USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.00415) USER MOD Single : A 2 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.76) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -130:sc= 1.16 USER MOD Single : A 33 MET CE :methyl -123:sc= -9.62! (180deg=-19.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : B 1 ALA N :NH3+ -126:sc= -7.04! (180deg=-12.2!) USER MOD Single : B 2 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.1) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -173:sc= -2.07! (180deg=-2.43!) USER MOD Single : B 14 GLN : amide:sc= -2.24 K(o=-2.2,f=-5.5!) USER MOD Single : B 17 LYS NZ :NH3+ -119:sc= -0.248 (180deg=-2.22!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -104:sc= -17.5! (180deg=-25.3!) USER MOD Single : B 35 LYS NZ :NH3+ 149:sc= 0.121 (180deg=0.000502) USER MOD Single : B 36 GLN :FLIP amide:sc= -8.31! C(o=-11!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.892 0.430 -0.015 1.00 71.12 N ATOM 2 CA ALA A 1 1.693 0.361 -1.225 1.00 23.34 C ATOM 3 C ALA A 1 2.865 1.339 -1.112 1.00 34.41 C ATOM 4 O ALA A 1 4.022 0.945 -1.245 1.00 42.15 O ATOM 5 CB ALA A 1 0.810 0.647 -2.440 1.00 52.24 C ATOM 0 H1 ALA A 1 0.114 -0.258 -0.074 1.00 71.12 H new ATOM 0 H2 ALA A 1 1.487 0.209 0.809 1.00 71.12 H new ATOM 0 H3 ALA A 1 0.500 1.388 0.088 1.00 71.12 H new ATOM 0 HA ALA A 1 2.109 -0.638 -1.353 1.00 23.34 H new ATOM 0 HB1 ALA A 1 1.412 0.595 -3.347 1.00 52.24 H new ATOM 0 HB2 ALA A 1 0.011 -0.093 -2.491 1.00 52.24 H new ATOM 0 HB3 ALA A 1 0.377 1.643 -2.349 1.00 52.24 H new ATOM 11 N ASN A 2 2.523 2.596 -0.868 1.00 72.03 N ATOM 12 CA ASN A 2 3.532 3.633 -0.736 1.00 53.42 C ATOM 13 C ASN A 2 4.051 4.013 -2.124 1.00 63.02 C ATOM 14 O ASN A 2 4.556 3.163 -2.855 1.00 63.24 O ATOM 15 CB ASN A 2 4.719 3.144 0.096 1.00 64.21 C ATOM 16 CG ASN A 2 4.244 2.404 1.347 1.00 24.50 C ATOM 17 OD1 ASN A 2 3.347 2.835 2.052 1.00 21.42 O ATOM 18 ND2 ASN A 2 4.894 1.267 1.583 1.00 71.41 N ATOM 0 H ASN A 2 1.562 2.919 -0.758 1.00 72.03 H new ATOM 0 HA ASN A 2 3.073 4.489 -0.241 1.00 53.42 H new ATOM 0 HB2 ASN A 2 5.343 2.484 -0.507 1.00 64.21 H new ATOM 0 HB3 ASN A 2 5.339 3.992 0.385 1.00 64.21 H new ATOM 0 HD21 ASN A 2 4.650 0.699 2.395 1.00 71.41 H new ATOM 0 HD22 ASN A 2 5.636 0.963 0.952 1.00 71.41 H new ATOM 25 N GLU A 3 3.910 5.290 -2.444 1.00 12.54 N ATOM 26 CA GLU A 3 4.358 5.794 -3.732 1.00 1.02 C ATOM 27 C GLU A 3 5.792 5.336 -4.010 1.00 33.11 C ATOM 28 O GLU A 3 6.609 5.251 -3.095 1.00 13.51 O ATOM 29 CB GLU A 3 4.249 7.319 -3.793 1.00 32.40 C ATOM 30 CG GLU A 3 4.826 7.857 -5.103 1.00 11.53 C ATOM 31 CD GLU A 3 5.160 9.346 -4.984 1.00 35.20 C ATOM 32 OE1 GLU A 3 5.330 9.856 -3.867 1.00 70.30 O ATOM 33 OE2 GLU A 3 5.239 9.978 -6.105 1.00 64.04 O ATOM 0 H GLU A 3 3.492 5.992 -1.834 1.00 12.54 H new ATOM 0 HA GLU A 3 3.709 5.385 -4.506 1.00 1.02 H new ATOM 0 HB2 GLU A 3 3.204 7.617 -3.702 1.00 32.40 H new ATOM 0 HB3 GLU A 3 4.780 7.759 -2.949 1.00 32.40 H new ATOM 0 HG2 GLU A 3 5.725 7.299 -5.365 1.00 11.53 H new ATOM 0 HG3 GLU A 3 4.109 7.705 -5.910 1.00 11.53 H new ATOM 40 N GLY A 4 6.053 5.052 -5.278 1.00 54.41 N ATOM 41 CA GLY A 4 7.373 4.605 -5.688 1.00 73.11 C ATOM 42 C GLY A 4 7.464 3.078 -5.670 1.00 31.33 C ATOM 43 O GLY A 4 8.529 2.514 -5.913 1.00 64.24 O ATOM 0 H GLY A 4 5.373 5.123 -6.035 1.00 54.41 H new ATOM 0 HA2 GLY A 4 7.591 4.974 -6.690 1.00 73.11 H new ATOM 0 HA3 GLY A 4 8.127 5.026 -5.022 1.00 73.11 H new ATOM 47 N ASP A 5 6.333 2.452 -5.380 1.00 32.24 N ATOM 48 CA ASP A 5 6.272 1.001 -5.326 1.00 52.13 C ATOM 49 C ASP A 5 5.756 0.467 -6.663 1.00 53.54 C ATOM 50 O ASP A 5 5.000 1.147 -7.358 1.00 20.42 O ATOM 51 CB ASP A 5 5.317 0.530 -4.229 1.00 31.15 C ATOM 52 CG ASP A 5 5.959 0.331 -2.854 1.00 53.10 C ATOM 53 OD1 ASP A 5 6.763 1.159 -2.399 1.00 60.54 O ATOM 54 OD2 ASP A 5 5.596 -0.740 -2.233 1.00 23.21 O ATOM 0 H ASP A 5 5.451 2.923 -5.180 1.00 32.24 H new ATOM 0 HA ASP A 5 7.275 0.629 -5.115 1.00 52.13 H new ATOM 0 HB2 ASP A 5 4.510 1.256 -4.135 1.00 31.15 H new ATOM 0 HB3 ASP A 5 4.864 -0.411 -4.542 1.00 31.15 H new ATOM 59 N VAL A 6 6.184 -0.744 -6.986 1.00 74.22 N ATOM 60 CA VAL A 6 5.774 -1.377 -8.229 1.00 2.25 C ATOM 61 C VAL A 6 4.973 -2.642 -7.912 1.00 12.32 C ATOM 62 O VAL A 6 5.251 -3.327 -6.928 1.00 54.40 O ATOM 63 CB VAL A 6 6.997 -1.649 -9.106 1.00 1.54 C ATOM 64 CG1 VAL A 6 6.734 -2.806 -10.070 1.00 53.24 C ATOM 65 CG2 VAL A 6 7.419 -0.388 -9.864 1.00 2.12 C ATOM 0 H VAL A 6 6.811 -1.305 -6.409 1.00 74.22 H new ATOM 0 HA VAL A 6 5.123 -0.714 -8.799 1.00 2.25 H new ATOM 0 HB VAL A 6 7.820 -1.939 -8.453 1.00 1.54 H new ATOM 0 HG11 VAL A 6 7.620 -2.978 -10.682 1.00 53.24 H new ATOM 0 HG12 VAL A 6 6.504 -3.708 -9.502 1.00 53.24 H new ATOM 0 HG13 VAL A 6 5.891 -2.558 -10.714 1.00 53.24 H new ATOM 0 HG21 VAL A 6 8.291 -0.608 -10.480 1.00 2.12 H new ATOM 0 HG22 VAL A 6 6.599 -0.055 -10.501 1.00 2.12 H new ATOM 0 HG23 VAL A 6 7.668 0.399 -9.152 1.00 2.12 H new ATOM 75 N TYR A 7 3.994 -2.912 -8.762 1.00 45.24 N ATOM 76 CA TYR A 7 3.151 -4.082 -8.586 1.00 24.15 C ATOM 77 C TYR A 7 3.034 -4.876 -9.889 1.00 21.43 C ATOM 78 O TYR A 7 2.684 -4.320 -10.929 1.00 74.40 O ATOM 79 CB TYR A 7 1.769 -3.551 -8.200 1.00 73.23 C ATOM 80 CG TYR A 7 1.538 -3.455 -6.691 1.00 32.41 C ATOM 81 CD1 TYR A 7 2.266 -2.557 -5.937 1.00 74.10 C ATOM 82 CD2 TYR A 7 0.601 -4.267 -6.083 1.00 45.44 C ATOM 83 CE1 TYR A 7 2.048 -2.467 -4.517 1.00 54.40 C ATOM 84 CE2 TYR A 7 0.383 -4.176 -4.662 1.00 64.04 C ATOM 85 CZ TYR A 7 1.118 -3.281 -3.949 1.00 60.21 C ATOM 86 OH TYR A 7 0.912 -3.195 -2.607 1.00 64.35 O ATOM 0 H TYR A 7 3.765 -2.340 -9.575 1.00 45.24 H new ATOM 0 HA TYR A 7 3.570 -4.747 -7.830 1.00 24.15 H new ATOM 0 HB2 TYR A 7 1.634 -2.563 -8.641 1.00 73.23 H new ATOM 0 HB3 TYR A 7 1.008 -4.200 -8.633 1.00 73.23 H new ATOM 0 HD1 TYR A 7 2.999 -1.922 -6.412 1.00 74.10 H new ATOM 0 HD2 TYR A 7 0.032 -4.970 -6.673 1.00 45.44 H new ATOM 0 HE1 TYR A 7 2.611 -1.768 -3.916 1.00 54.40 H new ATOM 0 HE2 TYR A 7 -0.347 -4.804 -4.174 1.00 64.04 H new ATOM 0 HH TYR A 7 0.219 -3.835 -2.341 1.00 64.35 H new ATOM 96 N LYS A 8 3.335 -6.162 -9.789 1.00 62.44 N ATOM 97 CA LYS A 8 3.268 -7.039 -10.947 1.00 3.20 C ATOM 98 C LYS A 8 2.111 -8.024 -10.769 1.00 25.12 C ATOM 99 O LYS A 8 1.900 -8.547 -9.676 1.00 31.43 O ATOM 100 CB LYS A 8 4.621 -7.713 -11.187 1.00 33.34 C ATOM 101 CG LYS A 8 4.738 -8.206 -12.630 1.00 25.41 C ATOM 102 CD LYS A 8 6.123 -8.801 -12.895 1.00 24.21 C ATOM 103 CE LYS A 8 6.162 -9.521 -14.244 1.00 33.42 C ATOM 104 NZ LYS A 8 7.312 -10.450 -14.302 1.00 71.44 N ATOM 0 H LYS A 8 3.626 -6.618 -8.924 1.00 62.44 H new ATOM 0 HA LYS A 8 3.060 -6.464 -11.850 1.00 3.20 H new ATOM 0 HB2 LYS A 8 5.425 -7.009 -10.973 1.00 33.34 H new ATOM 0 HB3 LYS A 8 4.740 -8.552 -10.501 1.00 33.34 H new ATOM 0 HG2 LYS A 8 3.972 -8.957 -12.825 1.00 25.41 H new ATOM 0 HG3 LYS A 8 4.556 -7.379 -13.317 1.00 25.41 H new ATOM 0 HD2 LYS A 8 6.872 -8.009 -12.880 1.00 24.21 H new ATOM 0 HD3 LYS A 8 6.381 -9.499 -12.099 1.00 24.21 H new ATOM 0 HE2 LYS A 8 5.234 -10.072 -14.396 1.00 33.42 H new ATOM 0 HE3 LYS A 8 6.235 -8.791 -15.050 1.00 33.42 H new ATOM 0 HZ1 LYS A 8 7.324 -10.931 -15.224 1.00 71.44 H new ATOM 0 HZ2 LYS A 8 8.196 -9.916 -14.178 1.00 71.44 H new ATOM 0 HZ3 LYS A 8 7.226 -11.157 -13.544 1.00 71.44 H new ATOM 117 N CYS A 9 1.394 -8.248 -11.859 1.00 64.35 N ATOM 118 CA CYS A 9 0.265 -9.162 -11.838 1.00 11.22 C ATOM 119 C CYS A 9 0.771 -10.542 -11.414 1.00 51.51 C ATOM 120 O CYS A 9 0.029 -11.325 -10.823 1.00 3.22 O ATOM 121 CB CYS A 9 -0.452 -9.207 -13.189 1.00 33.31 C ATOM 122 SG CYS A 9 -1.895 -10.335 -13.255 1.00 42.13 S ATOM 0 H CYS A 9 1.573 -7.812 -12.764 1.00 64.35 H new ATOM 0 HA CYS A 9 -0.476 -8.812 -11.119 1.00 11.22 H new ATOM 0 HB2 CYS A 9 -0.784 -8.200 -13.442 1.00 33.31 H new ATOM 0 HB3 CYS A 9 0.263 -9.509 -13.954 1.00 33.31 H new ATOM 127 N GLU A 10 2.032 -10.797 -11.732 1.00 33.41 N ATOM 128 CA GLU A 10 2.647 -12.069 -11.391 1.00 74.52 C ATOM 129 C GLU A 10 1.986 -13.205 -12.176 1.00 51.31 C ATOM 130 O GLU A 10 2.274 -14.377 -11.940 1.00 23.33 O ATOM 131 CB GLU A 10 2.572 -12.329 -9.886 1.00 15.22 C ATOM 132 CG GLU A 10 3.644 -11.533 -9.139 1.00 13.42 C ATOM 133 CD GLU A 10 5.000 -12.238 -9.209 1.00 1.01 C ATOM 134 OE1 GLU A 10 5.276 -13.134 -8.396 1.00 53.51 O ATOM 135 OE2 GLU A 10 5.780 -11.827 -10.150 1.00 64.32 O ATOM 0 H GLU A 10 2.644 -10.145 -12.222 1.00 33.41 H new ATOM 0 HA GLU A 10 3.701 -12.026 -11.667 1.00 74.52 H new ATOM 0 HB2 GLU A 10 1.585 -12.054 -9.514 1.00 15.22 H new ATOM 0 HB3 GLU A 10 2.701 -13.393 -9.690 1.00 15.22 H new ATOM 0 HG2 GLU A 10 3.727 -10.535 -9.569 1.00 13.42 H new ATOM 0 HG3 GLU A 10 3.349 -11.408 -8.097 1.00 13.42 H new ATOM 142 N LEU A 11 1.114 -12.817 -13.095 1.00 31.13 N ATOM 143 CA LEU A 11 0.410 -13.788 -13.916 1.00 65.43 C ATOM 144 C LEU A 11 0.634 -13.458 -15.393 1.00 50.45 C ATOM 145 O LEU A 11 1.528 -14.014 -16.029 1.00 42.21 O ATOM 146 CB LEU A 11 -1.065 -13.858 -13.518 1.00 64.31 C ATOM 147 CG LEU A 11 -1.375 -14.612 -12.223 1.00 33.31 C ATOM 148 CD1 LEU A 11 -2.884 -14.686 -11.980 1.00 43.44 C ATOM 149 CD2 LEU A 11 -0.728 -15.998 -12.227 1.00 24.11 C ATOM 0 H LEU A 11 0.879 -11.844 -13.289 1.00 31.13 H new ATOM 0 HA LEU A 11 0.808 -14.789 -13.748 1.00 65.43 H new ATOM 0 HB2 LEU A 11 -1.444 -12.840 -13.422 1.00 64.31 H new ATOM 0 HB3 LEU A 11 -1.618 -14.329 -14.331 1.00 64.31 H new ATOM 0 HG LEU A 11 -0.941 -14.056 -11.392 1.00 33.31 H new ATOM 0 HD11 LEU A 11 -3.077 -15.227 -11.054 1.00 43.44 H new ATOM 0 HD12 LEU A 11 -3.290 -13.677 -11.903 1.00 43.44 H new ATOM 0 HD13 LEU A 11 -3.361 -15.207 -12.810 1.00 43.44 H new ATOM 0 HD21 LEU A 11 -0.964 -16.512 -11.295 1.00 24.11 H new ATOM 0 HD22 LEU A 11 -1.111 -16.576 -13.068 1.00 24.11 H new ATOM 0 HD23 LEU A 11 0.353 -15.895 -12.321 1.00 24.11 H new ATOM 161 N CYS A 12 -0.195 -12.554 -15.897 1.00 5.01 N ATOM 162 CA CYS A 12 -0.098 -12.143 -17.287 1.00 75.31 C ATOM 163 C CYS A 12 1.311 -11.602 -17.531 1.00 5.40 C ATOM 164 O CYS A 12 1.906 -11.858 -18.578 1.00 30.34 O ATOM 165 CB CYS A 12 -1.174 -11.117 -17.649 1.00 72.12 C ATOM 166 SG CYS A 12 -1.166 -9.602 -16.624 1.00 12.33 S ATOM 0 H CYS A 12 -0.936 -12.095 -15.367 1.00 5.01 H new ATOM 0 HA CYS A 12 -0.273 -13.001 -17.936 1.00 75.31 H new ATOM 0 HB2 CYS A 12 -1.048 -10.833 -18.694 1.00 72.12 H new ATOM 0 HB3 CYS A 12 -2.152 -11.591 -17.564 1.00 72.12 H new ATOM 171 N GLY A 13 1.805 -10.862 -16.549 1.00 64.01 N ATOM 172 CA GLY A 13 3.135 -10.283 -16.644 1.00 53.33 C ATOM 173 C GLY A 13 3.060 -8.760 -16.775 1.00 24.10 C ATOM 174 O GLY A 13 3.937 -8.141 -17.377 1.00 33.24 O ATOM 0 H GLY A 13 1.308 -10.650 -15.684 1.00 64.01 H new ATOM 0 HA2 GLY A 13 3.715 -10.548 -15.760 1.00 53.33 H new ATOM 0 HA3 GLY A 13 3.657 -10.701 -17.505 1.00 53.33 H new ATOM 178 N GLN A 14 2.006 -8.199 -16.202 1.00 33.42 N ATOM 179 CA GLN A 14 1.805 -6.761 -16.247 1.00 22.44 C ATOM 180 C GLN A 14 2.512 -6.090 -15.067 1.00 23.11 C ATOM 181 O GLN A 14 2.372 -6.525 -13.925 1.00 0.12 O ATOM 182 CB GLN A 14 0.315 -6.415 -16.260 1.00 71.31 C ATOM 183 CG GLN A 14 0.104 -4.901 -16.206 1.00 34.33 C ATOM 184 CD GLN A 14 -1.114 -4.487 -17.036 1.00 2.13 C ATOM 185 OE1 GLN A 14 -1.001 -3.922 -18.111 1.00 14.15 O ATOM 186 NE2 GLN A 14 -2.281 -4.800 -16.479 1.00 63.31 N ATOM 0 H GLN A 14 1.281 -8.715 -15.703 1.00 33.42 H new ATOM 0 HA GLN A 14 2.240 -6.382 -17.172 1.00 22.44 H new ATOM 0 HB2 GLN A 14 -0.148 -6.819 -17.161 1.00 71.31 H new ATOM 0 HB3 GLN A 14 -0.179 -6.885 -15.410 1.00 71.31 H new ATOM 0 HG2 GLN A 14 -0.032 -4.586 -15.171 1.00 34.33 H new ATOM 0 HG3 GLN A 14 0.993 -4.393 -16.580 1.00 34.33 H new ATOM 0 HE21 GLN A 14 -2.304 -5.273 -15.576 1.00 63.31 H new ATOM 0 HE22 GLN A 14 -3.152 -4.567 -16.955 1.00 63.31 H new ATOM 195 N VAL A 15 3.258 -5.041 -15.385 1.00 42.11 N ATOM 196 CA VAL A 15 3.988 -4.306 -14.366 1.00 32.04 C ATOM 197 C VAL A 15 3.511 -2.852 -14.354 1.00 45.13 C ATOM 198 O VAL A 15 3.470 -2.199 -15.396 1.00 73.50 O ATOM 199 CB VAL A 15 5.493 -4.441 -14.601 1.00 3.42 C ATOM 200 CG1 VAL A 15 6.284 -3.664 -13.546 1.00 61.21 C ATOM 201 CG2 VAL A 15 5.914 -5.911 -14.631 1.00 24.24 C ATOM 0 H VAL A 15 3.372 -4.683 -16.333 1.00 42.11 H new ATOM 0 HA VAL A 15 3.790 -4.721 -13.378 1.00 32.04 H new ATOM 0 HB VAL A 15 5.720 -4.009 -15.575 1.00 3.42 H new ATOM 0 HG11 VAL A 15 7.351 -3.776 -13.736 1.00 61.21 H new ATOM 0 HG12 VAL A 15 6.016 -2.609 -13.594 1.00 61.21 H new ATOM 0 HG13 VAL A 15 6.049 -4.053 -12.555 1.00 61.21 H new ATOM 0 HG21 VAL A 15 6.989 -5.978 -14.800 1.00 24.24 H new ATOM 0 HG22 VAL A 15 5.666 -6.380 -13.679 1.00 24.24 H new ATOM 0 HG23 VAL A 15 5.388 -6.424 -15.436 1.00 24.24 H new ATOM 211 N VAL A 16 3.166 -2.386 -13.163 1.00 5.01 N ATOM 212 CA VAL A 16 2.695 -1.021 -13.002 1.00 4.14 C ATOM 213 C VAL A 16 3.324 -0.413 -11.745 1.00 75.52 C ATOM 214 O VAL A 16 3.846 -1.136 -10.897 1.00 34.50 O ATOM 215 CB VAL A 16 1.166 -0.994 -12.977 1.00 33.34 C ATOM 216 CG1 VAL A 16 0.589 -1.337 -14.352 1.00 32.21 C ATOM 217 CG2 VAL A 16 0.618 -1.935 -11.902 1.00 55.11 C ATOM 0 H VAL A 16 3.203 -2.929 -12.300 1.00 5.01 H new ATOM 0 HA VAL A 16 3.004 -0.409 -13.849 1.00 4.14 H new ATOM 0 HB VAL A 16 0.853 0.019 -12.726 1.00 33.34 H new ATOM 0 HG11 VAL A 16 -0.500 -1.311 -14.307 1.00 32.21 H new ATOM 0 HG12 VAL A 16 0.939 -0.610 -15.085 1.00 32.21 H new ATOM 0 HG13 VAL A 16 0.916 -2.335 -14.645 1.00 32.21 H new ATOM 0 HG21 VAL A 16 -0.471 -1.897 -11.906 1.00 55.11 H new ATOM 0 HG22 VAL A 16 0.946 -2.954 -12.109 1.00 55.11 H new ATOM 0 HG23 VAL A 16 0.989 -1.626 -10.925 1.00 55.11 H new ATOM 227 N LYS A 17 3.253 0.906 -11.665 1.00 54.41 N ATOM 228 CA LYS A 17 3.809 1.619 -10.527 1.00 61.44 C ATOM 229 C LYS A 17 2.682 2.334 -9.779 1.00 73.31 C ATOM 230 O LYS A 17 1.673 2.705 -10.377 1.00 32.12 O ATOM 231 CB LYS A 17 4.937 2.549 -10.976 1.00 51.44 C ATOM 232 CG LYS A 17 5.669 3.143 -9.772 1.00 4.22 C ATOM 233 CD LYS A 17 6.306 4.489 -10.126 1.00 13.23 C ATOM 234 CE LYS A 17 7.378 4.874 -9.104 1.00 50.13 C ATOM 235 NZ LYS A 17 8.613 5.316 -9.791 1.00 54.31 N ATOM 0 H LYS A 17 2.819 1.501 -12.370 1.00 54.41 H new ATOM 0 HA LYS A 17 4.265 0.921 -9.825 1.00 61.44 H new ATOM 0 HB2 LYS A 17 5.642 1.998 -11.599 1.00 51.44 H new ATOM 0 HB3 LYS A 17 4.529 3.352 -11.590 1.00 51.44 H new ATOM 0 HG2 LYS A 17 4.970 3.273 -8.945 1.00 4.22 H new ATOM 0 HG3 LYS A 17 6.439 2.450 -9.432 1.00 4.22 H new ATOM 0 HD2 LYS A 17 6.749 4.435 -11.120 1.00 13.23 H new ATOM 0 HD3 LYS A 17 5.537 5.261 -10.161 1.00 13.23 H new ATOM 0 HE2 LYS A 17 7.006 5.672 -8.461 1.00 50.13 H new ATOM 0 HE3 LYS A 17 7.598 4.022 -8.460 1.00 50.13 H new ATOM 0 HZ1 LYS A 17 9.330 5.574 -9.084 1.00 54.31 H new ATOM 0 HZ2 LYS A 17 8.975 4.543 -10.386 1.00 54.31 H new ATOM 0 HZ3 LYS A 17 8.402 6.142 -10.387 1.00 54.31 H new ATOM 248 N VAL A 18 2.892 2.505 -8.482 1.00 32.03 N ATOM 249 CA VAL A 18 1.906 3.170 -7.646 1.00 61.10 C ATOM 250 C VAL A 18 2.297 4.639 -7.473 1.00 74.35 C ATOM 251 O VAL A 18 2.971 4.996 -6.509 1.00 1.41 O ATOM 252 CB VAL A 18 1.765 2.429 -6.315 1.00 71.11 C ATOM 253 CG1 VAL A 18 0.974 3.262 -5.305 1.00 33.44 C ATOM 254 CG2 VAL A 18 1.121 1.055 -6.517 1.00 52.45 C ATOM 0 H VAL A 18 3.730 2.195 -7.990 1.00 32.03 H new ATOM 0 HA VAL A 18 0.925 3.149 -8.121 1.00 61.10 H new ATOM 0 HB VAL A 18 2.765 2.274 -5.911 1.00 71.11 H new ATOM 0 HG11 VAL A 18 0.888 2.712 -4.368 1.00 33.44 H new ATOM 0 HG12 VAL A 18 1.491 4.205 -5.127 1.00 33.44 H new ATOM 0 HG13 VAL A 18 -0.022 3.463 -5.700 1.00 33.44 H new ATOM 0 HG21 VAL A 18 1.033 0.550 -5.555 1.00 52.45 H new ATOM 0 HG22 VAL A 18 0.130 1.178 -6.955 1.00 52.45 H new ATOM 0 HG23 VAL A 18 1.741 0.457 -7.185 1.00 52.45 H new ATOM 264 N LEU A 19 1.856 5.450 -8.424 1.00 3.13 N ATOM 265 CA LEU A 19 2.151 6.872 -8.389 1.00 10.11 C ATOM 266 C LEU A 19 1.402 7.516 -7.221 1.00 3.12 C ATOM 267 O LEU A 19 1.956 8.351 -6.508 1.00 22.03 O ATOM 268 CB LEU A 19 1.847 7.516 -9.743 1.00 64.53 C ATOM 269 CG LEU A 19 2.687 8.742 -10.107 1.00 62.32 C ATOM 270 CD1 LEU A 19 2.280 9.954 -9.269 1.00 41.42 C ATOM 271 CD2 LEU A 19 4.183 8.438 -9.987 1.00 14.12 C ATOM 0 H LEU A 19 1.297 5.149 -9.223 1.00 3.13 H new ATOM 0 HA LEU A 19 3.215 7.035 -8.215 1.00 10.11 H new ATOM 0 HB2 LEU A 19 1.983 6.763 -10.520 1.00 64.53 H new ATOM 0 HB3 LEU A 19 0.796 7.803 -9.758 1.00 64.53 H new ATOM 0 HG LEU A 19 2.492 8.992 -11.150 1.00 62.32 H new ATOM 0 HD11 LEU A 19 2.893 10.811 -9.548 1.00 41.42 H new ATOM 0 HD12 LEU A 19 1.230 10.184 -9.449 1.00 41.42 H new ATOM 0 HD13 LEU A 19 2.427 9.732 -8.212 1.00 41.42 H new ATOM 0 HD21 LEU A 19 4.757 9.326 -10.251 1.00 14.12 H new ATOM 0 HD22 LEU A 19 4.414 8.148 -8.962 1.00 14.12 H new ATOM 0 HD23 LEU A 19 4.444 7.623 -10.662 1.00 14.12 H new ATOM 283 N GLU A 20 0.153 7.104 -7.062 1.00 2.30 N ATOM 284 CA GLU A 20 -0.678 7.630 -5.992 1.00 34.24 C ATOM 285 C GLU A 20 -1.497 6.505 -5.354 1.00 44.31 C ATOM 286 O GLU A 20 -2.454 6.015 -5.950 1.00 14.30 O ATOM 287 CB GLU A 20 -1.588 8.748 -6.504 1.00 71.14 C ATOM 288 CG GLU A 20 -2.766 8.974 -5.554 1.00 42.05 C ATOM 289 CD GLU A 20 -2.298 9.593 -4.236 1.00 24.55 C ATOM 290 OE1 GLU A 20 -1.817 10.735 -4.224 1.00 43.50 O ATOM 291 OE2 GLU A 20 -2.447 8.842 -3.198 1.00 70.23 O ATOM 0 H GLU A 20 -0.304 6.412 -7.656 1.00 2.30 H new ATOM 0 HA GLU A 20 -0.027 8.057 -5.229 1.00 34.24 H new ATOM 0 HB2 GLU A 20 -1.016 9.670 -6.605 1.00 71.14 H new ATOM 0 HB3 GLU A 20 -1.960 8.493 -7.496 1.00 71.14 H new ATOM 0 HG2 GLU A 20 -3.499 9.628 -6.027 1.00 42.05 H new ATOM 0 HG3 GLU A 20 -3.266 8.026 -5.357 1.00 42.05 H new ATOM 298 N GLU A 21 -1.090 6.130 -4.151 1.00 34.23 N ATOM 299 CA GLU A 21 -1.774 5.072 -3.425 1.00 42.41 C ATOM 300 C GLU A 21 -3.233 5.460 -3.174 1.00 22.41 C ATOM 301 O GLU A 21 -3.546 6.637 -3.002 1.00 21.35 O ATOM 302 CB GLU A 21 -1.056 4.756 -2.112 1.00 74.14 C ATOM 303 CG GLU A 21 -1.165 5.925 -1.131 1.00 71.54 C ATOM 304 CD GLU A 21 -0.811 5.483 0.290 1.00 21.23 C ATOM 305 OE1 GLU A 21 0.378 5.397 0.634 1.00 21.41 O ATOM 306 OE2 GLU A 21 -1.821 5.225 1.049 1.00 43.30 O ATOM 0 H GLU A 21 -0.295 6.539 -3.660 1.00 34.23 H new ATOM 0 HA GLU A 21 -1.758 4.169 -4.035 1.00 42.41 H new ATOM 0 HB2 GLU A 21 -1.487 3.860 -1.665 1.00 74.14 H new ATOM 0 HB3 GLU A 21 -0.006 4.540 -2.311 1.00 74.14 H new ATOM 0 HG2 GLU A 21 -0.498 6.729 -1.442 1.00 71.54 H new ATOM 0 HG3 GLU A 21 -2.178 6.326 -1.149 1.00 71.54 H new ATOM 313 N GLY A 22 -4.086 4.447 -3.159 1.00 60.23 N ATOM 314 CA GLY A 22 -5.505 4.666 -2.931 1.00 43.55 C ATOM 315 C GLY A 22 -6.010 3.819 -1.762 1.00 65.15 C ATOM 316 O GLY A 22 -5.271 3.562 -0.811 1.00 60.14 O ATOM 0 H GLY A 22 -3.822 3.472 -3.301 1.00 60.23 H new ATOM 0 HA2 GLY A 22 -5.685 5.721 -2.725 1.00 43.55 H new ATOM 0 HA3 GLY A 22 -6.064 4.418 -3.833 1.00 43.55 H new ATOM 320 N GLY A 23 -7.264 3.406 -1.870 1.00 12.04 N ATOM 321 CA GLY A 23 -7.877 2.593 -0.834 1.00 4.03 C ATOM 322 C GLY A 23 -8.019 1.139 -1.290 1.00 43.31 C ATOM 323 O GLY A 23 -7.643 0.218 -0.567 1.00 20.23 O ATOM 0 H GLY A 23 -7.873 3.620 -2.660 1.00 12.04 H new ATOM 0 HA2 GLY A 23 -7.273 2.636 0.072 1.00 4.03 H new ATOM 0 HA3 GLY A 23 -8.858 2.997 -0.583 1.00 4.03 H new ATOM 327 N GLY A 24 -8.563 0.979 -2.487 1.00 65.44 N ATOM 328 CA GLY A 24 -8.758 -0.346 -3.049 1.00 71.41 C ATOM 329 C GLY A 24 -7.438 -0.928 -3.556 1.00 62.04 C ATOM 330 O GLY A 24 -6.471 -0.196 -3.762 1.00 13.42 O ATOM 0 H GLY A 24 -8.875 1.745 -3.083 1.00 65.44 H new ATOM 0 HA2 GLY A 24 -9.184 -1.006 -2.293 1.00 71.41 H new ATOM 0 HA3 GLY A 24 -9.475 -0.295 -3.868 1.00 71.41 H new ATOM 334 N THR A 25 -7.439 -2.240 -3.745 1.00 53.25 N ATOM 335 CA THR A 25 -6.253 -2.928 -4.225 1.00 64.50 C ATOM 336 C THR A 25 -6.334 -3.138 -5.738 1.00 71.12 C ATOM 337 O THR A 25 -7.425 -3.231 -6.299 1.00 13.15 O ATOM 338 CB THR A 25 -6.111 -4.232 -3.438 1.00 12.13 C ATOM 339 OG1 THR A 25 -4.806 -4.699 -3.770 1.00 53.20 O ATOM 340 CG2 THR A 25 -7.043 -5.331 -3.953 1.00 30.02 C ATOM 0 H THR A 25 -8.243 -2.844 -3.574 1.00 53.25 H new ATOM 0 HA THR A 25 -5.356 -2.332 -4.058 1.00 64.50 H new ATOM 0 HB THR A 25 -6.319 -4.044 -2.385 1.00 12.13 H new ATOM 0 HG1 THR A 25 -4.854 -5.640 -4.041 1.00 53.20 H new ATOM 0 HG21 THR A 25 -6.902 -6.235 -3.360 1.00 30.02 H new ATOM 0 HG22 THR A 25 -8.078 -4.999 -3.869 1.00 30.02 H new ATOM 0 HG23 THR A 25 -6.814 -5.543 -4.997 1.00 30.02 H new ATOM 348 N LEU A 26 -5.165 -3.207 -6.358 1.00 23.21 N ATOM 349 CA LEU A 26 -5.089 -3.406 -7.796 1.00 13.43 C ATOM 350 C LEU A 26 -5.267 -4.891 -8.111 1.00 73.14 C ATOM 351 O LEU A 26 -4.548 -5.734 -7.578 1.00 64.43 O ATOM 352 CB LEU A 26 -3.794 -2.809 -8.351 1.00 34.13 C ATOM 353 CG LEU A 26 -3.336 -1.494 -7.718 1.00 4.42 C ATOM 354 CD1 LEU A 26 -1.812 -1.364 -7.765 1.00 70.35 C ATOM 355 CD2 LEU A 26 -4.034 -0.299 -8.370 1.00 43.24 C ATOM 0 H LEU A 26 -4.262 -3.129 -5.891 1.00 23.21 H new ATOM 0 HA LEU A 26 -5.898 -2.875 -8.298 1.00 13.43 H new ATOM 0 HB2 LEU A 26 -2.998 -3.544 -8.231 1.00 34.13 H new ATOM 0 HB3 LEU A 26 -3.921 -2.649 -9.422 1.00 34.13 H new ATOM 0 HG LEU A 26 -3.626 -1.502 -6.667 1.00 4.42 H new ATOM 0 HD11 LEU A 26 -1.513 -0.420 -7.309 1.00 70.35 H new ATOM 0 HD12 LEU A 26 -1.359 -2.191 -7.218 1.00 70.35 H new ATOM 0 HD13 LEU A 26 -1.477 -1.388 -8.802 1.00 70.35 H new ATOM 0 HD21 LEU A 26 -3.690 0.623 -7.901 1.00 43.24 H new ATOM 0 HD22 LEU A 26 -3.797 -0.275 -9.434 1.00 43.24 H new ATOM 0 HD23 LEU A 26 -5.112 -0.392 -8.240 1.00 43.24 H new ATOM 367 N VAL A 27 -6.232 -5.168 -8.977 1.00 60.01 N ATOM 368 CA VAL A 27 -6.514 -6.538 -9.370 1.00 65.44 C ATOM 369 C VAL A 27 -6.217 -6.707 -10.862 1.00 2.05 C ATOM 370 O VAL A 27 -6.358 -5.764 -11.638 1.00 52.42 O ATOM 371 CB VAL A 27 -7.953 -6.903 -9.003 1.00 51.51 C ATOM 372 CG1 VAL A 27 -8.430 -8.122 -9.794 1.00 61.40 C ATOM 373 CG2 VAL A 27 -8.092 -7.137 -7.497 1.00 75.10 C ATOM 0 H VAL A 27 -6.828 -4.467 -9.417 1.00 60.01 H new ATOM 0 HA VAL A 27 -5.869 -7.230 -8.829 1.00 65.44 H new ATOM 0 HB VAL A 27 -8.590 -6.061 -9.272 1.00 51.51 H new ATOM 0 HG11 VAL A 27 -9.456 -8.359 -9.513 1.00 61.40 H new ATOM 0 HG12 VAL A 27 -8.387 -7.903 -10.861 1.00 61.40 H new ATOM 0 HG13 VAL A 27 -7.787 -8.974 -9.572 1.00 61.40 H new ATOM 0 HG21 VAL A 27 -9.125 -7.395 -7.263 1.00 75.10 H new ATOM 0 HG22 VAL A 27 -7.436 -7.953 -7.194 1.00 75.10 H new ATOM 0 HG23 VAL A 27 -7.814 -6.230 -6.961 1.00 75.10 H new ATOM 383 N CYS A 28 -5.810 -7.917 -11.218 1.00 55.25 N ATOM 384 CA CYS A 28 -5.491 -8.222 -12.603 1.00 73.11 C ATOM 385 C CYS A 28 -5.613 -9.734 -12.801 1.00 71.35 C ATOM 386 O CYS A 28 -5.061 -10.513 -12.026 1.00 15.42 O ATOM 387 CB CYS A 28 -4.105 -7.705 -12.992 1.00 21.31 C ATOM 388 SG CYS A 28 -3.771 -7.681 -14.791 1.00 13.22 S ATOM 0 H CYS A 28 -5.694 -8.697 -10.572 1.00 55.25 H new ATOM 0 HA CYS A 28 -6.194 -7.712 -13.262 1.00 73.11 H new ATOM 0 HB2 CYS A 28 -3.987 -6.694 -12.601 1.00 21.31 H new ATOM 0 HB3 CYS A 28 -3.352 -8.325 -12.505 1.00 21.31 H new ATOM 393 N CYS A 29 -6.340 -10.105 -13.846 1.00 32.03 N ATOM 394 CA CYS A 29 -6.541 -11.509 -14.157 1.00 60.23 C ATOM 395 C CYS A 29 -7.176 -12.185 -12.940 1.00 72.21 C ATOM 396 O CYS A 29 -6.733 -13.252 -12.517 1.00 14.31 O ATOM 397 CB CYS A 29 -5.234 -12.190 -14.571 1.00 31.41 C ATOM 398 SG CYS A 29 -4.378 -11.411 -15.987 1.00 62.22 S ATOM 0 H CYS A 29 -6.797 -9.457 -14.487 1.00 32.03 H new ATOM 0 HA CYS A 29 -7.209 -11.602 -15.013 1.00 60.23 H new ATOM 0 HB2 CYS A 29 -4.558 -12.198 -13.716 1.00 31.41 H new ATOM 0 HB3 CYS A 29 -5.446 -13.230 -14.820 1.00 31.41 H new ATOM 403 N GLY A 30 -8.203 -11.535 -12.411 1.00 44.21 N ATOM 404 CA GLY A 30 -8.903 -12.059 -11.251 1.00 25.21 C ATOM 405 C GLY A 30 -7.921 -12.411 -10.131 1.00 73.22 C ATOM 406 O GLY A 30 -8.175 -13.319 -9.341 1.00 31.53 O ATOM 0 H GLY A 30 -8.567 -10.650 -12.765 1.00 44.21 H new ATOM 0 HA2 GLY A 30 -9.621 -11.322 -10.892 1.00 25.21 H new ATOM 0 HA3 GLY A 30 -9.471 -12.946 -11.534 1.00 25.21 H new ATOM 410 N GLU A 31 -6.822 -11.673 -10.099 1.00 1.14 N ATOM 411 CA GLU A 31 -5.801 -11.895 -9.088 1.00 41.02 C ATOM 412 C GLU A 31 -5.380 -10.566 -8.458 1.00 11.33 C ATOM 413 O GLU A 31 -5.465 -9.518 -9.096 1.00 12.41 O ATOM 414 CB GLU A 31 -4.595 -12.628 -9.679 1.00 31.35 C ATOM 415 CG GLU A 31 -3.390 -12.545 -8.741 1.00 21.34 C ATOM 416 CD GLU A 31 -2.310 -13.553 -9.145 1.00 13.45 C ATOM 417 OE1 GLU A 31 -2.563 -14.767 -9.142 1.00 10.21 O ATOM 418 OE2 GLU A 31 -1.175 -13.034 -9.470 1.00 61.12 O ATOM 0 H GLU A 31 -6.615 -10.921 -10.756 1.00 1.14 H new ATOM 0 HA GLU A 31 -6.222 -12.528 -8.307 1.00 41.02 H new ATOM 0 HB2 GLU A 31 -4.851 -13.673 -9.857 1.00 31.35 H new ATOM 0 HB3 GLU A 31 -4.339 -12.194 -10.645 1.00 31.35 H new ATOM 0 HG2 GLU A 31 -2.977 -11.536 -8.762 1.00 21.34 H new ATOM 0 HG3 GLU A 31 -3.708 -12.738 -7.717 1.00 21.34 H new ATOM 425 N ASP A 32 -4.934 -10.653 -7.214 1.00 23.13 N ATOM 426 CA ASP A 32 -4.498 -9.471 -6.491 1.00 2.45 C ATOM 427 C ASP A 32 -3.061 -9.132 -6.892 1.00 4.55 C ATOM 428 O ASP A 32 -2.118 -9.781 -6.442 1.00 74.55 O ATOM 429 CB ASP A 32 -4.523 -9.708 -4.979 1.00 72.33 C ATOM 430 CG ASP A 32 -5.120 -8.566 -4.154 1.00 75.33 C ATOM 431 OD1 ASP A 32 -4.966 -7.384 -4.495 1.00 51.03 O ATOM 432 OD2 ASP A 32 -5.778 -8.936 -3.107 1.00 24.02 O ATOM 0 H ASP A 32 -4.865 -11.524 -6.688 1.00 23.13 H new ATOM 0 HA ASP A 32 -5.178 -8.656 -6.740 1.00 2.45 H new ATOM 0 HB2 ASP A 32 -5.091 -10.616 -4.778 1.00 72.33 H new ATOM 0 HB3 ASP A 32 -3.503 -9.888 -4.638 1.00 72.33 H new ATOM 437 N MET A 33 -2.939 -8.116 -7.732 1.00 55.33 N ATOM 438 CA MET A 33 -1.633 -7.683 -8.200 1.00 32.12 C ATOM 439 C MET A 33 -0.619 -7.668 -7.055 1.00 3.45 C ATOM 440 O MET A 33 -0.856 -7.048 -6.018 1.00 61.30 O ATOM 441 CB MET A 33 -1.744 -6.281 -8.802 1.00 73.21 C ATOM 442 CG MET A 33 -2.098 -6.350 -10.288 1.00 71.34 C ATOM 443 SD MET A 33 -1.854 -4.754 -11.049 1.00 55.05 S ATOM 444 CE MET A 33 -0.084 -4.596 -10.878 1.00 33.44 C ATOM 0 H MET A 33 -3.724 -7.579 -8.101 1.00 55.33 H new ATOM 0 HA MET A 33 -1.288 -8.386 -8.958 1.00 32.12 H new ATOM 0 HB2 MET A 33 -2.505 -5.712 -8.269 1.00 73.21 H new ATOM 0 HB3 MET A 33 -0.801 -5.750 -8.673 1.00 73.21 H new ATOM 0 HG2 MET A 33 -1.478 -7.097 -10.784 1.00 71.34 H new ATOM 0 HG3 MET A 33 -3.134 -6.665 -10.409 1.00 71.34 H new ATOM 0 HE1 MET A 33 0.149 -3.683 -10.330 1.00 33.44 H new ATOM 0 HE2 MET A 33 0.307 -5.456 -10.334 1.00 33.44 H new ATOM 0 HE3 MET A 33 0.375 -4.553 -11.866 1.00 33.44 H new ATOM 454 N VAL A 34 0.490 -8.357 -7.279 1.00 30.33 N ATOM 455 CA VAL A 34 1.541 -8.431 -6.278 1.00 4.41 C ATOM 456 C VAL A 34 2.458 -7.213 -6.417 1.00 54.44 C ATOM 457 O VAL A 34 2.422 -6.517 -7.430 1.00 62.43 O ATOM 458 CB VAL A 34 2.291 -9.759 -6.402 1.00 71.12 C ATOM 459 CG1 VAL A 34 3.138 -10.029 -5.158 1.00 0.01 C ATOM 460 CG2 VAL A 34 1.321 -10.912 -6.666 1.00 74.41 C ATOM 0 H VAL A 34 0.684 -8.869 -8.139 1.00 30.33 H new ATOM 0 HA VAL A 34 1.115 -8.406 -5.275 1.00 4.41 H new ATOM 0 HB VAL A 34 2.965 -9.685 -7.255 1.00 71.12 H new ATOM 0 HG11 VAL A 34 3.660 -10.979 -5.273 1.00 0.01 H new ATOM 0 HG12 VAL A 34 3.866 -9.227 -5.032 1.00 0.01 H new ATOM 0 HG13 VAL A 34 2.492 -10.073 -4.281 1.00 0.01 H new ATOM 0 HG21 VAL A 34 1.879 -11.845 -6.750 1.00 74.41 H new ATOM 0 HG22 VAL A 34 0.612 -10.987 -5.842 1.00 74.41 H new ATOM 0 HG23 VAL A 34 0.781 -10.727 -7.594 1.00 74.41 H new ATOM 470 N LYS A 35 3.256 -6.992 -5.383 1.00 62.41 N ATOM 471 CA LYS A 35 4.180 -5.871 -5.377 1.00 51.10 C ATOM 472 C LYS A 35 5.599 -6.386 -5.132 1.00 3.31 C ATOM 473 O LYS A 35 5.804 -7.290 -4.322 1.00 1.33 O ATOM 474 CB LYS A 35 3.729 -4.810 -4.370 1.00 75.53 C ATOM 475 CG LYS A 35 3.988 -5.271 -2.935 1.00 2.14 C ATOM 476 CD LYS A 35 2.793 -6.053 -2.385 1.00 50.32 C ATOM 477 CE LYS A 35 3.256 -7.277 -1.595 1.00 21.33 C ATOM 478 NZ LYS A 35 2.109 -7.920 -0.914 1.00 42.21 N ATOM 0 H LYS A 35 3.282 -7.570 -4.543 1.00 62.41 H new ATOM 0 HA LYS A 35 4.183 -5.376 -6.348 1.00 51.10 H new ATOM 0 HB2 LYS A 35 4.260 -3.877 -4.557 1.00 75.53 H new ATOM 0 HB3 LYS A 35 2.667 -4.605 -4.504 1.00 75.53 H new ATOM 0 HG2 LYS A 35 4.881 -5.896 -2.906 1.00 2.14 H new ATOM 0 HG3 LYS A 35 4.184 -4.406 -2.301 1.00 2.14 H new ATOM 0 HD2 LYS A 35 2.195 -5.406 -1.743 1.00 50.32 H new ATOM 0 HD3 LYS A 35 2.150 -6.368 -3.207 1.00 50.32 H new ATOM 0 HE2 LYS A 35 3.734 -7.990 -2.266 1.00 21.33 H new ATOM 0 HE3 LYS A 35 4.004 -6.981 -0.859 1.00 21.33 H new ATOM 0 HZ1 LYS A 35 2.442 -8.750 -0.382 1.00 42.21 H new ATOM 0 HZ2 LYS A 35 1.670 -7.242 -0.259 1.00 42.21 H new ATOM 0 HZ3 LYS A 35 1.409 -8.221 -1.622 1.00 42.21 H new ATOM 491 N GLN A 36 6.543 -5.789 -5.846 1.00 33.24 N ATOM 492 CA GLN A 36 7.937 -6.177 -5.714 1.00 42.35 C ATOM 493 C GLN A 36 8.556 -5.524 -4.477 1.00 72.43 C ATOM 494 O GLN A 36 9.666 -5.872 -4.077 1.00 41.02 O ATOM 495 CB GLN A 36 8.726 -5.818 -6.976 1.00 73.32 C ATOM 496 CG GLN A 36 7.870 -6.009 -8.230 1.00 43.13 C ATOM 497 CD GLN A 36 7.765 -7.489 -8.602 1.00 72.43 C ATOM 498 OE1 GLN A 36 8.725 -8.124 -9.006 1.00 34.52 O ATOM 499 NE2 GLN A 36 6.547 -8.000 -8.443 1.00 64.32 N ATOM 0 H GLN A 36 6.370 -5.040 -6.517 1.00 33.24 H new ATOM 0 HA GLN A 36 7.983 -7.259 -5.590 1.00 42.35 H new ATOM 0 HB2 GLN A 36 9.064 -4.783 -6.916 1.00 73.32 H new ATOM 0 HB3 GLN A 36 9.618 -6.441 -7.041 1.00 73.32 H new ATOM 0 HG2 GLN A 36 6.873 -5.602 -8.060 1.00 43.13 H new ATOM 0 HG3 GLN A 36 8.305 -5.452 -9.060 1.00 43.13 H new ATOM 0 HE21 GLN A 36 5.788 -7.411 -8.100 1.00 64.32 H new ATOM 0 HE22 GLN A 36 6.372 -8.980 -8.664 1.00 64.32 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -1.008 -1.949 -21.337 1.00 35.23 N ATOM 510 CA ALA B 1 -1.724 -0.960 -22.124 1.00 73.02 C ATOM 511 C ALA B 1 -0.741 0.103 -22.617 1.00 63.34 C ATOM 512 O ALA B 1 -0.663 1.192 -22.051 1.00 2.14 O ATOM 513 CB ALA B 1 -2.857 -0.363 -21.286 1.00 3.32 C ATOM 0 H1 ALA B 1 -1.197 -2.898 -21.717 1.00 35.23 H new ATOM 0 H2 ALA B 1 0.013 -1.755 -21.381 1.00 35.23 H new ATOM 0 H3 ALA B 1 -1.327 -1.903 -20.348 1.00 35.23 H new ATOM 0 HA ALA B 1 -2.176 -1.422 -23.001 1.00 73.02 H new ATOM 0 HB1 ALA B 1 -3.394 0.379 -21.877 1.00 3.32 H new ATOM 0 HB2 ALA B 1 -3.544 -1.155 -20.986 1.00 3.32 H new ATOM 0 HB3 ALA B 1 -2.441 0.112 -20.398 1.00 3.32 H new ATOM 519 N ASN B 2 -0.014 -0.251 -23.667 1.00 13.34 N ATOM 520 CA ASN B 2 0.962 0.659 -24.242 1.00 70.22 C ATOM 521 C ASN B 2 1.897 1.161 -23.141 1.00 11.14 C ATOM 522 O ASN B 2 1.554 2.086 -22.406 1.00 3.42 O ATOM 523 CB ASN B 2 0.278 1.874 -24.872 1.00 52.13 C ATOM 524 CG ASN B 2 -0.835 1.442 -25.829 1.00 61.34 C ATOM 525 OD1 ASN B 2 -1.908 1.023 -25.426 1.00 14.41 O ATOM 526 ND2 ASN B 2 -0.521 1.565 -27.116 1.00 11.13 N ATOM 0 H ASN B 2 -0.081 -1.155 -24.134 1.00 13.34 H new ATOM 0 HA ASN B 2 1.515 0.118 -25.010 1.00 70.22 H new ATOM 0 HB2 ASN B 2 -0.137 2.509 -24.089 1.00 52.13 H new ATOM 0 HB3 ASN B 2 1.014 2.471 -25.410 1.00 52.13 H new ATOM 0 HD21 ASN B 2 -1.197 1.301 -27.833 1.00 11.13 H new ATOM 0 HD22 ASN B 2 0.395 1.923 -27.385 1.00 11.13 H new ATOM 533 N GLU B 3 3.058 0.529 -23.060 1.00 50.11 N ATOM 534 CA GLU B 3 4.044 0.900 -22.060 1.00 2.32 C ATOM 535 C GLU B 3 4.209 2.420 -22.015 1.00 54.55 C ATOM 536 O GLU B 3 4.319 3.068 -23.056 1.00 70.43 O ATOM 537 CB GLU B 3 5.384 0.212 -22.329 1.00 70.12 C ATOM 538 CG GLU B 3 6.463 0.718 -21.370 1.00 1.40 C ATOM 539 CD GLU B 3 7.811 0.054 -21.660 1.00 74.25 C ATOM 540 OE1 GLU B 3 8.084 -0.316 -22.812 1.00 1.24 O ATOM 541 OE2 GLU B 3 8.587 -0.073 -20.638 1.00 62.53 O ATOM 0 H GLU B 3 3.338 -0.238 -23.671 1.00 50.11 H new ATOM 0 HA GLU B 3 3.688 0.563 -21.086 1.00 2.32 H new ATOM 0 HB2 GLU B 3 5.272 -0.867 -22.219 1.00 70.12 H new ATOM 0 HB3 GLU B 3 5.692 0.397 -23.358 1.00 70.12 H new ATOM 0 HG2 GLU B 3 6.559 1.800 -21.463 1.00 1.40 H new ATOM 0 HG3 GLU B 3 6.166 0.512 -20.342 1.00 1.40 H new ATOM 548 N GLY B 4 4.220 2.948 -20.799 1.00 65.42 N ATOM 549 CA GLY B 4 4.369 4.379 -20.606 1.00 1.51 C ATOM 550 C GLY B 4 3.008 5.052 -20.413 1.00 13.23 C ATOM 551 O GLY B 4 2.916 6.278 -20.384 1.00 33.30 O ATOM 0 H GLY B 4 4.128 2.409 -19.938 1.00 65.42 H new ATOM 0 HA2 GLY B 4 4.999 4.569 -19.737 1.00 1.51 H new ATOM 0 HA3 GLY B 4 4.875 4.815 -21.467 1.00 1.51 H new ATOM 555 N ASP B 5 1.985 4.219 -20.286 1.00 22.41 N ATOM 556 CA ASP B 5 0.634 4.717 -20.096 1.00 22.11 C ATOM 557 C ASP B 5 0.375 4.921 -18.602 1.00 61.22 C ATOM 558 O ASP B 5 0.893 4.177 -17.771 1.00 21.20 O ATOM 559 CB ASP B 5 -0.400 3.719 -20.623 1.00 30.35 C ATOM 560 CG ASP B 5 -0.661 3.793 -22.128 1.00 41.24 C ATOM 561 OD1 ASP B 5 0.323 4.240 -22.831 1.00 41.24 O ATOM 562 OD2 ASP B 5 -1.751 3.441 -22.606 1.00 21.10 O ATOM 0 H ASP B 5 2.065 3.202 -20.311 1.00 22.41 H new ATOM 0 HA ASP B 5 0.541 5.656 -20.642 1.00 22.11 H new ATOM 0 HB2 ASP B 5 -0.068 2.711 -20.376 1.00 30.35 H new ATOM 0 HB3 ASP B 5 -1.341 3.882 -20.098 1.00 30.35 H new ATOM 567 N VAL B 6 -0.427 5.934 -18.306 1.00 24.21 N ATOM 568 CA VAL B 6 -0.760 6.246 -16.927 1.00 65.32 C ATOM 569 C VAL B 6 -2.269 6.092 -16.725 1.00 24.20 C ATOM 570 O VAL B 6 -3.058 6.498 -17.577 1.00 25.21 O ATOM 571 CB VAL B 6 -0.248 7.642 -16.568 1.00 15.24 C ATOM 572 CG1 VAL B 6 -1.210 8.349 -15.609 1.00 63.30 C ATOM 573 CG2 VAL B 6 1.162 7.574 -15.978 1.00 31.13 C ATOM 0 H VAL B 6 -0.856 6.549 -18.998 1.00 24.21 H new ATOM 0 HA VAL B 6 -0.268 5.550 -16.248 1.00 65.32 H new ATOM 0 HB VAL B 6 -0.199 8.227 -17.486 1.00 15.24 H new ATOM 0 HG11 VAL B 6 -0.823 9.339 -15.370 1.00 63.30 H new ATOM 0 HG12 VAL B 6 -2.188 8.446 -16.081 1.00 63.30 H new ATOM 0 HG13 VAL B 6 -1.305 7.766 -14.693 1.00 63.30 H new ATOM 0 HG21 VAL B 6 1.502 8.580 -15.732 1.00 31.13 H new ATOM 0 HG22 VAL B 6 1.150 6.964 -15.075 1.00 31.13 H new ATOM 0 HG23 VAL B 6 1.840 7.130 -16.707 1.00 31.13 H new ATOM 583 N TYR B 7 -2.625 5.505 -15.591 1.00 44.23 N ATOM 584 CA TYR B 7 -4.024 5.293 -15.266 1.00 54.15 C ATOM 585 C TYR B 7 -4.365 5.882 -13.896 1.00 20.03 C ATOM 586 O TYR B 7 -3.557 5.821 -12.971 1.00 44.05 O ATOM 587 CB TYR B 7 -4.221 3.776 -15.218 1.00 41.31 C ATOM 588 CG TYR B 7 -4.544 3.147 -16.575 1.00 53.22 C ATOM 589 CD1 TYR B 7 -3.660 3.281 -17.626 1.00 11.33 C ATOM 590 CD2 TYR B 7 -5.721 2.447 -16.749 1.00 1.11 C ATOM 591 CE1 TYR B 7 -3.964 2.689 -18.903 1.00 12.10 C ATOM 592 CE2 TYR B 7 -6.026 1.855 -18.025 1.00 70.02 C ATOM 593 CZ TYR B 7 -5.132 2.005 -19.040 1.00 55.32 C ATOM 594 OH TYR B 7 -5.420 1.446 -20.247 1.00 2.55 O ATOM 0 H TYR B 7 -1.968 5.170 -14.886 1.00 44.23 H new ATOM 0 HA TYR B 7 -4.666 5.775 -16.003 1.00 54.15 H new ATOM 0 HB2 TYR B 7 -3.316 3.315 -14.821 1.00 41.31 H new ATOM 0 HB3 TYR B 7 -5.027 3.547 -14.522 1.00 41.31 H new ATOM 0 HD1 TYR B 7 -2.740 3.830 -17.491 1.00 11.33 H new ATOM 0 HD2 TYR B 7 -6.414 2.343 -15.927 1.00 1.11 H new ATOM 0 HE1 TYR B 7 -3.280 2.786 -19.733 1.00 12.10 H new ATOM 0 HE2 TYR B 7 -6.943 1.304 -18.174 1.00 70.02 H new ATOM 0 HH TYR B 7 -6.285 0.988 -20.197 1.00 2.55 H new ATOM 604 N LYS B 8 -5.564 6.440 -13.809 1.00 22.21 N ATOM 605 CA LYS B 8 -6.021 7.040 -12.567 1.00 50.43 C ATOM 606 C LYS B 8 -7.487 6.668 -12.335 1.00 42.01 C ATOM 607 O LYS B 8 -8.238 6.464 -13.288 1.00 40.01 O ATOM 608 CB LYS B 8 -5.763 8.549 -12.574 1.00 72.14 C ATOM 609 CG LYS B 8 -6.910 9.297 -13.256 1.00 13.11 C ATOM 610 CD LYS B 8 -8.063 9.541 -12.279 1.00 12.01 C ATOM 611 CE LYS B 8 -7.860 10.845 -11.505 1.00 24.21 C ATOM 612 NZ LYS B 8 -6.555 10.833 -10.805 1.00 35.23 N ATOM 0 H LYS B 8 -6.232 6.489 -14.578 1.00 22.21 H new ATOM 0 HA LYS B 8 -5.454 6.647 -11.723 1.00 50.43 H new ATOM 0 HB2 LYS B 8 -5.648 8.907 -11.551 1.00 72.14 H new ATOM 0 HB3 LYS B 8 -4.828 8.759 -13.092 1.00 72.14 H new ATOM 0 HG2 LYS B 8 -6.549 10.250 -13.643 1.00 13.11 H new ATOM 0 HG3 LYS B 8 -7.268 8.721 -14.110 1.00 13.11 H new ATOM 0 HD2 LYS B 8 -9.005 9.582 -12.826 1.00 12.01 H new ATOM 0 HD3 LYS B 8 -8.135 8.707 -11.581 1.00 12.01 H new ATOM 0 HE2 LYS B 8 -7.905 11.692 -12.189 1.00 24.21 H new ATOM 0 HE3 LYS B 8 -8.666 10.976 -10.783 1.00 24.21 H new ATOM 0 HZ1 LYS B 8 -6.483 11.669 -10.191 1.00 35.23 H new ATOM 0 HZ2 LYS B 8 -6.479 9.972 -10.227 1.00 35.23 H new ATOM 0 HZ3 LYS B 8 -5.786 10.850 -11.505 1.00 35.23 H new ATOM 625 N CYS B 9 -7.850 6.591 -11.064 1.00 33.33 N ATOM 626 CA CYS B 9 -9.213 6.247 -10.694 1.00 51.14 C ATOM 627 C CYS B 9 -9.978 7.543 -10.416 1.00 70.33 C ATOM 628 O CYS B 9 -9.373 8.576 -10.135 1.00 41.21 O ATOM 629 CB CYS B 9 -9.252 5.293 -9.498 1.00 1.13 C ATOM 630 SG CYS B 9 -10.878 4.508 -9.193 1.00 60.45 S ATOM 0 H CYS B 9 -7.224 6.761 -10.277 1.00 33.33 H new ATOM 0 HA CYS B 9 -9.691 5.714 -11.516 1.00 51.14 H new ATOM 0 HB2 CYS B 9 -8.510 4.510 -9.652 1.00 1.13 H new ATOM 0 HB3 CYS B 9 -8.956 5.842 -8.604 1.00 1.13 H new ATOM 635 N GLU B 10 -11.296 7.445 -10.506 1.00 3.20 N ATOM 636 CA GLU B 10 -12.149 8.597 -10.267 1.00 70.33 C ATOM 637 C GLU B 10 -12.902 8.436 -8.945 1.00 24.53 C ATOM 638 O GLU B 10 -13.851 9.168 -8.673 1.00 74.10 O ATOM 639 CB GLU B 10 -13.122 8.808 -11.429 1.00 74.14 C ATOM 640 CG GLU B 10 -12.371 8.955 -12.753 1.00 63.02 C ATOM 641 CD GLU B 10 -11.690 10.322 -12.849 1.00 23.24 C ATOM 642 OE1 GLU B 10 -11.084 10.782 -11.870 1.00 45.22 O ATOM 643 OE2 GLU B 10 -11.806 10.910 -13.991 1.00 22.30 O ATOM 0 H GLU B 10 -11.794 6.586 -10.741 1.00 3.20 H new ATOM 0 HA GLU B 10 -11.518 9.483 -10.197 1.00 70.33 H new ATOM 0 HB2 GLU B 10 -13.811 7.965 -11.489 1.00 74.14 H new ATOM 0 HB3 GLU B 10 -13.723 9.699 -11.247 1.00 74.14 H new ATOM 0 HG2 GLU B 10 -11.624 8.166 -12.841 1.00 63.02 H new ATOM 0 HG3 GLU B 10 -13.065 8.831 -13.584 1.00 63.02 H new ATOM 650 N LEU B 11 -12.448 7.471 -8.157 1.00 52.12 N ATOM 651 CA LEU B 11 -13.067 7.204 -6.870 1.00 14.25 C ATOM 652 C LEU B 11 -11.980 7.101 -5.797 1.00 42.42 C ATOM 653 O LEU B 11 -11.830 8.002 -4.973 1.00 45.24 O ATOM 654 CB LEU B 11 -13.967 5.969 -6.953 1.00 22.11 C ATOM 655 CG LEU B 11 -14.196 5.216 -5.640 1.00 52.43 C ATOM 656 CD1 LEU B 11 -15.102 6.015 -4.702 1.00 12.12 C ATOM 657 CD2 LEU B 11 -14.739 3.811 -5.902 1.00 75.44 C ATOM 0 H LEU B 11 -11.660 6.865 -8.385 1.00 52.12 H new ATOM 0 HA LEU B 11 -13.721 8.028 -6.585 1.00 14.25 H new ATOM 0 HB2 LEU B 11 -14.936 6.276 -7.347 1.00 22.11 H new ATOM 0 HB3 LEU B 11 -13.534 5.277 -7.675 1.00 22.11 H new ATOM 0 HG LEU B 11 -13.235 5.101 -5.139 1.00 52.43 H new ATOM 0 HD11 LEU B 11 -15.249 5.458 -3.777 1.00 12.12 H new ATOM 0 HD12 LEU B 11 -14.637 6.975 -4.478 1.00 12.12 H new ATOM 0 HD13 LEU B 11 -16.066 6.182 -5.182 1.00 12.12 H new ATOM 0 HD21 LEU B 11 -14.893 3.298 -4.953 1.00 75.44 H new ATOM 0 HD22 LEU B 11 -15.687 3.881 -6.435 1.00 75.44 H new ATOM 0 HD23 LEU B 11 -14.024 3.251 -6.506 1.00 75.44 H new ATOM 669 N CYS B 12 -11.249 5.997 -5.845 1.00 32.25 N ATOM 670 CA CYS B 12 -10.181 5.766 -4.888 1.00 23.23 C ATOM 671 C CYS B 12 -9.079 6.798 -5.138 1.00 72.43 C ATOM 672 O CYS B 12 -8.238 7.037 -4.273 1.00 34.23 O ATOM 673 CB CYS B 12 -9.650 4.334 -4.969 1.00 65.31 C ATOM 674 SG CYS B 12 -8.771 3.928 -6.522 1.00 21.41 S ATOM 0 H CYS B 12 -11.375 5.253 -6.531 1.00 32.25 H new ATOM 0 HA CYS B 12 -10.565 5.885 -3.875 1.00 23.23 H new ATOM 0 HB2 CYS B 12 -8.975 4.164 -4.131 1.00 65.31 H new ATOM 0 HB3 CYS B 12 -10.486 3.644 -4.850 1.00 65.31 H new ATOM 679 N GLY B 13 -9.120 7.383 -6.327 1.00 72.03 N ATOM 680 CA GLY B 13 -8.136 8.384 -6.703 1.00 32.35 C ATOM 681 C GLY B 13 -6.726 7.792 -6.704 1.00 24.11 C ATOM 682 O GLY B 13 -5.789 8.409 -6.197 1.00 20.23 O ATOM 0 H GLY B 13 -9.819 7.183 -7.042 1.00 72.03 H new ATOM 0 HA2 GLY B 13 -8.371 8.776 -7.693 1.00 32.35 H new ATOM 0 HA3 GLY B 13 -8.182 9.223 -6.009 1.00 32.35 H new ATOM 686 N GLN B 14 -6.617 6.604 -7.279 1.00 33.34 N ATOM 687 CA GLN B 14 -5.336 5.922 -7.352 1.00 71.24 C ATOM 688 C GLN B 14 -4.714 6.109 -8.738 1.00 71.33 C ATOM 689 O GLN B 14 -5.394 5.958 -9.753 1.00 0.43 O ATOM 690 CB GLN B 14 -5.484 4.438 -7.013 1.00 73.11 C ATOM 691 CG GLN B 14 -4.157 3.699 -7.196 1.00 21.53 C ATOM 692 CD GLN B 14 -3.919 2.710 -6.052 1.00 61.51 C ATOM 693 OE1 GLN B 14 -3.021 2.865 -5.240 1.00 71.31 O ATOM 694 NE2 GLN B 14 -4.770 1.689 -6.033 1.00 32.01 N ATOM 0 H GLN B 14 -7.395 6.096 -7.699 1.00 33.34 H new ATOM 0 HA GLN B 14 -4.668 6.364 -6.612 1.00 71.24 H new ATOM 0 HB2 GLN B 14 -5.826 4.329 -5.984 1.00 73.11 H new ATOM 0 HB3 GLN B 14 -6.245 3.990 -7.651 1.00 73.11 H new ATOM 0 HG2 GLN B 14 -4.161 3.167 -8.147 1.00 21.53 H new ATOM 0 HG3 GLN B 14 -3.339 4.418 -7.237 1.00 21.53 H new ATOM 0 HE21 GLN B 14 -5.499 1.619 -6.743 1.00 32.01 H new ATOM 0 HE22 GLN B 14 -4.694 0.975 -5.308 1.00 32.01 H new ATOM 703 N VAL B 15 -3.430 6.433 -8.737 1.00 52.20 N ATOM 704 CA VAL B 15 -2.709 6.642 -9.981 1.00 15.14 C ATOM 705 C VAL B 15 -1.534 5.665 -10.054 1.00 52.23 C ATOM 706 O VAL B 15 -0.763 5.545 -9.104 1.00 24.40 O ATOM 707 CB VAL B 15 -2.278 8.106 -10.098 1.00 34.32 C ATOM 708 CG1 VAL B 15 -1.763 8.415 -11.504 1.00 4.13 C ATOM 709 CG2 VAL B 15 -3.423 9.046 -9.715 1.00 3.23 C ATOM 0 H VAL B 15 -2.870 6.556 -7.894 1.00 52.20 H new ATOM 0 HA VAL B 15 -3.355 6.439 -10.835 1.00 15.14 H new ATOM 0 HB VAL B 15 -1.459 8.271 -9.398 1.00 34.32 H new ATOM 0 HG11 VAL B 15 -1.463 9.462 -11.560 1.00 4.13 H new ATOM 0 HG12 VAL B 15 -0.905 7.780 -11.725 1.00 4.13 H new ATOM 0 HG13 VAL B 15 -2.553 8.224 -12.231 1.00 4.13 H new ATOM 0 HG21 VAL B 15 -3.091 10.080 -9.807 1.00 3.23 H new ATOM 0 HG22 VAL B 15 -4.270 8.877 -10.379 1.00 3.23 H new ATOM 0 HG23 VAL B 15 -3.725 8.852 -8.686 1.00 3.23 H new ATOM 719 N VAL B 16 -1.434 4.993 -11.192 1.00 13.11 N ATOM 720 CA VAL B 16 -0.366 4.031 -11.403 1.00 14.55 C ATOM 721 C VAL B 16 0.138 4.142 -12.842 1.00 43.52 C ATOM 722 O VAL B 16 -0.529 4.726 -13.694 1.00 42.34 O ATOM 723 CB VAL B 16 -0.851 2.624 -11.045 1.00 52.24 C ATOM 724 CG1 VAL B 16 -1.143 2.509 -9.548 1.00 72.41 C ATOM 725 CG2 VAL B 16 -2.079 2.241 -11.875 1.00 41.11 C ATOM 0 H VAL B 16 -2.076 5.096 -11.978 1.00 13.11 H new ATOM 0 HA VAL B 16 0.477 4.246 -10.747 1.00 14.55 H new ATOM 0 HB VAL B 16 -0.052 1.922 -11.284 1.00 52.24 H new ATOM 0 HG11 VAL B 16 -1.486 1.500 -9.321 1.00 72.41 H new ATOM 0 HG12 VAL B 16 -0.235 2.720 -8.983 1.00 72.41 H new ATOM 0 HG13 VAL B 16 -1.917 3.226 -9.272 1.00 72.41 H new ATOM 0 HG21 VAL B 16 -2.404 1.237 -11.602 1.00 41.11 H new ATOM 0 HG22 VAL B 16 -2.885 2.949 -11.681 1.00 41.11 H new ATOM 0 HG23 VAL B 16 -1.824 2.264 -12.934 1.00 41.11 H new ATOM 735 N LYS B 17 1.312 3.572 -13.070 1.00 3.13 N ATOM 736 CA LYS B 17 1.915 3.599 -14.392 1.00 14.42 C ATOM 737 C LYS B 17 1.918 2.186 -14.976 1.00 31.33 C ATOM 738 O LYS B 17 1.836 1.205 -14.238 1.00 30.05 O ATOM 739 CB LYS B 17 3.300 4.245 -14.336 1.00 50.21 C ATOM 740 CG LYS B 17 4.186 3.742 -15.478 1.00 34.33 C ATOM 741 CD LYS B 17 3.838 4.443 -16.792 1.00 51.43 C ATOM 742 CE LYS B 17 4.694 5.697 -16.988 1.00 22.23 C ATOM 743 NZ LYS B 17 6.026 5.336 -17.522 1.00 0.03 N ATOM 0 H LYS B 17 1.862 3.088 -12.361 1.00 3.13 H new ATOM 0 HA LYS B 17 1.326 4.221 -15.066 1.00 14.42 H new ATOM 0 HB2 LYS B 17 3.202 5.329 -14.397 1.00 50.21 H new ATOM 0 HB3 LYS B 17 3.771 4.021 -13.379 1.00 50.21 H new ATOM 0 HG2 LYS B 17 5.234 3.918 -15.234 1.00 34.33 H new ATOM 0 HG3 LYS B 17 4.062 2.665 -15.592 1.00 34.33 H new ATOM 0 HD2 LYS B 17 3.993 3.758 -17.626 1.00 51.43 H new ATOM 0 HD3 LYS B 17 2.782 4.715 -16.795 1.00 51.43 H new ATOM 0 HE2 LYS B 17 4.194 6.382 -17.673 1.00 22.23 H new ATOM 0 HE3 LYS B 17 4.806 6.220 -16.038 1.00 22.23 H new ATOM 0 HZ1 LYS B 17 6.762 5.631 -16.849 1.00 0.03 H new ATOM 0 HZ2 LYS B 17 6.077 4.307 -17.661 1.00 0.03 H new ATOM 0 HZ3 LYS B 17 6.177 5.816 -18.432 1.00 0.03 H new ATOM 756 N VAL B 18 2.013 2.125 -16.295 1.00 62.25 N ATOM 757 CA VAL B 18 2.029 0.847 -16.987 1.00 61.12 C ATOM 758 C VAL B 18 3.431 0.589 -17.540 1.00 61.44 C ATOM 759 O VAL B 18 3.718 0.914 -18.692 1.00 13.34 O ATOM 760 CB VAL B 18 0.946 0.823 -18.068 1.00 12.12 C ATOM 761 CG1 VAL B 18 1.098 -0.404 -18.969 1.00 55.33 C ATOM 762 CG2 VAL B 18 -0.451 0.876 -17.445 1.00 3.31 C ATOM 0 H VAL B 18 2.080 2.940 -16.904 1.00 62.25 H new ATOM 0 HA VAL B 18 1.798 0.036 -16.296 1.00 61.12 H new ATOM 0 HB VAL B 18 1.071 1.711 -18.688 1.00 12.12 H new ATOM 0 HG11 VAL B 18 0.316 -0.397 -19.728 1.00 55.33 H new ATOM 0 HG12 VAL B 18 2.074 -0.381 -19.453 1.00 55.33 H new ATOM 0 HG13 VAL B 18 1.012 -1.309 -18.368 1.00 55.33 H new ATOM 0 HG21 VAL B 18 -1.202 0.858 -18.234 1.00 3.31 H new ATOM 0 HG22 VAL B 18 -0.591 0.015 -16.791 1.00 3.31 H new ATOM 0 HG23 VAL B 18 -0.556 1.793 -16.865 1.00 3.31 H new ATOM 772 N LEU B 19 4.269 0.004 -16.696 1.00 13.03 N ATOM 773 CA LEU B 19 5.634 -0.302 -17.086 1.00 40.22 C ATOM 774 C LEU B 19 5.620 -1.382 -18.170 1.00 44.01 C ATOM 775 O LEU B 19 6.377 -1.306 -19.135 1.00 62.44 O ATOM 776 CB LEU B 19 6.472 -0.671 -15.860 1.00 74.04 C ATOM 777 CG LEU B 19 7.860 -0.032 -15.779 1.00 51.31 C ATOM 778 CD1 LEU B 19 8.096 0.591 -14.402 1.00 44.24 C ATOM 779 CD2 LEU B 19 8.950 -1.041 -16.146 1.00 50.34 C ATOM 0 H LEU B 19 4.028 -0.266 -15.742 1.00 13.03 H new ATOM 0 HA LEU B 19 6.113 0.577 -17.517 1.00 40.22 H new ATOM 0 HB2 LEU B 19 5.913 -0.394 -14.966 1.00 74.04 H new ATOM 0 HB3 LEU B 19 6.591 -1.754 -15.838 1.00 74.04 H new ATOM 0 HG LEU B 19 7.909 0.775 -16.510 1.00 51.31 H new ATOM 0 HD11 LEU B 19 9.089 1.038 -14.370 1.00 44.24 H new ATOM 0 HD12 LEU B 19 7.346 1.360 -14.217 1.00 44.24 H new ATOM 0 HD13 LEU B 19 8.021 -0.181 -13.636 1.00 44.24 H new ATOM 0 HD21 LEU B 19 9.927 -0.561 -16.081 1.00 50.34 H new ATOM 0 HD22 LEU B 19 8.913 -1.884 -15.456 1.00 50.34 H new ATOM 0 HD23 LEU B 19 8.788 -1.397 -17.163 1.00 50.34 H new ATOM 791 N GLU B 20 4.750 -2.362 -17.973 1.00 0.23 N ATOM 792 CA GLU B 20 4.628 -3.455 -18.921 1.00 74.32 C ATOM 793 C GLU B 20 3.156 -3.828 -19.113 1.00 61.23 C ATOM 794 O GLU B 20 2.480 -4.213 -18.161 1.00 42.21 O ATOM 795 CB GLU B 20 5.447 -4.667 -18.470 1.00 15.31 C ATOM 796 CG GLU B 20 6.872 -4.601 -19.021 1.00 62.34 C ATOM 797 CD GLU B 20 7.897 -4.549 -17.887 1.00 31.41 C ATOM 798 OE1 GLU B 20 7.559 -4.146 -16.764 1.00 3.33 O ATOM 799 OE2 GLU B 20 9.082 -4.949 -18.203 1.00 55.25 O ATOM 0 H GLU B 20 4.123 -2.421 -17.171 1.00 0.23 H new ATOM 0 HA GLU B 20 5.028 -3.125 -19.880 1.00 74.32 H new ATOM 0 HB2 GLU B 20 5.476 -4.706 -17.381 1.00 15.31 H new ATOM 0 HB3 GLU B 20 4.964 -5.583 -18.809 1.00 15.31 H new ATOM 0 HG2 GLU B 20 7.063 -5.471 -19.649 1.00 62.34 H new ATOM 0 HG3 GLU B 20 6.980 -3.721 -19.654 1.00 62.34 H new ATOM 806 N GLU B 21 2.704 -3.703 -20.353 1.00 2.51 N ATOM 807 CA GLU B 21 1.325 -4.021 -20.682 1.00 23.14 C ATOM 808 C GLU B 21 1.059 -5.512 -20.463 1.00 42.13 C ATOM 809 O GLU B 21 1.988 -6.319 -20.465 1.00 31.23 O ATOM 810 CB GLU B 21 0.996 -3.610 -22.118 1.00 71.24 C ATOM 811 CG GLU B 21 1.842 -4.397 -23.121 1.00 75.14 C ATOM 812 CD GLU B 21 1.390 -4.119 -24.557 1.00 10.25 C ATOM 813 OE1 GLU B 21 0.333 -4.610 -24.980 1.00 53.02 O ATOM 814 OE2 GLU B 21 2.181 -3.363 -25.240 1.00 52.03 O ATOM 0 H GLU B 21 3.268 -3.386 -21.141 1.00 2.51 H new ATOM 0 HA GLU B 21 0.672 -3.454 -20.019 1.00 23.14 H new ATOM 0 HB2 GLU B 21 -0.062 -3.781 -22.316 1.00 71.24 H new ATOM 0 HB3 GLU B 21 1.175 -2.542 -22.245 1.00 71.24 H new ATOM 0 HG2 GLU B 21 2.892 -4.127 -23.008 1.00 75.14 H new ATOM 0 HG3 GLU B 21 1.763 -5.464 -22.911 1.00 75.14 H new ATOM 821 N GLY B 22 -0.214 -5.833 -20.281 1.00 24.31 N ATOM 822 CA GLY B 22 -0.614 -7.212 -20.062 1.00 65.41 C ATOM 823 C GLY B 22 -2.051 -7.448 -20.531 1.00 11.52 C ATOM 824 O GLY B 22 -2.821 -6.500 -20.681 1.00 70.33 O ATOM 0 H GLY B 22 -0.981 -5.161 -20.281 1.00 24.31 H new ATOM 0 HA2 GLY B 22 0.061 -7.879 -20.597 1.00 65.41 H new ATOM 0 HA3 GLY B 22 -0.529 -7.455 -19.003 1.00 65.41 H new ATOM 828 N GLY B 23 -2.368 -8.715 -20.748 1.00 60.33 N ATOM 829 CA GLY B 23 -3.699 -9.087 -21.198 1.00 72.11 C ATOM 830 C GLY B 23 -4.644 -9.283 -20.010 1.00 61.31 C ATOM 831 O GLY B 23 -5.279 -10.328 -19.883 1.00 25.42 O ATOM 0 H GLY B 23 -1.726 -9.498 -20.621 1.00 60.33 H new ATOM 0 HA2 GLY B 23 -4.093 -8.314 -21.857 1.00 72.11 H new ATOM 0 HA3 GLY B 23 -3.646 -10.007 -21.781 1.00 72.11 H new ATOM 835 N GLY B 24 -4.706 -8.260 -19.170 1.00 34.23 N ATOM 836 CA GLY B 24 -5.563 -8.307 -17.997 1.00 14.30 C ATOM 837 C GLY B 24 -6.319 -6.988 -17.818 1.00 52.02 C ATOM 838 O GLY B 24 -6.393 -6.180 -18.742 1.00 73.43 O ATOM 0 H GLY B 24 -4.177 -7.394 -19.278 1.00 34.23 H new ATOM 0 HA2 GLY B 24 -6.274 -9.128 -18.094 1.00 14.30 H new ATOM 0 HA3 GLY B 24 -4.962 -8.509 -17.111 1.00 14.30 H new ATOM 842 N THR B 25 -6.862 -6.812 -16.622 1.00 25.20 N ATOM 843 CA THR B 25 -7.608 -5.607 -16.309 1.00 13.43 C ATOM 844 C THR B 25 -7.005 -4.905 -15.090 1.00 72.41 C ATOM 845 O THR B 25 -6.446 -5.557 -14.209 1.00 70.15 O ATOM 846 CB THR B 25 -9.076 -5.995 -16.121 1.00 11.43 C ATOM 847 OG1 THR B 25 -9.508 -6.365 -17.428 1.00 5.21 O ATOM 848 CG2 THR B 25 -9.958 -4.797 -15.763 1.00 1.13 C ATOM 0 H THR B 25 -6.799 -7.485 -15.858 1.00 25.20 H new ATOM 0 HA THR B 25 -7.548 -4.884 -17.123 1.00 13.43 H new ATOM 0 HB THR B 25 -9.154 -6.750 -15.338 1.00 11.43 H new ATOM 0 HG1 THR B 25 -10.450 -6.633 -17.398 1.00 5.21 H new ATOM 0 HG21 THR B 25 -10.989 -5.128 -15.641 1.00 1.13 H new ATOM 0 HG22 THR B 25 -9.607 -4.352 -14.832 1.00 1.13 H new ATOM 0 HG23 THR B 25 -9.907 -4.056 -16.561 1.00 1.13 H new ATOM 856 N LEU B 26 -7.138 -3.587 -15.079 1.00 12.12 N ATOM 857 CA LEU B 26 -6.614 -2.791 -13.984 1.00 24.34 C ATOM 858 C LEU B 26 -7.757 -2.412 -13.040 1.00 70.14 C ATOM 859 O LEU B 26 -8.232 -1.277 -13.060 1.00 23.30 O ATOM 860 CB LEU B 26 -5.834 -1.589 -14.520 1.00 53.22 C ATOM 861 CG LEU B 26 -4.508 -1.905 -15.216 1.00 22.24 C ATOM 862 CD1 LEU B 26 -3.716 -0.626 -15.493 1.00 52.05 C ATOM 863 CD2 LEU B 26 -3.695 -2.919 -14.409 1.00 44.14 C ATOM 0 H LEU B 26 -7.602 -3.050 -15.812 1.00 12.12 H new ATOM 0 HA LEU B 26 -5.899 -3.371 -13.401 1.00 24.34 H new ATOM 0 HB2 LEU B 26 -6.471 -1.052 -15.223 1.00 53.22 H new ATOM 0 HB3 LEU B 26 -5.633 -0.912 -13.690 1.00 53.22 H new ATOM 0 HG LEU B 26 -4.728 -2.362 -16.181 1.00 22.24 H new ATOM 0 HD11 LEU B 26 -2.778 -0.879 -15.988 1.00 52.05 H new ATOM 0 HD12 LEU B 26 -4.300 0.032 -16.137 1.00 52.05 H new ATOM 0 HD13 LEU B 26 -3.504 -0.118 -14.552 1.00 52.05 H new ATOM 0 HD21 LEU B 26 -2.757 -3.127 -14.925 1.00 44.14 H new ATOM 0 HD22 LEU B 26 -3.483 -2.511 -13.421 1.00 44.14 H new ATOM 0 HD23 LEU B 26 -4.265 -3.843 -14.306 1.00 44.14 H new ATOM 875 N VAL B 27 -8.165 -3.382 -12.237 1.00 31.42 N ATOM 876 CA VAL B 27 -9.245 -3.165 -11.288 1.00 44.11 C ATOM 877 C VAL B 27 -8.691 -2.459 -10.048 1.00 15.40 C ATOM 878 O VAL B 27 -7.507 -2.577 -9.738 1.00 1.24 O ATOM 879 CB VAL B 27 -9.932 -4.492 -10.964 1.00 3.13 C ATOM 880 CG1 VAL B 27 -10.565 -4.456 -9.572 1.00 24.05 C ATOM 881 CG2 VAL B 27 -10.971 -4.845 -12.030 1.00 33.34 C ATOM 0 H VAL B 27 -7.768 -4.321 -12.223 1.00 31.42 H new ATOM 0 HA VAL B 27 -10.009 -2.517 -11.718 1.00 44.11 H new ATOM 0 HB VAL B 27 -9.171 -5.273 -10.966 1.00 3.13 H new ATOM 0 HG11 VAL B 27 -11.047 -5.412 -9.367 1.00 24.05 H new ATOM 0 HG12 VAL B 27 -9.792 -4.271 -8.826 1.00 24.05 H new ATOM 0 HG13 VAL B 27 -11.307 -3.659 -9.530 1.00 24.05 H new ATOM 0 HG21 VAL B 27 -11.445 -5.793 -11.776 1.00 33.34 H new ATOM 0 HG22 VAL B 27 -11.727 -4.061 -12.074 1.00 33.34 H new ATOM 0 HG23 VAL B 27 -10.482 -4.932 -13.000 1.00 33.34 H new ATOM 891 N CYS B 28 -9.577 -1.742 -9.371 1.00 44.45 N ATOM 892 CA CYS B 28 -9.193 -1.016 -8.172 1.00 30.51 C ATOM 893 C CYS B 28 -10.466 -0.605 -7.431 1.00 11.12 C ATOM 894 O CYS B 28 -11.433 -0.162 -8.049 1.00 44.40 O ATOM 895 CB CYS B 28 -8.308 0.187 -8.497 1.00 43.24 C ATOM 896 SG CYS B 28 -9.181 1.593 -9.280 1.00 21.24 S ATOM 0 H CYS B 28 -10.559 -1.649 -9.630 1.00 44.45 H new ATOM 0 HA CYS B 28 -8.593 -1.661 -7.531 1.00 30.51 H new ATOM 0 HB2 CYS B 28 -7.840 0.535 -7.576 1.00 43.24 H new ATOM 0 HB3 CYS B 28 -7.506 -0.138 -9.159 1.00 43.24 H new ATOM 901 N CYS B 29 -10.427 -0.766 -6.117 1.00 25.11 N ATOM 902 CA CYS B 29 -11.566 -0.417 -5.285 1.00 1.40 C ATOM 903 C CYS B 29 -12.828 -0.990 -5.932 1.00 72.32 C ATOM 904 O CYS B 29 -13.681 -0.242 -6.406 1.00 61.23 O ATOM 905 CB CYS B 29 -11.669 1.095 -5.073 1.00 41.43 C ATOM 906 SG CYS B 29 -12.095 2.052 -6.574 1.00 55.02 S ATOM 0 H CYS B 29 -9.624 -1.134 -5.607 1.00 25.11 H new ATOM 0 HA CYS B 29 -11.440 -0.849 -4.292 1.00 1.40 H new ATOM 0 HB2 CYS B 29 -12.421 1.290 -4.309 1.00 41.43 H new ATOM 0 HB3 CYS B 29 -10.718 1.459 -4.685 1.00 41.43 H new ATOM 911 N GLY B 30 -12.906 -2.313 -5.932 1.00 62.05 N ATOM 912 CA GLY B 30 -14.049 -2.995 -6.515 1.00 20.41 C ATOM 913 C GLY B 30 -14.553 -2.258 -7.756 1.00 52.03 C ATOM 914 O GLY B 30 -15.754 -2.232 -8.023 1.00 31.43 O ATOM 0 H GLY B 30 -12.196 -2.930 -5.538 1.00 62.05 H new ATOM 0 HA2 GLY B 30 -13.771 -4.015 -6.781 1.00 20.41 H new ATOM 0 HA3 GLY B 30 -14.850 -3.064 -5.779 1.00 20.41 H new ATOM 918 N GLU B 31 -13.611 -1.675 -8.483 1.00 72.32 N ATOM 919 CA GLU B 31 -13.946 -0.940 -9.691 1.00 63.11 C ATOM 920 C GLU B 31 -12.897 -1.196 -10.776 1.00 71.02 C ATOM 921 O GLU B 31 -12.142 -2.164 -10.697 1.00 41.43 O ATOM 922 CB GLU B 31 -14.080 0.556 -9.402 1.00 1.44 C ATOM 923 CG GLU B 31 -15.512 1.036 -9.649 1.00 70.12 C ATOM 924 CD GLU B 31 -15.629 1.737 -11.003 1.00 2.30 C ATOM 925 OE1 GLU B 31 -15.216 2.899 -11.138 1.00 1.21 O ATOM 926 OE2 GLU B 31 -16.171 1.032 -11.938 1.00 11.41 O ATOM 0 H GLU B 31 -12.616 -1.697 -8.259 1.00 72.32 H new ATOM 0 HA GLU B 31 -14.911 -1.295 -10.054 1.00 63.11 H new ATOM 0 HB2 GLU B 31 -13.798 0.757 -8.368 1.00 1.44 H new ATOM 0 HB3 GLU B 31 -13.391 1.115 -10.035 1.00 1.44 H new ATOM 0 HG2 GLU B 31 -16.195 0.187 -9.615 1.00 70.12 H new ATOM 0 HG3 GLU B 31 -15.813 1.719 -8.855 1.00 70.12 H new ATOM 933 N ASP B 32 -12.886 -0.313 -11.763 1.00 41.32 N ATOM 934 CA ASP B 32 -11.944 -0.432 -12.862 1.00 42.32 C ATOM 935 C ASP B 32 -11.300 0.931 -13.126 1.00 25.15 C ATOM 936 O ASP B 32 -11.939 1.829 -13.671 1.00 70.25 O ATOM 937 CB ASP B 32 -12.647 -0.878 -14.146 1.00 0.24 C ATOM 938 CG ASP B 32 -11.736 -1.025 -15.366 1.00 25.35 C ATOM 939 OD1 ASP B 32 -10.686 -1.753 -15.178 1.00 14.41 O ATOM 940 OD2 ASP B 32 -12.012 -0.472 -16.441 1.00 34.14 O ATOM 0 H ASP B 32 -13.515 0.488 -11.825 1.00 41.32 H new ATOM 0 HA ASP B 32 -11.195 -1.174 -12.584 1.00 42.32 H new ATOM 0 HB2 ASP B 32 -13.137 -1.834 -13.960 1.00 0.24 H new ATOM 0 HB3 ASP B 32 -13.431 -0.158 -14.382 1.00 0.24 H new ATOM 945 N MET B 33 -10.041 1.043 -12.725 1.00 74.25 N ATOM 946 CA MET B 33 -9.303 2.280 -12.911 1.00 15.30 C ATOM 947 C MET B 33 -9.512 2.837 -14.321 1.00 61.42 C ATOM 948 O MET B 33 -9.957 2.118 -15.216 1.00 4.50 O ATOM 949 CB MET B 33 -7.813 2.028 -12.677 1.00 33.45 C ATOM 950 CG MET B 33 -7.253 2.985 -11.624 1.00 0.24 C ATOM 951 SD MET B 33 -5.644 2.431 -11.088 1.00 64.40 S ATOM 952 CE MET B 33 -4.606 3.388 -12.180 1.00 54.43 C ATOM 0 H MET B 33 -9.514 0.296 -12.272 1.00 74.25 H new ATOM 0 HA MET B 33 -9.673 3.012 -12.193 1.00 15.30 H new ATOM 0 HB2 MET B 33 -7.661 0.998 -12.355 1.00 33.45 H new ATOM 0 HB3 MET B 33 -7.268 2.153 -13.613 1.00 33.45 H new ATOM 0 HG2 MET B 33 -7.181 3.991 -12.037 1.00 0.24 H new ATOM 0 HG3 MET B 33 -7.931 3.038 -10.772 1.00 0.24 H new ATOM 0 HE1 MET B 33 -4.222 2.746 -12.972 1.00 54.43 H new ATOM 0 HE2 MET B 33 -5.189 4.197 -12.620 1.00 54.43 H new ATOM 0 HE3 MET B 33 -3.773 3.806 -11.616 1.00 54.43 H new ATOM 962 N VAL B 34 -9.180 4.110 -14.476 1.00 41.14 N ATOM 963 CA VAL B 34 -9.324 4.770 -15.763 1.00 14.33 C ATOM 964 C VAL B 34 -7.938 5.043 -16.349 1.00 63.24 C ATOM 965 O VAL B 34 -6.937 4.988 -15.637 1.00 11.13 O ATOM 966 CB VAL B 34 -10.169 6.036 -15.609 1.00 2.13 C ATOM 967 CG1 VAL B 34 -10.653 6.541 -16.969 1.00 13.13 C ATOM 968 CG2 VAL B 34 -11.346 5.798 -14.661 1.00 11.20 C ATOM 0 H VAL B 34 -8.812 4.702 -13.732 1.00 41.14 H new ATOM 0 HA VAL B 34 -9.852 4.126 -16.466 1.00 14.33 H new ATOM 0 HB VAL B 34 -9.538 6.809 -15.171 1.00 2.13 H new ATOM 0 HG11 VAL B 34 -11.251 7.442 -16.831 1.00 13.13 H new ATOM 0 HG12 VAL B 34 -9.793 6.769 -17.599 1.00 13.13 H new ATOM 0 HG13 VAL B 34 -11.260 5.772 -17.448 1.00 13.13 H new ATOM 0 HG21 VAL B 34 -11.930 6.714 -14.569 1.00 11.20 H new ATOM 0 HG22 VAL B 34 -11.977 5.003 -15.057 1.00 11.20 H new ATOM 0 HG23 VAL B 34 -10.970 5.508 -13.680 1.00 11.20 H new ATOM 978 N LYS B 35 -7.924 5.332 -17.642 1.00 31.24 N ATOM 979 CA LYS B 35 -6.677 5.614 -18.332 1.00 52.43 C ATOM 980 C LYS B 35 -6.695 7.059 -18.839 1.00 24.52 C ATOM 981 O LYS B 35 -7.697 7.516 -19.386 1.00 73.12 O ATOM 982 CB LYS B 35 -6.428 4.581 -19.433 1.00 32.54 C ATOM 983 CG LYS B 35 -7.001 5.053 -20.770 1.00 54.45 C ATOM 984 CD LYS B 35 -5.942 5.795 -21.588 1.00 55.41 C ATOM 985 CE LYS B 35 -4.954 4.815 -22.223 1.00 72.13 C ATOM 986 NZ LYS B 35 -4.074 5.515 -23.186 1.00 1.44 N ATOM 0 H LYS B 35 -8.756 5.377 -18.230 1.00 31.24 H new ATOM 0 HA LYS B 35 -5.834 5.525 -17.646 1.00 52.43 H new ATOM 0 HB2 LYS B 35 -5.357 4.404 -19.535 1.00 32.54 H new ATOM 0 HB3 LYS B 35 -6.883 3.631 -19.154 1.00 32.54 H new ATOM 0 HG2 LYS B 35 -7.368 4.196 -21.335 1.00 54.45 H new ATOM 0 HG3 LYS B 35 -7.854 5.708 -20.593 1.00 54.45 H new ATOM 0 HD2 LYS B 35 -6.426 6.385 -22.367 1.00 55.41 H new ATOM 0 HD3 LYS B 35 -5.405 6.494 -20.946 1.00 55.41 H new ATOM 0 HE2 LYS B 35 -4.351 4.344 -21.447 1.00 72.13 H new ATOM 0 HE3 LYS B 35 -5.498 4.019 -22.731 1.00 72.13 H new ATOM 0 HZ1 LYS B 35 -3.145 5.049 -23.209 1.00 1.44 H new ATOM 0 HZ2 LYS B 35 -4.501 5.483 -24.134 1.00 1.44 H new ATOM 0 HZ3 LYS B 35 -3.957 6.506 -22.892 1.00 1.44 H new ATOM 999 N GLN B 36 -5.574 7.736 -18.637 1.00 71.12 N ATOM 1000 CA GLN B 36 -5.448 9.118 -19.067 1.00 13.24 C ATOM 1001 C GLN B 36 -4.798 9.188 -20.449 1.00 44.23 C ATOM 1002 O GLN B 36 -4.048 10.119 -20.740 1.00 60.22 O ATOM 1003 CB GLN B 36 -4.657 9.939 -18.046 1.00 34.45 C ATOM 1004 CG GLN B 36 -4.678 9.270 -16.670 1.00 1.03 C ATOM 1005 CD GLN B 36 -6.108 9.147 -16.141 1.00 12.10 C ATOM 1006 OE1 GLN B 36 -6.559 7.897 -16.086 1.00 31.02 O flip ATOM 1007 NE2 GLN B 36 -6.760 10.123 -15.807 1.00 11.14 N flip ATOM 0 H GLN B 36 -4.745 7.353 -18.182 1.00 71.12 H new ATOM 0 HA GLN B 36 -6.447 9.549 -19.136 1.00 13.24 H new ATOM 0 HB2 GLN B 36 -3.627 10.051 -18.384 1.00 34.45 H new ATOM 0 HB3 GLN B 36 -5.080 10.941 -17.974 1.00 34.45 H new ATOM 0 HG2 GLN B 36 -4.225 8.281 -16.736 1.00 1.03 H new ATOM 0 HG3 GLN B 36 -4.077 9.850 -15.970 1.00 1.03 H new ATOM 0 HE21 GLN B 36 -6.353 11.056 -15.875 1.00 11.14 H new ATOM 0 HE22 GLN B 36 -7.712 10.006 -15.460 1.00 11.14 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.874 -9.926 -15.158 1.00 44.15 ZN HETATM 1018 ZN ZN B 37 -10.488 2.861 -7.820 1.00 70.12 ZN