USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 491 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 NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD21 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD22 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 61 ASN : amide:sc= -1.2 K(o=-1.3,f=0.65) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.0502 USER MOD Set 2.1: A 23 GLN : amide:sc= 1.02 K(o=2.3,f=-5.9!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0059 USER MOD Single : A 1 ASN : amide:sc= 0.255 X(o=0.25,f=0) USER MOD Single : A 2 THR OG1 : rot -83:sc= 1.19 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -171:sc= -0.945 (180deg=-1.14) USER MOD Single : A 21 MET CE :methyl -127:sc= -1.26 (180deg=-2.34!) USER MOD Single : A 24 TYR OH : rot 166:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.367 X(o=0.37,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.09) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 83:sc= 0.922 USER MOD Single : A 60 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.019) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0824 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 10.394 8.866 13.647 1.00 0.00 N ATOM 2 CA GLY A -3 11.001 7.983 14.636 1.00 0.00 C ATOM 3 C GLY A -3 9.984 7.505 15.620 1.00 0.00 C ATOM 4 O GLY A -3 9.417 8.319 16.361 1.00 0.00 O ATOM 0 H1 GLY A -3 11.120 9.185 12.974 1.00 0.00 H new ATOM 0 H2 GLY A -3 9.649 8.353 13.134 1.00 0.00 H new ATOM 0 H3 GLY A -3 9.979 9.691 14.126 1.00 0.00 H new ATOM 0 HA2 GLY A -3 11.458 7.129 14.135 1.00 0.00 H new ATOM 0 HA3 GLY A -3 11.799 8.510 15.159 1.00 0.00 H new ATOM 10 N SER A -2 9.718 6.189 15.599 1.00 0.00 N ATOM 11 CA SER A -2 8.750 5.518 16.481 1.00 0.00 C ATOM 12 C SER A -2 7.292 5.963 16.184 1.00 0.00 C ATOM 13 O SER A -2 7.061 6.813 15.306 1.00 0.00 O ATOM 14 CB SER A -2 9.119 5.741 17.964 1.00 0.00 C ATOM 15 OG SER A -2 10.477 5.366 18.217 1.00 0.00 O ATOM 0 H SER A -2 10.180 5.548 14.954 1.00 0.00 H new ATOM 0 HA SER A -2 8.801 4.449 16.276 1.00 0.00 H new ATOM 0 HB2 SER A -2 8.973 6.789 18.225 1.00 0.00 H new ATOM 0 HB3 SER A -2 8.453 5.158 18.600 1.00 0.00 H new ATOM 0 HG SER A -2 10.688 5.518 19.162 1.00 0.00 H new ATOM 21 N ALA A -1 6.332 5.353 16.902 1.00 0.00 N ATOM 22 CA ALA A -1 4.887 5.629 16.784 1.00 0.00 C ATOM 23 C ALA A -1 4.326 5.126 15.466 1.00 0.00 C ATOM 24 O ALA A -1 4.233 5.875 14.478 1.00 0.00 O ATOM 25 CB ALA A -1 4.524 7.091 17.045 1.00 0.00 C ATOM 0 H ALA A -1 6.543 4.637 17.597 1.00 0.00 H new ATOM 0 HA ALA A -1 4.406 5.063 17.582 1.00 0.00 H new ATOM 0 HB1 ALA A -1 3.447 7.223 16.942 1.00 0.00 H new ATOM 0 HB2 ALA A -1 4.828 7.367 18.055 1.00 0.00 H new ATOM 0 HB3 ALA A -1 5.038 7.728 16.325 1.00 0.00 H new ATOM 31 N SER A 0 3.988 3.836 15.471 1.00 0.00 N ATOM 32 CA SER A 0 3.491 3.082 14.327 1.00 0.00 C ATOM 33 C SER A 0 4.603 2.837 13.308 1.00 0.00 C ATOM 34 O SER A 0 5.327 3.755 12.893 1.00 0.00 O ATOM 35 CB SER A 0 2.242 3.733 13.664 1.00 0.00 C ATOM 36 OG SER A 0 1.746 2.945 12.577 1.00 0.00 O ATOM 0 H SER A 0 4.058 3.265 16.313 1.00 0.00 H new ATOM 0 HA SER A 0 3.159 2.117 14.710 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.458 3.857 14.410 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.499 4.729 13.303 1.00 0.00 H new ATOM 0 HG SER A 0 0.961 3.383 12.186 1.00 0.00 H new ATOM 42 N ASN A 1 4.778 1.604 12.934 1.00 0.00 N ATOM 43 CA ASN A 1 5.751 1.272 11.914 1.00 0.00 C ATOM 44 C ASN A 1 5.012 1.001 10.610 1.00 0.00 C ATOM 45 O ASN A 1 5.620 0.693 9.588 1.00 0.00 O ATOM 46 CB ASN A 1 6.621 0.050 12.313 1.00 0.00 C ATOM 47 CG ASN A 1 5.878 -1.275 12.253 1.00 0.00 C ATOM 48 OD1 ASN A 1 5.254 -1.706 13.222 1.00 0.00 O ATOM 49 ND2 ASN A 1 5.967 -1.934 11.140 1.00 0.00 N ATOM 0 H ASN A 1 4.266 0.808 13.313 1.00 0.00 H new ATOM 0 HA ASN A 1 6.433 2.114 11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 1 7.487 0.001 11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 1 6.999 0.199 13.324 1.00 0.00 H new ATOM 0 HD21 ASN A 1 5.511 -2.842 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 1 6.493 -1.545 10.358 1.00 0.00 H new ATOM 56 N THR A 2 3.704 1.143 10.658 1.00 0.00 N ATOM 57 CA THR A 2 2.876 0.881 9.541 1.00 0.00 C ATOM 58 C THR A 2 2.855 2.071 8.596 1.00 0.00 C ATOM 59 O THR A 2 2.439 3.183 8.957 1.00 0.00 O ATOM 60 CB THR A 2 1.452 0.513 9.982 1.00 0.00 C ATOM 61 OG1 THR A 2 1.500 -0.677 10.810 1.00 0.00 O ATOM 62 CG2 THR A 2 0.572 0.250 8.776 1.00 0.00 C ATOM 0 H THR A 2 3.198 1.447 11.490 1.00 0.00 H new ATOM 0 HA THR A 2 3.293 0.027 9.008 1.00 0.00 H new ATOM 0 HB THR A 2 1.033 1.345 10.547 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.518 -1.473 10.238 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.433 -0.009 9.109 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.529 1.145 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.986 -0.575 8.196 1.00 0.00 H new ATOM 70 N ILE A 3 3.318 1.821 7.421 1.00 0.00 N ATOM 71 CA ILE A 3 3.380 2.770 6.368 1.00 0.00 C ATOM 72 C ILE A 3 2.596 2.204 5.188 1.00 0.00 C ATOM 73 O ILE A 3 2.999 1.221 4.580 1.00 0.00 O ATOM 74 CB ILE A 3 4.873 3.099 6.014 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.015 3.856 4.664 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.768 1.855 6.107 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.449 4.217 4.287 1.00 0.00 C ATOM 0 H ILE A 3 3.681 0.905 7.157 1.00 0.00 H new ATOM 0 HA ILE A 3 2.930 3.718 6.662 1.00 0.00 H new ATOM 0 HB ILE A 3 5.234 3.793 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.588 3.242 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.424 4.771 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.793 2.125 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.736 1.459 7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.410 1.097 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.453 4.742 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.877 4.860 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.043 3.307 4.203 1.00 0.00 H new ATOM 89 N LEU A 4 1.431 2.784 4.934 1.00 0.00 N ATOM 90 CA LEU A 4 0.521 2.312 3.909 1.00 0.00 C ATOM 91 C LEU A 4 1.148 2.386 2.533 1.00 0.00 C ATOM 92 O LEU A 4 1.393 3.478 1.999 1.00 0.00 O ATOM 93 CB LEU A 4 -0.797 3.091 3.944 1.00 0.00 C ATOM 94 CG LEU A 4 -1.564 3.096 5.274 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.930 3.748 5.113 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.685 1.694 5.849 1.00 0.00 C ATOM 0 H LEU A 4 1.092 3.602 5.440 1.00 0.00 H new ATOM 0 HA LEU A 4 0.306 1.265 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.588 4.125 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.453 2.683 3.175 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.992 3.692 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.453 3.739 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.805 4.778 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.512 3.195 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.233 1.733 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.219 1.057 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.690 1.286 6.025 1.00 0.00 H new ATOM 108 N GLY A 5 1.408 1.231 1.978 1.00 0.00 N ATOM 109 CA GLY A 5 2.057 1.148 0.711 1.00 0.00 C ATOM 110 C GLY A 5 3.386 0.430 0.827 1.00 0.00 C ATOM 111 O GLY A 5 3.906 -0.076 -0.148 1.00 0.00 O ATOM 0 H GLY A 5 1.174 0.330 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.416 0.622 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.215 2.150 0.313 1.00 0.00 H new ATOM 115 N ASP A 6 3.929 0.376 2.023 1.00 0.00 N ATOM 116 CA ASP A 6 5.188 -0.277 2.253 1.00 0.00 C ATOM 117 C ASP A 6 4.987 -1.457 3.187 1.00 0.00 C ATOM 118 O ASP A 6 5.044 -1.359 4.407 1.00 0.00 O ATOM 119 CB ASP A 6 6.236 0.711 2.743 1.00 0.00 C ATOM 120 CG ASP A 6 7.549 0.071 3.071 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.012 -0.791 2.298 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.168 0.441 4.069 1.00 0.00 O ATOM 0 H ASP A 6 3.508 0.784 2.858 1.00 0.00 H new ATOM 0 HA ASP A 6 5.575 -0.672 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.392 1.472 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.858 1.221 3.629 1.00 0.00 H new ATOM 127 N LEU A 7 4.699 -2.552 2.560 1.00 0.00 N ATOM 128 CA LEU A 7 4.301 -3.792 3.175 1.00 0.00 C ATOM 129 C LEU A 7 5.485 -4.549 3.734 1.00 0.00 C ATOM 130 O LEU A 7 5.398 -5.165 4.799 1.00 0.00 O ATOM 131 CB LEU A 7 3.568 -4.675 2.143 1.00 0.00 C ATOM 132 CG LEU A 7 2.138 -4.267 1.695 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.070 -2.905 1.039 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.613 -5.288 0.742 1.00 0.00 C ATOM 0 H LEU A 7 4.736 -2.615 1.543 1.00 0.00 H new ATOM 0 HA LEU A 7 3.635 -3.551 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.192 -4.728 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.511 -5.684 2.552 1.00 0.00 H new ATOM 0 HG LEU A 7 1.533 -4.213 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.040 -2.690 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.419 -2.146 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.702 -2.897 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.609 -5.007 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.267 -5.344 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.579 -6.261 1.233 1.00 0.00 H new ATOM 146 N ASN A 8 6.586 -4.517 3.011 1.00 0.00 N ATOM 147 CA ASN A 8 7.788 -5.244 3.427 1.00 0.00 C ATOM 148 C ASN A 8 8.649 -4.419 4.363 1.00 0.00 C ATOM 149 O ASN A 8 9.668 -4.907 4.866 1.00 0.00 O ATOM 150 CB ASN A 8 8.598 -5.764 2.224 1.00 0.00 C ATOM 151 CG ASN A 8 9.240 -4.687 1.369 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.765 -3.561 1.276 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.274 -5.044 0.686 1.00 0.00 N ATOM 0 H ASN A 8 6.682 -4.001 2.136 1.00 0.00 H new ATOM 0 HA ASN A 8 7.448 -6.118 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.380 -6.429 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.940 -6.363 1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.717 -4.383 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.648 -5.988 0.783 1.00 0.00 H new ATOM 160 N ASP A 9 8.214 -3.178 4.591 1.00 0.00 N ATOM 161 CA ASP A 9 8.852 -2.234 5.514 1.00 0.00 C ATOM 162 C ASP A 9 10.295 -1.938 5.106 1.00 0.00 C ATOM 163 O ASP A 9 11.265 -2.292 5.781 1.00 0.00 O ATOM 164 CB ASP A 9 8.693 -2.680 6.997 1.00 0.00 C ATOM 165 CG ASP A 9 9.437 -1.823 8.018 1.00 0.00 C ATOM 166 OD1 ASP A 9 10.328 -2.366 8.718 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.161 -0.616 8.145 1.00 0.00 O ATOM 0 H ASP A 9 7.390 -2.792 4.129 1.00 0.00 H new ATOM 0 HA ASP A 9 8.326 -1.282 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.632 -2.677 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.040 -3.709 7.089 1.00 0.00 H new ATOM 172 N ASP A 10 10.431 -1.369 3.946 1.00 0.00 N ATOM 173 CA ASP A 10 11.736 -1.010 3.423 1.00 0.00 C ATOM 174 C ASP A 10 11.828 0.494 3.184 1.00 0.00 C ATOM 175 O ASP A 10 12.836 1.007 2.683 1.00 0.00 O ATOM 176 CB ASP A 10 12.155 -1.860 2.179 1.00 0.00 C ATOM 177 CG ASP A 10 11.279 -1.723 0.943 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.447 -0.817 0.861 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.384 -2.567 0.028 1.00 0.00 O ATOM 0 H ASP A 10 9.652 -1.137 3.330 1.00 0.00 H new ATOM 0 HA ASP A 10 12.473 -1.261 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.175 -1.589 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.172 -2.910 2.472 1.00 0.00 H new ATOM 184 N GLY A 11 10.758 1.191 3.557 1.00 0.00 N ATOM 185 CA GLY A 11 10.723 2.644 3.540 1.00 0.00 C ATOM 186 C GLY A 11 10.278 3.243 2.238 1.00 0.00 C ATOM 187 O GLY A 11 10.282 4.478 2.081 1.00 0.00 O ATOM 0 H GLY A 11 9.891 0.760 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.055 2.988 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.718 3.021 3.777 1.00 0.00 H new ATOM 191 N VAL A 12 9.877 2.419 1.317 1.00 0.00 N ATOM 192 CA VAL A 12 9.531 2.894 0.007 1.00 0.00 C ATOM 193 C VAL A 12 8.478 1.999 -0.654 1.00 0.00 C ATOM 194 O VAL A 12 8.497 0.776 -0.477 1.00 0.00 O ATOM 195 CB VAL A 12 10.836 3.002 -0.873 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.606 1.686 -0.910 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.551 3.497 -2.277 1.00 0.00 C ATOM 0 H VAL A 12 9.781 1.412 1.447 1.00 0.00 H new ATOM 0 HA VAL A 12 9.085 3.885 0.097 1.00 0.00 H new ATOM 0 HB VAL A 12 11.466 3.748 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.497 1.803 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.899 1.407 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.973 0.906 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.483 3.553 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.868 2.808 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.097 4.487 -2.229 1.00 0.00 H new ATOM 207 N VAL A 13 7.524 2.612 -1.338 1.00 0.00 N ATOM 208 CA VAL A 13 6.567 1.890 -2.133 1.00 0.00 C ATOM 209 C VAL A 13 7.260 1.382 -3.420 1.00 0.00 C ATOM 210 O VAL A 13 7.528 2.142 -4.363 1.00 0.00 O ATOM 211 CB VAL A 13 5.287 2.749 -2.436 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.532 3.046 -1.158 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.620 4.066 -3.128 1.00 0.00 C ATOM 0 H VAL A 13 7.399 3.624 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 13 6.210 1.028 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 13 4.669 2.156 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.649 3.642 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.227 2.110 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.176 3.600 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.701 4.621 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.277 4.656 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.120 3.863 -4.075 1.00 0.00 H new ATOM 223 N ASN A 14 7.657 0.135 -3.379 1.00 0.00 N ATOM 224 CA ASN A 14 8.404 -0.490 -4.454 1.00 0.00 C ATOM 225 C ASN A 14 7.750 -1.777 -4.934 1.00 0.00 C ATOM 226 O ASN A 14 6.767 -2.235 -4.350 1.00 0.00 O ATOM 227 CB ASN A 14 9.868 -0.722 -4.058 1.00 0.00 C ATOM 228 CG ASN A 14 10.099 -1.663 -2.902 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.266 -1.860 -2.016 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.234 -2.216 -2.876 1.00 0.00 N ATOM 0 H ASN A 14 7.471 -0.486 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 14 8.392 0.205 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.402 -1.107 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.314 0.241 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.479 -2.842 -2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.906 -2.036 -3.622 1.00 0.00 H new ATOM 237 N GLY A 15 8.347 -2.393 -5.955 1.00 0.00 N ATOM 238 CA GLY A 15 7.815 -3.626 -6.562 1.00 0.00 C ATOM 239 C GLY A 15 7.752 -4.811 -5.600 1.00 0.00 C ATOM 240 O GLY A 15 6.938 -5.721 -5.776 1.00 0.00 O ATOM 0 H GLY A 15 9.208 -2.058 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.814 -3.428 -6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.436 -3.896 -7.416 1.00 0.00 H new ATOM 244 N ARG A 16 8.588 -4.785 -4.564 1.00 0.00 N ATOM 245 CA ARG A 16 8.606 -5.849 -3.558 1.00 0.00 C ATOM 246 C ARG A 16 7.298 -5.880 -2.795 1.00 0.00 C ATOM 247 O ARG A 16 6.842 -6.938 -2.384 1.00 0.00 O ATOM 248 CB ARG A 16 9.745 -5.664 -2.565 1.00 0.00 C ATOM 249 CG ARG A 16 11.114 -5.595 -3.193 1.00 0.00 C ATOM 250 CD ARG A 16 11.480 -6.879 -3.904 1.00 0.00 C ATOM 251 NE ARG A 16 12.723 -6.740 -4.656 1.00 0.00 N ATOM 252 CZ ARG A 16 13.162 -7.599 -5.575 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.430 -8.661 -5.913 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.306 -7.366 -6.190 1.00 0.00 N ATOM 0 H ARG A 16 9.263 -4.039 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 16 8.751 -6.789 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.572 -4.749 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.727 -6.488 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.146 -4.767 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.855 -5.384 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.583 -7.683 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.674 -7.163 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 16 13.301 -5.922 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.527 -8.821 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.773 -9.314 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.848 -6.533 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.648 -8.019 -6.895 1.00 0.00 H new ATOM 268 N ASP A 17 6.687 -4.710 -2.633 1.00 0.00 N ATOM 269 CA ASP A 17 5.423 -4.579 -1.925 1.00 0.00 C ATOM 270 C ASP A 17 4.340 -5.279 -2.680 1.00 0.00 C ATOM 271 O ASP A 17 3.497 -5.928 -2.086 1.00 0.00 O ATOM 272 CB ASP A 17 5.041 -3.124 -1.719 1.00 0.00 C ATOM 273 CG ASP A 17 6.032 -2.380 -0.882 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.653 -1.432 -1.350 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.307 -2.767 0.262 1.00 0.00 O ATOM 0 H ASP A 17 7.056 -3.828 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 17 5.546 -5.037 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.951 -2.635 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.061 -3.074 -1.245 1.00 0.00 H new ATOM 280 N ILE A 18 4.386 -5.150 -4.007 1.00 0.00 N ATOM 281 CA ILE A 18 3.474 -5.833 -4.940 1.00 0.00 C ATOM 282 C ILE A 18 3.440 -7.326 -4.656 1.00 0.00 C ATOM 283 O ILE A 18 2.369 -7.936 -4.592 1.00 0.00 O ATOM 284 CB ILE A 18 3.902 -5.589 -6.444 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.509 -4.205 -6.943 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.323 -6.639 -7.385 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.070 -3.056 -6.199 1.00 0.00 C ATOM 0 H ILE A 18 5.070 -4.557 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 18 2.478 -5.415 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 18 4.989 -5.668 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.813 -4.118 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.422 -4.129 -6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.644 -6.430 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.676 -7.627 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.235 -6.612 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.720 -2.126 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.746 -3.102 -5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.159 -3.091 -6.242 1.00 0.00 H new ATOM 299 N VAL A 19 4.614 -7.885 -4.463 1.00 0.00 N ATOM 300 CA VAL A 19 4.773 -9.301 -4.170 1.00 0.00 C ATOM 301 C VAL A 19 4.048 -9.638 -2.885 1.00 0.00 C ATOM 302 O VAL A 19 3.160 -10.475 -2.881 1.00 0.00 O ATOM 303 CB VAL A 19 6.264 -9.680 -4.016 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.449 -11.192 -3.913 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.077 -9.097 -5.153 1.00 0.00 C ATOM 0 H VAL A 19 5.494 -7.371 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 19 4.354 -9.865 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 19 6.629 -9.251 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.509 -11.422 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.907 -11.567 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.064 -11.668 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.124 -9.373 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.708 -9.487 -6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.985 -8.011 -5.147 1.00 0.00 H new ATOM 315 N MET A 20 4.381 -8.896 -1.831 1.00 0.00 N ATOM 316 CA MET A 20 3.837 -9.091 -0.469 1.00 0.00 C ATOM 317 C MET A 20 2.301 -8.986 -0.479 1.00 0.00 C ATOM 318 O MET A 20 1.599 -9.773 0.172 1.00 0.00 O ATOM 319 CB MET A 20 4.382 -8.007 0.460 1.00 0.00 C ATOM 320 CG MET A 20 5.892 -7.797 0.415 1.00 0.00 C ATOM 321 SD MET A 20 6.869 -9.121 1.149 1.00 0.00 S ATOM 322 CE MET A 20 6.501 -8.894 2.885 1.00 0.00 C ATOM 0 H MET A 20 5.048 -8.126 -1.890 1.00 0.00 H new ATOM 0 HA MET A 20 4.134 -10.080 -0.122 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.895 -7.064 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.098 -8.254 1.483 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.196 -7.676 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.129 -6.864 0.927 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.153 -9.533 3.482 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.665 -7.852 3.158 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.461 -9.159 3.074 1.00 0.00 H new ATOM 332 N MET A 21 1.818 -7.997 -1.227 1.00 0.00 N ATOM 333 CA MET A 21 0.392 -7.707 -1.444 1.00 0.00 C ATOM 334 C MET A 21 -0.292 -8.946 -1.976 1.00 0.00 C ATOM 335 O MET A 21 -1.200 -9.492 -1.350 1.00 0.00 O ATOM 336 CB MET A 21 0.311 -6.604 -2.512 1.00 0.00 C ATOM 337 CG MET A 21 -1.071 -6.051 -2.902 1.00 0.00 C ATOM 338 SD MET A 21 -1.702 -4.703 -1.868 1.00 0.00 S ATOM 339 CE MET A 21 -2.122 -5.507 -0.345 1.00 0.00 C ATOM 0 H MET A 21 2.429 -7.346 -1.721 1.00 0.00 H new ATOM 0 HA MET A 21 -0.088 -7.398 -0.515 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.917 -5.766 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.781 -6.986 -3.418 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.023 -5.701 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.790 -6.870 -2.876 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.152 -5.269 -0.080 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.017 -6.586 -0.462 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.455 -5.161 0.445 1.00 0.00 H new ATOM 349 N ARG A 22 0.237 -9.416 -3.092 1.00 0.00 N ATOM 350 CA ARG A 22 -0.276 -10.553 -3.821 1.00 0.00 C ATOM 351 C ARG A 22 -0.190 -11.850 -3.020 1.00 0.00 C ATOM 352 O ARG A 22 -1.020 -12.725 -3.201 1.00 0.00 O ATOM 353 CB ARG A 22 0.447 -10.675 -5.160 1.00 0.00 C ATOM 354 CG ARG A 22 0.065 -9.609 -6.178 1.00 0.00 C ATOM 355 CD ARG A 22 0.967 -9.676 -7.403 1.00 0.00 C ATOM 356 NE ARG A 22 0.550 -8.749 -8.476 1.00 0.00 N ATOM 357 CZ ARG A 22 1.268 -8.485 -9.589 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.368 -9.181 -9.851 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.850 -7.564 -10.444 1.00 0.00 N ATOM 0 H ARG A 22 1.061 -9.001 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.337 -10.382 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.522 -10.625 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.238 -11.657 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.974 -9.744 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.139 -8.622 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.990 -9.445 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.970 -10.695 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.346 -8.274 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.671 -9.916 -9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.910 -8.981 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.014 -7.054 -10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.392 -7.365 -11.285 1.00 0.00 H new ATOM 373 N GLN A 23 0.811 -11.961 -2.136 1.00 0.00 N ATOM 374 CA GLN A 23 0.965 -13.127 -1.273 1.00 0.00 C ATOM 375 C GLN A 23 -0.225 -13.263 -0.340 1.00 0.00 C ATOM 376 O GLN A 23 -0.907 -14.285 -0.333 1.00 0.00 O ATOM 377 CB GLN A 23 2.201 -12.995 -0.403 1.00 0.00 C ATOM 378 CG GLN A 23 3.515 -12.855 -1.126 1.00 0.00 C ATOM 379 CD GLN A 23 3.831 -14.056 -1.983 1.00 0.00 C ATOM 380 OE1 GLN A 23 4.442 -15.009 -1.526 1.00 0.00 O ATOM 381 NE2 GLN A 23 3.441 -14.019 -3.216 1.00 0.00 N ATOM 0 H GLN A 23 1.528 -11.248 -2.004 1.00 0.00 H new ATOM 0 HA GLN A 23 1.047 -13.997 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.073 -12.127 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.258 -13.870 0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.489 -11.963 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.314 -12.711 -0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.932 -13.207 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.642 -14.802 -3.838 1.00 0.00 H new ATOM 390 N TYR A 24 -0.472 -12.216 0.440 1.00 0.00 N ATOM 391 CA TYR A 24 -1.533 -12.226 1.428 1.00 0.00 C ATOM 392 C TYR A 24 -2.890 -12.326 0.763 1.00 0.00 C ATOM 393 O TYR A 24 -3.770 -13.053 1.229 1.00 0.00 O ATOM 394 CB TYR A 24 -1.439 -10.983 2.278 1.00 0.00 C ATOM 395 CG TYR A 24 -2.401 -10.947 3.448 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.660 -10.388 3.309 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.046 -11.460 4.685 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.537 -10.336 4.353 1.00 0.00 C ATOM 399 CE2 TYR A 24 -2.928 -11.415 5.746 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.175 -10.848 5.573 1.00 0.00 C ATOM 401 OH TYR A 24 -5.057 -10.782 6.630 1.00 0.00 O ATOM 0 H TYR A 24 0.056 -11.344 0.402 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.416 -13.102 2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.421 -10.894 2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.621 -10.113 1.648 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.955 -9.984 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.069 -11.900 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.513 -9.893 4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.644 -11.821 6.706 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.755 -11.379 7.346 1.00 0.00 H new ATOM 411 N LEU A 25 -3.045 -11.590 -0.314 1.00 0.00 N ATOM 412 CA LEU A 25 -4.275 -11.635 -1.148 1.00 0.00 C ATOM 413 C LEU A 25 -4.554 -13.056 -1.661 1.00 0.00 C ATOM 414 O LEU A 25 -5.703 -13.470 -1.771 1.00 0.00 O ATOM 415 CB LEU A 25 -4.199 -10.669 -2.336 1.00 0.00 C ATOM 416 CG LEU A 25 -4.232 -9.165 -2.027 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.984 -8.372 -3.292 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.568 -8.745 -1.424 1.00 0.00 C ATOM 0 H LEU A 25 -2.338 -10.938 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.095 -11.323 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.281 -10.880 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.029 -10.893 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.447 -8.961 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.009 -7.306 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.007 -8.633 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.757 -8.605 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.554 -7.675 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.371 -8.969 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.736 -9.290 -0.495 1.00 0.00 H new ATOM 430 N ALA A 26 -3.489 -13.803 -1.933 1.00 0.00 N ATOM 431 CA ALA A 26 -3.585 -15.199 -2.390 1.00 0.00 C ATOM 432 C ALA A 26 -3.883 -16.154 -1.239 1.00 0.00 C ATOM 433 O ALA A 26 -3.970 -17.372 -1.437 1.00 0.00 O ATOM 434 CB ALA A 26 -2.303 -15.622 -3.067 1.00 0.00 C ATOM 0 H ALA A 26 -2.531 -13.464 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.411 -15.247 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.391 -16.657 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.117 -14.980 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.475 -15.536 -2.364 1.00 0.00 H new ATOM 440 N GLY A 27 -4.005 -15.612 -0.054 1.00 0.00 N ATOM 441 CA GLY A 27 -4.304 -16.396 1.090 1.00 0.00 C ATOM 442 C GLY A 27 -3.077 -16.921 1.773 1.00 0.00 C ATOM 443 O GLY A 27 -3.172 -17.811 2.602 1.00 0.00 O ATOM 0 H GLY A 27 -3.898 -14.615 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.878 -15.796 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.936 -17.233 0.795 1.00 0.00 H new ATOM 447 N LYS A 28 -1.913 -16.392 1.427 1.00 0.00 N ATOM 448 CA LYS A 28 -0.696 -16.816 2.079 1.00 0.00 C ATOM 449 C LYS A 28 -0.460 -15.973 3.305 1.00 0.00 C ATOM 450 O LYS A 28 -0.979 -14.848 3.422 1.00 0.00 O ATOM 451 CB LYS A 28 0.552 -16.686 1.179 1.00 0.00 C ATOM 452 CG LYS A 28 0.523 -17.442 -0.138 1.00 0.00 C ATOM 453 CD LYS A 28 1.864 -17.292 -0.883 1.00 0.00 C ATOM 454 CE LYS A 28 3.043 -17.828 -0.054 1.00 0.00 C ATOM 455 NZ LYS A 28 4.345 -17.629 -0.709 1.00 0.00 N ATOM 0 H LYS A 28 -1.791 -15.679 0.708 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.833 -17.869 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.707 -15.629 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.418 -17.025 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.320 -18.497 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.289 -17.066 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.814 -17.827 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.033 -16.241 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.052 -17.333 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.895 -18.892 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.107 -17.753 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.459 -18.325 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.391 -16.669 -1.105 1.00 0.00 H new ATOM 469 N THR A 29 0.293 -16.503 4.205 1.00 0.00 N ATOM 470 CA THR A 29 0.734 -15.774 5.343 1.00 0.00 C ATOM 471 C THR A 29 2.106 -15.306 5.011 1.00 0.00 C ATOM 472 O THR A 29 3.009 -16.114 4.795 1.00 0.00 O ATOM 473 CB THR A 29 0.777 -16.637 6.615 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.489 -17.290 6.774 1.00 0.00 O ATOM 475 CG2 THR A 29 1.026 -15.756 7.839 1.00 0.00 C ATOM 0 H THR A 29 0.624 -17.467 4.171 1.00 0.00 H new ATOM 0 HA THR A 29 0.045 -14.957 5.555 1.00 0.00 H new ATOM 0 HB THR A 29 1.580 -17.369 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.472 -17.845 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.055 -16.377 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.978 -15.237 7.726 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.223 -15.025 7.930 1.00 0.00 H new ATOM 483 N VAL A 30 2.257 -14.040 4.886 1.00 0.00 N ATOM 484 CA VAL A 30 3.521 -13.508 4.528 1.00 0.00 C ATOM 485 C VAL A 30 4.275 -13.294 5.815 1.00 0.00 C ATOM 486 O VAL A 30 3.900 -12.456 6.633 1.00 0.00 O ATOM 487 CB VAL A 30 3.376 -12.180 3.760 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.605 -11.902 2.917 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.115 -12.162 2.915 1.00 0.00 C ATOM 0 H VAL A 30 1.520 -13.349 5.026 1.00 0.00 H new ATOM 0 HA VAL A 30 4.050 -14.193 3.865 1.00 0.00 H new ATOM 0 HB VAL A 30 3.287 -11.381 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.476 -10.959 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.482 -11.838 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.742 -12.708 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.044 -11.211 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.150 -12.977 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.244 -12.285 3.559 1.00 0.00 H new ATOM 499 N SER A 31 5.257 -14.094 6.034 1.00 0.00 N ATOM 500 CA SER A 31 6.016 -14.014 7.231 1.00 0.00 C ATOM 501 C SER A 31 6.966 -12.808 7.146 1.00 0.00 C ATOM 502 O SER A 31 7.825 -12.747 6.264 1.00 0.00 O ATOM 503 CB SER A 31 6.759 -15.338 7.418 1.00 0.00 C ATOM 504 OG SER A 31 5.845 -16.439 7.375 1.00 0.00 O ATOM 0 H SER A 31 5.558 -14.824 5.388 1.00 0.00 H new ATOM 0 HA SER A 31 5.378 -13.860 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.511 -15.452 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.287 -15.334 8.372 1.00 0.00 H new ATOM 0 HG SER A 31 6.337 -17.278 7.495 1.00 0.00 H new ATOM 510 N GLY A 32 6.772 -11.844 8.032 1.00 0.00 N ATOM 511 CA GLY A 32 7.589 -10.657 8.024 1.00 0.00 C ATOM 512 C GLY A 32 6.977 -9.527 7.209 1.00 0.00 C ATOM 513 O GLY A 32 7.699 -8.748 6.588 1.00 0.00 O ATOM 0 H GLY A 32 6.058 -11.866 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.741 -10.319 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.572 -10.900 7.620 1.00 0.00 H new ATOM 517 N ILE A 33 5.660 -9.449 7.177 1.00 0.00 N ATOM 518 CA ILE A 33 4.973 -8.389 6.458 1.00 0.00 C ATOM 519 C ILE A 33 4.316 -7.476 7.477 1.00 0.00 C ATOM 520 O ILE A 33 4.020 -7.916 8.597 1.00 0.00 O ATOM 521 CB ILE A 33 3.869 -8.992 5.505 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.318 -7.951 4.520 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.701 -9.608 6.302 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.366 -8.550 3.482 1.00 0.00 C ATOM 0 H ILE A 33 5.040 -10.111 7.643 1.00 0.00 H new ATOM 0 HA ILE A 33 5.688 -7.836 5.849 1.00 0.00 H new ATOM 0 HB ILE A 33 4.365 -9.778 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.795 -7.174 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.150 -7.470 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.962 -10.012 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.077 -10.408 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.237 -8.839 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.012 -7.763 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.892 -9.308 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.516 -9.006 3.989 1.00 0.00 H new ATOM 536 N ASP A 34 4.124 -6.222 7.152 1.00 0.00 N ATOM 537 CA ASP A 34 3.313 -5.414 8.021 1.00 0.00 C ATOM 538 C ASP A 34 1.934 -5.545 7.495 1.00 0.00 C ATOM 539 O ASP A 34 1.584 -4.877 6.537 1.00 0.00 O ATOM 540 CB ASP A 34 3.675 -3.935 8.060 1.00 0.00 C ATOM 541 CG ASP A 34 2.993 -3.279 9.253 1.00 0.00 C ATOM 542 OD1 ASP A 34 1.827 -2.861 9.150 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.599 -3.231 10.330 1.00 0.00 O ATOM 0 H ASP A 34 4.501 -5.755 6.327 1.00 0.00 H new ATOM 0 HA ASP A 34 3.454 -5.765 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.756 -3.816 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.363 -3.448 7.136 1.00 0.00 H new ATOM 548 N LYS A 35 1.161 -6.423 8.097 1.00 0.00 N ATOM 549 CA LYS A 35 -0.172 -6.801 7.620 1.00 0.00 C ATOM 550 C LYS A 35 -1.147 -5.598 7.555 1.00 0.00 C ATOM 551 O LYS A 35 -2.148 -5.626 6.836 1.00 0.00 O ATOM 552 CB LYS A 35 -0.732 -7.883 8.530 1.00 0.00 C ATOM 553 CG LYS A 35 -1.988 -8.574 8.021 1.00 0.00 C ATOM 554 CD LYS A 35 -2.556 -9.538 9.066 1.00 0.00 C ATOM 555 CE LYS A 35 -2.970 -8.823 10.358 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.458 -9.761 11.381 1.00 0.00 N ATOM 0 H LYS A 35 1.438 -6.910 8.950 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.071 -7.174 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.039 -8.637 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.949 -7.441 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.739 -7.826 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.759 -9.120 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.419 -10.055 8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.810 -10.299 9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.119 -8.268 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.749 -8.094 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.726 -9.233 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.286 -10.273 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.707 -10.441 11.615 1.00 0.00 H new ATOM 570 N ASN A 36 -0.816 -4.546 8.261 1.00 0.00 N ATOM 571 CA ASN A 36 -1.648 -3.381 8.363 1.00 0.00 C ATOM 572 C ASN A 36 -1.340 -2.426 7.220 1.00 0.00 C ATOM 573 O ASN A 36 -2.177 -1.615 6.838 1.00 0.00 O ATOM 574 CB ASN A 36 -1.374 -2.665 9.681 1.00 0.00 C ATOM 575 CG ASN A 36 -1.290 -3.593 10.866 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.294 -3.926 11.497 1.00 0.00 O ATOM 577 ND2 ASN A 36 -0.083 -3.989 11.194 1.00 0.00 N ATOM 0 H ASN A 36 0.054 -4.477 8.788 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.692 -3.691 8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.439 -2.112 9.597 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.162 -1.933 9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.052 -4.598 12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.720 -3.688 10.642 1.00 0.00 H new ATOM 584 N ALA A 37 -0.139 -2.564 6.636 1.00 0.00 N ATOM 585 CA ALA A 37 0.320 -1.669 5.572 1.00 0.00 C ATOM 586 C ALA A 37 -0.269 -2.064 4.240 1.00 0.00 C ATOM 587 O ALA A 37 -0.062 -1.382 3.236 1.00 0.00 O ATOM 588 CB ALA A 37 1.839 -1.657 5.495 1.00 0.00 C ATOM 0 H ALA A 37 0.531 -3.291 6.887 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.023 -0.663 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.158 -0.985 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.249 -1.313 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.201 -2.664 5.287 1.00 0.00 H new ATOM 594 N LEU A 38 -1.001 -3.167 4.249 1.00 0.00 N ATOM 595 CA LEU A 38 -1.655 -3.691 3.069 1.00 0.00 C ATOM 596 C LEU A 38 -2.905 -2.941 2.780 1.00 0.00 C ATOM 597 O LEU A 38 -3.337 -2.903 1.661 1.00 0.00 O ATOM 598 CB LEU A 38 -1.998 -5.179 3.186 1.00 0.00 C ATOM 599 CG LEU A 38 -0.868 -6.183 3.084 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.064 -6.069 4.212 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.415 -7.565 2.999 1.00 0.00 C ATOM 0 H LEU A 38 -1.157 -3.727 5.087 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.940 -3.569 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.494 -5.332 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.725 -5.415 2.409 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.309 -5.963 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.860 -6.806 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.496 -5.068 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.470 -6.248 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.593 -8.278 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.003 -7.779 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.050 -7.651 2.117 1.00 0.00 H new ATOM 613 N ASP A 39 -3.500 -2.346 3.793 1.00 0.00 N ATOM 614 CA ASP A 39 -4.688 -1.562 3.592 1.00 0.00 C ATOM 615 C ASP A 39 -4.282 -0.150 3.243 1.00 0.00 C ATOM 616 O ASP A 39 -4.248 0.752 4.072 1.00 0.00 O ATOM 617 CB ASP A 39 -5.628 -1.645 4.785 1.00 0.00 C ATOM 618 CG ASP A 39 -6.862 -0.779 4.638 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.589 -0.893 3.618 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.156 0.013 5.558 1.00 0.00 O ATOM 0 H ASP A 39 -3.177 -2.394 4.759 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.262 -1.965 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.935 -2.681 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.089 -1.348 5.685 1.00 0.00 H new ATOM 625 N ILE A 40 -3.881 -0.030 2.013 1.00 0.00 N ATOM 626 CA ILE A 40 -3.305 1.151 1.436 1.00 0.00 C ATOM 627 C ILE A 40 -4.345 2.223 1.184 1.00 0.00 C ATOM 628 O ILE A 40 -4.072 3.411 1.328 1.00 0.00 O ATOM 629 CB ILE A 40 -2.569 0.777 0.127 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.595 -0.354 0.434 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.811 1.983 -0.431 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.017 -1.027 -0.766 1.00 0.00 C ATOM 0 H ILE A 40 -3.951 -0.798 1.345 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.591 1.567 2.147 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.294 0.461 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.779 0.042 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.107 -1.101 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.301 1.698 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.514 2.789 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.078 2.322 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.337 -1.817 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.820 -1.459 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.471 -0.298 -1.365 1.00 0.00 H new ATOM 644 N ASN A 41 -5.542 1.822 0.836 1.00 0.00 N ATOM 645 CA ASN A 41 -6.578 2.808 0.554 1.00 0.00 C ATOM 646 C ASN A 41 -7.256 3.272 1.846 1.00 0.00 C ATOM 647 O ASN A 41 -7.982 4.269 1.851 1.00 0.00 O ATOM 648 CB ASN A 41 -7.620 2.281 -0.455 1.00 0.00 C ATOM 649 CG ASN A 41 -8.623 1.299 0.120 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.351 0.578 1.072 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.770 1.230 -0.481 1.00 0.00 N ATOM 0 H ASN A 41 -5.828 0.848 0.740 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.089 3.666 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.162 3.130 -0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.095 1.801 -1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.473 0.563 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.969 1.843 -1.272 1.00 0.00 H new ATOM 658 N GLY A 42 -6.981 2.558 2.933 1.00 0.00 N ATOM 659 CA GLY A 42 -7.549 2.887 4.217 1.00 0.00 C ATOM 660 C GLY A 42 -9.049 2.581 4.331 1.00 0.00 C ATOM 661 O GLY A 42 -9.857 3.485 4.605 1.00 0.00 O ATOM 0 H GLY A 42 -6.364 1.746 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.016 2.335 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.389 3.947 4.413 1.00 0.00 H new ATOM 665 N ASP A 43 -9.428 1.334 4.127 1.00 0.00 N ATOM 666 CA ASP A 43 -10.835 0.927 4.289 1.00 0.00 C ATOM 667 C ASP A 43 -10.992 -0.053 5.448 1.00 0.00 C ATOM 668 O ASP A 43 -12.118 -0.316 5.906 1.00 0.00 O ATOM 669 CB ASP A 43 -11.500 0.363 2.991 1.00 0.00 C ATOM 670 CG ASP A 43 -10.833 -0.863 2.404 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.630 -0.935 1.195 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.386 -1.736 3.112 1.00 0.00 O ATOM 0 H ASP A 43 -8.797 0.581 3.851 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.375 1.846 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.540 0.121 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.508 1.149 2.236 1.00 0.00 H new ATOM 677 N GLY A 44 -9.869 -0.580 5.916 1.00 0.00 N ATOM 678 CA GLY A 44 -9.855 -1.500 7.030 1.00 0.00 C ATOM 679 C GLY A 44 -9.669 -2.949 6.617 1.00 0.00 C ATOM 680 O GLY A 44 -9.455 -3.814 7.466 1.00 0.00 O ATOM 0 H GLY A 44 -8.947 -0.378 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.053 -1.219 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.791 -1.405 7.581 1.00 0.00 H new ATOM 684 N ALA A 45 -9.732 -3.220 5.339 1.00 0.00 N ATOM 685 CA ALA A 45 -9.591 -4.573 4.840 1.00 0.00 C ATOM 686 C ALA A 45 -8.553 -4.628 3.733 1.00 0.00 C ATOM 687 O ALA A 45 -8.316 -3.643 3.043 1.00 0.00 O ATOM 688 CB ALA A 45 -10.927 -5.078 4.330 1.00 0.00 C ATOM 0 H ALA A 45 -9.881 -2.517 4.615 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.257 -5.213 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.813 -6.096 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.654 -5.069 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.276 -4.433 3.524 1.00 0.00 H new ATOM 694 N VAL A 46 -7.949 -5.760 3.564 1.00 0.00 N ATOM 695 CA VAL A 46 -6.963 -5.968 2.566 1.00 0.00 C ATOM 696 C VAL A 46 -7.655 -6.505 1.313 1.00 0.00 C ATOM 697 O VAL A 46 -8.118 -7.650 1.274 1.00 0.00 O ATOM 698 CB VAL A 46 -5.906 -6.954 3.076 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.861 -7.160 2.044 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.278 -6.455 4.372 1.00 0.00 C ATOM 0 H VAL A 46 -8.137 -6.585 4.134 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.457 -5.032 2.327 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.395 -7.906 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.115 -7.862 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.317 -7.562 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.381 -6.208 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.531 -7.172 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.802 -5.490 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.051 -6.346 5.133 1.00 0.00 H new ATOM 710 N ASN A 47 -7.790 -5.650 0.345 1.00 0.00 N ATOM 711 CA ASN A 47 -8.523 -5.945 -0.867 1.00 0.00 C ATOM 712 C ASN A 47 -7.801 -5.469 -2.122 1.00 0.00 C ATOM 713 O ASN A 47 -6.734 -4.862 -2.040 1.00 0.00 O ATOM 714 CB ASN A 47 -9.972 -5.406 -0.758 1.00 0.00 C ATOM 715 CG ASN A 47 -10.093 -4.001 -0.155 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.272 -3.107 -0.382 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.070 -3.826 0.680 1.00 0.00 N ATOM 0 H ASN A 47 -7.391 -4.711 0.367 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.580 -7.028 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.417 -5.399 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.557 -6.098 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.172 -2.935 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.736 -4.580 0.851 1.00 0.00 H new ATOM 724 N GLY A 48 -8.404 -5.726 -3.288 1.00 0.00 N ATOM 725 CA GLY A 48 -7.805 -5.369 -4.578 1.00 0.00 C ATOM 726 C GLY A 48 -7.742 -3.876 -4.796 1.00 0.00 C ATOM 727 O GLY A 48 -7.004 -3.400 -5.652 1.00 0.00 O ATOM 0 H GLY A 48 -9.313 -6.183 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.798 -5.783 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.383 -5.826 -5.381 1.00 0.00 H new ATOM 731 N ARG A 49 -8.515 -3.140 -4.007 1.00 0.00 N ATOM 732 CA ARG A 49 -8.492 -1.685 -4.024 1.00 0.00 C ATOM 733 C ARG A 49 -7.114 -1.219 -3.613 1.00 0.00 C ATOM 734 O ARG A 49 -6.541 -0.327 -4.226 1.00 0.00 O ATOM 735 CB ARG A 49 -9.472 -1.126 -3.007 1.00 0.00 C ATOM 736 CG ARG A 49 -10.946 -1.437 -3.215 1.00 0.00 C ATOM 737 CD ARG A 49 -11.539 -0.694 -4.408 1.00 0.00 C ATOM 738 NE ARG A 49 -11.167 -1.298 -5.686 1.00 0.00 N ATOM 739 CZ ARG A 49 -10.680 -0.656 -6.749 1.00 0.00 C ATOM 740 NH1 ARG A 49 -10.406 0.641 -6.693 1.00 0.00 N ATOM 741 NH2 ARG A 49 -10.457 -1.329 -7.861 1.00 0.00 N ATOM 0 H ARG A 49 -9.175 -3.536 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.755 -1.345 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.185 -1.496 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.355 -0.042 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.070 -2.510 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.500 -1.172 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.625 -0.680 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.204 0.343 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.292 -2.307 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.567 1.160 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.034 1.120 -7.513 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.657 -2.328 -7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.085 -0.850 -8.681 1.00 0.00 H new ATOM 755 N ASP A 50 -6.586 -1.876 -2.585 1.00 0.00 N ATOM 756 CA ASP A 50 -5.281 -1.575 -2.019 1.00 0.00 C ATOM 757 C ASP A 50 -4.221 -1.931 -2.996 1.00 0.00 C ATOM 758 O ASP A 50 -3.275 -1.204 -3.169 1.00 0.00 O ATOM 759 CB ASP A 50 -5.041 -2.373 -0.765 1.00 0.00 C ATOM 760 CG ASP A 50 -6.078 -2.174 0.271 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.266 -1.066 0.743 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.775 -3.112 0.646 1.00 0.00 O ATOM 0 H ASP A 50 -7.064 -2.645 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.255 -0.511 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.994 -3.431 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.070 -2.101 -0.352 1.00 0.00 H new ATOM 767 N LEU A 51 -4.415 -3.062 -3.647 1.00 0.00 N ATOM 768 CA LEU A 51 -3.532 -3.541 -4.697 1.00 0.00 C ATOM 769 C LEU A 51 -3.437 -2.502 -5.810 1.00 0.00 C ATOM 770 O LEU A 51 -2.356 -2.179 -6.271 1.00 0.00 O ATOM 771 CB LEU A 51 -4.053 -4.894 -5.224 1.00 0.00 C ATOM 772 CG LEU A 51 -3.400 -5.502 -6.485 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.895 -5.695 -6.318 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.058 -6.834 -6.788 1.00 0.00 C ATOM 0 H LEU A 51 -5.201 -3.684 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.528 -3.693 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.956 -5.622 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.118 -4.782 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.547 -4.806 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.480 -6.125 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.424 -4.731 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.705 -6.367 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.603 -7.271 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.922 -7.508 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.123 -6.682 -6.963 1.00 0.00 H new ATOM 786 N MET A 52 -4.576 -1.941 -6.184 1.00 0.00 N ATOM 787 CA MET A 52 -4.617 -0.902 -7.206 1.00 0.00 C ATOM 788 C MET A 52 -4.001 0.408 -6.720 1.00 0.00 C ATOM 789 O MET A 52 -3.454 1.178 -7.518 1.00 0.00 O ATOM 790 CB MET A 52 -6.024 -0.691 -7.766 1.00 0.00 C ATOM 791 CG MET A 52 -6.528 -1.888 -8.545 1.00 0.00 C ATOM 792 SD MET A 52 -7.928 -1.501 -9.607 1.00 0.00 S ATOM 793 CE MET A 52 -8.171 -3.089 -10.409 1.00 0.00 C ATOM 0 H MET A 52 -5.487 -2.187 -5.796 1.00 0.00 H new ATOM 0 HA MET A 52 -4.000 -1.260 -8.030 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.710 -0.482 -6.945 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.025 0.186 -8.414 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.716 -2.285 -9.154 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.816 -2.674 -7.846 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.008 -3.021 -11.105 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.268 -3.364 -10.954 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.386 -3.848 -9.656 1.00 0.00 H new ATOM 803 N GLU A 53 -4.090 0.657 -5.425 1.00 0.00 N ATOM 804 CA GLU A 53 -3.437 1.802 -4.813 1.00 0.00 C ATOM 805 C GLU A 53 -1.945 1.601 -4.808 1.00 0.00 C ATOM 806 O GLU A 53 -1.201 2.524 -5.027 1.00 0.00 O ATOM 807 CB GLU A 53 -3.911 2.038 -3.381 1.00 0.00 C ATOM 808 CG GLU A 53 -5.323 2.556 -3.265 1.00 0.00 C ATOM 809 CD GLU A 53 -5.528 3.851 -4.016 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.131 4.937 -3.512 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.084 3.809 -5.128 1.00 0.00 O ATOM 0 H GLU A 53 -4.614 0.075 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.701 2.677 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.835 1.102 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.237 2.748 -2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.015 1.805 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.566 2.707 -2.213 1.00 0.00 H new ATOM 818 N LEU A 54 -1.525 0.380 -4.566 1.00 0.00 N ATOM 819 CA LEU A 54 -0.127 0.025 -4.552 1.00 0.00 C ATOM 820 C LEU A 54 0.486 0.221 -5.923 1.00 0.00 C ATOM 821 O LEU A 54 1.560 0.781 -6.040 1.00 0.00 O ATOM 822 CB LEU A 54 0.046 -1.406 -4.098 1.00 0.00 C ATOM 823 CG LEU A 54 1.471 -1.853 -3.802 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.124 -0.937 -2.777 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.455 -3.264 -3.291 1.00 0.00 C ATOM 0 H LEU A 54 -2.152 -0.401 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 54 0.388 0.679 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.553 -1.554 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.365 -2.061 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 54 2.052 -1.803 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.141 -1.276 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.149 0.082 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.550 -0.960 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.475 -3.586 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.861 -3.314 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.018 -3.919 -4.045 1.00 0.00 H new ATOM 837 N ILE A 55 -0.218 -0.233 -6.952 1.00 0.00 N ATOM 838 CA ILE A 55 0.208 -0.038 -8.352 1.00 0.00 C ATOM 839 C ILE A 55 0.363 1.468 -8.615 1.00 0.00 C ATOM 840 O ILE A 55 1.364 1.900 -9.142 1.00 0.00 O ATOM 841 CB ILE A 55 -0.823 -0.659 -9.347 1.00 0.00 C ATOM 842 CG1 ILE A 55 -1.006 -2.162 -9.053 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.376 -0.447 -10.802 1.00 0.00 C ATOM 844 CD1 ILE A 55 -2.131 -2.834 -9.823 1.00 0.00 C ATOM 0 H ILE A 55 -1.095 -0.744 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 55 1.161 -0.544 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.780 -0.155 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.073 -2.677 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.190 -2.289 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.110 -0.888 -11.476 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.292 0.621 -11.005 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.592 -0.923 -10.958 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.181 -3.888 -9.549 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.077 -2.351 -9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.943 -2.746 -10.893 1.00 0.00 H new ATOM 856 N LYS A 56 -0.621 2.235 -8.175 1.00 0.00 N ATOM 857 CA LYS A 56 -0.612 3.706 -8.220 1.00 0.00 C ATOM 858 C LYS A 56 0.646 4.282 -7.541 1.00 0.00 C ATOM 859 O LYS A 56 1.352 5.099 -8.126 1.00 0.00 O ATOM 860 CB LYS A 56 -1.892 4.179 -7.523 1.00 0.00 C ATOM 861 CG LYS A 56 -1.937 5.607 -6.981 1.00 0.00 C ATOM 862 CD LYS A 56 -3.296 5.837 -6.331 1.00 0.00 C ATOM 863 CE LYS A 56 -3.393 7.163 -5.609 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.715 7.329 -4.972 1.00 0.00 N ATOM 0 H LYS A 56 -1.473 1.852 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.584 4.059 -9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.716 4.065 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.087 3.502 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.139 5.761 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.777 6.323 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.071 5.790 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.495 5.031 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.611 7.226 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.221 7.977 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.703 8.170 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.442 7.445 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.933 6.488 -4.400 1.00 0.00 H new ATOM 878 N LYS A 57 0.925 3.809 -6.333 1.00 0.00 N ATOM 879 CA LYS A 57 2.067 4.251 -5.545 1.00 0.00 C ATOM 880 C LYS A 57 3.381 3.911 -6.221 1.00 0.00 C ATOM 881 O LYS A 57 4.190 4.779 -6.503 1.00 0.00 O ATOM 882 CB LYS A 57 2.041 3.605 -4.149 1.00 0.00 C ATOM 883 CG LYS A 57 0.845 3.966 -3.278 1.00 0.00 C ATOM 884 CD LYS A 57 0.738 5.462 -3.027 1.00 0.00 C ATOM 885 CE LYS A 57 1.942 5.971 -2.226 1.00 0.00 C ATOM 886 NZ LYS A 57 1.872 7.418 -1.958 1.00 0.00 N ATOM 0 H LYS A 57 0.358 3.100 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 57 1.992 5.335 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.066 2.522 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.951 3.888 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.069 3.615 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.924 3.445 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.679 5.991 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.182 5.679 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.999 5.432 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.858 5.750 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.709 7.711 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.845 7.937 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.013 7.629 -1.411 1.00 0.00 H new ATOM 900 N VAL A 58 3.552 2.656 -6.498 1.00 0.00 N ATOM 901 CA VAL A 58 4.768 2.111 -7.049 1.00 0.00 C ATOM 902 C VAL A 58 5.061 2.601 -8.455 1.00 0.00 C ATOM 903 O VAL A 58 6.209 2.936 -8.766 1.00 0.00 O ATOM 904 CB VAL A 58 4.710 0.579 -6.962 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.878 -0.100 -7.668 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.669 0.199 -5.494 1.00 0.00 C ATOM 0 H VAL A 58 2.829 1.954 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 58 5.607 2.473 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 58 3.815 0.231 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.782 -1.182 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.873 0.173 -8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.815 0.223 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.627 -0.886 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.564 0.572 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.786 0.638 -5.029 1.00 0.00 H new ATOM 916 N SER A 59 4.036 2.730 -9.278 1.00 0.00 N ATOM 917 CA SER A 59 4.246 3.167 -10.646 1.00 0.00 C ATOM 918 C SER A 59 4.608 4.649 -10.685 1.00 0.00 C ATOM 919 O SER A 59 5.272 5.114 -11.610 1.00 0.00 O ATOM 920 CB SER A 59 3.027 2.883 -11.521 1.00 0.00 C ATOM 921 OG SER A 59 2.712 1.496 -11.504 1.00 0.00 O ATOM 0 H SER A 59 3.065 2.542 -9.029 1.00 0.00 H new ATOM 0 HA SER A 59 5.080 2.595 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.174 3.460 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.224 3.204 -12.544 1.00 0.00 H new ATOM 0 HG SER A 59 2.183 1.290 -10.705 1.00 0.00 H new ATOM 927 N ASN A 60 4.206 5.368 -9.658 1.00 0.00 N ATOM 928 CA ASN A 60 4.466 6.770 -9.562 1.00 0.00 C ATOM 929 C ASN A 60 5.811 7.029 -8.880 1.00 0.00 C ATOM 930 O ASN A 60 6.523 7.962 -9.228 1.00 0.00 O ATOM 931 CB ASN A 60 3.358 7.438 -8.742 1.00 0.00 C ATOM 932 CG ASN A 60 3.410 8.939 -8.793 1.00 0.00 C ATOM 933 OD1 ASN A 60 3.108 9.622 -7.808 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.694 9.456 -9.944 1.00 0.00 N ATOM 0 H ASN A 60 3.688 4.985 -8.868 1.00 0.00 H new ATOM 0 HA ASN A 60 4.495 7.184 -10.570 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.389 7.101 -9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.436 7.113 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.674 10.468 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.938 8.851 -10.729 1.00 0.00 H new ATOM 941 N ASN A 61 6.158 6.189 -7.933 1.00 0.00 N ATOM 942 CA ASN A 61 7.320 6.430 -7.100 1.00 0.00 C ATOM 943 C ASN A 61 8.555 5.566 -7.423 1.00 0.00 C ATOM 944 O ASN A 61 9.534 6.089 -7.945 1.00 0.00 O ATOM 945 CB ASN A 61 6.926 6.372 -5.610 1.00 0.00 C ATOM 946 CG ASN A 61 8.083 6.557 -4.638 1.00 0.00 C ATOM 947 OD1 ASN A 61 8.476 7.671 -4.328 1.00 0.00 O ATOM 948 ND2 ASN A 61 8.571 5.487 -4.087 1.00 0.00 N ATOM 0 H ASN A 61 5.653 5.330 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 61 7.657 7.438 -7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.179 7.142 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.452 5.411 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.300 5.566 -3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.226 4.568 -4.364 1.00 0.00 H new ATOM 955 N THR A 62 8.538 4.267 -7.127 1.00 0.00 N ATOM 956 CA THR A 62 9.753 3.450 -7.273 1.00 0.00 C ATOM 957 C THR A 62 9.433 1.985 -7.579 1.00 0.00 C ATOM 958 O THR A 62 8.516 1.426 -7.026 1.00 0.00 O ATOM 959 CB THR A 62 10.601 3.534 -5.961 1.00 0.00 C ATOM 960 OG1 THR A 62 10.974 4.893 -5.720 1.00 0.00 O ATOM 961 CG2 THR A 62 11.866 2.692 -6.023 1.00 0.00 C ATOM 0 H THR A 62 7.718 3.762 -6.791 1.00 0.00 H new ATOM 0 HA THR A 62 10.316 3.848 -8.117 1.00 0.00 H new ATOM 0 HB THR A 62 9.977 3.145 -5.156 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.504 4.946 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.414 2.789 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.600 1.647 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.492 3.036 -6.847 1.00 0.00 H new ATOM 969 N SER A 63 10.190 1.410 -8.483 1.00 0.00 N ATOM 970 CA SER A 63 10.094 0.023 -8.818 1.00 0.00 C ATOM 971 C SER A 63 11.122 -0.787 -8.003 1.00 0.00 C ATOM 972 O SER A 63 12.334 -0.776 -8.343 1.00 0.00 O ATOM 973 CB SER A 63 10.290 -0.126 -10.321 1.00 0.00 C ATOM 974 OG SER A 63 11.268 0.808 -10.794 1.00 0.00 O ATOM 975 OXT SER A 63 10.743 -1.408 -7.005 1.00 0.00 O ATOM 0 H SER A 63 10.903 1.911 -9.013 1.00 0.00 H new ATOM 0 HA SER A 63 9.111 -0.372 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.607 -1.143 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.343 0.038 -10.835 1.00 0.00 H new ATOM 0 HG SER A 63 11.384 0.699 -11.761 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.382 -1.479 0.180 1.00 0.00 CA HETATM 983 CA CA A 102 -8.395 -1.759 1.652 1.00 0.00 CA