USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 384 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 FME CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -111:sc= -0.4 (180deg=-2.05!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.607 K(o=-0.61,f=-1.9) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.31) USER MOD Single : A 29 GLN : amide:sc= -0.144 K(o=-0.14,f=1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 35 GLN : amide:sc= -0.0859 K(o=-0.086,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0137) USER MOD Single : A 41 LYS NZ :NH3+ 143:sc= -0.105 (180deg=-1) USER MOD Single : A 43 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 1.191 1.020 -1.545 1.00 21.12 N HETATM 2 CN FME A 1 0.525 2.183 -1.898 1.00 24.23 C HETATM 3 O1 FME A 1 -0.498 2.559 -1.377 1.00 1.24 O HETATM 4 CA FME A 1 0.744 0.354 -0.297 1.00 53.14 C HETATM 5 CB FME A 1 0.850 1.289 0.929 1.00 0.03 C HETATM 6 CG FME A 1 -0.068 0.910 2.107 1.00 62.32 C HETATM 7 SD FME A 1 0.378 -0.761 2.690 1.00 73.10 S HETATM 8 CE FME A 1 -1.161 -1.137 3.577 1.00 4.11 C HETATM 9 C FME A 1 -0.601 -0.356 -0.448 1.00 40.41 C HETATM 10 O FME A 1 -1.668 0.252 -0.371 1.00 31.32 O HETATM 0 HG3 FME A 1 0.039 1.633 2.916 1.00 62.32 H new HETATM 0 HG2 FME A 1 -1.112 0.934 1.794 1.00 62.32 H new HETATM 0 HE3 FME A 1 -1.094 -2.132 4.016 1.00 4.11 H new HETATM 0 HE2 FME A 1 -1.315 -0.402 4.367 1.00 4.11 H new HETATM 0 HE1 FME A 1 -2.000 -1.103 2.881 1.00 4.11 H new HETATM 0 HCN FME A 1 0.950 2.795 -2.694 1.00 24.23 H new HETATM 0 HB3 FME A 1 1.883 1.294 1.277 1.00 0.03 H new HETATM 0 HB2 FME A 1 0.615 2.306 0.615 1.00 0.03 H new HETATM 0 HA FME A 1 1.445 -0.456 -0.095 1.00 53.14 H new HETATM 0 H FME A 1 1.949 0.642 -2.113 1.00 21.12 H new ATOM 20 N GLY A 2 -0.529 -1.669 -0.643 1.00 23.02 N ATOM 21 CA GLY A 2 -1.734 -2.467 -0.776 1.00 42.54 C ATOM 22 C GLY A 2 -2.003 -2.875 -2.211 1.00 44.02 C ATOM 23 O GLY A 2 -3.080 -2.614 -2.746 1.00 64.14 O ATOM 0 H GLY A 2 0.343 -2.195 -0.711 1.00 23.02 H new ATOM 0 HA2 GLY A 2 -1.645 -3.360 -0.158 1.00 42.54 H new ATOM 0 HA3 GLY A 2 -2.585 -1.901 -0.397 1.00 42.54 H new ATOM 27 N ALA A 3 -1.020 -3.516 -2.836 1.00 74.02 N ATOM 28 CA ALA A 3 -1.156 -3.961 -4.217 1.00 74.34 C ATOM 29 C ALA A 3 -1.516 -2.799 -5.136 1.00 41.43 C ATOM 30 O ALA A 3 -2.219 -2.976 -6.132 1.00 25.43 O ATOM 31 CB ALA A 3 -2.205 -5.059 -4.317 1.00 73.12 C ATOM 0 H ALA A 3 -0.121 -3.738 -2.408 1.00 74.02 H new ATOM 0 HA ALA A 3 -0.195 -4.361 -4.540 1.00 74.34 H new ATOM 0 HB1 ALA A 3 -2.296 -5.382 -5.354 1.00 73.12 H new ATOM 0 HB2 ALA A 3 -1.906 -5.905 -3.698 1.00 73.12 H new ATOM 0 HB3 ALA A 3 -3.165 -4.677 -3.970 1.00 73.12 H new ATOM 37 N ILE A 4 -1.030 -1.610 -4.796 1.00 14.44 N ATOM 38 CA ILE A 4 -1.301 -0.418 -5.591 1.00 22.32 C ATOM 39 C ILE A 4 -0.108 -0.064 -6.473 1.00 13.44 C ATOM 40 O ILE A 4 -0.260 0.580 -7.510 1.00 54.51 O ATOM 41 CB ILE A 4 -1.642 0.789 -4.698 1.00 2.32 C ATOM 42 CG1 ILE A 4 -2.817 0.454 -3.777 1.00 2.53 C ATOM 43 CG2 ILE A 4 -1.962 2.006 -5.553 1.00 1.55 C ATOM 44 CD1 ILE A 4 -4.096 0.139 -4.520 1.00 12.24 C ATOM 0 H ILE A 4 -0.447 -1.446 -3.976 1.00 14.44 H new ATOM 0 HA ILE A 4 -2.161 -0.647 -6.221 1.00 22.32 H new ATOM 0 HB ILE A 4 -0.775 1.021 -4.079 1.00 2.32 H new ATOM 0 HG12 ILE A 4 -2.548 -0.399 -3.154 1.00 2.53 H new ATOM 0 HG13 ILE A 4 -2.994 1.295 -3.106 1.00 2.53 H new ATOM 0 HG21 ILE A 4 -2.201 2.851 -4.908 1.00 1.55 H new ATOM 0 HG22 ILE A 4 -1.099 2.254 -6.171 1.00 1.55 H new ATOM 0 HG23 ILE A 4 -2.816 1.786 -6.194 1.00 1.55 H new ATOM 0 HD11 ILE A 4 -4.886 -0.089 -3.804 1.00 12.24 H new ATOM 0 HD12 ILE A 4 -4.389 1.000 -5.122 1.00 12.24 H new ATOM 0 HD13 ILE A 4 -3.937 -0.721 -5.170 1.00 12.24 H new ATOM 56 N ALA A 5 1.078 -0.490 -6.053 1.00 64.10 N ATOM 57 CA ALA A 5 2.297 -0.221 -6.806 1.00 71.14 C ATOM 58 C ALA A 5 2.269 -0.917 -8.163 1.00 32.43 C ATOM 59 O ALA A 5 2.890 -0.458 -9.121 1.00 52.14 O ATOM 60 CB ALA A 5 3.517 -0.660 -6.011 1.00 21.24 C ATOM 0 H ALA A 5 1.221 -1.023 -5.195 1.00 64.10 H new ATOM 0 HA ALA A 5 2.358 0.853 -6.979 1.00 71.14 H new ATOM 0 HB1 ALA A 5 4.420 -0.453 -6.586 1.00 21.24 H new ATOM 0 HB2 ALA A 5 3.553 -0.113 -5.069 1.00 21.24 H new ATOM 0 HB3 ALA A 5 3.454 -1.729 -5.808 1.00 21.24 H new ATOM 66 N LYS A 6 1.545 -2.029 -8.237 1.00 21.32 N ATOM 67 CA LYS A 6 1.435 -2.790 -9.476 1.00 11.11 C ATOM 68 C LYS A 6 0.420 -2.151 -10.418 1.00 42.44 C ATOM 69 O LYS A 6 0.587 -2.179 -11.639 1.00 32.55 O ATOM 70 CB LYS A 6 1.029 -4.235 -9.177 1.00 4.00 C ATOM 71 CG LYS A 6 1.918 -4.916 -8.150 1.00 53.02 C ATOM 72 CD LYS A 6 3.285 -5.245 -8.726 1.00 11.50 C ATOM 73 CE LYS A 6 3.293 -6.609 -9.399 1.00 3.34 C ATOM 74 NZ LYS A 6 4.676 -7.134 -9.570 1.00 42.13 N ATOM 0 H LYS A 6 1.025 -2.423 -7.453 1.00 21.32 H new ATOM 0 HA LYS A 6 2.410 -2.786 -9.963 1.00 11.11 H new ATOM 0 HB2 LYS A 6 -0.001 -4.248 -8.820 1.00 4.00 H new ATOM 0 HB3 LYS A 6 1.052 -4.809 -10.103 1.00 4.00 H new ATOM 0 HG2 LYS A 6 2.035 -4.268 -7.282 1.00 53.02 H new ATOM 0 HG3 LYS A 6 1.439 -5.831 -7.803 1.00 53.02 H new ATOM 0 HD2 LYS A 6 3.570 -4.480 -9.448 1.00 11.50 H new ATOM 0 HD3 LYS A 6 4.030 -5.226 -7.931 1.00 11.50 H new ATOM 0 HE2 LYS A 6 2.709 -7.311 -8.804 1.00 3.34 H new ATOM 0 HE3 LYS A 6 2.809 -6.536 -10.373 1.00 3.34 H new ATOM 0 HZ1 LYS A 6 4.639 -8.065 -10.032 1.00 42.13 H new ATOM 0 HZ2 LYS A 6 5.226 -6.477 -10.159 1.00 42.13 H new ATOM 0 HZ3 LYS A 6 5.129 -7.227 -8.639 1.00 42.13 H new ATOM 88 N LEU A 7 -0.630 -1.573 -9.846 1.00 11.02 N ATOM 89 CA LEU A 7 -1.672 -0.925 -10.635 1.00 45.41 C ATOM 90 C LEU A 7 -1.224 0.459 -11.096 1.00 21.14 C ATOM 91 O LEU A 7 -1.428 0.837 -12.249 1.00 65.14 O ATOM 92 CB LEU A 7 -2.961 -0.811 -9.820 1.00 3.14 C ATOM 93 CG LEU A 7 -3.317 -2.021 -8.955 1.00 3.53 C ATOM 94 CD1 LEU A 7 -4.427 -1.669 -7.977 1.00 30.23 C ATOM 95 CD2 LEU A 7 -3.725 -3.198 -9.827 1.00 60.53 C ATOM 0 H LEU A 7 -0.783 -1.540 -8.838 1.00 11.02 H new ATOM 0 HA LEU A 7 -1.860 -1.538 -11.516 1.00 45.41 H new ATOM 0 HB2 LEU A 7 -2.882 0.063 -9.173 1.00 3.14 H new ATOM 0 HB3 LEU A 7 -3.787 -0.625 -10.507 1.00 3.14 H new ATOM 0 HG LEU A 7 -2.434 -2.308 -8.383 1.00 3.53 H new ATOM 0 HD11 LEU A 7 -4.667 -2.542 -7.370 1.00 30.23 H new ATOM 0 HD12 LEU A 7 -4.097 -0.856 -7.330 1.00 30.23 H new ATOM 0 HD13 LEU A 7 -5.313 -1.356 -8.529 1.00 30.23 H new ATOM 0 HD21 LEU A 7 -3.975 -4.050 -9.195 1.00 60.53 H new ATOM 0 HD22 LEU A 7 -4.594 -2.923 -10.426 1.00 60.53 H new ATOM 0 HD23 LEU A 7 -2.900 -3.465 -10.487 1.00 60.53 H new ATOM 107 N VAL A 8 -0.611 1.210 -10.186 1.00 41.12 N ATOM 108 CA VAL A 8 -0.131 2.551 -10.500 1.00 21.34 C ATOM 109 C VAL A 8 1.003 2.504 -11.518 1.00 0.55 C ATOM 110 O VAL A 8 1.228 3.464 -12.255 1.00 22.50 O ATOM 111 CB VAL A 8 0.358 3.281 -9.235 1.00 45.52 C ATOM 112 CG1 VAL A 8 0.903 4.657 -9.590 1.00 71.30 C ATOM 113 CG2 VAL A 8 -0.765 3.391 -8.215 1.00 63.30 C ATOM 0 H VAL A 8 -0.435 0.913 -9.226 1.00 41.12 H new ATOM 0 HA VAL A 8 -0.973 3.099 -10.924 1.00 21.34 H new ATOM 0 HB VAL A 8 1.166 2.699 -8.791 1.00 45.52 H new ATOM 0 HG11 VAL A 8 1.244 5.158 -8.684 1.00 71.30 H new ATOM 0 HG12 VAL A 8 1.739 4.550 -10.282 1.00 71.30 H new ATOM 0 HG13 VAL A 8 0.117 5.250 -10.059 1.00 71.30 H new ATOM 0 HG21 VAL A 8 -0.401 3.909 -7.328 1.00 63.30 H new ATOM 0 HG22 VAL A 8 -1.595 3.950 -8.647 1.00 63.30 H new ATOM 0 HG23 VAL A 8 -1.104 2.393 -7.938 1.00 63.30 H new ATOM 123 N ALA A 9 1.714 1.382 -11.552 1.00 41.33 N ATOM 124 CA ALA A 9 2.824 1.209 -12.482 1.00 14.52 C ATOM 125 C ALA A 9 2.361 1.375 -13.925 1.00 62.24 C ATOM 126 O ALA A 9 3.161 1.668 -14.815 1.00 15.12 O ATOM 127 CB ALA A 9 3.469 -0.154 -12.285 1.00 62.22 C ATOM 0 H ALA A 9 1.542 0.579 -10.947 1.00 41.33 H new ATOM 0 HA ALA A 9 3.564 1.982 -12.275 1.00 14.52 H new ATOM 0 HB1 ALA A 9 4.296 -0.270 -12.986 1.00 62.22 H new ATOM 0 HB2 ALA A 9 3.844 -0.235 -11.265 1.00 62.22 H new ATOM 0 HB3 ALA A 9 2.730 -0.935 -12.463 1.00 62.22 H new ATOM 133 N LYS A 10 1.066 1.184 -14.152 1.00 50.34 N ATOM 134 CA LYS A 10 0.496 1.313 -15.488 1.00 72.32 C ATOM 135 C LYS A 10 -0.488 2.476 -15.550 1.00 54.41 C ATOM 136 O LYS A 10 -0.673 3.091 -16.601 1.00 32.11 O ATOM 137 CB LYS A 10 -0.207 0.015 -15.892 1.00 62.42 C ATOM 138 CG LYS A 10 0.643 -1.227 -15.684 1.00 32.11 C ATOM 139 CD LYS A 10 1.806 -1.277 -16.661 1.00 34.53 C ATOM 140 CE LYS A 10 1.372 -1.815 -18.016 1.00 23.42 C ATOM 141 NZ LYS A 10 0.855 -0.736 -18.901 1.00 54.24 N ATOM 0 H LYS A 10 0.391 0.939 -13.428 1.00 50.34 H new ATOM 0 HA LYS A 10 1.310 1.511 -16.185 1.00 72.32 H new ATOM 0 HB2 LYS A 10 -1.127 -0.084 -15.317 1.00 62.42 H new ATOM 0 HB3 LYS A 10 -0.493 0.078 -16.942 1.00 62.42 H new ATOM 0 HG2 LYS A 10 1.024 -1.242 -14.663 1.00 32.11 H new ATOM 0 HG3 LYS A 10 0.025 -2.117 -15.807 1.00 32.11 H new ATOM 0 HD2 LYS A 10 2.224 -0.278 -16.782 1.00 34.53 H new ATOM 0 HD3 LYS A 10 2.597 -1.907 -16.255 1.00 34.53 H new ATOM 0 HE2 LYS A 10 2.216 -2.307 -18.499 1.00 23.42 H new ATOM 0 HE3 LYS A 10 0.600 -2.571 -17.876 1.00 23.42 H new ATOM 0 HZ1 LYS A 10 -0.169 -0.858 -19.036 1.00 54.24 H new ATOM 0 HZ2 LYS A 10 1.039 0.190 -18.464 1.00 54.24 H new ATOM 0 HZ3 LYS A 10 1.334 -0.784 -19.823 1.00 54.24 H new ATOM 155 N PHE A 11 -1.117 2.775 -14.418 1.00 23.12 N ATOM 156 CA PHE A 11 -2.082 3.866 -14.344 1.00 22.44 C ATOM 157 C PHE A 11 -1.382 5.193 -14.069 1.00 1.35 C ATOM 158 O PHE A 11 -1.436 6.116 -14.880 1.00 41.04 O ATOM 159 CB PHE A 11 -3.117 3.586 -13.252 1.00 24.22 C ATOM 160 CG PHE A 11 -3.968 2.379 -13.528 1.00 3.45 C ATOM 161 CD1 PHE A 11 -4.491 2.159 -14.791 1.00 71.44 C ATOM 162 CD2 PHE A 11 -4.244 1.466 -12.523 1.00 61.22 C ATOM 163 CE1 PHE A 11 -5.275 1.050 -15.047 1.00 72.34 C ATOM 164 CE2 PHE A 11 -5.027 0.355 -12.773 1.00 71.44 C ATOM 165 CZ PHE A 11 -5.543 0.146 -14.038 1.00 25.04 C ATOM 0 H PHE A 11 -0.976 2.277 -13.539 1.00 23.12 H new ATOM 0 HA PHE A 11 -2.589 3.936 -15.306 1.00 22.44 H new ATOM 0 HB2 PHE A 11 -2.602 3.448 -12.301 1.00 24.22 H new ATOM 0 HB3 PHE A 11 -3.762 4.458 -13.142 1.00 24.22 H new ATOM 0 HD1 PHE A 11 -4.284 2.862 -15.585 1.00 71.44 H new ATOM 0 HD2 PHE A 11 -3.843 1.624 -11.533 1.00 61.22 H new ATOM 0 HE1 PHE A 11 -5.678 0.890 -16.036 1.00 72.34 H new ATOM 0 HE2 PHE A 11 -5.235 -0.349 -11.981 1.00 71.44 H new ATOM 0 HZ PHE A 11 -6.154 -0.722 -14.237 1.00 25.04 H new ATOM 175 N GLY A 12 -0.725 5.282 -12.916 1.00 21.41 N ATOM 176 CA GLY A 12 -0.024 6.500 -12.553 1.00 33.42 C ATOM 177 C GLY A 12 -0.636 7.183 -11.346 1.00 75.12 C ATOM 178 O GLY A 12 -1.694 6.777 -10.865 1.00 73.21 O ATOM 0 H GLY A 12 -0.666 4.532 -12.227 1.00 21.41 H new ATOM 0 HA2 GLY A 12 1.020 6.266 -12.344 1.00 33.42 H new ATOM 0 HA3 GLY A 12 -0.034 7.187 -13.399 1.00 33.42 H new ATOM 182 N TRP A 13 0.030 8.222 -10.856 1.00 31.55 N ATOM 183 CA TRP A 13 -0.455 8.962 -9.696 1.00 22.42 C ATOM 184 C TRP A 13 -1.737 9.717 -10.029 1.00 22.31 C ATOM 185 O TRP A 13 -2.750 9.603 -9.338 1.00 63.13 O ATOM 186 CB TRP A 13 0.615 9.939 -9.205 1.00 74.04 C ATOM 187 CG TRP A 13 2.014 9.447 -9.422 1.00 75.50 C ATOM 188 CD1 TRP A 13 2.985 10.042 -10.175 1.00 13.30 C ATOM 189 CD2 TRP A 13 2.596 8.256 -8.881 1.00 62.33 C ATOM 190 NE1 TRP A 13 4.136 9.294 -10.135 1.00 22.51 N ATOM 191 CE2 TRP A 13 3.924 8.193 -9.347 1.00 41.03 C ATOM 192 CE3 TRP A 13 2.126 7.238 -8.047 1.00 65.43 C ATOM 193 CZ2 TRP A 13 4.784 7.152 -9.007 1.00 74.12 C ATOM 194 CZ3 TRP A 13 2.981 6.205 -7.711 1.00 33.11 C ATOM 195 CH2 TRP A 13 4.297 6.168 -8.189 1.00 42.53 C ATOM 0 H TRP A 13 0.907 8.571 -11.243 1.00 31.55 H new ATOM 0 HA TRP A 13 -0.673 8.246 -8.904 1.00 22.42 H new ATOM 0 HB2 TRP A 13 0.489 10.892 -9.718 1.00 74.04 H new ATOM 0 HB3 TRP A 13 0.465 10.127 -8.142 1.00 74.04 H new ATOM 0 HD1 TRP A 13 2.865 10.966 -10.722 1.00 13.30 H new ATOM 0 HE1 TRP A 13 5.007 9.521 -10.614 1.00 22.51 H new ATOM 0 HE3 TRP A 13 1.113 7.258 -7.672 1.00 65.43 H new ATOM 0 HZ2 TRP A 13 5.799 7.122 -9.375 1.00 74.12 H new ATOM 0 HZ3 TRP A 13 2.628 5.412 -7.068 1.00 33.11 H new ATOM 0 HH2 TRP A 13 4.940 5.347 -7.907 1.00 42.53 H new ATOM 206 N PRO A 14 -1.695 10.507 -11.112 1.00 73.31 N ATOM 207 CA PRO A 14 -2.846 11.295 -11.561 1.00 55.42 C ATOM 208 C PRO A 14 -3.965 10.422 -12.120 1.00 2.30 C ATOM 209 O PRO A 14 -5.064 10.904 -12.393 1.00 55.00 O ATOM 210 CB PRO A 14 -2.260 12.183 -12.662 1.00 14.21 C ATOM 211 CG PRO A 14 -1.079 11.430 -13.167 1.00 25.01 C ATOM 212 CD PRO A 14 -0.522 10.690 -11.982 1.00 45.40 C ATOM 0 HA PRO A 14 -3.302 11.852 -10.743 1.00 55.42 H new ATOM 0 HB2 PRO A 14 -2.986 12.360 -13.456 1.00 14.21 H new ATOM 0 HB3 PRO A 14 -1.970 13.159 -12.272 1.00 14.21 H new ATOM 0 HG2 PRO A 14 -1.367 10.738 -13.959 1.00 25.01 H new ATOM 0 HG3 PRO A 14 -0.336 12.107 -13.589 1.00 25.01 H new ATOM 0 HD2 PRO A 14 -0.085 9.735 -12.274 1.00 45.40 H new ATOM 0 HD3 PRO A 14 0.262 11.260 -11.484 1.00 45.40 H new ATOM 220 N PHE A 15 -3.677 9.136 -12.288 1.00 32.25 N ATOM 221 CA PHE A 15 -4.659 8.195 -12.814 1.00 52.35 C ATOM 222 C PHE A 15 -5.269 7.360 -11.692 1.00 52.25 C ATOM 223 O PHE A 15 -6.461 7.053 -11.711 1.00 75.22 O ATOM 224 CB PHE A 15 -4.012 7.278 -13.854 1.00 25.01 C ATOM 225 CG PHE A 15 -4.973 6.779 -14.895 1.00 5.02 C ATOM 226 CD1 PHE A 15 -5.698 5.617 -14.686 1.00 55.45 C ATOM 227 CD2 PHE A 15 -5.150 7.471 -16.082 1.00 5.41 C ATOM 228 CE1 PHE A 15 -6.584 5.156 -15.642 1.00 60.31 C ATOM 229 CE2 PHE A 15 -6.034 7.015 -17.041 1.00 22.21 C ATOM 230 CZ PHE A 15 -6.751 5.855 -16.821 1.00 61.13 C ATOM 0 H PHE A 15 -2.772 8.721 -12.068 1.00 32.25 H new ATOM 0 HA PHE A 15 -5.455 8.768 -13.290 1.00 52.35 H new ATOM 0 HB2 PHE A 15 -3.202 7.816 -14.347 1.00 25.01 H new ATOM 0 HB3 PHE A 15 -3.564 6.424 -13.345 1.00 25.01 H new ATOM 0 HD1 PHE A 15 -5.570 5.065 -13.766 1.00 55.45 H new ATOM 0 HD2 PHE A 15 -4.590 8.377 -16.260 1.00 5.41 H new ATOM 0 HE1 PHE A 15 -7.145 4.250 -15.467 1.00 60.31 H new ATOM 0 HE2 PHE A 15 -6.164 7.565 -17.961 1.00 22.21 H new ATOM 0 HZ PHE A 15 -7.441 5.495 -17.570 1.00 61.13 H new ATOM 240 N ILE A 16 -4.443 6.996 -10.718 1.00 0.54 N ATOM 241 CA ILE A 16 -4.900 6.198 -9.587 1.00 75.23 C ATOM 242 C ILE A 16 -5.710 7.042 -8.609 1.00 41.52 C ATOM 243 O ILE A 16 -6.606 6.540 -7.931 1.00 71.31 O ATOM 244 CB ILE A 16 -3.719 5.555 -8.837 1.00 61.13 C ATOM 245 CG1 ILE A 16 -4.226 4.507 -7.844 1.00 53.23 C ATOM 246 CG2 ILE A 16 -2.904 6.621 -8.121 1.00 25.24 C ATOM 247 CD1 ILE A 16 -4.095 3.086 -8.346 1.00 3.15 C ATOM 0 H ILE A 16 -3.453 7.241 -10.689 1.00 0.54 H new ATOM 0 HA ILE A 16 -5.534 5.410 -9.994 1.00 75.23 H new ATOM 0 HB ILE A 16 -3.074 5.058 -9.562 1.00 61.13 H new ATOM 0 HG12 ILE A 16 -3.673 4.606 -6.910 1.00 53.23 H new ATOM 0 HG13 ILE A 16 -5.273 4.709 -7.618 1.00 53.23 H new ATOM 0 HG21 ILE A 16 -2.073 6.151 -7.595 1.00 25.24 H new ATOM 0 HG22 ILE A 16 -2.517 7.333 -8.849 1.00 25.24 H new ATOM 0 HG23 ILE A 16 -3.538 7.143 -7.404 1.00 25.24 H new ATOM 0 HD11 ILE A 16 -4.474 2.397 -7.591 1.00 3.15 H new ATOM 0 HD12 ILE A 16 -4.671 2.970 -9.264 1.00 3.15 H new ATOM 0 HD13 ILE A 16 -3.046 2.866 -8.545 1.00 3.15 H new ATOM 259 N LYS A 17 -5.389 8.330 -8.542 1.00 52.21 N ATOM 260 CA LYS A 17 -6.088 9.248 -7.650 1.00 23.44 C ATOM 261 C LYS A 17 -7.457 9.616 -8.211 1.00 35.51 C ATOM 262 O LYS A 17 -8.329 10.094 -7.485 1.00 54.02 O ATOM 263 CB LYS A 17 -5.256 10.514 -7.434 1.00 12.10 C ATOM 264 CG LYS A 17 -5.221 11.432 -8.644 1.00 21.23 C ATOM 265 CD LYS A 17 -4.461 12.714 -8.349 1.00 12.33 C ATOM 266 CE LYS A 17 -3.000 12.436 -8.031 1.00 40.14 C ATOM 267 NZ LYS A 17 -2.261 13.682 -7.685 1.00 63.44 N ATOM 0 H LYS A 17 -4.649 8.762 -9.095 1.00 52.21 H new ATOM 0 HA LYS A 17 -6.231 8.747 -6.693 1.00 23.44 H new ATOM 0 HB2 LYS A 17 -5.659 11.063 -6.583 1.00 12.10 H new ATOM 0 HB3 LYS A 17 -4.236 10.229 -7.175 1.00 12.10 H new ATOM 0 HG2 LYS A 17 -4.752 10.915 -9.481 1.00 21.23 H new ATOM 0 HG3 LYS A 17 -6.239 11.673 -8.948 1.00 21.23 H new ATOM 0 HD2 LYS A 17 -4.527 13.383 -9.207 1.00 12.33 H new ATOM 0 HD3 LYS A 17 -4.926 13.228 -7.508 1.00 12.33 H new ATOM 0 HE2 LYS A 17 -2.936 11.733 -7.200 1.00 40.14 H new ATOM 0 HE3 LYS A 17 -2.526 11.959 -8.889 1.00 40.14 H new ATOM 0 HZ1 LYS A 17 -1.269 13.450 -7.475 1.00 63.44 H new ATOM 0 HZ2 LYS A 17 -2.300 14.343 -8.487 1.00 63.44 H new ATOM 0 HZ3 LYS A 17 -2.697 14.124 -6.851 1.00 63.44 H new ATOM 281 N LYS A 18 -7.641 9.388 -9.507 1.00 72.00 N ATOM 282 CA LYS A 18 -8.906 9.693 -10.166 1.00 63.41 C ATOM 283 C LYS A 18 -9.973 8.667 -9.797 1.00 24.21 C ATOM 284 O LYS A 18 -11.169 8.954 -9.850 1.00 63.24 O ATOM 285 CB LYS A 18 -8.718 9.725 -11.685 1.00 11.14 C ATOM 286 CG LYS A 18 -8.258 11.073 -12.212 1.00 12.21 C ATOM 287 CD LYS A 18 -9.420 12.041 -12.357 1.00 54.22 C ATOM 288 CE LYS A 18 -8.943 13.429 -12.755 1.00 12.51 C ATOM 289 NZ LYS A 18 -10.078 14.379 -12.923 1.00 41.03 N ATOM 0 H LYS A 18 -6.930 8.993 -10.122 1.00 72.00 H new ATOM 0 HA LYS A 18 -9.237 10.674 -9.826 1.00 63.41 H new ATOM 0 HB2 LYS A 18 -7.990 8.965 -11.969 1.00 11.14 H new ATOM 0 HB3 LYS A 18 -9.660 9.459 -12.165 1.00 11.14 H new ATOM 0 HG2 LYS A 18 -7.514 11.495 -11.536 1.00 12.21 H new ATOM 0 HG3 LYS A 18 -7.771 10.940 -13.178 1.00 12.21 H new ATOM 0 HD2 LYS A 18 -10.116 11.666 -13.107 1.00 54.22 H new ATOM 0 HD3 LYS A 18 -9.966 12.099 -11.416 1.00 54.22 H new ATOM 0 HE2 LYS A 18 -8.260 13.810 -11.996 1.00 12.51 H new ATOM 0 HE3 LYS A 18 -8.381 13.366 -13.687 1.00 12.51 H new ATOM 0 HZ1 LYS A 18 -9.711 15.314 -13.194 1.00 41.03 H new ATOM 0 HZ2 LYS A 18 -10.717 14.029 -13.665 1.00 41.03 H new ATOM 0 HZ3 LYS A 18 -10.600 14.459 -12.027 1.00 41.03 H new ATOM 303 N PHE A 19 -9.532 7.471 -9.421 1.00 71.31 N ATOM 304 CA PHE A 19 -10.450 6.402 -9.042 1.00 44.44 C ATOM 305 C PHE A 19 -9.914 5.625 -7.844 1.00 0.04 C ATOM 306 O PHE A 19 -10.165 4.428 -7.704 1.00 35.15 O ATOM 307 CB PHE A 19 -10.675 5.453 -10.221 1.00 2.01 C ATOM 308 CG PHE A 19 -11.609 6.001 -11.262 1.00 64.21 C ATOM 309 CD1 PHE A 19 -11.158 6.908 -12.207 1.00 60.04 C ATOM 310 CD2 PHE A 19 -12.937 5.609 -11.295 1.00 33.00 C ATOM 311 CE1 PHE A 19 -12.015 7.414 -13.167 1.00 64.21 C ATOM 312 CE2 PHE A 19 -13.798 6.111 -12.252 1.00 53.04 C ATOM 313 CZ PHE A 19 -13.337 7.015 -13.189 1.00 3.42 C ATOM 0 H PHE A 19 -8.545 7.217 -9.370 1.00 71.31 H new ATOM 0 HA PHE A 19 -11.401 6.855 -8.763 1.00 44.44 H new ATOM 0 HB2 PHE A 19 -9.715 5.231 -10.687 1.00 2.01 H new ATOM 0 HB3 PHE A 19 -11.074 4.510 -9.847 1.00 2.01 H new ATOM 0 HD1 PHE A 19 -10.125 7.224 -12.194 1.00 60.04 H new ATOM 0 HD2 PHE A 19 -13.304 4.903 -10.565 1.00 33.00 H new ATOM 0 HE1 PHE A 19 -11.651 8.120 -13.899 1.00 64.21 H new ATOM 0 HE2 PHE A 19 -14.831 5.797 -12.267 1.00 53.04 H new ATOM 0 HZ PHE A 19 -14.009 7.409 -13.937 1.00 3.42 H new ATOM 323 N TYR A 20 -9.174 6.314 -6.982 1.00 51.12 N ATOM 324 CA TYR A 20 -8.600 5.689 -5.797 1.00 22.23 C ATOM 325 C TYR A 20 -9.693 5.123 -4.895 1.00 51.43 C ATOM 326 O TYR A 20 -9.542 4.048 -4.314 1.00 43.45 O ATOM 327 CB TYR A 20 -7.755 6.700 -5.020 1.00 21.12 C ATOM 328 CG TYR A 20 -6.728 6.061 -4.113 1.00 30.45 C ATOM 329 CD1 TYR A 20 -5.826 5.124 -4.602 1.00 75.22 C ATOM 330 CD2 TYR A 20 -6.659 6.394 -2.765 1.00 41.54 C ATOM 331 CE1 TYR A 20 -4.887 4.537 -3.777 1.00 33.24 C ATOM 332 CE2 TYR A 20 -5.722 5.814 -1.933 1.00 30.43 C ATOM 333 CZ TYR A 20 -4.839 4.885 -2.443 1.00 2.11 C ATOM 334 OH TYR A 20 -3.904 4.304 -1.618 1.00 22.35 O ATOM 0 H TYR A 20 -8.958 7.306 -7.082 1.00 51.12 H new ATOM 0 HA TYR A 20 -7.963 4.867 -6.124 1.00 22.23 H new ATOM 0 HB2 TYR A 20 -7.246 7.355 -5.727 1.00 21.12 H new ATOM 0 HB3 TYR A 20 -8.415 7.329 -4.422 1.00 21.12 H new ATOM 0 HD1 TYR A 20 -5.860 4.850 -5.646 1.00 75.22 H new ATOM 0 HD2 TYR A 20 -7.350 7.119 -2.362 1.00 41.54 H new ATOM 0 HE1 TYR A 20 -4.194 3.810 -4.174 1.00 33.24 H new ATOM 0 HE2 TYR A 20 -5.681 6.086 -0.889 1.00 30.43 H new ATOM 0 HH TYR A 20 -4.004 4.659 -0.710 1.00 22.35 H new ATOM 344 N LYS A 21 -10.796 5.856 -4.784 1.00 31.33 N ATOM 345 CA LYS A 21 -11.918 5.429 -3.955 1.00 43.04 C ATOM 346 C LYS A 21 -12.392 4.036 -4.357 1.00 63.01 C ATOM 347 O LYS A 21 -12.789 3.238 -3.509 1.00 31.13 O ATOM 348 CB LYS A 21 -13.073 6.426 -4.073 1.00 20.15 C ATOM 349 CG LYS A 21 -12.730 7.816 -3.566 1.00 15.14 C ATOM 350 CD LYS A 21 -12.551 7.831 -2.057 1.00 22.12 C ATOM 351 CE LYS A 21 -12.429 9.250 -1.524 1.00 3.30 C ATOM 352 NZ LYS A 21 -11.165 9.902 -1.967 1.00 54.31 N ATOM 0 H LYS A 21 -10.937 6.748 -5.257 1.00 31.33 H new ATOM 0 HA LYS A 21 -11.580 5.394 -2.919 1.00 43.04 H new ATOM 0 HB2 LYS A 21 -13.378 6.494 -5.117 1.00 20.15 H new ATOM 0 HB3 LYS A 21 -13.929 6.046 -3.515 1.00 20.15 H new ATOM 0 HG2 LYS A 21 -11.815 8.163 -4.045 1.00 15.14 H new ATOM 0 HG3 LYS A 21 -13.521 8.512 -3.846 1.00 15.14 H new ATOM 0 HD2 LYS A 21 -13.399 7.335 -1.584 1.00 22.12 H new ATOM 0 HD3 LYS A 21 -11.660 7.263 -1.790 1.00 22.12 H new ATOM 0 HE2 LYS A 21 -13.280 9.840 -1.864 1.00 3.30 H new ATOM 0 HE3 LYS A 21 -12.467 9.233 -0.435 1.00 3.30 H new ATOM 0 HZ1 LYS A 21 -11.119 10.867 -1.583 1.00 54.31 H new ATOM 0 HZ2 LYS A 21 -10.352 9.353 -1.622 1.00 54.31 H new ATOM 0 HZ3 LYS A 21 -11.140 9.941 -3.006 1.00 54.31 H new ATOM 366 N GLN A 22 -12.345 3.751 -5.654 1.00 53.25 N ATOM 367 CA GLN A 22 -12.770 2.454 -6.167 1.00 24.31 C ATOM 368 C GLN A 22 -11.616 1.456 -6.146 1.00 41.41 C ATOM 369 O GLN A 22 -11.797 0.291 -5.793 1.00 60.43 O ATOM 370 CB GLN A 22 -13.311 2.596 -7.591 1.00 4.14 C ATOM 371 CG GLN A 22 -14.275 1.490 -7.989 1.00 3.24 C ATOM 372 CD GLN A 22 -15.308 1.952 -8.997 1.00 14.03 C ATOM 373 OE1 GLN A 22 -15.106 2.940 -9.703 1.00 4.22 O ATOM 374 NE2 GLN A 22 -16.425 1.237 -9.069 1.00 53.44 N ATOM 0 H GLN A 22 -12.017 4.401 -6.369 1.00 53.25 H new ATOM 0 HA GLN A 22 -13.564 2.079 -5.521 1.00 24.31 H new ATOM 0 HB2 GLN A 22 -13.816 3.558 -7.685 1.00 4.14 H new ATOM 0 HB3 GLN A 22 -12.474 2.606 -8.289 1.00 4.14 H new ATOM 0 HG2 GLN A 22 -13.712 0.656 -8.408 1.00 3.24 H new ATOM 0 HG3 GLN A 22 -14.782 1.118 -7.099 1.00 3.24 H new ATOM 0 HE21 GLN A 22 -16.551 0.425 -8.465 1.00 53.44 H new ATOM 0 HE22 GLN A 22 -17.157 1.500 -9.729 1.00 53.44 H new ATOM 383 N ILE A 23 -10.431 1.922 -6.526 1.00 40.12 N ATOM 384 CA ILE A 23 -9.248 1.071 -6.550 1.00 71.22 C ATOM 385 C ILE A 23 -8.941 0.517 -5.163 1.00 31.10 C ATOM 386 O ILE A 23 -8.944 -0.696 -4.953 1.00 43.33 O ATOM 387 CB ILE A 23 -8.016 1.834 -7.070 1.00 44.02 C ATOM 388 CG1 ILE A 23 -8.268 2.348 -8.489 1.00 61.42 C ATOM 389 CG2 ILE A 23 -6.785 0.940 -7.036 1.00 33.34 C ATOM 390 CD1 ILE A 23 -7.586 3.665 -8.785 1.00 63.13 C ATOM 0 H ILE A 23 -10.265 2.884 -6.821 1.00 40.12 H new ATOM 0 HA ILE A 23 -9.467 0.246 -7.228 1.00 71.22 H new ATOM 0 HB ILE A 23 -7.837 2.690 -6.420 1.00 44.02 H new ATOM 0 HG12 ILE A 23 -7.923 1.601 -9.204 1.00 61.42 H new ATOM 0 HG13 ILE A 23 -9.341 2.462 -8.640 1.00 61.42 H new ATOM 0 HG21 ILE A 23 -5.923 1.494 -7.407 1.00 33.34 H new ATOM 0 HG22 ILE A 23 -6.597 0.619 -6.012 1.00 33.34 H new ATOM 0 HG23 ILE A 23 -6.953 0.066 -7.665 1.00 33.34 H new ATOM 0 HD11 ILE A 23 -7.809 3.968 -9.808 1.00 63.13 H new ATOM 0 HD12 ILE A 23 -7.949 4.426 -8.094 1.00 63.13 H new ATOM 0 HD13 ILE A 23 -6.508 3.551 -8.667 1.00 63.13 H new ATOM 402 N MET A 24 -8.679 1.414 -4.218 1.00 43.24 N ATOM 403 CA MET A 24 -8.373 1.015 -2.850 1.00 1.15 C ATOM 404 C MET A 24 -9.482 0.137 -2.279 1.00 11.35 C ATOM 405 O MET A 24 -9.242 -0.683 -1.393 1.00 11.31 O ATOM 406 CB MET A 24 -8.178 2.250 -1.967 1.00 72.50 C ATOM 407 CG MET A 24 -9.477 2.961 -1.622 1.00 24.32 C ATOM 408 SD MET A 24 -9.240 4.718 -1.293 1.00 60.33 S ATOM 409 CE MET A 24 -8.765 4.678 0.433 1.00 14.44 C ATOM 0 H MET A 24 -8.673 2.422 -4.375 1.00 43.24 H new ATOM 0 HA MET A 24 -7.448 0.438 -2.864 1.00 1.15 H new ATOM 0 HB2 MET A 24 -7.680 1.952 -1.044 1.00 72.50 H new ATOM 0 HB3 MET A 24 -7.514 2.949 -2.476 1.00 72.50 H new ATOM 0 HG2 MET A 24 -10.182 2.841 -2.445 1.00 24.32 H new ATOM 0 HG3 MET A 24 -9.924 2.489 -0.747 1.00 24.32 H new ATOM 0 HE1 MET A 24 -8.583 5.694 0.784 1.00 14.44 H new ATOM 0 HE2 MET A 24 -9.566 4.229 1.020 1.00 14.44 H new ATOM 0 HE3 MET A 24 -7.856 4.087 0.547 1.00 14.44 H new ATOM 419 N GLN A 25 -10.695 0.316 -2.791 1.00 72.14 N ATOM 420 CA GLN A 25 -11.841 -0.460 -2.331 1.00 4.13 C ATOM 421 C GLN A 25 -11.704 -1.924 -2.734 1.00 72.35 C ATOM 422 O GLN A 25 -12.189 -2.818 -2.040 1.00 71.14 O ATOM 423 CB GLN A 25 -13.137 0.119 -2.899 1.00 14.34 C ATOM 424 CG GLN A 25 -13.860 1.050 -1.938 1.00 33.51 C ATOM 425 CD GLN A 25 -14.493 0.311 -0.775 1.00 75.44 C ATOM 426 OE1 GLN A 25 -13.871 0.127 0.271 1.00 33.21 O ATOM 427 NE2 GLN A 25 -15.738 -0.118 -0.953 1.00 42.21 N ATOM 0 H GLN A 25 -10.910 0.991 -3.524 1.00 72.14 H new ATOM 0 HA GLN A 25 -11.873 -0.403 -1.243 1.00 4.13 H new ATOM 0 HB2 GLN A 25 -12.911 0.662 -3.817 1.00 14.34 H new ATOM 0 HB3 GLN A 25 -13.804 -0.700 -3.169 1.00 14.34 H new ATOM 0 HG2 GLN A 25 -13.156 1.788 -1.554 1.00 33.51 H new ATOM 0 HG3 GLN A 25 -14.632 1.597 -2.479 1.00 33.51 H new ATOM 0 HE21 GLN A 25 -16.216 0.057 -1.837 1.00 42.21 H new ATOM 0 HE22 GLN A 25 -16.216 -0.622 -0.206 1.00 42.21 H new ATOM 436 N PHE A 26 -11.041 -2.163 -3.861 1.00 54.13 N ATOM 437 CA PHE A 26 -10.842 -3.519 -4.359 1.00 33.24 C ATOM 438 C PHE A 26 -9.843 -4.276 -3.489 1.00 24.00 C ATOM 439 O PHE A 26 -10.016 -5.464 -3.216 1.00 33.10 O ATOM 440 CB PHE A 26 -10.353 -3.487 -5.808 1.00 23.01 C ATOM 441 CG PHE A 26 -11.388 -2.998 -6.780 1.00 12.43 C ATOM 442 CD1 PHE A 26 -12.689 -3.472 -6.723 1.00 40.43 C ATOM 443 CD2 PHE A 26 -11.061 -2.063 -7.749 1.00 61.30 C ATOM 444 CE1 PHE A 26 -13.643 -3.023 -7.617 1.00 34.41 C ATOM 445 CE2 PHE A 26 -12.011 -1.611 -8.645 1.00 73.11 C ATOM 446 CZ PHE A 26 -13.305 -2.091 -8.578 1.00 65.21 C ATOM 0 H PHE A 26 -10.632 -1.435 -4.447 1.00 54.13 H new ATOM 0 HA PHE A 26 -11.799 -4.038 -4.318 1.00 33.24 H new ATOM 0 HB2 PHE A 26 -9.474 -2.845 -5.872 1.00 23.01 H new ATOM 0 HB3 PHE A 26 -10.038 -4.489 -6.099 1.00 23.01 H new ATOM 0 HD1 PHE A 26 -12.960 -4.200 -5.972 1.00 40.43 H new ATOM 0 HD2 PHE A 26 -10.052 -1.683 -7.805 1.00 61.30 H new ATOM 0 HE1 PHE A 26 -14.653 -3.401 -7.564 1.00 34.41 H new ATOM 0 HE2 PHE A 26 -11.742 -0.884 -9.397 1.00 73.11 H new ATOM 0 HZ PHE A 26 -14.050 -1.738 -9.276 1.00 65.21 H new ATOM 456 N ILE A 27 -8.796 -3.579 -3.058 1.00 34.51 N ATOM 457 CA ILE A 27 -7.769 -4.185 -2.219 1.00 54.23 C ATOM 458 C ILE A 27 -8.372 -4.764 -0.944 1.00 10.02 C ATOM 459 O ILE A 27 -8.165 -5.933 -0.622 1.00 25.11 O ATOM 460 CB ILE A 27 -6.678 -3.166 -1.841 1.00 53.33 C ATOM 461 CG1 ILE A 27 -6.092 -2.523 -3.100 1.00 55.40 C ATOM 462 CG2 ILE A 27 -5.585 -3.839 -1.026 1.00 4.34 C ATOM 463 CD1 ILE A 27 -5.506 -3.522 -4.072 1.00 74.14 C ATOM 0 H ILE A 27 -8.637 -2.595 -3.276 1.00 34.51 H new ATOM 0 HA ILE A 27 -7.318 -4.988 -2.802 1.00 54.23 H new ATOM 0 HB ILE A 27 -7.128 -2.383 -1.232 1.00 53.33 H new ATOM 0 HG12 ILE A 27 -6.873 -1.953 -3.604 1.00 55.40 H new ATOM 0 HG13 ILE A 27 -5.317 -1.814 -2.809 1.00 55.40 H new ATOM 0 HG21 ILE A 27 -4.821 -3.106 -0.766 1.00 4.34 H new ATOM 0 HG22 ILE A 27 -6.014 -4.254 -0.114 1.00 4.34 H new ATOM 0 HG23 ILE A 27 -5.135 -4.640 -1.612 1.00 4.34 H new ATOM 0 HD11 ILE A 27 -5.109 -2.995 -4.940 1.00 74.14 H new ATOM 0 HD12 ILE A 27 -4.703 -4.075 -3.585 1.00 74.14 H new ATOM 0 HD13 ILE A 27 -6.283 -4.216 -4.392 1.00 74.14 H new ATOM 475 N GLY A 28 -9.122 -3.937 -0.221 1.00 42.03 N ATOM 476 CA GLY A 28 -9.745 -4.385 1.010 1.00 30.22 C ATOM 477 C GLY A 28 -10.683 -5.556 0.793 1.00 52.25 C ATOM 478 O GLY A 28 -11.014 -6.277 1.733 1.00 10.34 O ATOM 0 H GLY A 28 -9.309 -2.965 -0.467 1.00 42.03 H new ATOM 0 HA2 GLY A 28 -8.971 -4.671 1.722 1.00 30.22 H new ATOM 0 HA3 GLY A 28 -10.298 -3.558 1.455 1.00 30.22 H new ATOM 482 N GLN A 29 -11.114 -5.744 -0.451 1.00 4.12 N ATOM 483 CA GLN A 29 -12.021 -6.834 -0.788 1.00 34.14 C ATOM 484 C GLN A 29 -11.250 -8.121 -1.059 1.00 24.23 C ATOM 485 O GLN A 29 -11.761 -9.220 -0.848 1.00 14.11 O ATOM 486 CB GLN A 29 -12.865 -6.464 -2.009 1.00 30.51 C ATOM 487 CG GLN A 29 -13.681 -7.624 -2.558 1.00 41.42 C ATOM 488 CD GLN A 29 -14.703 -8.141 -1.565 1.00 5.33 C ATOM 489 OE1 GLN A 29 -14.437 -9.081 -0.816 1.00 25.31 O ATOM 490 NE2 GLN A 29 -15.880 -7.527 -1.553 1.00 31.14 N ATOM 0 H GLN A 29 -10.849 -5.156 -1.241 1.00 4.12 H new ATOM 0 HA GLN A 29 -12.680 -7.000 0.064 1.00 34.14 H new ATOM 0 HB2 GLN A 29 -13.539 -5.651 -1.741 1.00 30.51 H new ATOM 0 HB3 GLN A 29 -12.209 -6.089 -2.794 1.00 30.51 H new ATOM 0 HG2 GLN A 29 -14.192 -7.306 -3.467 1.00 41.42 H new ATOM 0 HG3 GLN A 29 -13.009 -8.435 -2.838 1.00 41.42 H new ATOM 0 HE21 GLN A 29 -16.057 -6.752 -2.192 1.00 31.14 H new ATOM 0 HE22 GLN A 29 -16.607 -7.830 -0.905 1.00 31.14 H new ATOM 499 N GLY A 30 -10.014 -7.977 -1.528 1.00 61.02 N ATOM 500 CA GLY A 30 -9.192 -9.136 -1.821 1.00 24.40 C ATOM 501 C GLY A 30 -9.072 -9.401 -3.309 1.00 22.44 C ATOM 502 O GLY A 30 -8.891 -10.544 -3.730 1.00 31.05 O ATOM 0 H GLY A 30 -9.568 -7.078 -1.710 1.00 61.02 H new ATOM 0 HA2 GLY A 30 -8.197 -8.988 -1.400 1.00 24.40 H new ATOM 0 HA3 GLY A 30 -9.618 -10.012 -1.332 1.00 24.40 H new ATOM 506 N TRP A 31 -9.174 -8.344 -4.106 1.00 71.41 N ATOM 507 CA TRP A 31 -9.078 -8.469 -5.556 1.00 63.01 C ATOM 508 C TRP A 31 -7.622 -8.573 -5.998 1.00 11.20 C ATOM 509 O TRP A 31 -6.758 -7.851 -5.499 1.00 62.21 O ATOM 510 CB TRP A 31 -9.746 -7.274 -6.237 1.00 12.41 C ATOM 511 CG TRP A 31 -11.210 -7.475 -6.488 1.00 30.12 C ATOM 512 CD1 TRP A 31 -12.059 -8.282 -5.785 1.00 4.23 C ATOM 513 CD2 TRP A 31 -11.996 -6.861 -7.515 1.00 10.54 C ATOM 514 NE1 TRP A 31 -13.325 -8.206 -6.313 1.00 1.32 N ATOM 515 CE2 TRP A 31 -13.313 -7.340 -7.374 1.00 51.12 C ATOM 516 CE3 TRP A 31 -11.716 -5.951 -8.537 1.00 51.55 C ATOM 517 CZ2 TRP A 31 -14.345 -6.940 -8.219 1.00 44.24 C ATOM 518 CZ3 TRP A 31 -12.741 -5.555 -9.376 1.00 1.33 C ATOM 519 CH2 TRP A 31 -14.042 -6.048 -9.212 1.00 72.14 C ATOM 0 H TRP A 31 -9.323 -7.391 -3.773 1.00 71.41 H new ATOM 0 HA TRP A 31 -9.594 -9.382 -5.852 1.00 63.01 H new ATOM 0 HB2 TRP A 31 -9.609 -6.388 -5.617 1.00 12.41 H new ATOM 0 HB3 TRP A 31 -9.246 -7.079 -7.185 1.00 12.41 H new ATOM 0 HD1 TRP A 31 -11.776 -8.890 -4.939 1.00 4.23 H new ATOM 0 HE1 TRP A 31 -14.141 -8.712 -5.970 1.00 1.32 H new ATOM 0 HE3 TRP A 31 -10.717 -5.564 -8.669 1.00 51.55 H new ATOM 0 HZ2 TRP A 31 -15.348 -7.320 -8.095 1.00 44.24 H new ATOM 0 HZ3 TRP A 31 -12.535 -4.854 -10.171 1.00 1.33 H new ATOM 0 HH2 TRP A 31 -14.822 -5.718 -9.883 1.00 72.14 H new ATOM 530 N THR A 32 -7.356 -9.475 -6.937 1.00 70.14 N ATOM 531 CA THR A 32 -6.005 -9.674 -7.446 1.00 4.44 C ATOM 532 C THR A 32 -5.502 -8.430 -8.170 1.00 65.42 C ATOM 533 O THR A 32 -6.271 -7.512 -8.454 1.00 73.23 O ATOM 534 CB THR A 32 -5.936 -10.876 -8.406 1.00 34.33 C ATOM 535 OG1 THR A 32 -6.569 -10.548 -9.648 1.00 24.02 O ATOM 536 CG2 THR A 32 -6.610 -12.095 -7.794 1.00 73.55 C ATOM 0 H THR A 32 -8.059 -10.080 -7.361 1.00 70.14 H new ATOM 0 HA THR A 32 -5.369 -9.872 -6.583 1.00 4.44 H new ATOM 0 HB THR A 32 -4.887 -11.111 -8.585 1.00 34.33 H new ATOM 0 HG1 THR A 32 -6.519 -11.317 -10.254 1.00 24.02 H new ATOM 0 HG21 THR A 32 -6.549 -12.932 -8.490 1.00 73.55 H new ATOM 0 HG22 THR A 32 -6.108 -12.359 -6.863 1.00 73.55 H new ATOM 0 HG23 THR A 32 -7.656 -11.868 -7.590 1.00 73.55 H new ATOM 544 N ILE A 33 -4.207 -8.408 -8.467 1.00 4.30 N ATOM 545 CA ILE A 33 -3.602 -7.277 -9.160 1.00 71.04 C ATOM 546 C ILE A 33 -4.120 -7.168 -10.590 1.00 75.24 C ATOM 547 O ILE A 33 -4.145 -6.083 -11.172 1.00 32.33 O ATOM 548 CB ILE A 33 -2.066 -7.391 -9.190 1.00 55.33 C ATOM 549 CG1 ILE A 33 -1.518 -7.557 -7.772 1.00 21.53 C ATOM 550 CG2 ILE A 33 -1.458 -6.167 -9.859 1.00 22.11 C ATOM 551 CD1 ILE A 33 -1.205 -8.992 -7.410 1.00 33.54 C ATOM 0 H ILE A 33 -3.557 -9.160 -8.239 1.00 4.30 H new ATOM 0 HA ILE A 33 -3.881 -6.381 -8.605 1.00 71.04 H new ATOM 0 HB ILE A 33 -1.792 -8.272 -9.770 1.00 55.33 H new ATOM 0 HG12 ILE A 33 -0.613 -6.959 -7.669 1.00 21.53 H new ATOM 0 HG13 ILE A 33 -2.244 -7.162 -7.062 1.00 21.53 H new ATOM 0 HG21 ILE A 33 -0.372 -6.262 -9.873 1.00 22.11 H new ATOM 0 HG22 ILE A 33 -1.829 -6.089 -10.881 1.00 22.11 H new ATOM 0 HG23 ILE A 33 -1.737 -5.272 -9.303 1.00 22.11 H new ATOM 0 HD11 ILE A 33 -0.821 -9.035 -6.391 1.00 33.54 H new ATOM 0 HD12 ILE A 33 -2.113 -9.591 -7.481 1.00 33.54 H new ATOM 0 HD13 ILE A 33 -0.456 -9.385 -8.097 1.00 33.54 H new ATOM 563 N ASP A 34 -4.535 -8.299 -11.151 1.00 13.21 N ATOM 564 CA ASP A 34 -5.057 -8.331 -12.512 1.00 43.15 C ATOM 565 C ASP A 34 -6.524 -7.916 -12.542 1.00 54.23 C ATOM 566 O ASP A 34 -7.019 -7.425 -13.556 1.00 52.15 O ATOM 567 CB ASP A 34 -4.897 -9.730 -13.110 1.00 12.13 C ATOM 568 CG ASP A 34 -3.476 -10.009 -13.558 1.00 72.40 C ATOM 569 OD1 ASP A 34 -2.781 -9.052 -13.958 1.00 24.11 O ATOM 570 OD2 ASP A 34 -3.059 -11.185 -13.508 1.00 73.32 O ATOM 0 H ASP A 34 -4.520 -9.206 -10.684 1.00 13.21 H new ATOM 0 HA ASP A 34 -4.486 -7.621 -13.110 1.00 43.15 H new ATOM 0 HB2 ASP A 34 -5.195 -10.474 -12.371 1.00 12.13 H new ATOM 0 HB3 ASP A 34 -5.571 -9.838 -13.960 1.00 12.13 H new ATOM 575 N GLN A 35 -7.214 -8.118 -11.424 1.00 40.22 N ATOM 576 CA GLN A 35 -8.625 -7.766 -11.324 1.00 14.13 C ATOM 577 C GLN A 35 -8.838 -6.282 -11.604 1.00 61.04 C ATOM 578 O GLN A 35 -9.720 -5.907 -12.377 1.00 15.11 O ATOM 579 CB GLN A 35 -9.163 -8.116 -9.935 1.00 25.40 C ATOM 580 CG GLN A 35 -9.492 -9.591 -9.764 1.00 51.44 C ATOM 581 CD GLN A 35 -10.876 -9.942 -10.273 1.00 14.32 C ATOM 582 OE1 GLN A 35 -11.688 -9.060 -10.557 1.00 61.44 O ATOM 583 NE2 GLN A 35 -11.154 -11.235 -10.390 1.00 61.01 N ATOM 0 H GLN A 35 -6.819 -8.523 -10.575 1.00 40.22 H new ATOM 0 HA GLN A 35 -9.170 -8.341 -12.073 1.00 14.13 H new ATOM 0 HB2 GLN A 35 -8.426 -7.827 -9.186 1.00 25.40 H new ATOM 0 HB3 GLN A 35 -10.060 -7.527 -9.743 1.00 25.40 H new ATOM 0 HG2 GLN A 35 -8.751 -10.189 -10.295 1.00 51.44 H new ATOM 0 HG3 GLN A 35 -9.419 -9.856 -8.709 1.00 51.44 H new ATOM 0 HE21 GLN A 35 -10.451 -11.932 -10.143 1.00 61.01 H new ATOM 0 HE22 GLN A 35 -12.070 -11.531 -10.726 1.00 61.01 H new ATOM 592 N ILE A 36 -8.024 -5.443 -10.972 1.00 72.04 N ATOM 593 CA ILE A 36 -8.123 -4.000 -11.155 1.00 72.32 C ATOM 594 C ILE A 36 -7.609 -3.584 -12.529 1.00 3.31 C ATOM 595 O ILE A 36 -8.293 -2.880 -13.271 1.00 70.22 O ATOM 596 CB ILE A 36 -7.335 -3.240 -10.072 1.00 72.21 C ATOM 597 CG1 ILE A 36 -7.855 -3.607 -8.681 1.00 24.35 C ATOM 598 CG2 ILE A 36 -7.433 -1.739 -10.301 1.00 71.31 C ATOM 599 CD1 ILE A 36 -7.120 -4.769 -8.048 1.00 41.34 C ATOM 0 H ILE A 36 -7.289 -5.737 -10.329 1.00 72.04 H new ATOM 0 HA ILE A 36 -9.179 -3.743 -11.072 1.00 72.32 H new ATOM 0 HB ILE A 36 -6.286 -3.530 -10.136 1.00 72.21 H new ATOM 0 HG12 ILE A 36 -7.772 -2.737 -8.030 1.00 24.35 H new ATOM 0 HG13 ILE A 36 -8.915 -3.853 -8.751 1.00 24.35 H new ATOM 0 HG21 ILE A 36 -6.871 -1.215 -9.528 1.00 71.31 H new ATOM 0 HG22 ILE A 36 -7.020 -1.492 -11.279 1.00 71.31 H new ATOM 0 HG23 ILE A 36 -8.478 -1.432 -10.261 1.00 71.31 H new ATOM 0 HD11 ILE A 36 -7.542 -4.974 -7.064 1.00 41.34 H new ATOM 0 HD12 ILE A 36 -7.224 -5.652 -8.678 1.00 41.34 H new ATOM 0 HD13 ILE A 36 -6.064 -4.519 -7.945 1.00 41.34 H new ATOM 611 N GLU A 37 -6.399 -4.025 -12.861 1.00 13.33 N ATOM 612 CA GLU A 37 -5.794 -3.698 -14.146 1.00 41.23 C ATOM 613 C GLU A 37 -6.741 -4.034 -15.295 1.00 0.52 C ATOM 614 O GLU A 37 -6.726 -3.381 -16.339 1.00 10.45 O ATOM 615 CB GLU A 37 -4.475 -4.454 -14.321 1.00 0.31 C ATOM 616 CG GLU A 37 -3.284 -3.753 -13.689 1.00 62.21 C ATOM 617 CD GLU A 37 -2.671 -2.707 -14.600 1.00 73.33 C ATOM 618 OE1 GLU A 37 -2.066 -3.093 -15.622 1.00 64.11 O ATOM 619 OE2 GLU A 37 -2.797 -1.504 -14.292 1.00 12.11 O ATOM 0 H GLU A 37 -5.820 -4.609 -12.258 1.00 13.33 H new ATOM 0 HA GLU A 37 -5.596 -2.626 -14.163 1.00 41.23 H new ATOM 0 HB2 GLU A 37 -4.575 -5.448 -13.885 1.00 0.31 H new ATOM 0 HB3 GLU A 37 -4.283 -4.591 -15.385 1.00 0.31 H new ATOM 0 HG2 GLU A 37 -3.598 -3.280 -12.758 1.00 62.21 H new ATOM 0 HG3 GLU A 37 -2.527 -4.493 -13.431 1.00 62.21 H new ATOM 626 N LYS A 38 -7.564 -5.057 -15.095 1.00 33.02 N ATOM 627 CA LYS A 38 -8.520 -5.481 -16.111 1.00 63.14 C ATOM 628 C LYS A 38 -9.873 -4.809 -15.900 1.00 63.25 C ATOM 629 O LYS A 38 -10.646 -4.640 -16.843 1.00 61.44 O ATOM 630 CB LYS A 38 -8.684 -7.002 -16.083 1.00 62.35 C ATOM 631 CG LYS A 38 -9.545 -7.542 -17.212 1.00 63.05 C ATOM 632 CD LYS A 38 -8.859 -7.386 -18.560 1.00 15.03 C ATOM 633 CE LYS A 38 -9.465 -8.312 -19.604 1.00 1.15 C ATOM 634 NZ LYS A 38 -10.896 -7.994 -19.864 1.00 52.50 N ATOM 0 H LYS A 38 -7.588 -5.609 -14.237 1.00 33.02 H new ATOM 0 HA LYS A 38 -8.134 -5.181 -17.085 1.00 63.14 H new ATOM 0 HB2 LYS A 38 -7.699 -7.466 -16.134 1.00 62.35 H new ATOM 0 HB3 LYS A 38 -9.125 -7.294 -15.130 1.00 62.35 H new ATOM 0 HG2 LYS A 38 -9.763 -8.595 -17.033 1.00 63.05 H new ATOM 0 HG3 LYS A 38 -10.500 -7.017 -17.226 1.00 63.05 H new ATOM 0 HD2 LYS A 38 -8.944 -6.352 -18.895 1.00 15.03 H new ATOM 0 HD3 LYS A 38 -7.795 -7.600 -18.455 1.00 15.03 H new ATOM 0 HE2 LYS A 38 -8.900 -8.231 -20.533 1.00 1.15 H new ATOM 0 HE3 LYS A 38 -9.378 -9.345 -19.267 1.00 1.15 H new ATOM 0 HZ1 LYS A 38 -11.244 -8.578 -20.651 1.00 52.50 H new ATOM 0 HZ2 LYS A 38 -11.456 -8.193 -19.011 1.00 52.50 H new ATOM 0 HZ3 LYS A 38 -10.989 -6.988 -20.112 1.00 52.50 H new ATOM 648 N TRP A 39 -10.151 -4.427 -14.659 1.00 71.34 N ATOM 649 CA TRP A 39 -11.411 -3.772 -14.326 1.00 21.20 C ATOM 650 C TRP A 39 -11.480 -2.379 -14.942 1.00 23.13 C ATOM 651 O TRP A 39 -12.538 -1.942 -15.395 1.00 50.53 O ATOM 652 CB TRP A 39 -11.576 -3.681 -12.808 1.00 61.11 C ATOM 653 CG TRP A 39 -12.785 -2.901 -12.388 1.00 21.43 C ATOM 654 CD1 TRP A 39 -14.009 -3.405 -12.051 1.00 62.31 C ATOM 655 CD2 TRP A 39 -12.886 -1.479 -12.261 1.00 40.14 C ATOM 656 NE1 TRP A 39 -14.865 -2.382 -11.723 1.00 43.42 N ATOM 657 CE2 TRP A 39 -14.200 -1.190 -11.843 1.00 62.13 C ATOM 658 CE3 TRP A 39 -11.994 -0.421 -12.459 1.00 32.24 C ATOM 659 CZ2 TRP A 39 -14.641 0.112 -11.621 1.00 63.22 C ATOM 660 CZ3 TRP A 39 -12.433 0.870 -12.238 1.00 54.31 C ATOM 661 CH2 TRP A 39 -13.746 1.128 -11.822 1.00 75.02 C ATOM 0 H TRP A 39 -9.522 -4.559 -13.867 1.00 71.34 H new ATOM 0 HA TRP A 39 -12.223 -4.371 -14.738 1.00 21.20 H new ATOM 0 HB2 TRP A 39 -11.641 -4.688 -12.396 1.00 61.11 H new ATOM 0 HB3 TRP A 39 -10.687 -3.218 -12.380 1.00 61.11 H new ATOM 0 HD1 TRP A 39 -14.266 -4.454 -12.044 1.00 62.31 H new ATOM 0 HE1 TRP A 39 -15.838 -2.492 -11.437 1.00 43.42 H new ATOM 0 HE3 TRP A 39 -10.980 -0.610 -12.779 1.00 32.24 H new ATOM 0 HZ2 TRP A 39 -15.653 0.313 -11.302 1.00 63.22 H new ATOM 0 HZ3 TRP A 39 -11.752 1.695 -12.388 1.00 54.31 H new ATOM 0 HH2 TRP A 39 -14.058 2.149 -11.657 1.00 75.02 H new ATOM 672 N LEU A 40 -10.346 -1.686 -14.955 1.00 73.31 N ATOM 673 CA LEU A 40 -10.278 -0.341 -15.516 1.00 72.42 C ATOM 674 C LEU A 40 -10.726 -0.336 -16.974 1.00 74.42 C ATOM 675 O LEU A 40 -11.580 0.458 -17.370 1.00 61.22 O ATOM 676 CB LEU A 40 -8.854 0.207 -15.407 1.00 33.34 C ATOM 677 CG LEU A 40 -8.729 1.664 -14.962 1.00 4.32 C ATOM 678 CD1 LEU A 40 -9.597 2.563 -15.828 1.00 12.42 C ATOM 679 CD2 LEU A 40 -9.105 1.809 -13.494 1.00 73.55 C ATOM 0 H LEU A 40 -9.462 -2.033 -14.584 1.00 73.31 H new ATOM 0 HA LEU A 40 -10.952 0.298 -14.945 1.00 72.42 H new ATOM 0 HB2 LEU A 40 -8.299 -0.415 -14.705 1.00 33.34 H new ATOM 0 HB3 LEU A 40 -8.370 0.102 -16.378 1.00 33.34 H new ATOM 0 HG LEU A 40 -7.690 1.972 -15.082 1.00 4.32 H new ATOM 0 HD11 LEU A 40 -9.495 3.596 -15.496 1.00 12.42 H new ATOM 0 HD12 LEU A 40 -9.280 2.483 -16.868 1.00 12.42 H new ATOM 0 HD13 LEU A 40 -10.639 2.255 -15.742 1.00 12.42 H new ATOM 0 HD21 LEU A 40 -9.010 2.853 -13.195 1.00 73.55 H new ATOM 0 HD22 LEU A 40 -10.135 1.482 -13.348 1.00 73.55 H new ATOM 0 HD23 LEU A 40 -8.440 1.196 -12.886 1.00 73.55 H new ATOM 691 N LYS A 41 -10.147 -1.230 -17.769 1.00 43.50 N ATOM 692 CA LYS A 41 -10.488 -1.332 -19.183 1.00 1.31 C ATOM 693 C LYS A 41 -11.671 -2.271 -19.391 1.00 33.54 C ATOM 694 O LYS A 41 -11.611 -3.188 -20.210 1.00 74.21 O ATOM 695 CB LYS A 41 -9.283 -1.827 -19.985 1.00 65.30 C ATOM 696 CG LYS A 41 -8.219 -0.765 -20.204 1.00 30.13 C ATOM 697 CD LYS A 41 -8.575 0.150 -21.363 1.00 51.12 C ATOM 698 CE LYS A 41 -8.037 -0.385 -22.681 1.00 43.13 C ATOM 699 NZ LYS A 41 -8.996 -1.318 -23.334 1.00 62.24 N ATOM 0 H LYS A 41 -9.439 -1.895 -17.457 1.00 43.50 H new ATOM 0 HA LYS A 41 -10.768 -0.340 -19.536 1.00 1.31 H new ATOM 0 HB2 LYS A 41 -8.836 -2.675 -19.467 1.00 65.30 H new ATOM 0 HB3 LYS A 41 -9.626 -2.190 -20.954 1.00 65.30 H new ATOM 0 HG2 LYS A 41 -8.101 -0.174 -19.296 1.00 30.13 H new ATOM 0 HG3 LYS A 41 -7.260 -1.244 -20.399 1.00 30.13 H new ATOM 0 HD2 LYS A 41 -9.658 0.254 -21.426 1.00 51.12 H new ATOM 0 HD3 LYS A 41 -8.169 1.145 -21.180 1.00 51.12 H new ATOM 0 HE2 LYS A 41 -7.827 0.448 -23.352 1.00 43.13 H new ATOM 0 HE3 LYS A 41 -7.092 -0.900 -22.505 1.00 43.13 H new ATOM 0 HZ1 LYS A 41 -8.966 -1.182 -24.365 1.00 62.24 H new ATOM 0 HZ2 LYS A 41 -8.735 -2.299 -23.107 1.00 62.24 H new ATOM 0 HZ3 LYS A 41 -9.958 -1.126 -22.988 1.00 62.24 H new ATOM 713 N ARG A 42 -12.746 -2.037 -18.644 1.00 43.54 N ATOM 714 CA ARG A 42 -13.943 -2.862 -18.748 1.00 22.25 C ATOM 715 C ARG A 42 -15.194 -1.995 -18.853 1.00 61.00 C ATOM 716 O ARG A 42 -16.086 -2.269 -19.656 1.00 73.31 O ATOM 717 CB ARG A 42 -14.054 -3.791 -17.537 1.00 5.22 C ATOM 718 CG ARG A 42 -14.816 -5.075 -17.822 1.00 4.44 C ATOM 719 CD ARG A 42 -16.318 -4.864 -17.723 1.00 34.15 C ATOM 720 NE ARG A 42 -17.047 -6.129 -17.682 1.00 22.25 N ATOM 721 CZ ARG A 42 -18.365 -6.223 -17.820 1.00 24.31 C ATOM 722 NH1 ARG A 42 -19.094 -5.132 -18.008 1.00 34.43 N ATOM 723 NH2 ARG A 42 -18.955 -7.411 -17.771 1.00 41.31 N ATOM 0 H ARG A 42 -12.812 -1.283 -17.960 1.00 43.54 H new ATOM 0 HA ARG A 42 -13.862 -3.463 -19.653 1.00 22.25 H new ATOM 0 HB2 ARG A 42 -13.052 -4.043 -17.190 1.00 5.22 H new ATOM 0 HB3 ARG A 42 -14.548 -3.258 -16.725 1.00 5.22 H new ATOM 0 HG2 ARG A 42 -14.563 -5.436 -18.819 1.00 4.44 H new ATOM 0 HG3 ARG A 42 -14.508 -5.846 -17.116 1.00 4.44 H new ATOM 0 HD2 ARG A 42 -16.545 -4.286 -16.827 1.00 34.15 H new ATOM 0 HD3 ARG A 42 -16.659 -4.277 -18.576 1.00 34.15 H new ATOM 0 HE ARG A 42 -16.515 -6.987 -17.540 1.00 22.25 H new ATOM 0 HH11 ARG A 42 -18.643 -4.218 -18.047 1.00 34.43 H new ATOM 0 HH12 ARG A 42 -20.106 -5.207 -18.114 1.00 34.43 H new ATOM 0 HH21 ARG A 42 -18.396 -8.252 -17.627 1.00 41.31 H new ATOM 0 HH22 ARG A 42 -19.967 -7.483 -17.877 1.00 41.31 H new ATOM 737 N HIS A 43 -15.252 -0.948 -18.036 1.00 54.24 N ATOM 738 CA HIS A 43 -16.394 -0.040 -18.038 1.00 32.11 C ATOM 739 C HIS A 43 -16.209 1.064 -19.074 1.00 40.32 C ATOM 740 O HIS A 43 -17.174 1.705 -19.491 1.00 52.42 O ATOM 741 CB HIS A 43 -16.587 0.573 -16.651 1.00 3.43 C ATOM 742 CG HIS A 43 -17.878 1.318 -16.499 1.00 25.43 C ATOM 743 ND1 HIS A 43 -19.026 0.738 -16.003 1.00 54.20 N ATOM 744 CD2 HIS A 43 -18.197 2.603 -16.779 1.00 23.21 C ATOM 745 CE1 HIS A 43 -19.997 1.634 -15.986 1.00 40.35 C ATOM 746 NE2 HIS A 43 -19.519 2.774 -16.452 1.00 14.41 N ATOM 0 H HIS A 43 -14.523 -0.707 -17.365 1.00 54.24 H new ATOM 0 HA HIS A 43 -17.283 -0.614 -18.300 1.00 32.11 H new ATOM 0 HB2 HIS A 43 -16.544 -0.219 -15.904 1.00 3.43 H new ATOM 0 HB3 HIS A 43 -15.759 1.251 -16.444 1.00 3.43 H new ATOM 0 HD2 HIS A 43 -17.535 3.354 -17.184 1.00 23.21 H new ATOM 0 HE1 HIS A 43 -21.009 1.463 -15.649 1.00 40.35 H new ATOM 0 HE2 HIS A 43 -20.047 3.641 -16.553 1.00 14.41 H new TER 754 HIS A 43