.422 6.072 1.00 43.04 H new ATOM 0 HA LYS A 63 7.848 -0.373 8.693 1.00 40.42 H new ATOM 0 HB2 LYS A 63 6.532 -2.408 8.616 1.00 22.21 H new ATOM 0 HB3 LYS A 63 7.646 -3.138 7.477 1.00 22.21 H new ATOM 0 HG2 LYS A 63 8.079 -4.125 9.621 1.00 62.41 H new ATOM 0 HG3 LYS A 63 9.437 -3.078 9.259 1.00 62.41 H new ATOM 0 HD2 LYS A 63 8.578 -1.338 10.772 1.00 32.24 H new ATOM 0 HD3 LYS A 63 7.096 -2.236 11.033 1.00 32.24 H new ATOM 0 HE2 LYS A 63 9.891 -3.170 11.846 1.00 74.11 H new ATOM 0 HE3 LYS A 63 8.694 -2.495 12.933 1.00 74.11 H new ATOM 0 HZ1 LYS A 63 8.574 -4.827 13.139 1.00 11.45 H new ATOM 0 HZ2 LYS A 63 7.203 -4.381 12.243 1.00 11.45 H new ATOM 0 HZ3 LYS A 63 8.542 -5.070 11.459 1.00 11.45 H new ATOM 1096 N HIS A 64 10.218 -0.077 8.117 1.00 11.12 N ATOM 1097 CA HIS A 64 11.655 0.116 7.951 1.00 2.24 C ATOM 1098 C HIS A 64 12.352 -0.247 9.269 1.00 63.10 C ATOM 1099 O HIS A 64 12.153 0.416 10.295 1.00 61.42 O ATOM 1100 CB HIS A 64 11.941 1.584 7.522 1.00 15.44 C ATOM 1101 CG HIS A 64 11.297 2.639 8.394 1.00 12.43 C ATOM 1102 ND1 HIS A 64 11.891 3.143 9.531 1.00 5.01 N ATOM 1103 CD2 HIS A 64 10.104 3.279 8.290 1.00 5.41 C ATOM 1104 CE1 HIS A 64 11.095 4.033 10.085 1.00 4.02 C ATOM 1105 NE2 HIS A 64 10.010 4.136 9.353 1.00 1.33 N ATOM 0 H HIS A 64 9.792 0.605 8.745 1.00 11.12 H new ATOM 0 HA HIS A 64 12.046 -0.531 7.166 1.00 2.24 H new ATOM 0 HB2 HIS A 64 13.019 1.743 7.521 1.00 15.44 H new ATOM 0 HB3 HIS A 64 11.597 1.721 6.497 1.00 15.44 H new ATOM 0 HD1 HIS A 64 12.806 2.869 9.888 1.00 5.01 H new ATOM 0 HD2 HIS A 64 9.367 3.138 7.513 1.00 5.41 H new ATOM 0 HE1 HIS A 64 11.300 4.586 10.990 1.00 4.02 H new ATOM 1114 N SER A 65 13.113 -1.349 9.251 1.00 25.20 N ATOM 1115 CA SER A 65 13.893 -1.804 10.415 1.00 61.11 C ATOM 1116 C SER A 65 15.086 -0.858 10.667 1.00 20.45 C ATOM 1117 O SER A 65 15.520 -0.675 11.805 1.00 70.14 O ATOM 1118 CB SER A 65 14.379 -3.257 10.200 1.00 22.12 C ATOM 1119 OG SER A 65 15.027 -3.761 11.356 1.00 0.04 O ATOM 0 H SER A 65 13.207 -1.951 8.433 1.00 25.20 H new ATOM 0 HA SER A 65 13.251 -1.784 11.296 1.00 61.11 H new ATOM 0 HB2 SER A 65 13.530 -3.893 9.950 1.00 22.12 H new ATOM 0 HB3 SER A 65 15.064 -3.292 9.353 1.00 22.12 H new ATOM 0 HG SER A 65 15.322 -4.681 11.191 1.00 0.04 H new ATOM 1125 N ASP A 66 15.596 -0.271 9.580 1.00 2.21 N ATOM 1126 CA ASP A 66 16.700 0.712 9.612 1.00 14.53 C ATOM 1127 C ASP A 66 16.145 2.133 9.863 1.00 62.12 C ATOM 1128 O ASP A 66 14.979 2.405 9.558 1.00 1.41 O ATOM 1129 CB ASP A 66 17.485 0.636 8.268 1.00 50.32 C ATOM 1130 CG ASP A 66 18.546 1.742 8.104 1.00 52.04 C ATOM 1131 OD1 ASP A 66 19.478 1.825 8.939 1.00 53.34 O ATOM 1132 OD2 ASP A 66 18.439 2.550 7.166 1.00 3.55 O ATOM 0 H ASP A 66 15.254 -0.463 8.638 1.00 2.21 H new ATOM 0 HA ASP A 66 17.382 0.479 10.430 1.00 14.53 H new ATOM 0 HB2 ASP A 66 17.973 -0.336 8.198 1.00 50.32 H new ATOM 0 HB3 ASP A 66 16.778 0.698 7.441 1.00 50.32 H new ATOM 1137 N ALA A 67 16.999 3.022 10.416 1.00 2.11 N ATOM 1138 CA ALA A 67 16.631 4.405 10.789 1.00 13.35 C ATOM 1139 C ALA A 67 17.426 5.464 9.985 1.00 11.04 C ATOM 1140 O ALA A 67 17.102 6.657 10.053 1.00 23.22 O ATOM 1141 CB ALA A 67 16.839 4.596 12.301 1.00 0.23 C ATOM 0 H ALA A 67 17.973 2.797 10.618 1.00 2.11 H new ATOM 0 HA ALA A 67 15.580 4.554 10.541 1.00 13.35 H new ATOM 0 HB1 ALA A 67 16.569 5.615 12.580 1.00 0.23 H new ATOM 0 HB2 ALA A 67 16.211 3.892 12.847 1.00 0.23 H new ATOM 0 HB3 ALA A 67 17.885 4.417 12.550 1.00 0.23 H new ATOM 1147 N ALA A 68 18.442 5.024 9.213 1.00 11.41 N ATOM 1148 CA ALA A 68 19.337 5.930 8.466 1.00 3.22 C ATOM 1149 C ALA A 68 18.753 6.296 7.084 1.00 13.32 C ATOM 1150 O ALA A 68 18.352 7.436 6.850 1.00 35.43 O ATOM 1151 CB ALA A 68 20.724 5.277 8.312 1.00 64.15 C ATOM 0 H ALA A 68 18.663 4.036 9.091 1.00 11.41 H new ATOM 0 HA ALA A 68 19.434 6.857 9.032 1.00 3.22 H new ATOM 0 HB1 ALA A 68 21.383 5.948 7.760 1.00 64.15 H new ATOM 0 HB2 ALA A 68 21.146 5.083 9.298 1.00 64.15 H new ATOM 0 HB3 ALA A 68 20.625 4.337 7.769 1.00 64.15 H new ATOM 1157 N GLU A 69 18.700 5.298 6.192 1.00 21.52 N ATOM 1158 CA GLU A 69 18.296 5.461 4.782 1.00 74.21 C ATOM 1159 C GLU A 69 16.783 5.618 4.616 1.00 72.13 C ATOM 1160 O GLU A 69 16.351 6.087 3.576 1.00 73.24 O ATOM 1161 CB GLU A 69 18.795 4.238 3.955 1.00 41.23 C ATOM 1162 CG GLU A 69 20.321 4.198 3.728 1.00 54.22 C ATOM 1163 CD GLU A 69 20.811 5.193 2.658 1.00 54.55 C ATOM 1164 OE1 GLU A 69 21.067 6.372 2.979 1.00 14.33 O ATOM 1165 OE2 GLU A 69 20.952 4.796 1.484 1.00 75.21 O ATOM 0 H GLU A 69 18.940 4.336 6.431 1.00 21.52 H new ATOM 0 HA GLU A 69 18.754 6.380 4.415 1.00 74.21 H new ATOM 0 HB2 GLU A 69 18.492 3.323 4.464 1.00 41.23 H new ATOM 0 HB3 GLU A 69 18.296 4.243 2.986 1.00 41.23 H new ATOM 0 HG2 GLU A 69 20.826 4.412 4.670 1.00 54.22 H new ATOM 0 HG3 GLU A 69 20.610 3.189 3.434 1.00 54.22 H new ATOM 1172 N GLU A 70 15.998 5.237 5.641 1.00 5.04 N ATOM 1173 CA GLU A 70 14.522 5.150 5.537 1.00 2.21 C ATOM 1174 C GLU A 70 13.837 6.477 5.136 1.00 64.34 C ATOM 1175 O GLU A 70 12.742 6.462 4.567 1.00 72.53 O ATOM 1176 CB GLU A 70 13.926 4.558 6.841 1.00 2.23 C ATOM 1177 CG GLU A 70 14.317 5.253 8.168 1.00 43.42 C ATOM 1178 CD GLU A 70 13.664 6.621 8.420 1.00 52.12 C ATOM 1179 OE1 GLU A 70 12.433 6.674 8.655 1.00 14.34 O ATOM 1180 OE2 GLU A 70 14.373 7.644 8.391 1.00 23.20 O ATOM 0 H GLU A 70 16.361 4.982 6.559 1.00 5.04 H new ATOM 0 HA GLU A 70 14.308 4.471 4.711 1.00 2.21 H new ATOM 0 HB2 GLU A 70 12.839 4.576 6.756 1.00 2.23 H new ATOM 0 HB3 GLU A 70 14.224 3.511 6.906 1.00 2.23 H new ATOM 0 HG2 GLU A 70 14.059 4.590 8.994 1.00 43.42 H new ATOM 0 HG3 GLU A 70 15.400 5.379 8.186 1.00 43.42 H new ATOM 1187 N LYS A 71 14.492 7.611 5.448 1.00 64.24 N ATOM 1188 CA LYS A 71 14.040 8.951 5.030 1.00 10.13 C ATOM 1189 C LYS A 71 14.133 9.112 3.492 1.00 15.21 C ATOM 1190 O LYS A 71 13.250 9.696 2.860 1.00 61.35 O ATOM 1191 CB LYS A 71 14.860 10.027 5.794 1.00 13.21 C ATOM 1192 CG LYS A 71 16.403 9.910 5.664 1.00 32.01 C ATOM 1193 CD LYS A 71 17.136 10.861 6.643 1.00 51.03 C ATOM 1194 CE LYS A 71 18.672 10.753 6.569 1.00 74.51 C ATOM 1195 NZ LYS A 71 19.214 11.212 5.265 1.00 33.10 N ATOM 0 H LYS A 71 15.351 7.624 5.998 1.00 64.24 H new ATOM 0 HA LYS A 71 12.989 9.083 5.286 1.00 10.13 H new ATOM 0 HB2 LYS A 71 14.557 11.011 5.437 1.00 13.21 H new ATOM 0 HB3 LYS A 71 14.597 9.976 6.851 1.00 13.21 H new ATOM 0 HG2 LYS A 71 16.707 8.882 5.860 1.00 32.01 H new ATOM 0 HG3 LYS A 71 16.700 10.141 4.641 1.00 32.01 H new ATOM 0 HD2 LYS A 71 16.841 11.888 6.429 1.00 51.03 H new ATOM 0 HD3 LYS A 71 16.813 10.642 7.661 1.00 51.03 H new ATOM 0 HE2 LYS A 71 19.113 11.345 7.371 1.00 74.51 H new ATOM 0 HE3 LYS A 71 18.968 9.718 6.737 1.00 74.51 H new ATOM 0 HZ1 LYS A 71 20.250 11.119 5.267 1.00 33.10 H new ATOM 0 HZ2 LYS A 71 18.816 10.631 4.500 1.00 33.10 H new ATOM 0 HZ3 LYS A 71 18.956 12.208 5.113 1.00 33.10 H new ATOM 1209 N LYS A 72 15.198 8.550 2.909 1.00 42.34 N ATOM 1210 CA LYS A 72 15.385 8.468 1.453 1.00 44.44 C ATOM 1211 C LYS A 72 14.387 7.465 0.870 1.00 2.11 C ATOM 1212 O LYS A 72 13.709 7.761 -0.116 1.00 31.24 O ATOM 1213 CB LYS A 72 16.839 8.021 1.145 1.00 51.32 C ATOM 1214 CG LYS A 72 17.207 7.937 -0.358 1.00 23.31 C ATOM 1215 CD LYS A 72 18.616 7.340 -0.578 1.00 5.13 C ATOM 1216 CE LYS A 72 19.732 8.138 0.122 1.00 0.52 C ATOM 1217 NZ LYS A 72 21.050 7.452 0.024 1.00 33.11 N ATOM 0 H LYS A 72 15.964 8.134 3.439 1.00 42.34 H new ATOM 0 HA LYS A 72 15.212 9.445 1.001 1.00 44.44 H new ATOM 0 HB2 LYS A 72 17.525 8.715 1.631 1.00 51.32 H new ATOM 0 HB3 LYS A 72 17.003 7.043 1.597 1.00 51.32 H new ATOM 0 HG2 LYS A 72 16.469 7.326 -0.878 1.00 23.31 H new ATOM 0 HG3 LYS A 72 17.163 8.933 -0.798 1.00 23.31 H new ATOM 0 HD2 LYS A 72 18.629 6.313 -0.212 1.00 5.13 H new ATOM 0 HD3 LYS A 72 18.823 7.300 -1.647 1.00 5.13 H new ATOM 0 HE2 LYS A 72 19.805 9.129 -0.325 1.00 0.52 H new ATOM 0 HE3 LYS A 72 19.474 8.280 1.171 1.00 0.52 H new ATOM 0 HZ1 LYS A 72 21.774 8.021 0.507 1.00 33.11 H new ATOM 0 HZ2 LYS A 72 20.988 6.516 0.473 1.00 33.11 H new ATOM 0 HZ3 LYS A 72 21.309 7.339 -0.977 1.00 33.11 H new ATOM 1231 N GLU A 73 14.271 6.305 1.557 1.00 61.02 N ATOM 1232 CA GLU A 73 13.432 5.182 1.116 1.00 33.20 C ATOM 1233 C GLU A 73 11.939 5.516 1.196 1.00 61.12 C ATOM 1234 O GLU A 73 11.143 4.826 0.590 1.00 43.12 O ATOM 1235 CB GLU A 73 13.729 3.897 1.945 1.00 45.03 C ATOM 1236 CG GLU A 73 15.214 3.479 2.007 1.00 54.12 C ATOM 1237 CD GLU A 73 15.878 3.339 0.628 1.00 70.32 C ATOM 1238 OE1 GLU A 73 15.572 2.357 -0.087 1.00 22.35 O ATOM 1239 OE2 GLU A 73 16.712 4.201 0.253 1.00 71.12 O ATOM 0 H GLU A 73 14.761 6.128 2.434 1.00 61.02 H new ATOM 0 HA GLU A 73 13.683 4.996 0.072 1.00 33.20 H new ATOM 0 HB2 GLU A 73 13.369 4.050 2.962 1.00 45.03 H new ATOM 0 HB3 GLU A 73 13.154 3.072 1.524 1.00 45.03 H new ATOM 0 HG2 GLU A 73 15.765 4.216 2.592 1.00 54.12 H new ATOM 0 HG3 GLU A 73 15.292 2.529 2.536 1.00 54.12 H new ATOM 1246 N ALA A 74 11.575 6.553 1.958 1.00 34.32 N ATOM 1247 CA ALA A 74 10.195 7.047 2.020 1.00 61.25 C ATOM 1248 C ALA A 74 9.782 7.660 0.676 1.00 64.32 C ATOM 1249 O ALA A 74 8.782 7.259 0.087 1.00 64.21 O ATOM 1250 CB ALA A 74 10.074 8.079 3.138 1.00 4.11 C ATOM 0 H ALA A 74 12.226 7.072 2.547 1.00 34.32 H new ATOM 0 HA ALA A 74 9.526 6.212 2.230 1.00 61.25 H new ATOM 0 HB1 ALA A 74 9.049 8.446 3.185 1.00 4.11 H new ATOM 0 HB2 ALA A 74 10.338 7.617 4.090 1.00 4.11 H new ATOM 0 HB3 ALA A 74 10.749 8.911 2.939 1.00 4.11 H new ATOM 1256 N LYS A 75 10.593 8.627 0.217 1.00 74.32 N ATOM 1257 CA LYS A 75 10.413 9.314 -1.082 1.00 70.25 C ATOM 1258 C LYS A 75 10.567 8.326 -2.263 1.00 21.15 C ATOM 1259 O LYS A 75 9.806 8.358 -3.234 1.00 4.02 O ATOM 1260 CB LYS A 75 11.473 10.438 -1.192 1.00 3.04 C ATOM 1261 CG LYS A 75 11.394 11.503 -0.066 1.00 33.21 C ATOM 1262 CD LYS A 75 12.657 12.403 -0.002 1.00 22.35 C ATOM 1263 CE LYS A 75 12.942 13.180 -1.302 1.00 21.42 C ATOM 1264 NZ LYS A 75 14.247 13.908 -1.239 1.00 54.03 N ATOM 0 H LYS A 75 11.403 8.961 0.740 1.00 74.32 H new ATOM 0 HA LYS A 75 9.408 9.732 -1.130 1.00 70.25 H new ATOM 0 HB2 LYS A 75 12.466 9.988 -1.181 1.00 3.04 H new ATOM 0 HB3 LYS A 75 11.359 10.935 -2.155 1.00 3.04 H new ATOM 0 HG2 LYS A 75 10.515 12.128 -0.224 1.00 33.21 H new ATOM 0 HG3 LYS A 75 11.261 11.002 0.893 1.00 33.21 H new ATOM 0 HD2 LYS A 75 12.542 13.114 0.816 1.00 22.35 H new ATOM 0 HD3 LYS A 75 13.521 11.782 0.234 1.00 22.35 H new ATOM 0 HE2 LYS A 75 12.952 12.488 -2.144 1.00 21.42 H new ATOM 0 HE3 LYS A 75 12.137 13.892 -1.484 1.00 21.42 H new ATOM 0 HZ1 LYS A 75 14.403 14.419 -2.132 1.00 54.03 H new ATOM 0 HZ2 LYS A 75 14.228 14.586 -0.451 1.00 54.03 H new ATOM 0 HZ3 LYS A 75 15.018 13.226 -1.091 1.00 54.03 H new ATOM 1278 N LYS A 76 11.559 7.446 -2.123 1.00 4.14 N ATOM 1279 CA LYS A 76 11.941 6.429 -3.119 1.00 73.22 C ATOM 1280 C LYS A 76 10.824 5.378 -3.302 1.00 53.51 C ATOM 1281 O LYS A 76 10.489 5.001 -4.432 1.00 62.45 O ATOM 1282 CB LYS A 76 13.276 5.809 -2.629 1.00 53.32 C ATOM 1283 CG LYS A 76 13.845 4.624 -3.432 1.00 2.31 C ATOM 1284 CD LYS A 76 15.290 4.289 -2.970 1.00 61.03 C ATOM 1285 CE LYS A 76 15.813 2.965 -3.530 1.00 54.22 C ATOM 1286 NZ LYS A 76 15.096 1.814 -2.934 1.00 61.12 N ATOM 0 H LYS A 76 12.142 7.416 -1.287 1.00 4.14 H new ATOM 0 HA LYS A 76 12.079 6.870 -4.106 1.00 73.22 H new ATOM 0 HB2 LYS A 76 14.028 6.598 -2.614 1.00 53.32 H new ATOM 0 HB3 LYS A 76 13.137 5.482 -1.599 1.00 53.32 H new ATOM 0 HG2 LYS A 76 13.205 3.751 -3.303 1.00 2.31 H new ATOM 0 HG3 LYS A 76 13.845 4.865 -4.495 1.00 2.31 H new ATOM 0 HD2 LYS A 76 15.958 5.094 -3.276 1.00 61.03 H new ATOM 0 HD3 LYS A 76 15.316 4.250 -1.881 1.00 61.03 H new ATOM 0 HE2 LYS A 76 15.692 2.952 -4.613 1.00 54.22 H new ATOM 0 HE3 LYS A 76 16.880 2.877 -3.327 1.00 54.22 H new ATOM 0 HZ1 LYS A 76 15.021 1.051 -3.636 1.00 61.12 H new ATOM 0 HZ2 LYS A 76 15.620 1.470 -2.104 1.00 61.12 H new ATOM 0 HZ3 LYS A 76 14.143 2.112 -2.643 1.00 61.12 H new ATOM 1300 N PHE A 77 10.231 4.956 -2.175 1.00 30.54 N ATOM 1301 CA PHE A 77 9.094 4.010 -2.156 1.00 73.04 C ATOM 1302 C PHE A 77 7.776 4.732 -2.490 1.00 42.32 C ATOM 1303 O PHE A 77 6.804 4.095 -2.894 1.00 24.44 O ATOM 1304 CB PHE A 77 8.993 3.307 -0.773 1.00 43.32 C ATOM 1305 CG PHE A 77 8.065 2.098 -0.740 1.00 74.51 C ATOM 1306 CD1 PHE A 77 8.431 0.917 -1.385 1.00 32.03 C ATOM 1307 CD2 PHE A 77 6.836 2.131 -0.072 1.00 22.31 C ATOM 1308 CE1 PHE A 77 7.598 -0.183 -1.367 1.00 44.33 C ATOM 1309 CE2 PHE A 77 6.007 1.025 -0.055 1.00 23.12 C ATOM 1310 CZ PHE A 77 6.389 -0.132 -0.699 1.00 3.01 C ATOM 0 H PHE A 77 10.524 5.259 -1.246 1.00 30.54 H new ATOM 0 HA PHE A 77 9.270 3.251 -2.919 1.00 73.04 H new ATOM 0 HB2 PHE A 77 9.990 2.991 -0.467 1.00 43.32 H new ATOM 0 HB3 PHE A 77 8.649 4.033 -0.036 1.00 43.32 H new ATOM 0 HD1 PHE A 77 9.376 0.863 -1.904 1.00 32.03 H new ATOM 0 HD2 PHE A 77 6.531 3.033 0.437 1.00 22.31 H new ATOM 0 HE1 PHE A 77 7.892 -1.088 -1.877 1.00 44.33 H new ATOM 0 HE2 PHE A 77 5.060 1.068 0.463 1.00 23.12 H new ATOM 0 HZ PHE A 77 5.744 -0.998 -0.682 1.00 3.01 H new ATOM 1320 N ALA A 78 7.756 6.060 -2.292 1.00 60.03 N ATOM 1321 CA ALA A 78 6.598 6.897 -2.640 1.00 1.44 C ATOM 1322 C ALA A 78 6.346 6.859 -4.149 1.00 33.20 C ATOM 1323 O ALA A 78 5.207 6.713 -4.574 1.00 44.34 O ATOM 1324 CB ALA A 78 6.793 8.329 -2.157 1.00 3.10 C ATOM 0 H ALA A 78 8.536 6.580 -1.889 1.00 60.03 H new ATOM 0 HA ALA A 78 5.721 6.493 -2.135 1.00 1.44 H new ATOM 0 HB1 ALA A 78 5.922 8.926 -2.428 1.00 3.10 H new ATOM 0 HB2 ALA A 78 6.914 8.334 -1.074 1.00 3.10 H new ATOM 0 HB3 ALA A 78 7.682 8.752 -2.624 1.00 3.10 H new ATOM 1330 N ALA A 79 7.435 6.942 -4.942 1.00 25.04 N ATOM 1331 CA ALA A 79 7.377 6.842 -6.414 1.00 32.24 C ATOM 1332 C ALA A 79 6.830 5.468 -6.861 1.00 64.14 C ATOM 1333 O ALA A 79 6.109 5.368 -7.861 1.00 1.42 O ATOM 1334 CB ALA A 79 8.767 7.094 -7.008 1.00 51.12 C ATOM 0 H ALA A 79 8.378 7.080 -4.579 1.00 25.04 H new ATOM 0 HA ALA A 79 6.691 7.603 -6.785 1.00 32.24 H new ATOM 0 HB1 ALA A 79 8.718 7.019 -8.094 1.00 51.12 H new ATOM 0 HB2 ALA A 79 9.107 8.091 -6.728 1.00 51.12 H new ATOM 0 HB3 ALA A 79 9.467 6.351 -6.624 1.00 51.12 H new ATOM 1340 N ILE A 80 7.184 4.424 -6.090 1.00 10.32 N ATOM 1341 CA ILE A 80 6.685 3.052 -6.275 1.00 20.21 C ATOM 1342 C ILE A 80 5.161 2.997 -6.022 1.00 74.42 C ATOM 1343 O ILE A 80 4.415 2.461 -6.847 1.00 20.05 O ATOM 1344 CB ILE A 80 7.461 2.064 -5.322 1.00 61.44 C ATOM 1345 CG1 ILE A 80 8.991 2.099 -5.629 1.00 15.30 C ATOM 1346 CG2 ILE A 80 6.924 0.619 -5.387 1.00 51.30 C ATOM 1347 CD1 ILE A 80 9.371 1.730 -7.057 1.00 41.12 C ATOM 0 H ILE A 80 7.835 4.513 -5.310 1.00 10.32 H new ATOM 0 HA ILE A 80 6.863 2.741 -7.304 1.00 20.21 H new ATOM 0 HB ILE A 80 7.292 2.412 -4.303 1.00 61.44 H new ATOM 0 HG12 ILE A 80 9.366 3.100 -5.417 1.00 15.30 H new ATOM 0 HG13 ILE A 80 9.499 1.417 -4.947 1.00 15.30 H new ATOM 0 HG21 ILE A 80 7.498 -0.013 -4.710 1.00 51.30 H new ATOM 0 HG22 ILE A 80 5.875 0.607 -5.093 1.00 51.30 H new ATOM 0 HG23 ILE A 80 7.020 0.241 -6.405 1.00 51.30 H new ATOM 0 HD11 ILE A 80 10.454 1.784 -7.171 1.00 41.12 H new ATOM 0 HD12 ILE A 80 9.033 0.716 -7.273 1.00 41.12 H new ATOM 0 HD13 ILE A 80 8.898 2.425 -7.751 1.00 41.12 H new ATOM 1359 N LEU A 81 4.718 3.630 -4.913 1.00 34.21 N ATOM 1360 CA LEU A 81 3.300 3.662 -4.499 1.00 51.15 C ATOM 1361 C LEU A 81 2.429 4.422 -5.521 1.00 71.15 C ATOM 1362 O LEU A 81 1.405 3.898 -5.946 1.00 53.15 O ATOM 1363 CB LEU A 81 3.153 4.304 -3.085 1.00 52.33 C ATOM 1364 CG LEU A 81 3.551 3.402 -1.876 1.00 32.15 C ATOM 1365 CD1 LEU A 81 3.522 4.198 -0.566 1.00 21.21 C ATOM 1366 CD2 LEU A 81 2.635 2.164 -1.772 1.00 72.14 C ATOM 0 H LEU A 81 5.337 4.134 -4.279 1.00 34.21 H new ATOM 0 HA LEU A 81 2.948 2.631 -4.457 1.00 51.15 H new ATOM 0 HB2 LEU A 81 3.762 5.208 -3.054 1.00 52.33 H new ATOM 0 HB3 LEU A 81 2.116 4.614 -2.955 1.00 52.33 H new ATOM 0 HG LEU A 81 4.570 3.055 -2.048 1.00 32.15 H new ATOM 0 HD11 LEU A 81 3.803 3.547 0.262 1.00 21.21 H new ATOM 0 HD12 LEU A 81 4.225 5.029 -0.629 1.00 21.21 H new ATOM 0 HD13 LEU A 81 2.517 4.585 -0.398 1.00 21.21 H new ATOM 0 HD21 LEU A 81 2.939 1.557 -0.919 1.00 72.14 H new ATOM 0 HD22 LEU A 81 1.602 2.486 -1.638 1.00 72.14 H new ATOM 0 HD23 LEU A 81 2.716 1.574 -2.685 1.00 72.14 H new ATOM 1378 N ASN A 82 2.882 5.627 -5.935 1.00 33.53 N ATOM 1379 CA ASN A 82 2.094 6.534 -6.810 1.00 11.44 C ATOM 1380 C ASN A 82 1.812 5.891 -8.177 1.00 2.05 C ATOM 1381 O ASN A 82 0.747 6.117 -8.752 1.00 54.32 O ATOM 1382 CB ASN A 82 2.786 7.923 -6.993 1.00 72.43 C ATOM 1383 CG ASN A 82 2.677 8.823 -5.754 1.00 24.45 C ATOM 1384 OD1 ASN A 82 1.640 9.424 -5.506 1.00 45.11 O ATOM 1385 ND2 ASN A 82 3.748 8.977 -5.006 1.00 20.25 N ATOM 0 H ASN A 82 3.796 5.999 -5.676 1.00 33.53 H new ATOM 0 HA ASN A 82 1.142 6.702 -6.306 1.00 11.44 H new ATOM 0 HB2 ASN A 82 3.839 7.768 -7.230 1.00 72.43 H new ATOM 0 HB3 ASN A 82 2.339 8.434 -7.846 1.00 72.43 H new ATOM 0 HD21 ASN A 82 3.723 9.606 -4.203 1.00 20.25 H new ATOM 0 HD22 ASN A 82 4.603 8.467 -5.229 1.00 20.25 H new ATOM 1392 N LYS A 83 2.765 5.085 -8.679 1.00 53.32 N ATOM 1393 CA LYS A 83 2.595 4.347 -9.947 1.00 40.45 C ATOM 1394 C LYS A 83 1.603 3.168 -9.797 1.00 3.05 C ATOM 1395 O LYS A 83 0.811 2.913 -10.699 1.00 22.34 O ATOM 1396 CB LYS A 83 3.965 3.846 -10.479 1.00 75.24 C ATOM 1397 CG LYS A 83 4.952 4.958 -10.939 1.00 23.13 C ATOM 1398 CD LYS A 83 4.413 5.861 -12.078 1.00 74.00 C ATOM 1399 CE LYS A 83 4.012 5.085 -13.353 1.00 41.53 C ATOM 1400 NZ LYS A 83 5.143 4.320 -13.952 1.00 32.34 N ATOM 0 H LYS A 83 3.665 4.927 -8.225 1.00 53.32 H new ATOM 0 HA LYS A 83 2.172 5.040 -10.674 1.00 40.45 H new ATOM 0 HB2 LYS A 83 4.446 3.258 -9.697 1.00 75.24 H new ATOM 0 HB3 LYS A 83 3.786 3.174 -11.318 1.00 75.24 H new ATOM 0 HG2 LYS A 83 5.200 5.584 -10.082 1.00 23.13 H new ATOM 0 HG3 LYS A 83 5.879 4.490 -11.271 1.00 23.13 H new ATOM 0 HD2 LYS A 83 3.547 6.413 -11.712 1.00 74.00 H new ATOM 0 HD3 LYS A 83 5.174 6.597 -12.336 1.00 74.00 H new ATOM 0 HE2 LYS A 83 3.202 4.396 -13.112 1.00 41.53 H new ATOM 0 HE3 LYS A 83 3.624 5.787 -14.091 1.00 41.53 H new ATOM 0 HZ1 LYS A 83 4.813 3.821 -14.803 1.00 32.34 H new ATOM 0 HZ2 LYS A 83 5.908 4.976 -14.210 1.00 32.34 H new ATOM 0 HZ3 LYS A 83 5.499 3.628 -13.261 1.00 32.34 H new ATOM 1414 N VAL A 84 1.638 2.488 -8.633 1.00 73.31 N ATOM 1415 CA VAL A 84 0.753 1.339 -8.331 1.00 73.25 C ATOM 1416 C VAL A 84 -0.712 1.809 -8.228 1.00 42.55 C ATOM 1417 O VAL A 84 -1.594 1.278 -8.913 1.00 24.31 O ATOM 1418 CB VAL A 84 1.214 0.636 -6.991 1.00 4.30 C ATOM 1419 CG1 VAL A 84 0.158 -0.349 -6.441 1.00 21.02 C ATOM 1420 CG2 VAL A 84 2.573 -0.073 -7.199 1.00 54.10 C ATOM 0 H VAL A 84 2.280 2.718 -7.874 1.00 73.31 H new ATOM 0 HA VAL A 84 0.823 0.613 -9.141 1.00 73.25 H new ATOM 0 HB VAL A 84 1.330 1.418 -6.240 1.00 4.30 H new ATOM 0 HG11 VAL A 84 0.527 -0.802 -5.521 1.00 21.02 H new ATOM 0 HG12 VAL A 84 -0.768 0.188 -6.235 1.00 21.02 H new ATOM 0 HG13 VAL A 84 -0.031 -1.129 -7.179 1.00 21.02 H new ATOM 0 HG21 VAL A 84 2.879 -0.553 -6.269 1.00 54.10 H new ATOM 0 HG22 VAL A 84 2.475 -0.826 -7.981 1.00 54.10 H new ATOM 0 HG23 VAL A 84 3.324 0.660 -7.494 1.00 54.10 H new ATOM 1430 N PHE A 85 -0.921 2.838 -7.384 1.00 2.21 N ATOM 1431 CA PHE A 85 -2.224 3.490 -7.183 1.00 63.41 C ATOM 1432 C PHE A 85 -2.799 4.012 -8.516 1.00 14.42 C ATOM 1433 O PHE A 85 -3.983 3.797 -8.810 1.00 60.13 O ATOM 1434 CB PHE A 85 -2.098 4.638 -6.132 1.00 10.22 C ATOM 1435 CG PHE A 85 -1.840 4.149 -4.699 1.00 1.25 C ATOM 1436 CD1 PHE A 85 -2.669 3.189 -4.108 1.00 53.31 C ATOM 1437 CD2 PHE A 85 -0.784 4.652 -3.938 1.00 63.21 C ATOM 1438 CE1 PHE A 85 -2.442 2.756 -2.814 1.00 74.32 C ATOM 1439 CE2 PHE A 85 -0.559 4.217 -2.647 1.00 32.55 C ATOM 1440 CZ PHE A 85 -1.386 3.269 -2.087 1.00 13.20 C ATOM 0 H PHE A 85 -0.177 3.243 -6.816 1.00 2.21 H new ATOM 0 HA PHE A 85 -2.923 2.748 -6.797 1.00 63.41 H new ATOM 0 HB2 PHE A 85 -1.286 5.302 -6.430 1.00 10.22 H new ATOM 0 HB3 PHE A 85 -3.014 5.229 -6.144 1.00 10.22 H new ATOM 0 HD1 PHE A 85 -3.497 2.781 -4.669 1.00 53.31 H new ATOM 0 HD2 PHE A 85 -0.130 5.396 -4.367 1.00 63.21 H new ATOM 0 HE1 PHE A 85 -3.092 2.015 -2.372 1.00 74.32 H new ATOM 0 HE2 PHE A 85 0.265 4.620 -2.077 1.00 32.55 H new ATOM 0 HZ PHE A 85 -1.209 2.926 -1.078 1.00 13.20 H new ATOM 1450 N ALA A 86 -1.922 4.630 -9.333 1.00 44.24 N ATOM 1451 CA ALA A 86 -2.281 5.187 -10.652 1.00 52.31 C ATOM 1452 C ALA A 86 -2.831 4.116 -11.611 1.00 1.10 C ATOM 1453 O ALA A 86 -3.713 4.400 -12.429 1.00 24.44 O ATOM 1454 CB ALA A 86 -1.060 5.869 -11.281 1.00 21.25 C ATOM 0 H ALA A 86 -0.939 4.757 -9.094 1.00 44.24 H new ATOM 0 HA ALA A 86 -3.074 5.917 -10.490 1.00 52.31 H new ATOM 0 HB1 ALA A 86 -1.333 6.278 -12.254 1.00 21.25 H new ATOM 0 HB2 ALA A 86 -0.719 6.675 -10.632 1.00 21.25 H new ATOM 0 HB3 ALA A 86 -0.260 5.140 -11.405 1.00 21.25 H new ATOM 1460 N GLU A 87 -2.307 2.883 -11.499 1.00 41.11 N ATOM 1461 CA GLU A 87 -2.665 1.766 -12.392 1.00 44.30 C ATOM 1462 C GLU A 87 -3.916 1.008 -11.912 1.00 54.23 C ATOM 1463 O GLU A 87 -4.517 0.268 -12.694 1.00 13.10 O ATOM 1464 CB GLU A 87 -1.461 0.798 -12.547 1.00 55.42 C ATOM 1465 CG GLU A 87 -0.266 1.415 -13.306 1.00 22.54 C ATOM 1466 CD GLU A 87 0.838 0.401 -13.605 1.00 34.35 C ATOM 1467 OE1 GLU A 87 1.578 0.020 -12.671 1.00 1.20 O ATOM 1468 OE2 GLU A 87 0.948 -0.058 -14.765 1.00 4.42 O ATOM 0 H GLU A 87 -1.622 2.632 -10.786 1.00 41.11 H new ATOM 0 HA GLU A 87 -2.910 2.192 -13.365 1.00 44.30 H new ATOM 0 HB2 GLU A 87 -1.129 0.483 -11.558 1.00 55.42 H new ATOM 0 HB3 GLU A 87 -1.791 -0.098 -13.073 1.00 55.42 H new ATOM 0 HG2 GLU A 87 -0.620 1.845 -14.243 1.00 22.54 H new ATOM 0 HG3 GLU A 87 0.149 2.233 -12.717 1.00 22.54 H new ATOM 1475 N LEU A 88 -4.329 1.208 -10.650 1.00 72.43 N ATOM 1476 CA LEU A 88 -5.415 0.400 -10.030 1.00 30.00 C ATOM 1477 C LEU A 88 -6.731 1.193 -9.885 1.00 13.31 C ATOM 1478 O LEU A 88 -7.767 0.607 -9.553 1.00 14.32 O ATOM 1479 CB LEU A 88 -4.949 -0.174 -8.664 1.00 52.21 C ATOM 1480 CG LEU A 88 -3.733 -1.158 -8.707 1.00 54.33 C ATOM 1481 CD1 LEU A 88 -3.426 -1.706 -7.303 1.00 30.30 C ATOM 1482 CD2 LEU A 88 -3.951 -2.310 -9.719 1.00 64.23 C ATOM 0 H LEU A 88 -3.934 1.918 -10.033 1.00 72.43 H new ATOM 0 HA LEU A 88 -5.629 -0.430 -10.703 1.00 30.00 H new ATOM 0 HB2 LEU A 88 -4.692 0.660 -8.012 1.00 52.21 H new ATOM 0 HB3 LEU A 88 -5.792 -0.690 -8.204 1.00 52.21 H new ATOM 0 HG LEU A 88 -2.869 -0.591 -9.052 1.00 54.33 H new ATOM 0 HD11 LEU A 88 -2.577 -2.388 -7.356 1.00 30.30 H new ATOM 0 HD12 LEU A 88 -3.186 -0.879 -6.634 1.00 30.30 H new ATOM 0 HD13 LEU A 88 -4.297 -2.240 -6.922 1.00 30.30 H new ATOM 0 HD21 LEU A 88 -3.082 -2.968 -9.715 1.00 64.23 H new ATOM 0 HD22 LEU A 88 -4.837 -2.878 -9.438 1.00 64.23 H new ATOM 0 HD23 LEU A 88 -4.087 -1.896 -10.718 1.00 64.23 H new ATOM 1494 N GLY A 89 -6.691 2.513 -10.132 1.00 50.03 N ATOM 1495 CA GLY A 89 -7.910 3.348 -10.143 1.00 55.45 C ATOM 1496 C GLY A 89 -7.912 4.452 -9.093 1.00 62.31 C ATOM 1497 O GLY A 89 -8.965 5.035 -8.806 1.00 34.05 O ATOM 0 H GLY A 89 -5.831 3.026 -10.327 1.00 50.03 H new ATOM 0 HA2 GLY A 89 -8.021 3.798 -11.129 1.00 55.45 H new ATOM 0 HA3 GLY A 89 -8.778 2.708 -9.985 1.00 55.45 H new ATOM 1501 N TYR A 90 -6.739 4.729 -8.509 1.00 74.21 N ATOM 1502 CA TYR A 90 -6.541 5.841 -7.558 1.00 0.03 C ATOM 1503 C TYR A 90 -5.690 6.929 -8.239 1.00 12.24 C ATOM 1504 O TYR A 90 -4.873 6.619 -9.110 1.00 50.21 O ATOM 1505 CB TYR A 90 -5.805 5.347 -6.273 1.00 41.34 C ATOM 1506 CG TYR A 90 -6.319 4.025 -5.689 1.00 10.22 C ATOM 1507 CD1 TYR A 90 -5.804 2.796 -6.131 1.00 30.34 C ATOM 1508 CD2 TYR A 90 -7.301 3.995 -4.693 1.00 32.25 C ATOM 1509 CE1 TYR A 90 -6.239 1.604 -5.605 1.00 23.34 C ATOM 1510 CE2 TYR A 90 -7.739 2.796 -4.167 1.00 24.13 C ATOM 1511 CZ TYR A 90 -7.206 1.608 -4.629 1.00 32.20 C ATOM 1512 OH TYR A 90 -7.634 0.416 -4.109 1.00 72.15 O ATOM 0 H TYR A 90 -5.892 4.187 -8.681 1.00 74.21 H new ATOM 0 HA TYR A 90 -7.514 6.238 -7.270 1.00 0.03 H new ATOM 0 HB2 TYR A 90 -4.745 5.236 -6.502 1.00 41.34 H new ATOM 0 HB3 TYR A 90 -5.887 6.119 -5.508 1.00 41.34 H new ATOM 0 HD1 TYR A 90 -5.048 2.788 -6.902 1.00 30.34 H new ATOM 0 HD2 TYR A 90 -7.722 4.921 -4.331 1.00 32.25 H new ATOM 0 HE1 TYR A 90 -5.824 0.671 -5.956 1.00 23.34 H new ATOM 0 HE2 TYR A 90 -8.496 2.787 -3.397 1.00 24.13 H new ATOM 0 HH TYR A 90 -8.129 0.580 -3.279 1.00 72.15 H new ATOM 1522 N ASN A 91 -5.896 8.187 -7.853 1.00 15.11 N ATOM 1523 CA ASN A 91 -5.017 9.290 -8.284 1.00 31.42 C ATOM 1524 C ASN A 91 -3.817 9.397 -7.333 1.00 10.53 C ATOM 1525 O ASN A 91 -3.835 8.839 -6.225 1.00 71.44 O ATOM 1526 CB ASN A 91 -5.801 10.632 -8.314 1.00 75.25 C ATOM 1527 CG ASN A 91 -6.954 10.666 -9.330 1.00 12.13 C ATOM 1528 OD1 ASN A 91 -6.778 10.029 -10.481 1.00 63.23 O flip ATOM 1529 ND2 ASN A 91 -7.991 11.291 -9.093 1.00 14.43 N flip ATOM 0 H ASN A 91 -6.661 8.475 -7.243 1.00 15.11 H new ATOM 0 HA ASN A 91 -4.657 9.081 -9.292 1.00 31.42 H new ATOM 0 HB2 ASN A 91 -6.202 10.828 -7.320 1.00 75.25 H new ATOM 0 HB3 ASN A 91 -5.107 11.440 -8.542 1.00 75.25 H new ATOM 0 HD21 ASN A 91 -8.104 11.773 -8.201 1.00 14.43 H new ATOM 0 HD22 ASN A 91 -8.736 11.326 -9.789 1.00 14.43 H new ATOM 1536 N ASP A 92 -2.794 10.168 -7.744 1.00 22.22 N ATOM 1537 CA ASP A 92 -1.619 10.475 -6.901 1.00 3.10 C ATOM 1538 C ASP A 92 -1.891 11.742 -6.051 1.00 14.43 C ATOM 1539 O ASP A 92 -0.974 12.492 -5.696 1.00 31.31 O ATOM 1540 CB ASP A 92 -0.345 10.617 -7.783 1.00 5.33 C ATOM 1541 CG ASP A 92 -0.378 11.799 -8.773 1.00 4.21 C ATOM 1542 OD1 ASP A 92 -1.183 11.766 -9.729 1.00 14.13 O ATOM 1543 OD2 ASP A 92 0.409 12.759 -8.613 1.00 10.43 O ATOM 0 H ASP A 92 -2.756 10.597 -8.669 1.00 22.22 H new ATOM 0 HA ASP A 92 -1.441 9.651 -6.210 1.00 3.10 H new ATOM 0 HB2 ASP A 92 0.521 10.730 -7.131 1.00 5.33 H new ATOM 0 HB3 ASP A 92 -0.203 9.694 -8.345 1.00 5.33 H new ATOM 1548 N SER A 93 -3.172 11.911 -5.683 1.00 25.13 N ATOM 1549 CA SER A 93 -3.663 12.981 -4.812 1.00 15.42 C ATOM 1550 C SER A 93 -4.087 12.354 -3.480 1.00 11.20 C ATOM 1551 O SER A 93 -4.020 12.990 -2.427 1.00 43.22 O ATOM 1552 CB SER A 93 -4.859 13.688 -5.485 1.00 41.30 C ATOM 1553 OG SER A 93 -5.926 12.776 -5.738 1.00 20.40 O ATOM 0 H SER A 93 -3.914 11.285 -5.996 1.00 25.13 H new ATOM 0 HA SER A 93 -2.884 13.723 -4.637 1.00 15.42 H new ATOM 0 HB2 SER A 93 -5.213 14.496 -4.845 1.00 41.30 H new ATOM 0 HB3 SER A 93 -4.536 14.141 -6.422 1.00 41.30 H new ATOM 0 HG SER A 93 -6.670 13.252 -6.163 1.00 20.40 H new ATOM 1559 N ASN A 94 -4.499 11.075 -3.556 1.00 33.14 N ATOM 1560 CA ASN A 94 -4.915 10.276 -2.393 1.00 25.42 C ATOM 1561 C ASN A 94 -3.697 9.796 -1.593 1.00 60.10 C ATOM 1562 O ASN A 94 -3.843 9.272 -0.492 1.00 73.51 O ATOM 1563 CB ASN A 94 -5.739 9.051 -2.860 1.00 22.22 C ATOM 1564 CG ASN A 94 -6.890 9.415 -3.794 1.00 13.51 C ATOM 1565 OD1 ASN A 94 -6.740 9.399 -5.022 1.00 4.11 O ATOM 1566 ND2 ASN A 94 -8.037 9.780 -3.238 1.00 31.13 N ATOM 0 H ASN A 94 -4.552 10.564 -4.437 1.00 33.14 H new ATOM 0 HA ASN A 94 -5.528 10.908 -1.750 1.00 25.42 H new ATOM 0 HB2 ASN A 94 -5.077 8.349 -3.368 1.00 22.22 H new ATOM 0 HB3 ASN A 94 -6.139 8.537 -1.986 1.00 22.22 H new ATOM 0 HD21 ASN A 94 -8.823 10.057 -3.826 1.00 31.13 H new ATOM 0 HD22 ASN A 94 -8.133 9.784 -2.223 1.00 31.13 H new ATOM 1573 N VAL A 95 -2.488 9.986 -2.150 1.00 72.40 N ATOM 1574 CA VAL A 95 -1.243 9.495 -1.557 1.00 73.33 C ATOM 1575 C VAL A 95 -0.686 10.577 -0.604 1.00 53.54 C ATOM 1576 O VAL A 95 -0.071 11.550 -1.047 1.00 42.32 O ATOM 1577 CB VAL A 95 -0.206 9.122 -2.695 1.00 20.14 C ATOM 1578 CG1 VAL A 95 1.058 8.431 -2.124 1.00 55.24 C ATOM 1579 CG2 VAL A 95 -0.880 8.235 -3.773 1.00 21.34 C ATOM 0 H VAL A 95 -2.352 10.487 -3.028 1.00 72.40 H new ATOM 0 HA VAL A 95 -1.429 8.588 -0.982 1.00 73.33 H new ATOM 0 HB VAL A 95 0.119 10.052 -3.160 1.00 20.14 H new ATOM 0 HG11 VAL A 95 1.742 8.193 -2.939 1.00 55.24 H new ATOM 0 HG12 VAL A 95 1.552 9.100 -1.420 1.00 55.24 H new ATOM 0 HG13 VAL A 95 0.771 7.513 -1.611 1.00 55.24 H new ATOM 0 HG21 VAL A 95 -0.154 7.988 -4.547 1.00 21.34 H new ATOM 0 HG22 VAL A 95 -1.246 7.317 -3.312 1.00 21.34 H new ATOM 0 HG23 VAL A 95 -1.715 8.775 -4.218 1.00 21.34 H new ATOM 1589 N THR A 96 -0.938 10.403 0.710 1.00 10.31 N ATOM 1590 CA THR A 96 -0.547 11.372 1.752 1.00 60.35 C ATOM 1591 C THR A 96 0.269 10.661 2.836 1.00 0.22 C ATOM 1592 O THR A 96 -0.279 9.884 3.623 1.00 43.11 O ATOM 1593 CB THR A 96 -1.803 12.054 2.389 1.00 4.01 C ATOM 1594 OG1 THR A 96 -2.584 12.666 1.351 1.00 42.11 O ATOM 1595 CG2 THR A 96 -1.433 13.116 3.455 1.00 50.01 C ATOM 0 H THR A 96 -1.420 9.583 1.078 1.00 10.31 H new ATOM 0 HA THR A 96 0.060 12.149 1.288 1.00 60.35 H new ATOM 0 HB THR A 96 -2.375 11.277 2.897 1.00 4.01 H new ATOM 0 HG1 THR A 96 -3.373 13.093 1.744 1.00 42.11 H new ATOM 0 HG21 THR A 96 -2.344 13.555 3.862 1.00 50.01 H new ATOM 0 HG22 THR A 96 -0.867 12.644 4.258 1.00 50.01 H new ATOM 0 HG23 THR A 96 -0.827 13.897 2.996 1.00 50.01 H new ATOM 1603 N TRP A 97 1.585 10.909 2.837 1.00 54.24 N ATOM 1604 CA TRP A 97 2.503 10.367 3.836 1.00 2.31 C ATOM 1605 C TRP A 97 2.381 11.145 5.156 1.00 61.12 C ATOM 1606 O TRP A 97 2.730 12.328 5.238 1.00 61.05 O ATOM 1607 CB TRP A 97 3.967 10.410 3.333 1.00 0.01 C ATOM 1608 CG TRP A 97 4.281 9.405 2.249 1.00 53.23 C ATOM 1609 CD1 TRP A 97 3.924 9.461 0.927 1.00 73.12 C ATOM 1610 CD2 TRP A 97 5.019 8.187 2.413 1.00 24.44 C ATOM 1611 NE1 TRP A 97 4.403 8.358 0.267 1.00 42.10 N ATOM 1612 CE2 TRP A 97 5.080 7.561 1.160 1.00 63.11 C ATOM 1613 CE3 TRP A 97 5.646 7.573 3.506 1.00 15.32 C ATOM 1614 CZ2 TRP A 97 5.748 6.356 0.965 1.00 55.31 C ATOM 1615 CZ3 TRP A 97 6.290 6.370 3.316 1.00 55.42 C ATOM 1616 CH2 TRP A 97 6.341 5.771 2.050 1.00 11.14 C ATOM 0 H TRP A 97 2.041 11.496 2.138 1.00 54.24 H new ATOM 0 HA TRP A 97 2.230 9.326 4.008 1.00 2.31 H new ATOM 0 HB2 TRP A 97 4.181 11.411 2.958 1.00 0.01 H new ATOM 0 HB3 TRP A 97 4.634 10.237 4.177 1.00 0.01 H new ATOM 0 HD1 TRP A 97 3.351 10.255 0.472 1.00 73.12 H new ATOM 0 HE1 TRP A 97 4.277 8.161 -0.726 1.00 42.10 H new ATOM 0 HE3 TRP A 97 5.625 8.036 4.482 1.00 15.32 H new ATOM 0 HZ2 TRP A 97 5.797 5.897 -0.012 1.00 55.31 H new ATOM 0 HZ3 TRP A 97 6.763 5.881 4.155 1.00 55.42 H new ATOM 0 HH2 TRP A 97 6.858 4.830 1.929 1.00 11.14 H new ATOM 1627 N ASP A 98 1.861 10.464 6.162 1.00 1.34 N ATOM 1628 CA ASP A 98 1.838 10.919 7.550 1.00 11.13 C ATOM 1629 C ASP A 98 2.848 10.039 8.283 1.00 43.45 C ATOM 1630 O ASP A 98 2.527 8.900 8.631 1.00 32.11 O ATOM 1631 CB ASP A 98 0.413 10.753 8.140 1.00 22.01 C ATOM 1632 CG ASP A 98 0.293 11.243 9.601 1.00 13.54 C ATOM 1633 OD1 ASP A 98 0.017 12.445 9.820 1.00 41.42 O ATOM 1634 OD2 ASP A 98 0.463 10.429 10.538 1.00 73.12 O ATOM 0 H ASP A 98 1.428 9.549 6.036 1.00 1.34 H new ATOM 0 HA ASP A 98 2.094 11.974 7.645 1.00 11.13 H new ATOM 0 HB2 ASP A 98 -0.295 11.303 7.521 1.00 22.01 H new ATOM 0 HB3 ASP A 98 0.128 9.702 8.092 1.00 22.01 H new ATOM 1639 N GLY A 99 4.089 10.539 8.417 1.00 61.24 N ATOM 1640 CA GLY A 99 5.198 9.749 8.946 1.00 12.45 C ATOM 1641 C GLY A 99 5.555 8.574 8.033 1.00 30.23 C ATOM 1642 O GLY A 99 5.823 8.775 6.845 1.00 13.25 O ATOM 0 H GLY A 99 4.343 11.494 8.162 1.00 61.24 H new ATOM 0 HA2 GLY A 99 6.071 10.389 9.071 1.00 12.45 H new ATOM 0 HA3 GLY A 99 4.935 9.373 9.935 1.00 12.45 H new ATOM 1646 N ASP A 100 5.495 7.346 8.574 1.00 10.42 N ATOM 1647 CA ASP A 100 5.802 6.100 7.828 1.00 30.35 C ATOM 1648 C ASP A 100 4.536 5.509 7.171 1.00 11.33 C ATOM 1649 O ASP A 100 4.605 4.466 6.517 1.00 52.32 O ATOM 1650 CB ASP A 100 6.440 5.048 8.790 1.00 21.23 C ATOM 1651 CG ASP A 100 5.539 4.706 10.002 1.00 24.43 C ATOM 1652 OD1 ASP A 100 4.657 3.818 9.887 1.00 3.32 O ATOM 1653 OD2 ASP A 100 5.707 5.329 11.074 1.00 21.31 O ATOM 0 H ASP A 100 5.232 7.182 9.546 1.00 10.42 H new ATOM 0 HA ASP A 100 6.509 6.348 7.036 1.00 30.35 H new ATOM 0 HB2 ASP A 100 6.650 4.135 8.232 1.00 21.23 H new ATOM 0 HB3 ASP A 100 7.396 5.428 9.151 1.00 21.23 H new ATOM 1658 N THR A 101 3.383 6.175 7.349 1.00 24.43 N ATOM 1659 CA THR A 101 2.071 5.637 6.977 1.00 21.41 C ATOM 1660 C THR A 101 1.400 6.540 5.933 1.00 20.53 C ATOM 1661 O THR A 101 1.125 7.701 6.216 1.00 12.33 O ATOM 1662 CB THR A 101 1.165 5.544 8.247 1.00 45.20 C ATOM 1663 OG1 THR A 101 1.816 4.741 9.255 1.00 44.31 O ATOM 1664 CG2 THR A 101 -0.224 4.957 7.926 1.00 32.33 C ATOM 0 H THR A 101 3.339 7.108 7.758 1.00 24.43 H new ATOM 0 HA THR A 101 2.206 4.644 6.549 1.00 21.41 H new ATOM 0 HB THR A 101 1.015 6.557 8.620 1.00 45.20 H new ATOM 0 HG1 THR A 101 1.245 4.687 10.050 1.00 44.31 H new ATOM 0 HG21 THR A 101 -0.819 4.911 8.838 1.00 32.33 H new ATOM 0 HG22 THR A 101 -0.727 5.591 7.196 1.00 32.33 H new ATOM 0 HG23 THR A 101 -0.109 3.953 7.517 1.00 32.33 H new ATOM 1672 N VAL A 102 1.119 5.996 4.743 1.00 14.04 N ATOM 1673 CA VAL A 102 0.364 6.704 3.700 1.00 24.54 C ATOM 1674 C VAL A 102 -1.148 6.371 3.853 1.00 42.40 C ATOM 1675 O VAL A 102 -1.524 5.201 3.969 1.00 64.04 O ATOM 1676 CB VAL A 102 0.901 6.351 2.253 1.00 31.21 C ATOM 1677 CG1 VAL A 102 0.887 4.832 1.967 1.00 62.34 C ATOM 1678 CG2 VAL A 102 0.125 7.124 1.170 1.00 22.02 C ATOM 0 H VAL A 102 1.407 5.055 4.475 1.00 14.04 H new ATOM 0 HA VAL A 102 0.503 7.778 3.824 1.00 24.54 H new ATOM 0 HB VAL A 102 1.944 6.667 2.221 1.00 31.21 H new ATOM 0 HG11 VAL A 102 1.265 4.648 0.961 1.00 62.34 H new ATOM 0 HG12 VAL A 102 1.519 4.319 2.692 1.00 62.34 H new ATOM 0 HG13 VAL A 102 -0.133 4.456 2.045 1.00 62.34 H new ATOM 0 HG21 VAL A 102 0.515 6.862 0.186 1.00 22.02 H new ATOM 0 HG22 VAL A 102 -0.932 6.862 1.223 1.00 22.02 H new ATOM 0 HG23 VAL A 102 0.242 8.195 1.333 1.00 22.02 H new ATOM 1688 N THR A 103 -1.998 7.412 3.911 1.00 11.14 N ATOM 1689 CA THR A 103 -3.459 7.265 4.029 1.00 1.34 C ATOM 1690 C THR A 103 -4.109 7.578 2.669 1.00 3.11 C ATOM 1691 O THR A 103 -4.046 8.716 2.195 1.00 14.43 O ATOM 1692 CB THR A 103 -4.030 8.211 5.140 1.00 64.44 C ATOM 1693 OG1 THR A 103 -3.333 7.973 6.380 1.00 32.12 O ATOM 1694 CG2 THR A 103 -5.543 8.005 5.358 1.00 51.31 C ATOM 0 H THR A 103 -1.689 8.383 3.877 1.00 11.14 H new ATOM 0 HA THR A 103 -3.691 6.240 4.317 1.00 1.34 H new ATOM 0 HB THR A 103 -3.878 9.238 4.808 1.00 64.44 H new ATOM 0 HG1 THR A 103 -3.689 8.566 7.074 1.00 32.12 H new ATOM 0 HG21 THR A 103 -5.894 8.682 6.137 1.00 51.31 H new ATOM 0 HG22 THR A 103 -6.076 8.212 4.430 1.00 51.31 H new ATOM 0 HG23 THR A 103 -5.730 6.975 5.661 1.00 51.31 H new ATOM 1702 N VAL A 104 -4.684 6.540 2.042 1.00 75.34 N ATOM 1703 CA VAL A 104 -5.370 6.607 0.743 1.00 21.32 C ATOM 1704 C VAL A 104 -6.854 6.287 0.970 1.00 1.21 C ATOM 1705 O VAL A 104 -7.192 5.173 1.349 1.00 52.24 O ATOM 1706 CB VAL A 104 -4.728 5.572 -0.267 1.00 3.42 C ATOM 1707 CG1 VAL A 104 -5.499 5.501 -1.604 1.00 22.20 C ATOM 1708 CG2 VAL A 104 -3.235 5.901 -0.508 1.00 25.02 C ATOM 0 H VAL A 104 -4.684 5.600 2.439 1.00 75.34 H new ATOM 0 HA VAL A 104 -5.266 7.603 0.312 1.00 21.32 H new ATOM 0 HB VAL A 104 -4.800 4.586 0.193 1.00 3.42 H new ATOM 0 HG11 VAL A 104 -5.019 4.777 -2.263 1.00 22.20 H new ATOM 0 HG12 VAL A 104 -6.528 5.194 -1.415 1.00 22.20 H new ATOM 0 HG13 VAL A 104 -5.495 6.482 -2.079 1.00 22.20 H new ATOM 0 HG21 VAL A 104 -2.811 5.178 -1.205 1.00 25.02 H new ATOM 0 HG22 VAL A 104 -3.146 6.904 -0.926 1.00 25.02 H new ATOM 0 HG23 VAL A 104 -2.695 5.853 0.437 1.00 25.02 H new ATOM 1718 N GLU A 105 -7.728 7.271 0.770 1.00 43.31 N ATOM 1719 CA GLU A 105 -9.184 7.113 0.957 1.00 43.12 C ATOM 1720 C GLU A 105 -9.896 7.412 -0.362 1.00 72.44 C ATOM 1721 O GLU A 105 -9.449 8.263 -1.150 1.00 12.05 O ATOM 1722 CB GLU A 105 -9.726 8.012 2.112 1.00 51.21 C ATOM 1723 CG GLU A 105 -9.629 9.547 1.903 1.00 11.01 C ATOM 1724 CD GLU A 105 -8.191 10.063 1.701 1.00 61.23 C ATOM 1725 OE1 GLU A 105 -7.427 10.108 2.681 1.00 13.13 O ATOM 1726 OE2 GLU A 105 -7.806 10.378 0.548 1.00 42.32 O ATOM 0 H GLU A 105 -7.454 8.207 0.472 1.00 43.31 H new ATOM 0 HA GLU A 105 -9.387 6.083 1.250 1.00 43.12 H new ATOM 0 HB2 GLU A 105 -10.772 7.757 2.280 1.00 51.21 H new ATOM 0 HB3 GLU A 105 -9.186 7.758 3.024 1.00 51.21 H new ATOM 0 HG2 GLU A 105 -10.228 9.824 1.036 1.00 11.01 H new ATOM 0 HG3 GLU A 105 -10.066 10.049 2.766 1.00 11.01 H new ATOM 1733 N GLY A 106 -10.991 6.693 -0.605 1.00 1.32 N ATOM 1734 CA GLY A 106 -11.700 6.757 -1.872 1.00 31.21 C ATOM 1735 C GLY A 106 -12.602 5.559 -2.046 1.00 20.21 C ATOM 1736 O GLY A 106 -13.147 5.054 -1.066 1.00 14.34 O ATOM 0 H GLY A 106 -11.407 6.053 0.072 1.00 1.32 H new ATOM 0 HA2 GLY A 106 -12.291 7.672 -1.917 1.00 31.21 H new ATOM 0 HA3 GLY A 106 -10.984 6.800 -2.692 1.00 31.21 H new ATOM 1740 N GLN A 107 -12.792 5.113 -3.290 1.00 44.33 N ATOM 1741 CA GLN A 107 -13.606 3.928 -3.600 1.00 41.53 C ATOM 1742 C GLN A 107 -12.966 3.134 -4.742 1.00 62.13 C ATOM 1743 O GLN A 107 -12.056 3.619 -5.425 1.00 3.24 O ATOM 1744 CB GLN A 107 -15.080 4.317 -3.945 1.00 5.13 C ATOM 1745 CG GLN A 107 -15.314 5.017 -5.307 1.00 44.14 C ATOM 1746 CD GLN A 107 -14.662 6.395 -5.452 1.00 24.34 C ATOM 1747 OE1 GLN A 107 -14.488 7.136 -4.479 1.00 12.24 O ATOM 1748 NE2 GLN A 107 -14.308 6.763 -6.673 1.00 25.20 N ATOM 0 H GLN A 107 -12.388 5.561 -4.113 1.00 44.33 H new ATOM 0 HA GLN A 107 -13.639 3.298 -2.711 1.00 41.53 H new ATOM 0 HB2 GLN A 107 -15.686 3.411 -3.919 1.00 5.13 H new ATOM 0 HB3 GLN A 107 -15.452 4.972 -3.157 1.00 5.13 H new ATOM 0 HG2 GLN A 107 -14.938 4.370 -6.099 1.00 44.14 H new ATOM 0 HG3 GLN A 107 -16.388 5.122 -5.464 1.00 44.14 H new ATOM 0 HE21 GLN A 107 -14.462 6.133 -7.460 1.00 25.20 H new ATOM 0 HE22 GLN A 107 -13.881 7.676 -6.827 1.00 25.20 H new