USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=8 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=-0.011) USER MOD Single : A 7 ASN : amide:sc= -1.84 K(o=-1.8,f=-3.5) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 85:sc= 0.751 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 26 HIS : no HD1:sc= -5.12! K(o=-5.1!,f=-3.1) USER MOD Single : A 27 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.5) USER MOD Single : A 29 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=-0.18) 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= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 47 THR OG1 : rot -100:sc= -2.55 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= 0.992 K(o=0.99,f=-12!) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 0.459 (180deg=0.363) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.486 -4.216 -1.856 1.00 14.10 N ATOM 2 CA GLY A 1 -5.603 -2.909 -2.476 1.00 73.00 C ATOM 3 C GLY A 1 -4.875 -1.831 -1.698 1.00 51.01 C ATOM 4 O GLY A 1 -3.760 -1.445 -2.051 1.00 21.33 O ATOM 0 H1 GLY A 1 -6.000 -4.918 -2.426 1.00 14.10 H new ATOM 0 H2 GLY A 1 -4.483 -4.485 -1.799 1.00 14.10 H new ATOM 0 H3 GLY A 1 -5.891 -4.184 -0.899 1.00 14.10 H new ATOM 0 HA2 GLY A 1 -5.204 -2.954 -3.489 1.00 73.00 H new ATOM 0 HA3 GLY A 1 -6.657 -2.643 -2.560 1.00 73.00 H new ATOM 8 N THR A 2 -5.507 -1.340 -0.636 1.00 61.41 N ATOM 9 CA THR A 2 -4.914 -0.298 0.192 1.00 22.32 C ATOM 10 C THR A 2 -4.455 0.883 -0.655 1.00 65.22 C ATOM 11 O THR A 2 -3.260 1.113 -0.848 1.00 34.53 O ATOM 12 CB THR A 2 -3.715 -0.835 0.997 1.00 11.33 C ATOM 13 OG1 THR A 2 -3.956 -2.191 1.390 1.00 41.34 O ATOM 14 CG2 THR A 2 -3.466 0.019 2.231 1.00 15.15 C ATOM 0 H THR A 2 -6.430 -1.648 -0.330 1.00 61.41 H new ATOM 0 HA THR A 2 -5.688 0.034 0.884 1.00 22.32 H new ATOM 0 HB THR A 2 -2.831 -0.793 0.361 1.00 11.33 H new ATOM 0 HG1 THR A 2 -3.189 -2.525 1.900 1.00 41.34 H new ATOM 0 HG21 THR A 2 -2.615 -0.379 2.783 1.00 15.15 H new ATOM 0 HG22 THR A 2 -3.254 1.044 1.927 1.00 15.15 H new ATOM 0 HG23 THR A 2 -4.351 0.005 2.868 1.00 15.15 H new ATOM 22 N PRO A 3 -5.423 1.652 -1.174 1.00 72.33 N ATOM 23 CA PRO A 3 -5.142 2.824 -2.009 1.00 22.51 C ATOM 24 C PRO A 3 -4.525 3.968 -1.212 1.00 40.12 C ATOM 25 O PRO A 3 -4.651 4.025 0.011 1.00 21.11 O ATOM 26 CB PRO A 3 -6.522 3.223 -2.537 1.00 60.50 C ATOM 27 CG PRO A 3 -7.481 2.700 -1.524 1.00 1.24 C ATOM 28 CD PRO A 3 -6.868 1.437 -0.986 1.00 23.21 C ATOM 0 HA PRO A 3 -4.419 2.602 -2.794 1.00 22.51 H new ATOM 0 HB2 PRO A 3 -6.608 4.304 -2.642 1.00 60.50 H new ATOM 0 HB3 PRO A 3 -6.710 2.791 -3.520 1.00 60.50 H new ATOM 0 HG2 PRO A 3 -7.641 3.426 -0.727 1.00 1.24 H new ATOM 0 HG3 PRO A 3 -8.454 2.501 -1.974 1.00 1.24 H new ATOM 0 HD2 PRO A 3 -7.118 1.284 0.064 1.00 23.21 H new ATOM 0 HD3 PRO A 3 -7.217 0.558 -1.528 1.00 23.21 H new ATOM 36 N VAL A 4 -3.858 4.879 -1.914 1.00 1.24 N ATOM 37 CA VAL A 4 -3.223 6.024 -1.272 1.00 23.25 C ATOM 38 C VAL A 4 -3.239 7.245 -2.184 1.00 71.11 C ATOM 39 O VAL A 4 -3.202 7.119 -3.407 1.00 52.33 O ATOM 40 CB VAL A 4 -1.767 5.710 -0.878 1.00 41.11 C ATOM 41 CG1 VAL A 4 -0.923 5.451 -2.117 1.00 2.43 C ATOM 42 CG2 VAL A 4 -1.182 6.846 -0.052 1.00 32.20 C ATOM 0 H VAL A 4 -3.743 4.846 -2.927 1.00 1.24 H new ATOM 0 HA VAL A 4 -3.797 6.240 -0.371 1.00 23.25 H new ATOM 0 HB VAL A 4 -1.760 4.807 -0.268 1.00 41.11 H new ATOM 0 HG11 VAL A 4 0.102 5.231 -1.819 1.00 2.43 H new ATOM 0 HG12 VAL A 4 -1.332 4.602 -2.665 1.00 2.43 H new ATOM 0 HG13 VAL A 4 -0.934 6.334 -2.756 1.00 2.43 H new ATOM 0 HG21 VAL A 4 -0.153 6.607 0.218 1.00 32.20 H new ATOM 0 HG22 VAL A 4 -1.200 7.767 -0.635 1.00 32.20 H new ATOM 0 HG23 VAL A 4 -1.773 6.979 0.854 1.00 32.20 H new ATOM 52 N GLY A 5 -3.294 8.428 -1.580 1.00 14.02 N ATOM 53 CA GLY A 5 -3.314 9.656 -2.353 1.00 73.22 C ATOM 54 C GLY A 5 -4.682 9.951 -2.937 1.00 2.32 C ATOM 55 O GLY A 5 -5.405 9.039 -3.334 1.00 22.44 O ATOM 0 H GLY A 5 -3.325 8.558 -0.569 1.00 14.02 H new ATOM 0 HA2 GLY A 5 -3.007 10.487 -1.718 1.00 73.22 H new ATOM 0 HA3 GLY A 5 -2.585 9.585 -3.160 1.00 73.22 H new ATOM 59 N ASN A 6 -5.038 11.231 -2.988 1.00 21.24 N ATOM 60 CA ASN A 6 -6.329 11.644 -3.525 1.00 32.11 C ATOM 61 C ASN A 6 -6.195 12.099 -4.975 1.00 3.11 C ATOM 62 O ASN A 6 -7.098 11.898 -5.786 1.00 22.45 O ATOM 63 CB ASN A 6 -6.920 12.772 -2.677 1.00 53.22 C ATOM 64 CG ASN A 6 -7.086 12.376 -1.223 1.00 13.53 C ATOM 65 OD1 ASN A 6 -7.673 11.339 -0.913 1.00 44.12 O ATOM 66 ND2 ASN A 6 -6.569 13.204 -0.322 1.00 15.01 N ATOM 0 H ASN A 6 -4.451 11.999 -2.664 1.00 21.24 H new ATOM 0 HA ASN A 6 -6.999 10.785 -3.493 1.00 32.11 H new ATOM 0 HB2 ASN A 6 -6.274 13.648 -2.741 1.00 53.22 H new ATOM 0 HB3 ASN A 6 -7.889 13.060 -3.085 1.00 53.22 H new ATOM 0 HD21 ASN A 6 -6.650 12.991 0.672 1.00 15.01 H new ATOM 0 HD22 ASN A 6 -6.091 14.053 -0.624 1.00 15.01 H new ATOM 73 N ASN A 7 -5.060 12.713 -5.294 1.00 10.53 N ATOM 74 CA ASN A 7 -4.807 13.197 -6.646 1.00 4.41 C ATOM 75 C ASN A 7 -5.044 12.094 -7.672 1.00 75.31 C ATOM 76 O ASN A 7 -4.356 11.073 -7.674 1.00 10.02 O ATOM 77 CB ASN A 7 -3.373 13.718 -6.763 1.00 63.13 C ATOM 78 CG ASN A 7 -3.224 15.129 -6.229 1.00 14.34 C ATOM 79 OD1 ASN A 7 -2.647 15.344 -5.163 1.00 33.45 O ATOM 80 ND2 ASN A 7 -3.747 16.100 -6.969 1.00 4.20 N ATOM 0 H ASN A 7 -4.301 12.887 -4.635 1.00 10.53 H new ATOM 0 HA ASN A 7 -5.501 14.013 -6.849 1.00 4.41 H new ATOM 0 HB2 ASN A 7 -2.703 13.054 -6.218 1.00 63.13 H new ATOM 0 HB3 ASN A 7 -3.065 13.694 -7.808 1.00 63.13 H new ATOM 0 HD21 ASN A 7 -3.679 17.070 -6.660 1.00 4.20 H new ATOM 0 HD22 ASN A 7 -4.217 15.876 -7.846 1.00 4.20 H new ATOM 87 N LYS A 8 -6.024 12.306 -8.545 1.00 22.13 N ATOM 88 CA LYS A 8 -6.353 11.331 -9.578 1.00 42.42 C ATOM 89 C LYS A 8 -5.339 11.383 -10.717 1.00 32.32 C ATOM 90 O LYS A 8 -5.066 10.372 -11.365 1.00 31.45 O ATOM 91 CB LYS A 8 -7.760 11.589 -10.122 1.00 1.32 C ATOM 92 CG LYS A 8 -8.801 11.806 -9.037 1.00 62.01 C ATOM 93 CD LYS A 8 -10.125 11.152 -9.396 1.00 25.12 C ATOM 94 CE LYS A 8 -11.244 11.620 -8.479 1.00 52.31 C ATOM 95 NZ LYS A 8 -12.284 10.571 -8.292 1.00 61.44 N ATOM 0 H LYS A 8 -6.604 13.145 -8.557 1.00 22.13 H new ATOM 0 HA LYS A 8 -6.320 10.338 -9.130 1.00 42.42 H new ATOM 0 HB2 LYS A 8 -7.735 12.465 -10.770 1.00 1.32 H new ATOM 0 HB3 LYS A 8 -8.062 10.744 -10.740 1.00 1.32 H new ATOM 0 HG2 LYS A 8 -8.436 11.398 -8.095 1.00 62.01 H new ATOM 0 HG3 LYS A 8 -8.952 12.875 -8.884 1.00 62.01 H new ATOM 0 HD2 LYS A 8 -10.379 11.385 -10.430 1.00 25.12 H new ATOM 0 HD3 LYS A 8 -10.027 10.069 -9.329 1.00 25.12 H new ATOM 0 HE2 LYS A 8 -10.828 11.896 -7.510 1.00 52.31 H new ATOM 0 HE3 LYS A 8 -11.703 12.517 -8.895 1.00 52.31 H new ATOM 0 HZ1 LYS A 8 -13.029 10.929 -7.661 1.00 61.44 H new ATOM 0 HZ2 LYS A 8 -12.699 10.326 -9.213 1.00 61.44 H new ATOM 0 HZ3 LYS A 8 -11.851 9.724 -7.871 1.00 61.44 H new ATOM 109 N CYS A 9 -4.783 12.566 -10.955 1.00 71.21 N ATOM 110 CA CYS A 9 -3.799 12.749 -12.015 1.00 3.24 C ATOM 111 C CYS A 9 -4.367 12.322 -13.365 1.00 50.50 C ATOM 112 O CYS A 9 -4.129 11.206 -13.825 1.00 61.21 O ATOM 113 CB CYS A 9 -2.532 11.949 -11.706 1.00 63.13 C ATOM 114 SG CYS A 9 -1.081 12.446 -12.689 1.00 5.53 S ATOM 0 H CYS A 9 -4.997 13.413 -10.428 1.00 71.21 H new ATOM 0 HA CYS A 9 -3.549 13.809 -12.065 1.00 3.24 H new ATOM 0 HB2 CYS A 9 -2.295 12.058 -10.648 1.00 63.13 H new ATOM 0 HB3 CYS A 9 -2.731 10.892 -11.881 1.00 63.13 H new ATOM 119 N TRP A 10 -5.118 13.219 -13.994 1.00 33.11 N ATOM 120 CA TRP A 10 -5.721 12.936 -15.292 1.00 24.42 C ATOM 121 C TRP A 10 -4.655 12.846 -16.379 1.00 1.44 C ATOM 122 O TRP A 10 -3.459 12.865 -16.091 1.00 3.45 O ATOM 123 CB TRP A 10 -6.742 14.016 -15.650 1.00 14.04 C ATOM 124 CG TRP A 10 -8.017 13.465 -16.213 1.00 70.34 C ATOM 125 CD1 TRP A 10 -8.540 13.712 -17.450 1.00 73.45 C ATOM 126 CD2 TRP A 10 -8.929 12.575 -15.560 1.00 11.41 C ATOM 127 NE1 TRP A 10 -9.723 13.029 -17.605 1.00 41.23 N ATOM 128 CE2 TRP A 10 -9.983 12.324 -16.460 1.00 50.12 C ATOM 129 CE3 TRP A 10 -8.957 11.965 -14.303 1.00 51.21 C ATOM 130 CZ2 TRP A 10 -11.052 11.491 -16.141 1.00 25.42 C ATOM 131 CZ3 TRP A 10 -10.018 11.139 -13.988 1.00 35.55 C ATOM 132 CH2 TRP A 10 -11.053 10.907 -14.903 1.00 74.53 C ATOM 0 H TRP A 10 -5.324 14.148 -13.627 1.00 33.11 H new ATOM 0 HA TRP A 10 -6.229 11.974 -15.227 1.00 24.42 H new ATOM 0 HB2 TRP A 10 -6.970 14.600 -14.759 1.00 14.04 H new ATOM 0 HB3 TRP A 10 -6.299 14.699 -16.374 1.00 14.04 H new ATOM 0 HD1 TRP A 10 -8.091 14.350 -18.197 1.00 73.45 H new ATOM 0 HE1 TRP A 10 -10.312 13.045 -18.438 1.00 41.23 H new ATOM 0 HE3 TRP A 10 -8.163 12.136 -13.591 1.00 51.21 H new ATOM 0 HZ2 TRP A 10 -11.851 11.312 -16.845 1.00 25.42 H new ATOM 0 HZ3 TRP A 10 -10.050 10.663 -13.019 1.00 35.55 H new ATOM 0 HH2 TRP A 10 -11.868 10.254 -14.626 1.00 74.53 H new ATOM 143 N ALA A 11 -5.097 12.749 -17.628 1.00 42.42 N ATOM 144 CA ALA A 11 -4.180 12.660 -18.758 1.00 31.32 C ATOM 145 C ALA A 11 -3.652 14.036 -19.147 1.00 3.33 C ATOM 146 O ALA A 11 -4.425 14.969 -19.368 1.00 32.54 O ATOM 147 CB ALA A 11 -4.868 12.002 -19.945 1.00 20.42 C ATOM 0 H ALA A 11 -6.084 12.730 -17.883 1.00 42.42 H new ATOM 0 HA ALA A 11 -3.331 12.046 -18.457 1.00 31.32 H new ATOM 0 HB1 ALA A 11 -4.172 11.942 -20.782 1.00 20.42 H new ATOM 0 HB2 ALA A 11 -5.190 10.998 -19.668 1.00 20.42 H new ATOM 0 HB3 ALA A 11 -5.736 12.594 -20.237 1.00 20.42 H new ATOM 153 N ILE A 12 -2.331 14.157 -19.228 1.00 21.42 N ATOM 154 CA ILE A 12 -1.700 15.420 -19.590 1.00 73.33 C ATOM 155 C ILE A 12 -2.191 15.909 -20.948 1.00 53.44 C ATOM 156 O ILE A 12 -2.043 15.223 -21.958 1.00 61.24 O ATOM 157 CB ILE A 12 -0.166 15.293 -19.627 1.00 62.31 C ATOM 158 CG1 ILE A 12 0.351 14.713 -18.309 1.00 4.11 C ATOM 159 CG2 ILE A 12 0.471 16.646 -19.903 1.00 2.51 C ATOM 160 CD1 ILE A 12 1.859 14.610 -18.245 1.00 22.14 C ATOM 0 H ILE A 12 -1.677 13.395 -19.048 1.00 21.42 H new ATOM 0 HA ILE A 12 -1.978 16.143 -18.823 1.00 73.33 H new ATOM 0 HB ILE A 12 0.108 14.613 -20.434 1.00 62.31 H new ATOM 0 HG12 ILE A 12 0.002 15.336 -17.485 1.00 4.11 H new ATOM 0 HG13 ILE A 12 -0.079 13.722 -18.164 1.00 4.11 H new ATOM 0 HG21 ILE A 12 1.556 16.540 -19.926 1.00 2.51 H new ATOM 0 HG22 ILE A 12 0.123 17.023 -20.865 1.00 2.51 H new ATOM 0 HG23 ILE A 12 0.192 17.347 -19.116 1.00 2.51 H new ATOM 0 HD11 ILE A 12 2.155 14.191 -17.283 1.00 22.14 H new ATOM 0 HD12 ILE A 12 2.214 13.963 -19.047 1.00 22.14 H new ATOM 0 HD13 ILE A 12 2.297 15.602 -18.358 1.00 22.14 H new ATOM 172 N GLY A 13 -2.776 17.103 -20.965 1.00 50.51 N ATOM 173 CA GLY A 13 -3.279 17.666 -22.205 1.00 4.22 C ATOM 174 C GLY A 13 -4.789 17.791 -22.214 1.00 72.25 C ATOM 175 O GLY A 13 -5.353 18.545 -23.009 1.00 32.54 O ATOM 0 H GLY A 13 -2.911 17.691 -20.142 1.00 50.51 H new ATOM 0 HA2 GLY A 13 -2.835 18.649 -22.360 1.00 4.22 H new ATOM 0 HA3 GLY A 13 -2.964 17.039 -23.039 1.00 4.22 H new ATOM 179 N THR A 14 -5.449 17.048 -21.330 1.00 44.35 N ATOM 180 CA THR A 14 -6.903 17.077 -21.242 1.00 70.40 C ATOM 181 C THR A 14 -7.375 18.168 -20.288 1.00 23.22 C ATOM 182 O THR A 14 -6.569 18.804 -19.607 1.00 61.34 O ATOM 183 CB THR A 14 -7.464 15.721 -20.771 1.00 43.34 C ATOM 184 OG1 THR A 14 -6.468 14.703 -20.914 1.00 65.34 O ATOM 185 CG2 THR A 14 -8.702 15.342 -21.569 1.00 34.13 C ATOM 0 H THR A 14 -4.999 16.419 -20.665 1.00 44.35 H new ATOM 0 HA THR A 14 -7.276 17.289 -22.244 1.00 70.40 H new ATOM 0 HB THR A 14 -7.742 15.812 -19.721 1.00 43.34 H new ATOM 0 HG1 THR A 14 -5.885 14.703 -20.127 1.00 65.34 H new ATOM 0 HG21 THR A 14 -9.080 14.382 -21.219 1.00 34.13 H new ATOM 0 HG22 THR A 14 -9.469 16.105 -21.435 1.00 34.13 H new ATOM 0 HG23 THR A 14 -8.445 15.268 -22.626 1.00 34.13 H new ATOM 193 N THR A 15 -8.686 18.381 -20.241 1.00 72.41 N ATOM 194 CA THR A 15 -9.265 19.396 -19.370 1.00 74.52 C ATOM 195 C THR A 15 -9.328 18.910 -17.927 1.00 12.35 C ATOM 196 O THR A 15 -9.548 17.727 -17.667 1.00 72.25 O ATOM 197 CB THR A 15 -10.682 19.788 -19.830 1.00 51.30 C ATOM 198 OG1 THR A 15 -10.739 19.832 -21.260 1.00 64.32 O ATOM 199 CG2 THR A 15 -11.080 21.142 -19.260 1.00 71.44 C ATOM 0 H THR A 15 -9.367 17.864 -20.796 1.00 72.41 H new ATOM 0 HA THR A 15 -8.617 20.270 -19.428 1.00 74.52 H new ATOM 0 HB THR A 15 -11.380 19.036 -19.462 1.00 51.30 H new ATOM 0 HG1 THR A 15 -11.644 20.080 -21.544 1.00 64.32 H new ATOM 0 HG21 THR A 15 -12.084 21.398 -19.598 1.00 71.44 H new ATOM 0 HG22 THR A 15 -11.064 21.097 -18.171 1.00 71.44 H new ATOM 0 HG23 THR A 15 -10.377 21.902 -19.602 1.00 71.44 H new ATOM 207 N CYS A 16 -9.134 19.832 -16.989 1.00 35.43 N ATOM 208 CA CYS A 16 -9.169 19.498 -15.570 1.00 13.21 C ATOM 209 C CYS A 16 -10.560 19.737 -14.989 1.00 72.41 C ATOM 210 O CYS A 16 -11.443 20.266 -15.664 1.00 35.14 O ATOM 211 CB CYS A 16 -8.136 20.327 -14.804 1.00 51.23 C ATOM 212 SG CYS A 16 -8.366 22.128 -14.958 1.00 21.22 S ATOM 0 H CYS A 16 -8.951 20.816 -17.186 1.00 35.43 H new ATOM 0 HA CYS A 16 -8.927 18.440 -15.465 1.00 13.21 H new ATOM 0 HB2 CYS A 16 -8.177 20.055 -13.749 1.00 51.23 H new ATOM 0 HB3 CYS A 16 -7.140 20.067 -15.161 1.00 51.23 H new ATOM 217 N SER A 17 -10.747 19.342 -13.734 1.00 2.24 N ATOM 218 CA SER A 17 -12.031 19.509 -13.063 1.00 4.45 C ATOM 219 C SER A 17 -11.837 19.721 -11.564 1.00 42.01 C ATOM 220 O SER A 17 -12.741 19.468 -10.768 1.00 72.31 O ATOM 221 CB SER A 17 -12.920 18.289 -13.306 1.00 21.41 C ATOM 222 OG SER A 17 -13.016 17.995 -14.689 1.00 13.41 O ATOM 0 H SER A 17 -10.026 18.904 -13.161 1.00 2.24 H new ATOM 0 HA SER A 17 -12.517 20.392 -13.477 1.00 4.45 H new ATOM 0 HB2 SER A 17 -12.514 17.428 -12.775 1.00 21.41 H new ATOM 0 HB3 SER A 17 -13.915 18.473 -12.900 1.00 21.41 H new ATOM 0 HG SER A 17 -13.588 17.210 -14.818 1.00 13.41 H new ATOM 228 N ASP A 18 -10.651 20.187 -11.187 1.00 72.14 N ATOM 229 CA ASP A 18 -10.337 20.434 -9.785 1.00 12.30 C ATOM 230 C ASP A 18 -10.649 19.207 -8.934 1.00 12.43 C ATOM 231 O ASP A 18 -10.821 18.105 -9.455 1.00 5.31 O ATOM 232 CB ASP A 18 -11.123 21.641 -9.270 1.00 2.24 C ATOM 233 CG ASP A 18 -10.266 22.579 -8.442 1.00 51.22 C ATOM 234 OD1 ASP A 18 -9.834 22.174 -7.343 1.00 74.40 O ATOM 235 OD2 ASP A 18 -10.028 23.719 -8.893 1.00 41.34 O ATOM 0 H ASP A 18 -9.891 20.401 -11.833 1.00 72.14 H new ATOM 0 HA ASP A 18 -9.270 20.645 -9.708 1.00 12.30 H new ATOM 0 HB2 ASP A 18 -11.541 22.187 -10.116 1.00 2.24 H new ATOM 0 HB3 ASP A 18 -11.963 21.294 -8.668 1.00 2.24 H new ATOM 240 N ASP A 19 -10.720 19.406 -7.622 1.00 53.32 N ATOM 241 CA ASP A 19 -11.011 18.316 -6.698 1.00 55.32 C ATOM 242 C ASP A 19 -9.941 17.233 -6.781 1.00 61.34 C ATOM 243 O ASP A 19 -10.247 16.040 -6.767 1.00 11.12 O ATOM 244 CB ASP A 19 -12.386 17.717 -7.000 1.00 1.01 C ATOM 245 CG ASP A 19 -13.001 17.040 -5.790 1.00 44.45 C ATOM 246 OD1 ASP A 19 -13.426 17.758 -4.862 1.00 11.41 O ATOM 247 OD2 ASP A 19 -13.055 15.793 -5.772 1.00 74.32 O ATOM 0 H ASP A 19 -10.580 20.312 -7.175 1.00 53.32 H new ATOM 0 HA ASP A 19 -11.014 18.721 -5.686 1.00 55.32 H new ATOM 0 HB2 ASP A 19 -13.053 18.505 -7.350 1.00 1.01 H new ATOM 0 HB3 ASP A 19 -12.294 16.993 -7.810 1.00 1.01 H new ATOM 252 N CYS A 20 -8.684 17.655 -6.870 1.00 12.41 N ATOM 253 CA CYS A 20 -7.568 16.722 -6.957 1.00 45.32 C ATOM 254 C CYS A 20 -7.632 15.916 -8.251 1.00 52.12 C ATOM 255 O CYS A 20 -6.991 14.873 -8.378 1.00 21.25 O ATOM 256 CB CYS A 20 -7.570 15.777 -5.754 1.00 51.20 C ATOM 257 SG CYS A 20 -6.064 15.868 -4.734 1.00 4.32 S ATOM 0 H CYS A 20 -8.413 18.638 -6.884 1.00 12.41 H new ATOM 0 HA CYS A 20 -6.644 17.300 -6.955 1.00 45.32 H new ATOM 0 HB2 CYS A 20 -8.434 16.004 -5.129 1.00 51.20 H new ATOM 0 HB3 CYS A 20 -7.694 14.754 -6.109 1.00 51.20 H new ATOM 262 N ASP A 21 -8.410 16.407 -9.209 1.00 52.43 N ATOM 263 CA ASP A 21 -8.558 15.734 -10.495 1.00 11.35 C ATOM 264 C ASP A 21 -7.205 15.562 -11.176 1.00 65.54 C ATOM 265 O ASP A 21 -6.749 14.440 -11.401 1.00 73.32 O ATOM 266 CB ASP A 21 -9.503 16.524 -11.402 1.00 32.51 C ATOM 267 CG ASP A 21 -9.440 16.063 -12.845 1.00 22.53 C ATOM 268 OD1 ASP A 21 -8.553 16.541 -13.582 1.00 3.24 O ATOM 269 OD2 ASP A 21 -10.278 15.224 -13.237 1.00 61.34 O ATOM 0 H ASP A 21 -8.948 17.269 -9.120 1.00 52.43 H new ATOM 0 HA ASP A 21 -8.982 14.746 -10.314 1.00 11.35 H new ATOM 0 HB2 ASP A 21 -10.524 16.422 -11.035 1.00 32.51 H new ATOM 0 HB3 ASP A 21 -9.251 17.583 -11.351 1.00 32.51 H new ATOM 274 N CYS A 22 -6.566 16.680 -11.504 1.00 60.35 N ATOM 275 CA CYS A 22 -5.265 16.653 -12.162 1.00 52.33 C ATOM 276 C CYS A 22 -4.172 16.224 -11.188 1.00 43.52 C ATOM 277 O CYS A 22 -4.439 15.953 -10.017 1.00 73.54 O ATOM 278 CB CYS A 22 -4.936 18.030 -12.742 1.00 44.14 C ATOM 279 SG CYS A 22 -5.227 18.171 -14.535 1.00 63.31 S ATOM 0 H CYS A 22 -6.928 17.617 -11.325 1.00 60.35 H new ATOM 0 HA CYS A 22 -5.310 15.926 -12.973 1.00 52.33 H new ATOM 0 HB2 CYS A 22 -5.535 18.782 -12.227 1.00 44.14 H new ATOM 0 HB3 CYS A 22 -3.891 18.259 -12.535 1.00 44.14 H new ATOM 284 N CYS A 23 -2.939 16.167 -11.680 1.00 24.41 N ATOM 285 CA CYS A 23 -1.804 15.771 -10.855 1.00 5.12 C ATOM 286 C CYS A 23 -1.406 16.895 -9.902 1.00 42.03 C ATOM 287 O CYS A 23 -1.655 18.074 -10.155 1.00 30.11 O ATOM 288 CB CYS A 23 -0.613 15.390 -11.737 1.00 51.21 C ATOM 289 SG CYS A 23 -1.049 14.340 -13.161 1.00 5.42 S ATOM 0 H CYS A 23 -2.700 16.390 -12.646 1.00 24.41 H new ATOM 0 HA CYS A 23 -2.101 14.905 -10.264 1.00 5.12 H new ATOM 0 HB2 CYS A 23 -0.139 16.301 -12.102 1.00 51.21 H new ATOM 0 HB3 CYS A 23 0.125 14.869 -11.127 1.00 51.21 H new ATOM 294 N PRO A 24 -0.772 16.523 -8.780 1.00 62.04 N ATOM 295 CA PRO A 24 -0.325 17.484 -7.768 1.00 11.13 C ATOM 296 C PRO A 24 0.836 18.343 -8.256 1.00 25.21 C ATOM 297 O PRO A 24 0.970 19.502 -7.865 1.00 54.03 O ATOM 298 CB PRO A 24 0.120 16.593 -6.605 1.00 41.32 C ATOM 299 CG PRO A 24 0.484 15.296 -7.240 1.00 72.40 C ATOM 300 CD PRO A 24 -0.442 15.135 -8.414 1.00 42.33 C ATOM 0 HA PRO A 24 -1.110 18.192 -7.504 1.00 11.13 H new ATOM 0 HB2 PRO A 24 0.969 17.027 -6.076 1.00 41.32 H new ATOM 0 HB3 PRO A 24 -0.679 16.466 -5.875 1.00 41.32 H new ATOM 0 HG2 PRO A 24 1.525 15.298 -7.562 1.00 72.40 H new ATOM 0 HG3 PRO A 24 0.369 14.471 -6.537 1.00 72.40 H new ATOM 0 HD2 PRO A 24 0.040 14.606 -9.236 1.00 42.33 H new ATOM 0 HD3 PRO A 24 -1.333 14.567 -8.148 1.00 42.33 H new ATOM 308 N GLU A 25 1.674 17.766 -9.112 1.00 60.01 N ATOM 309 CA GLU A 25 2.825 18.480 -9.653 1.00 13.22 C ATOM 310 C GLU A 25 2.479 19.139 -10.985 1.00 41.20 C ATOM 311 O GLU A 25 3.358 19.634 -11.692 1.00 54.01 O ATOM 312 CB GLU A 25 4.006 17.525 -9.835 1.00 2.20 C ATOM 313 CG GLU A 25 5.001 17.562 -8.687 1.00 45.45 C ATOM 314 CD GLU A 25 6.345 18.134 -9.098 1.00 74.45 C ATOM 315 OE1 GLU A 25 7.199 17.358 -9.575 1.00 60.04 O ATOM 316 OE2 GLU A 25 6.541 19.357 -8.943 1.00 52.32 O ATOM 0 H GLU A 25 1.577 16.807 -9.445 1.00 60.01 H new ATOM 0 HA GLU A 25 3.104 19.259 -8.943 1.00 13.22 H new ATOM 0 HB2 GLU A 25 3.627 16.509 -9.944 1.00 2.20 H new ATOM 0 HB3 GLU A 25 4.524 17.773 -10.762 1.00 2.20 H new ATOM 0 HG2 GLU A 25 4.589 18.159 -7.873 1.00 45.45 H new ATOM 0 HG3 GLU A 25 5.143 16.552 -8.301 1.00 45.45 H new ATOM 323 N HIS A 26 1.193 19.141 -11.322 1.00 1.24 N ATOM 324 CA HIS A 26 0.730 19.739 -12.569 1.00 2.11 C ATOM 325 C HIS A 26 -0.343 20.790 -12.302 1.00 40.22 C ATOM 326 O HIS A 26 -0.687 21.063 -11.152 1.00 20.14 O ATOM 327 CB HIS A 26 0.183 18.660 -13.504 1.00 13.21 C ATOM 328 CG HIS A 26 1.213 17.663 -13.936 1.00 21.33 C ATOM 329 ND1 HIS A 26 1.422 17.320 -15.255 1.00 31.42 N ATOM 330 CD2 HIS A 26 2.097 16.934 -13.215 1.00 0.35 C ATOM 331 CE1 HIS A 26 2.389 16.422 -15.326 1.00 75.12 C ATOM 332 NE2 HIS A 26 2.816 16.171 -14.102 1.00 14.23 N ATOM 0 H HIS A 26 0.453 18.735 -10.749 1.00 1.24 H new ATOM 0 HA HIS A 26 1.580 20.227 -13.047 1.00 2.11 H new ATOM 0 HB2 HIS A 26 -0.631 18.135 -13.003 1.00 13.21 H new ATOM 0 HB3 HIS A 26 -0.241 19.137 -14.387 1.00 13.21 H new ATOM 0 HD2 HIS A 26 2.215 16.950 -12.142 1.00 0.35 H new ATOM 0 HE1 HIS A 26 2.766 15.970 -16.232 1.00 75.12 H new ATOM 0 HE2 HIS A 26 3.559 15.517 -13.855 1.00 14.23 H new ATOM 340 N HIS A 27 -0.868 21.378 -13.373 1.00 21.04 N ATOM 341 CA HIS A 27 -1.902 22.400 -13.254 1.00 31.32 C ATOM 342 C HIS A 27 -2.683 22.536 -14.557 1.00 52.33 C ATOM 343 O HIS A 27 -2.471 21.776 -15.503 1.00 15.23 O ATOM 344 CB HIS A 27 -1.280 23.744 -12.875 1.00 64.14 C ATOM 345 CG HIS A 27 -2.096 24.527 -11.893 1.00 64.42 C ATOM 346 ND1 HIS A 27 -2.617 23.977 -10.741 1.00 5.33 N ATOM 347 CD2 HIS A 27 -2.478 25.825 -11.896 1.00 33.03 C ATOM 348 CE1 HIS A 27 -3.286 24.903 -10.078 1.00 3.54 C ATOM 349 NE2 HIS A 27 -3.217 26.034 -10.757 1.00 42.11 N ATOM 0 H HIS A 27 -0.594 21.164 -14.332 1.00 21.04 H new ATOM 0 HA HIS A 27 -2.592 22.094 -12.468 1.00 31.32 H new ATOM 0 HB2 HIS A 27 -0.289 23.571 -12.455 1.00 64.14 H new ATOM 0 HB3 HIS A 27 -1.144 24.339 -13.778 1.00 64.14 H new ATOM 0 HD2 HIS A 27 -2.245 26.560 -12.653 1.00 33.03 H new ATOM 0 HE1 HIS A 27 -3.802 24.760 -9.140 1.00 3.54 H new ATOM 0 HE2 HIS A 27 -3.643 26.919 -10.481 1.00 42.11 H new ATOM 357 N CYS A 28 -3.587 23.509 -14.600 1.00 54.04 N ATOM 358 CA CYS A 28 -4.401 23.745 -15.787 1.00 15.14 C ATOM 359 C CYS A 28 -3.895 24.958 -16.561 1.00 50.42 C ATOM 360 O CYS A 28 -3.625 26.010 -15.981 1.00 42.51 O ATOM 361 CB CYS A 28 -5.865 23.952 -15.393 1.00 54.12 C ATOM 362 SG CYS A 28 -6.493 22.732 -14.194 1.00 42.25 S ATOM 0 H CYS A 28 -3.775 24.147 -13.827 1.00 54.04 H new ATOM 0 HA CYS A 28 -4.325 22.868 -16.430 1.00 15.14 H new ATOM 0 HB2 CYS A 28 -5.979 24.951 -14.972 1.00 54.12 H new ATOM 0 HB3 CYS A 28 -6.481 23.913 -16.291 1.00 54.12 H new ATOM 367 N HIS A 29 -3.769 24.804 -17.875 1.00 51.15 N ATOM 368 CA HIS A 29 -3.296 25.887 -18.731 1.00 30.15 C ATOM 369 C HIS A 29 -4.415 26.394 -19.635 1.00 74.51 C ATOM 370 O HIS A 29 -5.032 25.621 -20.370 1.00 21.04 O ATOM 371 CB HIS A 29 -2.113 25.417 -19.578 1.00 33.43 C ATOM 372 CG HIS A 29 -1.421 26.526 -20.308 1.00 71.12 C ATOM 373 ND1 HIS A 29 -1.343 27.814 -19.822 1.00 32.23 N ATOM 374 CD2 HIS A 29 -0.771 26.534 -21.496 1.00 33.25 C ATOM 375 CE1 HIS A 29 -0.677 28.566 -20.679 1.00 0.30 C ATOM 376 NE2 HIS A 29 -0.318 27.813 -21.703 1.00 53.43 N ATOM 0 H HIS A 29 -3.988 23.940 -18.371 1.00 51.15 H new ATOM 0 HA HIS A 29 -2.971 26.707 -18.091 1.00 30.15 H new ATOM 0 HB2 HIS A 29 -1.393 24.913 -18.934 1.00 33.43 H new ATOM 0 HB3 HIS A 29 -2.464 24.681 -20.301 1.00 33.43 H new ATOM 0 HD2 HIS A 29 -0.635 25.691 -22.157 1.00 33.25 H new ATOM 0 HE1 HIS A 29 -0.462 29.618 -20.562 1.00 0.30 H new ATOM 0 HE2 HIS A 29 0.210 28.130 -22.516 1.00 53.43 H new ATOM 384 N CYS A 30 -4.674 27.696 -19.576 1.00 64.32 N ATOM 385 CA CYS A 30 -5.719 28.306 -20.388 1.00 72.14 C ATOM 386 C CYS A 30 -5.188 29.529 -21.130 1.00 3.44 C ATOM 387 O CYS A 30 -5.429 30.673 -20.743 1.00 44.33 O ATOM 388 CB CYS A 30 -6.908 28.704 -19.512 1.00 32.24 C ATOM 389 SG CYS A 30 -8.305 27.536 -19.578 1.00 41.34 S ATOM 0 H CYS A 30 -4.174 28.349 -18.973 1.00 64.32 H new ATOM 0 HA CYS A 30 -6.048 27.571 -21.123 1.00 72.14 H new ATOM 0 HB2 CYS A 30 -6.571 28.793 -18.479 1.00 32.24 H new ATOM 0 HB3 CYS A 30 -7.258 29.690 -19.819 1.00 32.24 H new ATOM 394 N PRO A 31 -4.447 29.284 -22.221 1.00 12.52 N ATOM 395 CA PRO A 31 -3.867 30.353 -23.040 1.00 22.13 C ATOM 396 C PRO A 31 -4.926 31.131 -23.813 1.00 70.32 C ATOM 397 O PRO A 31 -6.124 30.945 -23.601 1.00 41.14 O ATOM 398 CB PRO A 31 -2.946 29.600 -24.003 1.00 42.54 C ATOM 399 CG PRO A 31 -3.527 28.231 -24.091 1.00 45.43 C ATOM 400 CD PRO A 31 -4.120 27.946 -22.739 1.00 62.34 C ATOM 0 HA PRO A 31 -3.354 31.099 -22.433 1.00 22.13 H new ATOM 0 HB2 PRO A 31 -2.917 30.081 -24.981 1.00 42.54 H new ATOM 0 HB3 PRO A 31 -1.922 29.572 -23.631 1.00 42.54 H new ATOM 0 HG2 PRO A 31 -4.288 28.179 -24.870 1.00 45.43 H new ATOM 0 HG3 PRO A 31 -2.761 27.498 -24.344 1.00 45.43 H new ATOM 0 HD2 PRO A 31 -5.007 27.316 -22.814 1.00 62.34 H new ATOM 0 HD3 PRO A 31 -3.414 27.426 -22.092 1.00 62.34 H new ATOM 408 N ALA A 32 -4.476 32.002 -24.711 1.00 33.25 N ATOM 409 CA ALA A 32 -5.386 32.806 -25.517 1.00 61.22 C ATOM 410 C ALA A 32 -6.125 31.944 -26.535 1.00 34.33 C ATOM 411 O ALA A 32 -5.713 30.823 -26.830 1.00 23.01 O ATOM 412 CB ALA A 32 -4.624 33.919 -26.221 1.00 3.13 C ATOM 0 H ALA A 32 -3.487 32.168 -24.898 1.00 33.25 H new ATOM 0 HA ALA A 32 -6.125 33.251 -24.851 1.00 61.22 H new ATOM 0 HB1 ALA A 32 -5.316 34.512 -26.819 1.00 3.13 H new ATOM 0 HB2 ALA A 32 -4.146 34.559 -25.479 1.00 3.13 H new ATOM 0 HB3 ALA A 32 -3.863 33.485 -26.870 1.00 3.13 H new ATOM 418 N GLY A 33 -7.222 32.474 -27.068 1.00 1.33 N ATOM 419 CA GLY A 33 -8.002 31.739 -28.046 1.00 21.22 C ATOM 420 C GLY A 33 -8.315 32.565 -29.278 1.00 24.32 C ATOM 421 O GLY A 33 -9.117 32.160 -30.119 1.00 61.43 O ATOM 0 H GLY A 33 -7.584 33.400 -26.840 1.00 1.33 H new ATOM 0 HA2 GLY A 33 -7.456 30.843 -28.342 1.00 21.22 H new ATOM 0 HA3 GLY A 33 -8.934 31.408 -27.588 1.00 21.22 H new ATOM 425 N LYS A 34 -7.681 33.728 -29.385 1.00 31.32 N ATOM 426 CA LYS A 34 -7.895 34.614 -30.522 1.00 52.43 C ATOM 427 C LYS A 34 -7.509 33.927 -31.828 1.00 44.21 C ATOM 428 O LYS A 34 -7.274 32.719 -31.858 1.00 44.35 O ATOM 429 CB LYS A 34 -7.085 35.901 -30.352 1.00 11.43 C ATOM 430 CG LYS A 34 -5.594 35.715 -30.572 1.00 41.35 C ATOM 431 CD LYS A 34 -4.778 36.517 -29.573 1.00 2.33 C ATOM 432 CE LYS A 34 -3.285 36.308 -29.776 1.00 31.51 C ATOM 433 NZ LYS A 34 -2.502 36.685 -28.567 1.00 32.03 N ATOM 0 H LYS A 34 -7.014 34.079 -28.697 1.00 31.32 H new ATOM 0 HA LYS A 34 -8.956 34.862 -30.562 1.00 52.43 H new ATOM 0 HB2 LYS A 34 -7.456 36.649 -31.052 1.00 11.43 H new ATOM 0 HB3 LYS A 34 -7.249 36.294 -29.349 1.00 11.43 H new ATOM 0 HG2 LYS A 34 -5.342 34.658 -30.484 1.00 41.35 H new ATOM 0 HG3 LYS A 34 -5.334 36.022 -31.585 1.00 41.35 H new ATOM 0 HD2 LYS A 34 -5.015 37.576 -29.675 1.00 2.33 H new ATOM 0 HD3 LYS A 34 -5.053 36.225 -28.559 1.00 2.33 H new ATOM 0 HE2 LYS A 34 -3.095 35.263 -30.020 1.00 31.51 H new ATOM 0 HE3 LYS A 34 -2.948 36.901 -30.626 1.00 31.51 H new ATOM 0 HZ1 LYS A 34 -1.490 36.528 -28.746 1.00 32.03 H new ATOM 0 HZ2 LYS A 34 -2.663 37.689 -28.348 1.00 32.03 H new ATOM 0 HZ3 LYS A 34 -2.805 36.102 -27.761 1.00 32.03 H new ATOM 447 N TRP A 35 -7.444 34.704 -32.903 1.00 44.21 N ATOM 448 CA TRP A 35 -7.084 34.170 -34.212 1.00 24.44 C ATOM 449 C TRP A 35 -8.059 33.079 -34.641 1.00 41.22 C ATOM 450 O TRP A 35 -7.947 31.929 -34.215 1.00 65.12 O ATOM 451 CB TRP A 35 -5.659 33.615 -34.184 1.00 64.51 C ATOM 452 CG TRP A 35 -5.325 32.774 -35.379 1.00 74.14 C ATOM 453 CD1 TRP A 35 -5.199 31.415 -35.416 1.00 33.40 C ATOM 454 CD2 TRP A 35 -5.074 33.238 -36.710 1.00 51.13 C ATOM 455 NE1 TRP A 35 -4.885 31.006 -36.690 1.00 24.35 N ATOM 456 CE2 TRP A 35 -4.803 32.105 -37.502 1.00 50.24 C ATOM 457 CE3 TRP A 35 -5.054 34.500 -37.311 1.00 22.15 C ATOM 458 CZ2 TRP A 35 -4.514 32.199 -38.861 1.00 54.12 C ATOM 459 CZ3 TRP A 35 -4.767 34.591 -38.659 1.00 41.41 C ATOM 460 CH2 TRP A 35 -4.501 33.447 -39.423 1.00 31.03 C ATOM 0 H TRP A 35 -7.636 35.706 -32.894 1.00 44.21 H new ATOM 0 HA TRP A 35 -7.136 34.983 -34.936 1.00 24.44 H new ATOM 0 HB2 TRP A 35 -4.955 34.445 -34.124 1.00 64.51 H new ATOM 0 HB3 TRP A 35 -5.527 33.019 -33.281 1.00 64.51 H new ATOM 0 HD1 TRP A 35 -5.327 30.758 -34.569 1.00 33.40 H new ATOM 0 HE1 TRP A 35 -4.737 30.040 -36.983 1.00 24.35 H new ATOM 0 HE3 TRP A 35 -5.259 35.388 -36.732 1.00 22.15 H new ATOM 0 HZ2 TRP A 35 -4.307 31.318 -39.451 1.00 54.12 H new ATOM 0 HZ3 TRP A 35 -4.747 35.561 -39.133 1.00 41.41 H new ATOM 0 HH2 TRP A 35 -4.282 33.552 -40.475 1.00 31.03 H new ATOM 471 N LEU A 36 -9.015 33.447 -35.487 1.00 33.43 N ATOM 472 CA LEU A 36 -10.011 32.499 -35.974 1.00 70.55 C ATOM 473 C LEU A 36 -10.879 31.983 -34.831 1.00 5.24 C ATOM 474 O LEU A 36 -10.513 32.063 -33.657 1.00 75.35 O ATOM 475 CB LEU A 36 -9.326 31.326 -36.678 1.00 63.02 C ATOM 476 CG LEU A 36 -9.456 31.289 -38.201 1.00 63.53 C ATOM 477 CD1 LEU A 36 -8.327 32.072 -38.853 1.00 1.21 C ATOM 478 CD2 LEU A 36 -9.467 29.851 -38.700 1.00 42.04 C ATOM 0 H LEU A 36 -9.121 34.394 -35.850 1.00 33.43 H new ATOM 0 HA LEU A 36 -10.652 33.019 -36.686 1.00 70.55 H new ATOM 0 HB2 LEU A 36 -8.266 31.345 -36.424 1.00 63.02 H new ATOM 0 HB3 LEU A 36 -9.734 30.399 -36.276 1.00 63.02 H new ATOM 0 HG LEU A 36 -10.401 31.756 -38.477 1.00 63.53 H new ATOM 0 HD11 LEU A 36 -8.437 32.034 -39.937 1.00 1.21 H new ATOM 0 HD12 LEU A 36 -8.364 33.109 -38.521 1.00 1.21 H new ATOM 0 HD13 LEU A 36 -7.370 31.634 -38.570 1.00 1.21 H new ATOM 0 HD21 LEU A 36 -9.560 29.843 -39.786 1.00 42.04 H new ATOM 0 HD22 LEU A 36 -8.538 29.359 -38.412 1.00 42.04 H new ATOM 0 HD23 LEU A 36 -10.311 29.320 -38.260 1.00 42.04 H new ATOM 490 N PRO A 37 -12.055 31.440 -35.178 1.00 25.41 N ATOM 491 CA PRO A 37 -12.997 30.898 -34.195 1.00 32.41 C ATOM 492 C PRO A 37 -12.485 29.616 -33.546 1.00 13.20 C ATOM 493 O PRO A 37 -11.791 28.822 -34.180 1.00 12.44 O ATOM 494 CB PRO A 37 -14.251 30.612 -35.025 1.00 40.45 C ATOM 495 CG PRO A 37 -13.748 30.409 -36.413 1.00 30.11 C ATOM 496 CD PRO A 37 -12.554 31.312 -36.557 1.00 72.32 C ATOM 0 HA PRO A 37 -13.164 31.588 -33.368 1.00 32.41 H new ATOM 0 HB2 PRO A 37 -14.774 29.728 -34.660 1.00 40.45 H new ATOM 0 HB3 PRO A 37 -14.956 31.442 -34.977 1.00 40.45 H new ATOM 0 HG2 PRO A 37 -13.472 29.368 -36.580 1.00 30.11 H new ATOM 0 HG3 PRO A 37 -14.515 30.657 -37.146 1.00 30.11 H new ATOM 0 HD2 PRO A 37 -11.802 30.881 -37.218 1.00 72.32 H new ATOM 0 HD3 PRO A 37 -12.830 32.280 -36.976 1.00 72.32 H new ATOM 504 N GLY A 38 -12.833 29.420 -32.278 1.00 12.54 N ATOM 505 CA GLY A 38 -12.400 28.233 -31.564 1.00 51.24 C ATOM 506 C GLY A 38 -12.224 28.481 -30.079 1.00 72.23 C ATOM 507 O GLY A 38 -11.123 28.787 -29.619 1.00 73.04 O ATOM 0 H GLY A 38 -13.407 30.062 -31.732 1.00 12.54 H new ATOM 0 HA2 GLY A 38 -13.130 27.437 -31.712 1.00 51.24 H new ATOM 0 HA3 GLY A 38 -11.457 27.883 -31.985 1.00 51.24 H new ATOM 511 N LEU A 39 -13.311 28.350 -29.327 1.00 0.13 N ATOM 512 CA LEU A 39 -13.273 28.563 -27.884 1.00 43.40 C ATOM 513 C LEU A 39 -12.151 27.752 -27.243 1.00 51.32 C ATOM 514 O LEU A 39 -12.271 26.540 -27.066 1.00 23.21 O ATOM 515 CB LEU A 39 -14.615 28.183 -27.257 1.00 11.33 C ATOM 516 CG LEU A 39 -15.084 29.058 -26.093 1.00 63.31 C ATOM 517 CD1 LEU A 39 -16.521 28.728 -25.723 1.00 33.44 C ATOM 518 CD2 LEU A 39 -14.167 28.882 -24.891 1.00 34.30 C ATOM 0 H LEU A 39 -14.229 28.097 -29.692 1.00 0.13 H new ATOM 0 HA LEU A 39 -13.081 29.621 -27.703 1.00 43.40 H new ATOM 0 HB2 LEU A 39 -15.378 28.209 -28.035 1.00 11.33 H new ATOM 0 HB3 LEU A 39 -14.551 27.152 -26.908 1.00 11.33 H new ATOM 0 HG LEU A 39 -15.042 30.101 -26.407 1.00 63.31 H new ATOM 0 HD11 LEU A 39 -16.837 29.360 -24.893 1.00 33.44 H new ATOM 0 HD12 LEU A 39 -17.168 28.906 -26.582 1.00 33.44 H new ATOM 0 HD13 LEU A 39 -16.589 27.681 -25.428 1.00 33.44 H new ATOM 0 HD21 LEU A 39 -14.515 29.512 -24.072 1.00 34.30 H new ATOM 0 HD22 LEU A 39 -14.177 27.839 -24.576 1.00 34.30 H new ATOM 0 HD23 LEU A 39 -13.151 29.169 -25.163 1.00 34.30 H new ATOM 530 N PHE A 40 -11.062 28.430 -26.896 1.00 31.14 N ATOM 531 CA PHE A 40 -9.919 27.773 -26.273 1.00 20.42 C ATOM 532 C PHE A 40 -10.332 27.071 -24.982 1.00 62.02 C ATOM 533 O PHE A 40 -11.136 27.592 -24.210 1.00 14.12 O ATOM 534 CB PHE A 40 -8.814 28.791 -25.982 1.00 73.32 C ATOM 535 CG PHE A 40 -9.181 29.786 -24.918 1.00 62.43 C ATOM 536 CD1 PHE A 40 -9.976 30.880 -25.219 1.00 30.31 C ATOM 537 CD2 PHE A 40 -8.731 29.626 -23.618 1.00 5.53 C ATOM 538 CE1 PHE A 40 -10.314 31.797 -24.242 1.00 1.11 C ATOM 539 CE2 PHE A 40 -9.066 30.540 -22.636 1.00 44.44 C ATOM 540 CZ PHE A 40 -9.859 31.627 -22.949 1.00 32.41 C ATOM 0 H PHE A 40 -10.947 29.434 -27.036 1.00 31.14 H new ATOM 0 HA PHE A 40 -9.539 27.024 -26.968 1.00 20.42 H new ATOM 0 HB2 PHE A 40 -7.913 28.260 -25.676 1.00 73.32 H new ATOM 0 HB3 PHE A 40 -8.572 29.326 -26.901 1.00 73.32 H new ATOM 0 HD1 PHE A 40 -10.335 31.018 -26.228 1.00 30.31 H new ATOM 0 HD2 PHE A 40 -8.111 28.777 -23.368 1.00 5.53 H new ATOM 0 HE1 PHE A 40 -10.934 32.646 -24.489 1.00 1.11 H new ATOM 0 HE2 PHE A 40 -8.708 30.404 -21.626 1.00 44.44 H new ATOM 0 HZ PHE A 40 -10.123 32.342 -22.184 1.00 32.41 H new ATOM 550 N ARG A 41 -9.775 25.885 -24.756 1.00 53.42 N ATOM 551 CA ARG A 41 -10.086 25.111 -23.561 1.00 33.21 C ATOM 552 C ARG A 41 -8.853 24.961 -22.674 1.00 74.55 C ATOM 553 O ARG A 41 -7.737 25.275 -23.087 1.00 64.32 O ATOM 554 CB ARG A 41 -10.621 23.731 -23.947 1.00 35.43 C ATOM 555 CG ARG A 41 -9.958 23.143 -25.182 1.00 3.35 C ATOM 556 CD ARG A 41 -10.706 23.523 -26.450 1.00 23.11 C ATOM 557 NE ARG A 41 -10.507 22.544 -27.516 1.00 15.51 N ATOM 558 CZ ARG A 41 -10.846 22.759 -28.782 1.00 65.05 C ATOM 559 NH1 ARG A 41 -11.395 23.912 -29.139 1.00 72.53 N ATOM 560 NH2 ARG A 41 -10.633 21.820 -29.695 1.00 74.52 N ATOM 0 H ARG A 41 -9.106 25.440 -25.385 1.00 53.42 H new ATOM 0 HA ARG A 41 -10.852 25.647 -23.001 1.00 33.21 H new ATOM 0 HB2 ARG A 41 -10.479 23.048 -23.109 1.00 35.43 H new ATOM 0 HB3 ARG A 41 -11.695 23.803 -24.121 1.00 35.43 H new ATOM 0 HG2 ARG A 41 -8.928 23.495 -25.246 1.00 3.35 H new ATOM 0 HG3 ARG A 41 -9.918 22.057 -25.093 1.00 3.35 H new ATOM 0 HD2 ARG A 41 -11.770 23.610 -26.231 1.00 23.11 H new ATOM 0 HD3 ARG A 41 -10.370 24.503 -26.790 1.00 23.11 H new ATOM 0 HE ARG A 41 -10.085 21.647 -27.275 1.00 15.51 H new ATOM 0 HH11 ARG A 41 -11.558 24.637 -28.440 1.00 72.53 H new ATOM 0 HH12 ARG A 41 -11.654 24.074 -30.112 1.00 72.53 H new ATOM 0 HH21 ARG A 41 -10.209 20.933 -29.425 1.00 74.52 H new ATOM 0 HH22 ARG A 41 -10.894 21.986 -30.667 1.00 74.52 H new ATOM 574 N CYS A 42 -9.064 24.479 -21.454 1.00 62.31 N ATOM 575 CA CYS A 42 -7.971 24.287 -20.508 1.00 51.31 C ATOM 576 C CYS A 42 -7.351 22.902 -20.667 1.00 4.32 C ATOM 577 O CYS A 42 -8.050 21.920 -20.918 1.00 14.44 O ATOM 578 CB CYS A 42 -8.472 24.473 -19.074 1.00 63.33 C ATOM 579 SG CYS A 42 -7.963 26.045 -18.307 1.00 32.54 S ATOM 0 H CYS A 42 -9.982 24.214 -21.097 1.00 62.31 H new ATOM 0 HA CYS A 42 -7.206 25.034 -20.718 1.00 51.31 H new ATOM 0 HB2 CYS A 42 -9.560 24.415 -19.070 1.00 63.33 H new ATOM 0 HB3 CYS A 42 -8.107 23.648 -18.463 1.00 63.33 H new ATOM 584 N THR A 43 -6.031 22.830 -20.519 1.00 13.44 N ATOM 585 CA THR A 43 -5.316 21.567 -20.646 1.00 44.21 C ATOM 586 C THR A 43 -4.363 21.354 -19.475 1.00 14.21 C ATOM 587 O THR A 43 -3.757 22.302 -18.974 1.00 70.21 O ATOM 588 CB THR A 43 -4.516 21.505 -21.961 1.00 61.21 C ATOM 589 OG1 THR A 43 -3.672 22.656 -22.076 1.00 61.23 O ATOM 590 CG2 THR A 43 -5.450 21.433 -23.160 1.00 31.34 C ATOM 0 H THR A 43 -5.436 23.632 -20.311 1.00 13.44 H new ATOM 0 HA THR A 43 -6.067 20.777 -20.648 1.00 44.21 H new ATOM 0 HB THR A 43 -3.902 20.605 -21.944 1.00 61.21 H new ATOM 0 HG1 THR A 43 -3.166 22.608 -22.914 1.00 61.23 H new ATOM 0 HG21 THR A 43 -4.862 21.390 -24.077 1.00 31.34 H new ATOM 0 HG22 THR A 43 -6.071 20.540 -23.085 1.00 31.34 H new ATOM 0 HG23 THR A 43 -6.087 22.317 -23.179 1.00 31.34 H new ATOM 598 N CYS A 44 -4.235 20.104 -19.042 1.00 53.43 N ATOM 599 CA CYS A 44 -3.356 19.766 -17.930 1.00 11.03 C ATOM 600 C CYS A 44 -1.905 19.672 -18.392 1.00 60.12 C ATOM 601 O CYS A 44 -1.599 18.994 -19.373 1.00 30.14 O ATOM 602 CB CYS A 44 -3.788 18.442 -17.296 1.00 3.24 C ATOM 603 SG CYS A 44 -3.513 18.355 -15.497 1.00 31.11 S ATOM 0 H CYS A 44 -4.730 19.308 -19.445 1.00 53.43 H new ATOM 0 HA CYS A 44 -3.431 20.559 -17.186 1.00 11.03 H new ATOM 0 HB2 CYS A 44 -4.847 18.283 -17.499 1.00 3.24 H new ATOM 0 HB3 CYS A 44 -3.245 17.627 -17.776 1.00 3.24 H new ATOM 608 N GLN A 45 -1.017 20.357 -17.679 1.00 22.31 N ATOM 609 CA GLN A 45 0.402 20.350 -18.017 1.00 13.44 C ATOM 610 C GLN A 45 1.261 20.371 -16.757 1.00 2.10 C ATOM 611 O GLN A 45 0.795 20.744 -15.680 1.00 74.34 O ATOM 612 CB GLN A 45 0.742 21.551 -18.901 1.00 4.44 C ATOM 613 CG GLN A 45 0.215 21.430 -20.321 1.00 64.14 C ATOM 614 CD GLN A 45 0.578 20.107 -20.967 1.00 41.33 C ATOM 615 OE1 GLN A 45 1.667 19.574 -20.749 1.00 15.40 O ATOM 616 NE2 GLN A 45 -0.334 19.569 -21.768 1.00 54.31 N ATOM 0 H GLN A 45 -1.254 20.923 -16.865 1.00 22.31 H new ATOM 0 HA GLN A 45 0.616 19.432 -18.565 1.00 13.44 H new ATOM 0 HB2 GLN A 45 0.333 22.453 -18.446 1.00 4.44 H new ATOM 0 HB3 GLN A 45 1.825 21.673 -18.933 1.00 4.44 H new ATOM 0 HG2 GLN A 45 -0.869 21.541 -20.313 1.00 64.14 H new ATOM 0 HG3 GLN A 45 0.614 22.246 -20.924 1.00 64.14 H new ATOM 0 HE21 GLN A 45 -1.223 20.045 -21.920 1.00 54.31 H new ATOM 0 HE22 GLN A 45 -0.145 18.680 -22.231 1.00 54.31 H new ATOM 625 N VAL A 46 2.520 19.968 -16.899 1.00 30.13 N ATOM 626 CA VAL A 46 3.445 19.941 -15.772 1.00 64.34 C ATOM 627 C VAL A 46 3.577 21.320 -15.136 1.00 33.34 C ATOM 628 O VAL A 46 3.378 22.342 -15.793 1.00 63.35 O ATOM 629 CB VAL A 46 4.841 19.452 -16.204 1.00 72.11 C ATOM 630 CG1 VAL A 46 5.719 19.202 -14.988 1.00 21.32 C ATOM 631 CG2 VAL A 46 4.725 18.197 -17.056 1.00 21.33 C ATOM 0 H VAL A 46 2.922 19.656 -17.783 1.00 30.13 H new ATOM 0 HA VAL A 46 3.033 19.245 -15.041 1.00 64.34 H new ATOM 0 HB VAL A 46 5.310 20.230 -16.806 1.00 72.11 H new ATOM 0 HG11 VAL A 46 6.701 18.857 -15.313 1.00 21.32 H new ATOM 0 HG12 VAL A 46 5.828 20.127 -14.422 1.00 21.32 H new ATOM 0 HG13 VAL A 46 5.258 18.442 -14.357 1.00 21.32 H new ATOM 0 HG21 VAL A 46 5.720 17.865 -17.352 1.00 21.33 H new ATOM 0 HG22 VAL A 46 4.237 17.410 -16.481 1.00 21.33 H new ATOM 0 HG23 VAL A 46 4.135 18.415 -17.946 1.00 21.33 H new ATOM 641 N THR A 47 3.913 21.342 -13.850 1.00 1.24 N ATOM 642 CA THR A 47 4.071 22.595 -13.123 1.00 15.45 C ATOM 643 C THR A 47 5.073 22.448 -11.984 1.00 1.22 C ATOM 644 O THR A 47 4.878 21.644 -11.073 1.00 75.02 O ATOM 645 CB THR A 47 2.727 23.085 -12.549 1.00 23.42 C ATOM 646 OG1 THR A 47 1.642 22.503 -13.279 1.00 73.21 O ATOM 647 CG2 THR A 47 2.632 24.602 -12.612 1.00 24.43 C ATOM 0 H THR A 47 4.081 20.506 -13.291 1.00 1.24 H new ATOM 0 HA THR A 47 4.443 23.330 -13.837 1.00 15.45 H new ATOM 0 HB THR A 47 2.669 22.777 -11.505 1.00 23.42 H new ATOM 0 HG1 THR A 47 1.299 23.152 -13.928 1.00 73.21 H new ATOM 0 HG21 THR A 47 1.675 24.924 -12.201 1.00 24.43 H new ATOM 0 HG22 THR A 47 3.443 25.042 -12.031 1.00 24.43 H new ATOM 0 HG23 THR A 47 2.710 24.929 -13.649 1.00 24.43 H new ATOM 655 N GLU A 48 6.146 23.230 -12.041 1.00 45.45 N ATOM 656 CA GLU A 48 7.180 23.186 -11.013 1.00 73.35 C ATOM 657 C GLU A 48 7.255 24.510 -10.260 1.00 2.51 C ATOM 658 O GLU A 48 7.720 24.564 -9.121 1.00 72.42 O ATOM 659 CB GLU A 48 8.539 22.864 -11.639 1.00 33.24 C ATOM 660 CG GLU A 48 9.698 22.967 -10.662 1.00 12.24 C ATOM 661 CD GLU A 48 11.020 22.554 -11.279 1.00 52.31 C ATOM 662 OE1 GLU A 48 11.559 23.326 -12.099 1.00 41.21 O ATOM 663 OE2 GLU A 48 11.515 21.459 -10.941 1.00 70.54 O ATOM 0 H GLU A 48 6.322 23.902 -12.788 1.00 45.45 H new ATOM 0 HA GLU A 48 6.919 22.400 -10.305 1.00 73.35 H new ATOM 0 HB2 GLU A 48 8.510 21.855 -12.051 1.00 33.24 H new ATOM 0 HB3 GLU A 48 8.716 23.544 -12.473 1.00 33.24 H new ATOM 0 HG2 GLU A 48 9.774 23.993 -10.302 1.00 12.24 H new ATOM 0 HG3 GLU A 48 9.494 22.339 -9.795 1.00 12.24 H new ATOM 670 N SER A 49 6.795 25.578 -10.904 1.00 44.24 N ATOM 671 CA SER A 49 6.814 26.904 -10.298 1.00 4.11 C ATOM 672 C SER A 49 6.069 26.903 -8.967 1.00 10.42 C ATOM 673 O SER A 49 5.516 25.884 -8.553 1.00 52.31 O ATOM 674 CB SER A 49 6.189 27.930 -11.245 1.00 3.31 C ATOM 675 OG SER A 49 6.715 29.225 -11.012 1.00 42.55 O ATOM 0 H SER A 49 6.404 25.551 -11.846 1.00 44.24 H new ATOM 0 HA SER A 49 7.853 27.177 -10.113 1.00 4.11 H new ATOM 0 HB2 SER A 49 6.377 27.638 -12.278 1.00 3.31 H new ATOM 0 HB3 SER A 49 5.108 27.943 -11.109 1.00 3.31 H new ATOM 0 HG SER A 49 6.301 29.862 -11.631 1.00 42.55 H new ATOM 681 N ASP A 50 6.059 28.053 -8.301 1.00 61.10 N ATOM 682 CA ASP A 50 5.381 28.187 -7.017 1.00 23.12 C ATOM 683 C ASP A 50 3.886 27.919 -7.161 1.00 24.01 C ATOM 684 O ASP A 50 3.223 27.510 -6.208 1.00 0.24 O ATOM 685 CB ASP A 50 5.608 29.585 -6.440 1.00 22.04 C ATOM 686 CG ASP A 50 6.985 29.741 -5.825 1.00 21.02 C ATOM 687 OD1 ASP A 50 7.958 29.918 -6.587 1.00 22.10 O ATOM 688 OD2 ASP A 50 7.090 29.685 -4.581 1.00 51.34 O ATOM 0 H ASP A 50 6.513 28.905 -8.629 1.00 61.10 H new ATOM 0 HA ASP A 50 5.800 27.448 -6.334 1.00 23.12 H new ATOM 0 HB2 ASP A 50 5.480 30.326 -7.229 1.00 22.04 H new ATOM 0 HB3 ASP A 50 4.850 29.790 -5.684 1.00 22.04 H new ATOM 693 N LYS A 51 3.361 28.153 -8.359 1.00 3.12 N ATOM 694 CA LYS A 51 1.945 27.937 -8.629 1.00 51.43 C ATOM 695 C LYS A 51 1.698 26.521 -9.137 1.00 74.52 C ATOM 696 O LYS A 51 1.959 26.213 -10.300 1.00 73.23 O ATOM 697 CB LYS A 51 1.440 28.954 -9.656 1.00 20.02 C ATOM 698 CG LYS A 51 1.896 30.376 -9.379 1.00 23.02 C ATOM 699 CD LYS A 51 2.927 30.839 -10.395 1.00 32.10 C ATOM 700 CE LYS A 51 3.651 32.091 -9.924 1.00 32.11 C ATOM 701 NZ LYS A 51 4.467 32.701 -11.010 1.00 3.05 N ATOM 0 H LYS A 51 3.896 28.492 -9.159 1.00 3.12 H new ATOM 0 HA LYS A 51 1.398 28.070 -7.695 1.00 51.43 H new ATOM 0 HB2 LYS A 51 1.783 28.658 -10.647 1.00 20.02 H new ATOM 0 HB3 LYS A 51 0.350 28.928 -9.675 1.00 20.02 H new ATOM 0 HG2 LYS A 51 1.036 31.046 -9.401 1.00 23.02 H new ATOM 0 HG3 LYS A 51 2.320 30.434 -8.377 1.00 23.02 H new ATOM 0 HD2 LYS A 51 3.651 30.043 -10.569 1.00 32.10 H new ATOM 0 HD3 LYS A 51 2.436 31.038 -11.348 1.00 32.10 H new ATOM 0 HE2 LYS A 51 2.923 32.818 -9.565 1.00 32.11 H new ATOM 0 HE3 LYS A 51 4.296 31.842 -9.081 1.00 32.11 H new ATOM 0 HZ1 LYS A 51 4.945 33.552 -10.649 1.00 3.05 H new ATOM 0 HZ2 LYS A 51 5.179 32.016 -11.336 1.00 3.05 H new ATOM 0 HZ3 LYS A 51 3.848 32.962 -11.804 1.00 3.05 H new ATOM 715 N VAL A 52 1.191 25.662 -8.258 1.00 61.52 N ATOM 716 CA VAL A 52 0.906 24.278 -8.619 1.00 30.23 C ATOM 717 C VAL A 52 -0.484 23.863 -8.151 1.00 15.44 C ATOM 718 O VAL A 52 -1.223 24.665 -7.581 1.00 54.43 O ATOM 719 CB VAL A 52 1.947 23.315 -8.016 1.00 55.14 C ATOM 720 CG1 VAL A 52 3.267 23.420 -8.764 1.00 70.11 C ATOM 721 CG2 VAL A 52 2.140 23.599 -6.534 1.00 55.14 C ATOM 0 H VAL A 52 0.969 25.900 -7.291 1.00 61.52 H new ATOM 0 HA VAL A 52 0.953 24.218 -9.706 1.00 30.23 H new ATOM 0 HB VAL A 52 1.577 22.295 -8.121 1.00 55.14 H new ATOM 0 HG11 VAL A 52 3.990 22.733 -8.324 1.00 70.11 H new ATOM 0 HG12 VAL A 52 3.113 23.163 -9.812 1.00 70.11 H new ATOM 0 HG13 VAL A 52 3.646 24.440 -8.693 1.00 70.11 H new ATOM 0 HG21 VAL A 52 2.878 22.910 -6.125 1.00 55.14 H new ATOM 0 HG22 VAL A 52 2.488 24.624 -6.402 1.00 55.14 H new ATOM 0 HG23 VAL A 52 1.192 23.468 -6.012 1.00 55.14 H new ATOM 731 N ASN A 53 -0.834 22.605 -8.395 1.00 32.45 N ATOM 732 CA ASN A 53 -2.137 22.083 -7.998 1.00 20.32 C ATOM 733 C ASN A 53 -2.416 22.376 -6.527 1.00 4.02 C ATOM 734 O ASN A 53 -1.574 22.130 -5.663 1.00 22.03 O ATOM 735 CB ASN A 53 -2.204 20.575 -8.250 1.00 51.14 C ATOM 736 CG ASN A 53 -3.615 20.031 -8.132 1.00 3.32 C ATOM 737 OD1 ASN A 53 -4.408 20.504 -7.317 1.00 43.04 O ATOM 738 ND2 ASN A 53 -3.934 19.032 -8.946 1.00 42.01 N ATOM 0 H ASN A 53 -0.234 21.928 -8.866 1.00 32.45 H new ATOM 0 HA ASN A 53 -2.898 22.580 -8.600 1.00 20.32 H new ATOM 0 HB2 ASN A 53 -1.816 20.358 -9.245 1.00 51.14 H new ATOM 0 HB3 ASN A 53 -1.559 20.061 -7.537 1.00 51.14 H new ATOM 0 HD21 ASN A 53 -4.869 18.625 -8.912 1.00 42.01 H new ATOM 0 HD22 ASN A 53 -3.245 18.672 -9.606 1.00 42.01 H new ATOM 745 N LYS A 54 -3.603 22.903 -6.249 1.00 12.11 N ATOM 746 CA LYS A 54 -3.996 23.229 -4.883 1.00 24.10 C ATOM 747 C LYS A 54 -3.913 21.999 -3.985 1.00 71.41 C ATOM 748 O LYS A 54 -3.774 22.115 -2.767 1.00 65.51 O ATOM 749 CB LYS A 54 -5.417 23.796 -4.860 1.00 61.32 C ATOM 750 CG LYS A 54 -6.399 23.010 -5.712 1.00 22.22 C ATOM 751 CD LYS A 54 -6.806 23.786 -6.953 1.00 64.33 C ATOM 752 CE LYS A 54 -6.686 22.933 -8.207 1.00 41.44 C ATOM 753 NZ LYS A 54 -7.052 23.696 -9.433 1.00 70.42 N ATOM 0 H LYS A 54 -4.311 23.114 -6.952 1.00 12.11 H new ATOM 0 HA LYS A 54 -3.306 23.982 -4.503 1.00 24.10 H new ATOM 0 HB2 LYS A 54 -5.775 23.814 -3.831 1.00 61.32 H new ATOM 0 HB3 LYS A 54 -5.393 24.829 -5.208 1.00 61.32 H new ATOM 0 HG2 LYS A 54 -5.949 22.062 -6.006 1.00 22.22 H new ATOM 0 HG3 LYS A 54 -7.285 22.773 -5.123 1.00 22.22 H new ATOM 0 HD2 LYS A 54 -7.833 24.134 -6.845 1.00 64.33 H new ATOM 0 HD3 LYS A 54 -6.178 24.671 -7.052 1.00 64.33 H new ATOM 0 HE2 LYS A 54 -5.664 22.565 -8.300 1.00 41.44 H new ATOM 0 HE3 LYS A 54 -7.332 22.060 -8.116 1.00 41.44 H new ATOM 0 HZ1 LYS A 54 -6.752 23.164 -10.275 1.00 70.42 H new ATOM 0 HZ2 LYS A 54 -8.082 23.836 -9.460 1.00 70.42 H new ATOM 0 HZ3 LYS A 54 -6.577 24.621 -9.421 1.00 70.42 H new ATOM 767 N CYS A 55 -3.999 20.821 -4.594 1.00 22.41 N ATOM 768 CA CYS A 55 -3.933 19.568 -3.850 1.00 41.33 C ATOM 769 C CYS A 55 -2.497 19.253 -3.443 1.00 24.41 C ATOM 770 O CYS A 55 -1.536 19.661 -4.095 1.00 42.32 O ATOM 771 CB CYS A 55 -4.500 18.422 -4.690 1.00 32.02 C ATOM 772 SG CYS A 55 -6.093 17.776 -4.087 1.00 14.52 S ATOM 0 H CYS A 55 -4.115 20.708 -5.601 1.00 22.41 H new ATOM 0 HA CYS A 55 -4.532 19.678 -2.946 1.00 41.33 H new ATOM 0 HB2 CYS A 55 -4.625 18.766 -5.717 1.00 32.02 H new ATOM 0 HB3 CYS A 55 -3.775 17.608 -4.712 1.00 32.02 H new ATOM 777 N PRO A 56 -2.345 18.507 -2.338 1.00 14.30 N ATOM 778 CA PRO A 56 -1.031 18.119 -1.819 1.00 4.22 C ATOM 779 C PRO A 56 -0.329 17.106 -2.717 1.00 4.23 C ATOM 780 O PRO A 56 -0.926 16.525 -3.623 1.00 31.34 O ATOM 781 CB PRO A 56 -1.356 17.494 -0.460 1.00 52.10 C ATOM 782 CG PRO A 56 -2.760 17.014 -0.591 1.00 34.03 C ATOM 783 CD PRO A 56 -3.446 17.986 -1.511 1.00 33.41 C ATOM 0 HA PRO A 56 -0.349 18.968 -1.761 1.00 4.22 H new ATOM 0 HB2 PRO A 56 -0.677 16.673 -0.229 1.00 52.10 H new ATOM 0 HB3 PRO A 56 -1.260 18.223 0.344 1.00 52.10 H new ATOM 0 HG2 PRO A 56 -2.790 16.003 -0.998 1.00 34.03 H new ATOM 0 HG3 PRO A 56 -3.253 16.981 0.380 1.00 34.03 H new ATOM 0 HD2 PRO A 56 -4.207 17.496 -2.118 1.00 33.41 H new ATOM 0 HD3 PRO A 56 -3.944 18.782 -0.956 1.00 33.41 H new ATOM 791 N PRO A 57 0.970 16.888 -2.462 1.00 30.13 N ATOM 792 CA PRO A 57 1.781 15.944 -3.236 1.00 31.41 C ATOM 793 C PRO A 57 1.386 14.493 -2.979 1.00 12.45 C ATOM 794 O PRO A 57 2.229 13.660 -2.648 1.00 13.01 O ATOM 795 CB PRO A 57 3.204 16.207 -2.738 1.00 21.55 C ATOM 796 CG PRO A 57 3.029 16.761 -1.366 1.00 52.20 C ATOM 797 CD PRO A 57 1.746 17.546 -1.397 1.00 65.15 C ATOM 0 HA PRO A 57 1.658 16.086 -4.310 1.00 31.41 H new ATOM 0 HB2 PRO A 57 3.794 15.290 -2.723 1.00 21.55 H new ATOM 0 HB3 PRO A 57 3.726 16.911 -3.386 1.00 21.55 H new ATOM 0 HG2 PRO A 57 2.980 15.962 -0.626 1.00 52.20 H new ATOM 0 HG3 PRO A 57 3.870 17.398 -1.092 1.00 52.20 H new ATOM 0 HD2 PRO A 57 1.227 17.507 -0.439 1.00 65.15 H new ATOM 0 HD3 PRO A 57 1.924 18.598 -1.620 1.00 65.15 H new ATOM 805 N ALA A 58 0.099 14.199 -3.133 1.00 0.32 N ATOM 806 CA ALA A 58 -0.407 12.849 -2.919 1.00 62.04 C ATOM 807 C ALA A 58 0.029 12.307 -1.562 1.00 42.52 C ATOM 808 O ALA A 58 1.000 11.558 -1.466 1.00 61.33 O ATOM 809 CB ALA A 58 0.064 11.927 -4.034 1.00 24.40 C ATOM 0 H ALA A 58 -0.612 14.878 -3.405 1.00 0.32 H new ATOM 0 HA ALA A 58 -1.496 12.890 -2.931 1.00 62.04 H new ATOM 0 HB1 ALA A 58 -0.321 10.922 -3.862 1.00 24.40 H new ATOM 0 HB2 ALA A 58 -0.303 12.297 -4.991 1.00 24.40 H new ATOM 0 HB3 ALA A 58 1.154 11.901 -4.048 1.00 24.40 H new ATOM 815 N GLU A 59 -0.695 12.693 -0.516 1.00 4.20 N ATOM 816 CA GLU A 59 -0.380 12.247 0.836 1.00 31.40 C ATOM 817 C GLU A 59 -1.652 11.898 1.604 1.00 51.52 C ATOM 818 O GLU A 59 -1.601 11.241 2.643 1.00 52.04 O ATOM 819 CB GLU A 59 0.401 13.328 1.585 1.00 22.04 C ATOM 820 CG GLU A 59 -0.451 14.514 2.005 1.00 21.24 C ATOM 821 CD GLU A 59 0.381 15.713 2.418 1.00 33.44 C ATOM 822 OE1 GLU A 59 1.514 15.511 2.903 1.00 34.12 O ATOM 823 OE2 GLU A 59 -0.102 16.853 2.256 1.00 31.03 O ATOM 0 H GLU A 59 -1.503 13.313 -0.579 1.00 4.20 H new ATOM 0 HA GLU A 59 0.236 11.351 0.761 1.00 31.40 H new ATOM 0 HB2 GLU A 59 0.857 12.887 2.471 1.00 22.04 H new ATOM 0 HB3 GLU A 59 1.214 13.682 0.951 1.00 22.04 H new ATOM 0 HG2 GLU A 59 -1.105 14.797 1.180 1.00 21.24 H new ATOM 0 HG3 GLU A 59 -1.094 14.219 2.835 1.00 21.24 H new TER 830 GLU A 59