USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 689 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.04 K(o=-1,f=-6.1!) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0244 (180deg=-0.394) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc=-0.000612 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 MET CE :methyl 150:sc= -0.135 (180deg=-0.579) USER MOD Single : A 34 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 37 ASN : amide:sc= -0.542 K(o=-0.54,f=-1.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.59 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.82) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -2 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -3.48! C(o=-3.5!,f=-5.1!) USER MOD Single : A 66 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-3.2!) USER MOD Single : A 73 LYS NZ :NH3+ -113:sc= -0.199 (180deg=-0.756) USER MOD Single : A 77 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-2.1!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.6!) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.451 2.785 7.458 1.00 1.00 N ATOM 2 CA MET A 1 -14.703 2.081 8.748 1.00 1.00 C ATOM 3 C MET A 1 -15.479 0.799 8.465 1.00 1.00 C ATOM 4 O MET A 1 -16.678 0.839 8.190 1.00 1.00 O ATOM 5 CB MET A 1 -15.508 3.008 9.681 1.00 1.00 C ATOM 6 CG MET A 1 -15.497 2.475 11.127 1.00 1.00 C ATOM 7 SD MET A 1 -16.586 1.031 11.262 1.00 1.00 S ATOM 8 CE MET A 1 -18.120 1.912 11.652 1.00 1.00 C ATOM 0 H1 MET A 1 -13.922 3.662 7.639 1.00 1.00 H new ATOM 0 H2 MET A 1 -13.897 2.169 6.829 1.00 1.00 H new ATOM 0 H3 MET A 1 -15.358 3.015 7.005 1.00 1.00 H new ATOM 0 HA MET A 1 -13.761 1.827 9.235 1.00 1.00 H new ATOM 0 HB2 MET A 1 -15.085 4.012 9.656 1.00 1.00 H new ATOM 0 HB3 MET A 1 -16.535 3.086 9.325 1.00 1.00 H new ATOM 0 HG2 MET A 1 -14.482 2.204 11.416 1.00 1.00 H new ATOM 0 HG3 MET A 1 -15.826 3.255 11.814 1.00 1.00 H new ATOM 0 HE1 MET A 1 -18.930 1.194 11.777 1.00 1.00 H new ATOM 0 HE2 MET A 1 -17.990 2.477 12.575 1.00 1.00 H new ATOM 0 HE3 MET A 1 -18.364 2.596 10.839 1.00 1.00 H new ATOM 20 N ASN A 2 -14.788 -0.338 8.521 1.00 1.00 N ATOM 21 CA ASN A 2 -15.431 -1.621 8.252 1.00 1.00 C ATOM 22 C ASN A 2 -14.561 -2.781 8.739 1.00 1.00 C ATOM 23 O ASN A 2 -14.854 -3.384 9.772 1.00 1.00 O ATOM 24 CB ASN A 2 -15.687 -1.745 6.750 1.00 1.00 C ATOM 25 CG ASN A 2 -16.496 -3.000 6.450 1.00 1.00 C ATOM 26 OD1 ASN A 2 -16.423 -3.980 7.192 1.00 1.00 O ATOM 27 ND2 ASN A 2 -17.269 -3.025 5.401 1.00 1.00 N ATOM 0 H ASN A 2 -13.795 -0.397 8.747 1.00 1.00 H new ATOM 0 HA ASN A 2 -16.377 -1.665 8.791 1.00 1.00 H new ATOM 0 HB2 ASN A 2 -16.222 -0.866 6.392 1.00 1.00 H new ATOM 0 HB3 ASN A 2 -14.738 -1.780 6.215 1.00 1.00 H new ATOM 0 HD21 ASN A 2 -17.817 -3.859 5.191 1.00 1.00 H new ATOM 0 HD22 ASN A 2 -17.326 -2.210 4.790 1.00 1.00 H new ATOM 34 N GLU A 3 -13.508 -3.090 7.981 1.00 1.00 N ATOM 35 CA GLU A 3 -12.595 -4.184 8.331 1.00 1.00 C ATOM 36 C GLU A 3 -13.352 -5.511 8.388 1.00 1.00 C ATOM 37 O GLU A 3 -13.342 -6.201 9.408 1.00 1.00 O ATOM 38 CB GLU A 3 -11.913 -3.902 9.679 1.00 1.00 C ATOM 39 CG GLU A 3 -11.059 -2.637 9.561 1.00 1.00 C ATOM 40 CD GLU A 3 -10.449 -2.276 10.913 1.00 1.00 C ATOM 41 OE1 GLU A 3 -10.675 -3.009 11.862 1.00 1.00 O ATOM 42 OE2 GLU A 3 -9.765 -1.269 10.980 1.00 1.00 O ATOM 0 H GLU A 3 -13.265 -2.599 7.120 1.00 1.00 H new ATOM 0 HA GLU A 3 -11.827 -4.254 7.561 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -12.663 -3.776 10.460 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -11.291 -4.749 9.969 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -10.267 -2.793 8.828 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -11.671 -1.811 9.199 1.00 1.00 H new ATOM 49 N ALA A 4 -14.012 -5.853 7.282 1.00 1.00 N ATOM 50 CA ALA A 4 -14.785 -7.091 7.206 1.00 1.00 C ATOM 51 C ALA A 4 -13.881 -8.322 7.269 1.00 1.00 C ATOM 52 O ALA A 4 -13.987 -9.121 8.200 1.00 1.00 O ATOM 53 CB ALA A 4 -15.599 -7.118 5.911 1.00 1.00 C ATOM 0 H ALA A 4 -14.027 -5.293 6.430 1.00 1.00 H new ATOM 0 HA ALA A 4 -15.456 -7.118 8.065 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -16.173 -8.044 5.861 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -16.280 -6.267 5.892 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -14.925 -7.062 5.056 1.00 1.00 H new ATOM 59 N LYS A 5 -12.997 -8.484 6.268 1.00 1.00 N ATOM 60 CA LYS A 5 -12.081 -9.643 6.214 1.00 1.00 C ATOM 61 C LYS A 5 -10.616 -9.198 6.246 1.00 1.00 C ATOM 62 O LYS A 5 -9.805 -9.795 6.957 1.00 1.00 O ATOM 63 CB LYS A 5 -12.339 -10.449 4.932 1.00 1.00 C ATOM 64 CG LYS A 5 -13.740 -11.068 4.981 1.00 1.00 C ATOM 65 CD LYS A 5 -13.984 -11.887 3.708 1.00 1.00 C ATOM 66 CE LYS A 5 -15.419 -12.422 3.696 1.00 1.00 C ATOM 67 NZ LYS A 5 -15.641 -13.306 4.876 1.00 1.00 N ATOM 0 H LYS A 5 -12.896 -7.833 5.489 1.00 1.00 H new ATOM 0 HA LYS A 5 -12.272 -10.263 7.090 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -12.248 -9.801 4.060 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -11.589 -11.233 4.827 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -13.837 -11.705 5.860 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -14.492 -10.284 5.071 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -13.811 -11.267 2.828 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -13.278 -12.716 3.658 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -16.126 -11.592 3.714 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -15.602 -12.977 2.776 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -16.500 -13.873 4.728 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -14.824 -13.939 4.994 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -15.754 -12.723 5.730 1.00 1.00 H new ATOM 81 N GLY A 6 -10.274 -8.155 5.472 1.00 1.00 N ATOM 82 CA GLY A 6 -8.890 -7.646 5.413 1.00 1.00 C ATOM 83 C GLY A 6 -8.799 -6.215 5.933 1.00 1.00 C ATOM 84 O GLY A 6 -8.990 -5.962 7.122 1.00 1.00 O ATOM 0 H GLY A 6 -10.932 -7.648 4.880 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -8.238 -8.291 6.003 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -8.530 -7.684 4.385 1.00 1.00 H new ATOM 88 N VAL A 7 -8.492 -5.277 5.029 1.00 1.00 N ATOM 89 CA VAL A 7 -8.360 -3.859 5.391 1.00 1.00 C ATOM 90 C VAL A 7 -9.030 -2.978 4.341 1.00 1.00 C ATOM 91 O VAL A 7 -9.240 -3.403 3.206 1.00 1.00 O ATOM 92 CB VAL A 7 -6.873 -3.501 5.510 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.713 -2.085 6.082 1.00 1.00 C ATOM 94 CG2 VAL A 7 -6.189 -4.513 6.437 1.00 1.00 C ATOM 0 H VAL A 7 -8.330 -5.474 4.041 1.00 1.00 H new ATOM 0 HA VAL A 7 -8.852 -3.687 6.348 1.00 1.00 H new ATOM 0 HB VAL A 7 -6.413 -3.533 4.522 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.653 -1.842 6.162 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -7.201 -1.368 5.421 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -7.171 -2.038 7.070 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -5.131 -4.266 6.528 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -6.655 -4.478 7.422 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -6.294 -5.515 6.022 1.00 1.00 H new ATOM 104 N TYR A 8 -9.369 -1.748 4.733 1.00 1.00 N ATOM 105 CA TYR A 8 -10.029 -0.787 3.835 1.00 1.00 C ATOM 106 C TYR A 8 -9.296 0.554 3.842 1.00 1.00 C ATOM 107 O TYR A 8 -8.891 1.049 4.894 1.00 1.00 O ATOM 108 CB TYR A 8 -11.481 -0.590 4.293 1.00 1.00 C ATOM 109 CG TYR A 8 -12.286 -1.837 3.983 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.143 -2.974 4.788 1.00 1.00 C ATOM 111 CD2 TYR A 8 -13.166 -1.864 2.892 1.00 1.00 C ATOM 112 CE1 TYR A 8 -12.879 -4.132 4.506 1.00 1.00 C ATOM 113 CE2 TYR A 8 -13.902 -3.021 2.612 1.00 1.00 C ATOM 114 CZ TYR A 8 -13.760 -4.155 3.418 1.00 1.00 C ATOM 115 OH TYR A 8 -14.486 -5.294 3.140 1.00 1.00 O ATOM 0 H TYR A 8 -9.198 -1.389 5.672 1.00 1.00 H new ATOM 0 HA TYR A 8 -10.009 -1.180 2.818 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.511 -0.383 5.363 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -11.918 0.272 3.789 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -11.464 -2.958 5.628 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -13.276 -0.990 2.267 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -12.767 -5.008 5.128 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -14.581 -3.038 1.772 1.00 1.00 H new ATOM 0 HH TYR A 8 -15.049 -5.139 2.353 1.00 1.00 H new ATOM 125 N VAL A 9 -9.134 1.135 2.652 1.00 1.00 N ATOM 126 CA VAL A 9 -8.455 2.424 2.511 1.00 1.00 C ATOM 127 C VAL A 9 -9.403 3.560 2.883 1.00 1.00 C ATOM 128 O VAL A 9 -10.525 3.631 2.380 1.00 1.00 O ATOM 129 CB VAL A 9 -7.988 2.587 1.058 1.00 1.00 C ATOM 130 CG1 VAL A 9 -7.366 3.976 0.850 1.00 1.00 C ATOM 131 CG2 VAL A 9 -6.946 1.507 0.745 1.00 1.00 C ATOM 0 H VAL A 9 -9.463 0.734 1.774 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.594 2.457 3.179 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.845 2.484 0.392 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.039 4.077 -0.185 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.107 4.744 1.073 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -6.510 4.094 1.514 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -6.608 1.615 -0.286 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.096 1.615 1.419 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.392 0.521 0.879 1.00 1.00 H new ATOM 141 N MET A 10 -8.958 4.435 3.786 1.00 1.00 N ATOM 142 CA MET A 10 -9.794 5.548 4.234 1.00 1.00 C ATOM 143 C MET A 10 -9.877 6.651 3.183 1.00 1.00 C ATOM 144 O MET A 10 -10.951 6.917 2.644 1.00 1.00 O ATOM 145 CB MET A 10 -9.229 6.128 5.537 1.00 1.00 C ATOM 146 CG MET A 10 -8.989 4.994 6.544 1.00 1.00 C ATOM 147 SD MET A 10 -8.711 5.694 8.190 1.00 1.00 S ATOM 148 CE MET A 10 -8.460 4.129 9.066 1.00 1.00 C ATOM 0 H MET A 10 -8.034 4.396 4.217 1.00 1.00 H new ATOM 0 HA MET A 10 -10.800 5.162 4.400 1.00 1.00 H new ATOM 0 HB2 MET A 10 -8.296 6.655 5.338 1.00 1.00 H new ATOM 0 HB3 MET A 10 -9.924 6.857 5.954 1.00 1.00 H new ATOM 0 HG2 MET A 10 -9.848 4.323 6.563 1.00 1.00 H new ATOM 0 HG3 MET A 10 -8.127 4.400 6.240 1.00 1.00 H new ATOM 0 HE1 MET A 10 -8.269 4.329 10.120 1.00 1.00 H new ATOM 0 HE2 MET A 10 -9.353 3.511 8.970 1.00 1.00 H new ATOM 0 HE3 MET A 10 -7.607 3.604 8.636 1.00 1.00 H new ATOM 158 N SER A 11 -8.740 7.302 2.905 1.00 1.00 N ATOM 159 CA SER A 11 -8.692 8.398 1.923 1.00 1.00 C ATOM 160 C SER A 11 -7.577 8.177 0.905 1.00 1.00 C ATOM 161 O SER A 11 -6.644 7.414 1.140 1.00 1.00 O ATOM 162 CB SER A 11 -8.470 9.729 2.650 1.00 1.00 C ATOM 163 OG SER A 11 -8.704 10.803 1.746 1.00 1.00 O ATOM 0 H SER A 11 -7.843 7.091 3.343 1.00 1.00 H new ATOM 0 HA SER A 11 -9.642 8.421 1.389 1.00 1.00 H new ATOM 0 HB2 SER A 11 -9.141 9.806 3.505 1.00 1.00 H new ATOM 0 HB3 SER A 11 -7.452 9.780 3.038 1.00 1.00 H new ATOM 0 HG SER A 11 -8.565 11.656 2.208 1.00 1.00 H new ATOM 169 N VAL A 12 -7.693 8.870 -0.229 1.00 1.00 N ATOM 170 CA VAL A 12 -6.706 8.791 -1.316 1.00 1.00 C ATOM 171 C VAL A 12 -6.280 10.198 -1.684 1.00 1.00 C ATOM 172 O VAL A 12 -7.114 11.102 -1.730 1.00 1.00 O ATOM 173 CB VAL A 12 -7.316 8.103 -2.547 1.00 1.00 C ATOM 174 CG1 VAL A 12 -8.591 8.838 -2.975 1.00 1.00 C ATOM 175 CG2 VAL A 12 -6.303 8.104 -3.706 1.00 1.00 C ATOM 0 H VAL A 12 -8.470 9.501 -0.423 1.00 1.00 H new ATOM 0 HA VAL A 12 -5.847 8.208 -0.984 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.564 7.073 -2.291 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -9.019 8.346 -3.848 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -9.313 8.820 -2.158 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.349 9.871 -3.223 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.743 7.614 -4.575 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.043 9.131 -3.961 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.404 7.567 -3.404 1.00 1.00 H new ATOM 185 N LEU A 13 -4.978 10.390 -1.931 1.00 1.00 N ATOM 186 CA LEU A 13 -4.454 11.714 -2.279 1.00 1.00 C ATOM 187 C LEU A 13 -4.015 11.767 -3.755 1.00 1.00 C ATOM 188 O LEU A 13 -3.513 10.781 -4.293 1.00 1.00 O ATOM 189 CB LEU A 13 -3.269 12.061 -1.351 1.00 1.00 C ATOM 190 CG LEU A 13 -3.748 12.895 -0.147 1.00 1.00 C ATOM 191 CD1 LEU A 13 -4.748 12.080 0.687 1.00 1.00 C ATOM 192 CD2 LEU A 13 -2.541 13.280 0.709 1.00 1.00 C ATOM 0 H LEU A 13 -4.275 9.652 -1.897 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.247 12.449 -2.142 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.795 11.145 -1.000 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.515 12.617 -1.908 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.243 13.799 -0.501 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -5.083 12.675 1.537 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -5.606 11.814 0.069 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -4.266 11.172 1.048 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.874 13.870 1.563 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.044 12.377 1.064 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.844 13.867 0.112 1.00 1.00 H new ATOM 204 N PRO A 14 -4.191 12.903 -4.411 1.00 1.00 N ATOM 205 CA PRO A 14 -3.792 13.073 -5.842 1.00 1.00 C ATOM 206 C PRO A 14 -2.271 13.142 -6.020 1.00 1.00 C ATOM 207 O PRO A 14 -1.752 12.856 -7.100 1.00 1.00 O ATOM 208 CB PRO A 14 -4.468 14.401 -6.247 1.00 1.00 C ATOM 209 CG PRO A 14 -4.556 15.187 -4.972 1.00 1.00 C ATOM 210 CD PRO A 14 -4.781 14.152 -3.868 1.00 1.00 C ATOM 0 HA PRO A 14 -4.099 12.229 -6.459 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -3.883 14.930 -6.999 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -5.456 14.228 -6.675 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -3.642 15.755 -4.797 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -5.375 15.905 -5.009 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -4.296 14.450 -2.939 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -5.842 14.028 -3.649 1.00 1.00 H new ATOM 218 N ASN A 15 -1.562 13.543 -4.962 1.00 1.00 N ATOM 219 CA ASN A 15 -0.100 13.670 -5.017 1.00 1.00 C ATOM 220 C ASN A 15 0.578 12.457 -4.410 1.00 1.00 C ATOM 221 O ASN A 15 1.757 12.523 -4.058 1.00 1.00 O ATOM 222 CB ASN A 15 0.342 14.921 -4.251 1.00 1.00 C ATOM 223 CG ASN A 15 -0.197 16.165 -4.941 1.00 1.00 C ATOM 224 OD1 ASN A 15 -0.031 16.323 -6.151 1.00 1.00 O ATOM 225 ND2 ASN A 15 -0.836 17.063 -4.245 1.00 1.00 N ATOM 0 H ASN A 15 -1.972 13.785 -4.060 1.00 1.00 H new ATOM 0 HA ASN A 15 0.190 13.748 -6.065 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -0.021 14.877 -3.224 1.00 1.00 H new ATOM 0 HB3 ASN A 15 1.430 14.963 -4.203 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -1.200 17.899 -4.702 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -0.972 16.930 -3.243 1.00 1.00 H new ATOM 232 N MET A 16 -0.165 11.349 -4.274 1.00 1.00 N ATOM 233 CA MET A 16 0.388 10.122 -3.686 1.00 1.00 C ATOM 234 C MET A 16 0.478 9.003 -4.736 1.00 1.00 C ATOM 235 O MET A 16 -0.204 9.050 -5.759 1.00 1.00 O ATOM 236 CB MET A 16 -0.491 9.693 -2.487 1.00 1.00 C ATOM 237 CG MET A 16 -0.114 10.511 -1.235 1.00 1.00 C ATOM 238 SD MET A 16 -0.844 9.754 0.230 1.00 1.00 S ATOM 239 CE MET A 16 0.196 10.604 1.443 1.00 1.00 C ATOM 0 H MET A 16 -1.141 11.278 -4.560 1.00 1.00 H new ATOM 0 HA MET A 16 1.401 10.316 -3.333 1.00 1.00 H new ATOM 0 HB2 MET A 16 -1.544 9.843 -2.726 1.00 1.00 H new ATOM 0 HB3 MET A 16 -0.357 8.629 -2.290 1.00 1.00 H new ATOM 0 HG2 MET A 16 0.970 10.555 -1.131 1.00 1.00 H new ATOM 0 HG3 MET A 16 -0.467 11.537 -1.340 1.00 1.00 H new ATOM 0 HE1 MET A 16 -0.359 10.732 2.372 1.00 1.00 H new ATOM 0 HE2 MET A 16 1.091 10.011 1.634 1.00 1.00 H new ATOM 0 HE3 MET A 16 0.484 11.581 1.055 1.00 1.00 H new ATOM 249 N PRO A 17 1.323 8.005 -4.518 1.00 1.00 N ATOM 250 CA PRO A 17 1.502 6.877 -5.489 1.00 1.00 C ATOM 251 C PRO A 17 0.182 6.200 -5.883 1.00 1.00 C ATOM 252 O PRO A 17 0.049 5.696 -6.997 1.00 1.00 O ATOM 253 CB PRO A 17 2.430 5.884 -4.748 1.00 1.00 C ATOM 254 CG PRO A 17 3.168 6.708 -3.738 1.00 1.00 C ATOM 255 CD PRO A 17 2.207 7.832 -3.334 1.00 1.00 C ATOM 0 HA PRO A 17 1.914 7.235 -6.432 1.00 1.00 H new ATOM 0 HB2 PRO A 17 1.855 5.094 -4.266 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.119 5.400 -5.440 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.451 6.106 -2.874 1.00 1.00 H new ATOM 0 HG3 PRO A 17 4.088 7.113 -4.160 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.634 7.565 -2.446 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.745 8.751 -3.102 1.00 1.00 H new ATOM 263 N ALA A 18 -0.777 6.162 -4.961 1.00 1.00 N ATOM 264 CA ALA A 18 -2.062 5.516 -5.218 1.00 1.00 C ATOM 265 C ALA A 18 -2.938 6.364 -6.147 1.00 1.00 C ATOM 266 O ALA A 18 -3.998 5.921 -6.588 1.00 1.00 O ATOM 267 CB ALA A 18 -2.771 5.301 -3.865 1.00 1.00 C ATOM 0 H ALA A 18 -0.689 6.570 -4.030 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.893 4.561 -5.716 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.734 4.819 -4.032 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.154 4.668 -3.227 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.926 6.264 -3.379 1.00 1.00 H new ATOM 273 N ALA A 19 -2.505 7.581 -6.418 1.00 1.00 N ATOM 274 CA ALA A 19 -3.288 8.462 -7.276 1.00 1.00 C ATOM 275 C ALA A 19 -3.409 7.878 -8.685 1.00 1.00 C ATOM 276 O ALA A 19 -2.434 7.834 -9.434 1.00 1.00 O ATOM 277 CB ALA A 19 -2.632 9.841 -7.349 1.00 1.00 C ATOM 0 H ALA A 19 -1.634 7.980 -6.067 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.286 8.557 -6.848 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.224 10.492 -7.992 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.577 10.271 -6.349 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -1.626 9.744 -7.758 1.00 1.00 H new ATOM 283 N GLY A 20 -4.620 7.430 -9.037 1.00 1.00 N ATOM 284 CA GLY A 20 -4.879 6.847 -10.360 1.00 1.00 C ATOM 285 C GLY A 20 -4.758 5.325 -10.327 1.00 1.00 C ATOM 286 O GLY A 20 -5.195 4.642 -11.255 1.00 1.00 O ATOM 0 H GLY A 20 -5.436 7.460 -8.425 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.878 7.128 -10.695 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.174 7.255 -11.084 1.00 1.00 H new ATOM 290 N ARG A 21 -4.159 4.794 -9.256 1.00 1.00 N ATOM 291 CA ARG A 21 -3.973 3.340 -9.103 1.00 1.00 C ATOM 292 C ARG A 21 -4.905 2.784 -8.028 1.00 1.00 C ATOM 293 O ARG A 21 -5.493 1.715 -8.187 1.00 1.00 O ATOM 294 CB ARG A 21 -2.524 3.054 -8.703 1.00 1.00 C ATOM 295 CG ARG A 21 -1.582 3.473 -9.830 1.00 1.00 C ATOM 296 CD ARG A 21 -0.138 3.223 -9.393 1.00 1.00 C ATOM 297 NE ARG A 21 0.794 3.607 -10.456 1.00 1.00 N ATOM 298 CZ ARG A 21 1.242 4.857 -10.582 1.00 1.00 C ATOM 299 NH1 ARG A 21 0.837 5.785 -9.758 1.00 1.00 N ATOM 300 NH2 ARG A 21 2.087 5.152 -11.532 1.00 1.00 N ATOM 0 H ARG A 21 -3.793 5.346 -8.480 1.00 1.00 H new ATOM 0 HA ARG A 21 -4.205 2.859 -10.053 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -2.276 3.595 -7.790 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -2.399 1.993 -8.489 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.804 2.908 -10.735 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.726 4.527 -10.068 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.078 3.792 -8.489 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.004 2.170 -9.147 1.00 1.00 H new ATOM 0 HE ARG A 21 1.109 2.898 -11.119 1.00 1.00 H new ATOM 0 HH11 ARG A 21 0.176 5.555 -9.016 1.00 1.00 H new ATOM 0 HH12 ARG A 21 1.181 6.740 -9.857 1.00 1.00 H new ATOM 0 HH21 ARG A 21 2.403 4.427 -12.176 1.00 1.00 H new ATOM 0 HH22 ARG A 21 2.431 6.107 -11.630 1.00 1.00 H new ATOM 314 N LEU A 22 -5.022 3.533 -6.929 1.00 1.00 N ATOM 315 CA LEU A 22 -5.876 3.147 -5.792 1.00 1.00 C ATOM 316 C LEU A 22 -6.842 4.272 -5.445 1.00 1.00 C ATOM 317 O LEU A 22 -6.605 5.435 -5.766 1.00 1.00 O ATOM 318 CB LEU A 22 -4.996 2.770 -4.562 1.00 1.00 C ATOM 319 CG LEU A 22 -5.153 1.276 -4.199 1.00 1.00 C ATOM 320 CD1 LEU A 22 -4.051 0.870 -3.221 1.00 1.00 C ATOM 321 CD2 LEU A 22 -6.522 1.041 -3.535 1.00 1.00 C ATOM 0 H LEU A 22 -4.533 4.419 -6.798 1.00 1.00 H new ATOM 0 HA LEU A 22 -6.463 2.273 -6.075 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -3.950 2.986 -4.780 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -5.277 3.386 -3.708 1.00 1.00 H new ATOM 0 HG LEU A 22 -5.081 0.680 -5.108 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -4.162 -0.184 -2.965 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -3.077 1.031 -3.683 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -4.127 1.473 -2.316 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -6.627 -0.014 -3.281 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -6.594 1.641 -2.628 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -7.315 1.329 -4.225 1.00 1.00 H new ATOM 333 N GLU A 23 -7.949 3.901 -4.796 1.00 1.00 N ATOM 334 CA GLU A 23 -8.977 4.869 -4.411 1.00 1.00 C ATOM 335 C GLU A 23 -9.603 4.503 -3.067 1.00 1.00 C ATOM 336 O GLU A 23 -9.565 3.352 -2.634 1.00 1.00 O ATOM 337 CB GLU A 23 -10.069 4.918 -5.488 1.00 1.00 C ATOM 338 CG GLU A 23 -9.507 5.545 -6.775 1.00 1.00 C ATOM 339 CD GLU A 23 -10.602 5.674 -7.830 1.00 1.00 C ATOM 340 OE1 GLU A 23 -11.729 5.304 -7.544 1.00 1.00 O ATOM 341 OE2 GLU A 23 -10.295 6.146 -8.914 1.00 1.00 O ATOM 0 H GLU A 23 -8.155 2.939 -4.527 1.00 1.00 H new ATOM 0 HA GLU A 23 -8.505 5.847 -4.316 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -10.435 3.912 -5.693 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -10.919 5.500 -5.131 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -9.088 6.527 -6.555 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -8.693 4.931 -7.160 1.00 1.00 H new ATOM 348 N ALA A 24 -10.187 5.508 -2.425 1.00 1.00 N ATOM 349 CA ALA A 24 -10.837 5.315 -1.142 1.00 1.00 C ATOM 350 C ALA A 24 -12.010 4.364 -1.308 1.00 1.00 C ATOM 351 O ALA A 24 -12.795 4.494 -2.248 1.00 1.00 O ATOM 352 CB ALA A 24 -11.325 6.658 -0.595 1.00 1.00 C ATOM 0 H ALA A 24 -10.222 6.465 -2.776 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.124 4.888 -0.437 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -11.812 6.503 0.368 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -10.476 7.330 -0.469 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.036 7.099 -1.294 1.00 1.00 H new ATOM 358 N GLY A 25 -12.129 3.403 -0.393 1.00 1.00 N ATOM 359 CA GLY A 25 -13.207 2.409 -0.438 1.00 1.00 C ATOM 360 C GLY A 25 -12.653 1.048 -0.843 1.00 1.00 C ATOM 361 O GLY A 25 -13.216 0.009 -0.495 1.00 1.00 O ATOM 0 H GLY A 25 -11.490 3.289 0.394 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -13.687 2.338 0.538 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -13.972 2.724 -1.148 1.00 1.00 H new ATOM 365 N ASP A 26 -11.540 1.055 -1.578 1.00 1.00 N ATOM 366 CA ASP A 26 -10.914 -0.195 -2.015 1.00 1.00 C ATOM 367 C ASP A 26 -10.236 -0.896 -0.841 1.00 1.00 C ATOM 368 O ASP A 26 -9.779 -0.243 0.099 1.00 1.00 O ATOM 369 CB ASP A 26 -9.874 0.097 -3.098 1.00 1.00 C ATOM 370 CG ASP A 26 -10.563 0.695 -4.321 1.00 1.00 C ATOM 371 OD1 ASP A 26 -11.748 0.451 -4.486 1.00 1.00 O ATOM 372 OD2 ASP A 26 -9.897 1.386 -5.075 1.00 1.00 O ATOM 0 H ASP A 26 -11.058 1.901 -1.881 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.690 -0.847 -2.416 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.122 0.788 -2.717 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.354 -0.820 -3.373 1.00 1.00 H new ATOM 377 N ARG A 27 -10.166 -2.232 -0.903 1.00 1.00 N ATOM 378 CA ARG A 27 -9.532 -3.038 0.154 1.00 1.00 C ATOM 379 C ARG A 27 -8.292 -3.733 -0.389 1.00 1.00 C ATOM 380 O ARG A 27 -8.190 -3.988 -1.585 1.00 1.00 O ATOM 381 CB ARG A 27 -10.517 -4.082 0.698 1.00 1.00 C ATOM 382 CG ARG A 27 -11.122 -4.901 -0.450 1.00 1.00 C ATOM 383 CD ARG A 27 -11.902 -6.093 0.124 1.00 1.00 C ATOM 384 NE ARG A 27 -12.652 -6.753 -0.939 1.00 1.00 N ATOM 385 CZ ARG A 27 -13.586 -7.659 -0.667 1.00 1.00 C ATOM 386 NH1 ARG A 27 -13.846 -7.979 0.570 1.00 1.00 N ATOM 387 NH2 ARG A 27 -14.243 -8.227 -1.641 1.00 1.00 N ATOM 0 H ARG A 27 -10.541 -2.781 -1.676 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.242 -2.372 0.967 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -10.005 -4.745 1.395 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.311 -3.585 1.256 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.784 -4.274 -1.048 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.333 -5.255 -1.113 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -11.214 -6.799 0.588 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.583 -5.752 0.904 1.00 1.00 H new ATOM 0 HE ARG A 27 -12.456 -6.514 -1.911 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -13.332 -7.534 1.331 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -14.563 -8.674 0.777 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -14.039 -7.976 -2.608 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -14.960 -8.922 -1.435 1.00 1.00 H new ATOM 401 N ILE A 28 -7.353 -4.047 0.505 1.00 1.00 N ATOM 402 CA ILE A 28 -6.113 -4.722 0.108 1.00 1.00 C ATOM 403 C ILE A 28 -6.235 -6.221 0.349 1.00 1.00 C ATOM 404 O ILE A 28 -6.449 -6.666 1.477 1.00 1.00 O ATOM 405 CB ILE A 28 -4.926 -4.161 0.913 1.00 1.00 C ATOM 406 CG1 ILE A 28 -5.013 -2.624 0.967 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.607 -4.583 0.257 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.141 -2.027 -0.445 1.00 1.00 C ATOM 0 H ILE A 28 -7.425 -3.847 1.503 1.00 1.00 H new ATOM 0 HA ILE A 28 -5.940 -4.544 -0.953 1.00 1.00 H new ATOM 0 HB ILE A 28 -4.963 -4.558 1.928 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -5.871 -2.326 1.570 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.125 -2.223 1.456 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -2.771 -4.183 0.831 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.544 -5.671 0.234 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.567 -4.195 -0.761 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.201 -0.941 -0.377 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.270 -2.306 -1.038 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -6.043 -2.411 -0.922 1.00 1.00 H new ATOM 420 N ALA A 29 -6.097 -6.995 -0.724 1.00 1.00 N ATOM 421 CA ALA A 29 -6.191 -8.459 -0.639 1.00 1.00 C ATOM 422 C ALA A 29 -4.808 -9.091 -0.500 1.00 1.00 C ATOM 423 O ALA A 29 -4.681 -10.226 -0.043 1.00 1.00 O ATOM 424 CB ALA A 29 -6.872 -8.994 -1.899 1.00 1.00 C ATOM 0 H ALA A 29 -5.920 -6.639 -1.663 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.776 -8.718 0.243 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.944 -10.080 -1.840 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.872 -8.568 -1.981 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.286 -8.716 -2.775 1.00 1.00 H new ATOM 430 N ALA A 30 -3.780 -8.345 -0.892 1.00 1.00 N ATOM 431 CA ALA A 30 -2.409 -8.847 -0.808 1.00 1.00 C ATOM 432 C ALA A 30 -1.404 -7.772 -1.213 1.00 1.00 C ATOM 433 O ALA A 30 -1.733 -6.830 -1.933 1.00 1.00 O ATOM 434 CB ALA A 30 -2.234 -10.086 -1.701 1.00 1.00 C ATOM 0 H ALA A 30 -3.866 -7.400 -1.267 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.219 -9.124 0.229 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.208 -10.446 -1.626 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.918 -10.869 -1.375 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.451 -9.822 -2.736 1.00 1.00 H new ATOM 440 N ILE A 31 -0.159 -7.956 -0.763 1.00 1.00 N ATOM 441 CA ILE A 31 0.941 -7.033 -1.093 1.00 1.00 C ATOM 442 C ILE A 31 2.192 -7.821 -1.468 1.00 1.00 C ATOM 443 O ILE A 31 2.672 -8.649 -0.697 1.00 1.00 O ATOM 444 CB ILE A 31 1.253 -6.082 0.081 1.00 1.00 C ATOM 445 CG1 ILE A 31 0.029 -5.192 0.342 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.472 -5.198 -0.273 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.242 -4.358 1.611 1.00 1.00 C ATOM 0 H ILE A 31 0.117 -8.737 -0.167 1.00 1.00 H new ATOM 0 HA ILE A 31 0.624 -6.428 -1.942 1.00 1.00 H new ATOM 0 HB ILE A 31 1.483 -6.664 0.974 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.140 -4.534 -0.510 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.863 -5.810 0.449 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.689 -4.528 0.559 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.338 -5.832 -0.464 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.249 -4.611 -1.164 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.632 -3.731 1.785 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.388 -5.022 2.463 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.122 -3.727 1.488 1.00 1.00 H new ATOM 459 N ASP A 32 2.724 -7.533 -2.648 1.00 1.00 N ATOM 460 CA ASP A 32 3.935 -8.198 -3.125 1.00 1.00 C ATOM 461 C ASP A 32 3.805 -9.719 -3.024 1.00 1.00 C ATOM 462 O ASP A 32 4.804 -10.439 -2.994 1.00 1.00 O ATOM 463 CB ASP A 32 5.138 -7.714 -2.308 1.00 1.00 C ATOM 464 CG ASP A 32 6.444 -8.156 -2.963 1.00 1.00 C ATOM 465 OD1 ASP A 32 6.489 -8.204 -4.181 1.00 1.00 O ATOM 466 OD2 ASP A 32 7.383 -8.435 -2.235 1.00 1.00 O ATOM 0 H ASP A 32 2.339 -6.844 -3.294 1.00 1.00 H new ATOM 0 HA ASP A 32 4.081 -7.945 -4.175 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.115 -6.627 -2.226 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.080 -8.111 -1.295 1.00 1.00 H new ATOM 471 N GLY A 33 2.558 -10.205 -2.977 1.00 1.00 N ATOM 472 CA GLY A 33 2.281 -11.647 -2.891 1.00 1.00 C ATOM 473 C GLY A 33 1.941 -12.070 -1.465 1.00 1.00 C ATOM 474 O GLY A 33 1.571 -13.219 -1.220 1.00 1.00 O ATOM 0 H GLY A 33 1.722 -9.620 -2.997 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.453 -11.899 -3.553 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.149 -12.206 -3.240 1.00 1.00 H new ATOM 478 N GLN A 34 2.091 -11.144 -0.519 1.00 1.00 N ATOM 479 CA GLN A 34 1.815 -11.445 0.892 1.00 1.00 C ATOM 480 C GLN A 34 0.342 -11.155 1.248 1.00 1.00 C ATOM 481 O GLN A 34 -0.128 -10.033 1.043 1.00 1.00 O ATOM 482 CB GLN A 34 2.727 -10.610 1.795 1.00 1.00 C ATOM 483 CG GLN A 34 4.191 -10.811 1.386 1.00 1.00 C ATOM 484 CD GLN A 34 4.600 -12.274 1.568 1.00 1.00 C ATOM 485 OE1 GLN A 34 5.025 -12.923 0.614 1.00 1.00 O ATOM 486 NE2 GLN A 34 4.488 -12.836 2.742 1.00 1.00 N ATOM 0 H GLN A 34 2.399 -10.188 -0.697 1.00 1.00 H new ATOM 0 HA GLN A 34 2.009 -12.506 1.050 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.461 -9.556 1.720 1.00 1.00 H new ATOM 0 HB3 GLN A 34 2.588 -10.901 2.836 1.00 1.00 H new ATOM 0 HG2 GLN A 34 4.328 -10.515 0.346 1.00 1.00 H new ATOM 0 HG3 GLN A 34 4.835 -10.169 1.988 1.00 1.00 H new ATOM 0 HE21 GLN A 34 4.135 -12.298 3.534 1.00 1.00 H new ATOM 0 HE22 GLN A 34 4.753 -13.813 2.867 1.00 1.00 H new ATOM 495 N PRO A 35 -0.405 -12.114 1.786 1.00 1.00 N ATOM 496 CA PRO A 35 -1.836 -11.887 2.163 1.00 1.00 C ATOM 497 C PRO A 35 -1.953 -11.063 3.450 1.00 1.00 C ATOM 498 O PRO A 35 -1.260 -11.327 4.432 1.00 1.00 O ATOM 499 CB PRO A 35 -2.391 -13.317 2.342 1.00 1.00 C ATOM 500 CG PRO A 35 -1.209 -14.133 2.775 1.00 1.00 C ATOM 501 CD PRO A 35 0.015 -13.504 2.093 1.00 1.00 C ATOM 0 HA PRO A 35 -2.387 -11.315 1.417 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -3.185 -13.343 3.088 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -2.815 -13.696 1.412 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -1.101 -14.118 3.860 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -1.326 -15.176 2.480 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.886 -13.520 2.748 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.287 -14.046 1.187 1.00 1.00 H new ATOM 509 N ILE A 36 -2.818 -10.044 3.423 1.00 1.00 N ATOM 510 CA ILE A 36 -3.004 -9.154 4.579 1.00 1.00 C ATOM 511 C ILE A 36 -4.234 -9.523 5.407 1.00 1.00 C ATOM 512 O ILE A 36 -5.375 -9.356 4.974 1.00 1.00 O ATOM 513 CB ILE A 36 -3.146 -7.703 4.091 1.00 1.00 C ATOM 514 CG1 ILE A 36 -2.052 -7.381 3.057 1.00 1.00 C ATOM 515 CG2 ILE A 36 -3.044 -6.733 5.278 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.657 -7.755 3.583 1.00 1.00 C ATOM 0 H ILE A 36 -3.400 -9.814 2.617 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.127 -9.264 5.217 1.00 1.00 H new ATOM 0 HB ILE A 36 -4.123 -7.587 3.621 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -2.252 -7.923 2.133 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -2.079 -6.318 2.815 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -3.146 -5.708 4.920 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.838 -6.948 5.993 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.076 -6.853 5.764 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.093 -7.515 2.829 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.449 -7.193 4.493 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.624 -8.823 3.800 1.00 1.00 H new ATOM 528 N ASN A 37 -3.964 -10.021 6.610 1.00 1.00 N ATOM 529 CA ASN A 37 -5.017 -10.428 7.563 1.00 1.00 C ATOM 530 C ASN A 37 -4.990 -9.556 8.819 1.00 1.00 C ATOM 531 O ASN A 37 -5.965 -9.507 9.568 1.00 1.00 O ATOM 532 CB ASN A 37 -4.836 -11.897 7.964 1.00 1.00 C ATOM 533 CG ASN A 37 -3.489 -12.109 8.647 1.00 1.00 C ATOM 534 OD1 ASN A 37 -3.395 -12.034 9.872 1.00 1.00 O ATOM 535 ND2 ASN A 37 -2.437 -12.381 7.925 1.00 1.00 N ATOM 0 H ASN A 37 -3.016 -10.157 6.960 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.979 -10.301 7.067 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -5.641 -12.197 8.635 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.905 -12.531 7.080 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -1.534 -12.532 8.375 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -2.517 -12.443 6.910 1.00 1.00 H new ATOM 542 N THR A 38 -3.868 -8.868 9.047 1.00 1.00 N ATOM 543 CA THR A 38 -3.713 -7.990 10.225 1.00 1.00 C ATOM 544 C THR A 38 -3.000 -6.707 9.858 1.00 1.00 C ATOM 545 O THR A 38 -2.240 -6.653 8.891 1.00 1.00 O ATOM 546 CB THR A 38 -2.907 -8.683 11.339 1.00 1.00 C ATOM 547 OG1 THR A 38 -2.482 -7.714 12.286 1.00 1.00 O ATOM 548 CG2 THR A 38 -1.687 -9.405 10.765 1.00 1.00 C ATOM 0 H THR A 38 -3.051 -8.897 8.437 1.00 1.00 H new ATOM 0 HA THR A 38 -4.718 -7.768 10.583 1.00 1.00 H new ATOM 0 HB THR A 38 -3.548 -9.421 11.822 1.00 1.00 H new ATOM 0 HG1 THR A 38 -1.970 -8.154 12.997 1.00 1.00 H new ATOM 0 HG21 THR A 38 -1.135 -9.886 11.573 1.00 1.00 H new ATOM 0 HG22 THR A 38 -2.014 -10.160 10.050 1.00 1.00 H new ATOM 0 HG23 THR A 38 -1.041 -8.685 10.263 1.00 1.00 H new ATOM 556 N SER A 39 -3.238 -5.680 10.659 1.00 1.00 N ATOM 557 CA SER A 39 -2.600 -4.398 10.440 1.00 1.00 C ATOM 558 C SER A 39 -1.106 -4.546 10.674 1.00 1.00 C ATOM 559 O SER A 39 -0.309 -3.752 10.176 1.00 1.00 O ATOM 560 CB SER A 39 -3.173 -3.353 11.397 1.00 1.00 C ATOM 561 OG SER A 39 -4.549 -3.151 11.102 1.00 1.00 O ATOM 0 H SER A 39 -3.866 -5.712 11.462 1.00 1.00 H new ATOM 0 HA SER A 39 -2.784 -4.070 9.417 1.00 1.00 H new ATOM 0 HB2 SER A 39 -3.055 -3.684 12.429 1.00 1.00 H new ATOM 0 HB3 SER A 39 -2.627 -2.415 11.299 1.00 1.00 H new ATOM 0 HG SER A 39 -4.920 -2.483 11.715 1.00 1.00 H new ATOM 567 N GLU A 40 -0.733 -5.571 11.444 1.00 1.00 N ATOM 568 CA GLU A 40 0.677 -5.810 11.745 1.00 1.00 C ATOM 569 C GLU A 40 1.423 -6.248 10.493 1.00 1.00 C ATOM 570 O GLU A 40 2.590 -5.917 10.302 1.00 1.00 O ATOM 571 CB GLU A 40 0.802 -6.895 12.819 1.00 1.00 C ATOM 572 CG GLU A 40 0.138 -6.423 14.117 1.00 1.00 C ATOM 573 CD GLU A 40 0.917 -5.259 14.723 1.00 1.00 C ATOM 574 OE1 GLU A 40 2.075 -5.098 14.373 1.00 1.00 O ATOM 575 OE2 GLU A 40 0.345 -4.547 15.533 1.00 1.00 O ATOM 0 H GLU A 40 -1.379 -6.239 11.864 1.00 1.00 H new ATOM 0 HA GLU A 40 1.115 -4.881 12.110 1.00 1.00 H new ATOM 0 HB2 GLU A 40 0.332 -7.816 12.474 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.853 -7.121 12.999 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -0.889 -6.116 13.917 1.00 1.00 H new ATOM 0 HG3 GLU A 40 0.091 -7.247 14.829 1.00 1.00 H new ATOM 582 N GLN A 41 0.747 -7.008 9.645 1.00 1.00 N ATOM 583 CA GLN A 41 1.375 -7.491 8.424 1.00 1.00 C ATOM 584 C GLN A 41 1.882 -6.312 7.601 1.00 1.00 C ATOM 585 O GLN A 41 2.894 -6.422 6.907 1.00 1.00 O ATOM 586 CB GLN A 41 0.376 -8.323 7.609 1.00 1.00 C ATOM 587 CG GLN A 41 1.075 -8.987 6.414 1.00 1.00 C ATOM 588 CD GLN A 41 2.059 -10.050 6.899 1.00 1.00 C ATOM 589 OE1 GLN A 41 1.754 -10.802 7.824 1.00 1.00 O ATOM 590 NE2 GLN A 41 3.228 -10.153 6.327 1.00 1.00 N ATOM 0 H GLN A 41 -0.221 -7.300 9.776 1.00 1.00 H new ATOM 0 HA GLN A 41 2.221 -8.126 8.686 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.074 -9.086 8.244 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -0.434 -7.685 7.255 1.00 1.00 H new ATOM 0 HG2 GLN A 41 0.334 -9.441 5.757 1.00 1.00 H new ATOM 0 HG3 GLN A 41 1.602 -8.234 5.828 1.00 1.00 H new ATOM 0 HE21 GLN A 41 3.478 -9.528 5.560 1.00 1.00 H new ATOM 0 HE22 GLN A 41 3.892 -10.858 6.647 1.00 1.00 H new ATOM 599 N ILE A 42 1.189 -5.178 7.687 1.00 1.00 N ATOM 600 CA ILE A 42 1.581 -3.974 6.962 1.00 1.00 C ATOM 601 C ILE A 42 2.790 -3.316 7.612 1.00 1.00 C ATOM 602 O ILE A 42 3.559 -2.639 6.939 1.00 1.00 O ATOM 603 CB ILE A 42 0.404 -2.987 6.940 1.00 1.00 C ATOM 604 CG1 ILE A 42 -0.842 -3.675 6.339 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.763 -1.742 6.120 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.564 -4.203 4.917 1.00 1.00 C ATOM 0 H ILE A 42 0.349 -5.069 8.255 1.00 1.00 H new ATOM 0 HA ILE A 42 1.850 -4.253 5.943 1.00 1.00 H new ATOM 0 HB ILE A 42 0.186 -2.677 7.962 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -1.149 -4.500 6.981 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -1.671 -2.968 6.310 1.00 1.00 H new ATOM 0 HG21 ILE A 42 -0.082 -1.054 6.115 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.629 -1.251 6.564 1.00 1.00 H new ATOM 0 HG23 ILE A 42 0.998 -2.035 5.097 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.462 -4.681 4.524 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.282 -3.373 4.269 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.248 -4.929 4.951 1.00 1.00 H new ATOM 618 N VAL A 43 2.953 -3.528 8.912 1.00 1.00 N ATOM 619 CA VAL A 43 4.083 -2.960 9.648 1.00 1.00 C ATOM 620 C VAL A 43 5.386 -3.637 9.223 1.00 1.00 C ATOM 621 O VAL A 43 6.411 -2.986 9.054 1.00 1.00 O ATOM 622 CB VAL A 43 3.865 -3.144 11.154 1.00 1.00 C ATOM 623 CG1 VAL A 43 5.046 -2.557 11.939 1.00 1.00 C ATOM 624 CG2 VAL A 43 2.570 -2.439 11.567 1.00 1.00 C ATOM 0 H VAL A 43 2.319 -4.089 9.481 1.00 1.00 H new ATOM 0 HA VAL A 43 4.152 -1.896 9.423 1.00 1.00 H new ATOM 0 HB VAL A 43 3.792 -4.209 11.377 1.00 1.00 H new ATOM 0 HG11 VAL A 43 4.877 -2.695 13.007 1.00 1.00 H new ATOM 0 HG12 VAL A 43 5.965 -3.066 11.648 1.00 1.00 H new ATOM 0 HG13 VAL A 43 5.135 -1.493 11.720 1.00 1.00 H new ATOM 0 HG21 VAL A 43 2.411 -2.568 12.638 1.00 1.00 H new ATOM 0 HG22 VAL A 43 2.645 -1.376 11.336 1.00 1.00 H new ATOM 0 HG23 VAL A 43 1.731 -2.871 11.021 1.00 1.00 H new ATOM 634 N SER A 44 5.349 -4.954 9.057 1.00 1.00 N ATOM 635 CA SER A 44 6.540 -5.686 8.644 1.00 1.00 C ATOM 636 C SER A 44 6.940 -5.274 7.231 1.00 1.00 C ATOM 637 O SER A 44 8.123 -5.123 6.919 1.00 1.00 O ATOM 638 CB SER A 44 6.272 -7.189 8.688 1.00 1.00 C ATOM 639 OG SER A 44 7.453 -7.888 8.315 1.00 1.00 O ATOM 0 H SER A 44 4.520 -5.530 9.200 1.00 1.00 H new ATOM 0 HA SER A 44 7.354 -5.450 9.329 1.00 1.00 H new ATOM 0 HB2 SER A 44 5.961 -7.485 9.690 1.00 1.00 H new ATOM 0 HB3 SER A 44 5.456 -7.444 8.012 1.00 1.00 H new ATOM 0 HG SER A 44 7.285 -8.853 8.344 1.00 1.00 H new ATOM 645 N TYR A 45 5.934 -5.111 6.380 1.00 1.00 N ATOM 646 CA TYR A 45 6.172 -4.735 4.987 1.00 1.00 C ATOM 647 C TYR A 45 6.939 -3.405 4.908 1.00 1.00 C ATOM 648 O TYR A 45 8.006 -3.339 4.298 1.00 1.00 O ATOM 649 CB TYR A 45 4.806 -4.648 4.237 1.00 1.00 C ATOM 650 CG TYR A 45 4.790 -3.494 3.234 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.794 -3.396 2.262 1.00 1.00 C ATOM 652 CD2 TYR A 45 3.794 -2.509 3.297 1.00 1.00 C ATOM 653 CE1 TYR A 45 5.800 -2.322 1.364 1.00 1.00 C ATOM 654 CE2 TYR A 45 3.801 -1.442 2.396 1.00 1.00 C ATOM 655 CZ TYR A 45 4.801 -1.347 1.430 1.00 1.00 C ATOM 656 OH TYR A 45 4.807 -0.286 0.546 1.00 1.00 O ATOM 0 H TYR A 45 4.951 -5.232 6.625 1.00 1.00 H new ATOM 0 HA TYR A 45 6.789 -5.494 4.506 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.615 -5.586 3.717 1.00 1.00 H new ATOM 0 HB3 TYR A 45 4.001 -4.515 4.960 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.565 -4.150 2.205 1.00 1.00 H new ATOM 0 HD2 TYR A 45 3.018 -2.576 4.045 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.578 -2.247 0.619 1.00 1.00 H new ATOM 0 HE2 TYR A 45 3.029 -0.688 2.448 1.00 1.00 H new ATOM 0 HH TYR A 45 4.042 0.298 0.730 1.00 1.00 H new ATOM 666 N VAL A 46 6.389 -2.353 5.504 1.00 1.00 N ATOM 667 CA VAL A 46 7.034 -1.054 5.459 1.00 1.00 C ATOM 668 C VAL A 46 8.431 -1.135 6.065 1.00 1.00 C ATOM 669 O VAL A 46 9.372 -0.537 5.549 1.00 1.00 O ATOM 670 CB VAL A 46 6.173 -0.026 6.206 1.00 1.00 C ATOM 671 CG1 VAL A 46 4.845 0.184 5.466 1.00 1.00 C ATOM 672 CG2 VAL A 46 5.895 -0.512 7.622 1.00 1.00 C ATOM 0 H VAL A 46 5.508 -2.377 6.018 1.00 1.00 H new ATOM 0 HA VAL A 46 7.135 -0.738 4.421 1.00 1.00 H new ATOM 0 HB VAL A 46 6.713 0.920 6.249 1.00 1.00 H new ATOM 0 HG11 VAL A 46 4.241 0.915 6.003 1.00 1.00 H new ATOM 0 HG12 VAL A 46 5.044 0.548 4.458 1.00 1.00 H new ATOM 0 HG13 VAL A 46 4.306 -0.762 5.410 1.00 1.00 H new ATOM 0 HG21 VAL A 46 5.284 0.223 8.145 1.00 1.00 H new ATOM 0 HG22 VAL A 46 5.365 -1.463 7.583 1.00 1.00 H new ATOM 0 HG23 VAL A 46 6.838 -0.644 8.153 1.00 1.00 H new ATOM 682 N ARG A 47 8.564 -1.890 7.149 1.00 1.00 N ATOM 683 CA ARG A 47 9.862 -2.057 7.796 1.00 1.00 C ATOM 684 C ARG A 47 10.829 -2.814 6.882 1.00 1.00 C ATOM 685 O ARG A 47 12.022 -2.509 6.845 1.00 1.00 O ATOM 686 CB ARG A 47 9.697 -2.794 9.136 1.00 1.00 C ATOM 687 CG ARG A 47 9.068 -1.855 10.174 1.00 1.00 C ATOM 688 CD ARG A 47 8.876 -2.602 11.491 1.00 1.00 C ATOM 689 NE ARG A 47 10.178 -2.997 12.021 1.00 1.00 N ATOM 690 CZ ARG A 47 10.958 -2.131 12.665 1.00 1.00 C ATOM 691 NH1 ARG A 47 10.547 -0.910 12.876 1.00 1.00 N ATOM 692 NH2 ARG A 47 12.136 -2.505 13.082 1.00 1.00 N ATOM 0 H ARG A 47 7.797 -2.393 7.596 1.00 1.00 H new ATOM 0 HA ARG A 47 10.281 -1.070 7.990 1.00 1.00 H new ATOM 0 HB2 ARG A 47 9.069 -3.675 9.002 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.666 -3.145 9.490 1.00 1.00 H new ATOM 0 HG2 ARG A 47 9.707 -0.986 10.327 1.00 1.00 H new ATOM 0 HG3 ARG A 47 8.109 -1.485 9.811 1.00 1.00 H new ATOM 0 HD2 ARG A 47 8.357 -1.967 12.209 1.00 1.00 H new ATOM 0 HD3 ARG A 47 8.253 -3.482 11.334 1.00 1.00 H new ATOM 0 HE ARG A 47 10.497 -3.958 11.895 1.00 1.00 H new ATOM 0 HH11 ARG A 47 9.627 -0.618 12.547 1.00 1.00 H new ATOM 0 HH12 ARG A 47 11.146 -0.248 13.370 1.00 1.00 H new ATOM 0 HH21 ARG A 47 12.457 -3.458 12.914 1.00 1.00 H new ATOM 0 HH22 ARG A 47 12.736 -1.844 13.576 1.00 1.00 H new ATOM 706 N GLU A 48 10.321 -3.802 6.147 1.00 1.00 N ATOM 707 CA GLU A 48 11.174 -4.578 5.246 1.00 1.00 C ATOM 708 C GLU A 48 11.757 -3.678 4.162 1.00 1.00 C ATOM 709 O GLU A 48 12.970 -3.639 3.957 1.00 1.00 O ATOM 710 CB GLU A 48 10.363 -5.705 4.589 1.00 1.00 C ATOM 711 CG GLU A 48 11.281 -6.583 3.723 1.00 1.00 C ATOM 712 CD GLU A 48 10.502 -7.760 3.145 1.00 1.00 C ATOM 713 OE1 GLU A 48 9.284 -7.748 3.239 1.00 1.00 O ATOM 714 OE2 GLU A 48 11.134 -8.658 2.613 1.00 1.00 O ATOM 0 H GLU A 48 9.340 -4.082 6.155 1.00 1.00 H new ATOM 0 HA GLU A 48 11.987 -5.010 5.830 1.00 1.00 H new ATOM 0 HB2 GLU A 48 9.884 -6.313 5.356 1.00 1.00 H new ATOM 0 HB3 GLU A 48 9.568 -5.281 3.975 1.00 1.00 H new ATOM 0 HG2 GLU A 48 11.706 -5.988 2.915 1.00 1.00 H new ATOM 0 HG3 GLU A 48 12.115 -6.950 4.322 1.00 1.00 H new ATOM 721 N LYS A 49 10.875 -2.965 3.462 1.00 1.00 N ATOM 722 CA LYS A 49 11.286 -2.072 2.378 1.00 1.00 C ATOM 723 C LYS A 49 11.628 -0.689 2.924 1.00 1.00 C ATOM 724 O LYS A 49 11.183 -0.306 4.003 1.00 1.00 O ATOM 725 CB LYS A 49 10.155 -1.966 1.341 1.00 1.00 C ATOM 726 CG LYS A 49 9.643 -3.365 0.933 1.00 1.00 C ATOM 727 CD LYS A 49 10.698 -4.105 0.103 1.00 1.00 C ATOM 728 CE LYS A 49 10.145 -5.451 -0.360 1.00 1.00 C ATOM 729 NZ LYS A 49 11.161 -6.112 -1.227 1.00 1.00 N ATOM 0 H LYS A 49 9.869 -2.988 3.627 1.00 1.00 H new ATOM 0 HA LYS A 49 12.176 -2.482 1.901 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.333 -1.380 1.753 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.514 -1.435 0.459 1.00 1.00 H new ATOM 0 HG2 LYS A 49 9.402 -3.944 1.824 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.722 -3.268 0.358 1.00 1.00 H new ATOM 0 HD2 LYS A 49 10.983 -3.503 -0.760 1.00 1.00 H new ATOM 0 HD3 LYS A 49 11.599 -4.257 0.697 1.00 1.00 H new ATOM 0 HE2 LYS A 49 9.914 -6.081 0.499 1.00 1.00 H new ATOM 0 HE3 LYS A 49 9.215 -5.308 -0.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 10.797 -7.031 -1.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 11.359 -5.509 -2.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 12.037 -6.258 -0.686 1.00 1.00 H new ATOM 743 N GLN A 50 12.447 0.054 2.167 1.00 1.00 N ATOM 744 CA GLN A 50 12.883 1.400 2.566 1.00 1.00 C ATOM 745 C GLN A 50 12.299 2.466 1.647 1.00 1.00 C ATOM 746 O GLN A 50 11.534 2.167 0.729 1.00 1.00 O ATOM 747 CB GLN A 50 14.415 1.474 2.550 1.00 1.00 C ATOM 748 CG GLN A 50 14.946 1.167 1.146 1.00 1.00 C ATOM 749 CD GLN A 50 16.470 1.079 1.175 1.00 1.00 C ATOM 750 OE1 GLN A 50 17.155 2.002 0.738 1.00 1.00 O ATOM 751 NE2 GLN A 50 17.046 0.016 1.672 1.00 1.00 N ATOM 0 H GLN A 50 12.823 -0.256 1.271 1.00 1.00 H new ATOM 0 HA GLN A 50 12.519 1.591 3.575 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.741 2.466 2.861 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.828 0.764 3.266 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.526 0.228 0.786 1.00 1.00 H new ATOM 0 HG3 GLN A 50 14.631 1.945 0.450 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.478 -0.750 2.034 1.00 1.00 H new ATOM 0 HE22 GLN A 50 18.064 -0.048 1.697 1.00 1.00 H new ATOM 760 N ALA A 51 12.670 3.715 1.909 1.00 1.00 N ATOM 761 CA ALA A 51 12.182 4.831 1.109 1.00 1.00 C ATOM 762 C ALA A 51 12.703 4.721 -0.321 1.00 1.00 C ATOM 763 O ALA A 51 13.876 4.421 -0.540 1.00 1.00 O ATOM 764 CB ALA A 51 12.640 6.156 1.728 1.00 1.00 C ATOM 0 H ALA A 51 13.303 3.978 2.664 1.00 1.00 H new ATOM 0 HA ALA A 51 11.093 4.801 1.091 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.272 6.986 1.125 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.245 6.240 2.741 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.729 6.186 1.759 1.00 1.00 H new ATOM 770 N GLY A 52 11.822 4.957 -1.297 1.00 1.00 N ATOM 771 CA GLY A 52 12.197 4.878 -2.715 1.00 1.00 C ATOM 772 C GLY A 52 11.941 3.477 -3.268 1.00 1.00 C ATOM 773 O GLY A 52 12.169 3.216 -4.449 1.00 1.00 O ATOM 0 H GLY A 52 10.846 5.204 -1.134 1.00 1.00 H new ATOM 0 HA2 GLY A 52 11.627 5.609 -3.288 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.250 5.133 -2.832 1.00 1.00 H new ATOM 777 N ASP A 53 11.469 2.580 -2.402 1.00 1.00 N ATOM 778 CA ASP A 53 11.190 1.203 -2.810 1.00 1.00 C ATOM 779 C ASP A 53 9.920 1.132 -3.650 1.00 1.00 C ATOM 780 O ASP A 53 9.197 2.114 -3.788 1.00 1.00 O ATOM 781 CB ASP A 53 11.048 0.294 -1.592 1.00 1.00 C ATOM 782 CG ASP A 53 10.945 -1.156 -2.054 1.00 1.00 C ATOM 783 OD1 ASP A 53 11.946 -1.686 -2.503 1.00 1.00 O ATOM 784 OD2 ASP A 53 9.871 -1.712 -1.940 1.00 1.00 O ATOM 0 H ASP A 53 11.273 2.780 -1.421 1.00 1.00 H new ATOM 0 HA ASP A 53 12.032 0.861 -3.412 1.00 1.00 H new ATOM 0 HB2 ASP A 53 11.905 0.417 -0.930 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.162 0.569 -1.020 1.00 1.00 H new ATOM 789 N ARG A 54 9.658 -0.049 -4.215 1.00 1.00 N ATOM 790 CA ARG A 54 8.474 -0.267 -5.064 1.00 1.00 C ATOM 791 C ARG A 54 7.895 -1.648 -4.807 1.00 1.00 C ATOM 792 O ARG A 54 8.620 -2.644 -4.822 1.00 1.00 O ATOM 793 CB ARG A 54 8.859 -0.172 -6.547 1.00 1.00 C ATOM 794 CG ARG A 54 9.391 1.227 -6.850 1.00 1.00 C ATOM 795 CD ARG A 54 9.768 1.329 -8.331 1.00 1.00 C ATOM 796 NE ARG A 54 8.569 1.219 -9.165 1.00 1.00 N ATOM 797 CZ ARG A 54 7.791 2.274 -9.413 1.00 1.00 C ATOM 798 NH1 ARG A 54 8.092 3.443 -8.914 1.00 1.00 N ATOM 799 NH2 ARG A 54 6.728 2.137 -10.158 1.00 1.00 N ATOM 0 H ARG A 54 10.248 -0.873 -4.102 1.00 1.00 H new ATOM 0 HA ARG A 54 7.737 0.498 -4.822 1.00 1.00 H new ATOM 0 HB2 ARG A 54 9.616 -0.919 -6.785 1.00 1.00 H new ATOM 0 HB3 ARG A 54 7.992 -0.386 -7.172 1.00 1.00 H new ATOM 0 HG2 ARG A 54 8.636 1.974 -6.605 1.00 1.00 H new ATOM 0 HG3 ARG A 54 10.261 1.438 -6.228 1.00 1.00 H new ATOM 0 HD2 ARG A 54 10.268 2.279 -8.522 1.00 1.00 H new ATOM 0 HD3 ARG A 54 10.474 0.540 -8.590 1.00 1.00 H new ATOM 0 HE ARG A 54 8.323 0.314 -9.566 1.00 1.00 H new ATOM 0 HH11 ARG A 54 8.924 3.551 -8.333 1.00 1.00 H new ATOM 0 HH12 ARG A 54 7.496 4.248 -9.105 1.00 1.00 H new ATOM 0 HH21 ARG A 54 6.494 1.225 -10.549 1.00 1.00 H new ATOM 0 HH22 ARG A 54 6.132 2.942 -10.349 1.00 1.00 H new ATOM 813 N VAL A 55 6.585 -1.703 -4.570 1.00 1.00 N ATOM 814 CA VAL A 55 5.909 -2.980 -4.310 1.00 1.00 C ATOM 815 C VAL A 55 4.555 -3.066 -5.021 1.00 1.00 C ATOM 816 O VAL A 55 3.740 -2.147 -4.979 1.00 1.00 O ATOM 817 CB VAL A 55 5.724 -3.178 -2.794 1.00 1.00 C ATOM 818 CG1 VAL A 55 7.073 -3.498 -2.132 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.151 -1.893 -2.194 1.00 1.00 C ATOM 0 H VAL A 55 5.972 -0.888 -4.552 1.00 1.00 H new ATOM 0 HA VAL A 55 6.540 -3.775 -4.708 1.00 1.00 H new ATOM 0 HB VAL A 55 5.042 -4.010 -2.618 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.929 -3.636 -1.060 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.482 -4.411 -2.563 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.766 -2.674 -2.302 1.00 1.00 H new ATOM 0 HG21 VAL A 55 5.016 -2.022 -1.120 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.839 -1.068 -2.377 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.189 -1.673 -2.657 1.00 1.00 H new ATOM 829 N ARG A 56 4.345 -4.208 -5.663 1.00 1.00 N ATOM 830 CA ARG A 56 3.105 -4.482 -6.387 1.00 1.00 C ATOM 831 C ARG A 56 2.006 -4.789 -5.378 1.00 1.00 C ATOM 832 O ARG A 56 2.011 -5.841 -4.743 1.00 1.00 O ATOM 833 CB ARG A 56 3.308 -5.681 -7.342 1.00 1.00 C ATOM 834 CG ARG A 56 3.992 -5.228 -8.645 1.00 1.00 C ATOM 835 CD ARG A 56 5.369 -4.629 -8.341 1.00 1.00 C ATOM 836 NE ARG A 56 6.126 -5.522 -7.470 1.00 1.00 N ATOM 837 CZ ARG A 56 7.241 -5.125 -6.873 1.00 1.00 C ATOM 838 NH1 ARG A 56 7.680 -3.907 -7.047 1.00 1.00 N ATOM 839 NH2 ARG A 56 7.897 -5.950 -6.103 1.00 1.00 N ATOM 0 H ARG A 56 5.024 -4.968 -5.698 1.00 1.00 H new ATOM 0 HA ARG A 56 2.821 -3.613 -6.981 1.00 1.00 H new ATOM 0 HB2 ARG A 56 3.914 -6.443 -6.853 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.345 -6.138 -7.570 1.00 1.00 H new ATOM 0 HG2 ARG A 56 4.098 -6.076 -9.322 1.00 1.00 H new ATOM 0 HG3 ARG A 56 3.371 -4.490 -9.153 1.00 1.00 H new ATOM 0 HD2 ARG A 56 5.916 -4.466 -9.270 1.00 1.00 H new ATOM 0 HD3 ARG A 56 5.253 -3.656 -7.864 1.00 1.00 H new ATOM 0 HE ARG A 56 5.790 -6.473 -7.317 1.00 1.00 H new ATOM 0 HH11 ARG A 56 7.165 -3.259 -7.643 1.00 1.00 H new ATOM 0 HH12 ARG A 56 8.538 -3.604 -6.587 1.00 1.00 H new ATOM 0 HH21 ARG A 56 7.552 -6.899 -5.961 1.00 1.00 H new ATOM 0 HH22 ARG A 56 8.755 -5.645 -5.643 1.00 1.00 H new ATOM 853 N VAL A 57 1.080 -3.844 -5.216 1.00 1.00 N ATOM 854 CA VAL A 57 -0.019 -3.990 -4.259 1.00 1.00 C ATOM 855 C VAL A 57 -1.269 -4.491 -4.963 1.00 1.00 C ATOM 856 O VAL A 57 -1.599 -4.028 -6.035 1.00 1.00 O ATOM 857 CB VAL A 57 -0.297 -2.631 -3.595 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.567 -2.709 -2.724 1.00 1.00 C ATOM 859 CG2 VAL A 57 0.911 -2.243 -2.731 1.00 1.00 C ATOM 0 H VAL A 57 1.068 -2.967 -5.736 1.00 1.00 H new ATOM 0 HA VAL A 57 0.262 -4.717 -3.497 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.457 -1.877 -4.365 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.751 -1.740 -2.261 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.419 -2.981 -3.347 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.430 -3.462 -1.948 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.724 -1.280 -2.255 1.00 1.00 H new ATOM 0 HG22 VAL A 57 1.069 -3.002 -1.965 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.799 -2.171 -3.359 1.00 1.00 H new ATOM 869 N THR A 58 -1.966 -5.436 -4.332 1.00 1.00 N ATOM 870 CA THR A 58 -3.202 -6.004 -4.888 1.00 1.00 C ATOM 871 C THR A 58 -4.406 -5.444 -4.140 1.00 1.00 C ATOM 872 O THR A 58 -4.373 -5.320 -2.915 1.00 1.00 O ATOM 873 CB THR A 58 -3.180 -7.527 -4.723 1.00 1.00 C ATOM 874 OG1 THR A 58 -2.011 -8.052 -5.335 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.419 -8.142 -5.380 1.00 1.00 C ATOM 0 H THR A 58 -1.697 -5.829 -3.430 1.00 1.00 H new ATOM 0 HA THR A 58 -3.273 -5.744 -5.944 1.00 1.00 H new ATOM 0 HB THR A 58 -3.180 -7.772 -3.661 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.995 -9.026 -5.228 1.00 1.00 H new ATOM 0 HG21 THR A 58 -4.396 -9.225 -5.258 1.00 1.00 H new ATOM 0 HG22 THR A 58 -5.317 -7.743 -4.908 1.00 1.00 H new ATOM 0 HG23 THR A 58 -4.427 -7.896 -6.442 1.00 1.00 H new ATOM 883 N PHE A 59 -5.477 -5.122 -4.869 1.00 1.00 N ATOM 884 CA PHE A 59 -6.696 -4.598 -4.233 1.00 1.00 C ATOM 885 C PHE A 59 -7.932 -4.991 -5.056 1.00 1.00 C ATOM 886 O PHE A 59 -7.829 -5.183 -6.269 1.00 1.00 O ATOM 887 CB PHE A 59 -6.617 -3.067 -4.111 1.00 1.00 C ATOM 888 CG PHE A 59 -6.804 -2.413 -5.474 1.00 1.00 C ATOM 889 CD1 PHE A 59 -5.702 -2.185 -6.310 1.00 1.00 C ATOM 890 CD2 PHE A 59 -8.089 -2.034 -5.896 1.00 1.00 C ATOM 891 CE1 PHE A 59 -5.886 -1.578 -7.559 1.00 1.00 C ATOM 892 CE2 PHE A 59 -8.265 -1.429 -7.143 1.00 1.00 C ATOM 893 CZ PHE A 59 -7.166 -1.198 -7.972 1.00 1.00 C ATOM 0 H PHE A 59 -5.530 -5.211 -5.884 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.780 -5.029 -3.235 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.383 -2.711 -3.422 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.653 -2.779 -3.692 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -4.712 -2.477 -5.991 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -8.941 -2.210 -5.256 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -5.037 -1.403 -8.204 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -9.254 -1.139 -7.466 1.00 1.00 H new ATOM 0 HZ PHE A 59 -7.305 -0.725 -8.933 1.00 1.00 H new ATOM 903 N ILE A 60 -9.095 -5.125 -4.394 1.00 1.00 N ATOM 904 CA ILE A 60 -10.346 -5.519 -5.073 1.00 1.00 C ATOM 905 C ILE A 60 -11.319 -4.347 -5.176 1.00 1.00 C ATOM 906 O ILE A 60 -11.591 -3.649 -4.200 1.00 1.00 O ATOM 907 CB ILE A 60 -11.008 -6.708 -4.310 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.431 -8.044 -4.818 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.543 -6.725 -4.512 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.896 -8.047 -4.724 1.00 1.00 C ATOM 0 H ILE A 60 -9.196 -4.967 -3.391 1.00 1.00 H new ATOM 0 HA ILE A 60 -10.099 -5.832 -6.087 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.793 -6.579 -3.249 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.837 -8.867 -4.231 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.737 -8.208 -5.851 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.972 -7.566 -3.967 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.970 -5.794 -4.138 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.769 -6.827 -5.573 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.511 -9.000 -5.088 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.493 -7.237 -5.331 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.595 -7.907 -3.686 1.00 1.00 H new ATOM 922 N ARG A 61 -11.853 -4.166 -6.384 1.00 1.00 N ATOM 923 CA ARG A 61 -12.827 -3.117 -6.657 1.00 1.00 C ATOM 924 C ARG A 61 -13.931 -3.671 -7.562 1.00 1.00 C ATOM 925 O ARG A 61 -13.667 -4.180 -8.648 1.00 1.00 O ATOM 926 CB ARG A 61 -12.121 -1.927 -7.308 1.00 1.00 C ATOM 927 CG ARG A 61 -13.140 -0.857 -7.720 1.00 1.00 C ATOM 928 CD ARG A 61 -12.402 0.356 -8.271 1.00 1.00 C ATOM 929 NE ARG A 61 -11.716 -0.013 -9.509 1.00 1.00 N ATOM 930 CZ ARG A 61 -12.357 -0.052 -10.675 1.00 1.00 C ATOM 931 NH1 ARG A 61 -13.621 0.273 -10.737 1.00 1.00 N ATOM 932 NH2 ARG A 61 -11.724 -0.417 -11.755 1.00 1.00 N ATOM 0 H ARG A 61 -11.622 -4.741 -7.195 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.285 -2.777 -5.728 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.398 -1.501 -6.612 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.563 -2.262 -8.182 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.820 -1.256 -8.473 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -13.748 -0.568 -6.863 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -13.104 1.168 -8.460 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -11.682 0.721 -7.538 1.00 1.00 H new ATOM 0 HE ARG A 61 -10.723 -0.246 -9.478 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -14.117 0.557 -9.892 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -14.112 0.243 -11.631 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -10.738 -0.673 -11.706 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -12.215 -0.447 -12.648 1.00 1.00 H new ATOM 946 N ASP A 62 -15.167 -3.548 -7.090 1.00 1.00 N ATOM 947 CA ASP A 62 -16.330 -4.020 -7.839 1.00 1.00 C ATOM 948 C ASP A 62 -16.110 -5.452 -8.315 1.00 1.00 C ATOM 949 O ASP A 62 -16.429 -5.770 -9.451 1.00 1.00 O ATOM 950 CB ASP A 62 -16.572 -3.113 -9.058 1.00 1.00 C ATOM 951 CG ASP A 62 -17.039 -1.731 -8.612 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.398 -1.591 -7.454 1.00 1.00 O ATOM 953 OD2 ASP A 62 -17.037 -0.833 -9.439 1.00 1.00 O ATOM 0 H ASP A 62 -15.391 -3.124 -6.190 1.00 1.00 H new ATOM 0 HA ASP A 62 -17.199 -3.990 -7.182 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.654 -3.023 -9.639 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.320 -3.563 -9.711 1.00 1.00 H new ATOM 958 N ARG A 63 -15.583 -6.313 -7.443 1.00 1.00 N ATOM 959 CA ARG A 63 -15.336 -7.716 -7.793 1.00 1.00 C ATOM 960 C ARG A 63 -14.182 -7.846 -8.790 1.00 1.00 C ATOM 961 O ARG A 63 -13.828 -8.958 -9.180 1.00 1.00 O ATOM 962 CB ARG A 63 -16.649 -8.379 -8.358 1.00 1.00 C ATOM 963 CG ARG A 63 -16.566 -8.688 -9.885 1.00 1.00 C ATOM 964 CD ARG A 63 -17.956 -8.975 -10.439 1.00 1.00 C ATOM 965 NE ARG A 63 -18.771 -7.768 -10.348 1.00 1.00 N ATOM 966 CZ ARG A 63 -18.637 -6.769 -11.221 1.00 1.00 C ATOM 967 NH1 ARG A 63 -17.755 -6.850 -12.183 1.00 1.00 N ATOM 968 NH2 ARG A 63 -19.379 -5.704 -11.105 1.00 1.00 N ATOM 0 H ARG A 63 -15.319 -6.065 -6.490 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.045 -8.246 -6.886 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.845 -9.304 -7.816 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.494 -7.716 -8.172 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.124 -7.842 -10.411 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.914 -9.545 -10.055 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.886 -9.303 -11.476 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.423 -9.786 -9.879 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.459 -7.687 -9.599 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -17.167 -7.679 -12.267 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -17.655 -6.084 -12.849 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -20.060 -5.637 -10.348 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -19.279 -4.938 -11.771 1.00 1.00 H new ATOM 982 N LYS A 64 -13.607 -6.718 -9.205 1.00 1.00 N ATOM 983 CA LYS A 64 -12.517 -6.730 -10.179 1.00 1.00 C ATOM 984 C LYS A 64 -11.197 -6.399 -9.514 1.00 1.00 C ATOM 985 O LYS A 64 -10.951 -5.254 -9.155 1.00 1.00 O ATOM 986 CB LYS A 64 -12.791 -5.689 -11.276 1.00 1.00 C ATOM 987 CG LYS A 64 -14.141 -5.964 -11.958 1.00 1.00 C ATOM 988 CD LYS A 64 -14.300 -5.075 -13.205 1.00 1.00 C ATOM 989 CE LYS A 64 -14.402 -3.588 -12.817 1.00 1.00 C ATOM 990 NZ LYS A 64 -14.910 -2.804 -13.982 1.00 1.00 N ATOM 0 H LYS A 64 -13.876 -5.788 -8.884 1.00 1.00 H new ATOM 0 HA LYS A 64 -12.459 -7.729 -10.612 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.793 -4.689 -10.843 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.992 -5.714 -12.017 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -14.206 -7.015 -12.241 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.955 -5.771 -11.259 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -13.450 -5.223 -13.871 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -15.192 -5.372 -13.756 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -15.071 -3.468 -11.965 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -13.425 -3.213 -12.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -14.979 -1.800 -13.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -14.255 -2.909 -14.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -15.850 -3.156 -14.254 1.00 1.00 H new ATOM 1004 N GLN A 65 -10.356 -7.413 -9.337 1.00 1.00 N ATOM 1005 CA GLN A 65 -9.058 -7.235 -8.710 1.00 1.00 C ATOM 1006 C GLN A 65 -8.063 -6.602 -9.668 1.00 1.00 C ATOM 1007 O GLN A 65 -8.085 -6.858 -10.871 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.534 -8.596 -8.225 1.00 1.00 C ATOM 1009 CG GLN A 65 -8.410 -9.586 -9.406 1.00 1.00 C ATOM 1010 CD GLN A 65 -7.157 -9.291 -10.228 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -6.147 -8.852 -9.681 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -7.168 -9.501 -11.515 1.00 1.00 N ATOM 0 H GLN A 65 -10.556 -8.372 -9.622 1.00 1.00 H new ATOM 0 HA GLN A 65 -9.174 -6.562 -7.860 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.562 -8.468 -7.748 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -9.208 -9.003 -7.472 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -8.371 -10.608 -9.028 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -9.293 -9.515 -10.041 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -8.008 -9.865 -11.965 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -6.337 -9.301 -12.071 1.00 1.00 H new ATOM 1021 N HIS A 66 -7.185 -5.775 -9.111 1.00 1.00 N ATOM 1022 CA HIS A 66 -6.153 -5.095 -9.902 1.00 1.00 C ATOM 1023 C HIS A 66 -4.939 -4.752 -9.041 1.00 1.00 C ATOM 1024 O HIS A 66 -5.066 -4.452 -7.851 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.707 -3.806 -10.506 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.843 -4.120 -11.431 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.650 -4.565 -12.728 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -9.194 -4.044 -11.254 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.867 -4.738 -13.280 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.844 -4.434 -12.421 1.00 1.00 N ATOM 0 H HIS A 66 -7.163 -5.556 -8.115 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.848 -5.775 -10.697 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -7.047 -3.140 -9.713 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.920 -3.281 -11.048 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.752 -4.731 -13.182 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.685 -3.729 -10.345 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -9.032 -5.080 -14.291 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.762 -4.807 -9.662 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.498 -4.512 -8.990 1.00 1.00 C ATOM 1041 C GLU A 67 -2.173 -3.022 -9.089 1.00 1.00 C ATOM 1042 O GLU A 67 -2.255 -2.425 -10.163 1.00 1.00 O ATOM 1043 CB GLU A 67 -1.361 -5.312 -9.644 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.548 -6.807 -9.370 1.00 1.00 C ATOM 1045 CD GLU A 67 -0.473 -7.616 -10.101 1.00 1.00 C ATOM 1046 OE1 GLU A 67 0.347 -7.011 -10.774 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -0.486 -8.828 -9.973 1.00 1.00 O ATOM 0 H GLU A 67 -3.658 -5.057 -10.645 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.595 -4.791 -7.941 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.348 -5.130 -10.719 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.399 -4.980 -9.253 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.491 -6.998 -8.298 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -2.538 -7.123 -9.698 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.810 -2.435 -7.950 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.472 -1.008 -7.861 1.00 1.00 C ATOM 1056 C ALA A 68 0.016 -0.817 -7.563 1.00 1.00 C ATOM 1057 O ALA A 68 0.539 -1.335 -6.576 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.296 -0.353 -6.743 1.00 1.00 C ATOM 0 H ALA A 68 -1.741 -2.931 -7.061 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.701 -0.542 -8.819 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -2.044 0.706 -6.678 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.358 -0.461 -6.963 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.071 -0.838 -5.793 1.00 1.00 H new ATOM 1064 N GLU A 69 0.672 -0.056 -8.427 1.00 1.00 N ATOM 1065 CA GLU A 69 2.100 0.239 -8.278 1.00 1.00 C ATOM 1066 C GLU A 69 2.292 1.350 -7.251 1.00 1.00 C ATOM 1067 O GLU A 69 2.071 2.525 -7.544 1.00 1.00 O ATOM 1068 CB GLU A 69 2.695 0.676 -9.621 1.00 1.00 C ATOM 1069 CG GLU A 69 2.640 -0.487 -10.622 1.00 1.00 C ATOM 1070 CD GLU A 69 1.198 -0.757 -11.039 1.00 1.00 C ATOM 1071 OE1 GLU A 69 0.382 0.141 -10.907 1.00 1.00 O ATOM 1072 OE2 GLU A 69 0.928 -1.860 -11.484 1.00 1.00 O ATOM 0 H GLU A 69 0.240 0.373 -9.245 1.00 1.00 H new ATOM 0 HA GLU A 69 2.611 -0.663 -7.940 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.142 1.530 -10.012 1.00 1.00 H new ATOM 0 HB3 GLU A 69 3.727 1.000 -9.483 1.00 1.00 H new ATOM 0 HG2 GLU A 69 3.241 -0.250 -11.500 1.00 1.00 H new ATOM 0 HG3 GLU A 69 3.070 -1.383 -10.174 1.00 1.00 H new ATOM 1079 N LEU A 70 2.688 0.959 -6.039 1.00 1.00 N ATOM 1080 CA LEU A 70 2.896 1.907 -4.938 1.00 1.00 C ATOM 1081 C LEU A 70 4.373 2.048 -4.622 1.00 1.00 C ATOM 1082 O LEU A 70 5.130 1.081 -4.690 1.00 1.00 O ATOM 1083 CB LEU A 70 2.145 1.421 -3.695 1.00 1.00 C ATOM 1084 CG LEU A 70 2.329 2.416 -2.500 1.00 1.00 C ATOM 1085 CD1 LEU A 70 0.992 2.642 -1.776 1.00 1.00 C ATOM 1086 CD2 LEU A 70 3.351 1.859 -1.492 1.00 1.00 C ATOM 0 H LEU A 70 2.873 -0.013 -5.792 1.00 1.00 H new ATOM 0 HA LEU A 70 2.513 2.882 -5.240 1.00 1.00 H new ATOM 0 HB2 LEU A 70 1.085 1.316 -3.925 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.508 0.434 -3.410 1.00 1.00 H new ATOM 0 HG LEU A 70 2.689 3.362 -2.904 1.00 1.00 H new ATOM 0 HD11 LEU A 70 1.139 3.336 -0.949 1.00 1.00 H new ATOM 0 HD12 LEU A 70 0.266 3.058 -2.474 1.00 1.00 H new ATOM 0 HD13 LEU A 70 0.622 1.692 -1.391 1.00 1.00 H new ATOM 0 HD21 LEU A 70 3.468 2.562 -0.667 1.00 1.00 H new ATOM 0 HD22 LEU A 70 2.998 0.903 -1.107 1.00 1.00 H new ATOM 0 HD23 LEU A 70 4.311 1.718 -1.988 1.00 1.00 H new ATOM 1098 N VAL A 71 4.775 3.273 -4.284 1.00 1.00 N ATOM 1099 CA VAL A 71 6.177 3.584 -3.958 1.00 1.00 C ATOM 1100 C VAL A 71 6.294 4.070 -2.514 1.00 1.00 C ATOM 1101 O VAL A 71 5.540 4.942 -2.078 1.00 1.00 O ATOM 1102 CB VAL A 71 6.705 4.679 -4.903 1.00 1.00 C ATOM 1103 CG1 VAL A 71 8.233 4.798 -4.778 1.00 1.00 C ATOM 1104 CG2 VAL A 71 6.332 4.325 -6.344 1.00 1.00 C ATOM 0 H VAL A 71 4.148 4.076 -4.227 1.00 1.00 H new ATOM 0 HA VAL A 71 6.768 2.676 -4.080 1.00 1.00 H new ATOM 0 HB VAL A 71 6.256 5.634 -4.631 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.594 5.576 -5.451 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.495 5.056 -3.752 1.00 1.00 H new ATOM 0 HG13 VAL A 71 8.695 3.847 -5.042 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.704 5.098 -7.017 1.00 1.00 H new ATOM 0 HG22 VAL A 71 6.778 3.367 -6.610 1.00 1.00 H new ATOM 0 HG23 VAL A 71 5.248 4.258 -6.433 1.00 1.00 H new ATOM 1114 N LEU A 72 7.233 3.494 -1.777 1.00 1.00 N ATOM 1115 CA LEU A 72 7.435 3.860 -0.384 1.00 1.00 C ATOM 1116 C LEU A 72 7.920 5.302 -0.260 1.00 1.00 C ATOM 1117 O LEU A 72 8.855 5.720 -0.942 1.00 1.00 O ATOM 1118 CB LEU A 72 8.484 2.909 0.232 1.00 1.00 C ATOM 1119 CG LEU A 72 7.852 1.549 0.595 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.816 1.698 1.747 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.181 0.948 -0.653 1.00 1.00 C ATOM 0 H LEU A 72 7.866 2.772 -2.121 1.00 1.00 H new ATOM 0 HA LEU A 72 6.485 3.775 0.144 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.301 2.758 -0.473 1.00 1.00 H new ATOM 0 HB3 LEU A 72 8.913 3.364 1.124 1.00 1.00 H new ATOM 0 HG LEU A 72 8.640 0.881 0.943 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.388 0.723 1.980 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.311 2.098 2.632 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.022 2.378 1.437 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.734 -0.013 -0.399 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.406 1.625 -1.011 1.00 1.00 H new ATOM 0 HD23 LEU A 72 7.927 0.805 -1.434 1.00 1.00 H new ATOM 1133 N LYS A 73 7.270 6.055 0.633 1.00 1.00 N ATOM 1134 CA LYS A 73 7.632 7.451 0.862 1.00 1.00 C ATOM 1135 C LYS A 73 7.447 7.833 2.348 1.00 1.00 C ATOM 1136 O LYS A 73 6.434 7.486 2.953 1.00 1.00 O ATOM 1137 CB LYS A 73 6.771 8.350 -0.020 1.00 1.00 C ATOM 1138 CG LYS A 73 5.289 8.238 0.376 1.00 1.00 C ATOM 1139 CD LYS A 73 4.410 8.845 -0.729 1.00 1.00 C ATOM 1140 CE LYS A 73 4.807 10.311 -0.983 1.00 1.00 C ATOM 1141 NZ LYS A 73 3.717 10.991 -1.736 1.00 1.00 N ATOM 0 H LYS A 73 6.495 5.720 1.205 1.00 1.00 H new ATOM 0 HA LYS A 73 8.683 7.586 0.606 1.00 1.00 H new ATOM 0 HB2 LYS A 73 7.101 9.385 0.074 1.00 1.00 H new ATOM 0 HB3 LYS A 73 6.896 8.070 -1.066 1.00 1.00 H new ATOM 0 HG2 LYS A 73 5.023 7.193 0.533 1.00 1.00 H new ATOM 0 HG3 LYS A 73 5.114 8.756 1.319 1.00 1.00 H new ATOM 0 HD2 LYS A 73 4.518 8.268 -1.647 1.00 1.00 H new ATOM 0 HD3 LYS A 73 3.361 8.790 -0.440 1.00 1.00 H new ATOM 0 HE2 LYS A 73 4.984 10.821 -0.036 1.00 1.00 H new ATOM 0 HE3 LYS A 73 5.738 10.355 -1.548 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 4.053 11.235 -2.689 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 2.897 10.355 -1.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 3.438 11.859 -1.235 1.00 1.00 H new ATOM 1155 N PRO A 74 8.400 8.533 2.954 1.00 1.00 N ATOM 1156 CA PRO A 74 8.315 8.945 4.393 1.00 1.00 C ATOM 1157 C PRO A 74 7.314 10.075 4.615 1.00 1.00 C ATOM 1158 O PRO A 74 6.789 10.647 3.659 1.00 1.00 O ATOM 1159 CB PRO A 74 9.753 9.390 4.724 1.00 1.00 C ATOM 1160 CG PRO A 74 10.290 9.901 3.426 1.00 1.00 C ATOM 1161 CD PRO A 74 9.661 9.015 2.347 1.00 1.00 C ATOM 0 HA PRO A 74 7.958 8.139 5.034 1.00 1.00 H new ATOM 0 HB2 PRO A 74 9.763 10.164 5.491 1.00 1.00 H new ATOM 0 HB3 PRO A 74 10.349 8.559 5.102 1.00 1.00 H new ATOM 0 HG2 PRO A 74 10.026 10.948 3.277 1.00 1.00 H new ATOM 0 HG3 PRO A 74 11.378 9.839 3.400 1.00 1.00 H new ATOM 0 HD2 PRO A 74 9.472 9.577 1.432 1.00 1.00 H new ATOM 0 HD3 PRO A 74 10.317 8.186 2.082 1.00 1.00 H new ATOM 1169 N PHE A 75 7.052 10.387 5.892 1.00 1.00 N ATOM 1170 CA PHE A 75 6.108 11.453 6.254 1.00 1.00 C ATOM 1171 C PHE A 75 6.851 12.671 6.842 1.00 1.00 C ATOM 1172 O PHE A 75 7.754 12.501 7.661 1.00 1.00 O ATOM 1173 CB PHE A 75 5.113 10.935 7.288 1.00 1.00 C ATOM 1174 CG PHE A 75 4.449 9.686 6.747 1.00 1.00 C ATOM 1175 CD1 PHE A 75 3.604 9.777 5.631 1.00 1.00 C ATOM 1176 CD2 PHE A 75 4.679 8.439 7.347 1.00 1.00 C ATOM 1177 CE1 PHE A 75 2.992 8.629 5.120 1.00 1.00 C ATOM 1178 CE2 PHE A 75 4.065 7.294 6.835 1.00 1.00 C ATOM 1179 CZ PHE A 75 3.222 7.387 5.722 1.00 1.00 C ATOM 0 H PHE A 75 7.480 9.917 6.690 1.00 1.00 H new ATOM 0 HA PHE A 75 5.583 11.760 5.350 1.00 1.00 H new ATOM 0 HB2 PHE A 75 5.624 10.714 8.225 1.00 1.00 H new ATOM 0 HB3 PHE A 75 4.364 11.696 7.505 1.00 1.00 H new ATOM 0 HD1 PHE A 75 3.426 10.735 5.166 1.00 1.00 H new ATOM 0 HD2 PHE A 75 5.331 8.364 8.205 1.00 1.00 H new ATOM 0 HE1 PHE A 75 2.342 8.701 4.261 1.00 1.00 H new ATOM 0 HE2 PHE A 75 4.241 6.335 7.299 1.00 1.00 H new ATOM 0 HZ PHE A 75 2.749 6.500 5.328 1.00 1.00 H new ATOM 1189 N PRO A 76 6.491 13.890 6.470 1.00 1.00 N ATOM 1190 CA PRO A 76 7.155 15.117 7.017 1.00 1.00 C ATOM 1191 C PRO A 76 7.262 15.087 8.547 1.00 1.00 C ATOM 1192 O PRO A 76 8.270 15.509 9.113 1.00 1.00 O ATOM 1193 CB PRO A 76 6.240 16.275 6.552 1.00 1.00 C ATOM 1194 CG PRO A 76 5.528 15.763 5.334 1.00 1.00 C ATOM 1195 CD PRO A 76 5.436 14.237 5.489 1.00 1.00 C ATOM 0 HA PRO A 76 8.182 15.213 6.664 1.00 1.00 H new ATOM 0 HB2 PRO A 76 5.531 16.552 7.333 1.00 1.00 H new ATOM 0 HB3 PRO A 76 6.823 17.166 6.320 1.00 1.00 H new ATOM 0 HG2 PRO A 76 4.535 16.205 5.251 1.00 1.00 H new ATOM 0 HG3 PRO A 76 6.071 16.028 4.427 1.00 1.00 H new ATOM 0 HD2 PRO A 76 4.451 13.935 5.844 1.00 1.00 H new ATOM 0 HD3 PRO A 76 5.600 13.732 4.537 1.00 1.00 H new ATOM 1203 N HIS A 77 6.210 14.606 9.205 1.00 1.00 N ATOM 1204 CA HIS A 77 6.194 14.535 10.665 1.00 1.00 C ATOM 1205 C HIS A 77 7.104 13.412 11.155 1.00 1.00 C ATOM 1206 O HIS A 77 7.797 13.555 12.164 1.00 1.00 O ATOM 1207 CB HIS A 77 4.762 14.289 11.156 1.00 1.00 C ATOM 1208 CG HIS A 77 3.910 15.490 10.843 1.00 1.00 C ATOM 1209 ND1 HIS A 77 3.820 16.016 9.564 1.00 1.00 N ATOM 1210 CD2 HIS A 77 3.106 16.277 11.630 1.00 1.00 C ATOM 1211 CE1 HIS A 77 2.991 17.072 9.617 1.00 1.00 C ATOM 1212 NE2 HIS A 77 2.526 17.275 10.854 1.00 1.00 N ATOM 0 H HIS A 77 5.362 14.261 8.755 1.00 1.00 H new ATOM 0 HA HIS A 77 6.559 15.481 11.064 1.00 1.00 H new ATOM 0 HB2 HIS A 77 4.349 13.402 10.676 1.00 1.00 H new ATOM 0 HB3 HIS A 77 4.762 14.100 12.229 1.00 1.00 H new ATOM 0 HD2 HIS A 77 2.948 16.142 12.690 1.00 1.00 H new ATOM 0 HE1 HIS A 77 2.732 17.682 8.764 1.00 1.00 H new ATOM 0 HE2 HIS A 77 1.884 18.005 11.162 1.00 1.00 H new ATOM 1221 N HIS A 78 7.093 12.288 10.431 1.00 1.00 N ATOM 1222 CA HIS A 78 7.912 11.115 10.777 1.00 1.00 C ATOM 1223 C HIS A 78 8.890 10.804 9.638 1.00 1.00 C ATOM 1224 O HIS A 78 8.730 9.805 8.935 1.00 1.00 O ATOM 1225 CB HIS A 78 6.992 9.915 11.024 1.00 1.00 C ATOM 1226 CG HIS A 78 5.895 10.327 11.968 1.00 1.00 C ATOM 1227 ND1 HIS A 78 4.579 10.465 11.558 1.00 1.00 N ATOM 1228 CD2 HIS A 78 5.907 10.637 13.305 1.00 1.00 C ATOM 1229 CE1 HIS A 78 3.857 10.840 12.631 1.00 1.00 C ATOM 1230 NE2 HIS A 78 4.618 10.960 13.722 1.00 1.00 N ATOM 0 H HIS A 78 6.522 12.163 9.595 1.00 1.00 H new ATOM 0 HA HIS A 78 8.486 11.324 11.680 1.00 1.00 H new ATOM 0 HB2 HIS A 78 6.568 9.566 10.083 1.00 1.00 H new ATOM 0 HB3 HIS A 78 7.560 9.085 11.445 1.00 1.00 H new ATOM 0 HD2 HIS A 78 6.783 10.631 13.937 1.00 1.00 H new ATOM 0 HE1 HIS A 78 2.793 11.022 12.612 1.00 1.00 H new ATOM 0 HE2 HIS A 78 4.319 11.230 14.659 1.00 1.00 H new ATOM 1239 N PRO A 79 9.892 11.641 9.427 1.00 1.00 N ATOM 1240 CA PRO A 79 10.888 11.430 8.330 1.00 1.00 C ATOM 1241 C PRO A 79 11.678 10.136 8.520 1.00 1.00 C ATOM 1242 O PRO A 79 12.118 9.517 7.552 1.00 1.00 O ATOM 1243 CB PRO A 79 11.801 12.682 8.395 1.00 1.00 C ATOM 1244 CG PRO A 79 11.620 13.225 9.783 1.00 1.00 C ATOM 1245 CD PRO A 79 10.187 12.869 10.196 1.00 1.00 C ATOM 0 HA PRO A 79 10.411 11.320 7.356 1.00 1.00 H new ATOM 0 HB2 PRO A 79 12.842 12.421 8.206 1.00 1.00 H new ATOM 0 HB3 PRO A 79 11.516 13.418 7.643 1.00 1.00 H new ATOM 0 HG2 PRO A 79 12.344 12.787 10.470 1.00 1.00 H new ATOM 0 HG3 PRO A 79 11.774 14.304 9.803 1.00 1.00 H new ATOM 0 HD2 PRO A 79 10.112 12.696 11.270 1.00 1.00 H new ATOM 0 HD3 PRO A 79 9.490 13.671 9.952 1.00 1.00 H new ATOM 1253 N ASN A 80 11.859 9.735 9.776 1.00 1.00 N ATOM 1254 CA ASN A 80 12.601 8.518 10.098 1.00 1.00 C ATOM 1255 C ASN A 80 11.671 7.310 10.066 1.00 1.00 C ATOM 1256 O ASN A 80 11.923 6.305 10.734 1.00 1.00 O ATOM 1257 CB ASN A 80 13.207 8.655 11.500 1.00 1.00 C ATOM 1258 CG ASN A 80 14.313 9.707 11.498 1.00 1.00 C ATOM 1259 OD1 ASN A 80 14.866 10.024 10.444 1.00 1.00 O ATOM 1260 ND2 ASN A 80 14.665 10.271 12.620 1.00 1.00 N ATOM 0 H ASN A 80 11.501 10.236 10.589 1.00 1.00 H new ATOM 0 HA ASN A 80 13.392 8.376 9.361 1.00 1.00 H new ATOM 0 HB2 ASN A 80 12.431 8.934 12.213 1.00 1.00 H new ATOM 0 HB3 ASN A 80 13.609 7.695 11.825 1.00 1.00 H new ATOM 0 HD21 ASN A 80 15.401 10.977 12.627 1.00 1.00 H new ATOM 0 HD22 ASN A 80 14.205 10.006 13.491 1.00 1.00 H new ATOM 1267 N GLN A 81 10.593 7.410 9.288 1.00 1.00 N ATOM 1268 CA GLN A 81 9.626 6.316 9.173 1.00 1.00 C ATOM 1269 C GLN A 81 9.086 6.254 7.752 1.00 1.00 C ATOM 1270 O GLN A 81 9.010 7.273 7.063 1.00 1.00 O ATOM 1271 CB GLN A 81 8.474 6.533 10.158 1.00 1.00 C ATOM 1272 CG GLN A 81 7.569 5.299 10.179 1.00 1.00 C ATOM 1273 CD GLN A 81 6.458 5.494 11.201 1.00 1.00 C ATOM 1274 OE1 GLN A 81 6.546 6.375 12.055 1.00 1.00 O ATOM 1275 NE2 GLN A 81 5.411 4.716 11.167 1.00 1.00 N ATOM 0 H GLN A 81 10.367 8.233 8.730 1.00 1.00 H new ATOM 0 HA GLN A 81 10.122 5.375 9.409 1.00 1.00 H new ATOM 0 HB2 GLN A 81 8.868 6.723 11.156 1.00 1.00 H new ATOM 0 HB3 GLN A 81 7.898 7.413 9.870 1.00 1.00 H new ATOM 0 HG2 GLN A 81 7.141 5.133 9.190 1.00 1.00 H new ATOM 0 HG3 GLN A 81 8.153 4.412 10.427 1.00 1.00 H new ATOM 0 HE21 GLN A 81 5.341 3.986 10.458 1.00 1.00 H new ATOM 0 HE22 GLN A 81 4.663 4.838 11.850 1.00 1.00 H new ATOM 1284 N ILE A 82 8.729 5.045 7.314 1.00 1.00 N ATOM 1285 CA ILE A 82 8.209 4.821 5.954 1.00 1.00 C ATOM 1286 C ILE A 82 6.842 4.140 6.021 1.00 1.00 C ATOM 1287 O ILE A 82 6.631 3.235 6.829 1.00 1.00 O ATOM 1288 CB ILE A 82 9.205 3.935 5.130 1.00 1.00 C ATOM 1289 CG1 ILE A 82 10.618 3.951 5.766 1.00 1.00 C ATOM 1290 CG2 ILE A 82 9.314 4.442 3.682 1.00 1.00 C ATOM 1291 CD1 ILE A 82 11.243 5.361 5.739 1.00 1.00 C ATOM 0 H ILE A 82 8.789 4.199 7.881 1.00 1.00 H new ATOM 0 HA ILE A 82 8.103 5.786 5.458 1.00 1.00 H new ATOM 0 HB ILE A 82 8.815 2.917 5.136 1.00 1.00 H new ATOM 0 HG12 ILE A 82 10.557 3.600 6.796 1.00 1.00 H new ATOM 0 HG13 ILE A 82 11.265 3.256 5.231 1.00 1.00 H new ATOM 0 HG21 ILE A 82 10.010 3.813 3.128 1.00 1.00 H new ATOM 0 HG22 ILE A 82 8.333 4.403 3.208 1.00 1.00 H new ATOM 0 HG23 ILE A 82 9.676 5.470 3.683 1.00 1.00 H new ATOM 0 HD11 ILE A 82 12.233 5.329 6.194 1.00 1.00 H new ATOM 0 HD12 ILE A 82 11.329 5.701 4.707 1.00 1.00 H new ATOM 0 HD13 ILE A 82 10.609 6.051 6.297 1.00 1.00 H new ATOM 1303 N GLY A 83 5.919 4.579 5.165 1.00 1.00 N ATOM 1304 CA GLY A 83 4.572 4.003 5.126 1.00 1.00 C ATOM 1305 C GLY A 83 3.965 4.152 3.736 1.00 1.00 C ATOM 1306 O GLY A 83 4.614 4.659 2.819 1.00 1.00 O ATOM 0 H GLY A 83 6.077 5.328 4.491 1.00 1.00 H new ATOM 0 HA2 GLY A 83 4.613 2.949 5.400 1.00 1.00 H new ATOM 0 HA3 GLY A 83 3.937 4.498 5.861 1.00 1.00 H new ATOM 1310 N LEU A 84 2.728 3.684 3.574 1.00 1.00 N ATOM 1311 CA LEU A 84 2.075 3.751 2.272 1.00 1.00 C ATOM 1312 C LEU A 84 1.767 5.202 1.909 1.00 1.00 C ATOM 1313 O LEU A 84 2.579 5.870 1.266 1.00 1.00 O ATOM 1314 CB LEU A 84 0.765 2.951 2.331 1.00 1.00 C ATOM 1315 CG LEU A 84 1.056 1.444 2.483 1.00 1.00 C ATOM 1316 CD1 LEU A 84 1.702 1.133 3.857 1.00 1.00 C ATOM 1317 CD2 LEU A 84 -0.262 0.664 2.343 1.00 1.00 C ATOM 0 H LEU A 84 2.168 3.262 4.315 1.00 1.00 H new ATOM 0 HA LEU A 84 2.738 3.332 1.514 1.00 1.00 H new ATOM 0 HB2 LEU A 84 0.159 3.296 3.169 1.00 1.00 H new ATOM 0 HB3 LEU A 84 0.185 3.125 1.425 1.00 1.00 H new ATOM 0 HG LEU A 84 1.758 1.144 1.705 1.00 1.00 H new ATOM 0 HD11 LEU A 84 1.895 0.063 3.934 1.00 1.00 H new ATOM 0 HD12 LEU A 84 2.641 1.679 3.950 1.00 1.00 H new ATOM 0 HD13 LEU A 84 1.025 1.438 4.655 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -0.066 -0.403 2.449 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -0.958 0.984 3.118 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -0.697 0.857 1.362 1.00 1.00 H new ATOM 1329 N GLY A 85 0.592 5.693 2.306 1.00 1.00 N ATOM 1330 CA GLY A 85 0.209 7.065 1.992 1.00 1.00 C ATOM 1331 C GLY A 85 -1.209 7.366 2.495 1.00 1.00 C ATOM 1332 O GLY A 85 -1.642 8.514 2.507 1.00 1.00 O ATOM 0 H GLY A 85 -0.101 5.167 2.839 1.00 1.00 H new ATOM 0 HA2 GLY A 85 0.916 7.758 2.449 1.00 1.00 H new ATOM 0 HA3 GLY A 85 0.258 7.223 0.915 1.00 1.00 H new ATOM 1336 N VAL A 86 -1.930 6.319 2.914 1.00 1.00 N ATOM 1337 CA VAL A 86 -3.312 6.464 3.414 1.00 1.00 C ATOM 1338 C VAL A 86 -3.347 6.255 4.922 1.00 1.00 C ATOM 1339 O VAL A 86 -2.346 5.865 5.524 1.00 1.00 O ATOM 1340 CB VAL A 86 -4.225 5.457 2.706 1.00 1.00 C ATOM 1341 CG1 VAL A 86 -4.081 5.646 1.189 1.00 1.00 C ATOM 1342 CG2 VAL A 86 -3.834 4.022 3.084 1.00 1.00 C ATOM 0 H VAL A 86 -1.583 5.360 2.919 1.00 1.00 H new ATOM 0 HA VAL A 86 -3.670 7.471 3.200 1.00 1.00 H new ATOM 0 HB VAL A 86 -5.257 5.626 3.012 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -4.725 4.936 0.671 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -4.371 6.662 0.920 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -3.045 5.475 0.898 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -4.492 3.319 2.573 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -2.802 3.836 2.786 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -3.930 3.891 4.162 1.00 1.00 H new ATOM 1352 N THR A 87 -4.498 6.526 5.541 1.00 1.00 N ATOM 1353 CA THR A 87 -4.648 6.378 6.991 1.00 1.00 C ATOM 1354 C THR A 87 -5.074 4.955 7.347 1.00 1.00 C ATOM 1355 O THR A 87 -5.640 4.295 6.491 1.00 1.00 O ATOM 1356 CB THR A 87 -5.703 7.372 7.483 1.00 1.00 C ATOM 1357 OG1 THR A 87 -5.342 8.682 7.067 1.00 1.00 O ATOM 1358 CG2 THR A 87 -5.793 7.327 9.010 1.00 1.00 C ATOM 0 H THR A 87 -5.339 6.849 5.062 1.00 1.00 H new ATOM 0 HA THR A 87 -3.691 6.578 7.472 1.00 1.00 H new ATOM 0 HB THR A 87 -6.673 7.106 7.062 1.00 1.00 H new ATOM 0 HG1 THR A 87 -6.016 9.322 7.379 1.00 1.00 H new ATOM 0 HG21 THR A 87 -6.546 8.037 9.351 1.00 1.00 H new ATOM 0 HG22 THR A 87 -6.071 6.322 9.329 1.00 1.00 H new ATOM 0 HG23 THR A 87 -4.826 7.589 9.439 1.00 1.00 H new TER 1366 THR A 87