USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 677 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 Set 1.1: A 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000729) USER MOD Set 1.2: A 73 MET CE :methyl -135:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0953 (180deg=-0.719) USER MOD Single : A 5 MET CE :methyl 165:sc= -3.42 (180deg=-4.46) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.835 K(o=-0.84,f=-5.5!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 43:sc= 1.09 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 18 THR OG1 : rot -26:sc= -2.28! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.132 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -20:sc= 0.143 USER MOD Single : A 36 THR OG1 : rot -59:sc= 1.1 USER MOD Single : A 43 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.9) USER MOD Single : A 44 LYS NZ :NH3+ -114:sc= -0.348 (180deg=-1.15) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.118 (180deg=-0.899) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0301 K(o=0.03,f=-0.99) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.0014) USER MOD Single : A 70 THR OG1 : rot -81:sc= -0.0283 USER MOD Single : A 74 MET CE :methyl 156:sc= -0.0439 (180deg=-0.957) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 45:sc= 0.196 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.581 0.313 -0.050 1.00 0.00 N ATOM 2 CA MET A 1 2.074 -0.315 -1.270 1.00 0.00 C ATOM 3 C MET A 1 3.542 -0.704 -1.127 1.00 0.00 C ATOM 4 O MET A 1 4.258 -0.161 -0.287 1.00 0.00 O ATOM 5 CB MET A 1 1.898 0.628 -2.462 1.00 0.00 C ATOM 6 CG MET A 1 0.527 1.283 -2.521 1.00 0.00 C ATOM 7 SD MET A 1 0.374 2.451 -3.886 1.00 0.00 S ATOM 8 CE MET A 1 0.312 4.004 -2.997 1.00 0.00 C ATOM 0 H1 MET A 1 0.541 0.292 -0.045 1.00 0.00 H new ATOM 0 H2 MET A 1 1.942 -0.204 0.777 1.00 0.00 H new ATOM 0 H3 MET A 1 1.908 1.300 -0.011 1.00 0.00 H new ATOM 0 HA MET A 1 1.492 -1.220 -1.443 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.661 1.405 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.065 0.071 -3.384 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.236 0.511 -2.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.335 1.801 -1.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.217 4.826 -3.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.546 4.004 -2.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.227 4.128 -2.418 1.00 0.00 H new ATOM 18 N ALA A 2 3.983 -1.647 -1.953 1.00 0.00 N ATOM 19 CA ALA A 2 5.365 -2.107 -1.919 1.00 0.00 C ATOM 20 C ALA A 2 6.252 -1.246 -2.812 1.00 0.00 C ATOM 21 O ALA A 2 6.151 -1.297 -4.038 1.00 0.00 O ATOM 22 CB ALA A 2 5.447 -3.567 -2.340 1.00 0.00 C ATOM 0 H ALA A 2 3.403 -2.107 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 2 5.727 -2.016 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.486 -3.897 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.853 -4.176 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.061 -3.676 -3.354 1.00 0.00 H new ATOM 28 N LEU A 3 7.120 -0.456 -2.190 1.00 0.00 N ATOM 29 CA LEU A 3 8.025 0.418 -2.929 1.00 0.00 C ATOM 30 C LEU A 3 9.417 -0.198 -3.028 1.00 0.00 C ATOM 31 O LEU A 3 9.937 -0.774 -2.072 1.00 0.00 O ATOM 32 CB LEU A 3 8.108 1.788 -2.253 1.00 0.00 C ATOM 33 CG LEU A 3 6.872 2.224 -1.466 1.00 0.00 C ATOM 34 CD1 LEU A 3 7.081 3.605 -0.866 1.00 0.00 C ATOM 35 CD2 LEU A 3 5.639 2.210 -2.359 1.00 0.00 C ATOM 0 H LEU A 3 7.216 -0.402 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 3 7.629 0.541 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.963 1.786 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.309 2.537 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 3 6.715 1.516 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.191 3.898 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.939 3.584 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.264 4.325 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.769 2.523 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.787 2.895 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.478 1.202 -2.741 1.00 0.00 H new ATOM 47 N PRO A 4 10.037 -0.074 -4.211 1.00 0.00 N ATOM 48 CA PRO A 4 11.378 -0.610 -4.462 1.00 0.00 C ATOM 49 C PRO A 4 12.459 0.154 -3.704 1.00 0.00 C ATOM 50 O PRO A 4 13.224 0.916 -4.295 1.00 0.00 O ATOM 51 CB PRO A 4 11.555 -0.430 -5.971 1.00 0.00 C ATOM 52 CG PRO A 4 10.652 0.700 -6.327 1.00 0.00 C ATOM 53 CD PRO A 4 9.477 0.600 -5.394 1.00 0.00 C ATOM 0 HA PRO A 4 11.473 -1.643 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.591 -0.204 -6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.286 -1.337 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.161 1.657 -6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.332 0.631 -7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.077 1.583 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.662 0.027 -5.835 1.00 0.00 H new ATOM 61 N MET A 5 12.516 -0.055 -2.393 1.00 0.00 N ATOM 62 CA MET A 5 13.505 0.614 -1.555 1.00 0.00 C ATOM 63 C MET A 5 14.402 -0.403 -0.856 1.00 0.00 C ATOM 64 O MET A 5 14.115 -1.600 -0.856 1.00 0.00 O ATOM 65 CB MET A 5 12.811 1.498 -0.517 1.00 0.00 C ATOM 66 CG MET A 5 11.456 2.017 -0.969 1.00 0.00 C ATOM 67 SD MET A 5 10.653 3.042 0.278 1.00 0.00 S ATOM 68 CE MET A 5 9.926 1.788 1.330 1.00 0.00 C ATOM 0 H MET A 5 11.890 -0.682 -1.888 1.00 0.00 H new ATOM 0 HA MET A 5 14.126 1.239 -2.197 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.684 0.931 0.405 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.456 2.345 -0.284 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.580 2.596 -1.884 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.810 1.173 -1.211 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.627 2.236 2.278 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.051 1.363 0.838 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.656 1.001 1.516 1.00 0.00 H new ATOM 78 N ILE A 6 15.488 0.082 -0.263 1.00 0.00 N ATOM 79 CA ILE A 6 16.425 -0.785 0.439 1.00 0.00 C ATOM 80 C ILE A 6 16.341 -0.578 1.948 1.00 0.00 C ATOM 81 O ILE A 6 16.252 0.553 2.426 1.00 0.00 O ATOM 82 CB ILE A 6 17.874 -0.538 -0.021 1.00 0.00 C ATOM 83 CG1 ILE A 6 17.981 -0.685 -1.541 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.823 -1.500 0.678 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.351 -0.347 -2.085 1.00 0.00 C ATOM 0 H ILE A 6 15.740 1.070 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 6 16.146 -1.811 0.199 1.00 0.00 H new ATOM 0 HB ILE A 6 18.157 0.480 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.732 -1.709 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.242 -0.038 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.843 -1.313 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.763 -1.352 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.544 -2.526 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.354 -0.473 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.595 0.687 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.093 -1.010 -1.640 1.00 0.00 H new ATOM 97 N VAL A 7 16.372 -1.678 2.693 1.00 0.00 N ATOM 98 CA VAL A 7 16.302 -1.618 4.148 1.00 0.00 C ATOM 99 C VAL A 7 17.684 -1.776 4.772 1.00 0.00 C ATOM 100 O VAL A 7 18.453 -2.657 4.389 1.00 0.00 O ATOM 101 CB VAL A 7 15.369 -2.707 4.711 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.664 -2.954 6.183 1.00 0.00 C ATOM 103 CG2 VAL A 7 13.913 -2.318 4.508 1.00 0.00 C ATOM 0 H VAL A 7 16.445 -2.622 2.313 1.00 0.00 H new ATOM 0 HA VAL A 7 15.900 -0.638 4.405 1.00 0.00 H new ATOM 0 HB VAL A 7 15.552 -3.634 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.995 -3.726 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.698 -3.281 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.511 -2.032 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.268 -3.099 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.712 -1.379 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.714 -2.197 3.443 1.00 0.00 H new ATOM 113 N LYS A 8 17.994 -0.916 5.736 1.00 0.00 N ATOM 114 CA LYS A 8 19.283 -0.960 6.416 1.00 0.00 C ATOM 115 C LYS A 8 19.145 -0.526 7.872 1.00 0.00 C ATOM 116 O LYS A 8 19.273 0.656 8.191 1.00 0.00 O ATOM 117 CB LYS A 8 20.292 -0.061 5.698 1.00 0.00 C ATOM 118 CG LYS A 8 19.698 1.246 5.202 1.00 0.00 C ATOM 119 CD LYS A 8 20.774 2.290 4.955 1.00 0.00 C ATOM 120 CE LYS A 8 21.353 2.813 6.260 1.00 0.00 C ATOM 121 NZ LYS A 8 22.267 3.968 6.037 1.00 0.00 N ATOM 0 H LYS A 8 17.369 -0.179 6.064 1.00 0.00 H new ATOM 0 HA LYS A 8 19.642 -1.989 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.117 0.159 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.711 -0.604 4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.144 1.068 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.985 1.624 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.571 1.857 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.355 3.118 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.542 3.114 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.895 2.013 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.641 4.296 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.055 3.674 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.744 4.742 5.579 1.00 0.00 H new ATOM 135 N TRP A 9 18.887 -1.489 8.749 1.00 0.00 N ATOM 136 CA TRP A 9 18.733 -1.205 10.172 1.00 0.00 C ATOM 137 C TRP A 9 20.042 -1.439 10.917 1.00 0.00 C ATOM 138 O TRP A 9 20.042 -1.807 12.092 1.00 0.00 O ATOM 139 CB TRP A 9 17.628 -2.077 10.770 1.00 0.00 C ATOM 140 CG TRP A 9 17.167 -1.609 12.117 1.00 0.00 C ATOM 141 CD1 TRP A 9 17.256 -0.342 12.620 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.547 -2.404 13.134 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.728 -0.302 13.888 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.286 -1.553 14.226 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.185 -3.750 13.228 1.00 0.00 C ATOM 146 CZ2 TRP A 9 15.682 -2.007 15.396 1.00 0.00 C ATOM 147 CZ3 TRP A 9 15.586 -4.200 14.389 1.00 0.00 C ATOM 148 CH2 TRP A 9 15.338 -3.330 15.460 1.00 0.00 C ATOM 0 H TRP A 9 18.780 -2.473 8.501 1.00 0.00 H new ATOM 0 HA TRP A 9 18.457 -0.156 10.281 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.778 -2.093 10.088 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.989 -3.102 10.853 1.00 0.00 H new ATOM 0 HD1 TRP A 9 17.679 0.504 12.098 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.674 0.526 14.481 1.00 0.00 H new ATOM 0 HE3 TRP A 9 16.370 -4.427 12.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.492 -1.339 16.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 15.304 -5.239 14.473 1.00 0.00 H new ATOM 0 HH2 TRP A 9 14.866 -3.711 16.353 1.00 0.00 H new ATOM 159 N GLY A 10 21.159 -1.224 10.228 1.00 0.00 N ATOM 160 CA GLY A 10 22.459 -1.417 10.842 1.00 0.00 C ATOM 161 C GLY A 10 22.793 -2.882 11.044 1.00 0.00 C ATOM 162 O GLY A 10 23.577 -3.457 10.289 1.00 0.00 O ATOM 0 H GLY A 10 21.186 -0.919 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.224 -0.956 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.482 -0.906 11.805 1.00 0.00 H new ATOM 166 N GLY A 11 22.199 -3.488 12.067 1.00 0.00 N ATOM 167 CA GLY A 11 22.452 -4.889 12.349 1.00 0.00 C ATOM 168 C GLY A 11 22.122 -5.786 11.172 1.00 0.00 C ATOM 169 O GLY A 11 22.968 -6.550 10.710 1.00 0.00 O ATOM 0 H GLY A 11 21.547 -3.034 12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.500 -5.019 12.618 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.861 -5.195 13.212 1.00 0.00 H new ATOM 173 N GLN A 12 20.887 -5.693 10.688 1.00 0.00 N ATOM 174 CA GLN A 12 20.447 -6.505 9.559 1.00 0.00 C ATOM 175 C GLN A 12 20.153 -5.633 8.344 1.00 0.00 C ATOM 176 O GLN A 12 19.481 -4.608 8.452 1.00 0.00 O ATOM 177 CB GLN A 12 19.203 -7.310 9.938 1.00 0.00 C ATOM 178 CG GLN A 12 18.085 -6.463 10.523 1.00 0.00 C ATOM 179 CD GLN A 12 18.277 -6.184 12.001 1.00 0.00 C ATOM 180 OE1 GLN A 12 18.708 -5.098 12.389 1.00 0.00 O ATOM 181 NE2 GLN A 12 17.956 -7.166 12.836 1.00 0.00 N ATOM 0 H GLN A 12 20.175 -5.065 11.059 1.00 0.00 H new ATOM 0 HA GLN A 12 21.252 -7.193 9.302 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.831 -7.826 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.483 -8.077 10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.030 -5.518 9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.133 -6.972 10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.602 -8.050 12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.063 -7.036 13.842 1.00 0.00 H new ATOM 190 N GLU A 13 20.660 -6.047 7.187 1.00 0.00 N ATOM 191 CA GLU A 13 20.452 -5.302 5.951 1.00 0.00 C ATOM 192 C GLU A 13 19.634 -6.118 4.955 1.00 0.00 C ATOM 193 O GLU A 13 19.993 -7.246 4.617 1.00 0.00 O ATOM 194 CB GLU A 13 21.796 -4.916 5.329 1.00 0.00 C ATOM 195 CG GLU A 13 21.669 -4.248 3.971 1.00 0.00 C ATOM 196 CD GLU A 13 23.013 -3.884 3.371 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.500 -2.767 3.642 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.578 -4.717 2.631 1.00 0.00 O ATOM 0 H GLU A 13 21.218 -6.894 7.080 1.00 0.00 H new ATOM 0 HA GLU A 13 19.898 -4.395 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.321 -4.244 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.410 -5.811 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.140 -4.915 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.063 -3.347 4.069 1.00 0.00 H new ATOM 205 N TYR A 14 18.533 -5.540 4.489 1.00 0.00 N ATOM 206 CA TYR A 14 17.661 -6.214 3.534 1.00 0.00 C ATOM 207 C TYR A 14 17.389 -5.326 2.324 1.00 0.00 C ATOM 208 O TYR A 14 17.679 -4.129 2.340 1.00 0.00 O ATOM 209 CB TYR A 14 16.341 -6.602 4.202 1.00 0.00 C ATOM 210 CG TYR A 14 16.508 -7.554 5.365 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.466 -8.559 5.334 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.709 -7.446 6.497 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.622 -9.431 6.394 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.858 -8.312 7.562 1.00 0.00 C ATOM 215 CZ TYR A 14 16.816 -9.303 7.506 1.00 0.00 C ATOM 216 OH TYR A 14 16.969 -10.169 8.565 1.00 0.00 O ATOM 0 H TYR A 14 18.223 -4.606 4.757 1.00 0.00 H new ATOM 0 HA TYR A 14 18.167 -7.117 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.841 -5.699 4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.688 -7.060 3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.100 -8.661 4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.958 -6.671 6.544 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.371 -10.208 6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.228 -8.214 8.434 1.00 0.00 H new ATOM 0 HH TYR A 14 16.325 -9.943 9.268 1.00 0.00 H new ATOM 226 N SER A 15 16.830 -5.921 1.275 1.00 0.00 N ATOM 227 CA SER A 15 16.521 -5.186 0.054 1.00 0.00 C ATOM 228 C SER A 15 15.047 -5.335 -0.312 1.00 0.00 C ATOM 229 O SER A 15 14.609 -6.398 -0.753 1.00 0.00 O ATOM 230 CB SER A 15 17.397 -5.680 -1.099 1.00 0.00 C ATOM 231 OG SER A 15 17.031 -6.991 -1.492 1.00 0.00 O ATOM 0 H SER A 15 16.582 -6.910 1.246 1.00 0.00 H new ATOM 0 HA SER A 15 16.728 -4.131 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.302 -5.003 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.444 -5.667 -0.796 1.00 0.00 H new ATOM 0 HG SER A 15 16.054 -7.061 -1.529 1.00 0.00 H new ATOM 237 N VAL A 16 14.286 -4.261 -0.125 1.00 0.00 N ATOM 238 CA VAL A 16 12.861 -4.270 -0.436 1.00 0.00 C ATOM 239 C VAL A 16 12.601 -3.732 -1.838 1.00 0.00 C ATOM 240 O VAL A 16 11.658 -2.971 -2.059 1.00 0.00 O ATOM 241 CB VAL A 16 12.060 -3.435 0.580 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.574 -3.739 0.468 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.560 -3.693 1.994 1.00 0.00 C ATOM 0 H VAL A 16 14.632 -3.374 0.240 1.00 0.00 H new ATOM 0 HA VAL A 16 12.532 -5.308 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 16 12.209 -2.379 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.024 -3.140 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.228 -3.499 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.403 -4.797 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.983 -3.095 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.443 -4.750 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.613 -3.420 2.063 1.00 0.00 H new ATOM 253 N THR A 17 13.444 -4.131 -2.786 1.00 0.00 N ATOM 254 CA THR A 17 13.306 -3.689 -4.167 1.00 0.00 C ATOM 255 C THR A 17 12.103 -4.343 -4.837 1.00 0.00 C ATOM 256 O THR A 17 11.545 -5.314 -4.324 1.00 0.00 O ATOM 257 CB THR A 17 14.570 -4.006 -4.988 1.00 0.00 C ATOM 258 OG1 THR A 17 14.388 -3.596 -6.347 1.00 0.00 O ATOM 259 CG2 THR A 17 14.888 -5.493 -4.940 1.00 0.00 C ATOM 0 H THR A 17 14.230 -4.760 -2.621 1.00 0.00 H new ATOM 0 HA THR A 17 13.161 -2.609 -4.139 1.00 0.00 H new ATOM 0 HB THR A 17 15.405 -3.458 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.197 -3.800 -6.861 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.785 -5.692 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.056 -5.796 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.052 -6.057 -5.352 1.00 0.00 H new ATOM 267 N THR A 18 11.706 -3.805 -5.986 1.00 0.00 N ATOM 268 CA THR A 18 10.568 -4.337 -6.725 1.00 0.00 C ATOM 269 C THR A 18 10.988 -5.495 -7.624 1.00 0.00 C ATOM 270 O THR A 18 10.148 -6.153 -8.238 1.00 0.00 O ATOM 271 CB THR A 18 9.901 -3.249 -7.588 1.00 0.00 C ATOM 272 OG1 THR A 18 8.707 -3.763 -8.189 1.00 0.00 O ATOM 273 CG2 THR A 18 10.850 -2.760 -8.672 1.00 0.00 C ATOM 0 H THR A 18 12.156 -3.001 -6.425 1.00 0.00 H new ATOM 0 HA THR A 18 9.851 -4.696 -5.986 1.00 0.00 H new ATOM 0 HB THR A 18 9.649 -2.408 -6.942 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.782 -4.735 -8.287 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.357 -1.992 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.745 -2.342 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.129 -3.595 -9.315 1.00 0.00 H new ATOM 281 N LEU A 19 12.291 -5.739 -7.695 1.00 0.00 N ATOM 282 CA LEU A 19 12.823 -6.819 -8.518 1.00 0.00 C ATOM 283 C LEU A 19 12.599 -6.536 -10.000 1.00 0.00 C ATOM 284 O LEU A 19 12.159 -5.449 -10.375 1.00 0.00 O ATOM 285 CB LEU A 19 12.168 -8.148 -8.136 1.00 0.00 C ATOM 286 CG LEU A 19 11.882 -8.351 -6.648 1.00 0.00 C ATOM 287 CD1 LEU A 19 11.030 -9.593 -6.434 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.181 -8.451 -5.863 1.00 0.00 C ATOM 0 H LEU A 19 12.999 -5.204 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 19 13.896 -6.885 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.229 -8.237 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.812 -8.959 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 19 11.327 -7.487 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.836 -9.722 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.084 -9.481 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.558 -10.467 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.957 -8.595 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.763 -9.296 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.755 -7.533 -5.990 1.00 0.00 H new ATOM 300 N SER A 20 12.901 -7.522 -10.839 1.00 0.00 N ATOM 301 CA SER A 20 12.734 -7.379 -12.280 1.00 0.00 C ATOM 302 C SER A 20 11.258 -7.417 -12.662 1.00 0.00 C ATOM 303 O SER A 20 10.423 -7.912 -11.905 1.00 0.00 O ATOM 304 CB SER A 20 13.492 -8.486 -13.015 1.00 0.00 C ATOM 305 OG SER A 20 14.807 -8.629 -12.507 1.00 0.00 O ATOM 0 H SER A 20 13.263 -8.429 -10.545 1.00 0.00 H new ATOM 0 HA SER A 20 13.143 -6.412 -12.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.955 -9.429 -12.912 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.533 -8.257 -14.080 1.00 0.00 H new ATOM 0 HG SER A 20 15.269 -9.344 -12.992 1.00 0.00 H new ATOM 311 N GLU A 21 10.944 -6.891 -13.842 1.00 0.00 N ATOM 312 CA GLU A 21 9.568 -6.864 -14.324 1.00 0.00 C ATOM 313 C GLU A 21 8.973 -8.268 -14.349 1.00 0.00 C ATOM 314 O GLU A 21 7.806 -8.466 -14.008 1.00 0.00 O ATOM 315 CB GLU A 21 9.507 -6.247 -15.723 1.00 0.00 C ATOM 316 CG GLU A 21 10.327 -7.002 -16.757 1.00 0.00 C ATOM 317 CD GLU A 21 10.327 -6.320 -18.112 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.127 -5.088 -18.157 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.527 -7.019 -19.127 1.00 0.00 O ATOM 0 H GLU A 21 11.623 -6.478 -14.481 1.00 0.00 H new ATOM 0 HA GLU A 21 8.981 -6.252 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.468 -6.212 -16.051 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.860 -5.217 -15.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.353 -7.098 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.931 -8.012 -16.863 1.00 0.00 H new ATOM 326 N ASP A 22 9.782 -9.241 -14.754 1.00 0.00 N ATOM 327 CA ASP A 22 9.336 -10.627 -14.823 1.00 0.00 C ATOM 328 C ASP A 22 8.937 -11.139 -13.443 1.00 0.00 C ATOM 329 O ASP A 22 8.179 -12.102 -13.322 1.00 0.00 O ATOM 330 CB ASP A 22 10.438 -11.511 -15.410 1.00 0.00 C ATOM 331 CG ASP A 22 9.962 -12.923 -15.688 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.043 -13.087 -16.518 1.00 0.00 O ATOM 333 OD2 ASP A 22 10.508 -13.864 -15.075 1.00 0.00 O ATOM 0 H ASP A 22 10.750 -9.095 -15.039 1.00 0.00 H new ATOM 0 HA ASP A 22 8.462 -10.670 -15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.803 -11.065 -16.335 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.280 -11.544 -14.718 1.00 0.00 H new ATOM 338 N ASP A 23 9.453 -10.490 -12.405 1.00 0.00 N ATOM 339 CA ASP A 23 9.151 -10.880 -11.033 1.00 0.00 C ATOM 340 C ASP A 23 8.066 -9.985 -10.441 1.00 0.00 C ATOM 341 O ASP A 23 7.496 -9.140 -11.132 1.00 0.00 O ATOM 342 CB ASP A 23 10.413 -10.811 -10.171 1.00 0.00 C ATOM 343 CG ASP A 23 11.477 -11.790 -10.624 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.293 -13.007 -10.412 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.496 -11.340 -11.190 1.00 0.00 O ATOM 0 H ASP A 23 10.082 -9.692 -12.488 1.00 0.00 H new ATOM 0 HA ASP A 23 8.784 -11.906 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.817 -9.799 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.152 -11.017 -9.133 1.00 0.00 H new ATOM 350 N THR A 24 7.784 -10.178 -9.156 1.00 0.00 N ATOM 351 CA THR A 24 6.766 -9.391 -8.471 1.00 0.00 C ATOM 352 C THR A 24 7.082 -9.257 -6.986 1.00 0.00 C ATOM 353 O THR A 24 8.084 -9.785 -6.504 1.00 0.00 O ATOM 354 CB THR A 24 5.368 -10.018 -8.632 1.00 0.00 C ATOM 355 OG1 THR A 24 5.489 -11.406 -8.963 1.00 0.00 O ATOM 356 CG2 THR A 24 4.575 -9.301 -9.715 1.00 0.00 C ATOM 0 H THR A 24 8.246 -10.872 -8.569 1.00 0.00 H new ATOM 0 HA THR A 24 6.768 -8.403 -8.931 1.00 0.00 H new ATOM 0 HB THR A 24 4.837 -9.915 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.815 -11.642 -9.634 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.592 -9.761 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.460 -8.251 -9.447 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.105 -9.377 -10.664 1.00 0.00 H new ATOM 364 N VAL A 25 6.220 -8.547 -6.264 1.00 0.00 N ATOM 365 CA VAL A 25 6.406 -8.345 -4.832 1.00 0.00 C ATOM 366 C VAL A 25 6.120 -9.624 -4.055 1.00 0.00 C ATOM 367 O VAL A 25 6.611 -9.810 -2.940 1.00 0.00 O ATOM 368 CB VAL A 25 5.498 -7.220 -4.301 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.583 -7.136 -2.785 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.869 -5.890 -4.939 1.00 0.00 C ATOM 0 H VAL A 25 5.386 -8.102 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 25 7.448 -8.060 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 25 4.467 -7.451 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.935 -6.336 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.264 -8.083 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.611 -6.929 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.217 -5.107 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.905 -5.649 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.750 -5.960 -6.020 1.00 0.00 H new ATOM 380 N LEU A 26 5.322 -10.505 -4.649 1.00 0.00 N ATOM 381 CA LEU A 26 4.970 -11.770 -4.013 1.00 0.00 C ATOM 382 C LEU A 26 6.213 -12.617 -3.759 1.00 0.00 C ATOM 383 O LEU A 26 6.310 -13.305 -2.743 1.00 0.00 O ATOM 384 CB LEU A 26 3.981 -12.544 -4.885 1.00 0.00 C ATOM 385 CG LEU A 26 4.421 -12.810 -6.325 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.143 -14.145 -6.425 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.224 -12.778 -7.264 1.00 0.00 C ATOM 0 H LEU A 26 4.907 -10.367 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 26 4.503 -11.548 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.777 -13.502 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.041 -11.993 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 26 5.113 -12.022 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.449 -14.317 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.024 -14.131 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.475 -14.945 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.557 -12.969 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.507 -13.544 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.749 -11.798 -7.215 1.00 0.00 H new ATOM 399 N ASP A 27 7.161 -12.559 -4.688 1.00 0.00 N ATOM 400 CA ASP A 27 8.400 -13.318 -4.563 1.00 0.00 C ATOM 401 C ASP A 27 9.162 -12.912 -3.306 1.00 0.00 C ATOM 402 O ASP A 27 9.251 -13.679 -2.346 1.00 0.00 O ATOM 403 CB ASP A 27 9.279 -13.107 -5.798 1.00 0.00 C ATOM 404 CG ASP A 27 8.878 -14.003 -6.953 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.172 -15.004 -6.711 1.00 0.00 O ATOM 406 OD2 ASP A 27 9.269 -13.702 -8.100 1.00 0.00 O ATOM 0 H ASP A 27 7.095 -11.995 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 27 8.144 -14.375 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.216 -12.065 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.320 -13.299 -5.537 1.00 0.00 H new ATOM 411 N LEU A 28 9.712 -11.703 -3.318 1.00 0.00 N ATOM 412 CA LEU A 28 10.468 -11.195 -2.178 1.00 0.00 C ATOM 413 C LEU A 28 9.671 -11.343 -0.886 1.00 0.00 C ATOM 414 O LEU A 28 10.229 -11.643 0.169 1.00 0.00 O ATOM 415 CB LEU A 28 10.835 -9.726 -2.399 1.00 0.00 C ATOM 416 CG LEU A 28 9.707 -8.714 -2.192 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.669 -8.247 -0.745 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.874 -7.530 -3.132 1.00 0.00 C ATOM 0 H LEU A 28 9.649 -11.056 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 28 11.382 -11.782 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.653 -9.471 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.213 -9.616 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 28 8.760 -9.202 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.860 -7.527 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.501 -9.103 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.618 -7.776 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.063 -6.820 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.828 -7.041 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.851 -7.879 -4.164 1.00 0.00 H new ATOM 430 N LYS A 29 8.362 -11.133 -0.977 1.00 0.00 N ATOM 431 CA LYS A 29 7.486 -11.247 0.183 1.00 0.00 C ATOM 432 C LYS A 29 7.704 -12.575 0.901 1.00 0.00 C ATOM 433 O LYS A 29 7.982 -12.604 2.099 1.00 0.00 O ATOM 434 CB LYS A 29 6.022 -11.119 -0.243 1.00 0.00 C ATOM 435 CG LYS A 29 5.452 -9.725 -0.050 1.00 0.00 C ATOM 436 CD LYS A 29 3.986 -9.772 0.347 1.00 0.00 C ATOM 437 CE LYS A 29 3.077 -9.723 -0.872 1.00 0.00 C ATOM 438 NZ LYS A 29 1.714 -10.241 -0.568 1.00 0.00 N ATOM 0 H LYS A 29 7.884 -10.883 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 29 7.729 -10.438 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.932 -11.397 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.423 -11.829 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.021 -9.201 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.562 -9.155 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.790 -10.683 0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.759 -8.934 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.004 -8.696 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.518 -10.310 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.125 -10.191 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.781 -11.229 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.283 -9.665 0.183 1.00 0.00 H new ATOM 452 N GLN A 30 7.576 -13.671 0.160 1.00 0.00 N ATOM 453 CA GLN A 30 7.760 -15.002 0.727 1.00 0.00 C ATOM 454 C GLN A 30 9.164 -15.160 1.301 1.00 0.00 C ATOM 455 O GLN A 30 9.365 -15.861 2.292 1.00 0.00 O ATOM 456 CB GLN A 30 7.508 -16.072 -0.337 1.00 0.00 C ATOM 457 CG GLN A 30 6.063 -16.133 -0.807 1.00 0.00 C ATOM 458 CD GLN A 30 5.859 -17.121 -1.938 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.814 -17.534 -2.598 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.610 -17.508 -2.170 1.00 0.00 N ATOM 0 H GLN A 30 7.346 -13.664 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 30 7.040 -15.127 1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.153 -15.879 -1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.793 -17.045 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.424 -16.409 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.749 -15.142 -1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.848 -17.141 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.413 -18.172 -2.919 1.00 0.00 H new ATOM 469 N PHE A 31 10.133 -14.504 0.671 1.00 0.00 N ATOM 470 CA PHE A 31 11.519 -14.573 1.118 1.00 0.00 C ATOM 471 C PHE A 31 11.700 -13.842 2.445 1.00 0.00 C ATOM 472 O PHE A 31 12.473 -14.270 3.303 1.00 0.00 O ATOM 473 CB PHE A 31 12.449 -13.972 0.061 1.00 0.00 C ATOM 474 CG PHE A 31 13.709 -14.761 -0.147 1.00 0.00 C ATOM 475 CD1 PHE A 31 13.667 -16.019 -0.726 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.937 -14.245 0.236 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.826 -16.748 -0.918 1.00 0.00 C ATOM 478 CE2 PHE A 31 16.099 -14.969 0.046 1.00 0.00 C ATOM 479 CZ PHE A 31 16.043 -16.222 -0.532 1.00 0.00 C ATOM 0 H PHE A 31 9.984 -13.919 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 31 11.775 -15.622 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.913 -13.902 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.711 -12.955 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.718 -16.435 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.987 -13.266 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.780 -17.728 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.049 -14.555 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 31 16.950 -16.790 -0.682 1.00 0.00 H new ATOM 489 N LEU A 32 10.981 -12.736 2.607 1.00 0.00 N ATOM 490 CA LEU A 32 11.061 -11.944 3.829 1.00 0.00 C ATOM 491 C LEU A 32 10.399 -12.672 4.994 1.00 0.00 C ATOM 492 O LEU A 32 10.815 -12.533 6.145 1.00 0.00 O ATOM 493 CB LEU A 32 10.397 -10.581 3.621 1.00 0.00 C ATOM 494 CG LEU A 32 11.083 -9.646 2.625 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.407 -8.283 2.620 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.562 -9.508 2.954 1.00 0.00 C ATOM 0 H LEU A 32 10.336 -12.368 1.907 1.00 0.00 H new ATOM 0 HA LEU A 32 12.114 -11.796 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.372 -10.745 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.342 -10.075 4.585 1.00 0.00 H new ATOM 0 HG LEU A 32 10.992 -10.078 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.909 -7.631 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.361 -8.397 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.466 -7.844 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.034 -8.839 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.675 -9.099 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.038 -10.487 2.905 1.00 0.00 H new ATOM 508 N LYS A 33 9.366 -13.451 4.689 1.00 0.00 N ATOM 509 CA LYS A 33 8.648 -14.205 5.709 1.00 0.00 C ATOM 510 C LYS A 33 9.480 -15.385 6.200 1.00 0.00 C ATOM 511 O LYS A 33 9.403 -15.770 7.367 1.00 0.00 O ATOM 512 CB LYS A 33 7.311 -14.704 5.157 1.00 0.00 C ATOM 513 CG LYS A 33 6.433 -13.599 4.596 1.00 0.00 C ATOM 514 CD LYS A 33 5.575 -14.097 3.446 1.00 0.00 C ATOM 515 CE LYS A 33 4.143 -13.596 3.560 1.00 0.00 C ATOM 516 NZ LYS A 33 3.410 -13.713 2.270 1.00 0.00 N ATOM 0 H LYS A 33 9.008 -13.576 3.742 1.00 0.00 H new ATOM 0 HA LYS A 33 8.460 -13.540 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.502 -15.437 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.770 -15.219 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.792 -13.206 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.059 -12.775 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.004 -13.764 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.580 -15.187 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.619 -14.165 4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.147 -12.555 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.439 -13.361 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.895 -13.150 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.383 -14.710 1.975 1.00 0.00 H new ATOM 530 N THR A 34 10.277 -15.957 5.302 1.00 0.00 N ATOM 531 CA THR A 34 11.123 -17.092 5.644 1.00 0.00 C ATOM 532 C THR A 34 12.479 -16.630 6.165 1.00 0.00 C ATOM 533 O THR A 34 13.122 -17.324 6.954 1.00 0.00 O ATOM 534 CB THR A 34 11.340 -18.017 4.431 1.00 0.00 C ATOM 535 OG1 THR A 34 12.060 -17.321 3.407 1.00 0.00 O ATOM 536 CG2 THR A 34 10.010 -18.507 3.879 1.00 0.00 C ATOM 0 H THR A 34 10.353 -15.652 4.332 1.00 0.00 H new ATOM 0 HA THR A 34 10.606 -17.647 6.427 1.00 0.00 H new ATOM 0 HB THR A 34 11.919 -18.880 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.983 -16.355 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.189 -19.158 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.477 -19.061 4.652 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.409 -17.653 3.566 1.00 0.00 H new ATOM 544 N LEU A 35 12.909 -15.455 5.720 1.00 0.00 N ATOM 545 CA LEU A 35 14.190 -14.899 6.143 1.00 0.00 C ATOM 546 C LEU A 35 14.052 -14.159 7.470 1.00 0.00 C ATOM 547 O LEU A 35 14.851 -14.351 8.387 1.00 0.00 O ATOM 548 CB LEU A 35 14.735 -13.951 5.072 1.00 0.00 C ATOM 549 CG LEU A 35 16.199 -13.536 5.226 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.810 -13.224 3.870 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.317 -12.337 6.156 1.00 0.00 C ATOM 0 H LEU A 35 12.390 -14.869 5.067 1.00 0.00 H new ATOM 0 HA LEU A 35 14.889 -15.724 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.613 -14.426 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.121 -13.050 5.066 1.00 0.00 H new ATOM 0 HG LEU A 35 16.749 -14.368 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.852 -12.931 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.758 -14.109 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.259 -12.409 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.365 -12.055 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.753 -11.500 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.917 -12.596 7.136 1.00 0.00 H new ATOM 563 N THR A 36 13.030 -13.314 7.567 1.00 0.00 N ATOM 564 CA THR A 36 12.785 -12.547 8.782 1.00 0.00 C ATOM 565 C THR A 36 11.550 -13.057 9.514 1.00 0.00 C ATOM 566 O THR A 36 11.541 -13.158 10.740 1.00 0.00 O ATOM 567 CB THR A 36 12.604 -11.049 8.473 1.00 0.00 C ATOM 568 OG1 THR A 36 11.221 -10.762 8.236 1.00 0.00 O ATOM 569 CG2 THR A 36 13.427 -10.643 7.259 1.00 0.00 C ATOM 0 H THR A 36 12.359 -13.144 6.818 1.00 0.00 H new ATOM 0 HA THR A 36 13.660 -12.675 9.419 1.00 0.00 H new ATOM 0 HB THR A 36 12.951 -10.478 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.902 -11.294 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.283 -9.581 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.482 -10.836 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.106 -11.221 6.392 1.00 0.00 H new ATOM 577 N GLY A 37 10.507 -13.377 8.754 1.00 0.00 N ATOM 578 CA GLY A 37 9.280 -13.873 9.350 1.00 0.00 C ATOM 579 C GLY A 37 8.785 -12.991 10.479 1.00 0.00 C ATOM 580 O GLY A 37 8.117 -13.464 11.399 1.00 0.00 O ATOM 0 H GLY A 37 10.490 -13.302 7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.509 -13.942 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.445 -14.882 9.727 1.00 0.00 H new ATOM 584 N VAL A 38 9.115 -11.705 10.411 1.00 0.00 N ATOM 585 CA VAL A 38 8.701 -10.755 11.436 1.00 0.00 C ATOM 586 C VAL A 38 7.775 -9.691 10.857 1.00 0.00 C ATOM 587 O VAL A 38 6.968 -9.097 11.573 1.00 0.00 O ATOM 588 CB VAL A 38 9.915 -10.064 12.085 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.463 -9.097 13.169 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.876 -11.099 12.651 1.00 0.00 C ATOM 0 H VAL A 38 9.668 -11.298 9.657 1.00 0.00 H new ATOM 0 HA VAL A 38 8.166 -11.324 12.197 1.00 0.00 H new ATOM 0 HB VAL A 38 10.440 -9.494 11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.334 -8.618 13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.816 -8.337 12.732 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.914 -9.642 13.937 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.728 -10.594 13.106 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.364 -11.697 13.405 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.225 -11.748 11.848 1.00 0.00 H new ATOM 600 N LEU A 39 7.896 -9.455 9.555 1.00 0.00 N ATOM 601 CA LEU A 39 7.069 -8.462 8.877 1.00 0.00 C ATOM 602 C LEU A 39 5.592 -8.832 8.966 1.00 0.00 C ATOM 603 O LEU A 39 4.745 -8.020 9.341 1.00 0.00 O ATOM 604 CB LEU A 39 7.488 -8.335 7.412 1.00 0.00 C ATOM 605 CG LEU A 39 8.989 -8.422 7.133 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.290 -8.016 5.698 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.764 -7.549 8.109 1.00 0.00 C ATOM 0 H LEU A 39 8.558 -9.937 8.948 1.00 0.00 H new ATOM 0 HA LEU A 39 7.215 -7.503 9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.987 -9.118 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.123 -7.381 7.032 1.00 0.00 H new ATOM 0 HG LEU A 39 9.305 -9.456 7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.363 -8.084 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.764 -8.682 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.959 -6.991 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.830 -7.623 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.444 -6.512 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.574 -7.885 9.128 1.00 0.00 H new ATOM 619 N PRO A 40 5.274 -10.086 8.614 1.00 0.00 N ATOM 620 CA PRO A 40 3.899 -10.593 8.648 1.00 0.00 C ATOM 621 C PRO A 40 3.375 -10.755 10.071 1.00 0.00 C ATOM 622 O PRO A 40 2.196 -11.036 10.279 1.00 0.00 O ATOM 623 CB PRO A 40 4.006 -11.956 7.959 1.00 0.00 C ATOM 624 CG PRO A 40 5.421 -12.373 8.164 1.00 0.00 C ATOM 625 CD PRO A 40 6.232 -11.107 8.157 1.00 0.00 C ATOM 0 HA PRO A 40 3.201 -9.909 8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.314 -12.676 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.764 -11.884 6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.538 -12.906 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.747 -13.049 7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.092 -11.177 8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.616 -10.881 7.162 1.00 0.00 H new ATOM 633 N GLU A 41 4.260 -10.574 11.046 1.00 0.00 N ATOM 634 CA GLU A 41 3.886 -10.701 12.450 1.00 0.00 C ATOM 635 C GLU A 41 3.783 -9.330 13.112 1.00 0.00 C ATOM 636 O GLU A 41 2.686 -8.842 13.385 1.00 0.00 O ATOM 637 CB GLU A 41 4.905 -11.564 13.197 1.00 0.00 C ATOM 638 CG GLU A 41 4.963 -13.001 12.705 1.00 0.00 C ATOM 639 CD GLU A 41 3.860 -13.862 13.288 1.00 0.00 C ATOM 640 OE1 GLU A 41 2.689 -13.674 12.896 1.00 0.00 O ATOM 641 OE2 GLU A 41 4.168 -14.724 14.138 1.00 0.00 O ATOM 0 H GLU A 41 5.240 -10.339 10.890 1.00 0.00 H new ATOM 0 HA GLU A 41 2.909 -11.183 12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.893 -11.114 13.096 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.661 -11.562 14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.891 -13.012 11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.930 -13.431 12.965 1.00 0.00 H new ATOM 648 N ARG A 42 4.933 -8.715 13.367 1.00 0.00 N ATOM 649 CA ARG A 42 4.973 -7.401 13.998 1.00 0.00 C ATOM 650 C ARG A 42 6.219 -6.630 13.571 1.00 0.00 C ATOM 651 O ARG A 42 7.340 -7.007 13.911 1.00 0.00 O ATOM 652 CB ARG A 42 4.944 -7.542 15.521 1.00 0.00 C ATOM 653 CG ARG A 42 6.017 -8.471 16.066 1.00 0.00 C ATOM 654 CD ARG A 42 5.716 -8.889 17.497 1.00 0.00 C ATOM 655 NE ARG A 42 5.944 -7.801 18.444 1.00 0.00 N ATOM 656 CZ ARG A 42 7.149 -7.432 18.864 1.00 0.00 C ATOM 657 NH1 ARG A 42 8.230 -8.060 18.422 1.00 0.00 N ATOM 658 NH2 ARG A 42 7.275 -6.432 19.727 1.00 0.00 N ATOM 0 H ARG A 42 5.849 -9.105 13.147 1.00 0.00 H new ATOM 0 HA ARG A 42 4.094 -6.844 13.675 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.065 -6.557 15.971 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.965 -7.913 15.825 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.089 -9.356 15.434 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.986 -7.973 16.027 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.680 -9.220 17.568 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.342 -9.740 17.765 1.00 0.00 H new ATOM 0 HE ARG A 42 5.133 -7.297 18.803 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.138 -8.829 17.758 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.154 -7.775 18.746 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.446 -5.946 20.069 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.201 -6.150 20.049 1.00 0.00 H new ATOM 672 N GLN A 43 6.013 -5.551 12.824 1.00 0.00 N ATOM 673 CA GLN A 43 7.120 -4.728 12.349 1.00 0.00 C ATOM 674 C GLN A 43 6.751 -3.249 12.379 1.00 0.00 C ATOM 675 O GLN A 43 5.593 -2.891 12.597 1.00 0.00 O ATOM 676 CB GLN A 43 7.517 -5.139 10.930 1.00 0.00 C ATOM 677 CG GLN A 43 6.635 -4.531 9.852 1.00 0.00 C ATOM 678 CD GLN A 43 5.159 -4.617 10.188 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.635 -5.696 10.464 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.480 -3.476 10.165 1.00 0.00 N ATOM 0 H GLN A 43 5.091 -5.226 12.534 1.00 0.00 H new ATOM 0 HA GLN A 43 7.968 -4.885 13.015 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.551 -4.844 10.751 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.477 -6.225 10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.911 -3.486 9.709 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.819 -5.042 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.955 -2.604 9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.483 -3.471 10.382 1.00 0.00 H new ATOM 689 N LYS A 44 7.742 -2.392 12.157 1.00 0.00 N ATOM 690 CA LYS A 44 7.523 -0.951 12.157 1.00 0.00 C ATOM 691 C LYS A 44 8.503 -0.251 11.220 1.00 0.00 C ATOM 692 O LYS A 44 9.659 -0.018 11.576 1.00 0.00 O ATOM 693 CB LYS A 44 7.668 -0.392 13.574 1.00 0.00 C ATOM 694 CG LYS A 44 6.349 -0.266 14.317 1.00 0.00 C ATOM 695 CD LYS A 44 5.901 1.183 14.415 1.00 0.00 C ATOM 696 CE LYS A 44 5.662 1.787 13.040 1.00 0.00 C ATOM 697 NZ LYS A 44 4.619 1.043 12.280 1.00 0.00 N ATOM 0 H LYS A 44 8.706 -2.671 11.975 1.00 0.00 H new ATOM 0 HA LYS A 44 6.510 -0.763 11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.336 -1.038 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.141 0.589 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.585 -0.850 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.453 -0.684 15.318 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.986 1.243 15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.658 1.764 14.942 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.359 2.828 13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.594 1.784 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.052 0.587 11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.194 0.318 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.881 1.705 11.964 1.00 0.00 H new ATOM 711 N LEU A 45 8.034 0.082 10.023 1.00 0.00 N ATOM 712 CA LEU A 45 8.868 0.757 9.035 1.00 0.00 C ATOM 713 C LEU A 45 8.579 2.255 9.010 1.00 0.00 C ATOM 714 O LEU A 45 7.597 2.718 9.591 1.00 0.00 O ATOM 715 CB LEU A 45 8.636 0.158 7.647 1.00 0.00 C ATOM 716 CG LEU A 45 8.446 -1.359 7.594 1.00 0.00 C ATOM 717 CD1 LEU A 45 8.497 -1.853 6.157 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.500 -2.058 8.439 1.00 0.00 C ATOM 0 H LEU A 45 7.080 -0.104 9.713 1.00 0.00 H new ATOM 0 HA LEU A 45 9.911 0.612 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.755 0.630 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.483 0.420 7.014 1.00 0.00 H new ATOM 0 HG LEU A 45 7.465 -1.598 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.360 -2.934 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.704 -1.377 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.464 -1.602 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.349 -3.136 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.492 -1.812 8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.415 -1.727 9.474 1.00 0.00 H new ATOM 730 N LEU A 46 9.440 3.006 8.332 1.00 0.00 N ATOM 731 CA LEU A 46 9.276 4.452 8.228 1.00 0.00 C ATOM 732 C LEU A 46 7.970 4.803 7.522 1.00 0.00 C ATOM 733 O LEU A 46 7.490 5.932 7.609 1.00 0.00 O ATOM 734 CB LEU A 46 10.457 5.066 7.475 1.00 0.00 C ATOM 735 CG LEU A 46 10.178 5.517 6.041 1.00 0.00 C ATOM 736 CD1 LEU A 46 11.366 6.285 5.482 1.00 0.00 C ATOM 737 CD2 LEU A 46 9.851 4.320 5.160 1.00 0.00 C ATOM 0 H LEU A 46 10.258 2.638 7.846 1.00 0.00 H new ATOM 0 HA LEU A 46 9.243 4.863 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.816 5.925 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.267 4.337 7.454 1.00 0.00 H new ATOM 0 HG LEU A 46 9.314 6.182 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.149 6.598 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.554 7.164 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.248 5.644 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.655 4.660 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.695 3.630 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.969 3.812 5.549 1.00 0.00 H new ATOM 749 N GLY A 47 7.399 3.826 6.825 1.00 0.00 N ATOM 750 CA GLY A 47 6.153 4.051 6.116 1.00 0.00 C ATOM 751 C GLY A 47 5.703 2.833 5.333 1.00 0.00 C ATOM 752 O GLY A 47 4.505 2.593 5.178 1.00 0.00 O ATOM 0 H GLY A 47 7.777 2.883 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.377 4.327 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.273 4.893 5.434 1.00 0.00 H new ATOM 756 N LEU A 48 6.665 2.062 4.837 1.00 0.00 N ATOM 757 CA LEU A 48 6.361 0.862 4.065 1.00 0.00 C ATOM 758 C LEU A 48 5.665 -0.182 4.931 1.00 0.00 C ATOM 759 O LEU A 48 5.869 -0.234 6.144 1.00 0.00 O ATOM 760 CB LEU A 48 7.644 0.276 3.471 1.00 0.00 C ATOM 761 CG LEU A 48 7.506 -1.085 2.788 1.00 0.00 C ATOM 762 CD1 LEU A 48 6.700 -0.959 1.505 1.00 0.00 C ATOM 763 CD2 LEU A 48 8.878 -1.679 2.502 1.00 0.00 C ATOM 0 H LEU A 48 7.661 2.246 4.956 1.00 0.00 H new ATOM 0 HA LEU A 48 5.687 1.142 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.042 0.986 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.382 0.187 4.268 1.00 0.00 H new ATOM 0 HG LEU A 48 6.974 -1.756 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.612 -1.938 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.706 -0.577 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.204 -0.272 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.761 -2.648 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.435 -1.009 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.422 -1.806 3.438 1.00 0.00 H new ATOM 775 N LYS A 49 4.843 -1.014 4.300 1.00 0.00 N ATOM 776 CA LYS A 49 4.118 -2.060 5.012 1.00 0.00 C ATOM 777 C LYS A 49 3.220 -1.462 6.090 1.00 0.00 C ATOM 778 O LYS A 49 3.443 -1.669 7.283 1.00 0.00 O ATOM 779 CB LYS A 49 5.099 -3.050 5.642 1.00 0.00 C ATOM 780 CG LYS A 49 5.557 -4.142 4.690 1.00 0.00 C ATOM 781 CD LYS A 49 4.446 -5.140 4.410 1.00 0.00 C ATOM 782 CE LYS A 49 4.767 -6.007 3.203 1.00 0.00 C ATOM 783 NZ LYS A 49 4.895 -5.199 1.958 1.00 0.00 N ATOM 0 H LYS A 49 4.662 -0.984 3.297 1.00 0.00 H new ATOM 0 HA LYS A 49 3.491 -2.587 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.971 -2.505 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.629 -3.511 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.889 -3.694 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.415 -4.662 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.295 -5.773 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.511 -4.607 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.696 -6.549 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.983 -6.753 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.758 -5.813 1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.175 -4.449 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.842 -4.770 1.918 1.00 0.00 H new ATOM 797 N VAL A 50 2.202 -0.722 5.663 1.00 0.00 N ATOM 798 CA VAL A 50 1.268 -0.096 6.592 1.00 0.00 C ATOM 799 C VAL A 50 0.207 -1.088 7.056 1.00 0.00 C ATOM 800 O VAL A 50 -0.271 -1.913 6.276 1.00 0.00 O ATOM 801 CB VAL A 50 0.573 1.121 5.954 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.561 2.261 5.763 1.00 0.00 C ATOM 803 CG2 VAL A 50 -0.070 0.734 4.631 1.00 0.00 C ATOM 0 H VAL A 50 2.003 -0.541 4.679 1.00 0.00 H new ATOM 0 HA VAL A 50 1.851 0.237 7.451 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.213 1.463 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.052 3.112 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.969 2.554 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.371 1.935 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.557 1.606 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.696 0.366 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.811 -0.047 4.801 1.00 0.00 H new ATOM 813 N LYS A 51 -0.157 -1.003 8.330 1.00 0.00 N ATOM 814 CA LYS A 51 -1.163 -1.892 8.900 1.00 0.00 C ATOM 815 C LYS A 51 -2.559 -1.516 8.413 1.00 0.00 C ATOM 816 O LYS A 51 -2.815 -0.366 8.060 1.00 0.00 O ATOM 817 CB LYS A 51 -1.113 -1.838 10.429 1.00 0.00 C ATOM 818 CG LYS A 51 -1.893 -0.677 11.022 1.00 0.00 C ATOM 819 CD LYS A 51 -1.321 0.660 10.584 1.00 0.00 C ATOM 820 CE LYS A 51 -1.979 1.816 11.322 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.271 3.104 11.080 1.00 0.00 N ATOM 0 H LYS A 51 0.230 -0.327 8.989 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.943 -2.908 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.506 -2.772 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.073 -1.767 10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.937 -0.745 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.875 -0.743 12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.247 0.675 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.464 0.784 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.017 1.907 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.992 1.604 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.750 3.867 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.287 3.026 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.281 3.320 10.063 1.00 0.00 H new ATOM 835 N GLY A 52 -3.459 -2.495 8.398 1.00 0.00 N ATOM 836 CA GLY A 52 -4.818 -2.246 7.954 1.00 0.00 C ATOM 837 C GLY A 52 -4.929 -2.168 6.445 1.00 0.00 C ATOM 838 O GLY A 52 -6.011 -1.932 5.905 1.00 0.00 O ATOM 0 H GLY A 52 -3.271 -3.455 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.469 -3.039 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.174 -1.313 8.390 1.00 0.00 H new ATOM 842 N LYS A 53 -3.808 -2.364 5.759 1.00 0.00 N ATOM 843 CA LYS A 53 -3.783 -2.314 4.302 1.00 0.00 C ATOM 844 C LYS A 53 -2.376 -2.576 3.773 1.00 0.00 C ATOM 845 O LYS A 53 -1.705 -1.684 3.255 1.00 0.00 O ATOM 846 CB LYS A 53 -4.278 -0.952 3.809 1.00 0.00 C ATOM 847 CG LYS A 53 -3.678 0.222 4.563 1.00 0.00 C ATOM 848 CD LYS A 53 -4.121 1.550 3.970 1.00 0.00 C ATOM 849 CE LYS A 53 -4.113 2.656 5.013 1.00 0.00 C ATOM 850 NZ LYS A 53 -2.730 3.101 5.340 1.00 0.00 N ATOM 0 H LYS A 53 -2.904 -2.559 6.189 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.446 -3.093 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.043 -0.851 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.364 -0.915 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.975 0.173 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.590 0.155 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.460 1.820 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.123 1.448 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.690 3.505 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.605 2.304 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.768 3.856 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.186 2.297 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.269 3.461 4.480 1.00 0.00 H new ATOM 864 N PRO A 54 -1.919 -3.830 3.904 1.00 0.00 N ATOM 865 CA PRO A 54 -0.589 -4.240 3.443 1.00 0.00 C ATOM 866 C PRO A 54 -0.482 -4.255 1.922 1.00 0.00 C ATOM 867 O PRO A 54 -1.478 -4.434 1.222 1.00 0.00 O ATOM 868 CB PRO A 54 -0.439 -5.656 4.004 1.00 0.00 C ATOM 869 CG PRO A 54 -1.836 -6.150 4.161 1.00 0.00 C ATOM 870 CD PRO A 54 -2.664 -4.945 4.511 1.00 0.00 C ATOM 0 HA PRO A 54 0.188 -3.551 3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.132 -6.292 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.089 -5.650 4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.192 -6.614 3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.897 -6.906 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.674 -5.020 4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.760 -4.823 5.590 1.00 0.00 H new ATOM 878 N ALA A 55 0.733 -4.066 1.417 1.00 0.00 N ATOM 879 CA ALA A 55 0.970 -4.061 -0.021 1.00 0.00 C ATOM 880 C ALA A 55 0.355 -5.289 -0.684 1.00 0.00 C ATOM 881 O ALA A 55 0.129 -6.308 -0.032 1.00 0.00 O ATOM 882 CB ALA A 55 2.462 -3.994 -0.310 1.00 0.00 C ATOM 0 H ALA A 55 1.568 -3.914 1.983 1.00 0.00 H new ATOM 0 HA ALA A 55 0.490 -3.176 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.624 -3.991 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.876 -3.083 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.957 -4.860 0.129 1.00 0.00 H new ATOM 888 N GLU A 56 0.088 -5.184 -1.982 1.00 0.00 N ATOM 889 CA GLU A 56 -0.503 -6.287 -2.731 1.00 0.00 C ATOM 890 C GLU A 56 0.549 -6.990 -3.584 1.00 0.00 C ATOM 891 O GLU A 56 1.579 -6.408 -3.923 1.00 0.00 O ATOM 892 CB GLU A 56 -1.640 -5.779 -3.619 1.00 0.00 C ATOM 893 CG GLU A 56 -2.592 -6.872 -4.074 1.00 0.00 C ATOM 894 CD GLU A 56 -3.983 -6.347 -4.373 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.089 -5.308 -5.058 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.964 -6.974 -3.922 1.00 0.00 O ATOM 0 H GLU A 56 0.271 -4.348 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.905 -7.005 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.204 -5.021 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.215 -5.291 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.189 -7.351 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.655 -7.638 -3.301 1.00 0.00 H new ATOM 903 N ASN A 57 0.282 -8.246 -3.928 1.00 0.00 N ATOM 904 CA ASN A 57 1.205 -9.029 -4.741 1.00 0.00 C ATOM 905 C ASN A 57 1.238 -8.513 -6.176 1.00 0.00 C ATOM 906 O ASN A 57 2.260 -8.605 -6.857 1.00 0.00 O ATOM 907 CB ASN A 57 0.804 -10.505 -4.727 1.00 0.00 C ATOM 908 CG ASN A 57 -0.667 -10.707 -5.036 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.517 -10.619 -4.149 1.00 0.00 O ATOM 910 ND2 ASN A 57 -0.974 -10.980 -6.299 1.00 0.00 N ATOM 0 H ASN A 57 -0.566 -8.743 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 57 2.203 -8.927 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.404 -11.049 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.029 -10.931 -3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.947 -11.126 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.237 -11.043 -7.001 1.00 0.00 H new ATOM 917 N ASP A 58 0.114 -7.969 -6.629 1.00 0.00 N ATOM 918 CA ASP A 58 0.014 -7.436 -7.983 1.00 0.00 C ATOM 919 C ASP A 58 1.113 -6.412 -8.247 1.00 0.00 C ATOM 920 O ASP A 58 1.522 -6.205 -9.390 1.00 0.00 O ATOM 921 CB ASP A 58 -1.358 -6.797 -8.202 1.00 0.00 C ATOM 922 CG ASP A 58 -2.470 -7.825 -8.278 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.597 -8.485 -9.331 1.00 0.00 O ATOM 924 OD2 ASP A 58 -3.214 -7.969 -7.285 1.00 0.00 O ATOM 0 H ASP A 58 -0.741 -7.885 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 58 0.137 -8.263 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.565 -6.101 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.342 -6.215 -9.123 1.00 0.00 H new ATOM 929 N VAL A 59 1.589 -5.774 -7.182 1.00 0.00 N ATOM 930 CA VAL A 59 2.641 -4.771 -7.298 1.00 0.00 C ATOM 931 C VAL A 59 3.868 -5.342 -8.000 1.00 0.00 C ATOM 932 O VAL A 59 4.260 -6.484 -7.760 1.00 0.00 O ATOM 933 CB VAL A 59 3.057 -4.232 -5.917 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.142 -3.175 -6.061 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.851 -3.673 -5.178 1.00 0.00 C ATOM 0 H VAL A 59 1.263 -5.934 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 59 2.235 -3.952 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 59 3.463 -5.057 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.423 -2.806 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.014 -3.613 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.767 -2.348 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.164 -3.297 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.414 -2.860 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.110 -4.461 -5.042 1.00 0.00 H new ATOM 945 N LYS A 60 4.472 -4.539 -8.870 1.00 0.00 N ATOM 946 CA LYS A 60 5.657 -4.962 -9.607 1.00 0.00 C ATOM 947 C LYS A 60 6.456 -3.756 -10.091 1.00 0.00 C ATOM 948 O LYS A 60 6.031 -2.611 -9.928 1.00 0.00 O ATOM 949 CB LYS A 60 5.257 -5.833 -10.800 1.00 0.00 C ATOM 950 CG LYS A 60 4.089 -5.276 -11.596 1.00 0.00 C ATOM 951 CD LYS A 60 4.406 -5.213 -13.081 1.00 0.00 C ATOM 952 CE LYS A 60 4.243 -6.572 -13.744 1.00 0.00 C ATOM 953 NZ LYS A 60 2.821 -6.855 -14.086 1.00 0.00 N ATOM 0 H LYS A 60 4.160 -3.591 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 60 6.284 -5.545 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.116 -5.945 -11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.999 -6.829 -10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.209 -5.899 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.843 -4.278 -11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.749 -4.490 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.427 -4.859 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.849 -6.609 -14.649 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.618 -7.349 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.752 -7.790 -14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.247 -6.844 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.471 -6.128 -14.742 1.00 0.00 H new ATOM 967 N LEU A 61 7.613 -4.019 -10.688 1.00 0.00 N ATOM 968 CA LEU A 61 8.471 -2.955 -11.197 1.00 0.00 C ATOM 969 C LEU A 61 7.731 -2.103 -12.222 1.00 0.00 C ATOM 970 O LEU A 61 7.768 -0.874 -12.167 1.00 0.00 O ATOM 971 CB LEU A 61 9.733 -3.548 -11.825 1.00 0.00 C ATOM 972 CG LEU A 61 10.832 -2.550 -12.193 1.00 0.00 C ATOM 973 CD1 LEU A 61 12.187 -3.239 -12.237 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.526 -1.887 -13.528 1.00 0.00 C ATOM 0 H LEU A 61 7.979 -4.960 -10.832 1.00 0.00 H new ATOM 0 HA LEU A 61 8.755 -2.318 -10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.151 -4.279 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.446 -4.090 -12.726 1.00 0.00 H new ATOM 0 HG LEU A 61 10.865 -1.777 -11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.956 -2.513 -12.500 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.410 -3.665 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.167 -4.033 -12.983 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.319 -1.180 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.464 -2.648 -14.306 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.576 -1.358 -13.462 1.00 0.00 H new ATOM 986 N GLY A 62 7.055 -2.764 -13.157 1.00 0.00 N ATOM 987 CA GLY A 62 6.313 -2.051 -14.181 1.00 0.00 C ATOM 988 C GLY A 62 5.150 -1.264 -13.611 1.00 0.00 C ATOM 989 O GLY A 62 4.559 -0.431 -14.299 1.00 0.00 O ATOM 0 H GLY A 62 7.008 -3.781 -13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.985 -1.372 -14.706 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.940 -2.763 -14.917 1.00 0.00 H new ATOM 993 N ALA A 63 4.819 -1.528 -12.352 1.00 0.00 N ATOM 994 CA ALA A 63 3.719 -0.837 -11.690 1.00 0.00 C ATOM 995 C ALA A 63 4.236 0.253 -10.758 1.00 0.00 C ATOM 996 O ALA A 63 3.476 1.110 -10.306 1.00 0.00 O ATOM 997 CB ALA A 63 2.861 -1.830 -10.919 1.00 0.00 C ATOM 0 H ALA A 63 5.297 -2.216 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 63 3.107 -0.362 -12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.043 -1.301 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.454 -2.570 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.471 -2.331 -10.167 1.00 0.00 H new ATOM 1003 N LEU A 64 5.533 0.216 -10.474 1.00 0.00 N ATOM 1004 CA LEU A 64 6.153 1.202 -9.595 1.00 0.00 C ATOM 1005 C LEU A 64 7.143 2.071 -10.364 1.00 0.00 C ATOM 1006 O LEU A 64 6.929 3.271 -10.536 1.00 0.00 O ATOM 1007 CB LEU A 64 6.864 0.504 -8.435 1.00 0.00 C ATOM 1008 CG LEU A 64 6.044 -0.541 -7.676 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.929 -1.694 -7.231 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.349 0.093 -6.479 1.00 0.00 C ATOM 0 H LEU A 64 6.176 -0.486 -10.840 1.00 0.00 H new ATOM 0 HA LEU A 64 5.367 1.844 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.761 0.021 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.192 1.264 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 64 5.281 -0.934 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.328 -2.427 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.380 -2.165 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.715 -1.318 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.770 -0.665 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.096 0.514 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.683 0.884 -6.822 1.00 0.00 H new ATOM 1022 N LYS A 65 8.227 1.457 -10.826 1.00 0.00 N ATOM 1023 CA LYS A 65 9.249 2.172 -11.580 1.00 0.00 C ATOM 1024 C LYS A 65 9.912 3.242 -10.718 1.00 0.00 C ATOM 1025 O LYS A 65 10.301 4.300 -11.214 1.00 0.00 O ATOM 1026 CB LYS A 65 8.637 2.814 -12.827 1.00 0.00 C ATOM 1027 CG LYS A 65 7.830 1.847 -13.675 1.00 0.00 C ATOM 1028 CD LYS A 65 6.840 2.578 -14.567 1.00 0.00 C ATOM 1029 CE LYS A 65 7.517 3.139 -15.808 1.00 0.00 C ATOM 1030 NZ LYS A 65 6.529 3.519 -16.855 1.00 0.00 N ATOM 0 H LYS A 65 8.420 0.465 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 65 10.009 1.453 -11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.995 3.640 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.435 3.239 -13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.504 1.251 -14.290 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.294 1.154 -13.027 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.043 1.896 -14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.374 3.389 -14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.110 4.012 -15.535 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.207 2.398 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.030 3.897 -17.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.980 2.681 -17.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.886 4.245 -16.479 1.00 0.00 H new ATOM 1044 N LEU A 66 10.040 2.959 -9.427 1.00 0.00 N ATOM 1045 CA LEU A 66 10.657 3.897 -8.495 1.00 0.00 C ATOM 1046 C LEU A 66 12.165 3.678 -8.423 1.00 0.00 C ATOM 1047 O LEU A 66 12.719 2.846 -9.142 1.00 0.00 O ATOM 1048 CB LEU A 66 10.041 3.745 -7.104 1.00 0.00 C ATOM 1049 CG LEU A 66 9.163 4.904 -6.628 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.879 4.379 -6.004 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.922 5.776 -5.639 1.00 0.00 C ATOM 0 H LEU A 66 9.725 2.087 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 66 10.471 4.908 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.443 2.834 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.848 3.607 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 66 8.899 5.514 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.267 5.217 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.327 3.797 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.122 3.746 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.282 6.595 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.216 5.177 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.812 6.181 -6.120 1.00 0.00 H new ATOM 1063 N LYS A 67 12.825 4.429 -7.548 1.00 0.00 N ATOM 1064 CA LYS A 67 14.269 4.316 -7.377 1.00 0.00 C ATOM 1065 C LYS A 67 14.618 3.925 -5.944 1.00 0.00 C ATOM 1066 O LYS A 67 13.866 4.181 -5.004 1.00 0.00 O ATOM 1067 CB LYS A 67 14.951 5.638 -7.737 1.00 0.00 C ATOM 1068 CG LYS A 67 14.721 6.739 -6.715 1.00 0.00 C ATOM 1069 CD LYS A 67 15.089 8.103 -7.273 1.00 0.00 C ATOM 1070 CE LYS A 67 16.568 8.184 -7.617 1.00 0.00 C ATOM 1071 NZ LYS A 67 16.797 8.188 -9.088 1.00 0.00 N ATOM 0 H LYS A 67 12.383 5.123 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 67 14.629 3.535 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.023 5.468 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.586 5.973 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.675 6.740 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.314 6.538 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.495 8.305 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.841 8.874 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.993 9.088 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.091 7.338 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.818 8.244 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.414 7.314 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.319 9.009 -9.511 1.00 0.00 H new ATOM 1085 N PRO A 68 15.787 3.291 -5.772 1.00 0.00 N ATOM 1086 CA PRO A 68 16.264 2.853 -4.456 1.00 0.00 C ATOM 1087 C PRO A 68 16.655 4.025 -3.562 1.00 0.00 C ATOM 1088 O PRO A 68 16.844 3.862 -2.358 1.00 0.00 O ATOM 1089 CB PRO A 68 17.491 2.001 -4.789 1.00 0.00 C ATOM 1090 CG PRO A 68 17.967 2.519 -6.103 1.00 0.00 C ATOM 1091 CD PRO A 68 16.735 2.953 -6.847 1.00 0.00 C ATOM 0 HA PRO A 68 15.494 2.317 -3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.260 2.098 -4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.234 0.944 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.655 3.353 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.505 1.748 -6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.935 3.810 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.351 2.158 -7.486 1.00 0.00 H new ATOM 1099 N ASN A 69 16.774 5.206 -4.160 1.00 0.00 N ATOM 1100 CA ASN A 69 17.143 6.405 -3.417 1.00 0.00 C ATOM 1101 C ASN A 69 16.204 6.623 -2.235 1.00 0.00 C ATOM 1102 O ASN A 69 16.556 7.289 -1.261 1.00 0.00 O ATOM 1103 CB ASN A 69 17.118 7.628 -4.336 1.00 0.00 C ATOM 1104 CG ASN A 69 17.814 8.827 -3.722 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.240 9.913 -3.632 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.057 8.636 -3.297 1.00 0.00 N ATOM 0 H ASN A 69 16.620 5.358 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 69 18.154 6.268 -3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.598 7.378 -5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.084 7.888 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.576 9.406 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.493 7.719 -3.392 1.00 0.00 H new ATOM 1113 N THR A 70 15.004 6.058 -2.328 1.00 0.00 N ATOM 1114 CA THR A 70 14.013 6.190 -1.267 1.00 0.00 C ATOM 1115 C THR A 70 14.608 5.832 0.090 1.00 0.00 C ATOM 1116 O THR A 70 14.162 6.328 1.125 1.00 0.00 O ATOM 1117 CB THR A 70 12.786 5.296 -1.530 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.168 4.159 -2.312 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.695 6.072 -2.252 1.00 0.00 C ATOM 0 H THR A 70 14.695 5.505 -3.127 1.00 0.00 H new ATOM 0 HA THR A 70 13.698 7.233 -1.257 1.00 0.00 H new ATOM 0 HB THR A 70 12.395 4.961 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.221 4.415 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.839 5.420 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.386 6.920 -1.641 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.077 6.433 -3.207 1.00 0.00 H new ATOM 1127 N LYS A 71 15.617 4.968 0.078 1.00 0.00 N ATOM 1128 CA LYS A 71 16.276 4.544 1.308 1.00 0.00 C ATOM 1129 C LYS A 71 15.266 4.388 2.440 1.00 0.00 C ATOM 1130 O LYS A 71 14.956 5.349 3.146 1.00 0.00 O ATOM 1131 CB LYS A 71 17.354 5.554 1.708 1.00 0.00 C ATOM 1132 CG LYS A 71 16.841 6.980 1.816 1.00 0.00 C ATOM 1133 CD LYS A 71 17.983 7.976 1.935 1.00 0.00 C ATOM 1134 CE LYS A 71 18.671 7.875 3.288 1.00 0.00 C ATOM 1135 NZ LYS A 71 17.873 8.523 4.366 1.00 0.00 N ATOM 0 H LYS A 71 15.997 4.547 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 71 16.743 3.576 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.781 5.257 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 71 18.161 5.521 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.239 7.218 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.188 7.068 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.709 7.796 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.602 8.987 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.832 6.826 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.653 8.344 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.384 8.448 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.726 9.526 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.951 8.048 4.449 1.00 0.00 H new ATOM 1149 N ILE A 72 14.756 3.173 2.609 1.00 0.00 N ATOM 1150 CA ILE A 72 13.783 2.891 3.657 1.00 0.00 C ATOM 1151 C ILE A 72 14.469 2.393 4.925 1.00 0.00 C ATOM 1152 O ILE A 72 15.486 1.704 4.862 1.00 0.00 O ATOM 1153 CB ILE A 72 12.751 1.844 3.200 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.696 1.628 4.288 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.442 0.533 2.858 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.989 0.448 5.188 1.00 0.00 C ATOM 0 H ILE A 72 15.001 2.367 2.033 1.00 0.00 H new ATOM 0 HA ILE A 72 13.268 3.828 3.870 1.00 0.00 H new ATOM 0 HB ILE A 72 12.252 2.214 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.623 2.529 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.724 1.483 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.699 -0.197 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.159 0.699 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.964 0.156 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.200 0.355 5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.032 -0.463 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.946 0.600 5.688 1.00 0.00 H new ATOM 1168 N MET A 73 13.904 2.747 6.075 1.00 0.00 N ATOM 1169 CA MET A 73 14.460 2.333 7.358 1.00 0.00 C ATOM 1170 C MET A 73 13.542 1.329 8.049 1.00 0.00 C ATOM 1171 O MET A 73 12.321 1.478 8.033 1.00 0.00 O ATOM 1172 CB MET A 73 14.677 3.549 8.260 1.00 0.00 C ATOM 1173 CG MET A 73 15.412 4.690 7.575 1.00 0.00 C ATOM 1174 SD MET A 73 17.073 4.228 7.047 1.00 0.00 S ATOM 1175 CE MET A 73 17.746 5.828 6.605 1.00 0.00 C ATOM 0 H MET A 73 13.062 3.319 6.145 1.00 0.00 H new ATOM 0 HA MET A 73 15.420 1.852 7.172 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.709 3.909 8.610 1.00 0.00 H new ATOM 0 HB3 MET A 73 15.240 3.242 9.141 1.00 0.00 H new ATOM 0 HG2 MET A 73 14.838 5.019 6.709 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.474 5.538 8.257 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.271 5.751 5.653 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.936 6.551 6.515 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.441 6.156 7.378 1.00 0.00 H new ATOM 1185 N MET A 74 14.139 0.308 8.656 1.00 0.00 N ATOM 1186 CA MET A 74 13.374 -0.719 9.354 1.00 0.00 C ATOM 1187 C MET A 74 13.549 -0.595 10.864 1.00 0.00 C ATOM 1188 O MET A 74 14.659 -0.388 11.354 1.00 0.00 O ATOM 1189 CB MET A 74 13.808 -2.111 8.891 1.00 0.00 C ATOM 1190 CG MET A 74 12.852 -3.216 9.310 1.00 0.00 C ATOM 1191 SD MET A 74 13.207 -4.786 8.498 1.00 0.00 S ATOM 1192 CE MET A 74 12.080 -4.712 7.109 1.00 0.00 C ATOM 0 H MET A 74 15.149 0.170 8.679 1.00 0.00 H new ATOM 0 HA MET A 74 12.320 -0.577 9.116 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.898 -2.112 7.805 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.798 -2.326 9.293 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.908 -3.349 10.390 1.00 0.00 H new ATOM 0 HG3 MET A 74 11.830 -2.914 9.079 1.00 0.00 H new ATOM 0 HE1 MET A 74 12.449 -5.351 6.307 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.094 -5.055 7.422 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.010 -3.685 6.751 1.00 0.00 H new ATOM 1202 N MET A 75 12.447 -0.722 11.595 1.00 0.00 N ATOM 1203 CA MET A 75 12.480 -0.625 13.050 1.00 0.00 C ATOM 1204 C MET A 75 11.594 -1.691 13.686 1.00 0.00 C ATOM 1205 O MET A 75 10.489 -1.955 13.216 1.00 0.00 O ATOM 1206 CB MET A 75 12.028 0.766 13.500 1.00 0.00 C ATOM 1207 CG MET A 75 11.825 0.882 15.002 1.00 0.00 C ATOM 1208 SD MET A 75 13.354 0.651 15.929 1.00 0.00 S ATOM 1209 CE MET A 75 12.709 0.311 17.565 1.00 0.00 C ATOM 0 H MET A 75 11.520 -0.892 11.204 1.00 0.00 H new ATOM 0 HA MET A 75 13.507 -0.789 13.377 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.769 1.500 13.184 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.095 1.017 12.995 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.409 1.862 15.234 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.094 0.141 15.324 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.536 0.145 18.255 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.116 1.160 17.906 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.081 -0.579 17.531 1.00 0.00 H new ATOM 1219 N GLY A 76 12.088 -2.301 14.760 1.00 0.00 N ATOM 1220 CA GLY A 76 11.328 -3.332 15.442 1.00 0.00 C ATOM 1221 C GLY A 76 11.050 -4.530 14.556 1.00 0.00 C ATOM 1222 O GLY A 76 9.894 -4.874 14.308 1.00 0.00 O ATOM 0 H GLY A 76 13.000 -2.099 15.169 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.876 -3.658 16.326 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.383 -2.913 15.788 1.00 0.00 H new ATOM 1226 N THR A 77 12.113 -5.168 14.076 1.00 0.00 N ATOM 1227 CA THR A 77 11.978 -6.333 13.210 1.00 0.00 C ATOM 1228 C THR A 77 12.984 -7.415 13.585 1.00 0.00 C ATOM 1229 O THR A 77 14.099 -7.446 13.065 1.00 0.00 O ATOM 1230 CB THR A 77 12.173 -5.957 11.729 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.446 -5.327 11.547 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.068 -5.025 11.257 1.00 0.00 C ATOM 0 H THR A 77 13.077 -4.898 14.272 1.00 0.00 H new ATOM 0 HA THR A 77 10.967 -6.716 13.350 1.00 0.00 H new ATOM 0 HB THR A 77 12.133 -6.871 11.137 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.133 -5.833 12.028 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.227 -4.774 10.208 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.103 -5.519 11.369 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.081 -4.114 11.855 1.00 0.00 H new ATOM 1240 N ARG A 78 12.581 -8.303 14.488 1.00 0.00 N ATOM 1241 CA ARG A 78 13.448 -9.387 14.933 1.00 0.00 C ATOM 1242 C ARG A 78 13.900 -10.241 13.751 1.00 0.00 C ATOM 1243 O ARG A 78 13.550 -9.965 12.605 1.00 0.00 O ATOM 1244 CB ARG A 78 12.724 -10.260 15.959 1.00 0.00 C ATOM 1245 CG ARG A 78 12.743 -9.688 17.367 1.00 0.00 C ATOM 1246 CD ARG A 78 11.594 -10.228 18.204 1.00 0.00 C ATOM 1247 NE ARG A 78 11.955 -11.461 18.898 1.00 0.00 N ATOM 1248 CZ ARG A 78 11.089 -12.200 19.583 1.00 0.00 C ATOM 1249 NH1 ARG A 78 9.818 -11.831 19.665 1.00 0.00 N ATOM 1250 NH2 ARG A 78 11.494 -13.309 20.188 1.00 0.00 N ATOM 0 H ARG A 78 11.660 -8.293 14.926 1.00 0.00 H new ATOM 0 HA ARG A 78 14.329 -8.946 15.399 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.689 -10.393 15.644 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.183 -11.248 15.971 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.690 -9.932 17.847 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.681 -8.601 17.320 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.292 -9.476 18.934 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.733 -10.412 17.562 1.00 0.00 H new ATOM 0 HE ARG A 78 12.925 -11.772 18.855 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.504 -10.978 19.202 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.155 -12.400 20.191 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.471 -13.595 20.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.828 -13.875 20.714 1.00 0.00 H new ATOM 1264 N GLU A 79 14.679 -11.279 14.041 1.00 0.00 N ATOM 1265 CA GLU A 79 15.179 -12.172 13.002 1.00 0.00 C ATOM 1266 C GLU A 79 14.968 -13.632 13.392 1.00 0.00 C ATOM 1267 O GLU A 79 15.704 -14.514 12.952 1.00 0.00 O ATOM 1268 CB GLU A 79 16.664 -11.910 12.745 1.00 0.00 C ATOM 1269 CG GLU A 79 17.546 -12.167 13.956 1.00 0.00 C ATOM 1270 CD GLU A 79 19.019 -11.967 13.658 1.00 0.00 C ATOM 1271 OE1 GLU A 79 19.467 -12.386 12.570 1.00 0.00 O ATOM 1272 OE2 GLU A 79 19.724 -11.392 14.513 1.00 0.00 O ATOM 0 H GLU A 79 14.977 -11.522 14.986 1.00 0.00 H new ATOM 0 HA GLU A 79 14.619 -11.974 12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.999 -12.541 11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.792 -10.876 12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.249 -11.500 14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.385 -13.186 14.308 1.00 0.00 H new ATOM 1279 N GLU A 80 13.958 -13.877 14.221 1.00 0.00 N ATOM 1280 CA GLU A 80 13.652 -15.230 14.671 1.00 0.00 C ATOM 1281 C GLU A 80 12.158 -15.391 14.935 1.00 0.00 C ATOM 1282 O GLU A 80 11.386 -14.441 14.796 1.00 0.00 O ATOM 1283 CB GLU A 80 14.443 -15.561 15.938 1.00 0.00 C ATOM 1284 CG GLU A 80 14.421 -14.452 16.976 1.00 0.00 C ATOM 1285 CD GLU A 80 14.760 -14.948 18.369 1.00 0.00 C ATOM 1286 OE1 GLU A 80 14.642 -16.169 18.607 1.00 0.00 O ATOM 1287 OE2 GLU A 80 15.143 -14.118 19.219 1.00 0.00 O ATOM 0 H GLU A 80 13.339 -13.157 14.594 1.00 0.00 H new ATOM 0 HA GLU A 80 13.940 -15.922 13.880 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.038 -16.471 16.382 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.477 -15.772 15.666 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.131 -13.676 16.688 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.433 -13.991 16.989 1.00 0.00 H new ATOM 1294 N SER A 81 11.756 -16.599 15.315 1.00 0.00 N ATOM 1295 CA SER A 81 10.354 -16.886 15.594 1.00 0.00 C ATOM 1296 C SER A 81 10.189 -17.489 16.986 1.00 0.00 C ATOM 1297 O SER A 81 11.170 -17.732 17.688 1.00 0.00 O ATOM 1298 CB SER A 81 9.788 -17.843 14.542 1.00 0.00 C ATOM 1299 OG SER A 81 10.792 -18.718 14.057 1.00 0.00 O ATOM 0 H SER A 81 12.382 -17.395 15.437 1.00 0.00 H new ATOM 0 HA SER A 81 9.802 -15.947 15.556 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.973 -18.423 14.975 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.368 -17.272 13.714 1.00 0.00 H new ATOM 0 HG SER A 81 10.405 -19.320 13.388 1.00 0.00 H new TER 1305 SER A 81