USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0522 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc= 1.15 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 53:sc= 0.313 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00832 USER MOD Single : A 9 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.247) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -18:sc= 0.578 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.73) USER MOD Single : A 23 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.3) USER MOD Single : A 26 GLN : amide:sc= -2.67 K(o=-2.7,f=-8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 48:sc= -3.52 USER MOD Single : A 39 SER OG : rot 50:sc= 0.61 USER MOD Single : A 40 ASN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 1.2 F(o=-0.39,f=1.2) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 149:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= -1.7 K(o=-1.7,f=-6.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 67 SER OG : rot 43:sc= 0.335 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 52.975 26.676 6.211 1.00 0.00 N ATOM 2 CA GLY A 1 53.229 25.809 7.396 1.00 0.00 C ATOM 3 C GLY A 1 52.992 24.345 7.021 1.00 0.00 C ATOM 4 O GLY A 1 52.184 24.039 6.164 1.00 0.00 O ATOM 0 H1 GLY A 1 53.875 27.069 5.869 1.00 0.00 H new ATOM 0 H2 GLY A 1 52.535 26.112 5.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 52.337 27.453 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 54.253 25.944 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 52.571 26.096 8.217 1.00 0.00 H new ATOM 10 N SER A 2 53.692 23.441 7.657 1.00 0.00 N ATOM 11 CA SER A 2 53.514 21.991 7.344 1.00 0.00 C ATOM 12 C SER A 2 52.836 21.276 8.516 1.00 0.00 C ATOM 13 O SER A 2 53.468 20.948 9.502 1.00 0.00 O ATOM 14 CB SER A 2 54.930 21.455 7.136 1.00 0.00 C ATOM 15 OG SER A 2 55.655 21.561 8.355 1.00 0.00 O ATOM 0 H SER A 2 54.381 23.645 8.381 1.00 0.00 H new ATOM 0 HA SER A 2 52.885 21.831 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 54.894 20.416 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.433 22.018 6.350 1.00 0.00 H new ATOM 0 HG SER A 2 55.134 21.159 9.081 1.00 0.00 H new ATOM 21 N MET A 3 51.554 21.034 8.411 1.00 0.00 N ATOM 22 CA MET A 3 50.825 20.340 9.515 1.00 0.00 C ATOM 23 C MET A 3 50.978 18.823 9.378 1.00 0.00 C ATOM 24 O MET A 3 51.632 18.183 10.181 1.00 0.00 O ATOM 25 CB MET A 3 49.361 20.749 9.340 1.00 0.00 C ATOM 26 CG MET A 3 49.107 22.066 10.074 1.00 0.00 C ATOM 27 SD MET A 3 49.465 23.453 8.967 1.00 0.00 S ATOM 28 CE MET A 3 49.014 24.779 10.112 1.00 0.00 C ATOM 0 H MET A 3 50.980 21.288 7.607 1.00 0.00 H new ATOM 0 HA MET A 3 51.210 20.610 10.498 1.00 0.00 H new ATOM 0 HB2 MET A 3 49.128 20.860 8.281 1.00 0.00 H new ATOM 0 HB3 MET A 3 48.706 19.971 9.731 1.00 0.00 H new ATOM 0 HG2 MET A 3 48.071 22.113 10.410 1.00 0.00 H new ATOM 0 HG3 MET A 3 49.734 22.126 10.964 1.00 0.00 H new ATOM 0 HE1 MET A 3 49.160 25.744 9.627 1.00 0.00 H new ATOM 0 HE2 MET A 3 47.968 24.672 10.399 1.00 0.00 H new ATOM 0 HE3 MET A 3 49.642 24.721 11.001 1.00 0.00 H new ATOM 38 N SER A 4 50.381 18.248 8.366 1.00 0.00 N ATOM 39 CA SER A 4 50.486 16.771 8.168 1.00 0.00 C ATOM 40 C SER A 4 50.718 16.451 6.688 1.00 0.00 C ATOM 41 O SER A 4 50.254 15.447 6.182 1.00 0.00 O ATOM 42 CB SER A 4 49.142 16.213 8.632 1.00 0.00 C ATOM 43 OG SER A 4 49.243 15.817 9.994 1.00 0.00 O ATOM 0 H SER A 4 49.824 18.739 7.667 1.00 0.00 H new ATOM 0 HA SER A 4 51.320 16.338 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 4 48.363 16.967 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 4 48.856 15.362 8.014 1.00 0.00 H new ATOM 0 HG SER A 4 48.382 15.460 10.296 1.00 0.00 H new ATOM 49 N THR A 5 51.434 17.301 5.994 1.00 0.00 N ATOM 50 CA THR A 5 51.702 17.055 4.546 1.00 0.00 C ATOM 51 C THR A 5 53.057 17.646 4.150 1.00 0.00 C ATOM 52 O THR A 5 53.133 18.729 3.601 1.00 0.00 O ATOM 53 CB THR A 5 50.568 17.769 3.807 1.00 0.00 C ATOM 54 OG1 THR A 5 50.454 19.100 4.293 1.00 0.00 O ATOM 55 CG2 THR A 5 49.253 17.023 4.042 1.00 0.00 C ATOM 0 H THR A 5 51.845 18.156 6.370 1.00 0.00 H new ATOM 0 HA THR A 5 51.739 15.992 4.308 1.00 0.00 H new ATOM 0 HB THR A 5 50.785 17.788 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 5 51.328 19.541 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 5 48.446 17.533 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 5 49.342 16.003 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 5 49.033 17.002 5.109 1.00 0.00 H new ATOM 63 N SER A 6 54.124 16.940 4.423 1.00 0.00 N ATOM 64 CA SER A 6 55.481 17.453 4.066 1.00 0.00 C ATOM 65 C SER A 6 56.111 16.569 2.987 1.00 0.00 C ATOM 66 O SER A 6 56.802 17.045 2.107 1.00 0.00 O ATOM 67 CB SER A 6 56.288 17.377 5.361 1.00 0.00 C ATOM 68 OG SER A 6 56.145 16.082 5.928 1.00 0.00 O ATOM 0 H SER A 6 54.114 16.028 4.879 1.00 0.00 H new ATOM 0 HA SER A 6 55.448 18.467 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 6 57.339 17.585 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.942 18.135 6.064 1.00 0.00 H new ATOM 0 HG SER A 6 56.663 16.029 6.758 1.00 0.00 H new ATOM 74 N GLU A 7 55.872 15.286 3.054 1.00 0.00 N ATOM 75 CA GLU A 7 56.450 14.355 2.038 1.00 0.00 C ATOM 76 C GLU A 7 55.486 13.194 1.779 1.00 0.00 C ATOM 77 O GLU A 7 55.068 12.508 2.693 1.00 0.00 O ATOM 78 CB GLU A 7 57.749 13.843 2.663 1.00 0.00 C ATOM 79 CG GLU A 7 58.869 14.857 2.420 1.00 0.00 C ATOM 80 CD GLU A 7 59.170 14.940 0.921 1.00 0.00 C ATOM 81 OE1 GLU A 7 59.935 14.117 0.445 1.00 0.00 O ATOM 82 OE2 GLU A 7 58.629 15.823 0.277 1.00 0.00 O ATOM 0 H GLU A 7 55.299 14.840 3.771 1.00 0.00 H new ATOM 0 HA GLU A 7 56.624 14.845 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 7 57.613 13.686 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 7 58.017 12.879 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 7 58.575 15.836 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 7 59.765 14.562 2.965 1.00 0.00 H new ATOM 89 N LEU A 8 55.133 12.971 0.538 1.00 0.00 N ATOM 90 CA LEU A 8 54.196 11.856 0.209 1.00 0.00 C ATOM 91 C LEU A 8 54.393 11.410 -1.243 1.00 0.00 C ATOM 92 O LEU A 8 54.048 12.119 -2.170 1.00 0.00 O ATOM 93 CB LEU A 8 52.798 12.442 0.405 1.00 0.00 C ATOM 94 CG LEU A 8 51.786 11.307 0.560 1.00 0.00 C ATOM 95 CD1 LEU A 8 51.923 10.686 1.952 1.00 0.00 C ATOM 96 CD2 LEU A 8 50.370 11.861 0.388 1.00 0.00 C ATOM 0 H LEU A 8 55.455 13.515 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 8 54.362 10.979 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 8 52.781 13.082 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 52.531 13.067 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 8 51.975 10.546 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 8 51.201 9.877 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 8 52.932 10.292 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 8 51.734 11.446 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.647 11.053 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 8 50.182 12.622 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 8 50.271 12.304 -0.603 1.00 0.00 H new ATOM 108 N LYS A 9 54.944 10.240 -1.443 1.00 0.00 N ATOM 109 CA LYS A 9 55.166 9.737 -2.833 1.00 0.00 C ATOM 110 C LYS A 9 55.015 8.213 -2.877 1.00 0.00 C ATOM 111 O LYS A 9 54.887 7.565 -1.855 1.00 0.00 O ATOM 112 CB LYS A 9 56.599 10.152 -3.188 1.00 0.00 C ATOM 113 CG LYS A 9 57.586 9.548 -2.182 1.00 0.00 C ATOM 114 CD LYS A 9 58.961 10.197 -2.362 1.00 0.00 C ATOM 115 CE LYS A 9 59.799 9.362 -3.334 1.00 0.00 C ATOM 116 NZ LYS A 9 59.675 10.059 -4.644 1.00 0.00 N ATOM 0 H LYS A 9 55.251 9.610 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 9 54.442 10.145 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.844 9.817 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.683 11.239 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 9 57.228 9.707 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 9 57.659 8.471 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 9 58.848 11.212 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 9 59.468 10.272 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 9 60.839 9.307 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 9 59.430 8.338 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.615 9.355 -5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 58.816 10.645 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 60.507 10.664 -4.795 1.00 0.00 H new ATOM 130 N LYS A 10 55.029 7.642 -4.054 1.00 0.00 N ATOM 131 CA LYS A 10 54.887 6.159 -4.175 1.00 0.00 C ATOM 132 C LYS A 10 56.183 5.467 -3.743 1.00 0.00 C ATOM 133 O LYS A 10 57.135 6.111 -3.347 1.00 0.00 O ATOM 134 CB LYS A 10 54.609 5.902 -5.659 1.00 0.00 C ATOM 135 CG LYS A 10 53.183 6.352 -6.007 1.00 0.00 C ATOM 136 CD LYS A 10 53.201 7.168 -7.303 1.00 0.00 C ATOM 137 CE LYS A 10 53.472 8.638 -6.976 1.00 0.00 C ATOM 138 NZ LYS A 10 52.981 9.393 -8.162 1.00 0.00 N ATOM 0 H LYS A 10 55.133 8.139 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 10 54.091 5.769 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.330 6.442 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.730 4.842 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.535 5.483 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.772 6.951 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.969 6.786 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.247 7.069 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 10 52.950 8.944 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.534 8.816 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.133 10.411 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.501 9.086 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 51.966 9.210 -8.294 1.00 0.00 H new ATOM 152 N VAL A 11 56.223 4.160 -3.821 1.00 0.00 N ATOM 153 CA VAL A 11 57.458 3.411 -3.421 1.00 0.00 C ATOM 154 C VAL A 11 57.514 2.072 -4.150 1.00 0.00 C ATOM 155 O VAL A 11 56.514 1.578 -4.632 1.00 0.00 O ATOM 156 CB VAL A 11 57.370 3.185 -1.905 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.632 4.504 -1.181 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.988 2.642 -1.522 1.00 0.00 C ATOM 0 H VAL A 11 55.452 3.576 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 11 58.357 3.970 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 11 58.121 2.452 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.570 4.347 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.627 4.869 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.887 5.239 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.944 2.488 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.221 3.358 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.816 1.694 -2.032 1.00 0.00 H new ATOM 168 N VAL A 12 58.677 1.487 -4.234 1.00 0.00 N ATOM 169 CA VAL A 12 58.818 0.181 -4.934 1.00 0.00 C ATOM 170 C VAL A 12 58.763 -0.958 -3.893 1.00 0.00 C ATOM 171 O VAL A 12 58.716 -0.717 -2.703 1.00 0.00 O ATOM 172 CB VAL A 12 60.196 0.305 -5.643 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.023 -0.988 -5.582 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.976 0.673 -7.108 1.00 0.00 C ATOM 0 H VAL A 12 59.542 1.862 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 12 58.030 -0.048 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 12 60.755 1.078 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.973 -0.837 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.210 -1.252 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.474 -1.795 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.940 0.761 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.384 -0.103 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.447 1.624 -7.169 1.00 0.00 H new ATOM 184 N ALA A 13 58.784 -2.189 -4.340 1.00 0.00 N ATOM 185 CA ALA A 13 58.751 -3.341 -3.388 1.00 0.00 C ATOM 186 C ALA A 13 60.045 -4.151 -3.509 1.00 0.00 C ATOM 187 O ALA A 13 60.554 -4.360 -4.594 1.00 0.00 O ATOM 188 CB ALA A 13 57.550 -4.183 -3.818 1.00 0.00 C ATOM 0 H ALA A 13 58.823 -2.446 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 13 58.666 -3.019 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.460 -5.050 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.642 -3.583 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.689 -4.517 -4.846 1.00 0.00 H new ATOM 194 N LEU A 14 60.583 -4.601 -2.403 1.00 0.00 N ATOM 195 CA LEU A 14 61.853 -5.390 -2.451 1.00 0.00 C ATOM 196 C LEU A 14 61.561 -6.888 -2.585 1.00 0.00 C ATOM 197 O LEU A 14 61.788 -7.480 -3.623 1.00 0.00 O ATOM 198 CB LEU A 14 62.552 -5.100 -1.122 1.00 0.00 C ATOM 199 CG LEU A 14 63.086 -3.668 -1.131 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.616 -3.313 0.260 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.221 -3.553 -2.151 1.00 0.00 C ATOM 0 H LEU A 14 60.198 -4.456 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 14 62.467 -5.115 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.855 -5.235 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.370 -5.804 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 14 62.282 -2.983 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.997 -2.292 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.809 -3.395 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.419 -3.999 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.602 -2.532 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.024 -4.238 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.846 -3.807 -3.143 1.00 0.00 H new ATOM 213 N TYR A 15 61.074 -7.500 -1.539 1.00 0.00 N ATOM 214 CA TYR A 15 60.782 -8.967 -1.593 1.00 0.00 C ATOM 215 C TYR A 15 59.280 -9.231 -1.445 1.00 0.00 C ATOM 216 O TYR A 15 58.498 -8.328 -1.219 1.00 0.00 O ATOM 217 CB TYR A 15 61.545 -9.566 -0.411 1.00 0.00 C ATOM 218 CG TYR A 15 63.027 -9.344 -0.601 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.621 -8.159 -0.151 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.806 -10.324 -1.228 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.994 -7.954 -0.328 1.00 0.00 C ATOM 222 CE2 TYR A 15 65.180 -10.119 -1.404 1.00 0.00 C ATOM 223 CZ TYR A 15 65.773 -8.934 -0.954 1.00 0.00 C ATOM 224 OH TYR A 15 67.128 -8.731 -1.128 1.00 0.00 O ATOM 0 H TYR A 15 60.865 -7.050 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 15 61.083 -9.404 -2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 15 61.214 -9.105 0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.334 -10.632 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.020 -7.403 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.347 -11.238 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.453 -7.040 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.782 -10.875 -1.887 1.00 0.00 H new ATOM 0 HH TYR A 15 67.520 -9.508 -1.578 1.00 0.00 H new ATOM 234 N ASP A 16 58.881 -10.471 -1.577 1.00 0.00 N ATOM 235 CA ASP A 16 57.431 -10.822 -1.452 1.00 0.00 C ATOM 236 C ASP A 16 56.941 -10.592 -0.019 1.00 0.00 C ATOM 237 O ASP A 16 57.703 -10.661 0.927 1.00 0.00 O ATOM 238 CB ASP A 16 57.343 -12.306 -1.815 1.00 0.00 C ATOM 239 CG ASP A 16 57.370 -12.463 -3.336 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.466 -11.956 -3.981 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.294 -13.087 -3.831 1.00 0.00 O ATOM 0 H ASP A 16 59.499 -11.260 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 16 56.808 -10.205 -2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.175 -12.850 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.427 -12.736 -1.411 1.00 0.00 H new ATOM 246 N TYR A 17 55.670 -10.318 0.141 1.00 0.00 N ATOM 247 CA TYR A 17 55.109 -10.079 1.503 1.00 0.00 C ATOM 248 C TYR A 17 53.575 -10.113 1.420 1.00 0.00 C ATOM 249 O TYR A 17 52.919 -9.088 1.405 1.00 0.00 O ATOM 250 CB TYR A 17 55.649 -8.688 1.890 1.00 0.00 C ATOM 251 CG TYR A 17 54.878 -8.098 3.053 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.632 -8.861 4.200 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.409 -6.783 2.972 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.917 -8.305 5.267 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.693 -6.228 4.036 1.00 0.00 C ATOM 256 CZ TYR A 17 53.446 -6.989 5.186 1.00 0.00 C ATOM 257 OH TYR A 17 52.741 -6.442 6.240 1.00 0.00 O ATOM 0 H TYR A 17 54.994 -10.250 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 17 55.391 -10.826 2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.704 -8.766 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.584 -8.019 1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.993 -9.877 4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.600 -6.196 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.728 -8.892 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.330 -5.213 3.972 1.00 0.00 H new ATOM 0 HH TYR A 17 52.412 -7.159 6.821 1.00 0.00 H new ATOM 267 N MET A 18 53.007 -11.291 1.353 1.00 0.00 N ATOM 268 CA MET A 18 51.523 -11.415 1.257 1.00 0.00 C ATOM 269 C MET A 18 50.877 -11.376 2.655 1.00 0.00 C ATOM 270 O MET A 18 51.547 -11.606 3.642 1.00 0.00 O ATOM 271 CB MET A 18 51.283 -12.771 0.593 1.00 0.00 C ATOM 272 CG MET A 18 51.636 -12.684 -0.893 1.00 0.00 C ATOM 273 SD MET A 18 51.891 -14.349 -1.552 1.00 0.00 S ATOM 274 CE MET A 18 50.345 -14.464 -2.485 1.00 0.00 C ATOM 0 H MET A 18 53.512 -12.177 1.361 1.00 0.00 H new ATOM 0 HA MET A 18 51.082 -10.595 0.691 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.889 -13.537 1.077 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.241 -13.067 0.713 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.836 -12.184 -1.439 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.537 -12.086 -1.029 1.00 0.00 H new ATOM 0 HE1 MET A 18 50.292 -15.432 -2.983 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.500 -14.359 -1.804 1.00 0.00 H new ATOM 0 HE3 MET A 18 50.310 -13.670 -3.231 1.00 0.00 H new ATOM 284 N PRO A 19 49.587 -11.079 2.703 1.00 0.00 N ATOM 285 CA PRO A 19 48.871 -11.008 4.002 1.00 0.00 C ATOM 286 C PRO A 19 48.793 -12.377 4.676 1.00 0.00 C ATOM 287 O PRO A 19 48.247 -13.323 4.140 1.00 0.00 O ATOM 288 CB PRO A 19 47.478 -10.513 3.593 1.00 0.00 C ATOM 289 CG PRO A 19 47.448 -10.320 2.065 1.00 0.00 C ATOM 290 CD PRO A 19 48.779 -10.794 1.484 1.00 0.00 C ATOM 0 HA PRO A 19 49.366 -10.364 4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.718 -11.232 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.248 -9.574 4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.623 -10.884 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.281 -9.271 1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.656 -11.681 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.243 -10.030 0.860 1.00 0.00 H new ATOM 298 N MET A 20 49.326 -12.471 5.864 1.00 0.00 N ATOM 299 CA MET A 20 49.285 -13.756 6.620 1.00 0.00 C ATOM 300 C MET A 20 48.275 -13.628 7.761 1.00 0.00 C ATOM 301 O MET A 20 47.643 -14.587 8.159 1.00 0.00 O ATOM 302 CB MET A 20 50.698 -13.952 7.181 1.00 0.00 C ATOM 303 CG MET A 20 51.723 -13.896 6.045 1.00 0.00 C ATOM 304 SD MET A 20 53.105 -15.009 6.411 1.00 0.00 S ATOM 305 CE MET A 20 54.143 -14.553 5.000 1.00 0.00 C ATOM 0 H MET A 20 49.793 -11.704 6.348 1.00 0.00 H new ATOM 0 HA MET A 20 48.987 -14.599 5.996 1.00 0.00 H new ATOM 0 HB2 MET A 20 50.916 -13.179 7.918 1.00 0.00 H new ATOM 0 HB3 MET A 20 50.765 -14.911 7.695 1.00 0.00 H new ATOM 0 HG2 MET A 20 51.253 -14.182 5.104 1.00 0.00 H new ATOM 0 HG3 MET A 20 52.088 -12.876 5.922 1.00 0.00 H new ATOM 0 HE1 MET A 20 55.067 -15.130 5.027 1.00 0.00 H new ATOM 0 HE2 MET A 20 53.610 -14.764 4.073 1.00 0.00 H new ATOM 0 HE3 MET A 20 54.378 -13.490 5.050 1.00 0.00 H new ATOM 315 N ASN A 21 48.127 -12.437 8.286 1.00 0.00 N ATOM 316 CA ASN A 21 47.163 -12.216 9.403 1.00 0.00 C ATOM 317 C ASN A 21 46.162 -11.116 9.033 1.00 0.00 C ATOM 318 O ASN A 21 45.781 -10.309 9.860 1.00 0.00 O ATOM 319 CB ASN A 21 48.024 -11.782 10.589 1.00 0.00 C ATOM 320 CG ASN A 21 47.364 -12.232 11.894 1.00 0.00 C ATOM 321 OD1 ASN A 21 46.880 -13.342 11.991 1.00 0.00 O ATOM 322 ND2 ASN A 21 47.324 -11.411 12.907 1.00 0.00 N ATOM 0 H ASN A 21 48.636 -11.606 7.986 1.00 0.00 H new ATOM 0 HA ASN A 21 46.581 -13.110 9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 21 49.021 -12.215 10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 21 48.146 -10.699 10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 21 46.886 -11.701 13.781 1.00 0.00 H new ATOM 0 HD22 ASN A 21 47.731 -10.479 12.825 1.00 0.00 H new ATOM 329 N ALA A 22 45.733 -11.080 7.793 1.00 0.00 N ATOM 330 CA ALA A 22 44.751 -10.036 7.346 1.00 0.00 C ATOM 331 C ALA A 22 45.247 -8.626 7.699 1.00 0.00 C ATOM 332 O ALA A 22 44.749 -7.995 8.612 1.00 0.00 O ATOM 333 CB ALA A 22 43.452 -10.353 8.094 1.00 0.00 C ATOM 0 H ALA A 22 46.022 -11.733 7.065 1.00 0.00 H new ATOM 0 HA ALA A 22 44.613 -10.053 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 42.686 -9.629 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 22 43.116 -11.356 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 22 43.629 -10.300 9.168 1.00 0.00 H new ATOM 339 N ASN A 23 46.220 -8.134 6.976 1.00 0.00 N ATOM 340 CA ASN A 23 46.759 -6.767 7.252 1.00 0.00 C ATOM 341 C ASN A 23 47.638 -6.281 6.116 1.00 0.00 C ATOM 342 O ASN A 23 47.494 -5.179 5.623 1.00 0.00 O ATOM 343 CB ASN A 23 47.633 -6.909 8.489 1.00 0.00 C ATOM 344 CG ASN A 23 46.816 -6.611 9.747 1.00 0.00 C ATOM 345 OD1 ASN A 23 46.125 -5.615 9.815 1.00 0.00 O ATOM 346 ND2 ASN A 23 46.869 -7.439 10.754 1.00 0.00 N ATOM 0 H ASN A 23 46.668 -8.623 6.201 1.00 0.00 H new ATOM 0 HA ASN A 23 45.940 -6.058 7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 23 48.041 -7.918 8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 23 48.480 -6.226 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 23 46.330 -7.250 11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 23 47.450 -8.276 10.696 1.00 0.00 H new ATOM 353 N ASP A 24 48.592 -7.089 5.745 1.00 0.00 N ATOM 354 CA ASP A 24 49.559 -6.689 4.682 1.00 0.00 C ATOM 355 C ASP A 24 48.841 -6.131 3.448 1.00 0.00 C ATOM 356 O ASP A 24 47.662 -6.356 3.246 1.00 0.00 O ATOM 357 CB ASP A 24 50.339 -7.955 4.305 1.00 0.00 C ATOM 358 CG ASP A 24 50.955 -8.618 5.549 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.869 -8.037 6.622 1.00 0.00 O ATOM 360 OD2 ASP A 24 51.505 -9.698 5.406 1.00 0.00 O ATOM 0 H ASP A 24 48.745 -8.018 6.136 1.00 0.00 H new ATOM 0 HA ASP A 24 50.217 -5.900 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 24 49.674 -8.660 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 24 51.127 -7.702 3.596 1.00 0.00 H new ATOM 365 N LEU A 25 49.551 -5.399 2.635 1.00 0.00 N ATOM 366 CA LEU A 25 48.935 -4.806 1.416 1.00 0.00 C ATOM 367 C LEU A 25 49.286 -5.652 0.184 1.00 0.00 C ATOM 368 O LEU A 25 49.310 -5.172 -0.931 1.00 0.00 O ATOM 369 CB LEU A 25 49.561 -3.396 1.349 1.00 0.00 C ATOM 370 CG LEU A 25 48.866 -2.446 0.338 1.00 0.00 C ATOM 371 CD1 LEU A 25 49.610 -2.480 -0.997 1.00 0.00 C ATOM 372 CD2 LEU A 25 47.384 -2.802 0.110 1.00 0.00 C ATOM 0 H LEU A 25 50.540 -5.185 2.765 1.00 0.00 H new ATOM 0 HA LEU A 25 47.846 -4.768 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.524 -2.945 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.613 -3.489 1.081 1.00 0.00 H new ATOM 0 HG LEU A 25 48.897 -1.444 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 25 49.119 -1.812 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.640 -2.157 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 25 49.602 -3.496 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 25 46.948 -2.105 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.310 -3.817 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 25 46.844 -2.736 1.055 1.00 0.00 H new ATOM 384 N GLN A 26 49.556 -6.922 0.384 1.00 0.00 N ATOM 385 CA GLN A 26 49.909 -7.829 -0.761 1.00 0.00 C ATOM 386 C GLN A 26 51.021 -7.212 -1.610 1.00 0.00 C ATOM 387 O GLN A 26 50.782 -6.701 -2.689 1.00 0.00 O ATOM 388 CB GLN A 26 48.621 -7.971 -1.575 1.00 0.00 C ATOM 389 CG GLN A 26 48.691 -9.243 -2.423 1.00 0.00 C ATOM 390 CD GLN A 26 48.072 -10.408 -1.649 1.00 0.00 C ATOM 391 OE1 GLN A 26 48.748 -11.366 -1.329 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.807 -10.367 -1.333 1.00 0.00 N ATOM 0 H GLN A 26 49.547 -7.374 1.298 1.00 0.00 H new ATOM 0 HA GLN A 26 50.278 -8.795 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.760 -8.013 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.486 -7.100 -2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.161 -9.095 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.727 -9.469 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.240 -9.563 -1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.385 -11.139 -0.817 1.00 0.00 H new ATOM 401 N LEU A 27 52.230 -7.250 -1.121 1.00 0.00 N ATOM 402 CA LEU A 27 53.367 -6.661 -1.877 1.00 0.00 C ATOM 403 C LEU A 27 54.052 -7.732 -2.731 1.00 0.00 C ATOM 404 O LEU A 27 53.540 -8.821 -2.907 1.00 0.00 O ATOM 405 CB LEU A 27 54.305 -6.126 -0.795 1.00 0.00 C ATOM 406 CG LEU A 27 53.702 -4.858 -0.191 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.671 -5.240 0.881 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.817 -4.015 0.437 1.00 0.00 C ATOM 0 H LEU A 27 52.479 -7.667 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 27 53.056 -5.878 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.452 -6.878 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.285 -5.910 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 27 53.208 -4.279 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.241 -4.335 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.880 -5.838 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.159 -5.819 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.390 -3.110 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.312 -4.591 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.543 -3.744 -0.329 1.00 0.00 H new ATOM 420 N ARG A 28 55.201 -7.421 -3.270 1.00 0.00 N ATOM 421 CA ARG A 28 55.934 -8.397 -4.128 1.00 0.00 C ATOM 422 C ARG A 28 57.340 -7.873 -4.416 1.00 0.00 C ATOM 423 O ARG A 28 57.848 -7.021 -3.713 1.00 0.00 O ATOM 424 CB ARG A 28 55.119 -8.481 -5.422 1.00 0.00 C ATOM 425 CG ARG A 28 55.160 -9.912 -5.959 1.00 0.00 C ATOM 426 CD ARG A 28 55.083 -9.887 -7.487 1.00 0.00 C ATOM 427 NE ARG A 28 55.206 -11.312 -7.902 1.00 0.00 N ATOM 428 CZ ARG A 28 54.731 -11.699 -9.054 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.447 -11.880 -9.204 1.00 0.00 N ATOM 430 NH2 ARG A 28 55.539 -11.907 -10.057 1.00 0.00 N ATOM 0 H ARG A 28 55.668 -6.522 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 28 56.041 -9.372 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.088 -8.181 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.522 -7.791 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 28 56.078 -10.406 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.329 -10.488 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.141 -9.456 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 28 55.883 -9.281 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 28 55.661 -11.985 -7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.814 -11.719 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 28 53.076 -12.183 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 28 56.543 -11.767 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 28 55.167 -12.210 -10.957 1.00 0.00 H new ATOM 444 N LYS A 29 57.967 -8.373 -5.448 1.00 0.00 N ATOM 445 CA LYS A 29 59.335 -7.907 -5.792 1.00 0.00 C ATOM 446 C LYS A 29 59.323 -7.199 -7.148 1.00 0.00 C ATOM 447 O LYS A 29 58.943 -7.767 -8.154 1.00 0.00 O ATOM 448 CB LYS A 29 60.191 -9.175 -5.834 1.00 0.00 C ATOM 449 CG LYS A 29 61.640 -8.809 -6.168 1.00 0.00 C ATOM 450 CD LYS A 29 62.589 -9.770 -5.450 1.00 0.00 C ATOM 451 CE LYS A 29 62.520 -11.149 -6.112 1.00 0.00 C ATOM 452 NZ LYS A 29 63.916 -11.665 -6.072 1.00 0.00 N ATOM 0 H LYS A 29 57.585 -9.087 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 29 59.725 -7.189 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.147 -9.687 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.799 -9.866 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.800 -8.860 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.846 -7.783 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.609 -9.387 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.317 -9.847 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.839 -11.810 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 29 62.155 -11.077 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.950 -12.608 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.540 -11.019 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.234 -11.729 -5.084 1.00 0.00 H new ATOM 466 N GLY A 30 59.729 -5.954 -7.173 1.00 0.00 N ATOM 467 CA GLY A 30 59.737 -5.188 -8.452 1.00 0.00 C ATOM 468 C GLY A 30 58.451 -4.365 -8.568 1.00 0.00 C ATOM 469 O GLY A 30 58.398 -3.390 -9.295 1.00 0.00 O ATOM 0 H GLY A 30 60.056 -5.435 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.606 -4.530 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.820 -5.872 -9.296 1.00 0.00 H new ATOM 473 N ASP A 31 57.413 -4.745 -7.857 1.00 0.00 N ATOM 474 CA ASP A 31 56.135 -3.980 -7.927 1.00 0.00 C ATOM 475 C ASP A 31 56.222 -2.740 -7.038 1.00 0.00 C ATOM 476 O ASP A 31 56.926 -2.731 -6.049 1.00 0.00 O ATOM 477 CB ASP A 31 55.064 -4.941 -7.409 1.00 0.00 C ATOM 478 CG ASP A 31 54.785 -6.013 -8.463 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.733 -6.465 -9.085 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.629 -6.364 -8.631 1.00 0.00 O ATOM 0 H ASP A 31 57.401 -5.552 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 31 55.912 -3.636 -8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.397 -5.407 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.149 -4.394 -7.181 1.00 0.00 H new ATOM 485 N GLU A 32 55.517 -1.692 -7.381 1.00 0.00 N ATOM 486 CA GLU A 32 55.567 -0.447 -6.545 1.00 0.00 C ATOM 487 C GLU A 32 54.155 -0.116 -6.056 1.00 0.00 C ATOM 488 O GLU A 32 53.180 -0.620 -6.583 1.00 0.00 O ATOM 489 CB GLU A 32 56.116 0.675 -7.449 1.00 0.00 C ATOM 490 CG GLU A 32 57.242 0.159 -8.360 1.00 0.00 C ATOM 491 CD GLU A 32 56.638 -0.396 -9.652 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.158 0.395 -10.446 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.666 -1.603 -9.824 1.00 0.00 O ATOM 0 H GLU A 32 54.910 -1.641 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 32 56.205 -0.568 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.309 1.081 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.490 1.492 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.938 0.966 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.811 -0.618 -7.849 1.00 0.00 H new ATOM 500 N TYR A 33 54.032 0.687 -5.025 1.00 0.00 N ATOM 501 CA TYR A 33 52.679 0.998 -4.478 1.00 0.00 C ATOM 502 C TYR A 33 52.463 2.503 -4.320 1.00 0.00 C ATOM 503 O TYR A 33 53.240 3.319 -4.780 1.00 0.00 O ATOM 504 CB TYR A 33 52.650 0.340 -3.093 1.00 0.00 C ATOM 505 CG TYR A 33 53.219 -1.059 -3.155 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.636 -2.011 -3.995 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.340 -1.390 -2.389 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.172 -3.298 -4.067 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.881 -2.675 -2.463 1.00 0.00 C ATOM 510 CZ TYR A 33 54.296 -3.629 -3.303 1.00 0.00 C ATOM 511 OH TYR A 33 54.832 -4.892 -3.385 1.00 0.00 O ATOM 0 H TYR A 33 54.809 1.138 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 33 51.899 0.635 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.224 0.941 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.625 0.305 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.772 -1.752 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.788 -0.652 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.720 -4.037 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.749 -2.932 -1.873 1.00 0.00 H new ATOM 0 HH TYR A 33 54.933 -5.144 -4.327 1.00 0.00 H new ATOM 521 N PHE A 34 51.401 2.857 -3.646 1.00 0.00 N ATOM 522 CA PHE A 34 51.082 4.293 -3.405 1.00 0.00 C ATOM 523 C PHE A 34 51.015 4.560 -1.905 1.00 0.00 C ATOM 524 O PHE A 34 50.213 3.980 -1.202 1.00 0.00 O ATOM 525 CB PHE A 34 49.712 4.510 -4.024 1.00 0.00 C ATOM 526 CG PHE A 34 49.864 4.951 -5.459 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.143 4.007 -6.455 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.726 6.303 -5.795 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.285 4.417 -7.786 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.867 6.712 -7.126 1.00 0.00 C ATOM 531 CZ PHE A 34 50.147 5.769 -8.122 1.00 0.00 C ATOM 0 H PHE A 34 50.731 2.200 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 34 51.834 4.957 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.131 3.589 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.162 5.263 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.249 2.964 -6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.511 7.031 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.501 3.690 -8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.760 7.755 -7.385 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.257 6.084 -9.149 1.00 0.00 H new ATOM 541 N ILE A 35 51.851 5.433 -1.418 1.00 0.00 N ATOM 542 CA ILE A 35 51.861 5.737 0.045 1.00 0.00 C ATOM 543 C ILE A 35 50.787 6.756 0.412 1.00 0.00 C ATOM 544 O ILE A 35 50.526 7.697 -0.312 1.00 0.00 O ATOM 545 CB ILE A 35 53.259 6.299 0.332 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.335 5.287 -0.092 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.403 6.585 1.829 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.094 3.942 0.601 1.00 0.00 C ATOM 0 H ILE A 35 52.532 5.953 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 35 51.646 4.847 0.636 1.00 0.00 H new ATOM 0 HB ILE A 35 53.388 7.221 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.316 5.156 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.324 5.666 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.397 6.984 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.652 7.313 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.263 5.662 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.862 3.232 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.136 4.077 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.113 3.559 0.321 1.00 0.00 H new ATOM 560 N LEU A 36 50.175 6.568 1.551 1.00 0.00 N ATOM 561 CA LEU A 36 49.120 7.511 2.009 1.00 0.00 C ATOM 562 C LEU A 36 49.544 8.181 3.318 1.00 0.00 C ATOM 563 O LEU A 36 49.150 9.297 3.601 1.00 0.00 O ATOM 564 CB LEU A 36 47.876 6.648 2.221 1.00 0.00 C ATOM 565 CG LEU A 36 47.039 6.634 0.942 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.553 5.537 0.008 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.576 6.357 1.295 1.00 0.00 C ATOM 0 H LEU A 36 50.365 5.794 2.187 1.00 0.00 H new ATOM 0 HA LEU A 36 48.939 8.309 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.167 5.632 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.286 7.040 3.050 1.00 0.00 H new ATOM 0 HG LEU A 36 47.118 7.601 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.956 5.527 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.596 5.732 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.474 4.570 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 44.978 6.347 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.498 5.390 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.209 7.137 1.962 1.00 0.00 H new ATOM 579 N GLU A 37 50.340 7.511 4.126 1.00 0.00 N ATOM 580 CA GLU A 37 50.776 8.129 5.422 1.00 0.00 C ATOM 581 C GLU A 37 51.858 7.287 6.104 1.00 0.00 C ATOM 582 O GLU A 37 52.202 6.211 5.652 1.00 0.00 O ATOM 583 CB GLU A 37 49.514 8.171 6.294 1.00 0.00 C ATOM 584 CG GLU A 37 48.948 6.757 6.469 1.00 0.00 C ATOM 585 CD GLU A 37 47.767 6.795 7.441 1.00 0.00 C ATOM 586 OE1 GLU A 37 46.970 7.714 7.338 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.680 5.906 8.272 1.00 0.00 O ATOM 0 H GLU A 37 50.702 6.575 3.946 1.00 0.00 H new ATOM 0 HA GLU A 37 51.206 9.118 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.750 8.600 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 37 48.766 8.816 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.627 6.361 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.722 6.089 6.847 1.00 0.00 H new ATOM 594 N GLU A 38 52.376 7.769 7.207 1.00 0.00 N ATOM 595 CA GLU A 38 53.413 7.010 7.955 1.00 0.00 C ATOM 596 C GLU A 38 52.773 6.415 9.206 1.00 0.00 C ATOM 597 O GLU A 38 53.080 6.798 10.318 1.00 0.00 O ATOM 598 CB GLU A 38 54.497 8.035 8.320 1.00 0.00 C ATOM 599 CG GLU A 38 53.890 9.183 9.142 1.00 0.00 C ATOM 600 CD GLU A 38 54.812 9.525 10.315 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.738 8.838 11.320 1.00 0.00 O ATOM 602 OE2 GLU A 38 55.576 10.467 10.187 1.00 0.00 O ATOM 0 H GLU A 38 52.119 8.665 7.621 1.00 0.00 H new ATOM 0 HA GLU A 38 53.841 6.190 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.289 7.550 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 38 54.954 8.430 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 38 53.750 10.060 8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.906 8.896 9.513 1.00 0.00 H new ATOM 609 N SER A 39 51.865 5.487 9.017 1.00 0.00 N ATOM 610 CA SER A 39 51.147 4.836 10.167 1.00 0.00 C ATOM 611 C SER A 39 52.115 4.483 11.306 1.00 0.00 C ATOM 612 O SER A 39 52.185 5.171 12.308 1.00 0.00 O ATOM 613 CB SER A 39 50.544 3.562 9.565 1.00 0.00 C ATOM 614 OG SER A 39 49.139 3.726 9.423 1.00 0.00 O ATOM 0 H SER A 39 51.584 5.145 8.098 1.00 0.00 H new ATOM 0 HA SER A 39 50.397 5.496 10.604 1.00 0.00 H new ATOM 0 HB2 SER A 39 50.997 3.355 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 39 50.758 2.707 10.206 1.00 0.00 H new ATOM 0 HG SER A 39 48.953 4.577 8.974 1.00 0.00 H new ATOM 620 N ASN A 40 52.864 3.429 11.144 1.00 0.00 N ATOM 621 CA ASN A 40 53.838 3.029 12.187 1.00 0.00 C ATOM 622 C ASN A 40 55.225 2.964 11.554 1.00 0.00 C ATOM 623 O ASN A 40 55.778 1.900 11.403 1.00 0.00 O ATOM 624 CB ASN A 40 53.378 1.646 12.656 1.00 0.00 C ATOM 625 CG ASN A 40 53.777 1.445 14.119 1.00 0.00 C ATOM 626 OD1 ASN A 40 52.930 1.368 14.986 1.00 0.00 O ATOM 627 ND2 ASN A 40 55.041 1.355 14.431 1.00 0.00 N ATOM 0 H ASN A 40 52.840 2.824 10.323 1.00 0.00 H new ATOM 0 HA ASN A 40 53.888 3.726 13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.297 1.554 12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.828 0.871 12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 40 55.318 1.220 15.403 1.00 0.00 H new ATOM 0 HD22 ASN A 40 55.752 1.420 13.702 1.00 0.00 H new ATOM 634 N LEU A 41 55.750 4.121 11.173 1.00 0.00 N ATOM 635 CA LEU A 41 57.100 4.267 10.518 1.00 0.00 C ATOM 636 C LEU A 41 57.656 2.953 9.891 1.00 0.00 C ATOM 637 O LEU A 41 57.556 2.806 8.688 1.00 0.00 O ATOM 638 CB LEU A 41 57.992 4.855 11.609 1.00 0.00 C ATOM 639 CG LEU A 41 57.912 6.383 11.579 1.00 0.00 C ATOM 640 CD1 LEU A 41 58.337 6.944 12.936 1.00 0.00 C ATOM 641 CD2 LEU A 41 58.846 6.920 10.491 1.00 0.00 C ATOM 0 H LEU A 41 55.267 5.011 11.299 1.00 0.00 H new ATOM 0 HA LEU A 41 57.047 4.916 9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.679 4.485 12.585 1.00 0.00 H new ATOM 0 HB3 LEU A 41 59.023 4.533 11.461 1.00 0.00 H new ATOM 0 HG LEU A 41 56.888 6.689 11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 41 58.280 8.032 12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 57.674 6.561 13.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 59.361 6.639 13.151 1.00 0.00 H new ATOM 0 HD21 LEU A 41 58.790 8.008 10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 41 59.870 6.614 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.544 6.521 9.523 1.00 0.00 H new ATOM 653 N PRO A 42 58.209 2.011 10.671 1.00 0.00 N ATOM 654 CA PRO A 42 58.714 0.746 10.058 1.00 0.00 C ATOM 655 C PRO A 42 57.641 0.109 9.157 1.00 0.00 C ATOM 656 O PRO A 42 57.947 -0.587 8.214 1.00 0.00 O ATOM 657 CB PRO A 42 59.014 -0.127 11.282 1.00 0.00 C ATOM 658 CG PRO A 42 58.682 0.675 12.553 1.00 0.00 C ATOM 659 CD PRO A 42 58.370 2.121 12.148 1.00 0.00 C ATOM 0 HA PRO A 42 59.582 0.887 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.423 -1.042 11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.063 -0.425 11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.829 0.233 13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.522 0.649 13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.465 2.491 12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.177 2.802 12.419 1.00 0.00 H new ATOM 667 N TRP A 43 56.390 0.372 9.442 1.00 0.00 N ATOM 668 CA TRP A 43 55.275 -0.171 8.617 1.00 0.00 C ATOM 669 C TRP A 43 54.425 1.006 8.120 1.00 0.00 C ATOM 670 O TRP A 43 54.467 2.076 8.695 1.00 0.00 O ATOM 671 CB TRP A 43 54.482 -1.043 9.581 1.00 0.00 C ATOM 672 CG TRP A 43 55.301 -2.218 9.990 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.063 -2.253 11.092 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.451 -3.516 9.341 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.681 -3.487 11.178 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.334 -4.303 10.120 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.916 -4.084 8.171 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.673 -5.604 9.751 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.256 -5.394 7.797 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.132 -6.153 8.586 1.00 0.00 C ATOM 0 H TRP A 43 56.092 0.951 10.227 1.00 0.00 H new ATOM 0 HA TRP A 43 55.605 -0.736 7.745 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.197 -0.464 10.459 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.559 -1.379 9.107 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.176 -1.446 11.800 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.314 -3.760 11.929 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.239 -3.509 7.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.349 -6.184 10.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.840 -5.820 6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.388 -7.161 8.293 1.00 0.00 H new ATOM 691 N TRP A 44 53.674 0.837 7.053 1.00 0.00 N ATOM 692 CA TRP A 44 52.859 1.981 6.535 1.00 0.00 C ATOM 693 C TRP A 44 51.428 1.568 6.204 1.00 0.00 C ATOM 694 O TRP A 44 51.006 0.455 6.444 1.00 0.00 O ATOM 695 CB TRP A 44 53.553 2.383 5.234 1.00 0.00 C ATOM 696 CG TRP A 44 54.605 3.430 5.443 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.878 4.103 6.590 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.520 3.940 4.446 1.00 0.00 C ATOM 699 NE1 TRP A 44 55.921 4.983 6.349 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.348 4.919 5.037 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.703 3.636 3.093 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.334 5.577 4.298 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.685 4.291 2.345 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.503 5.263 2.944 1.00 0.00 C ATOM 0 H TRP A 44 53.592 -0.033 6.526 1.00 0.00 H new ATOM 0 HA TRP A 44 52.797 2.776 7.279 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.007 1.502 4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.809 2.756 4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.367 3.974 7.533 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.324 5.601 7.053 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.080 2.889 2.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 57.960 6.321 4.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.816 4.048 1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.260 5.767 2.362 1.00 0.00 H new ATOM 715 N ARG A 45 50.702 2.476 5.604 1.00 0.00 N ATOM 716 CA ARG A 45 49.311 2.190 5.175 1.00 0.00 C ATOM 717 C ARG A 45 49.180 2.680 3.732 1.00 0.00 C ATOM 718 O ARG A 45 48.548 3.679 3.454 1.00 0.00 O ATOM 719 CB ARG A 45 48.416 2.997 6.117 1.00 0.00 C ATOM 720 CG ARG A 45 46.949 2.774 5.746 1.00 0.00 C ATOM 721 CD ARG A 45 46.150 4.049 6.024 1.00 0.00 C ATOM 722 NE ARG A 45 44.723 3.625 5.978 1.00 0.00 N ATOM 723 CZ ARG A 45 43.872 4.100 6.847 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.867 5.376 7.124 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.028 3.300 7.438 1.00 0.00 N ATOM 0 H ARG A 45 51.026 3.420 5.392 1.00 0.00 H new ATOM 0 HA ARG A 45 49.040 1.135 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.591 2.694 7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.662 4.057 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.867 2.503 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.540 1.944 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.405 4.471 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.358 4.816 5.278 1.00 0.00 H new ATOM 0 HE ARG A 45 44.410 2.963 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.527 6.001 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.203 5.748 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.033 2.303 7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.363 3.671 8.117 1.00 0.00 H new ATOM 739 N ALA A 46 49.820 1.994 2.824 1.00 0.00 N ATOM 740 CA ALA A 46 49.806 2.409 1.389 1.00 0.00 C ATOM 741 C ALA A 46 48.854 1.520 0.587 1.00 0.00 C ATOM 742 O ALA A 46 48.253 0.610 1.126 1.00 0.00 O ATOM 743 CB ALA A 46 51.263 2.218 0.927 1.00 0.00 C ATOM 0 H ALA A 46 50.360 1.151 3.018 1.00 0.00 H new ATOM 0 HA ALA A 46 49.459 3.433 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.352 2.499 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.921 2.846 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.549 1.173 1.048 1.00 0.00 H new ATOM 749 N ARG A 47 48.709 1.774 -0.692 1.00 0.00 N ATOM 750 CA ARG A 47 47.795 0.931 -1.521 1.00 0.00 C ATOM 751 C ARG A 47 48.528 0.429 -2.762 1.00 0.00 C ATOM 752 O ARG A 47 49.548 0.962 -3.147 1.00 0.00 O ATOM 753 CB ARG A 47 46.645 1.846 -1.930 1.00 0.00 C ATOM 754 CG ARG A 47 45.800 2.190 -0.705 1.00 0.00 C ATOM 755 CD ARG A 47 45.276 3.623 -0.829 1.00 0.00 C ATOM 756 NE ARG A 47 43.918 3.485 -1.421 1.00 0.00 N ATOM 757 CZ ARG A 47 42.932 4.214 -0.971 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.278 3.840 0.093 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.603 5.317 -1.586 1.00 0.00 N ATOM 0 H ARG A 47 49.182 2.525 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 47 47.442 0.059 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.036 2.758 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.028 1.356 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.966 1.493 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.397 2.087 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.235 4.114 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.924 4.227 -1.464 1.00 0.00 H new ATOM 0 HE ARG A 47 43.757 2.821 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.536 2.978 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.508 4.409 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.116 5.610 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.833 5.887 -1.235 1.00 0.00 H new ATOM 773 N ASP A 48 48.009 -0.589 -3.394 1.00 0.00 N ATOM 774 CA ASP A 48 48.669 -1.130 -4.615 1.00 0.00 C ATOM 775 C ASP A 48 48.085 -0.470 -5.871 1.00 0.00 C ATOM 776 O ASP A 48 47.521 0.607 -5.808 1.00 0.00 O ATOM 777 CB ASP A 48 48.373 -2.635 -4.589 1.00 0.00 C ATOM 778 CG ASP A 48 46.859 -2.896 -4.671 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.096 -1.980 -4.405 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.492 -4.012 -4.999 1.00 0.00 O ATOM 0 H ASP A 48 47.154 -1.070 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 48 49.741 -0.932 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 48 48.876 -3.124 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 48 48.773 -3.073 -3.675 1.00 0.00 H new ATOM 785 N LYS A 49 48.218 -1.109 -7.006 1.00 0.00 N ATOM 786 CA LYS A 49 47.674 -0.523 -8.268 1.00 0.00 C ATOM 787 C LYS A 49 46.268 -1.071 -8.552 1.00 0.00 C ATOM 788 O LYS A 49 45.816 -1.079 -9.682 1.00 0.00 O ATOM 789 CB LYS A 49 48.654 -0.961 -9.363 1.00 0.00 C ATOM 790 CG LYS A 49 48.985 0.231 -10.267 1.00 0.00 C ATOM 791 CD LYS A 49 47.736 0.640 -11.049 1.00 0.00 C ATOM 792 CE LYS A 49 47.399 -0.442 -12.076 1.00 0.00 C ATOM 793 NZ LYS A 49 46.390 0.182 -12.977 1.00 0.00 N ATOM 0 H LYS A 49 48.680 -2.012 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 49 47.582 0.562 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.566 -1.353 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.218 -1.767 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.342 1.068 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 49 49.788 -0.033 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 49 46.898 0.783 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 49 47.904 1.593 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.286 -0.750 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 49 46.999 -1.334 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 46.109 -0.501 -13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 45.554 0.459 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.801 1.024 -13.428 1.00 0.00 H new ATOM 807 N ASN A 50 45.576 -1.525 -7.536 1.00 0.00 N ATOM 808 CA ASN A 50 44.207 -2.068 -7.738 1.00 0.00 C ATOM 809 C ASN A 50 43.169 -1.163 -7.065 1.00 0.00 C ATOM 810 O ASN A 50 42.022 -1.116 -7.470 1.00 0.00 O ATOM 811 CB ASN A 50 44.226 -3.448 -7.078 1.00 0.00 C ATOM 812 CG ASN A 50 45.107 -4.393 -7.896 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.836 -4.588 -9.158 1.00 0.00 O flip ATOM 814 ND2 ASN A 50 46.050 -4.961 -7.382 1.00 0.00 N flip ATOM 0 H ASN A 50 45.907 -1.541 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 50 43.939 -2.124 -8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.606 -3.370 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.213 -3.845 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.261 -4.808 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.630 -5.590 -7.937 1.00 0.00 H new ATOM 821 N GLY A 51 43.564 -0.447 -6.043 1.00 0.00 N ATOM 822 CA GLY A 51 42.607 0.456 -5.337 1.00 0.00 C ATOM 823 C GLY A 51 42.347 -0.073 -3.925 1.00 0.00 C ATOM 824 O GLY A 51 41.286 0.132 -3.365 1.00 0.00 O ATOM 0 H GLY A 51 44.512 -0.449 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.013 1.466 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.671 0.515 -5.892 1.00 0.00 H new ATOM 828 N GLN A 52 43.307 -0.750 -3.348 1.00 0.00 N ATOM 829 CA GLN A 52 43.125 -1.298 -1.973 1.00 0.00 C ATOM 830 C GLN A 52 44.281 -0.858 -1.069 1.00 0.00 C ATOM 831 O GLN A 52 45.402 -0.700 -1.516 1.00 0.00 O ATOM 832 CB GLN A 52 43.132 -2.815 -2.152 1.00 0.00 C ATOM 833 CG GLN A 52 41.704 -3.310 -2.388 1.00 0.00 C ATOM 834 CD GLN A 52 41.713 -4.830 -2.560 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.584 -5.375 -3.207 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.772 -5.543 -2.002 1.00 0.00 N ATOM 0 H GLN A 52 44.213 -0.947 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 52 42.206 -0.945 -1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.767 -3.089 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.552 -3.294 -1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.068 -3.032 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.285 -2.835 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.040 -5.086 -1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.769 -6.557 -2.110 1.00 0.00 H new ATOM 845 N GLU A 53 44.013 -0.664 0.196 1.00 0.00 N ATOM 846 CA GLU A 53 45.090 -0.237 1.141 1.00 0.00 C ATOM 847 C GLU A 53 45.448 -1.382 2.090 1.00 0.00 C ATOM 848 O GLU A 53 44.645 -2.262 2.341 1.00 0.00 O ATOM 849 CB GLU A 53 44.505 0.951 1.917 1.00 0.00 C ATOM 850 CG GLU A 53 43.215 0.533 2.632 1.00 0.00 C ATOM 851 CD GLU A 53 43.096 1.291 3.956 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.713 0.863 4.918 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.389 2.285 3.985 1.00 0.00 O ATOM 0 H GLU A 53 43.092 -0.783 0.618 1.00 0.00 H new ATOM 0 HA GLU A 53 46.007 0.038 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.232 1.313 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.300 1.775 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.352 0.745 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.220 -0.541 2.815 1.00 0.00 H new ATOM 860 N GLY A 54 46.647 -1.377 2.614 1.00 0.00 N ATOM 861 CA GLY A 54 47.065 -2.464 3.546 1.00 0.00 C ATOM 862 C GLY A 54 48.323 -2.015 4.275 1.00 0.00 C ATOM 863 O GLY A 54 48.521 -0.837 4.490 1.00 0.00 O ATOM 0 H GLY A 54 47.355 -0.665 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.269 -2.678 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.255 -3.385 2.994 1.00 0.00 H new ATOM 867 N TYR A 55 49.180 -2.932 4.646 1.00 0.00 N ATOM 868 CA TYR A 55 50.428 -2.526 5.354 1.00 0.00 C ATOM 869 C TYR A 55 51.662 -2.771 4.477 1.00 0.00 C ATOM 870 O TYR A 55 51.695 -3.678 3.668 1.00 0.00 O ATOM 871 CB TYR A 55 50.486 -3.382 6.631 1.00 0.00 C ATOM 872 CG TYR A 55 49.399 -3.005 7.640 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.629 -1.829 7.505 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.171 -3.853 8.731 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.648 -1.520 8.454 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.188 -3.539 9.677 1.00 0.00 C ATOM 877 CZ TYR A 55 47.427 -2.375 9.539 1.00 0.00 C ATOM 878 OH TYR A 55 46.458 -2.068 10.473 1.00 0.00 O ATOM 0 H TYR A 55 49.070 -3.934 4.491 1.00 0.00 H new ATOM 0 HA TYR A 55 50.422 -1.461 5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.381 -4.434 6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.465 -3.268 7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 55 48.797 -1.167 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 55 49.756 -4.754 8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 55 47.061 -0.620 8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 55 48.017 -4.198 10.516 1.00 0.00 H new ATOM 0 HH TYR A 55 46.433 -2.766 11.160 1.00 0.00 H new ATOM 888 N ILE A 56 52.670 -1.952 4.638 1.00 0.00 N ATOM 889 CA ILE A 56 53.918 -2.094 3.824 1.00 0.00 C ATOM 890 C ILE A 56 55.146 -1.696 4.683 1.00 0.00 C ATOM 891 O ILE A 56 55.309 -0.527 4.974 1.00 0.00 O ATOM 892 CB ILE A 56 53.720 -1.095 2.666 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.706 -1.668 1.663 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.048 -0.822 1.941 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.371 -0.950 1.826 1.00 0.00 C ATOM 0 H ILE A 56 52.683 -1.182 5.306 1.00 0.00 H new ATOM 0 HA ILE A 56 54.091 -3.111 3.471 1.00 0.00 H new ATOM 0 HB ILE A 56 53.350 -0.157 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 56 53.076 -1.545 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.579 -2.738 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.880 -0.114 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.767 -0.403 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.439 -1.755 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.651 -1.355 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.001 -1.096 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.506 0.115 1.639 1.00 0.00 H new ATOM 907 N PRO A 57 55.995 -2.648 5.050 1.00 0.00 N ATOM 908 CA PRO A 57 57.199 -2.299 5.847 1.00 0.00 C ATOM 909 C PRO A 57 58.051 -1.266 5.093 1.00 0.00 C ATOM 910 O PRO A 57 58.492 -1.505 3.984 1.00 0.00 O ATOM 911 CB PRO A 57 57.929 -3.641 5.970 1.00 0.00 C ATOM 912 CG PRO A 57 57.107 -4.718 5.237 1.00 0.00 C ATOM 913 CD PRO A 57 55.815 -4.084 4.715 1.00 0.00 C ATOM 0 HA PRO A 57 56.974 -1.851 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.928 -3.569 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.053 -3.909 7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.683 -5.135 4.411 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.877 -5.542 5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.694 -4.237 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.934 -4.505 5.199 1.00 0.00 H new ATOM 921 N SER A 58 58.269 -0.113 5.679 1.00 0.00 N ATOM 922 CA SER A 58 59.073 0.959 4.998 1.00 0.00 C ATOM 923 C SER A 58 60.400 0.410 4.455 1.00 0.00 C ATOM 924 O SER A 58 60.862 0.819 3.407 1.00 0.00 O ATOM 925 CB SER A 58 59.337 2.005 6.082 1.00 0.00 C ATOM 926 OG SER A 58 58.181 2.818 6.240 1.00 0.00 O ATOM 0 H SER A 58 57.923 0.136 6.606 1.00 0.00 H new ATOM 0 HA SER A 58 58.540 1.370 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.583 1.515 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.194 2.620 5.809 1.00 0.00 H new ATOM 0 HG SER A 58 58.117 3.119 7.170 1.00 0.00 H new ATOM 932 N ASN A 59 61.012 -0.503 5.162 1.00 0.00 N ATOM 933 CA ASN A 59 62.312 -1.073 4.691 1.00 0.00 C ATOM 934 C ASN A 59 62.085 -1.968 3.469 1.00 0.00 C ATOM 935 O ASN A 59 62.857 -1.970 2.529 1.00 0.00 O ATOM 936 CB ASN A 59 62.848 -1.875 5.890 1.00 0.00 C ATOM 937 CG ASN A 59 62.015 -3.142 6.133 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.862 -3.062 6.509 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.556 -4.313 5.933 1.00 0.00 N ATOM 0 H ASN A 59 60.669 -0.880 6.046 1.00 0.00 H new ATOM 0 HA ASN A 59 63.020 -0.306 4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.887 -2.150 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.833 -1.251 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.011 -5.160 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.524 -4.381 5.617 1.00 0.00 H new ATOM 946 N TYR A 60 61.029 -2.729 3.497 1.00 0.00 N ATOM 947 CA TYR A 60 60.723 -3.649 2.358 1.00 0.00 C ATOM 948 C TYR A 60 60.479 -2.865 1.062 1.00 0.00 C ATOM 949 O TYR A 60 60.572 -3.412 -0.020 1.00 0.00 O ATOM 950 CB TYR A 60 59.450 -4.394 2.774 1.00 0.00 C ATOM 951 CG TYR A 60 59.810 -5.767 3.294 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.167 -5.937 4.637 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.785 -6.870 2.432 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.500 -7.209 5.118 1.00 0.00 C ATOM 955 CE2 TYR A 60 60.118 -8.142 2.912 1.00 0.00 C ATOM 956 CZ TYR A 60 60.476 -8.312 4.255 1.00 0.00 C ATOM 957 OH TYR A 60 60.803 -9.565 4.729 1.00 0.00 O ATOM 0 H TYR A 60 60.357 -2.756 4.264 1.00 0.00 H new ATOM 0 HA TYR A 60 61.554 -4.326 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.922 -3.830 3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.774 -4.482 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.186 -5.086 5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.509 -6.739 1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.775 -7.340 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 60 60.099 -8.992 2.246 1.00 0.00 H new ATOM 0 HH TYR A 60 60.735 -10.218 4.001 1.00 0.00 H new ATOM 967 N VAL A 61 60.163 -1.594 1.155 1.00 0.00 N ATOM 968 CA VAL A 61 59.913 -0.796 -0.086 1.00 0.00 C ATOM 969 C VAL A 61 60.895 0.371 -0.197 1.00 0.00 C ATOM 970 O VAL A 61 61.514 0.776 0.768 1.00 0.00 O ATOM 971 CB VAL A 61 58.480 -0.266 0.036 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.501 -1.441 0.052 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.329 0.541 1.331 1.00 0.00 C ATOM 0 H VAL A 61 60.068 -1.079 2.030 1.00 0.00 H new ATOM 0 HA VAL A 61 60.047 -1.409 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 61 58.264 0.379 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.482 -1.064 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.600 -2.010 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.722 -2.087 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.308 0.914 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.549 -0.098 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.023 1.382 1.319 1.00 0.00 H new ATOM 983 N THR A 62 61.022 0.916 -1.377 1.00 0.00 N ATOM 984 CA THR A 62 61.942 2.070 -1.591 1.00 0.00 C ATOM 985 C THR A 62 61.213 3.141 -2.426 1.00 0.00 C ATOM 986 O THR A 62 60.064 3.437 -2.166 1.00 0.00 O ATOM 987 CB THR A 62 63.158 1.477 -2.322 1.00 0.00 C ATOM 988 OG1 THR A 62 64.111 2.505 -2.555 1.00 0.00 O ATOM 989 CG2 THR A 62 62.725 0.873 -3.660 1.00 0.00 C ATOM 0 H THR A 62 60.522 0.607 -2.211 1.00 0.00 H new ATOM 0 HA THR A 62 62.257 2.560 -0.670 1.00 0.00 H new ATOM 0 HB THR A 62 63.600 0.694 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.889 2.131 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.594 0.456 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.994 0.084 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.278 1.649 -4.282 1.00 0.00 H new ATOM 997 N GLU A 63 61.849 3.727 -3.416 1.00 0.00 N ATOM 998 CA GLU A 63 61.158 4.766 -4.237 1.00 0.00 C ATOM 999 C GLU A 63 60.390 4.110 -5.387 1.00 0.00 C ATOM 1000 O GLU A 63 60.844 3.154 -5.984 1.00 0.00 O ATOM 1001 CB GLU A 63 62.275 5.663 -4.774 1.00 0.00 C ATOM 1002 CG GLU A 63 62.817 6.536 -3.641 1.00 0.00 C ATOM 1003 CD GLU A 63 63.537 7.750 -4.233 1.00 0.00 C ATOM 1004 OE1 GLU A 63 62.856 8.682 -4.630 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.755 7.727 -4.278 1.00 0.00 O ATOM 0 H GLU A 63 62.812 3.529 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 63 60.431 5.332 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.076 5.054 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.896 6.290 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.001 6.862 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.503 5.960 -3.020 1.00 0.00 H new ATOM 1012 N ALA A 64 59.220 4.618 -5.695 1.00 0.00 N ATOM 1013 CA ALA A 64 58.398 4.028 -6.801 1.00 0.00 C ATOM 1014 C ALA A 64 59.211 3.940 -8.099 1.00 0.00 C ATOM 1015 O ALA A 64 58.956 3.101 -8.944 1.00 0.00 O ATOM 1016 CB ALA A 64 57.218 4.986 -6.976 1.00 0.00 C ATOM 0 H ALA A 64 58.797 5.419 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 64 58.074 3.014 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.568 4.621 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.655 5.044 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.589 5.977 -7.237 1.00 0.00 H new ATOM 1022 N GLU A 65 60.184 4.799 -8.259 1.00 0.00 N ATOM 1023 CA GLU A 65 61.019 4.774 -9.497 1.00 0.00 C ATOM 1024 C GLU A 65 62.399 4.183 -9.192 1.00 0.00 C ATOM 1025 O GLU A 65 63.315 4.891 -8.817 1.00 0.00 O ATOM 1026 CB GLU A 65 61.144 6.237 -9.922 1.00 0.00 C ATOM 1027 CG GLU A 65 59.788 6.741 -10.421 1.00 0.00 C ATOM 1028 CD GLU A 65 59.679 8.246 -10.171 1.00 0.00 C ATOM 1029 OE1 GLU A 65 60.598 8.957 -10.545 1.00 0.00 O ATOM 1030 OE2 GLU A 65 58.680 8.663 -9.609 1.00 0.00 O ATOM 0 H GLU A 65 60.437 5.520 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 65 60.576 4.159 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.482 6.843 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 65 61.892 6.336 -10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.679 6.530 -11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.982 6.217 -9.907 1.00 0.00 H new ATOM 1037 N ASP A 66 62.549 2.893 -9.350 1.00 0.00 N ATOM 1038 CA ASP A 66 63.870 2.247 -9.071 1.00 0.00 C ATOM 1039 C ASP A 66 64.884 2.622 -10.158 1.00 0.00 C ATOM 1040 O ASP A 66 64.543 2.750 -11.318 1.00 0.00 O ATOM 1041 CB ASP A 66 63.595 0.737 -9.080 1.00 0.00 C ATOM 1042 CG ASP A 66 63.014 0.316 -10.435 1.00 0.00 C ATOM 1043 OD1 ASP A 66 63.793 0.039 -11.331 1.00 0.00 O ATOM 1044 OD2 ASP A 66 61.801 0.280 -10.551 1.00 0.00 O ATOM 0 H ASP A 66 61.814 2.257 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 66 64.292 2.572 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 66 64.518 0.190 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.898 0.481 -8.282 1.00 0.00 H new ATOM 1049 N SER A 67 66.126 2.797 -9.785 1.00 0.00 N ATOM 1050 CA SER A 67 67.170 3.163 -10.787 1.00 0.00 C ATOM 1051 C SER A 67 68.560 2.788 -10.265 1.00 0.00 C ATOM 1052 O SER A 67 68.952 3.327 -9.243 1.00 0.00 O ATOM 1053 CB SER A 67 67.050 4.677 -10.948 1.00 0.00 C ATOM 1054 OG SER A 67 66.924 5.278 -9.666 1.00 0.00 O ATOM 1055 OXT SER A 67 69.208 1.969 -10.896 1.00 0.00 O ATOM 0 H SER A 67 66.462 2.702 -8.827 1.00 0.00 H new ATOM 0 HA SER A 67 67.035 2.640 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 67 67.927 5.070 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 67 66.184 4.921 -11.563 1.00 0.00 H new ATOM 0 HG SER A 67 67.550 4.854 -9.043 1.00 0.00 H new TER 1061 SER A 67