USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 221 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 4 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0.905 (180deg=0.622) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.47) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.629 -0.366 1.502 1.00 0.00 N ATOM 17 CA GLY A 2 -7.189 -0.549 1.739 1.00 0.00 C ATOM 18 C GLY A 2 -6.872 -1.224 3.081 1.00 0.00 C ATOM 19 O GLY A 2 -7.656 -2.040 3.572 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.769 -1.148 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.696 0.423 1.704 1.00 0.00 H new ATOM 23 N ILE A 3 -5.715 -0.888 3.659 1.00 0.00 N ATOM 24 CA ILE A 3 -5.200 -1.440 4.929 1.00 0.00 C ATOM 25 C ILE A 3 -4.765 -0.316 5.890 1.00 0.00 C ATOM 26 O ILE A 3 -4.887 0.866 5.565 1.00 0.00 O ATOM 27 CB ILE A 3 -4.077 -2.478 4.668 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.792 -1.823 4.113 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.594 -3.614 3.764 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.682 -2.829 3.779 1.00 0.00 C ATOM 0 H ILE A 3 -5.084 -0.201 3.246 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.009 -1.974 5.427 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.796 -2.916 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.041 -1.259 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.414 -1.108 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.794 -4.334 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.432 -4.113 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.922 -3.200 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.812 -2.297 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.404 -3.376 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.041 -3.529 3.025 1.00 0.00 H new ATOM 41 N ASN A 4 -4.251 -0.667 7.075 1.00 0.00 N ATOM 42 CA ASN A 4 -3.803 0.292 8.094 1.00 0.00 C ATOM 43 C ASN A 4 -2.397 -0.061 8.612 1.00 0.00 C ATOM 44 O ASN A 4 -2.235 -0.739 9.627 1.00 0.00 O ATOM 45 CB ASN A 4 -4.867 0.403 9.202 1.00 0.00 C ATOM 46 CG ASN A 4 -4.543 1.513 10.192 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.605 2.694 9.877 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.175 1.183 11.411 1.00 0.00 N ATOM 0 H ASN A 4 -4.133 -1.640 7.358 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.702 1.283 7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.842 0.591 8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.939 -0.547 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.943 1.910 12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.122 0.200 11.679 1.00 0.00 H new ATOM 54 N VAL A 5 -1.375 0.377 7.870 1.00 0.00 N ATOM 55 CA VAL A 5 0.054 0.094 8.111 1.00 0.00 C ATOM 56 C VAL A 5 0.853 1.373 7.831 1.00 0.00 C ATOM 57 O VAL A 5 0.504 2.124 6.920 1.00 0.00 O ATOM 58 CB VAL A 5 0.549 -1.050 7.188 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.962 -1.523 7.560 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.363 -2.286 7.203 1.00 0.00 C ATOM 0 H VAL A 5 -1.521 0.964 7.049 1.00 0.00 H new ATOM 0 HA VAL A 5 0.194 -0.222 9.145 1.00 0.00 H new ATOM 0 HB VAL A 5 0.541 -0.609 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.266 -2.325 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.660 -0.690 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.964 -1.891 8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.043 -3.046 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.419 -2.685 8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.362 -2.005 6.868 1.00 0.00 H new ATOM 70 N LYS A 6 1.919 1.656 8.588 1.00 0.00 N ATOM 71 CA LYS A 6 2.819 2.800 8.323 1.00 0.00 C ATOM 72 C LYS A 6 3.621 2.641 7.014 1.00 0.00 C ATOM 73 O LYS A 6 3.664 1.560 6.427 1.00 0.00 O ATOM 74 CB LYS A 6 3.743 3.022 9.540 1.00 0.00 C ATOM 75 CG LYS A 6 3.747 4.469 10.048 1.00 0.00 C ATOM 76 CD LYS A 6 2.377 4.919 10.586 1.00 0.00 C ATOM 77 CE LYS A 6 2.438 6.371 11.057 1.00 0.00 C ATOM 78 NZ LYS A 6 1.133 6.837 11.598 1.00 0.00 N ATOM 0 H LYS A 6 2.188 1.103 9.402 1.00 0.00 H new ATOM 0 HA LYS A 6 2.202 3.687 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.430 2.362 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.760 2.737 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.492 4.570 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.049 5.132 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.622 4.815 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.075 4.275 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.205 6.471 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.734 7.010 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.218 7.827 11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.405 6.766 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.862 6.244 12.408 1.00 0.00 H new ATOM 88 N CYS A 7 4.282 3.709 6.565 1.00 0.00 N ATOM 89 CA CYS A 7 5.181 3.705 5.404 1.00 0.00 C ATOM 90 C CYS A 7 6.223 4.838 5.457 1.00 0.00 C ATOM 91 O CYS A 7 6.042 5.831 6.166 1.00 0.00 O ATOM 92 CB CYS A 7 4.344 3.755 4.112 1.00 0.00 C ATOM 93 SG CYS A 7 3.061 5.037 4.011 1.00 0.00 S ATOM 0 H CYS A 7 4.207 4.625 7.008 1.00 0.00 H new ATOM 0 HA CYS A 7 5.756 2.779 5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.025 3.890 3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.865 2.785 3.981 1.00 0.00 H new ATOM 97 N LYS A 8 7.323 4.684 4.699 1.00 0.00 N ATOM 98 CA LYS A 8 8.511 5.566 4.760 1.00 0.00 C ATOM 99 C LYS A 8 8.891 6.223 3.422 1.00 0.00 C ATOM 100 O LYS A 8 9.598 7.229 3.417 1.00 0.00 O ATOM 101 CB LYS A 8 9.679 4.747 5.354 1.00 0.00 C ATOM 102 CG LYS A 8 10.790 5.580 6.025 1.00 0.00 C ATOM 103 CD LYS A 8 11.126 5.027 7.423 1.00 0.00 C ATOM 104 CE LYS A 8 12.234 5.804 8.151 1.00 0.00 C ATOM 105 NZ LYS A 8 13.591 5.497 7.624 1.00 0.00 N ATOM 0 H LYS A 8 7.417 3.933 4.015 1.00 0.00 H new ATOM 0 HA LYS A 8 8.267 6.414 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.276 4.049 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.125 4.150 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.684 5.570 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.471 6.619 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.224 5.041 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.430 3.985 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.045 6.873 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.200 5.568 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.300 6.047 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.786 4.482 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.637 5.747 6.616 1.00 0.00 H new ATOM 115 N HIS A 9 8.380 5.690 2.305 1.00 0.00 N ATOM 116 CA HIS A 9 8.531 6.234 0.945 1.00 0.00 C ATOM 117 C HIS A 9 7.290 5.935 0.071 1.00 0.00 C ATOM 118 O HIS A 9 6.417 6.791 -0.056 1.00 0.00 O ATOM 119 CB HIS A 9 9.817 5.686 0.287 1.00 0.00 C ATOM 120 CG HIS A 9 11.069 6.458 0.609 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.537 7.557 -0.071 1.00 0.00 N ATOM 122 CD2 HIS A 9 11.978 6.166 1.590 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.700 7.934 0.490 1.00 0.00 C ATOM 124 NE2 HIS A 9 13.014 7.110 1.507 1.00 0.00 N ATOM 0 H HIS A 9 7.827 4.833 2.322 1.00 0.00 H new ATOM 0 HA HIS A 9 8.616 7.318 1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.955 4.651 0.599 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.680 5.678 -0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.910 5.355 2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.296 8.776 0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.842 7.161 2.101 1.00 0.00 H new ATOM 132 N SER A 10 7.195 4.724 -0.502 1.00 0.00 N ATOM 133 CA SER A 10 6.080 4.269 -1.366 1.00 0.00 C ATOM 134 C SER A 10 6.204 2.780 -1.722 1.00 0.00 C ATOM 135 O SER A 10 5.296 2.003 -1.427 1.00 0.00 O ATOM 136 CB SER A 10 5.997 5.111 -2.649 1.00 0.00 C ATOM 137 OG SER A 10 7.255 5.158 -3.320 1.00 0.00 O ATOM 0 H SER A 10 7.911 4.009 -0.376 1.00 0.00 H new ATOM 0 HA SER A 10 5.161 4.404 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.243 4.691 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.676 6.123 -2.402 1.00 0.00 H new ATOM 0 HG SER A 10 7.172 5.699 -4.133 1.00 0.00 H new ATOM 142 N ARG A 11 7.356 2.344 -2.255 1.00 0.00 N ATOM 143 CA ARG A 11 7.671 0.931 -2.574 1.00 0.00 C ATOM 144 C ARG A 11 7.623 -0.023 -1.375 1.00 0.00 C ATOM 145 O ARG A 11 7.475 -1.231 -1.567 1.00 0.00 O ATOM 146 CB ARG A 11 9.038 0.841 -3.279 1.00 0.00 C ATOM 147 CG ARG A 11 8.929 1.064 -4.797 1.00 0.00 C ATOM 148 CD ARG A 11 10.283 0.945 -5.515 1.00 0.00 C ATOM 149 NE ARG A 11 10.912 -0.383 -5.354 1.00 0.00 N ATOM 150 CZ ARG A 11 10.712 -1.469 -6.083 1.00 0.00 C ATOM 151 NH1 ARG A 11 9.827 -1.522 -7.040 1.00 0.00 N ATOM 152 NH2 ARG A 11 11.408 -2.547 -5.857 1.00 0.00 N ATOM 0 H ARG A 11 8.121 2.979 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 11 6.877 0.595 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.713 1.583 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.478 -0.138 -3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.235 0.337 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.509 2.052 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.143 1.147 -6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.959 1.709 -5.131 1.00 0.00 H new ATOM 0 HE ARG A 11 11.581 -0.473 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.255 -0.704 -7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.707 -2.381 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.109 -2.555 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.252 -3.383 -6.421 1.00 0.00 H new ATOM 163 N GLN A 12 7.706 0.490 -0.146 1.00 0.00 N ATOM 164 CA GLN A 12 7.548 -0.307 1.078 1.00 0.00 C ATOM 165 C GLN A 12 6.076 -0.674 1.361 1.00 0.00 C ATOM 166 O GLN A 12 5.823 -1.623 2.099 1.00 0.00 O ATOM 167 CB GLN A 12 8.154 0.412 2.297 1.00 0.00 C ATOM 168 CG GLN A 12 9.533 1.051 2.035 1.00 0.00 C ATOM 169 CD GLN A 12 10.365 1.374 3.280 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.552 1.654 3.192 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.816 1.358 4.478 1.00 0.00 N ATOM 0 H GLN A 12 7.886 1.478 0.032 1.00 0.00 H new ATOM 0 HA GLN A 12 8.093 -1.236 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.463 1.188 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.247 -0.301 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.110 0.378 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.385 1.972 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.828 1.128 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.379 1.576 5.300 1.00 0.00 H new ATOM 178 N CYS A 13 5.102 0.043 0.772 1.00 0.00 N ATOM 179 CA CYS A 13 3.664 -0.248 0.879 1.00 0.00 C ATOM 180 C CYS A 13 3.186 -1.283 -0.158 1.00 0.00 C ATOM 181 O CYS A 13 2.241 -2.027 0.102 1.00 0.00 O ATOM 182 CB CYS A 13 2.896 1.079 0.763 1.00 0.00 C ATOM 183 SG CYS A 13 1.092 0.979 0.684 1.00 0.00 S ATOM 0 H CYS A 13 5.300 0.860 0.195 1.00 0.00 H new ATOM 0 HA CYS A 13 3.466 -0.707 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.164 1.701 1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.246 1.596 -0.130 1.00 0.00 H new ATOM 187 N LEU A 14 3.856 -1.410 -1.313 1.00 0.00 N ATOM 188 CA LEU A 14 3.543 -2.464 -2.290 1.00 0.00 C ATOM 189 C LEU A 14 3.674 -3.875 -1.696 1.00 0.00 C ATOM 190 O LEU A 14 2.861 -4.735 -2.029 1.00 0.00 O ATOM 191 CB LEU A 14 4.418 -2.295 -3.553 1.00 0.00 C ATOM 192 CG LEU A 14 3.830 -1.356 -4.624 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.846 -1.140 -5.747 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.562 -1.935 -5.263 1.00 0.00 C ATOM 0 H LEU A 14 4.619 -0.795 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 14 2.496 -2.352 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.395 -1.915 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.581 -3.276 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 14 3.588 -0.420 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.421 -0.475 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.752 -0.693 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.090 -2.098 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.182 -1.240 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.796 -2.888 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.805 -2.090 -4.494 1.00 0.00 H new ATOM 205 N LYS A 15 4.647 -4.121 -0.799 1.00 0.00 N ATOM 206 CA LYS A 15 4.806 -5.432 -0.127 1.00 0.00 C ATOM 207 C LYS A 15 3.528 -5.850 0.632 1.00 0.00 C ATOM 208 O LYS A 15 2.935 -6.861 0.246 1.00 0.00 O ATOM 209 CB LYS A 15 6.049 -5.458 0.792 1.00 0.00 C ATOM 210 CG LYS A 15 7.311 -6.110 0.196 1.00 0.00 C ATOM 211 CD LYS A 15 8.239 -5.160 -0.577 1.00 0.00 C ATOM 212 CE LYS A 15 7.743 -4.845 -1.992 1.00 0.00 C ATOM 213 NZ LYS A 15 8.529 -3.743 -2.606 1.00 0.00 N ATOM 0 H LYS A 15 5.340 -3.427 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 15 4.968 -6.172 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.291 -4.433 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.788 -5.987 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.880 -6.568 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.003 -6.914 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.340 -4.229 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.232 -5.604 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.817 -5.738 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.689 -4.568 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.432 -3.782 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.174 -2.829 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.531 -3.846 -2.348 1.00 0.00 H new ATOM 223 N PRO A 16 3.047 -5.099 1.644 1.00 0.00 N ATOM 224 CA PRO A 16 1.837 -5.466 2.375 1.00 0.00 C ATOM 225 C PRO A 16 0.562 -5.390 1.520 1.00 0.00 C ATOM 226 O PRO A 16 -0.290 -6.262 1.663 1.00 0.00 O ATOM 227 CB PRO A 16 1.784 -4.555 3.606 1.00 0.00 C ATOM 228 CG PRO A 16 2.607 -3.341 3.194 1.00 0.00 C ATOM 229 CD PRO A 16 3.668 -3.944 2.276 1.00 0.00 C ATOM 0 HA PRO A 16 1.879 -6.514 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.760 -4.278 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.205 -5.044 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.000 -2.598 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.053 -2.844 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.994 -3.220 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.552 -4.238 2.842 1.00 0.00 H new ATOM 234 N CYS A 17 0.426 -4.436 0.586 1.00 0.00 N ATOM 235 CA CYS A 17 -0.742 -4.390 -0.306 1.00 0.00 C ATOM 236 C CYS A 17 -0.875 -5.646 -1.180 1.00 0.00 C ATOM 237 O CYS A 17 -1.949 -6.253 -1.227 1.00 0.00 O ATOM 238 CB CYS A 17 -0.691 -3.144 -1.199 1.00 0.00 C ATOM 239 SG CYS A 17 -1.046 -1.579 -0.371 1.00 0.00 S ATOM 0 H CYS A 17 1.105 -3.691 0.430 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.620 -4.347 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.300 -3.081 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.403 -3.273 -2.014 1.00 0.00 H new ATOM 243 N LYS A 18 0.204 -6.058 -1.863 1.00 0.00 N ATOM 244 CA LYS A 18 0.177 -7.243 -2.733 1.00 0.00 C ATOM 245 C LYS A 18 -0.028 -8.533 -1.930 1.00 0.00 C ATOM 246 O LYS A 18 -0.820 -9.385 -2.332 1.00 0.00 O ATOM 247 CB LYS A 18 1.455 -7.296 -3.588 1.00 0.00 C ATOM 248 CG LYS A 18 1.218 -8.038 -4.912 1.00 0.00 C ATOM 249 CD LYS A 18 2.517 -8.182 -5.719 1.00 0.00 C ATOM 250 CE LYS A 18 2.254 -8.636 -7.164 1.00 0.00 C ATOM 251 NZ LYS A 18 1.759 -7.525 -8.022 1.00 0.00 N ATOM 0 H LYS A 18 1.108 -5.587 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.679 -7.159 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.798 -6.282 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.248 -7.793 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.805 -9.026 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.479 -7.499 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.044 -7.228 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.171 -8.902 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.173 -9.039 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.523 -9.444 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.596 -7.878 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.868 -7.156 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.467 -6.764 -8.047 1.00 0.00 H new ATOM 261 N ASP A 19 0.618 -8.650 -0.768 1.00 0.00 N ATOM 262 CA ASP A 19 0.485 -9.819 0.110 1.00 0.00 C ATOM 263 C ASP A 19 -0.889 -9.902 0.811 1.00 0.00 C ATOM 264 O ASP A 19 -1.372 -11.005 1.082 1.00 0.00 O ATOM 265 CB ASP A 19 1.640 -9.820 1.113 1.00 0.00 C ATOM 266 CG ASP A 19 1.793 -11.187 1.807 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.211 -12.164 1.136 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.515 -11.296 3.028 1.00 0.00 O ATOM 0 H ASP A 19 1.250 -7.936 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 19 0.538 -10.715 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.568 -9.567 0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.470 -9.048 1.864 1.00 0.00 H new ATOM 272 N ALA A 20 -1.567 -8.769 1.041 1.00 0.00 N ATOM 273 CA ALA A 20 -2.956 -8.718 1.511 1.00 0.00 C ATOM 274 C ALA A 20 -3.984 -9.138 0.436 1.00 0.00 C ATOM 275 O ALA A 20 -5.134 -9.433 0.772 1.00 0.00 O ATOM 276 CB ALA A 20 -3.250 -7.299 2.015 1.00 0.00 C ATOM 0 H ALA A 20 -1.156 -7.846 0.903 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.062 -9.444 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.280 -7.244 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.572 -7.056 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.107 -6.587 1.202 1.00 0.00 H new ATOM 282 N GLY A 21 -3.592 -9.163 -0.845 1.00 0.00 N ATOM 283 CA GLY A 21 -4.427 -9.581 -1.979 1.00 0.00 C ATOM 284 C GLY A 21 -4.971 -8.436 -2.848 1.00 0.00 C ATOM 285 O GLY A 21 -5.669 -8.698 -3.830 1.00 0.00 O ATOM 0 H GLY A 21 -2.653 -8.883 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.844 -10.250 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.269 -10.157 -1.596 1.00 0.00 H new ATOM 289 N MET A 22 -4.683 -7.177 -2.510 1.00 0.00 N ATOM 290 CA MET A 22 -5.078 -6.003 -3.303 1.00 0.00 C ATOM 291 C MET A 22 -4.205 -5.832 -4.563 1.00 0.00 C ATOM 292 O MET A 22 -3.117 -6.412 -4.665 1.00 0.00 O ATOM 293 CB MET A 22 -4.992 -4.744 -2.433 1.00 0.00 C ATOM 294 CG MET A 22 -6.148 -4.614 -1.434 1.00 0.00 C ATOM 295 SD MET A 22 -6.050 -5.630 0.065 1.00 0.00 S ATOM 296 CE MET A 22 -7.325 -4.826 1.070 1.00 0.00 C ATOM 0 H MET A 22 -4.162 -6.938 -1.667 1.00 0.00 H new ATOM 0 HA MET A 22 -6.104 -6.157 -3.637 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.049 -4.753 -1.887 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.979 -3.866 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.221 -3.569 -1.132 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.075 -4.861 -1.952 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.399 -5.328 2.035 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.060 -3.780 1.225 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.284 -4.885 0.556 1.00 0.00 H new ATOM 304 N ARG A 23 -4.661 -5.007 -5.524 1.00 0.00 N ATOM 305 CA ARG A 23 -3.949 -4.736 -6.790 1.00 0.00 C ATOM 306 C ARG A 23 -2.925 -3.610 -6.635 1.00 0.00 C ATOM 307 O ARG A 23 -1.724 -3.850 -6.766 1.00 0.00 O ATOM 308 CB ARG A 23 -4.973 -4.447 -7.908 1.00 0.00 C ATOM 309 CG ARG A 23 -4.321 -3.952 -9.215 1.00 0.00 C ATOM 310 CD ARG A 23 -5.304 -3.904 -10.388 1.00 0.00 C ATOM 311 NE ARG A 23 -5.581 -5.250 -10.923 1.00 0.00 N ATOM 312 CZ ARG A 23 -6.233 -5.525 -12.037 1.00 0.00 C ATOM 313 NH1 ARG A 23 -6.825 -4.605 -12.744 1.00 0.00 N ATOM 314 NH2 ARG A 23 -6.283 -6.750 -12.475 1.00 0.00 N ATOM 0 H ARG A 23 -5.544 -4.503 -5.444 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.379 -5.622 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.542 -5.354 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.683 -3.698 -7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.906 -2.957 -9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.489 -4.607 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.236 -3.443 -10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.896 -3.275 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.236 -6.043 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.795 -3.631 -12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.319 -4.858 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.819 -7.496 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.787 -6.964 -13.336 1.00 0.00 H new ATOM 325 N PHE A 24 -3.392 -2.384 -6.391 1.00 0.00 N ATOM 326 CA PHE A 24 -2.525 -1.213 -6.212 1.00 0.00 C ATOM 327 C PHE A 24 -1.939 -1.148 -4.796 1.00 0.00 C ATOM 328 O PHE A 24 -2.499 -1.705 -3.851 1.00 0.00 O ATOM 329 CB PHE A 24 -3.316 0.071 -6.513 1.00 0.00 C ATOM 330 CG PHE A 24 -3.431 0.430 -7.982 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.284 0.829 -8.692 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.681 0.434 -8.633 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.379 1.220 -10.041 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.775 0.830 -9.982 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.627 1.229 -10.686 1.00 0.00 C ATOM 0 H PHE A 24 -4.387 -2.172 -6.311 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.692 -1.305 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.320 -0.035 -6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.843 0.901 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.323 0.835 -8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.569 0.133 -8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.491 1.514 -10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.735 0.827 -10.477 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.703 1.541 -11.717 1.00 0.00 H new ATOM 344 N GLY A 25 -0.839 -0.405 -4.648 1.00 0.00 N ATOM 345 CA GLY A 25 -0.259 -0.048 -3.355 1.00 0.00 C ATOM 346 C GLY A 25 0.625 1.196 -3.428 1.00 0.00 C ATOM 347 O GLY A 25 1.514 1.273 -4.277 1.00 0.00 O ATOM 0 H GLY A 25 -0.318 -0.029 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.061 0.123 -2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.330 -0.886 -2.982 1.00 0.00 H new ATOM 351 N LYS A 26 0.395 2.177 -2.543 1.00 0.00 N ATOM 352 CA LYS A 26 1.210 3.402 -2.421 1.00 0.00 C ATOM 353 C LYS A 26 1.057 4.046 -1.036 1.00 0.00 C ATOM 354 O LYS A 26 0.006 3.939 -0.406 1.00 0.00 O ATOM 355 CB LYS A 26 0.810 4.405 -3.530 1.00 0.00 C ATOM 356 CG LYS A 26 2.003 5.264 -3.981 1.00 0.00 C ATOM 357 CD LYS A 26 1.591 6.316 -5.022 1.00 0.00 C ATOM 358 CE LYS A 26 2.831 7.045 -5.548 1.00 0.00 C ATOM 359 NZ LYS A 26 2.475 8.188 -6.430 1.00 0.00 N ATOM 0 H LYS A 26 -0.377 2.144 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 26 2.258 3.128 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.410 3.860 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.013 5.053 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.440 5.762 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.775 4.620 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.064 5.837 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.901 7.031 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.422 7.407 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.457 6.343 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.344 8.653 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.933 7.841 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.899 8.871 -5.898 1.00 0.00 H new ATOM 369 N CYS A 27 2.095 4.733 -0.563 1.00 0.00 N ATOM 370 CA CYS A 27 2.035 5.554 0.650 1.00 0.00 C ATOM 371 C CYS A 27 1.240 6.851 0.377 1.00 0.00 C ATOM 372 O CYS A 27 1.527 7.560 -0.593 1.00 0.00 O ATOM 373 CB CYS A 27 3.477 5.834 1.093 1.00 0.00 C ATOM 374 SG CYS A 27 3.728 6.502 2.761 1.00 0.00 S ATOM 0 H CYS A 27 3.010 4.737 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 27 1.511 5.036 1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.039 4.903 1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.918 6.532 0.381 1.00 0.00 H new ATOM 378 N THR A 28 0.246 7.173 1.211 1.00 0.00 N ATOM 379 CA THR A 28 -0.579 8.394 1.129 1.00 0.00 C ATOM 380 C THR A 28 -1.064 8.800 2.523 1.00 0.00 C ATOM 381 O THR A 28 -1.270 7.939 3.375 1.00 0.00 O ATOM 382 CB THR A 28 -1.768 8.187 0.173 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.248 9.449 -0.239 1.00 0.00 O ATOM 384 CG2 THR A 28 -2.953 7.431 0.780 1.00 0.00 C ATOM 0 H THR A 28 -0.020 6.572 1.991 1.00 0.00 H new ATOM 0 HA THR A 28 0.035 9.201 0.729 1.00 0.00 H new ATOM 0 HB THR A 28 -1.382 7.582 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.005 9.328 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.742 7.333 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.628 6.440 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.333 7.981 1.641 1.00 0.00 H new ATOM 392 N ASN A 29 -1.259 10.095 2.802 1.00 0.00 N ATOM 393 CA ASN A 29 -1.637 10.592 4.143 1.00 0.00 C ATOM 394 C ASN A 29 -0.765 10.010 5.299 1.00 0.00 C ATOM 395 O ASN A 29 -1.246 9.751 6.405 1.00 0.00 O ATOM 396 CB ASN A 29 -3.158 10.357 4.303 1.00 0.00 C ATOM 397 CG ASN A 29 -3.783 11.024 5.522 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.356 12.072 5.989 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.835 10.445 6.065 1.00 0.00 N ATOM 0 H ASN A 29 -1.160 10.834 2.106 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.428 11.659 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.664 10.720 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.342 9.284 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.291 10.870 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.193 9.572 5.678 1.00 0.00 H new ATOM 405 N GLY A 30 0.515 9.723 5.021 1.00 0.00 N ATOM 406 CA GLY A 30 1.478 9.110 5.950 1.00 0.00 C ATOM 407 C GLY A 30 1.237 7.626 6.280 1.00 0.00 C ATOM 408 O GLY A 30 1.766 7.127 7.276 1.00 0.00 O ATOM 0 H GLY A 30 0.925 9.919 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.477 9.211 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.467 9.676 6.881 1.00 0.00 H new ATOM 412 N LYS A 31 0.427 6.919 5.481 1.00 0.00 N ATOM 413 CA LYS A 31 -0.009 5.529 5.716 1.00 0.00 C ATOM 414 C LYS A 31 -0.145 4.740 4.408 1.00 0.00 C ATOM 415 O LYS A 31 -0.303 5.302 3.326 1.00 0.00 O ATOM 416 CB LYS A 31 -1.341 5.562 6.499 1.00 0.00 C ATOM 417 CG LYS A 31 -1.218 4.975 7.915 1.00 0.00 C ATOM 418 CD LYS A 31 -2.146 5.635 8.949 1.00 0.00 C ATOM 419 CE LYS A 31 -3.638 5.623 8.573 1.00 0.00 C ATOM 420 NZ LYS A 31 -4.133 6.968 8.168 1.00 0.00 N ATOM 0 H LYS A 31 0.041 7.310 4.621 1.00 0.00 H new ATOM 0 HA LYS A 31 0.750 5.009 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.691 6.592 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.096 5.005 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.436 3.908 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.186 5.077 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.022 5.127 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.830 6.668 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.798 4.919 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.221 5.265 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.142 6.908 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.006 7.636 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.597 7.301 7.341 1.00 0.00 H new ATOM 430 N CYS A 32 -0.036 3.419 4.484 1.00 0.00 N ATOM 431 CA CYS A 32 -0.131 2.552 3.314 1.00 0.00 C ATOM 432 C CYS A 32 -1.583 2.455 2.817 1.00 0.00 C ATOM 433 O CYS A 32 -2.498 2.153 3.586 1.00 0.00 O ATOM 434 CB CYS A 32 0.453 1.185 3.681 1.00 0.00 C ATOM 435 SG CYS A 32 0.514 -0.022 2.332 1.00 0.00 S ATOM 0 H CYS A 32 0.121 2.918 5.358 1.00 0.00 H new ATOM 0 HA CYS A 32 0.443 2.969 2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.464 1.331 4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.136 0.764 4.496 1.00 0.00 H new ATOM 439 N HIS A 33 -1.790 2.679 1.518 1.00 0.00 N ATOM 440 CA HIS A 33 -3.085 2.637 0.834 1.00 0.00 C ATOM 441 C HIS A 33 -3.034 1.604 -0.298 1.00 0.00 C ATOM 442 O HIS A 33 -2.068 1.557 -1.060 1.00 0.00 O ATOM 443 CB HIS A 33 -3.437 4.044 0.313 1.00 0.00 C ATOM 444 CG HIS A 33 -4.198 4.087 -0.995 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.516 3.759 -1.209 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.667 4.446 -2.205 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.777 3.916 -2.522 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.676 4.336 -3.170 1.00 0.00 N ATOM 0 H HIS A 33 -1.024 2.905 0.884 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.869 2.332 1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.027 4.556 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.513 4.609 0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.649 4.759 -2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.734 3.731 -2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.592 4.535 -4.167 1.00 0.00 H new ATOM 456 N CYS A 34 -4.113 0.834 -0.429 1.00 0.00 N ATOM 457 CA CYS A 34 -4.306 -0.185 -1.459 1.00 0.00 C ATOM 458 C CYS A 34 -5.741 -0.090 -2.018 1.00 0.00 C ATOM 459 O CYS A 34 -6.619 0.478 -1.363 1.00 0.00 O ATOM 460 CB CYS A 34 -4.091 -1.586 -0.858 1.00 0.00 C ATOM 461 SG CYS A 34 -2.858 -1.832 0.449 1.00 0.00 S ATOM 0 H CYS A 34 -4.909 0.906 0.205 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.586 -0.020 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.051 -1.921 -0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.831 -2.255 -1.679 1.00 0.00 H new ATOM 465 N THR A 35 -6.013 -0.738 -3.152 1.00 0.00 N ATOM 466 CA THR A 35 -7.362 -0.830 -3.765 1.00 0.00 C ATOM 467 C THR A 35 -7.550 -2.155 -4.509 1.00 0.00 C ATOM 468 O THR A 35 -6.564 -2.801 -4.896 1.00 0.00 O ATOM 469 CB THR A 35 -7.674 0.354 -4.709 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.502 0.926 -5.252 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.463 1.451 -3.994 1.00 0.00 C ATOM 0 H THR A 35 -5.296 -1.226 -3.689 1.00 0.00 H new ATOM 0 HA THR A 35 -8.069 -0.784 -2.937 1.00 0.00 H new ATOM 0 HB THR A 35 -8.275 -0.062 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.744 1.669 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.664 2.266 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.406 1.043 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.882 1.827 -3.152 1.00 0.00 H new ATOM 479 N PRO A 36 -8.802 -2.620 -4.694 1.00 0.00 N ATOM 480 CA PRO A 36 -9.103 -3.896 -5.351 1.00 0.00 C ATOM 481 C PRO A 36 -8.836 -3.868 -6.871 1.00 0.00 C ATOM 482 O PRO A 36 -8.571 -2.810 -7.454 1.00 0.00 O ATOM 483 CB PRO A 36 -10.583 -4.168 -5.036 1.00 0.00 C ATOM 484 CG PRO A 36 -11.175 -2.767 -4.907 1.00 0.00 C ATOM 485 CD PRO A 36 -10.040 -1.975 -4.261 1.00 0.00 C ATOM 0 HA PRO A 36 -8.452 -4.688 -4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.066 -4.738 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.700 -4.741 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.454 -2.355 -5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.073 -2.763 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.066 -0.931 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.126 -1.985 -3.174 1.00 0.00 H new ATOM 490 N LYS A 37 -8.901 -5.050 -7.504 1.00 0.00 N ATOM 491 CA LYS A 37 -8.726 -5.273 -8.950 1.00 0.00 C ATOM 492 C LYS A 37 -9.654 -4.386 -9.806 1.00 0.00 C ATOM 493 O LYS A 37 -10.883 -4.389 -9.558 1.00 0.00 O ATOM 494 CB LYS A 37 -8.943 -6.763 -9.265 1.00 0.00 C ATOM 495 CG LYS A 37 -7.904 -7.694 -8.607 1.00 0.00 C ATOM 496 CD LYS A 37 -8.305 -9.174 -8.706 1.00 0.00 C ATOM 497 CE LYS A 37 -8.313 -9.714 -10.145 1.00 0.00 C ATOM 498 NZ LYS A 37 -7.110 -10.535 -10.448 1.00 0.00 N ATOM 0 H LYS A 37 -9.085 -5.917 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.708 -4.986 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.940 -7.054 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.912 -6.905 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.935 -7.549 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.786 -7.421 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.616 -9.769 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.297 -9.303 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.209 -10.316 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.365 -8.879 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.161 -10.876 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.255 -9.956 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.072 -11.348 -9.800 1.00 0.00 H new