USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.962 K(o=-0.96,f=-1.8) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 82:sc= -0.473! USER MOD Single : A 15 THR OG1 : rot 140:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -2.32 F(o=-3.5,f=-2.3) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -0.734 F(o=-1.5,f=-0.73) USER MOD Single : A 29 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.17) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : A 47 THR OG1 : rot -80:sc= -0.324 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.402 K(o=0.4,f=-13!) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= -0.011 (180deg=-0.0283) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.101 -1.358 -1.110 1.00 62.42 N ATOM 2 CA GLY A 1 2.856 -0.130 -1.278 1.00 61.44 C ATOM 3 C GLY A 1 2.382 0.973 -0.354 1.00 14.13 C ATOM 4 O GLY A 1 2.643 0.941 0.849 1.00 13.34 O ATOM 0 H1 GLY A 1 2.464 -2.081 -1.764 1.00 62.42 H new ATOM 0 H2 GLY A 1 2.200 -1.696 -0.131 1.00 62.42 H new ATOM 0 H3 GLY A 1 1.097 -1.179 -1.314 1.00 62.42 H new ATOM 0 HA2 GLY A 1 3.911 -0.328 -1.091 1.00 61.44 H new ATOM 0 HA3 GLY A 1 2.773 0.205 -2.312 1.00 61.44 H new ATOM 8 N THR A 2 1.683 1.955 -0.916 1.00 31.42 N ATOM 9 CA THR A 2 1.173 3.075 -0.135 1.00 24.54 C ATOM 10 C THR A 2 -0.167 3.558 -0.677 1.00 4.54 C ATOM 11 O THR A 2 -0.525 3.308 -1.827 1.00 73.54 O ATOM 12 CB THR A 2 2.167 4.252 -0.127 1.00 34.12 C ATOM 13 OG1 THR A 2 3.023 4.178 -1.272 1.00 51.21 O ATOM 14 CG2 THR A 2 3.006 4.243 1.142 1.00 41.32 C ATOM 0 H THR A 2 1.457 1.997 -1.910 1.00 31.42 H new ATOM 0 HA THR A 2 1.040 2.715 0.885 1.00 24.54 H new ATOM 0 HB THR A 2 1.597 5.181 -0.160 1.00 34.12 H new ATOM 0 HG1 THR A 2 3.651 4.931 -1.260 1.00 51.21 H new ATOM 0 HG21 THR A 2 3.700 5.083 1.125 1.00 41.32 H new ATOM 0 HG22 THR A 2 2.353 4.329 2.010 1.00 41.32 H new ATOM 0 HG23 THR A 2 3.567 3.310 1.201 1.00 41.32 H new ATOM 22 N PRO A 3 -0.926 4.270 0.170 1.00 70.04 N ATOM 23 CA PRO A 3 -2.239 4.805 -0.204 1.00 4.34 C ATOM 24 C PRO A 3 -2.135 5.939 -1.218 1.00 71.24 C ATOM 25 O PRO A 3 -1.062 6.505 -1.424 1.00 44.14 O ATOM 26 CB PRO A 3 -2.800 5.324 1.122 1.00 11.44 C ATOM 27 CG PRO A 3 -1.599 5.621 1.952 1.00 20.23 C ATOM 28 CD PRO A 3 -0.561 4.607 1.556 1.00 54.11 C ATOM 0 HA PRO A 3 -2.865 4.052 -0.683 1.00 4.34 H new ATOM 0 HB2 PRO A 3 -3.408 6.216 0.972 1.00 11.44 H new ATOM 0 HB3 PRO A 3 -3.437 4.580 1.600 1.00 11.44 H new ATOM 0 HG2 PRO A 3 -1.242 6.635 1.773 1.00 20.23 H new ATOM 0 HG3 PRO A 3 -1.831 5.548 3.014 1.00 20.23 H new ATOM 0 HD2 PRO A 3 0.447 5.018 1.618 1.00 54.11 H new ATOM 0 HD3 PRO A 3 -0.588 3.730 2.203 1.00 54.11 H new ATOM 36 N VAL A 4 -3.258 6.266 -1.850 1.00 71.21 N ATOM 37 CA VAL A 4 -3.294 7.333 -2.843 1.00 1.23 C ATOM 38 C VAL A 4 -3.971 8.580 -2.285 1.00 33.22 C ATOM 39 O VAL A 4 -4.930 8.488 -1.519 1.00 4.32 O ATOM 40 CB VAL A 4 -4.033 6.888 -4.119 1.00 3.41 C ATOM 41 CG1 VAL A 4 -3.243 5.810 -4.845 1.00 31.23 C ATOM 42 CG2 VAL A 4 -5.433 6.399 -3.780 1.00 43.13 C ATOM 0 H VAL A 4 -4.155 5.807 -1.692 1.00 71.21 H new ATOM 0 HA VAL A 4 -2.259 7.566 -3.095 1.00 1.23 H new ATOM 0 HB VAL A 4 -4.124 7.747 -4.784 1.00 3.41 H new ATOM 0 HG11 VAL A 4 -3.781 5.508 -5.744 1.00 31.23 H new ATOM 0 HG12 VAL A 4 -2.264 6.201 -5.122 1.00 31.23 H new ATOM 0 HG13 VAL A 4 -3.118 4.948 -4.190 1.00 31.23 H new ATOM 0 HG21 VAL A 4 -5.941 6.089 -4.693 1.00 43.13 H new ATOM 0 HG22 VAL A 4 -5.367 5.553 -3.096 1.00 43.13 H new ATOM 0 HG23 VAL A 4 -5.995 7.205 -3.308 1.00 43.13 H new ATOM 52 N GLY A 5 -3.466 9.746 -2.675 1.00 53.33 N ATOM 53 CA GLY A 5 -4.035 10.996 -2.205 1.00 32.32 C ATOM 54 C GLY A 5 -5.443 11.222 -2.719 1.00 61.15 C ATOM 55 O GLY A 5 -6.189 10.270 -2.945 1.00 64.03 O ATOM 0 H GLY A 5 -2.673 9.848 -3.308 1.00 53.33 H new ATOM 0 HA2 GLY A 5 -4.044 11.000 -1.115 1.00 32.32 H new ATOM 0 HA3 GLY A 5 -3.399 11.823 -2.521 1.00 32.32 H new ATOM 59 N ASN A 6 -5.808 12.487 -2.904 1.00 22.42 N ATOM 60 CA ASN A 6 -7.137 12.835 -3.393 1.00 2.01 C ATOM 61 C ASN A 6 -7.103 13.147 -4.886 1.00 24.30 C ATOM 62 O ASN A 6 -8.017 12.787 -5.626 1.00 41.34 O ATOM 63 CB ASN A 6 -7.688 14.036 -2.622 1.00 41.42 C ATOM 64 CG ASN A 6 -8.233 13.650 -1.261 1.00 71.50 C ATOM 65 OD1 ASN A 6 -9.273 12.998 -1.159 1.00 1.43 O ATOM 66 ND2 ASN A 6 -7.531 14.050 -0.207 1.00 55.11 N ATOM 0 H ASN A 6 -5.202 13.287 -2.723 1.00 22.42 H new ATOM 0 HA ASN A 6 -7.792 11.978 -3.234 1.00 2.01 H new ATOM 0 HB2 ASN A 6 -6.898 14.777 -2.497 1.00 41.42 H new ATOM 0 HB3 ASN A 6 -8.478 14.508 -3.206 1.00 41.42 H new ATOM 0 HD21 ASN A 6 -7.848 13.819 0.734 1.00 55.11 H new ATOM 0 HD22 ASN A 6 -6.675 14.588 -0.339 1.00 55.11 H new ATOM 73 N ASN A 7 -6.041 13.817 -5.321 1.00 3.43 N ATOM 74 CA ASN A 7 -5.887 14.178 -6.725 1.00 63.35 C ATOM 75 C ASN A 7 -6.062 12.956 -7.623 1.00 12.33 C ATOM 76 O ASN A 7 -5.285 12.004 -7.554 1.00 3.14 O ATOM 77 CB ASN A 7 -4.513 14.807 -6.965 1.00 24.25 C ATOM 78 CG ASN A 7 -4.355 16.138 -6.255 1.00 50.15 C ATOM 79 OD1 ASN A 7 -3.919 16.194 -5.105 1.00 73.34 O ATOM 80 ND2 ASN A 7 -4.710 17.219 -6.941 1.00 32.24 N ATOM 0 H ASN A 7 -5.274 14.121 -4.721 1.00 3.43 H new ATOM 0 HA ASN A 7 -6.660 14.905 -6.974 1.00 63.35 H new ATOM 0 HB2 ASN A 7 -3.738 14.121 -6.623 1.00 24.25 H new ATOM 0 HB3 ASN A 7 -4.363 14.949 -8.035 1.00 24.25 H new ATOM 0 HD21 ASN A 7 -4.626 18.143 -6.517 1.00 32.24 H new ATOM 0 HD22 ASN A 7 -5.067 17.125 -7.892 1.00 32.24 H new ATOM 87 N LYS A 8 -7.089 12.991 -8.465 1.00 61.34 N ATOM 88 CA LYS A 8 -7.367 11.889 -9.379 1.00 31.33 C ATOM 89 C LYS A 8 -6.330 11.833 -10.496 1.00 21.43 C ATOM 90 O LYS A 8 -6.148 10.797 -11.137 1.00 30.15 O ATOM 91 CB LYS A 8 -8.768 12.036 -9.976 1.00 73.33 C ATOM 92 CG LYS A 8 -9.881 11.946 -8.947 1.00 32.34 C ATOM 93 CD LYS A 8 -11.003 11.034 -9.416 1.00 4.11 C ATOM 94 CE LYS A 8 -12.130 10.967 -8.397 1.00 1.21 C ATOM 95 NZ LYS A 8 -13.017 9.794 -8.628 1.00 32.34 N ATOM 0 H LYS A 8 -7.743 13.771 -8.534 1.00 61.34 H new ATOM 0 HA LYS A 8 -7.315 10.959 -8.813 1.00 31.33 H new ATOM 0 HB2 LYS A 8 -8.836 12.995 -10.489 1.00 73.33 H new ATOM 0 HB3 LYS A 8 -8.916 11.261 -10.728 1.00 73.33 H new ATOM 0 HG2 LYS A 8 -9.478 11.573 -8.005 1.00 32.34 H new ATOM 0 HG3 LYS A 8 -10.278 12.942 -8.752 1.00 32.34 H new ATOM 0 HD2 LYS A 8 -11.393 11.395 -10.368 1.00 4.11 H new ATOM 0 HD3 LYS A 8 -10.610 10.033 -9.592 1.00 4.11 H new ATOM 0 HE2 LYS A 8 -11.709 10.912 -7.393 1.00 1.21 H new ATOM 0 HE3 LYS A 8 -12.719 11.883 -8.446 1.00 1.21 H new ATOM 0 HZ1 LYS A 8 -13.772 9.784 -7.913 1.00 32.34 H new ATOM 0 HZ2 LYS A 8 -13.439 9.859 -9.576 1.00 32.34 H new ATOM 0 HZ3 LYS A 8 -12.460 8.918 -8.556 1.00 32.34 H new ATOM 109 N CYS A 9 -5.651 12.952 -10.723 1.00 61.01 N ATOM 110 CA CYS A 9 -4.631 13.031 -11.762 1.00 22.53 C ATOM 111 C CYS A 9 -5.170 12.516 -13.093 1.00 64.34 C ATOM 112 O CYS A 9 -4.873 11.393 -13.502 1.00 41.01 O ATOM 113 CB CYS A 9 -3.395 12.226 -11.354 1.00 1.32 C ATOM 114 SG CYS A 9 -2.702 12.697 -9.736 1.00 40.12 S ATOM 0 H CYS A 9 -5.789 13.817 -10.201 1.00 61.01 H new ATOM 0 HA CYS A 9 -4.351 14.077 -11.884 1.00 22.53 H new ATOM 0 HB2 CYS A 9 -3.655 11.168 -11.332 1.00 1.32 H new ATOM 0 HB3 CYS A 9 -2.626 12.350 -12.117 1.00 1.32 H new ATOM 119 N TRP A 10 -5.962 13.344 -13.764 1.00 63.13 N ATOM 120 CA TRP A 10 -6.542 12.973 -15.050 1.00 62.30 C ATOM 121 C TRP A 10 -5.454 12.766 -16.099 1.00 14.34 C ATOM 122 O TRP A 10 -4.324 13.224 -15.933 1.00 14.45 O ATOM 123 CB TRP A 10 -7.523 14.048 -15.520 1.00 2.24 C ATOM 124 CG TRP A 10 -8.959 13.639 -15.392 1.00 20.31 C ATOM 125 CD1 TRP A 10 -9.564 13.104 -14.290 1.00 41.04 C ATOM 126 CD2 TRP A 10 -9.969 13.729 -16.403 1.00 1.13 C ATOM 127 NE1 TRP A 10 -10.889 12.857 -14.556 1.00 32.54 N ATOM 128 CE2 TRP A 10 -11.163 13.232 -15.844 1.00 42.11 C ATOM 129 CE3 TRP A 10 -9.982 14.183 -17.724 1.00 43.31 C ATOM 130 CZ2 TRP A 10 -12.354 13.176 -16.563 1.00 41.50 C ATOM 131 CZ3 TRP A 10 -11.165 14.127 -18.436 1.00 45.24 C ATOM 132 CH2 TRP A 10 -12.337 13.628 -17.855 1.00 35.32 C ATOM 0 H TRP A 10 -6.217 14.277 -13.439 1.00 63.13 H new ATOM 0 HA TRP A 10 -7.079 12.033 -14.920 1.00 62.30 H new ATOM 0 HB2 TRP A 10 -7.359 14.957 -14.942 1.00 2.24 H new ATOM 0 HB3 TRP A 10 -7.313 14.291 -16.562 1.00 2.24 H new ATOM 0 HD1 TRP A 10 -9.073 12.905 -13.349 1.00 41.04 H new ATOM 0 HE1 TRP A 10 -11.560 12.458 -13.900 1.00 32.54 H new ATOM 0 HE3 TRP A 10 -9.083 14.571 -18.181 1.00 43.31 H new ATOM 0 HZ2 TRP A 10 -13.259 12.790 -16.117 1.00 41.50 H new ATOM 0 HZ3 TRP A 10 -11.186 14.474 -19.458 1.00 45.24 H new ATOM 0 HH2 TRP A 10 -13.246 13.599 -18.438 1.00 35.32 H new ATOM 143 N ALA A 11 -5.803 12.074 -17.178 1.00 51.23 N ATOM 144 CA ALA A 11 -4.857 11.810 -18.255 1.00 24.43 C ATOM 145 C ALA A 11 -4.182 13.095 -18.721 1.00 55.33 C ATOM 146 O ALA A 11 -4.853 14.069 -19.065 1.00 10.21 O ATOM 147 CB ALA A 11 -5.559 11.127 -19.419 1.00 61.11 C ATOM 0 H ALA A 11 -6.734 11.686 -17.330 1.00 51.23 H new ATOM 0 HA ALA A 11 -4.084 11.144 -17.871 1.00 24.43 H new ATOM 0 HB1 ALA A 11 -4.840 10.936 -20.216 1.00 61.11 H new ATOM 0 HB2 ALA A 11 -5.987 10.183 -19.082 1.00 61.11 H new ATOM 0 HB3 ALA A 11 -6.353 11.772 -19.794 1.00 61.11 H new ATOM 153 N ILE A 12 -2.854 13.092 -18.730 1.00 62.54 N ATOM 154 CA ILE A 12 -2.090 14.258 -19.155 1.00 61.13 C ATOM 155 C ILE A 12 -2.418 14.635 -20.596 1.00 14.11 C ATOM 156 O ILE A 12 -2.230 13.840 -21.515 1.00 62.23 O ATOM 157 CB ILE A 12 -0.574 14.013 -19.033 1.00 53.34 C ATOM 158 CG1 ILE A 12 -0.227 13.517 -17.628 1.00 72.24 C ATOM 159 CG2 ILE A 12 0.195 15.285 -19.357 1.00 2.33 C ATOM 160 CD1 ILE A 12 1.255 13.303 -17.412 1.00 74.31 C ATOM 0 H ILE A 12 -2.284 12.295 -18.448 1.00 62.54 H new ATOM 0 HA ILE A 12 -2.372 15.078 -18.494 1.00 61.13 H new ATOM 0 HB ILE A 12 -0.286 13.245 -19.750 1.00 53.34 H new ATOM 0 HG12 ILE A 12 -0.592 14.238 -16.896 1.00 72.24 H new ATOM 0 HG13 ILE A 12 -0.752 12.580 -17.442 1.00 72.24 H new ATOM 0 HG21 ILE A 12 1.265 15.096 -19.267 1.00 2.33 H new ATOM 0 HG22 ILE A 12 -0.033 15.599 -20.376 1.00 2.33 H new ATOM 0 HG23 ILE A 12 -0.095 16.072 -18.661 1.00 2.33 H new ATOM 0 HD11 ILE A 12 1.427 12.952 -16.395 1.00 74.31 H new ATOM 0 HD12 ILE A 12 1.622 12.560 -18.120 1.00 74.31 H new ATOM 0 HD13 ILE A 12 1.785 14.243 -17.566 1.00 74.31 H new ATOM 172 N GLY A 13 -2.910 15.856 -20.785 1.00 42.10 N ATOM 173 CA GLY A 13 -3.255 16.319 -22.116 1.00 71.35 C ATOM 174 C GLY A 13 -4.753 16.435 -22.320 1.00 3.45 C ATOM 175 O GLY A 13 -5.211 17.002 -23.313 1.00 23.43 O ATOM 0 H GLY A 13 -3.076 16.532 -20.040 1.00 42.10 H new ATOM 0 HA2 GLY A 13 -2.791 17.290 -22.291 1.00 71.35 H new ATOM 0 HA3 GLY A 13 -2.843 15.631 -22.855 1.00 71.35 H new ATOM 179 N THR A 14 -5.520 15.897 -21.377 1.00 30.13 N ATOM 180 CA THR A 14 -6.975 15.940 -21.458 1.00 5.52 C ATOM 181 C THR A 14 -7.531 17.142 -20.704 1.00 15.45 C ATOM 182 O THR A 14 -6.790 17.878 -20.051 1.00 21.54 O ATOM 183 CB THR A 14 -7.607 14.655 -20.892 1.00 15.21 C ATOM 184 OG1 THR A 14 -6.638 13.602 -20.867 1.00 20.33 O ATOM 185 CG2 THR A 14 -8.805 14.229 -21.727 1.00 34.00 C ATOM 0 H THR A 14 -5.158 15.426 -20.548 1.00 30.13 H new ATOM 0 HA THR A 14 -7.231 16.027 -22.514 1.00 5.52 H new ATOM 0 HB THR A 14 -7.946 14.860 -19.876 1.00 15.21 H new ATOM 0 HG1 THR A 14 -6.081 13.689 -20.065 1.00 20.33 H new ATOM 0 HG21 THR A 14 -9.235 13.319 -21.308 1.00 34.00 H new ATOM 0 HG22 THR A 14 -9.554 15.021 -21.720 1.00 34.00 H new ATOM 0 HG23 THR A 14 -8.486 14.041 -22.752 1.00 34.00 H new ATOM 193 N THR A 15 -8.843 17.338 -20.796 1.00 73.43 N ATOM 194 CA THR A 15 -9.500 18.451 -20.123 1.00 22.11 C ATOM 195 C THR A 15 -9.747 18.135 -18.652 1.00 52.32 C ATOM 196 O THR A 15 -10.154 17.026 -18.305 1.00 0.25 O ATOM 197 CB THR A 15 -10.842 18.801 -20.794 1.00 25.12 C ATOM 198 OG1 THR A 15 -10.625 19.164 -22.162 1.00 31.01 O ATOM 199 CG2 THR A 15 -11.530 19.944 -20.063 1.00 61.03 C ATOM 0 H THR A 15 -9.472 16.739 -21.331 1.00 73.43 H new ATOM 0 HA THR A 15 -8.830 19.307 -20.201 1.00 22.11 H new ATOM 0 HB THR A 15 -11.486 17.923 -20.750 1.00 25.12 H new ATOM 0 HG1 THR A 15 -11.337 18.784 -22.718 1.00 31.01 H new ATOM 0 HG21 THR A 15 -12.475 20.174 -20.555 1.00 61.03 H new ATOM 0 HG22 THR A 15 -11.720 19.653 -19.030 1.00 61.03 H new ATOM 0 HG23 THR A 15 -10.889 20.825 -20.080 1.00 61.03 H new ATOM 207 N CYS A 16 -9.500 19.117 -17.791 1.00 61.15 N ATOM 208 CA CYS A 16 -9.696 18.944 -16.357 1.00 41.52 C ATOM 209 C CYS A 16 -11.113 19.338 -15.951 1.00 11.23 C ATOM 210 O CYS A 16 -11.907 19.783 -16.780 1.00 21.13 O ATOM 211 CB CYS A 16 -8.679 19.781 -15.578 1.00 51.01 C ATOM 212 SG CYS A 16 -8.760 21.567 -15.929 1.00 74.32 S ATOM 0 H CYS A 16 -9.164 20.041 -18.062 1.00 61.15 H new ATOM 0 HA CYS A 16 -9.548 17.891 -16.119 1.00 41.52 H new ATOM 0 HB2 CYS A 16 -8.837 19.624 -14.511 1.00 51.01 H new ATOM 0 HB3 CYS A 16 -7.676 19.422 -15.808 1.00 51.01 H new ATOM 217 N SER A 17 -11.423 19.171 -14.669 1.00 0.41 N ATOM 218 CA SER A 17 -12.745 19.506 -14.152 1.00 60.33 C ATOM 219 C SER A 17 -12.665 19.933 -12.690 1.00 22.42 C ATOM 220 O SER A 17 -13.649 19.854 -11.954 1.00 3.40 O ATOM 221 CB SER A 17 -13.689 18.310 -14.295 1.00 40.34 C ATOM 222 OG SER A 17 -13.783 17.893 -15.647 1.00 2.44 O ATOM 0 H SER A 17 -10.777 18.806 -13.969 1.00 0.41 H new ATOM 0 HA SER A 17 -13.135 20.340 -14.735 1.00 60.33 H new ATOM 0 HB2 SER A 17 -13.330 17.484 -13.681 1.00 40.34 H new ATOM 0 HB3 SER A 17 -14.678 18.577 -13.924 1.00 40.34 H new ATOM 0 HG SER A 17 -14.391 17.127 -15.712 1.00 2.44 H new ATOM 228 N ASP A 18 -11.486 20.384 -12.276 1.00 20.12 N ATOM 229 CA ASP A 18 -11.276 20.825 -10.902 1.00 23.43 C ATOM 230 C ASP A 18 -11.576 19.698 -9.918 1.00 10.23 C ATOM 231 O ASP A 18 -11.652 18.530 -10.300 1.00 50.40 O ATOM 232 CB ASP A 18 -12.155 22.037 -10.592 1.00 72.01 C ATOM 233 CG ASP A 18 -12.140 23.063 -11.708 1.00 11.21 C ATOM 234 OD1 ASP A 18 -11.065 23.645 -11.964 1.00 72.52 O ATOM 235 OD2 ASP A 18 -13.203 23.286 -12.324 1.00 74.34 O ATOM 0 H ASP A 18 -10.661 20.454 -12.872 1.00 20.12 H new ATOM 0 HA ASP A 18 -10.229 21.109 -10.794 1.00 23.43 H new ATOM 0 HB2 ASP A 18 -13.179 21.705 -10.421 1.00 72.01 H new ATOM 0 HB3 ASP A 18 -11.813 22.504 -9.668 1.00 72.01 H new ATOM 240 N ASP A 19 -11.745 20.057 -8.650 1.00 23.33 N ATOM 241 CA ASP A 19 -12.037 19.076 -7.610 1.00 44.34 C ATOM 242 C ASP A 19 -10.954 18.003 -7.556 1.00 70.13 C ATOM 243 O ASP A 19 -11.250 16.808 -7.521 1.00 14.23 O ATOM 244 CB ASP A 19 -13.401 18.430 -7.857 1.00 42.44 C ATOM 245 CG ASP A 19 -14.016 17.874 -6.589 1.00 31.34 C ATOM 246 OD1 ASP A 19 -13.744 16.699 -6.263 1.00 1.14 O ATOM 247 OD2 ASP A 19 -14.769 18.613 -5.921 1.00 73.22 O ATOM 0 H ASP A 19 -11.685 21.019 -8.317 1.00 23.33 H new ATOM 0 HA ASP A 19 -12.058 19.594 -6.651 1.00 44.34 H new ATOM 0 HB2 ASP A 19 -14.076 19.168 -8.291 1.00 42.44 H new ATOM 0 HB3 ASP A 19 -13.293 17.628 -8.587 1.00 42.44 H new ATOM 252 N CYS A 20 -9.698 18.436 -7.552 1.00 1.44 N ATOM 253 CA CYS A 20 -8.570 17.514 -7.504 1.00 32.34 C ATOM 254 C CYS A 20 -8.524 16.646 -8.758 1.00 21.43 C ATOM 255 O CYS A 20 -7.893 15.588 -8.771 1.00 10.54 O ATOM 256 CB CYS A 20 -8.662 16.628 -6.260 1.00 22.42 C ATOM 257 SG CYS A 20 -7.320 16.893 -5.057 1.00 45.11 S ATOM 0 H CYS A 20 -9.436 19.421 -7.581 1.00 1.44 H new ATOM 0 HA CYS A 20 -7.653 18.102 -7.456 1.00 32.34 H new ATOM 0 HB2 CYS A 20 -9.618 16.809 -5.768 1.00 22.42 H new ATOM 0 HB3 CYS A 20 -8.656 15.583 -6.570 1.00 22.42 H new ATOM 262 N ASP A 21 -9.196 17.100 -9.810 1.00 21.22 N ATOM 263 CA ASP A 21 -9.231 16.366 -11.070 1.00 1.14 C ATOM 264 C ASP A 21 -7.821 16.002 -11.526 1.00 14.40 C ATOM 265 O ASP A 21 -7.534 14.843 -11.825 1.00 61.01 O ATOM 266 CB ASP A 21 -9.931 17.195 -12.148 1.00 34.44 C ATOM 267 CG ASP A 21 -9.617 16.707 -13.548 1.00 71.12 C ATOM 268 OD1 ASP A 21 -8.598 17.152 -14.117 1.00 53.33 O ATOM 269 OD2 ASP A 21 -10.389 15.879 -14.075 1.00 53.20 O ATOM 0 H ASP A 21 -9.724 17.973 -9.816 1.00 21.22 H new ATOM 0 HA ASP A 21 -9.791 15.445 -10.910 1.00 1.14 H new ATOM 0 HB2 ASP A 21 -11.008 17.159 -11.987 1.00 34.44 H new ATOM 0 HB3 ASP A 21 -9.629 18.238 -12.054 1.00 34.44 H new ATOM 274 N CYS A 22 -6.946 17.001 -11.578 1.00 62.42 N ATOM 275 CA CYS A 22 -5.567 16.787 -11.999 1.00 44.44 C ATOM 276 C CYS A 22 -4.649 16.619 -10.792 1.00 2.11 C ATOM 277 O CYS A 22 -5.067 16.809 -9.649 1.00 63.22 O ATOM 278 CB CYS A 22 -5.087 17.959 -12.859 1.00 21.40 C ATOM 279 SG CYS A 22 -5.625 17.874 -14.597 1.00 51.54 S ATOM 0 H CYS A 22 -7.168 17.966 -11.334 1.00 62.42 H new ATOM 0 HA CYS A 22 -5.532 15.872 -12.590 1.00 44.44 H new ATOM 0 HB2 CYS A 22 -5.450 18.889 -12.422 1.00 21.40 H new ATOM 0 HB3 CYS A 22 -3.998 17.997 -12.828 1.00 21.40 H new ATOM 284 N CYS A 23 -3.396 16.262 -11.053 1.00 61.13 N ATOM 285 CA CYS A 23 -2.418 16.067 -9.990 1.00 1.42 C ATOM 286 C CYS A 23 -2.046 17.399 -9.343 1.00 64.41 C ATOM 287 O CYS A 23 -2.276 18.473 -9.898 1.00 71.05 O ATOM 288 CB CYS A 23 -1.163 15.387 -10.540 1.00 72.23 C ATOM 289 SG CYS A 23 -1.047 13.612 -10.148 1.00 34.40 S ATOM 0 H CYS A 23 -3.034 16.102 -11.993 1.00 61.13 H new ATOM 0 HA CYS A 23 -2.867 15.426 -9.231 1.00 1.42 H new ATOM 0 HB2 CYS A 23 -1.140 15.511 -11.623 1.00 72.23 H new ATOM 0 HB3 CYS A 23 -0.284 15.894 -10.142 1.00 72.23 H new ATOM 294 N PRO A 24 -1.456 17.328 -8.141 1.00 25.43 N ATOM 295 CA PRO A 24 -1.038 18.517 -7.392 1.00 61.05 C ATOM 296 C PRO A 24 0.147 19.223 -8.041 1.00 45.43 C ATOM 297 O PRO A 24 0.301 20.438 -7.917 1.00 61.10 O ATOM 298 CB PRO A 24 -0.642 17.955 -6.025 1.00 30.31 C ATOM 299 CG PRO A 24 -0.266 16.538 -6.292 1.00 52.10 C ATOM 300 CD PRO A 24 -1.150 16.081 -7.419 1.00 71.23 C ATOM 0 HA PRO A 24 -1.827 19.268 -7.347 1.00 61.05 H new ATOM 0 HB2 PRO A 24 0.191 18.511 -5.595 1.00 30.31 H new ATOM 0 HB3 PRO A 24 -1.468 18.019 -5.317 1.00 30.31 H new ATOM 0 HG2 PRO A 24 0.786 16.458 -6.564 1.00 52.10 H new ATOM 0 HG3 PRO A 24 -0.414 15.921 -5.405 1.00 52.10 H new ATOM 0 HD2 PRO A 24 -0.643 15.360 -8.060 1.00 71.23 H new ATOM 0 HD3 PRO A 24 -2.055 15.598 -7.049 1.00 71.23 H new ATOM 308 N GLU A 25 0.982 18.455 -8.734 1.00 22.42 N ATOM 309 CA GLU A 25 2.154 19.009 -9.402 1.00 20.43 C ATOM 310 C GLU A 25 1.799 19.505 -10.800 1.00 41.32 C ATOM 311 O GLU A 25 2.524 20.309 -11.388 1.00 74.03 O ATOM 312 CB GLU A 25 3.264 17.959 -9.488 1.00 34.42 C ATOM 313 CG GLU A 25 4.324 18.103 -8.409 1.00 13.30 C ATOM 314 CD GLU A 25 5.729 18.157 -8.976 1.00 2.43 C ATOM 315 OE1 GLU A 25 6.005 19.059 -9.794 1.00 4.32 O ATOM 316 OE2 GLU A 25 6.553 17.297 -8.600 1.00 40.11 O ATOM 0 H GLU A 25 0.869 17.448 -8.847 1.00 22.42 H new ATOM 0 HA GLU A 25 2.509 19.855 -8.814 1.00 20.43 H new ATOM 0 HB2 GLU A 25 2.819 16.966 -9.418 1.00 34.42 H new ATOM 0 HB3 GLU A 25 3.741 18.027 -10.466 1.00 34.42 H new ATOM 0 HG2 GLU A 25 4.133 19.010 -7.835 1.00 13.30 H new ATOM 0 HG3 GLU A 25 4.248 17.265 -7.716 1.00 13.30 H new ATOM 323 N HIS A 26 0.679 19.021 -11.327 1.00 62.45 N ATOM 324 CA HIS A 26 0.227 19.415 -12.657 1.00 62.31 C ATOM 325 C HIS A 26 -0.769 20.567 -12.573 1.00 11.12 C ATOM 326 O HIS A 26 -1.016 21.110 -11.495 1.00 50.35 O ATOM 327 CB HIS A 26 -0.411 18.225 -13.375 1.00 43.24 C ATOM 328 CG HIS A 26 0.508 17.051 -13.521 1.00 54.03 C ATOM 329 ND1 HIS A 26 1.123 16.287 -12.589 1.00 22.55 N flip ATOM 330 CD2 HIS A 26 0.889 16.542 -14.745 1.00 35.33 C flip ATOM 331 CE1 HIS A 26 1.856 15.338 -13.258 1.00 34.40 C flip ATOM 332 NE2 HIS A 26 1.698 15.514 -14.558 1.00 51.44 N flip ATOM 0 H HIS A 26 0.068 18.356 -10.854 1.00 62.45 H new ATOM 0 HA HIS A 26 1.095 19.749 -13.225 1.00 62.31 H new ATOM 0 HB2 HIS A 26 -1.300 17.914 -12.826 1.00 43.24 H new ATOM 0 HB3 HIS A 26 -0.742 18.542 -14.364 1.00 43.24 H new ATOM 0 HD2 HIS A 26 0.575 16.924 -15.705 1.00 35.33 H new ATOM 0 HE1 HIS A 26 2.463 14.573 -12.797 1.00 34.40 H new ATOM 0 HE2 HIS A 26 2.128 14.952 -15.293 1.00 51.44 H new ATOM 340 N HIS A 27 -1.338 20.936 -13.716 1.00 72.01 N ATOM 341 CA HIS A 27 -2.308 22.024 -13.771 1.00 43.32 C ATOM 342 C HIS A 27 -3.083 21.996 -15.085 1.00 64.42 C ATOM 343 O HIS A 27 -2.884 21.108 -15.916 1.00 12.43 O ATOM 344 CB HIS A 27 -1.603 23.372 -13.610 1.00 72.25 C ATOM 345 CG HIS A 27 -2.398 24.374 -12.831 1.00 24.23 C ATOM 346 ND1 HIS A 27 -2.555 25.707 -13.004 1.00 0.54 N flip ATOM 347 CD2 HIS A 27 -3.148 24.041 -11.723 1.00 5.15 C flip ATOM 348 CE1 HIS A 27 -3.389 26.151 -12.008 1.00 25.34 C flip ATOM 349 NE2 HIS A 27 -3.734 25.127 -11.249 1.00 13.33 N flip ATOM 0 H HIS A 27 -1.144 20.498 -14.616 1.00 72.01 H new ATOM 0 HA HIS A 27 -3.014 21.890 -12.951 1.00 43.32 H new ATOM 0 HB2 HIS A 27 -0.645 23.215 -13.114 1.00 72.25 H new ATOM 0 HB3 HIS A 27 -1.387 23.780 -14.597 1.00 72.25 H new ATOM 0 HD1 HIS A 27 -2.132 26.276 -13.738 1.00 0.54 H new ATOM 0 HD2 HIS A 27 -3.242 23.049 -11.308 1.00 5.15 H new ATOM 0 HE1 HIS A 27 -3.711 27.172 -11.868 1.00 25.34 H new ATOM 357 N CYS A 28 -3.966 22.971 -15.267 1.00 15.13 N ATOM 358 CA CYS A 28 -4.773 23.058 -16.478 1.00 65.43 C ATOM 359 C CYS A 28 -4.229 24.130 -17.418 1.00 3.11 C ATOM 360 O CYS A 28 -4.483 25.321 -17.232 1.00 72.44 O ATOM 361 CB CYS A 28 -6.230 23.364 -16.126 1.00 25.11 C ATOM 362 SG CYS A 28 -6.983 22.170 -14.974 1.00 44.32 S ATOM 0 H CYS A 28 -4.141 23.714 -14.590 1.00 15.13 H new ATOM 0 HA CYS A 28 -4.725 22.095 -16.986 1.00 65.43 H new ATOM 0 HB2 CYS A 28 -6.285 24.360 -15.687 1.00 25.11 H new ATOM 0 HB3 CYS A 28 -6.817 23.387 -17.044 1.00 25.11 H new ATOM 367 N HIS A 29 -3.479 23.699 -18.428 1.00 2.55 N ATOM 368 CA HIS A 29 -2.899 24.622 -19.397 1.00 54.23 C ATOM 369 C HIS A 29 -3.962 25.129 -20.368 1.00 34.35 C ATOM 370 O HIS A 29 -4.716 24.344 -20.945 1.00 24.13 O ATOM 371 CB HIS A 29 -1.770 23.940 -20.170 1.00 52.22 C ATOM 372 CG HIS A 29 -0.838 24.901 -20.841 1.00 41.40 C ATOM 373 ND1 HIS A 29 -0.359 24.716 -22.121 1.00 2.33 N ATOM 374 CD2 HIS A 29 -0.297 26.063 -20.403 1.00 35.51 C ATOM 375 CE1 HIS A 29 0.437 25.721 -22.440 1.00 43.01 C ATOM 376 NE2 HIS A 29 0.491 26.552 -21.415 1.00 1.11 N ATOM 0 H HIS A 29 -3.259 22.717 -18.596 1.00 2.55 H new ATOM 0 HA HIS A 29 -2.493 25.474 -18.852 1.00 54.23 H new ATOM 0 HB2 HIS A 29 -1.200 23.312 -19.486 1.00 52.22 H new ATOM 0 HB3 HIS A 29 -2.203 23.281 -20.923 1.00 52.22 H new ATOM 0 HD2 HIS A 29 -0.456 26.520 -19.437 1.00 35.51 H new ATOM 0 HE1 HIS A 29 0.956 25.842 -23.380 1.00 43.01 H new ATOM 0 HE2 HIS A 29 1.031 27.417 -21.381 1.00 1.11 H new ATOM 384 N CYS A 30 -4.018 26.445 -20.542 1.00 34.21 N ATOM 385 CA CYS A 30 -4.989 27.057 -21.441 1.00 33.02 C ATOM 386 C CYS A 30 -4.554 28.466 -21.834 1.00 20.22 C ATOM 387 O CYS A 30 -5.175 29.461 -21.461 1.00 12.13 O ATOM 388 CB CYS A 30 -6.369 27.103 -20.780 1.00 44.14 C ATOM 389 SG CYS A 30 -7.750 26.764 -21.919 1.00 2.21 S ATOM 0 H CYS A 30 -3.402 27.108 -20.072 1.00 34.21 H new ATOM 0 HA CYS A 30 -5.046 26.448 -22.343 1.00 33.02 H new ATOM 0 HB2 CYS A 30 -6.395 26.377 -19.968 1.00 44.14 H new ATOM 0 HB3 CYS A 30 -6.514 28.087 -20.333 1.00 44.14 H new ATOM 394 N PRO A 31 -3.461 28.553 -22.606 1.00 5.44 N ATOM 395 CA PRO A 31 -2.918 29.835 -23.067 1.00 22.41 C ATOM 396 C PRO A 31 -3.818 30.509 -24.097 1.00 33.45 C ATOM 397 O PRO A 31 -4.909 30.022 -24.394 1.00 43.13 O ATOM 398 CB PRO A 31 -1.580 29.446 -23.700 1.00 65.40 C ATOM 399 CG PRO A 31 -1.753 28.023 -24.108 1.00 42.44 C ATOM 400 CD PRO A 31 -2.670 27.408 -23.088 1.00 11.42 C ATOM 0 HA PRO A 31 -2.828 30.555 -22.254 1.00 22.41 H new ATOM 0 HB2 PRO A 31 -1.349 30.078 -24.557 1.00 65.40 H new ATOM 0 HB3 PRO A 31 -0.759 29.558 -22.991 1.00 65.40 H new ATOM 0 HG2 PRO A 31 -2.180 27.953 -25.109 1.00 42.44 H new ATOM 0 HG3 PRO A 31 -0.794 27.505 -24.133 1.00 42.44 H new ATOM 0 HD2 PRO A 31 -3.304 26.639 -23.529 1.00 11.42 H new ATOM 0 HD3 PRO A 31 -2.112 26.936 -22.279 1.00 11.42 H new ATOM 408 N ALA A 32 -3.354 31.630 -24.637 1.00 55.53 N ATOM 409 CA ALA A 32 -4.117 32.370 -25.636 1.00 33.54 C ATOM 410 C ALA A 32 -3.609 32.076 -27.043 1.00 20.20 C ATOM 411 O ALA A 32 -2.426 31.803 -27.242 1.00 1.30 O ATOM 412 CB ALA A 32 -4.053 33.863 -25.350 1.00 61.41 C ATOM 0 H ALA A 32 -2.454 32.047 -24.400 1.00 55.53 H new ATOM 0 HA ALA A 32 -5.156 32.045 -25.578 1.00 33.54 H new ATOM 0 HB1 ALA A 32 -4.627 34.403 -26.103 1.00 61.41 H new ATOM 0 HB2 ALA A 32 -4.471 34.063 -24.363 1.00 61.41 H new ATOM 0 HB3 ALA A 32 -3.015 34.195 -25.378 1.00 61.41 H new ATOM 418 N GLY A 33 -4.512 32.132 -28.017 1.00 40.44 N ATOM 419 CA GLY A 33 -4.135 31.869 -29.394 1.00 14.10 C ATOM 420 C GLY A 33 -4.632 32.939 -30.346 1.00 12.12 C ATOM 421 O GLY A 33 -5.789 33.354 -30.277 1.00 34.22 O ATOM 0 H GLY A 33 -5.498 32.355 -27.877 1.00 40.44 H new ATOM 0 HA2 GLY A 33 -3.049 31.801 -29.464 1.00 14.10 H new ATOM 0 HA3 GLY A 33 -4.535 30.902 -29.699 1.00 14.10 H new ATOM 425 N LYS A 34 -3.755 33.390 -31.237 1.00 34.53 N ATOM 426 CA LYS A 34 -4.110 34.419 -32.207 1.00 62.50 C ATOM 427 C LYS A 34 -5.352 34.017 -32.997 1.00 3.24 C ATOM 428 O LYS A 34 -5.704 32.839 -33.061 1.00 44.41 O ATOM 429 CB LYS A 34 -2.943 34.669 -33.165 1.00 3.34 C ATOM 430 CG LYS A 34 -1.752 35.346 -32.508 1.00 51.42 C ATOM 431 CD LYS A 34 -1.703 36.829 -32.836 1.00 14.31 C ATOM 432 CE LYS A 34 -0.766 37.577 -31.899 1.00 73.44 C ATOM 433 NZ LYS A 34 0.650 37.153 -32.078 1.00 1.01 N ATOM 0 H LYS A 34 -2.793 33.059 -31.307 1.00 34.53 H new ATOM 0 HA LYS A 34 -4.329 35.337 -31.662 1.00 62.50 H new ATOM 0 HB2 LYS A 34 -2.621 33.718 -33.589 1.00 3.34 H new ATOM 0 HB3 LYS A 34 -3.290 35.286 -33.994 1.00 3.34 H new ATOM 0 HG2 LYS A 34 -1.807 35.213 -31.428 1.00 51.42 H new ATOM 0 HG3 LYS A 34 -0.831 34.868 -32.841 1.00 51.42 H new ATOM 0 HD2 LYS A 34 -1.373 36.964 -33.866 1.00 14.31 H new ATOM 0 HD3 LYS A 34 -2.705 37.252 -32.764 1.00 14.31 H new ATOM 0 HE2 LYS A 34 -0.850 38.649 -32.080 1.00 73.44 H new ATOM 0 HE3 LYS A 34 -1.070 37.403 -30.867 1.00 73.44 H new ATOM 0 HZ1 LYS A 34 1.257 37.685 -31.422 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 0.735 36.135 -31.881 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 0.948 37.342 -33.056 1.00 1.01 H new ATOM 447 N TRP A 35 -6.010 35.003 -33.596 1.00 22.30 N ATOM 448 CA TRP A 35 -7.212 34.751 -34.383 1.00 1.13 C ATOM 449 C TRP A 35 -8.229 33.947 -33.581 1.00 20.23 C ATOM 450 O TRP A 35 -8.226 32.715 -33.613 1.00 12.51 O ATOM 451 CB TRP A 35 -6.857 34.007 -35.671 1.00 44.21 C ATOM 452 CG TRP A 35 -8.054 33.482 -36.403 1.00 73.40 C ATOM 453 CD1 TRP A 35 -8.348 32.173 -36.660 1.00 74.11 C ATOM 454 CD2 TRP A 35 -9.117 34.253 -36.974 1.00 3.25 C ATOM 455 NE1 TRP A 35 -9.530 32.085 -37.356 1.00 62.42 N ATOM 456 CE2 TRP A 35 -10.021 33.347 -37.560 1.00 75.22 C ATOM 457 CE3 TRP A 35 -9.393 35.621 -37.044 1.00 51.22 C ATOM 458 CZ2 TRP A 35 -11.180 33.766 -38.209 1.00 1.44 C ATOM 459 CZ3 TRP A 35 -10.543 36.036 -37.688 1.00 51.04 C ATOM 460 CH2 TRP A 35 -11.425 35.111 -38.263 1.00 14.51 C ATOM 0 H TRP A 35 -5.732 35.983 -33.552 1.00 22.30 H new ATOM 0 HA TRP A 35 -7.657 35.713 -34.638 1.00 1.13 H new ATOM 0 HB2 TRP A 35 -6.303 34.677 -36.328 1.00 44.21 H new ATOM 0 HB3 TRP A 35 -6.194 33.176 -35.431 1.00 44.21 H new ATOM 0 HD1 TRP A 35 -7.741 31.331 -36.360 1.00 74.11 H new ATOM 0 HE1 TRP A 35 -9.970 31.220 -37.670 1.00 62.42 H new ATOM 0 HE3 TRP A 35 -8.720 36.341 -36.603 1.00 51.22 H new ATOM 0 HZ2 TRP A 35 -11.861 33.055 -38.653 1.00 1.44 H new ATOM 0 HZ3 TRP A 35 -10.766 37.091 -37.749 1.00 51.04 H new ATOM 0 HH2 TRP A 35 -12.316 35.467 -38.759 1.00 14.51 H new ATOM 471 N LEU A 36 -9.098 34.649 -32.862 1.00 2.01 N ATOM 472 CA LEU A 36 -10.122 33.999 -32.051 1.00 2.41 C ATOM 473 C LEU A 36 -9.489 33.107 -30.988 1.00 15.24 C ATOM 474 O LEU A 36 -9.488 31.880 -31.092 1.00 44.53 O ATOM 475 CB LEU A 36 -11.054 33.173 -32.938 1.00 33.40 C ATOM 476 CG LEU A 36 -12.338 33.867 -33.393 1.00 50.25 C ATOM 477 CD1 LEU A 36 -13.171 34.289 -32.193 1.00 52.43 C ATOM 478 CD2 LEU A 36 -12.013 35.069 -34.268 1.00 45.04 C ATOM 0 H LEU A 36 -9.114 35.668 -32.824 1.00 2.01 H new ATOM 0 HA LEU A 36 -10.701 34.775 -31.550 1.00 2.41 H new ATOM 0 HB2 LEU A 36 -10.499 32.863 -33.823 1.00 33.40 H new ATOM 0 HB3 LEU A 36 -11.327 32.266 -32.399 1.00 33.40 H new ATOM 0 HG LEU A 36 -12.921 33.160 -33.983 1.00 50.25 H new ATOM 0 HD11 LEU A 36 -14.081 34.781 -32.537 1.00 52.43 H new ATOM 0 HD12 LEU A 36 -13.434 33.410 -31.605 1.00 52.43 H new ATOM 0 HD13 LEU A 36 -12.596 34.979 -31.576 1.00 52.43 H new ATOM 0 HD21 LEU A 36 -12.939 35.551 -34.583 1.00 45.04 H new ATOM 0 HD22 LEU A 36 -11.409 35.778 -33.702 1.00 45.04 H new ATOM 0 HD23 LEU A 36 -11.458 34.740 -35.147 1.00 45.04 H new ATOM 490 N PRO A 37 -8.941 33.736 -29.937 1.00 70.32 N ATOM 491 CA PRO A 37 -8.298 33.018 -28.833 1.00 21.14 C ATOM 492 C PRO A 37 -9.301 32.253 -27.976 1.00 13.51 C ATOM 493 O PRO A 37 -10.509 32.463 -28.081 1.00 0.31 O ATOM 494 CB PRO A 37 -7.641 34.135 -28.018 1.00 52.32 C ATOM 495 CG PRO A 37 -8.447 35.350 -28.324 1.00 10.55 C ATOM 496 CD PRO A 37 -8.907 35.196 -29.747 1.00 20.52 C ATOM 0 HA PRO A 37 -7.597 32.264 -29.191 1.00 21.14 H new ATOM 0 HB2 PRO A 37 -7.655 33.908 -26.952 1.00 52.32 H new ATOM 0 HB3 PRO A 37 -6.597 34.270 -28.301 1.00 52.32 H new ATOM 0 HG2 PRO A 37 -9.297 35.435 -27.647 1.00 10.55 H new ATOM 0 HG3 PRO A 37 -7.851 36.254 -28.203 1.00 10.55 H new ATOM 0 HD2 PRO A 37 -9.888 35.645 -29.903 1.00 20.52 H new ATOM 0 HD3 PRO A 37 -8.222 35.677 -30.445 1.00 20.52 H new ATOM 504 N GLY A 38 -8.793 31.365 -27.127 1.00 44.40 N ATOM 505 CA GLY A 38 -9.659 30.583 -26.264 1.00 43.42 C ATOM 506 C GLY A 38 -10.752 29.869 -27.034 1.00 22.12 C ATOM 507 O GLY A 38 -11.844 29.644 -26.511 1.00 54.41 O ATOM 0 H GLY A 38 -7.797 31.173 -27.021 1.00 44.40 H new ATOM 0 HA2 GLY A 38 -9.061 29.849 -25.723 1.00 43.42 H new ATOM 0 HA3 GLY A 38 -10.112 31.237 -25.519 1.00 43.42 H new ATOM 511 N LEU A 39 -10.459 29.512 -28.279 1.00 75.14 N ATOM 512 CA LEU A 39 -11.427 28.820 -29.124 1.00 21.20 C ATOM 513 C LEU A 39 -11.474 27.332 -28.791 1.00 15.12 C ATOM 514 O LEU A 39 -12.550 26.755 -28.632 1.00 73.20 O ATOM 515 CB LEU A 39 -11.075 29.013 -30.600 1.00 62.51 C ATOM 516 CG LEU A 39 -12.231 29.405 -31.520 1.00 52.12 C ATOM 517 CD1 LEU A 39 -13.256 28.284 -31.597 1.00 53.32 C ATOM 518 CD2 LEU A 39 -12.882 30.694 -31.039 1.00 32.53 C ATOM 0 H LEU A 39 -9.560 29.690 -28.726 1.00 75.14 H new ATOM 0 HA LEU A 39 -12.411 29.248 -28.933 1.00 21.20 H new ATOM 0 HB2 LEU A 39 -10.304 29.780 -30.672 1.00 62.51 H new ATOM 0 HB3 LEU A 39 -10.638 28.086 -30.973 1.00 62.51 H new ATOM 0 HG LEU A 39 -11.833 29.574 -32.520 1.00 52.12 H new ATOM 0 HD11 LEU A 39 -14.071 28.581 -32.256 1.00 53.32 H new ATOM 0 HD12 LEU A 39 -12.782 27.384 -31.989 1.00 53.32 H new ATOM 0 HD13 LEU A 39 -13.650 28.082 -30.601 1.00 53.32 H new ATOM 0 HD21 LEU A 39 -13.703 30.958 -31.706 1.00 32.53 H new ATOM 0 HD22 LEU A 39 -13.266 30.553 -30.029 1.00 32.53 H new ATOM 0 HD23 LEU A 39 -12.144 31.496 -31.037 1.00 32.53 H new ATOM 530 N PHE A 40 -10.301 26.717 -28.684 1.00 53.03 N ATOM 531 CA PHE A 40 -10.209 25.296 -28.368 1.00 42.45 C ATOM 532 C PHE A 40 -10.384 25.060 -26.871 1.00 61.43 C ATOM 533 O PHE A 40 -10.756 25.967 -26.128 1.00 11.42 O ATOM 534 CB PHE A 40 -8.862 24.736 -28.831 1.00 11.12 C ATOM 535 CG PHE A 40 -8.553 25.030 -30.271 1.00 74.32 C ATOM 536 CD1 PHE A 40 -9.409 24.608 -31.277 1.00 3.15 C ATOM 537 CD2 PHE A 40 -7.408 25.728 -30.620 1.00 33.53 C ATOM 538 CE1 PHE A 40 -9.126 24.876 -32.603 1.00 14.34 C ATOM 539 CE2 PHE A 40 -7.121 25.999 -31.944 1.00 51.03 C ATOM 540 CZ PHE A 40 -7.982 25.574 -32.937 1.00 21.42 C ATOM 0 H PHE A 40 -9.401 27.180 -28.811 1.00 53.03 H new ATOM 0 HA PHE A 40 -11.010 24.778 -28.895 1.00 42.45 H new ATOM 0 HB2 PHE A 40 -8.071 25.151 -28.206 1.00 11.12 H new ATOM 0 HB3 PHE A 40 -8.855 23.657 -28.679 1.00 11.12 H new ATOM 0 HD1 PHE A 40 -10.306 24.064 -31.022 1.00 3.15 H new ATOM 0 HD2 PHE A 40 -6.732 26.064 -29.848 1.00 33.53 H new ATOM 0 HE1 PHE A 40 -9.799 24.540 -33.378 1.00 14.34 H new ATOM 0 HE2 PHE A 40 -6.224 26.543 -32.202 1.00 51.03 H new ATOM 0 HZ PHE A 40 -7.761 25.787 -33.972 1.00 21.42 H new ATOM 550 N ARG A 41 -10.113 23.833 -26.437 1.00 12.13 N ATOM 551 CA ARG A 41 -10.242 23.475 -25.029 1.00 53.52 C ATOM 552 C ARG A 41 -8.878 23.456 -24.346 1.00 11.31 C ATOM 553 O ARG A 41 -7.842 23.580 -25.000 1.00 72.41 O ATOM 554 CB ARG A 41 -10.915 22.109 -24.888 1.00 23.40 C ATOM 555 CG ARG A 41 -12.397 22.190 -24.562 1.00 71.25 C ATOM 556 CD ARG A 41 -12.758 21.303 -23.381 1.00 65.53 C ATOM 557 NE ARG A 41 -14.060 21.645 -22.816 1.00 41.44 N ATOM 558 CZ ARG A 41 -14.764 20.827 -22.043 1.00 72.41 C ATOM 559 NH1 ARG A 41 -14.294 19.624 -21.744 1.00 24.32 N ATOM 560 NH2 ARG A 41 -15.942 21.211 -21.567 1.00 24.31 N ATOM 0 H ARG A 41 -9.803 23.071 -27.040 1.00 12.13 H new ATOM 0 HA ARG A 41 -10.861 24.229 -24.543 1.00 53.52 H new ATOM 0 HB2 ARG A 41 -10.786 21.552 -25.816 1.00 23.40 H new ATOM 0 HB3 ARG A 41 -10.410 21.544 -24.105 1.00 23.40 H new ATOM 0 HG2 ARG A 41 -12.665 23.222 -24.338 1.00 71.25 H new ATOM 0 HG3 ARG A 41 -12.979 21.891 -25.434 1.00 71.25 H new ATOM 0 HD2 ARG A 41 -12.764 20.261 -23.699 1.00 65.53 H new ATOM 0 HD3 ARG A 41 -11.993 21.397 -22.610 1.00 65.53 H new ATOM 0 HE ARG A 41 -14.450 22.563 -23.027 1.00 41.44 H new ATOM 0 HH11 ARG A 41 -13.389 19.325 -22.108 1.00 24.32 H new ATOM 0 HH12 ARG A 41 -14.837 18.998 -21.150 1.00 24.32 H new ATOM 0 HH21 ARG A 41 -16.307 22.136 -21.795 1.00 24.31 H new ATOM 0 HH22 ARG A 41 -16.482 20.581 -20.973 1.00 24.31 H new ATOM 574 N CYS A 42 -8.885 23.301 -23.026 1.00 54.51 N ATOM 575 CA CYS A 42 -7.650 23.267 -22.253 1.00 10.11 C ATOM 576 C CYS A 42 -7.109 21.844 -22.155 1.00 61.42 C ATOM 577 O CYS A 42 -7.738 20.894 -22.623 1.00 13.00 O ATOM 578 CB CYS A 42 -7.885 23.832 -20.851 1.00 15.23 C ATOM 579 SG CYS A 42 -8.872 25.363 -20.822 1.00 41.42 S ATOM 0 H CYS A 42 -9.733 23.197 -22.469 1.00 54.51 H new ATOM 0 HA CYS A 42 -6.912 23.883 -22.767 1.00 10.11 H new ATOM 0 HB2 CYS A 42 -8.387 23.077 -20.246 1.00 15.23 H new ATOM 0 HB3 CYS A 42 -6.920 24.026 -20.382 1.00 15.23 H new ATOM 584 N THR A 43 -5.937 21.703 -21.544 1.00 21.54 N ATOM 585 CA THR A 43 -5.310 20.396 -21.385 1.00 0.52 C ATOM 586 C THR A 43 -4.461 20.344 -20.120 1.00 44.41 C ATOM 587 O THR A 43 -3.830 21.332 -19.742 1.00 53.40 O ATOM 588 CB THR A 43 -4.427 20.046 -22.597 1.00 40.04 C ATOM 589 OG1 THR A 43 -3.474 21.090 -22.827 1.00 60.33 O ATOM 590 CG2 THR A 43 -5.275 19.843 -23.844 1.00 11.12 C ATOM 0 H THR A 43 -5.402 22.478 -21.151 1.00 21.54 H new ATOM 0 HA THR A 43 -6.116 19.666 -21.309 1.00 0.52 H new ATOM 0 HB THR A 43 -3.901 19.116 -22.379 1.00 40.04 H new ATOM 0 HG1 THR A 43 -2.915 20.859 -23.598 1.00 60.33 H new ATOM 0 HG21 THR A 43 -4.629 19.597 -24.687 1.00 11.12 H new ATOM 0 HG22 THR A 43 -5.979 19.028 -23.676 1.00 11.12 H new ATOM 0 HG23 THR A 43 -5.825 20.758 -24.063 1.00 11.12 H new ATOM 598 N CYS A 44 -4.447 19.186 -19.469 1.00 71.03 N ATOM 599 CA CYS A 44 -3.675 19.004 -18.246 1.00 43.23 C ATOM 600 C CYS A 44 -2.198 18.788 -18.563 1.00 44.30 C ATOM 601 O CYS A 44 -1.850 17.985 -19.428 1.00 23.44 O ATOM 602 CB CYS A 44 -4.215 17.816 -17.448 1.00 55.15 C ATOM 603 SG CYS A 44 -3.971 17.956 -15.649 1.00 13.24 S ATOM 0 H CYS A 44 -4.962 18.358 -19.769 1.00 71.03 H new ATOM 0 HA CYS A 44 -3.772 19.909 -17.647 1.00 43.23 H new ATOM 0 HB2 CYS A 44 -5.280 17.709 -17.652 1.00 55.15 H new ATOM 0 HB3 CYS A 44 -3.730 16.905 -17.800 1.00 55.15 H new ATOM 608 N GLN A 45 -1.335 19.511 -17.856 1.00 42.34 N ATOM 609 CA GLN A 45 0.104 19.399 -18.063 1.00 23.13 C ATOM 610 C GLN A 45 0.858 19.568 -16.747 1.00 54.04 C ATOM 611 O GLN A 45 0.411 20.285 -15.852 1.00 0.20 O ATOM 612 CB GLN A 45 0.579 20.444 -19.074 1.00 20.10 C ATOM 613 CG GLN A 45 0.166 20.138 -20.504 1.00 75.14 C ATOM 614 CD GLN A 45 0.509 18.721 -20.921 1.00 12.31 C ATOM 615 OE1 GLN A 45 1.534 18.174 -20.515 1.00 24.10 O ATOM 616 NE2 GLN A 45 -0.350 18.119 -21.735 1.00 64.14 N ATOM 0 H GLN A 45 -1.607 20.180 -17.136 1.00 42.34 H new ATOM 0 HA GLN A 45 0.312 18.404 -18.455 1.00 23.13 H new ATOM 0 HB2 GLN A 45 0.182 21.419 -18.790 1.00 20.10 H new ATOM 0 HB3 GLN A 45 1.666 20.516 -19.026 1.00 20.10 H new ATOM 0 HG2 GLN A 45 -0.908 20.294 -20.609 1.00 75.14 H new ATOM 0 HG3 GLN A 45 0.657 20.840 -21.178 1.00 75.14 H new ATOM 0 HE21 GLN A 45 -1.188 18.611 -22.047 1.00 64.14 H new ATOM 0 HE22 GLN A 45 -0.172 17.165 -22.049 1.00 64.14 H new ATOM 625 N VAL A 46 2.003 18.902 -16.637 1.00 51.43 N ATOM 626 CA VAL A 46 2.819 18.979 -15.432 1.00 0.55 C ATOM 627 C VAL A 46 3.334 20.396 -15.206 1.00 44.54 C ATOM 628 O VAL A 46 3.572 21.142 -16.158 1.00 30.24 O ATOM 629 CB VAL A 46 4.017 18.014 -15.502 1.00 43.32 C ATOM 630 CG1 VAL A 46 4.776 18.200 -16.807 1.00 63.22 C ATOM 631 CG2 VAL A 46 4.937 18.219 -14.307 1.00 74.45 C ATOM 0 H VAL A 46 2.386 18.303 -17.368 1.00 51.43 H new ATOM 0 HA VAL A 46 2.179 18.691 -14.598 1.00 0.55 H new ATOM 0 HB VAL A 46 3.640 16.992 -15.470 1.00 43.32 H new ATOM 0 HG11 VAL A 46 5.619 17.510 -16.839 1.00 63.22 H new ATOM 0 HG12 VAL A 46 4.111 17.999 -17.647 1.00 63.22 H new ATOM 0 HG13 VAL A 46 5.143 19.224 -16.872 1.00 63.22 H new ATOM 0 HG21 VAL A 46 5.778 17.529 -14.373 1.00 74.45 H new ATOM 0 HG22 VAL A 46 5.308 19.244 -14.305 1.00 74.45 H new ATOM 0 HG23 VAL A 46 4.385 18.031 -13.386 1.00 74.45 H new ATOM 641 N THR A 47 3.506 20.764 -13.940 1.00 64.33 N ATOM 642 CA THR A 47 3.993 22.092 -13.589 1.00 62.20 C ATOM 643 C THR A 47 5.326 22.012 -12.854 1.00 2.12 C ATOM 644 O THR A 47 5.648 20.994 -12.243 1.00 70.50 O ATOM 645 CB THR A 47 2.979 22.847 -12.710 1.00 2.44 C ATOM 646 OG1 THR A 47 1.645 22.560 -13.143 1.00 50.10 O ATOM 647 CG2 THR A 47 3.225 24.348 -12.768 1.00 33.54 C ATOM 0 H THR A 47 3.315 20.160 -13.140 1.00 64.33 H new ATOM 0 HA THR A 47 4.129 22.637 -14.523 1.00 62.20 H new ATOM 0 HB THR A 47 3.105 22.513 -11.680 1.00 2.44 H new ATOM 0 HG1 THR A 47 1.430 23.108 -13.926 1.00 50.10 H new ATOM 0 HG21 THR A 47 2.497 24.861 -12.139 1.00 33.54 H new ATOM 0 HG22 THR A 47 4.231 24.566 -12.409 1.00 33.54 H new ATOM 0 HG23 THR A 47 3.124 24.694 -13.797 1.00 33.54 H new ATOM 655 N GLU A 48 6.097 23.093 -12.917 1.00 1.34 N ATOM 656 CA GLU A 48 7.396 23.144 -12.256 1.00 10.01 C ATOM 657 C GLU A 48 7.234 23.332 -10.750 1.00 55.33 C ATOM 658 O GLU A 48 7.753 22.549 -9.956 1.00 65.53 O ATOM 659 CB GLU A 48 8.243 24.279 -12.834 1.00 44.15 C ATOM 660 CG GLU A 48 8.243 24.326 -14.353 1.00 71.12 C ATOM 661 CD GLU A 48 9.360 25.186 -14.911 1.00 0.43 C ATOM 662 OE1 GLU A 48 9.306 26.420 -14.726 1.00 41.40 O ATOM 663 OE2 GLU A 48 10.288 24.627 -15.532 1.00 35.55 O ATOM 0 H GLU A 48 5.845 23.945 -13.419 1.00 1.34 H new ATOM 0 HA GLU A 48 7.902 22.195 -12.434 1.00 10.01 H new ATOM 0 HB2 GLU A 48 7.873 25.229 -12.450 1.00 44.15 H new ATOM 0 HB3 GLU A 48 9.269 24.171 -12.482 1.00 44.15 H new ATOM 0 HG2 GLU A 48 8.340 23.313 -14.744 1.00 71.12 H new ATOM 0 HG3 GLU A 48 7.285 24.712 -14.701 1.00 71.12 H new ATOM 670 N SER A 49 6.509 24.378 -10.365 1.00 52.05 N ATOM 671 CA SER A 49 6.281 24.673 -8.956 1.00 30.13 C ATOM 672 C SER A 49 5.497 23.549 -8.285 1.00 71.24 C ATOM 673 O SER A 49 4.699 22.865 -8.927 1.00 41.22 O ATOM 674 CB SER A 49 5.528 25.996 -8.805 1.00 34.11 C ATOM 675 OG SER A 49 6.226 27.055 -9.435 1.00 44.42 O ATOM 0 H SER A 49 6.070 25.035 -11.010 1.00 52.05 H new ATOM 0 HA SER A 49 7.251 24.758 -8.467 1.00 30.13 H new ATOM 0 HB2 SER A 49 4.533 25.903 -9.240 1.00 34.11 H new ATOM 0 HB3 SER A 49 5.394 26.223 -7.747 1.00 34.11 H new ATOM 0 HG SER A 49 5.723 27.889 -9.326 1.00 44.42 H new ATOM 681 N ASP A 50 5.730 23.364 -6.991 1.00 21.12 N ATOM 682 CA ASP A 50 5.046 22.324 -6.231 1.00 72.24 C ATOM 683 C ASP A 50 3.991 22.929 -5.310 1.00 22.41 C ATOM 684 O ASP A 50 3.698 22.387 -4.244 1.00 31.30 O ATOM 685 CB ASP A 50 6.053 21.514 -5.413 1.00 15.23 C ATOM 686 CG ASP A 50 5.567 20.107 -5.125 1.00 53.22 C ATOM 687 OD1 ASP A 50 4.336 19.898 -5.097 1.00 54.32 O ATOM 688 OD2 ASP A 50 6.418 19.215 -4.929 1.00 74.31 O ATOM 0 H ASP A 50 6.388 23.921 -6.446 1.00 21.12 H new ATOM 0 HA ASP A 50 4.547 21.660 -6.937 1.00 72.24 H new ATOM 0 HB2 ASP A 50 6.999 21.465 -5.952 1.00 15.23 H new ATOM 0 HB3 ASP A 50 6.249 22.027 -4.472 1.00 15.23 H new ATOM 693 N LYS A 51 3.425 24.056 -5.727 1.00 74.31 N ATOM 694 CA LYS A 51 2.402 24.736 -4.940 1.00 63.55 C ATOM 695 C LYS A 51 1.233 25.163 -5.821 1.00 52.35 C ATOM 696 O LYS A 51 0.479 26.072 -5.472 1.00 31.52 O ATOM 697 CB LYS A 51 2.999 25.957 -4.238 1.00 13.23 C ATOM 698 CG LYS A 51 2.963 25.865 -2.722 1.00 61.41 C ATOM 699 CD LYS A 51 2.743 27.226 -2.085 1.00 52.52 C ATOM 700 CE LYS A 51 3.299 27.277 -0.670 1.00 61.35 C ATOM 701 NZ LYS A 51 2.723 28.405 0.112 1.00 20.03 N ATOM 0 H LYS A 51 3.657 24.519 -6.606 1.00 74.31 H new ATOM 0 HA LYS A 51 2.032 24.038 -4.189 1.00 63.55 H new ATOM 0 HB2 LYS A 51 4.032 26.083 -4.562 1.00 13.23 H new ATOM 0 HB3 LYS A 51 2.456 26.848 -4.553 1.00 13.23 H new ATOM 0 HG2 LYS A 51 2.166 25.187 -2.417 1.00 61.41 H new ATOM 0 HG3 LYS A 51 3.899 25.440 -2.360 1.00 61.41 H new ATOM 0 HD2 LYS A 51 3.221 27.995 -2.693 1.00 52.52 H new ATOM 0 HD3 LYS A 51 1.677 27.452 -2.066 1.00 52.52 H new ATOM 0 HE2 LYS A 51 3.086 26.337 -0.162 1.00 61.35 H new ATOM 0 HE3 LYS A 51 4.384 27.379 -0.709 1.00 61.35 H new ATOM 0 HZ1 LYS A 51 3.127 28.405 1.070 1.00 20.03 H new ATOM 0 HZ2 LYS A 51 2.948 29.305 -0.359 1.00 20.03 H new ATOM 0 HZ3 LYS A 51 1.691 28.295 0.172 1.00 20.03 H new ATOM 715 N VAL A 52 1.087 24.502 -6.965 1.00 54.14 N ATOM 716 CA VAL A 52 0.007 24.812 -7.895 1.00 42.31 C ATOM 717 C VAL A 52 -1.230 23.972 -7.601 1.00 31.40 C ATOM 718 O VAL A 52 -1.222 23.131 -6.703 1.00 34.20 O ATOM 719 CB VAL A 52 0.439 24.577 -9.355 1.00 11.32 C ATOM 720 CG1 VAL A 52 0.149 23.144 -9.773 1.00 41.05 C ATOM 721 CG2 VAL A 52 -0.257 25.563 -10.281 1.00 51.11 C ATOM 0 H VAL A 52 1.703 23.748 -7.270 1.00 54.14 H new ATOM 0 HA VAL A 52 -0.234 25.867 -7.760 1.00 42.31 H new ATOM 0 HB VAL A 52 1.514 24.741 -9.429 1.00 11.32 H new ATOM 0 HG11 VAL A 52 0.461 22.996 -10.807 1.00 41.05 H new ATOM 0 HG12 VAL A 52 0.698 22.458 -9.127 1.00 41.05 H new ATOM 0 HG13 VAL A 52 -0.920 22.948 -9.685 1.00 41.05 H new ATOM 0 HG21 VAL A 52 0.060 25.383 -11.308 1.00 51.11 H new ATOM 0 HG22 VAL A 52 -1.337 25.433 -10.206 1.00 51.11 H new ATOM 0 HG23 VAL A 52 0.007 26.581 -9.993 1.00 51.11 H new ATOM 731 N ASN A 53 -2.292 24.205 -8.365 1.00 34.32 N ATOM 732 CA ASN A 53 -3.539 23.468 -8.186 1.00 44.42 C ATOM 733 C ASN A 53 -4.162 23.775 -6.828 1.00 1.41 C ATOM 734 O ASN A 53 -3.502 23.677 -5.793 1.00 33.21 O ATOM 735 CB ASN A 53 -3.290 21.964 -8.318 1.00 11.54 C ATOM 736 CG ASN A 53 -4.578 21.165 -8.333 1.00 34.33 C ATOM 737 OD1 ASN A 53 -5.575 21.560 -7.727 1.00 42.33 O ATOM 738 ND2 ASN A 53 -4.564 20.032 -9.027 1.00 3.55 N ATOM 0 H ASN A 53 -2.315 24.898 -9.114 1.00 34.32 H new ATOM 0 HA ASN A 53 -4.234 23.784 -8.964 1.00 44.42 H new ATOM 0 HB2 ASN A 53 -2.734 21.769 -9.235 1.00 11.54 H new ATOM 0 HB3 ASN A 53 -2.666 21.628 -7.490 1.00 11.54 H new ATOM 0 HD21 ASN A 53 -5.401 19.452 -9.073 1.00 3.55 H new ATOM 0 HD22 ASN A 53 -3.716 19.743 -9.514 1.00 3.55 H new ATOM 745 N LYS A 54 -5.437 24.148 -6.839 1.00 33.42 N ATOM 746 CA LYS A 54 -6.152 24.467 -5.609 1.00 11.51 C ATOM 747 C LYS A 54 -6.004 23.346 -4.586 1.00 72.41 C ATOM 748 O LYS A 54 -5.928 23.595 -3.383 1.00 30.23 O ATOM 749 CB LYS A 54 -7.634 24.711 -5.904 1.00 61.54 C ATOM 750 CG LYS A 54 -7.875 25.701 -7.031 1.00 31.52 C ATOM 751 CD LYS A 54 -8.806 25.128 -8.086 1.00 51.24 C ATOM 752 CE LYS A 54 -8.127 24.032 -8.894 1.00 10.45 C ATOM 753 NZ LYS A 54 -7.168 24.589 -9.888 1.00 33.02 N ATOM 0 H LYS A 54 -5.997 24.237 -7.687 1.00 33.42 H new ATOM 0 HA LYS A 54 -5.717 25.375 -5.191 1.00 11.51 H new ATOM 0 HB2 LYS A 54 -8.106 23.762 -6.158 1.00 61.54 H new ATOM 0 HB3 LYS A 54 -8.120 25.077 -5.000 1.00 61.54 H new ATOM 0 HG2 LYS A 54 -8.303 26.618 -6.626 1.00 31.52 H new ATOM 0 HG3 LYS A 54 -6.924 25.969 -7.491 1.00 31.52 H new ATOM 0 HD2 LYS A 54 -9.699 24.727 -7.606 1.00 51.24 H new ATOM 0 HD3 LYS A 54 -9.134 25.924 -8.754 1.00 51.24 H new ATOM 0 HE2 LYS A 54 -7.600 23.357 -8.220 1.00 10.45 H new ATOM 0 HE3 LYS A 54 -8.883 23.440 -9.411 1.00 10.45 H new ATOM 0 HZ1 LYS A 54 -7.466 24.319 -10.847 1.00 33.02 H new ATOM 0 HZ2 LYS A 54 -7.150 25.626 -9.810 1.00 33.02 H new ATOM 0 HZ3 LYS A 54 -6.217 24.211 -9.702 1.00 33.02 H new ATOM 767 N CYS A 55 -5.963 22.110 -5.072 1.00 62.43 N ATOM 768 CA CYS A 55 -5.823 20.949 -4.201 1.00 62.02 C ATOM 769 C CYS A 55 -4.424 20.889 -3.595 1.00 44.41 C ATOM 770 O CYS A 55 -3.452 21.390 -4.162 1.00 54.33 O ATOM 771 CB CYS A 55 -6.108 19.663 -4.980 1.00 14.31 C ATOM 772 SG CYS A 55 -7.667 18.843 -4.515 1.00 52.31 S ATOM 0 H CYS A 55 -6.025 21.886 -6.065 1.00 62.43 H new ATOM 0 HA CYS A 55 -6.547 21.044 -3.392 1.00 62.02 H new ATOM 0 HB2 CYS A 55 -6.135 19.894 -6.045 1.00 14.31 H new ATOM 0 HB3 CYS A 55 -5.284 18.967 -4.826 1.00 14.31 H new ATOM 777 N PRO A 56 -4.317 20.262 -2.414 1.00 64.04 N ATOM 778 CA PRO A 56 -3.041 20.121 -1.706 1.00 32.13 C ATOM 779 C PRO A 56 -2.088 19.163 -2.412 1.00 73.31 C ATOM 780 O PRO A 56 -2.471 18.428 -3.323 1.00 44.55 O ATOM 781 CB PRO A 56 -3.453 19.558 -0.343 1.00 60.21 C ATOM 782 CG PRO A 56 -4.744 18.859 -0.596 1.00 52.25 C ATOM 783 CD PRO A 56 -5.432 19.641 -1.681 1.00 14.43 C ATOM 0 HA PRO A 56 -2.501 21.066 -1.647 1.00 32.13 H new ATOM 0 HB2 PRO A 56 -2.701 18.872 0.045 1.00 60.21 H new ATOM 0 HB3 PRO A 56 -3.571 20.352 0.394 1.00 60.21 H new ATOM 0 HG2 PRO A 56 -4.575 17.828 -0.905 1.00 52.25 H new ATOM 0 HG3 PRO A 56 -5.353 18.825 0.307 1.00 52.25 H new ATOM 0 HD2 PRO A 56 -6.027 18.995 -2.327 1.00 14.43 H new ATOM 0 HD3 PRO A 56 -6.109 20.390 -1.269 1.00 14.43 H new ATOM 791 N PRO A 57 -0.817 19.168 -1.983 1.00 74.45 N ATOM 792 CA PRO A 57 0.216 18.303 -2.561 1.00 42.31 C ATOM 793 C PRO A 57 0.002 16.834 -2.216 1.00 23.52 C ATOM 794 O PRO A 57 -1.010 16.467 -1.619 1.00 4.42 O ATOM 795 CB PRO A 57 1.508 18.820 -1.923 1.00 40.00 C ATOM 796 CG PRO A 57 1.074 19.444 -0.642 1.00 3.13 C ATOM 797 CD PRO A 57 -0.292 20.017 -0.901 1.00 64.25 C ATOM 0 HA PRO A 57 0.217 18.341 -3.650 1.00 42.31 H new ATOM 0 HB2 PRO A 57 2.216 18.009 -1.749 1.00 40.00 H new ATOM 0 HB3 PRO A 57 2.006 19.544 -2.568 1.00 40.00 H new ATOM 0 HG2 PRO A 57 1.042 18.706 0.160 1.00 3.13 H new ATOM 0 HG3 PRO A 57 1.771 20.222 -0.331 1.00 3.13 H new ATOM 0 HD2 PRO A 57 -0.922 19.972 -0.013 1.00 64.25 H new ATOM 0 HD3 PRO A 57 -0.239 21.064 -1.201 1.00 64.25 H new ATOM 805 N ALA A 58 0.962 15.996 -2.595 1.00 32.32 N ATOM 806 CA ALA A 58 0.879 14.566 -2.323 1.00 1.13 C ATOM 807 C ALA A 58 2.188 13.865 -2.669 1.00 22.24 C ATOM 808 O ALA A 58 2.569 13.783 -3.836 1.00 11.02 O ATOM 809 CB ALA A 58 -0.274 13.947 -3.098 1.00 54.11 C ATOM 0 H ALA A 58 1.806 16.283 -3.091 1.00 32.32 H new ATOM 0 HA ALA A 58 0.697 14.434 -1.256 1.00 1.13 H new ATOM 0 HB1 ALA A 58 -0.324 12.879 -2.885 1.00 54.11 H new ATOM 0 HB2 ALA A 58 -1.209 14.421 -2.799 1.00 54.11 H new ATOM 0 HB3 ALA A 58 -0.117 14.097 -4.166 1.00 54.11 H new ATOM 815 N GLU A 59 2.873 13.361 -1.646 1.00 54.12 N ATOM 816 CA GLU A 59 4.140 12.668 -1.844 1.00 3.22 C ATOM 817 C GLU A 59 3.912 11.186 -2.126 1.00 0.01 C ATOM 818 O GLU A 59 4.861 10.407 -2.212 1.00 11.34 O ATOM 819 CB GLU A 59 5.034 12.833 -0.613 1.00 21.42 C ATOM 820 CG GLU A 59 6.471 13.196 -0.948 1.00 12.50 C ATOM 821 CD GLU A 59 7.269 13.607 0.274 1.00 20.43 C ATOM 822 OE1 GLU A 59 6.684 14.230 1.184 1.00 12.40 O ATOM 823 OE2 GLU A 59 8.480 13.303 0.321 1.00 53.13 O ATOM 0 H GLU A 59 2.571 13.420 -0.673 1.00 54.12 H new ATOM 0 HA GLU A 59 4.636 13.111 -2.707 1.00 3.22 H new ATOM 0 HB2 GLU A 59 4.613 13.606 0.030 1.00 21.42 H new ATOM 0 HB3 GLU A 59 5.026 11.905 -0.042 1.00 21.42 H new ATOM 0 HG2 GLU A 59 6.956 12.343 -1.424 1.00 12.50 H new ATOM 0 HG3 GLU A 59 6.477 14.011 -1.672 1.00 12.50 H new TER 830 GLU A 59