USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= -0.473 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.706 K(o=-1.2,f=-2) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.125 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 29:sc= 0.0553 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 57:sc= 1.1 USER MOD Single : A 19 SER OG : rot 160:sc= -0.155 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -111:sc= -1.97 (180deg=-5.09!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 54 SER OG : rot 97:sc= 0.524 USER MOD Single : A 58 THR OG1 : rot -70:sc= 0.536 USER MOD Single : A 59 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.31) USER MOD Single : A 65 ASN : amide:sc= -0.225 K(o=-0.23,f=-3!) USER MOD Single : A 68 GLN : amide:sc= -0.997 X(o=-1,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.089 -0.723 -1.592 1.00 0.00 N ATOM 2 CA GLY A 1 -19.678 -0.834 -0.268 1.00 0.00 C ATOM 3 C GLY A 1 -19.097 -2.028 0.492 1.00 0.00 C ATOM 4 O GLY A 1 -18.184 -2.693 0.006 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.746 0.248 -1.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.293 -1.388 -1.675 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.806 -0.949 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.496 0.083 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.759 -0.945 -0.355 1.00 0.00 H new ATOM 8 N SER A 2 -19.650 -2.263 1.673 1.00 0.00 N ATOM 9 CA SER A 2 -19.197 -3.365 2.505 1.00 0.00 C ATOM 10 C SER A 2 -19.241 -4.672 1.712 1.00 0.00 C ATOM 11 O SER A 2 -19.994 -4.792 0.747 1.00 0.00 O ATOM 12 CB SER A 2 -20.048 -3.484 3.772 1.00 0.00 C ATOM 13 OG SER A 2 -21.249 -4.214 3.541 1.00 0.00 O ATOM 0 H SER A 2 -20.407 -1.709 2.073 1.00 0.00 H new ATOM 0 HA SER A 2 -18.169 -3.165 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.469 -3.977 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.294 -2.487 4.138 1.00 0.00 H new ATOM 0 HG SER A 2 -21.763 -4.269 4.373 1.00 0.00 H new ATOM 19 N GLU A 3 -18.423 -5.619 2.148 1.00 0.00 N ATOM 20 CA GLU A 3 -18.359 -6.913 1.490 1.00 0.00 C ATOM 21 C GLU A 3 -18.076 -8.015 2.514 1.00 0.00 C ATOM 22 O GLU A 3 -17.374 -7.788 3.498 1.00 0.00 O ATOM 23 CB GLU A 3 -17.306 -6.913 0.380 1.00 0.00 C ATOM 24 CG GLU A 3 -17.801 -6.139 -0.844 1.00 0.00 C ATOM 25 CD GLU A 3 -19.078 -6.764 -1.408 1.00 0.00 C ATOM 26 OE1 GLU A 3 -19.139 -8.013 -1.427 1.00 0.00 O ATOM 27 OE2 GLU A 3 -19.965 -5.979 -1.807 1.00 0.00 O ATOM 0 H GLU A 3 -17.799 -5.516 2.949 1.00 0.00 H new ATOM 0 HA GLU A 3 -19.326 -7.112 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.383 -6.466 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.072 -7.939 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.990 -5.101 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.027 -6.130 -1.611 1.00 0.00 H new ATOM 34 N GLY A 4 -18.638 -9.185 2.246 1.00 0.00 N ATOM 35 CA GLY A 4 -18.455 -10.323 3.131 1.00 0.00 C ATOM 36 C GLY A 4 -19.178 -11.559 2.592 1.00 0.00 C ATOM 37 O GLY A 4 -20.188 -11.439 1.902 1.00 0.00 O ATOM 0 H GLY A 4 -19.220 -9.369 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.392 -10.537 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.833 -10.080 4.124 1.00 0.00 H new ATOM 41 N ALA A 5 -18.631 -12.718 2.928 1.00 0.00 N ATOM 42 CA ALA A 5 -19.212 -13.975 2.487 1.00 0.00 C ATOM 43 C ALA A 5 -18.448 -15.137 3.126 1.00 0.00 C ATOM 44 O ALA A 5 -17.227 -15.082 3.260 1.00 0.00 O ATOM 45 CB ALA A 5 -19.193 -14.036 0.958 1.00 0.00 C ATOM 0 H ALA A 5 -17.792 -12.813 3.500 1.00 0.00 H new ATOM 0 HA ALA A 5 -20.252 -14.050 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.629 -14.978 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.772 -13.206 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.164 -13.967 0.604 1.00 0.00 H new ATOM 51 N ALA A 6 -19.200 -16.160 3.504 1.00 0.00 N ATOM 52 CA ALA A 6 -18.610 -17.333 4.126 1.00 0.00 C ATOM 53 C ALA A 6 -17.525 -17.900 3.208 1.00 0.00 C ATOM 54 O ALA A 6 -17.437 -17.526 2.040 1.00 0.00 O ATOM 55 CB ALA A 6 -19.706 -18.355 4.433 1.00 0.00 C ATOM 0 H ALA A 6 -20.213 -16.201 3.391 1.00 0.00 H new ATOM 0 HA ALA A 6 -18.137 -17.069 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -19.263 -19.235 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -20.436 -17.913 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -20.202 -18.646 3.507 1.00 0.00 H new ATOM 61 N THR A 7 -16.726 -18.794 3.772 1.00 0.00 N ATOM 62 CA THR A 7 -15.651 -19.417 3.018 1.00 0.00 C ATOM 63 C THR A 7 -14.633 -18.365 2.573 1.00 0.00 C ATOM 64 O THR A 7 -15.007 -17.260 2.183 1.00 0.00 O ATOM 65 CB THR A 7 -16.275 -20.190 1.855 1.00 0.00 C ATOM 66 OG1 THR A 7 -16.975 -21.259 2.484 1.00 0.00 O ATOM 67 CG2 THR A 7 -15.226 -20.890 0.988 1.00 0.00 C ATOM 0 H THR A 7 -16.801 -19.102 4.742 1.00 0.00 H new ATOM 0 HA THR A 7 -15.094 -20.123 3.633 1.00 0.00 H new ATOM 0 HB THR A 7 -16.860 -19.508 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 7 -17.412 -21.810 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.722 -21.424 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.545 -20.148 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.663 -21.597 1.597 1.00 0.00 H new ATOM 75 N MET A 8 -13.366 -18.746 2.646 1.00 0.00 N ATOM 76 CA MET A 8 -12.291 -17.849 2.255 1.00 0.00 C ATOM 77 C MET A 8 -12.287 -16.588 3.122 1.00 0.00 C ATOM 78 O MET A 8 -13.250 -16.320 3.839 1.00 0.00 O ATOM 79 CB MET A 8 -12.461 -17.458 0.786 1.00 0.00 C ATOM 80 CG MET A 8 -11.416 -18.151 -0.090 1.00 0.00 C ATOM 81 SD MET A 8 -11.414 -17.431 -1.723 1.00 0.00 S ATOM 82 CE MET A 8 -12.696 -18.405 -2.493 1.00 0.00 C ATOM 0 H MET A 8 -13.060 -19.663 2.970 1.00 0.00 H new ATOM 0 HA MET A 8 -11.342 -18.367 2.395 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.461 -17.728 0.448 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.370 -16.377 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.429 -18.053 0.361 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.632 -19.217 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.826 -18.084 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.415 -19.458 -2.473 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.632 -18.269 -1.950 1.00 0.00 H new ATOM 92 N SER A 9 -11.192 -15.848 3.028 1.00 0.00 N ATOM 93 CA SER A 9 -11.050 -14.622 3.794 1.00 0.00 C ATOM 94 C SER A 9 -10.203 -13.613 3.015 1.00 0.00 C ATOM 95 O SER A 9 -9.073 -13.911 2.632 1.00 0.00 O ATOM 96 CB SER A 9 -10.422 -14.897 5.162 1.00 0.00 C ATOM 97 OG SER A 9 -11.404 -15.208 6.147 1.00 0.00 O ATOM 0 H SER A 9 -10.395 -16.074 2.433 1.00 0.00 H new ATOM 0 HA SER A 9 -12.043 -14.204 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.718 -15.725 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.852 -14.025 5.481 1.00 0.00 H new ATOM 0 HG SER A 9 -12.180 -15.623 5.716 1.00 0.00 H new ATOM 103 N LYS A 10 -10.783 -12.440 2.805 1.00 0.00 N ATOM 104 CA LYS A 10 -10.096 -11.386 2.078 1.00 0.00 C ATOM 105 C LYS A 10 -9.730 -10.260 3.047 1.00 0.00 C ATOM 106 O LYS A 10 -10.224 -10.220 4.173 1.00 0.00 O ATOM 107 CB LYS A 10 -10.935 -10.923 0.886 1.00 0.00 C ATOM 108 CG LYS A 10 -10.587 -11.721 -0.372 1.00 0.00 C ATOM 109 CD LYS A 10 -10.899 -10.917 -1.636 1.00 0.00 C ATOM 110 CE LYS A 10 -10.979 -11.830 -2.861 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.676 -11.146 -3.973 1.00 0.00 N ATOM 0 H LYS A 10 -11.720 -12.197 3.125 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.163 -11.760 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.994 -11.041 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.764 -9.862 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.530 -11.987 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.150 -12.654 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.843 -10.387 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.128 -10.162 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.975 -12.116 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.507 -12.748 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.721 -11.780 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.640 -10.895 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.157 -10.282 -4.229 1.00 0.00 H new ATOM 125 N VAL A 11 -8.868 -9.372 2.574 1.00 0.00 N ATOM 126 CA VAL A 11 -8.431 -8.248 3.385 1.00 0.00 C ATOM 127 C VAL A 11 -8.450 -6.975 2.537 1.00 0.00 C ATOM 128 O VAL A 11 -7.817 -6.917 1.483 1.00 0.00 O ATOM 129 CB VAL A 11 -7.056 -8.542 3.990 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.166 -9.554 5.132 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.078 -9.029 2.919 1.00 0.00 C ATOM 0 H VAL A 11 -8.460 -9.408 1.640 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.113 -8.093 4.221 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.665 -7.612 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.176 -9.746 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.813 -9.153 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.588 -10.485 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.109 -9.231 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.462 -9.942 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.965 -8.262 2.153 1.00 0.00 H new ATOM 141 N SER A 12 -9.182 -5.986 3.028 1.00 0.00 N ATOM 142 CA SER A 12 -9.292 -4.717 2.328 1.00 0.00 C ATOM 143 C SER A 12 -8.201 -3.758 2.809 1.00 0.00 C ATOM 144 O SER A 12 -7.961 -3.637 4.009 1.00 0.00 O ATOM 145 CB SER A 12 -10.674 -4.094 2.531 1.00 0.00 C ATOM 146 OG SER A 12 -10.805 -3.493 3.817 1.00 0.00 O ATOM 0 H SER A 12 -9.705 -6.038 3.902 1.00 0.00 H new ATOM 0 HA SER A 12 -9.160 -4.902 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.850 -3.343 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.439 -4.861 2.410 1.00 0.00 H new ATOM 0 HG SER A 12 -11.700 -3.105 3.907 1.00 0.00 H new ATOM 152 N PHE A 13 -7.570 -3.100 1.847 1.00 0.00 N ATOM 153 CA PHE A 13 -6.511 -2.156 2.157 1.00 0.00 C ATOM 154 C PHE A 13 -6.920 -0.730 1.782 1.00 0.00 C ATOM 155 O PHE A 13 -7.297 -0.469 0.641 1.00 0.00 O ATOM 156 CB PHE A 13 -5.293 -2.560 1.324 1.00 0.00 C ATOM 157 CG PHE A 13 -5.047 -4.069 1.274 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.765 -4.847 0.420 1.00 0.00 C ATOM 159 CD2 PHE A 13 -4.110 -4.633 2.083 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.536 -6.248 0.373 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.882 -6.034 2.036 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.600 -6.812 1.182 1.00 0.00 C ATOM 0 H PHE A 13 -7.772 -3.203 0.853 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.297 -2.175 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.422 -2.189 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.408 -2.071 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.509 -4.400 -0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.540 -4.015 2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.106 -6.866 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.138 -6.482 2.679 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.427 -7.877 1.147 1.00 0.00 H new ATOM 172 N LYS A 14 -6.832 0.155 2.764 1.00 0.00 N ATOM 173 CA LYS A 14 -7.189 1.547 2.551 1.00 0.00 C ATOM 174 C LYS A 14 -5.913 2.384 2.435 1.00 0.00 C ATOM 175 O LYS A 14 -5.345 2.800 3.444 1.00 0.00 O ATOM 176 CB LYS A 14 -8.142 2.029 3.646 1.00 0.00 C ATOM 177 CG LYS A 14 -9.429 2.596 3.042 1.00 0.00 C ATOM 178 CD LYS A 14 -10.062 3.633 3.973 1.00 0.00 C ATOM 179 CE LYS A 14 -11.552 3.802 3.673 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.886 5.233 3.495 1.00 0.00 N ATOM 0 H LYS A 14 -6.519 -0.065 3.709 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.733 1.662 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.383 1.202 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.652 2.793 4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.211 3.054 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.136 1.787 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.929 3.325 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.553 4.590 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.813 3.247 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.143 3.383 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.901 5.330 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.656 5.754 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.336 5.622 2.703 1.00 0.00 H new ATOM 194 N ILE A 15 -5.500 2.605 1.196 1.00 0.00 N ATOM 195 CA ILE A 15 -4.302 3.385 0.934 1.00 0.00 C ATOM 196 C ILE A 15 -4.696 4.720 0.300 1.00 0.00 C ATOM 197 O ILE A 15 -5.785 4.850 -0.256 1.00 0.00 O ATOM 198 CB ILE A 15 -3.308 2.576 0.098 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.069 1.196 0.713 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.003 3.348 -0.102 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.888 0.134 -0.374 1.00 0.00 C ATOM 0 H ILE A 15 -5.974 2.258 0.362 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.786 3.615 1.866 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.742 2.418 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.184 1.226 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.911 0.928 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.315 2.750 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.210 4.286 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.553 3.559 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.720 -0.837 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.784 0.090 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.031 0.392 -0.996 1.00 0.00 H new ATOM 213 N THR A 16 -3.788 5.679 0.404 1.00 0.00 N ATOM 214 CA THR A 16 -4.026 7.000 -0.152 1.00 0.00 C ATOM 215 C THR A 16 -2.793 7.489 -0.914 1.00 0.00 C ATOM 216 O THR A 16 -1.666 7.329 -0.446 1.00 0.00 O ATOM 217 CB THR A 16 -4.442 7.927 0.991 1.00 0.00 C ATOM 218 OG1 THR A 16 -5.812 7.608 1.217 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.466 9.399 0.573 1.00 0.00 C ATOM 0 H THR A 16 -2.885 5.567 0.866 1.00 0.00 H new ATOM 0 HA THR A 16 -4.834 6.981 -0.884 1.00 0.00 H new ATOM 0 HB THR A 16 -3.756 7.799 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.161 8.163 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.768 10.013 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.472 9.700 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.176 9.534 -0.243 1.00 0.00 H new ATOM 227 N LEU A 17 -3.047 8.076 -2.074 1.00 0.00 N ATOM 228 CA LEU A 17 -1.971 8.589 -2.905 1.00 0.00 C ATOM 229 C LEU A 17 -1.552 9.969 -2.393 1.00 0.00 C ATOM 230 O LEU A 17 -2.373 10.881 -2.312 1.00 0.00 O ATOM 231 CB LEU A 17 -2.380 8.578 -4.379 1.00 0.00 C ATOM 232 CG LEU A 17 -1.352 9.139 -5.364 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.088 8.278 -5.387 1.00 0.00 C ATOM 234 CD2 LEU A 17 -1.961 9.300 -6.759 1.00 0.00 C ATOM 0 H LEU A 17 -3.983 8.208 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.096 7.943 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.605 7.551 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.303 9.148 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.059 10.132 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.626 8.699 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.357 8.258 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.345 7.263 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.210 9.700 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.300 8.330 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.808 9.985 -6.710 1.00 0.00 H new ATOM 246 N THR A 18 -0.274 10.078 -2.061 1.00 0.00 N ATOM 247 CA THR A 18 0.264 11.331 -1.559 1.00 0.00 C ATOM 248 C THR A 18 1.097 12.025 -2.639 1.00 0.00 C ATOM 249 O THR A 18 2.317 12.127 -2.518 1.00 0.00 O ATOM 250 CB THR A 18 1.054 11.030 -0.284 1.00 0.00 C ATOM 251 OG1 THR A 18 2.183 10.290 -0.741 1.00 0.00 O ATOM 252 CG2 THR A 18 0.321 10.057 0.643 1.00 0.00 C ATOM 0 H THR A 18 0.404 9.319 -2.130 1.00 0.00 H new ATOM 0 HA THR A 18 -0.533 12.030 -1.308 1.00 0.00 H new ATOM 0 HB THR A 18 1.251 11.960 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.672 10.817 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.925 9.877 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.638 10.485 0.936 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.153 9.114 0.122 1.00 0.00 H new ATOM 260 N SER A 19 0.404 12.483 -3.672 1.00 0.00 N ATOM 261 CA SER A 19 1.064 13.164 -4.773 1.00 0.00 C ATOM 262 C SER A 19 0.224 14.359 -5.228 1.00 0.00 C ATOM 263 O SER A 19 0.607 15.508 -5.018 1.00 0.00 O ATOM 264 CB SER A 19 1.309 12.210 -5.943 1.00 0.00 C ATOM 265 OG SER A 19 0.090 11.727 -6.502 1.00 0.00 O ATOM 0 H SER A 19 -0.608 12.396 -3.769 1.00 0.00 H new ATOM 0 HA SER A 19 2.032 13.522 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.884 12.722 -6.714 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.911 11.367 -5.604 1.00 0.00 H new ATOM 0 HG SER A 19 0.255 11.397 -7.410 1.00 0.00 H new ATOM 271 N ASP A 20 -0.906 14.045 -5.845 1.00 0.00 N ATOM 272 CA ASP A 20 -1.804 15.079 -6.332 1.00 0.00 C ATOM 273 C ASP A 20 -2.551 15.699 -5.149 1.00 0.00 C ATOM 274 O ASP A 20 -2.740 15.051 -4.121 1.00 0.00 O ATOM 275 CB ASP A 20 -2.842 14.498 -7.294 1.00 0.00 C ATOM 276 CG ASP A 20 -2.745 15.005 -8.734 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.615 15.359 -9.136 1.00 0.00 O ATOM 278 OD2 ASP A 20 -3.802 15.028 -9.401 1.00 0.00 O ATOM 0 H ASP A 20 -1.220 13.090 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.206 15.826 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.742 13.413 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.837 14.725 -6.911 1.00 0.00 H new ATOM 283 N PRO A 21 -2.966 16.980 -5.340 1.00 0.00 N ATOM 284 CA PRO A 21 -3.688 17.695 -4.301 1.00 0.00 C ATOM 285 C PRO A 21 -5.134 17.205 -4.201 1.00 0.00 C ATOM 286 O PRO A 21 -6.066 17.943 -4.516 1.00 0.00 O ATOM 287 CB PRO A 21 -3.583 19.161 -4.687 1.00 0.00 C ATOM 288 CG PRO A 21 -3.211 19.179 -6.161 1.00 0.00 C ATOM 289 CD PRO A 21 -2.760 17.779 -6.544 1.00 0.00 C ATOM 0 HA PRO A 21 -3.271 17.527 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.527 19.678 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.828 19.670 -4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.064 19.484 -6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.415 19.900 -6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.341 17.391 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.714 17.770 -6.851 1.00 0.00 H new ATOM 297 N ARG A 22 -5.275 15.963 -3.762 1.00 0.00 N ATOM 298 CA ARG A 22 -6.591 15.366 -3.616 1.00 0.00 C ATOM 299 C ARG A 22 -6.559 14.259 -2.560 1.00 0.00 C ATOM 300 O ARG A 22 -7.414 14.213 -1.677 1.00 0.00 O ATOM 301 CB ARG A 22 -7.080 14.780 -4.943 1.00 0.00 C ATOM 302 CG ARG A 22 -7.708 15.864 -5.822 1.00 0.00 C ATOM 303 CD ARG A 22 -9.082 15.427 -6.333 1.00 0.00 C ATOM 304 NE ARG A 22 -9.126 15.520 -7.810 1.00 0.00 N ATOM 305 CZ ARG A 22 -9.162 16.675 -8.488 1.00 0.00 C ATOM 306 NH1 ARG A 22 -9.160 17.841 -7.828 1.00 0.00 N ATOM 307 NH2 ARG A 22 -9.201 16.664 -9.828 1.00 0.00 N ATOM 0 H ARG A 22 -4.499 15.354 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.278 16.152 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.246 14.317 -5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.810 13.994 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.805 16.788 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.053 16.077 -6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.288 14.404 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.858 16.056 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.129 14.651 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.131 17.850 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.187 18.720 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.203 15.777 -10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.228 17.543 -10.345 1.00 0.00 H new ATOM 321 N LEU A 23 -5.562 13.395 -2.685 1.00 0.00 N ATOM 322 CA LEU A 23 -5.407 12.292 -1.752 1.00 0.00 C ATOM 323 C LEU A 23 -6.573 11.316 -1.924 1.00 0.00 C ATOM 324 O LEU A 23 -7.377 11.137 -1.010 1.00 0.00 O ATOM 325 CB LEU A 23 -5.249 12.816 -0.324 1.00 0.00 C ATOM 326 CG LEU A 23 -3.813 12.948 0.187 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.284 14.368 -0.024 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.708 12.509 1.649 1.00 0.00 C ATOM 0 H LEU A 23 -4.854 13.437 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.493 11.738 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.727 13.794 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.793 12.152 0.348 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.181 12.279 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.262 14.434 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.300 14.608 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.913 15.075 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.677 12.613 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.356 13.134 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.016 11.467 1.739 1.00 0.00 H new ATOM 340 N PRO A 24 -6.631 10.696 -3.132 1.00 0.00 N ATOM 341 CA PRO A 24 -7.685 9.743 -3.435 1.00 0.00 C ATOM 342 C PRO A 24 -7.442 8.411 -2.724 1.00 0.00 C ATOM 343 O PRO A 24 -6.361 7.833 -2.832 1.00 0.00 O ATOM 344 CB PRO A 24 -7.679 9.617 -4.950 1.00 0.00 C ATOM 345 CG PRO A 24 -6.327 10.141 -5.406 1.00 0.00 C ATOM 346 CD PRO A 24 -5.697 10.883 -4.239 1.00 0.00 C ATOM 0 HA PRO A 24 -8.662 10.071 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.820 8.580 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.491 10.193 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.687 9.319 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.444 10.805 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.713 10.480 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.562 11.940 -4.469 1.00 0.00 H new ATOM 354 N TYR A 25 -8.464 7.961 -2.011 1.00 0.00 N ATOM 355 CA TYR A 25 -8.375 6.708 -1.282 1.00 0.00 C ATOM 356 C TYR A 25 -8.607 5.515 -2.211 1.00 0.00 C ATOM 357 O TYR A 25 -9.288 5.639 -3.228 1.00 0.00 O ATOM 358 CB TYR A 25 -9.490 6.748 -0.235 1.00 0.00 C ATOM 359 CG TYR A 25 -10.865 6.349 -0.776 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.196 5.016 -0.904 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.774 7.323 -1.135 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.490 4.640 -1.412 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.068 6.948 -1.644 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.362 5.625 -1.757 1.00 0.00 C ATOM 365 OH TYR A 25 -14.584 5.271 -2.237 1.00 0.00 O ATOM 0 H TYR A 25 -9.359 8.443 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.387 6.594 -0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.227 6.082 0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.551 7.755 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.484 4.254 -0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.515 8.367 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.762 3.600 -1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.788 7.700 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.102 6.078 -2.441 1.00 0.00 H new ATOM 375 N LYS A 26 -8.027 4.386 -1.830 1.00 0.00 N ATOM 376 CA LYS A 26 -8.162 3.172 -2.616 1.00 0.00 C ATOM 377 C LYS A 26 -8.548 2.013 -1.695 1.00 0.00 C ATOM 378 O LYS A 26 -8.092 1.944 -0.555 1.00 0.00 O ATOM 379 CB LYS A 26 -6.891 2.916 -3.428 1.00 0.00 C ATOM 380 CG LYS A 26 -7.214 2.738 -4.913 1.00 0.00 C ATOM 381 CD LYS A 26 -7.577 1.285 -5.225 1.00 0.00 C ATOM 382 CE LYS A 26 -6.389 0.545 -5.844 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.845 -0.449 -4.893 1.00 0.00 N ATOM 0 H LYS A 26 -7.462 4.287 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.964 3.278 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.200 3.749 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.389 2.025 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.042 3.391 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.356 3.039 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.889 0.780 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.425 1.257 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.702 0.046 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.612 1.258 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.905 -0.142 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.482 -0.532 -4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.765 -1.373 -5.364 1.00 0.00 H new ATOM 397 N VAL A 27 -9.384 1.132 -2.224 1.00 0.00 N ATOM 398 CA VAL A 27 -9.836 -0.021 -1.464 1.00 0.00 C ATOM 399 C VAL A 27 -9.726 -1.275 -2.333 1.00 0.00 C ATOM 400 O VAL A 27 -10.601 -1.545 -3.154 1.00 0.00 O ATOM 401 CB VAL A 27 -11.254 0.221 -0.941 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.891 -1.084 -0.459 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.257 1.275 0.168 1.00 0.00 C ATOM 0 H VAL A 27 -9.760 1.193 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.203 -0.175 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.855 0.602 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.898 -0.884 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.940 -1.792 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.290 -1.507 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.277 1.428 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.633 0.935 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.863 2.214 -0.221 1.00 0.00 H new ATOM 413 N LEU A 28 -8.643 -2.008 -2.122 1.00 0.00 N ATOM 414 CA LEU A 28 -8.406 -3.228 -2.876 1.00 0.00 C ATOM 415 C LEU A 28 -8.864 -4.431 -2.049 1.00 0.00 C ATOM 416 O LEU A 28 -8.811 -4.400 -0.820 1.00 0.00 O ATOM 417 CB LEU A 28 -6.944 -3.308 -3.320 1.00 0.00 C ATOM 418 CG LEU A 28 -6.588 -4.472 -4.247 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.166 -4.256 -5.646 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.076 -4.703 -4.281 1.00 0.00 C ATOM 0 H LEU A 28 -7.920 -1.781 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.994 -3.229 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.686 -2.376 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.318 -3.373 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.044 -5.378 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.898 -5.098 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.251 -4.179 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.761 -3.337 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.850 -5.536 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.579 -3.803 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.721 -4.935 -3.277 1.00 0.00 H new ATOM 432 N SER A 29 -9.305 -5.461 -2.755 1.00 0.00 N ATOM 433 CA SER A 29 -9.772 -6.672 -2.102 1.00 0.00 C ATOM 434 C SER A 29 -9.003 -7.883 -2.633 1.00 0.00 C ATOM 435 O SER A 29 -9.160 -8.264 -3.792 1.00 0.00 O ATOM 436 CB SER A 29 -11.276 -6.865 -2.310 1.00 0.00 C ATOM 437 OG SER A 29 -11.988 -6.881 -1.076 1.00 0.00 O ATOM 0 H SER A 29 -9.349 -5.482 -3.774 1.00 0.00 H new ATOM 0 HA SER A 29 -9.590 -6.575 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.661 -6.063 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.451 -7.800 -2.842 1.00 0.00 H new ATOM 0 HG SER A 29 -12.944 -7.004 -1.252 1.00 0.00 H new ATOM 443 N VAL A 30 -8.188 -8.456 -1.759 1.00 0.00 N ATOM 444 CA VAL A 30 -7.394 -9.616 -2.125 1.00 0.00 C ATOM 445 C VAL A 30 -7.420 -10.629 -0.979 1.00 0.00 C ATOM 446 O VAL A 30 -7.737 -10.279 0.157 1.00 0.00 O ATOM 447 CB VAL A 30 -5.978 -9.182 -2.507 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.001 -7.879 -3.309 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.093 -9.046 -1.267 1.00 0.00 C ATOM 0 H VAL A 30 -8.061 -8.138 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.817 -10.106 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.550 -9.958 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.982 -7.593 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.580 -8.023 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.458 -7.091 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.092 -8.736 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.518 -8.299 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.037 -10.005 -0.753 1.00 0.00 H new ATOM 459 N PRO A 31 -7.074 -11.898 -1.325 1.00 0.00 N ATOM 460 CA PRO A 31 -7.055 -12.964 -0.338 1.00 0.00 C ATOM 461 C PRO A 31 -5.834 -12.843 0.576 1.00 0.00 C ATOM 462 O PRO A 31 -4.702 -12.770 0.100 1.00 0.00 O ATOM 463 CB PRO A 31 -7.066 -14.250 -1.148 1.00 0.00 C ATOM 464 CG PRO A 31 -6.622 -13.864 -2.550 1.00 0.00 C ATOM 465 CD PRO A 31 -6.693 -12.350 -2.660 1.00 0.00 C ATOM 0 HA PRO A 31 -7.910 -12.927 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.393 -14.990 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.061 -14.694 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.607 -14.213 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.264 -14.332 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.734 -11.930 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.425 -12.041 -3.406 1.00 0.00 H new ATOM 473 N GLU A 32 -6.105 -12.826 1.873 1.00 0.00 N ATOM 474 CA GLU A 32 -5.042 -12.715 2.858 1.00 0.00 C ATOM 475 C GLU A 32 -3.797 -13.466 2.382 1.00 0.00 C ATOM 476 O GLU A 32 -2.688 -12.938 2.445 1.00 0.00 O ATOM 477 CB GLU A 32 -5.504 -13.229 4.223 1.00 0.00 C ATOM 478 CG GLU A 32 -6.253 -14.556 4.085 1.00 0.00 C ATOM 479 CD GLU A 32 -6.799 -15.021 5.436 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.083 -14.134 6.269 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.919 -16.254 5.606 1.00 0.00 O ATOM 0 H GLU A 32 -7.045 -12.887 2.265 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.786 -11.662 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.642 -13.360 4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.151 -12.489 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.074 -14.442 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.584 -15.315 3.679 1.00 0.00 H new ATOM 488 N SER A 33 -4.022 -14.686 1.917 1.00 0.00 N ATOM 489 CA SER A 33 -2.932 -15.514 1.431 1.00 0.00 C ATOM 490 C SER A 33 -2.005 -14.688 0.538 1.00 0.00 C ATOM 491 O SER A 33 -0.807 -14.593 0.800 1.00 0.00 O ATOM 492 CB SER A 33 -3.463 -16.728 0.665 1.00 0.00 C ATOM 493 OG SER A 33 -2.600 -17.856 0.790 1.00 0.00 O ATOM 0 H SER A 33 -4.943 -15.121 1.867 1.00 0.00 H new ATOM 0 HA SER A 33 -2.369 -15.877 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.454 -16.987 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.575 -16.472 -0.389 1.00 0.00 H new ATOM 0 HG SER A 33 -2.974 -18.611 0.289 1.00 0.00 H new ATOM 499 N THR A 34 -2.594 -14.110 -0.499 1.00 0.00 N ATOM 500 CA THR A 34 -1.835 -13.295 -1.432 1.00 0.00 C ATOM 501 C THR A 34 -0.896 -12.353 -0.676 1.00 0.00 C ATOM 502 O THR A 34 -1.256 -11.821 0.373 1.00 0.00 O ATOM 503 CB THR A 34 -2.828 -12.564 -2.338 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.846 -13.341 -3.532 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.312 -11.197 -2.790 1.00 0.00 C ATOM 0 H THR A 34 -3.588 -14.190 -0.713 1.00 0.00 H new ATOM 0 HA THR A 34 -1.191 -13.910 -2.061 1.00 0.00 H new ATOM 0 HB THR A 34 -3.774 -12.438 -1.812 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.467 -12.939 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.055 -10.721 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.130 -10.570 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.383 -11.324 -3.345 1.00 0.00 H new ATOM 513 N PRO A 35 0.323 -12.171 -1.253 1.00 0.00 N ATOM 514 CA PRO A 35 1.316 -11.303 -0.645 1.00 0.00 C ATOM 515 C PRO A 35 0.959 -9.830 -0.853 1.00 0.00 C ATOM 516 O PRO A 35 0.354 -9.471 -1.863 1.00 0.00 O ATOM 517 CB PRO A 35 2.632 -11.693 -1.298 1.00 0.00 C ATOM 518 CG PRO A 35 2.261 -12.435 -2.572 1.00 0.00 C ATOM 519 CD PRO A 35 0.784 -12.785 -2.494 1.00 0.00 C ATOM 0 HA PRO A 35 1.372 -11.422 0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.234 -10.812 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.224 -12.325 -0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.461 -11.816 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.862 -13.338 -2.677 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.239 -12.397 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.633 -13.864 -2.482 1.00 0.00 H new ATOM 527 N PHE A 36 1.348 -9.017 0.117 1.00 0.00 N ATOM 528 CA PHE A 36 1.076 -7.591 0.053 1.00 0.00 C ATOM 529 C PHE A 36 1.953 -6.913 -1.003 1.00 0.00 C ATOM 530 O PHE A 36 1.760 -5.738 -1.314 1.00 0.00 O ATOM 531 CB PHE A 36 1.412 -7.009 1.427 1.00 0.00 C ATOM 532 CG PHE A 36 0.559 -5.799 1.815 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.805 -4.585 1.253 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.444 -5.937 2.723 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.014 -3.462 1.613 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.235 -4.814 3.084 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.989 -3.600 2.521 1.00 0.00 C ATOM 0 H PHE A 36 1.850 -9.318 0.952 1.00 0.00 H new ATOM 0 HA PHE A 36 0.033 -7.423 -0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.286 -7.786 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.463 -6.720 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.602 -4.475 0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.639 -6.901 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.209 -2.498 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.031 -4.924 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.590 -2.746 2.795 1.00 0.00 H new ATOM 547 N THR A 37 2.897 -7.682 -1.524 1.00 0.00 N ATOM 548 CA THR A 37 3.803 -7.170 -2.538 1.00 0.00 C ATOM 549 C THR A 37 3.057 -6.942 -3.854 1.00 0.00 C ATOM 550 O THR A 37 3.356 -5.999 -4.586 1.00 0.00 O ATOM 551 CB THR A 37 4.972 -8.149 -2.665 1.00 0.00 C ATOM 552 OG1 THR A 37 6.018 -7.369 -3.237 1.00 0.00 O ATOM 553 CG2 THR A 37 4.711 -9.242 -3.703 1.00 0.00 C ATOM 0 H THR A 37 3.054 -8.655 -1.263 1.00 0.00 H new ATOM 0 HA THR A 37 4.204 -6.197 -2.255 1.00 0.00 H new ATOM 0 HB THR A 37 5.167 -8.609 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.816 -7.926 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.572 -9.909 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.827 -9.811 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.549 -8.785 -4.679 1.00 0.00 H new ATOM 561 N ALA A 38 2.101 -7.821 -4.116 1.00 0.00 N ATOM 562 CA ALA A 38 1.310 -7.727 -5.331 1.00 0.00 C ATOM 563 C ALA A 38 0.343 -6.546 -5.215 1.00 0.00 C ATOM 564 O ALA A 38 0.035 -5.892 -6.209 1.00 0.00 O ATOM 565 CB ALA A 38 0.585 -9.052 -5.572 1.00 0.00 C ATOM 0 H ALA A 38 1.856 -8.602 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 38 1.951 -7.545 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.008 -8.981 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.317 -9.853 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.070 -9.267 -4.728 1.00 0.00 H new ATOM 571 N VAL A 39 -0.109 -6.311 -3.992 1.00 0.00 N ATOM 572 CA VAL A 39 -1.034 -5.221 -3.732 1.00 0.00 C ATOM 573 C VAL A 39 -0.449 -3.919 -4.283 1.00 0.00 C ATOM 574 O VAL A 39 -1.139 -3.164 -4.966 1.00 0.00 O ATOM 575 CB VAL A 39 -1.352 -5.149 -2.238 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.203 -3.918 -1.917 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.039 -6.430 -1.760 1.00 0.00 C ATOM 0 H VAL A 39 0.148 -6.857 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.981 -5.394 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.409 -5.054 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.415 -3.891 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.661 -3.016 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.140 -3.969 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.254 -6.352 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.970 -6.570 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.383 -7.282 -1.936 1.00 0.00 H new ATOM 587 N LEU A 40 0.818 -3.696 -3.965 1.00 0.00 N ATOM 588 CA LEU A 40 1.503 -2.498 -4.419 1.00 0.00 C ATOM 589 C LEU A 40 1.263 -2.316 -5.919 1.00 0.00 C ATOM 590 O LEU A 40 0.716 -1.299 -6.345 1.00 0.00 O ATOM 591 CB LEU A 40 2.984 -2.550 -4.036 1.00 0.00 C ATOM 592 CG LEU A 40 3.772 -1.253 -4.226 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.940 -1.171 -3.242 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.233 -1.100 -5.677 1.00 0.00 C ATOM 0 H LEU A 40 1.388 -4.325 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 40 1.099 -1.617 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.058 -2.847 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.464 -3.333 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 40 3.109 -0.416 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.483 -0.239 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.559 -1.201 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.612 -2.014 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.791 -0.170 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.873 -1.940 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.364 -1.081 -6.335 1.00 0.00 H new ATOM 606 N LYS A 41 1.683 -3.316 -6.679 1.00 0.00 N ATOM 607 CA LYS A 41 1.520 -3.279 -8.123 1.00 0.00 C ATOM 608 C LYS A 41 0.053 -3.005 -8.459 1.00 0.00 C ATOM 609 O LYS A 41 -0.268 -1.987 -9.070 1.00 0.00 O ATOM 610 CB LYS A 41 2.068 -4.559 -8.757 1.00 0.00 C ATOM 611 CG LYS A 41 1.243 -4.960 -9.982 1.00 0.00 C ATOM 612 CD LYS A 41 1.901 -6.122 -10.729 1.00 0.00 C ATOM 613 CE LYS A 41 2.272 -5.715 -12.157 1.00 0.00 C ATOM 614 NZ LYS A 41 3.246 -6.670 -12.732 1.00 0.00 N ATOM 0 H LYS A 41 2.136 -4.157 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 41 2.103 -2.464 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.108 -4.409 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.055 -5.366 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.238 -5.245 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.139 -4.105 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.795 -6.443 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.222 -6.974 -10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.376 -5.683 -12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.695 -4.711 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.487 -6.379 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.107 -6.680 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.829 -7.623 -12.750 1.00 0.00 H new ATOM 628 N PHE A 42 -0.799 -3.931 -8.045 1.00 0.00 N ATOM 629 CA PHE A 42 -2.225 -3.802 -8.295 1.00 0.00 C ATOM 630 C PHE A 42 -2.700 -2.372 -8.034 1.00 0.00 C ATOM 631 O PHE A 42 -3.342 -1.761 -8.887 1.00 0.00 O ATOM 632 CB PHE A 42 -2.936 -4.748 -7.325 1.00 0.00 C ATOM 633 CG PHE A 42 -4.334 -5.171 -7.781 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.280 -4.228 -8.036 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.630 -6.490 -7.932 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.577 -4.621 -8.460 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.927 -6.883 -8.355 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.874 -5.940 -8.610 1.00 0.00 C ATOM 0 H PHE A 42 -0.530 -4.774 -7.538 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.444 -4.045 -9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.324 -5.640 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.014 -4.263 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.045 -3.181 -7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.878 -7.239 -7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.328 -3.872 -8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.162 -7.930 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.861 -6.238 -8.931 1.00 0.00 H new ATOM 648 N ALA A 43 -2.366 -1.878 -6.851 1.00 0.00 N ATOM 649 CA ALA A 43 -2.750 -0.530 -6.467 1.00 0.00 C ATOM 650 C ALA A 43 -2.299 0.452 -7.549 1.00 0.00 C ATOM 651 O ALA A 43 -3.124 1.124 -8.166 1.00 0.00 O ATOM 652 CB ALA A 43 -2.156 -0.201 -5.096 1.00 0.00 C ATOM 0 H ALA A 43 -1.834 -2.387 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.834 -0.450 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.444 0.810 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.531 -0.910 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.069 -0.269 -5.145 1.00 0.00 H new ATOM 658 N ALA A 44 -0.989 0.506 -7.746 1.00 0.00 N ATOM 659 CA ALA A 44 -0.418 1.395 -8.743 1.00 0.00 C ATOM 660 C ALA A 44 -1.273 1.348 -10.011 1.00 0.00 C ATOM 661 O ALA A 44 -1.907 2.339 -10.373 1.00 0.00 O ATOM 662 CB ALA A 44 1.036 1.000 -9.006 1.00 0.00 C ATOM 0 H ALA A 44 -0.307 -0.052 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.417 2.424 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.465 1.667 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.607 1.078 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.074 -0.026 -9.371 1.00 0.00 H new ATOM 668 N GLU A 45 -1.264 0.188 -10.651 1.00 0.00 N ATOM 669 CA GLU A 45 -2.031 0.000 -11.871 1.00 0.00 C ATOM 670 C GLU A 45 -3.414 0.639 -11.732 1.00 0.00 C ATOM 671 O GLU A 45 -3.958 1.166 -12.701 1.00 0.00 O ATOM 672 CB GLU A 45 -2.145 -1.484 -12.223 1.00 0.00 C ATOM 673 CG GLU A 45 -1.521 -1.774 -13.589 1.00 0.00 C ATOM 674 CD GLU A 45 -2.592 -1.825 -14.681 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.401 -2.777 -14.639 1.00 0.00 O ATOM 676 OE2 GLU A 45 -2.578 -0.911 -15.534 1.00 0.00 O ATOM 0 H GLU A 45 -0.738 -0.631 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.505 0.494 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.649 -2.082 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.194 -1.780 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.788 -1.004 -13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.986 -2.723 -13.554 1.00 0.00 H new ATOM 683 N GLU A 46 -3.943 0.571 -10.519 1.00 0.00 N ATOM 684 CA GLU A 46 -5.253 1.136 -10.242 1.00 0.00 C ATOM 685 C GLU A 46 -5.182 2.664 -10.244 1.00 0.00 C ATOM 686 O GLU A 46 -6.053 3.328 -10.805 1.00 0.00 O ATOM 687 CB GLU A 46 -5.804 0.615 -8.913 1.00 0.00 C ATOM 688 CG GLU A 46 -7.027 -0.276 -9.138 1.00 0.00 C ATOM 689 CD GLU A 46 -8.323 0.519 -8.964 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.688 1.228 -9.927 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.920 0.399 -7.873 1.00 0.00 O ATOM 0 H GLU A 46 -3.489 0.134 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.937 0.822 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.031 0.052 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.074 1.455 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.990 -0.704 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.009 -1.109 -8.435 1.00 0.00 H new ATOM 698 N PHE A 47 -4.138 3.178 -9.612 1.00 0.00 N ATOM 699 CA PHE A 47 -3.942 4.616 -9.535 1.00 0.00 C ATOM 700 C PHE A 47 -3.258 5.145 -10.796 1.00 0.00 C ATOM 701 O PHE A 47 -2.849 6.304 -10.846 1.00 0.00 O ATOM 702 CB PHE A 47 -3.038 4.880 -8.329 1.00 0.00 C ATOM 703 CG PHE A 47 -3.797 5.101 -7.019 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.645 6.156 -6.894 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.622 4.242 -5.979 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.349 6.361 -5.678 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.326 4.447 -4.763 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.175 5.502 -4.638 1.00 0.00 C ATOM 0 H PHE A 47 -3.418 2.624 -9.148 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.905 5.118 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.359 4.037 -8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.424 5.757 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.783 6.838 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.948 3.404 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.023 7.199 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.187 3.765 -3.937 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.711 5.658 -3.713 1.00 0.00 H new ATOM 718 N LYS A 48 -3.154 4.270 -11.786 1.00 0.00 N ATOM 719 CA LYS A 48 -2.526 4.634 -13.044 1.00 0.00 C ATOM 720 C LYS A 48 -1.127 5.191 -12.769 1.00 0.00 C ATOM 721 O LYS A 48 -0.903 6.396 -12.872 1.00 0.00 O ATOM 722 CB LYS A 48 -3.423 5.589 -13.834 1.00 0.00 C ATOM 723 CG LYS A 48 -3.786 4.999 -15.198 1.00 0.00 C ATOM 724 CD LYS A 48 -3.839 6.088 -16.271 1.00 0.00 C ATOM 725 CE LYS A 48 -5.261 6.257 -16.811 1.00 0.00 C ATOM 726 NZ LYS A 48 -5.627 7.690 -16.868 1.00 0.00 N ATOM 0 H LYS A 48 -3.494 3.310 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.401 3.754 -13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.332 5.791 -13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.913 6.543 -13.970 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.052 4.243 -15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.752 4.498 -15.136 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.490 7.032 -15.853 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.164 5.832 -17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.333 5.817 -17.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.964 5.721 -16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.595 7.787 -17.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.578 8.099 -15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.966 8.192 -17.494 1.00 0.00 H new ATOM 740 N VAL A 49 -0.223 4.286 -12.425 1.00 0.00 N ATOM 741 CA VAL A 49 1.148 4.671 -12.134 1.00 0.00 C ATOM 742 C VAL A 49 2.071 3.476 -12.376 1.00 0.00 C ATOM 743 O VAL A 49 1.610 2.339 -12.468 1.00 0.00 O ATOM 744 CB VAL A 49 1.245 5.224 -10.710 1.00 0.00 C ATOM 745 CG1 VAL A 49 1.061 6.742 -10.698 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.235 4.541 -9.787 1.00 0.00 C ATOM 0 H VAL A 49 -0.413 3.287 -12.341 1.00 0.00 H new ATOM 0 HA VAL A 49 1.470 5.470 -12.801 1.00 0.00 H new ATOM 0 HB VAL A 49 2.244 5.005 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.134 7.109 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.836 7.207 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.081 6.993 -11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.325 4.952 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.774 4.714 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.433 3.470 -9.760 1.00 0.00 H new ATOM 756 N PRO A 50 3.393 3.781 -12.474 1.00 0.00 N ATOM 757 CA PRO A 50 4.385 2.745 -12.704 1.00 0.00 C ATOM 758 C PRO A 50 4.633 1.931 -11.432 1.00 0.00 C ATOM 759 O PRO A 50 4.926 2.493 -10.378 1.00 0.00 O ATOM 760 CB PRO A 50 5.623 3.485 -13.185 1.00 0.00 C ATOM 761 CG PRO A 50 5.432 4.933 -12.766 1.00 0.00 C ATOM 762 CD PRO A 50 3.976 5.116 -12.370 1.00 0.00 C ATOM 0 HA PRO A 50 4.063 2.012 -13.443 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.526 3.066 -12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.732 3.402 -14.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.088 5.178 -11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.692 5.605 -13.584 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.887 5.509 -11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.471 5.821 -13.031 1.00 0.00 H new ATOM 770 N ALA A 51 4.504 0.620 -11.572 1.00 0.00 N ATOM 771 CA ALA A 51 4.710 -0.277 -10.448 1.00 0.00 C ATOM 772 C ALA A 51 6.200 -0.601 -10.325 1.00 0.00 C ATOM 773 O ALA A 51 6.579 -1.767 -10.227 1.00 0.00 O ATOM 774 CB ALA A 51 3.853 -1.531 -10.632 1.00 0.00 C ATOM 0 H ALA A 51 4.259 0.157 -12.447 1.00 0.00 H new ATOM 0 HA ALA A 51 4.399 0.197 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.007 -2.204 -9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.801 -1.249 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.139 -2.035 -11.555 1.00 0.00 H new ATOM 780 N ALA A 52 7.005 0.451 -10.336 1.00 0.00 N ATOM 781 CA ALA A 52 8.445 0.293 -10.227 1.00 0.00 C ATOM 782 C ALA A 52 9.007 1.388 -9.319 1.00 0.00 C ATOM 783 O ALA A 52 9.770 1.104 -8.397 1.00 0.00 O ATOM 784 CB ALA A 52 9.068 0.317 -11.624 1.00 0.00 C ATOM 0 H ALA A 52 6.687 1.417 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 52 8.693 -0.668 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.148 0.199 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.657 -0.498 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.843 1.268 -12.107 1.00 0.00 H new ATOM 790 N THR A 53 8.609 2.617 -9.612 1.00 0.00 N ATOM 791 CA THR A 53 9.063 3.757 -8.833 1.00 0.00 C ATOM 792 C THR A 53 8.034 4.112 -7.758 1.00 0.00 C ATOM 793 O THR A 53 7.669 5.277 -7.604 1.00 0.00 O ATOM 794 CB THR A 53 9.352 4.906 -9.801 1.00 0.00 C ATOM 795 OG1 THR A 53 8.089 5.180 -10.401 1.00 0.00 O ATOM 796 CG2 THR A 53 10.236 4.476 -10.973 1.00 0.00 C ATOM 0 H THR A 53 7.977 2.849 -10.378 1.00 0.00 H new ATOM 0 HA THR A 53 9.983 3.527 -8.295 1.00 0.00 H new ATOM 0 HB THR A 53 9.835 5.721 -9.263 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.184 5.915 -11.042 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.410 5.329 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.190 4.109 -10.594 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.739 3.683 -11.532 1.00 0.00 H new ATOM 804 N SER A 54 7.596 3.087 -7.041 1.00 0.00 N ATOM 805 CA SER A 54 6.617 3.277 -5.985 1.00 0.00 C ATOM 806 C SER A 54 7.031 2.490 -4.740 1.00 0.00 C ATOM 807 O SER A 54 7.895 1.617 -4.812 1.00 0.00 O ATOM 808 CB SER A 54 5.222 2.848 -6.444 1.00 0.00 C ATOM 809 OG SER A 54 4.954 3.250 -7.784 1.00 0.00 O ATOM 0 H SER A 54 7.901 2.123 -7.171 1.00 0.00 H new ATOM 0 HA SER A 54 6.579 4.339 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.132 1.765 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.473 3.279 -5.780 1.00 0.00 H new ATOM 0 HG SER A 54 5.132 2.502 -8.392 1.00 0.00 H new ATOM 815 N ALA A 55 6.397 2.828 -3.627 1.00 0.00 N ATOM 816 CA ALA A 55 6.689 2.165 -2.368 1.00 0.00 C ATOM 817 C ALA A 55 5.549 2.427 -1.381 1.00 0.00 C ATOM 818 O ALA A 55 4.858 3.439 -1.481 1.00 0.00 O ATOM 819 CB ALA A 55 8.041 2.647 -1.838 1.00 0.00 C ATOM 0 H ALA A 55 5.682 3.553 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 55 6.760 1.087 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.260 2.149 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.821 2.411 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.007 3.725 -1.681 1.00 0.00 H new ATOM 825 N ILE A 56 5.388 1.497 -0.451 1.00 0.00 N ATOM 826 CA ILE A 56 4.344 1.615 0.552 1.00 0.00 C ATOM 827 C ILE A 56 4.985 1.755 1.935 1.00 0.00 C ATOM 828 O ILE A 56 6.017 1.145 2.209 1.00 0.00 O ATOM 829 CB ILE A 56 3.363 0.446 0.445 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.459 0.600 -0.780 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.558 0.285 1.736 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.774 -0.724 -1.125 1.00 0.00 C ATOM 0 H ILE A 56 5.963 0.659 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 56 3.752 2.514 0.381 1.00 0.00 H new ATOM 0 HB ILE A 56 3.937 -0.470 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.706 1.364 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.048 0.941 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.868 -0.553 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.237 0.096 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.994 1.197 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.137 -0.587 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.530 -1.479 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.166 -1.050 -0.281 1.00 0.00 H new ATOM 844 N ILE A 57 4.346 2.563 2.768 1.00 0.00 N ATOM 845 CA ILE A 57 4.840 2.791 4.115 1.00 0.00 C ATOM 846 C ILE A 57 3.657 3.025 5.056 1.00 0.00 C ATOM 847 O ILE A 57 2.513 3.112 4.611 1.00 0.00 O ATOM 848 CB ILE A 57 5.866 3.926 4.124 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.217 5.255 3.731 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.065 3.589 3.236 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.781 6.408 4.564 1.00 0.00 C ATOM 0 H ILE A 57 3.491 3.068 2.536 1.00 0.00 H new ATOM 0 HA ILE A 57 5.368 1.910 4.480 1.00 0.00 H new ATOM 0 HB ILE A 57 6.241 4.039 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.389 5.449 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.138 5.193 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.779 4.412 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.545 2.682 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.727 3.433 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.303 7.341 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.586 6.223 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.856 6.483 4.401 1.00 0.00 H new ATOM 863 N THR A 58 3.971 3.119 6.340 1.00 0.00 N ATOM 864 CA THR A 58 2.948 3.341 7.347 1.00 0.00 C ATOM 865 C THR A 58 2.988 4.789 7.838 1.00 0.00 C ATOM 866 O THR A 58 3.954 5.508 7.585 1.00 0.00 O ATOM 867 CB THR A 58 3.153 2.315 8.463 1.00 0.00 C ATOM 868 OG1 THR A 58 4.441 2.624 8.987 1.00 0.00 O ATOM 869 CG2 THR A 58 3.301 0.889 7.928 1.00 0.00 C ATOM 0 H THR A 58 4.920 3.045 6.706 1.00 0.00 H new ATOM 0 HA THR A 58 1.949 3.199 6.934 1.00 0.00 H new ATOM 0 HB THR A 58 2.311 2.358 9.154 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.128 2.380 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.444 0.201 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.402 0.611 7.378 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.163 0.838 7.263 1.00 0.00 H new ATOM 877 N ASN A 59 1.928 5.174 8.533 1.00 0.00 N ATOM 878 CA ASN A 59 1.830 6.524 9.062 1.00 0.00 C ATOM 879 C ASN A 59 2.917 6.733 10.118 1.00 0.00 C ATOM 880 O ASN A 59 2.680 6.528 11.307 1.00 0.00 O ATOM 881 CB ASN A 59 0.472 6.757 9.728 1.00 0.00 C ATOM 882 CG ASN A 59 -0.662 6.679 8.704 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.795 7.512 7.823 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.469 5.635 8.869 1.00 0.00 N ATOM 0 H ASN A 59 1.129 4.575 8.742 1.00 0.00 H new ATOM 0 HA ASN A 59 1.949 7.221 8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.314 6.013 10.509 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.463 7.734 10.212 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.257 5.494 8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.300 4.975 9.628 1.00 0.00 H new ATOM 891 N ASP A 60 4.086 7.140 9.645 1.00 0.00 N ATOM 892 CA ASP A 60 5.210 7.379 10.534 1.00 0.00 C ATOM 893 C ASP A 60 6.511 7.327 9.730 1.00 0.00 C ATOM 894 O ASP A 60 7.498 7.962 10.098 1.00 0.00 O ATOM 895 CB ASP A 60 5.287 6.310 11.626 1.00 0.00 C ATOM 896 CG ASP A 60 4.922 6.793 13.031 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.627 7.702 13.519 1.00 0.00 O ATOM 898 OD2 ASP A 60 3.946 6.242 13.585 1.00 0.00 O ATOM 0 H ASP A 60 4.279 7.310 8.658 1.00 0.00 H new ATOM 0 HA ASP A 60 5.072 8.357 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.623 5.489 11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.300 5.907 11.648 1.00 0.00 H new ATOM 903 N GLY A 61 6.469 6.565 8.646 1.00 0.00 N ATOM 904 CA GLY A 61 7.632 6.423 7.787 1.00 0.00 C ATOM 905 C GLY A 61 8.021 4.951 7.631 1.00 0.00 C ATOM 906 O GLY A 61 8.472 4.535 6.565 1.00 0.00 O ATOM 0 H GLY A 61 5.648 6.040 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.420 6.853 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.469 6.982 8.206 1.00 0.00 H new ATOM 910 N ILE A 62 7.831 4.204 8.708 1.00 0.00 N ATOM 911 CA ILE A 62 8.157 2.788 8.704 1.00 0.00 C ATOM 912 C ILE A 62 7.601 2.145 7.432 1.00 0.00 C ATOM 913 O ILE A 62 6.442 2.358 7.080 1.00 0.00 O ATOM 914 CB ILE A 62 7.669 2.123 9.993 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.323 2.760 11.221 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.890 0.610 9.946 1.00 0.00 C ATOM 917 CD1 ILE A 62 9.849 2.737 11.103 1.00 0.00 C ATOM 0 H ILE A 62 7.455 4.553 9.590 1.00 0.00 H new ATOM 0 HA ILE A 62 9.238 2.645 8.688 1.00 0.00 H new ATOM 0 HB ILE A 62 6.595 2.290 10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.978 3.788 11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.016 2.225 12.120 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.535 0.161 10.874 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.340 0.188 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.953 0.401 9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.289 3.196 11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.192 1.706 11.020 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.154 3.293 10.217 1.00 0.00 H new ATOM 929 N GLY A 63 8.454 1.371 6.777 1.00 0.00 N ATOM 930 CA GLY A 63 8.063 0.696 5.551 1.00 0.00 C ATOM 931 C GLY A 63 7.348 -0.622 5.856 1.00 0.00 C ATOM 932 O GLY A 63 6.951 -0.868 6.994 1.00 0.00 O ATOM 0 H GLY A 63 9.415 1.196 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.408 1.343 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.945 0.503 4.941 1.00 0.00 H new ATOM 936 N ILE A 64 7.204 -1.433 4.819 1.00 0.00 N ATOM 937 CA ILE A 64 6.544 -2.720 4.961 1.00 0.00 C ATOM 938 C ILE A 64 7.376 -3.796 4.261 1.00 0.00 C ATOM 939 O ILE A 64 8.007 -3.531 3.239 1.00 0.00 O ATOM 940 CB ILE A 64 5.100 -2.638 4.462 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.372 -1.443 5.081 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.358 -3.953 4.712 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.981 -1.270 4.467 1.00 0.00 C ATOM 0 H ILE A 64 7.533 -1.224 3.876 1.00 0.00 H new ATOM 0 HA ILE A 64 6.479 -3.001 6.012 1.00 0.00 H new ATOM 0 HB ILE A 64 5.120 -2.479 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.283 -1.585 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.957 -0.536 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.334 -3.868 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.864 -4.762 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.347 -4.167 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.485 -0.414 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.075 -1.104 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.391 -2.169 4.645 1.00 0.00 H new ATOM 955 N ASN A 65 7.351 -4.988 4.840 1.00 0.00 N ATOM 956 CA ASN A 65 8.096 -6.105 4.285 1.00 0.00 C ATOM 957 C ASN A 65 7.125 -7.232 3.928 1.00 0.00 C ATOM 958 O ASN A 65 6.503 -7.823 4.809 1.00 0.00 O ATOM 959 CB ASN A 65 9.104 -6.652 5.297 1.00 0.00 C ATOM 960 CG ASN A 65 10.396 -7.090 4.603 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.653 -6.768 3.455 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.190 -7.839 5.361 1.00 0.00 N ATOM 0 H ASN A 65 6.826 -5.204 5.688 1.00 0.00 H new ATOM 0 HA ASN A 65 8.628 -5.750 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.328 -5.888 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.668 -7.498 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.076 -8.181 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.914 -8.072 6.315 1.00 0.00 H new ATOM 969 N PRO A 66 7.023 -7.504 2.599 1.00 0.00 N ATOM 970 CA PRO A 66 6.138 -8.550 2.115 1.00 0.00 C ATOM 971 C PRO A 66 6.727 -9.935 2.388 1.00 0.00 C ATOM 972 O PRO A 66 6.824 -10.762 1.482 1.00 0.00 O ATOM 973 CB PRO A 66 5.962 -8.261 0.633 1.00 0.00 C ATOM 974 CG PRO A 66 7.114 -7.348 0.246 1.00 0.00 C ATOM 975 CD PRO A 66 7.744 -6.824 1.527 1.00 0.00 C ATOM 0 HA PRO A 66 5.174 -8.555 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.981 -9.182 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.002 -7.782 0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.850 -7.892 -0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.757 -6.522 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.810 -7.046 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.641 -5.742 1.605 1.00 0.00 H new ATOM 983 N ALA A 67 7.104 -10.147 3.640 1.00 0.00 N ATOM 984 CA ALA A 67 7.680 -11.418 4.044 1.00 0.00 C ATOM 985 C ALA A 67 6.555 -12.416 4.327 1.00 0.00 C ATOM 986 O ALA A 67 6.742 -13.624 4.186 1.00 0.00 O ATOM 987 CB ALA A 67 8.588 -11.205 5.257 1.00 0.00 C ATOM 0 H ALA A 67 7.022 -9.459 4.389 1.00 0.00 H new ATOM 0 HA ALA A 67 8.295 -11.832 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.020 -12.159 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.387 -10.511 4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.005 -10.793 6.080 1.00 0.00 H new ATOM 993 N GLN A 68 5.412 -11.875 4.720 1.00 0.00 N ATOM 994 CA GLN A 68 4.257 -12.703 5.023 1.00 0.00 C ATOM 995 C GLN A 68 3.107 -12.381 4.066 1.00 0.00 C ATOM 996 O GLN A 68 3.224 -11.489 3.227 1.00 0.00 O ATOM 997 CB GLN A 68 3.823 -12.526 6.480 1.00 0.00 C ATOM 998 CG GLN A 68 3.854 -11.052 6.886 1.00 0.00 C ATOM 999 CD GLN A 68 5.222 -10.669 7.455 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.841 -11.407 8.204 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.658 -9.476 7.060 1.00 0.00 N ATOM 0 H GLN A 68 5.261 -10.873 4.836 1.00 0.00 H new ATOM 0 HA GLN A 68 4.537 -13.747 4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.817 -12.923 6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.482 -13.100 7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.628 -10.428 6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.080 -10.859 7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.090 -8.908 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.560 -9.129 7.386 1.00 0.00 H new ATOM 1010 N THR A 69 2.022 -13.125 4.224 1.00 0.00 N ATOM 1011 CA THR A 69 0.852 -12.931 3.385 1.00 0.00 C ATOM 1012 C THR A 69 0.256 -11.541 3.615 1.00 0.00 C ATOM 1013 O THR A 69 0.496 -10.922 4.651 1.00 0.00 O ATOM 1014 CB THR A 69 -0.130 -14.068 3.671 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.589 -13.806 4.994 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.565 -15.427 3.781 1.00 0.00 C ATOM 0 H THR A 69 1.929 -13.864 4.921 1.00 0.00 H new ATOM 0 HA THR A 69 1.114 -12.968 2.327 1.00 0.00 H new ATOM 0 HB THR A 69 -0.881 -14.106 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.232 -14.496 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.177 -16.199 3.985 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.075 -15.652 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.292 -15.399 4.593 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.510 -11.090 2.632 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.143 -9.785 2.715 1.00 0.00 C ATOM 1026 C ALA A 70 -1.888 -9.667 4.046 1.00 0.00 C ATOM 1027 O ALA A 70 -1.672 -8.720 4.801 1.00 0.00 O ATOM 1028 CB ALA A 70 -2.065 -9.587 1.510 1.00 0.00 C ATOM 0 H ALA A 70 -0.706 -11.605 1.774 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.395 -8.993 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.540 -8.608 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.482 -9.650 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.831 -10.362 1.507 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.749 -10.643 4.293 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.528 -10.661 5.520 1.00 0.00 C ATOM 1036 C GLY A 71 -2.616 -10.627 6.748 1.00 0.00 C ATOM 1037 O GLY A 71 -3.052 -10.263 7.839 1.00 0.00 O ATOM 0 H GLY A 71 -2.925 -11.427 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.202 -9.805 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.149 -11.557 5.548 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.367 -11.011 6.529 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.390 -11.029 7.605 1.00 0.00 C ATOM 1043 C ASN A 72 0.399 -9.719 7.593 1.00 0.00 C ATOM 1044 O ASN A 72 1.047 -9.372 8.580 1.00 0.00 O ATOM 1045 CB ASN A 72 0.602 -12.180 7.428 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.032 -13.516 7.820 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.199 -13.602 8.165 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.800 -14.551 7.748 1.00 0.00 N ATOM 0 H ASN A 72 -1.009 -11.312 5.623 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.926 -11.156 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.935 -12.222 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.486 -12.000 8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.473 -15.486 7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.766 -14.409 7.451 1.00 0.00 H new ATOM 1055 N VAL A 73 0.318 -9.026 6.467 1.00 0.00 N ATOM 1056 CA VAL A 73 1.016 -7.761 6.314 1.00 0.00 C ATOM 1057 C VAL A 73 0.072 -6.614 6.681 1.00 0.00 C ATOM 1058 O VAL A 73 0.454 -5.699 7.409 1.00 0.00 O ATOM 1059 CB VAL A 73 1.579 -7.642 4.897 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.038 -6.211 4.608 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.718 -8.639 4.673 1.00 0.00 C ATOM 0 H VAL A 73 -0.221 -9.317 5.651 1.00 0.00 H new ATOM 0 HA VAL A 73 1.867 -7.710 6.993 1.00 0.00 H new ATOM 0 HB VAL A 73 0.779 -7.885 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.434 -6.154 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.192 -5.531 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.815 -5.928 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.100 -8.533 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.520 -8.442 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.347 -9.654 4.817 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.143 -6.701 6.159 1.00 0.00 N ATOM 1072 CA PHE A 74 -2.145 -5.683 6.423 1.00 0.00 C ATOM 1073 C PHE A 74 -2.606 -5.730 7.881 1.00 0.00 C ATOM 1074 O PHE A 74 -3.265 -4.808 8.358 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.338 -5.983 5.513 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.488 -6.709 6.215 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.255 -7.877 6.872 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.743 -6.186 6.182 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.322 -8.550 7.523 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.810 -6.860 6.833 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.577 -8.028 7.490 1.00 0.00 C ATOM 0 H PHE A 74 -1.456 -7.461 5.555 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.728 -4.694 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.712 -5.046 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.998 -6.589 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.258 -8.292 6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.928 -5.258 5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.137 -9.477 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.807 -6.445 6.806 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.388 -8.540 7.985 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.241 -6.815 8.548 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.608 -6.995 9.942 1.00 0.00 C ATOM 1093 C LEU A 75 -1.503 -6.427 10.834 1.00 0.00 C ATOM 1094 O LEU A 75 -1.781 -5.707 11.791 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.933 -8.463 10.225 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.616 -8.754 11.564 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.126 -8.914 11.385 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.987 -9.969 12.248 1.00 0.00 C ATOM 0 H LEU A 75 -1.695 -7.578 8.149 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.518 -6.441 10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.574 -8.833 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.006 -9.035 10.181 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.459 -7.899 12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.587 -9.120 12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.543 -7.995 10.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.326 -9.741 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.491 -10.154 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.092 -10.843 11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.930 -9.777 12.430 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.271 -6.773 10.488 1.00 0.00 N ATOM 1111 CA LYS A 76 0.878 -6.306 11.246 1.00 0.00 C ATOM 1112 C LYS A 76 1.032 -4.796 11.051 1.00 0.00 C ATOM 1113 O LYS A 76 1.309 -4.069 12.003 1.00 0.00 O ATOM 1114 CB LYS A 76 2.127 -7.106 10.871 1.00 0.00 C ATOM 1115 CG LYS A 76 2.754 -6.572 9.582 1.00 0.00 C ATOM 1116 CD LYS A 76 4.127 -7.201 9.338 1.00 0.00 C ATOM 1117 CE LYS A 76 5.225 -6.415 10.057 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.054 -7.321 10.883 1.00 0.00 N ATOM 0 H LYS A 76 -0.044 -7.371 9.693 1.00 0.00 H new ATOM 0 HA LYS A 76 0.727 -6.476 12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.854 -7.054 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.866 -8.157 10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.097 -6.785 8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.852 -5.488 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.125 -8.233 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.334 -7.227 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.852 -5.903 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.777 -5.646 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.794 -6.772 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.455 -7.790 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.496 -8.039 10.274 1.00 0.00 H new ATOM 1132 N HIS A 77 0.847 -4.370 9.810 1.00 0.00 N ATOM 1133 CA HIS A 77 0.962 -2.960 9.478 1.00 0.00 C ATOM 1134 C HIS A 77 -0.400 -2.282 9.638 1.00 0.00 C ATOM 1135 O HIS A 77 -0.503 -1.229 10.266 1.00 0.00 O ATOM 1136 CB HIS A 77 1.555 -2.778 8.079 1.00 0.00 C ATOM 1137 CG HIS A 77 2.952 -3.330 7.928 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.086 -2.590 8.218 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.387 -4.555 7.515 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.149 -3.346 7.985 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.714 -4.563 7.550 1.00 0.00 N ATOM 0 H HIS A 77 0.618 -4.976 9.022 1.00 0.00 H new ATOM 0 HA HIS A 77 1.653 -2.475 10.168 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.903 -3.264 7.353 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.567 -1.716 7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.758 -5.379 7.211 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.179 -3.050 8.117 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.310 -5.350 7.294 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.411 -2.913 9.059 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.762 -2.384 9.129 1.00 0.00 C ATOM 1151 C GLY A 78 -3.362 -2.226 7.730 1.00 0.00 C ATOM 1152 O GLY A 78 -2.723 -2.562 6.735 1.00 0.00 O ATOM 0 H GLY A 78 -1.321 -3.786 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.387 -3.050 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.753 -1.419 9.636 1.00 0.00 H new ATOM 1156 N SER A 79 -4.584 -1.713 7.700 1.00 0.00 N ATOM 1157 CA SER A 79 -5.277 -1.506 6.440 1.00 0.00 C ATOM 1158 C SER A 79 -5.206 -0.031 6.039 1.00 0.00 C ATOM 1159 O SER A 79 -5.792 0.372 5.036 1.00 0.00 O ATOM 1160 CB SER A 79 -6.735 -1.961 6.533 1.00 0.00 C ATOM 1161 OG SER A 79 -7.547 -1.014 7.221 1.00 0.00 O ATOM 0 H SER A 79 -5.111 -1.435 8.528 1.00 0.00 H new ATOM 0 HA SER A 79 -4.784 -2.107 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.131 -2.117 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.783 -2.921 7.047 1.00 0.00 H new ATOM 0 HG SER A 79 -8.470 -1.340 7.258 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.482 0.733 6.844 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.327 2.154 6.586 1.00 0.00 C ATOM 1169 C GLU A 80 -2.852 2.495 6.363 1.00 0.00 C ATOM 1170 O GLU A 80 -2.057 2.475 7.302 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.915 2.987 7.727 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.432 2.807 7.811 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.987 3.424 9.096 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.542 4.545 9.425 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.844 2.762 9.720 1.00 0.00 O ATOM 0 H GLU A 80 -3.997 0.395 7.675 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.879 2.400 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.457 2.692 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.678 4.040 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.905 3.272 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.678 1.746 7.777 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.530 2.800 5.114 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.165 3.145 4.756 1.00 0.00 C ATOM 1184 C LEU A 81 -1.183 4.180 3.629 1.00 0.00 C ATOM 1185 O LEU A 81 -2.250 4.626 3.209 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.365 1.885 4.421 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.957 0.563 4.913 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.458 -0.611 4.068 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.675 0.357 6.403 1.00 0.00 C ATOM 0 H LEU A 81 -3.191 2.815 4.338 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.654 3.604 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.251 1.828 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.635 1.991 4.842 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.039 0.608 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.894 -1.538 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.752 -0.462 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.628 -0.670 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.106 -0.590 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.402 0.341 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.119 1.173 6.974 1.00 0.00 H new ATOM 1201 N ARG A 82 0.009 4.531 3.171 1.00 0.00 N ATOM 1202 CA ARG A 82 0.144 5.504 2.101 1.00 0.00 C ATOM 1203 C ARG A 82 1.152 5.014 1.060 1.00 0.00 C ATOM 1204 O ARG A 82 2.125 4.343 1.402 1.00 0.00 O ATOM 1205 CB ARG A 82 0.600 6.860 2.644 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.584 7.658 3.194 1.00 0.00 C ATOM 1207 CD ARG A 82 -0.282 8.192 4.595 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.080 9.658 4.545 1.00 0.00 N ATOM 1209 CZ ARG A 82 1.057 10.246 4.148 1.00 0.00 C ATOM 1210 NH1 ARG A 82 2.100 9.498 3.765 1.00 0.00 N ATOM 1211 NH2 ARG A 82 1.150 11.583 4.136 1.00 0.00 N ATOM 0 H ARG A 82 0.891 4.158 3.522 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.835 5.622 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.339 6.710 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.088 7.427 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.809 8.489 2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.471 7.025 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.104 7.953 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.609 7.707 4.994 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.854 10.258 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.029 8.481 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.965 9.946 3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.356 12.152 4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.015 12.031 3.834 1.00 0.00 H new ATOM 1225 N ILE A 83 0.884 5.366 -0.188 1.00 0.00 N ATOM 1226 CA ILE A 83 1.756 4.970 -1.281 1.00 0.00 C ATOM 1227 C ILE A 83 2.599 6.171 -1.716 1.00 0.00 C ATOM 1228 O ILE A 83 2.081 7.114 -2.312 1.00 0.00 O ATOM 1229 CB ILE A 83 0.942 4.347 -2.417 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.775 3.322 -3.190 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.365 5.426 -3.335 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.881 2.422 -4.045 1.00 0.00 C ATOM 0 H ILE A 83 0.075 5.921 -0.467 1.00 0.00 H new ATOM 0 HA ILE A 83 2.449 4.195 -0.954 1.00 0.00 H new ATOM 0 HB ILE A 83 0.099 3.813 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.493 3.838 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.349 2.713 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.209 4.956 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.286 6.084 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.178 6.009 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.498 1.703 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.180 1.889 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.327 3.032 -4.759 1.00 0.00 H new ATOM 1244 N ILE A 84 3.884 6.096 -1.402 1.00 0.00 N ATOM 1245 CA ILE A 84 4.804 7.165 -1.753 1.00 0.00 C ATOM 1246 C ILE A 84 5.736 6.684 -2.866 1.00 0.00 C ATOM 1247 O ILE A 84 5.970 5.485 -3.011 1.00 0.00 O ATOM 1248 CB ILE A 84 5.539 7.668 -0.509 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.724 6.762 -0.169 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.578 7.824 0.671 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.048 7.418 -0.564 1.00 0.00 C ATOM 0 H ILE A 84 4.310 5.312 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 84 4.259 8.025 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 84 5.942 8.657 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.726 6.546 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.618 5.809 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.126 8.183 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.798 8.540 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.124 6.860 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.873 6.753 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.053 7.611 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.163 8.359 -0.026 1.00 0.00 H new ATOM 1263 N PRO A 85 6.256 7.670 -3.646 1.00 0.00 N ATOM 1264 CA PRO A 85 7.158 7.360 -4.742 1.00 0.00 C ATOM 1265 C PRO A 85 8.548 6.990 -4.221 1.00 0.00 C ATOM 1266 O PRO A 85 9.084 7.663 -3.342 1.00 0.00 O ATOM 1267 CB PRO A 85 7.161 8.605 -5.613 1.00 0.00 C ATOM 1268 CG PRO A 85 6.633 9.729 -4.736 1.00 0.00 C ATOM 1269 CD PRO A 85 6.001 9.100 -3.505 1.00 0.00 C ATOM 0 HA PRO A 85 6.839 6.490 -5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.166 8.828 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.532 8.468 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.441 10.401 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.900 10.325 -5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.443 9.492 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.932 9.309 -3.458 1.00 0.00 H new ATOM 1277 N ARG A 86 9.092 5.922 -4.786 1.00 0.00 N ATOM 1278 CA ARG A 86 10.410 5.456 -4.389 1.00 0.00 C ATOM 1279 C ARG A 86 10.968 4.489 -5.436 1.00 0.00 C ATOM 1280 O ARG A 86 10.276 3.569 -5.868 1.00 0.00 O ATOM 1281 CB ARG A 86 10.359 4.752 -3.031 1.00 0.00 C ATOM 1282 CG ARG A 86 11.711 4.837 -2.319 1.00 0.00 C ATOM 1283 CD ARG A 86 11.932 3.622 -1.416 1.00 0.00 C ATOM 1284 NE ARG A 86 11.456 3.916 -0.046 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.011 4.829 0.762 1.00 0.00 C ATOM 1286 NH1 ARG A 86 13.065 5.542 0.344 1.00 0.00 N ATOM 1287 NH2 ARG A 86 11.512 5.029 1.990 1.00 0.00 N ATOM 0 H ARG A 86 8.644 5.366 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 86 11.060 6.327 -4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.588 5.207 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.082 3.707 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.511 4.897 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.756 5.750 -1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.400 2.759 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.990 3.363 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 86 10.655 3.391 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.446 5.390 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.487 6.237 0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.710 4.486 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.935 5.724 2.605 1.00 0.00 H new ATOM 1301 N ASP A 87 12.215 4.732 -5.814 1.00 0.00 N ATOM 1302 CA ASP A 87 12.874 3.895 -6.802 1.00 0.00 C ATOM 1303 C ASP A 87 14.226 3.435 -6.253 1.00 0.00 C ATOM 1304 O ASP A 87 15.168 4.222 -6.173 1.00 0.00 O ATOM 1305 CB ASP A 87 13.127 4.668 -8.097 1.00 0.00 C ATOM 1306 CG ASP A 87 13.757 3.849 -9.226 1.00 0.00 C ATOM 1307 OD1 ASP A 87 13.758 2.606 -9.093 1.00 0.00 O ATOM 1308 OD2 ASP A 87 14.223 4.484 -10.196 1.00 0.00 O ATOM 0 H ASP A 87 12.786 5.497 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 87 12.225 3.044 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.180 5.077 -8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.777 5.515 -7.876 1.00 0.00 H new ATOM 1313 N ARG A 88 14.279 2.162 -5.890 1.00 0.00 N ATOM 1314 CA ARG A 88 15.500 1.587 -5.351 1.00 0.00 C ATOM 1315 C ARG A 88 16.403 1.101 -6.487 1.00 0.00 C ATOM 1316 O ARG A 88 17.532 1.569 -6.631 1.00 0.00 O ATOM 1317 CB ARG A 88 15.193 0.416 -4.416 1.00 0.00 C ATOM 1318 CG ARG A 88 15.143 0.877 -2.958 1.00 0.00 C ATOM 1319 CD ARG A 88 14.433 -0.156 -2.081 1.00 0.00 C ATOM 1320 NE ARG A 88 13.873 0.500 -0.878 1.00 0.00 N ATOM 1321 CZ ARG A 88 13.412 -0.161 0.192 1.00 0.00 C ATOM 1322 NH1 ARG A 88 13.441 -1.500 0.217 1.00 0.00 N ATOM 1323 NH2 ARG A 88 12.922 0.518 1.239 1.00 0.00 N ATOM 0 H ARG A 88 13.496 1.512 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 88 16.010 2.365 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.239 -0.034 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.954 -0.355 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.156 1.038 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.624 1.833 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.636 -0.639 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.133 -0.938 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 88 13.836 1.519 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.814 -2.017 -0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.090 -2.003 1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.900 1.538 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.571 0.015 2.054 1.00 0.00 H new ATOM 1337 N VAL A 89 15.873 0.168 -7.263 1.00 0.00 N ATOM 1338 CA VAL A 89 16.618 -0.387 -8.381 1.00 0.00 C ATOM 1339 C VAL A 89 15.652 -1.109 -9.323 1.00 0.00 C ATOM 1340 O VAL A 89 15.644 -0.851 -10.526 1.00 0.00 O ATOM 1341 CB VAL A 89 17.738 -1.293 -7.866 1.00 0.00 C ATOM 1342 CG1 VAL A 89 17.173 -2.444 -7.031 1.00 0.00 C ATOM 1343 CG2 VAL A 89 18.592 -1.820 -9.021 1.00 0.00 C ATOM 0 H VAL A 89 14.937 -0.218 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 89 17.098 0.408 -8.952 1.00 0.00 H new ATOM 0 HB VAL A 89 18.381 -0.696 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.990 -3.072 -6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.629 -2.041 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.496 -3.040 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.381 -2.461 -8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 89 17.966 -2.393 -9.705 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.039 -0.982 -9.555 1.00 0.00 H new ATOM 1353 N GLY A 90 14.860 -1.998 -8.741 1.00 0.00 N ATOM 1354 CA GLY A 90 13.893 -2.758 -9.514 1.00 0.00 C ATOM 1355 C GLY A 90 14.550 -3.972 -10.174 1.00 0.00 C ATOM 1356 O GLY A 90 15.720 -3.921 -10.550 1.00 0.00 O ATOM 0 H GLY A 90 14.869 -2.209 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.082 -3.087 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.451 -2.119 -10.278 1.00 0.00 H new ATOM 1360 N SER A 91 13.769 -5.035 -10.294 1.00 0.00 N ATOM 1361 CA SER A 91 14.261 -6.260 -10.902 1.00 0.00 C ATOM 1362 C SER A 91 13.126 -6.969 -11.643 1.00 0.00 C ATOM 1363 O SER A 91 12.164 -7.423 -11.024 1.00 0.00 O ATOM 1364 CB SER A 91 14.871 -7.190 -9.851 1.00 0.00 C ATOM 1365 OG SER A 91 15.323 -8.416 -10.421 1.00 0.00 O ATOM 0 H SER A 91 12.799 -5.074 -9.981 1.00 0.00 H new ATOM 0 HA SER A 91 15.043 -5.998 -11.614 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.706 -6.687 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.130 -7.400 -9.079 1.00 0.00 H new ATOM 0 HG SER A 91 15.707 -8.981 -9.719 1.00 0.00 H new ATOM 1371 N CYS A 92 13.274 -7.041 -12.957 1.00 0.00 N ATOM 1372 CA CYS A 92 12.273 -7.687 -13.789 1.00 0.00 C ATOM 1373 C CYS A 92 12.182 -9.158 -13.377 1.00 0.00 C ATOM 1374 O CYS A 92 11.142 -9.791 -13.549 1.00 0.00 O ATOM 1375 CB CYS A 92 12.588 -7.530 -15.278 1.00 0.00 C ATOM 1376 SG CYS A 92 11.094 -6.975 -16.178 1.00 0.00 S ATOM 0 H CYS A 92 14.072 -6.663 -13.467 1.00 0.00 H new ATOM 0 HA CYS A 92 11.306 -7.208 -13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 92 13.394 -6.808 -15.414 1.00 0.00 H new ATOM 0 HB3 CYS A 92 12.937 -8.478 -15.686 1.00 0.00 H new ATOM 0 HG CYS A 92 11.372 -6.842 -17.441 1.00 0.00 H new TER 1382 CYS A 92