USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 704 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 70 MET CE :methyl -118:sc= -21.3! (180deg=-26.8!) USER MOD Set 1.2: A 87 GLN : amide:sc= -18.7! C(o=-40!,f=-32!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -25.7! C(o=-25!,f=-34!) USER MOD Set 2.2: A 51 TYR OH : rot 121:sc= 0.308 USER MOD Set 3.1: A 24 MET CE :methyl -175:sc= -4.76! (180deg=-2.87!) USER MOD Set 3.2: A 39 CYS SG : rot -143:sc= -2.47! USER MOD Set 3.3: A 45 CYS SG : rot -158:sc= -16! USER MOD Set 3.4: A 47 THR OG1 : rot 180:sc= 0.0374 USER MOD Set 3.5: A 48 CYS SG : rot -154:sc= 0.371 USER MOD Set 3.6: A 86 CYS SG : rot 163:sc= -19.3! USER MOD Set 4.1: A 33 TYR OH : rot 180:sc= 0.192 USER MOD Set 4.2: A 85 SER OG : rot -105:sc= -5.85! USER MOD Set 5.1: A 22 SER OG : rot 180:sc= 0.267 USER MOD Set 5.2: A 25 GLN : amide:sc= -4.43! K(o=-4.2!,f=-2) USER MOD Set 6.1: A 1 SER OG : rot -140:sc= -5.09! USER MOD Set 6.2: A 90 MET CE :methyl 164:sc= -6.91! (180deg=-7.94!) USER MOD Single : A 1 SER N :NH3+ 163:sc= -3.07! (180deg=-3.83!) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0.0426 (180deg=-0.00172) USER MOD Single : A 5 TYR OH : rot -93:sc= -3.08! USER MOD Single : A 7 SER OG : rot -26:sc= -8.51! USER MOD Single : A 8 HIS : no HE2:sc= 0.155! C(o=0.15!,f=-6.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 75:sc= 0.367 USER MOD Single : A 30 ASN : amide:sc= -6.76! C(o=-6.8!,f=-5.2!) USER MOD Single : A 42 SER OG : rot -32:sc= 0.398 USER MOD Single : A 44 SER OG : rot -59:sc= -0.424 USER MOD Single : A 53 ASN : amide:sc= -6.3! C(o=-6.3!,f=-17!) USER MOD Single : A 57 THR OG1 : rot -120:sc= -1.46! USER MOD Single : A 59 LYS NZ :NH3+ -141:sc= 0.0457 (180deg=-0.529) USER MOD Single : A 64 ASN : amide:sc= -0.916! C(o=-0.92!,f=-9.5!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -96:sc= -2.04! (180deg=-6.28!) USER MOD Single : A 81 ASN : amide:sc= 0.285! C(o=0.29!,f=-10!) USER MOD Single : A 82 SER OG : rot 83:sc= -3.22! USER MOD Single : A 91 THR OG1 : rot -93:sc= -1.82! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.644 -10.347 -8.099 1.00 0.00 N ATOM 2 CA SER A 1 2.175 -9.371 -9.096 1.00 0.00 C ATOM 3 C SER A 1 3.450 -8.714 -8.562 1.00 0.00 C ATOM 4 O SER A 1 3.636 -8.576 -7.369 1.00 0.00 O ATOM 5 CB SER A 1 1.075 -8.320 -9.257 1.00 0.00 C ATOM 6 OG SER A 1 -0.088 -8.738 -8.554 1.00 0.00 O ATOM 0 H1 SER A 1 0.654 -10.570 -8.325 1.00 0.00 H new ATOM 0 H2 SER A 1 2.211 -11.218 -8.130 1.00 0.00 H new ATOM 0 H3 SER A 1 1.697 -9.933 -7.146 1.00 0.00 H new ATOM 0 HA SER A 1 2.426 -9.851 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.418 -7.358 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.844 -8.179 -10.313 1.00 0.00 H new ATOM 0 HG SER A 1 -0.885 -8.523 -9.082 1.00 0.00 H new ATOM 14 N LYS A 2 4.324 -8.294 -9.434 1.00 0.00 N ATOM 15 CA LYS A 2 5.576 -7.632 -8.970 1.00 0.00 C ATOM 16 C LYS A 2 5.223 -6.368 -8.185 1.00 0.00 C ATOM 17 O LYS A 2 4.530 -5.500 -8.678 1.00 0.00 O ATOM 18 CB LYS A 2 6.330 -7.268 -10.248 1.00 0.00 C ATOM 19 CG LYS A 2 7.830 -7.203 -9.956 1.00 0.00 C ATOM 20 CD LYS A 2 8.318 -5.760 -10.109 1.00 0.00 C ATOM 21 CE LYS A 2 9.813 -5.759 -10.439 1.00 0.00 C ATOM 22 NZ LYS A 2 10.466 -5.125 -9.261 1.00 0.00 N ATOM 0 H LYS A 2 4.226 -8.380 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 2 6.170 -8.271 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.132 -8.008 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.981 -6.308 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.031 -7.561 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.373 -7.856 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.760 -5.258 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.137 -5.204 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.183 -6.772 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.016 -5.199 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.499 -5.209 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.203 -4.120 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.153 -5.602 -8.392 1.00 0.00 H new ATOM 36 N VAL A 3 5.679 -6.251 -6.968 1.00 0.00 N ATOM 37 CA VAL A 3 5.344 -5.039 -6.179 1.00 0.00 C ATOM 38 C VAL A 3 6.620 -4.313 -5.747 1.00 0.00 C ATOM 39 O VAL A 3 7.632 -4.924 -5.464 1.00 0.00 O ATOM 40 CB VAL A 3 4.572 -5.564 -4.970 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.580 -4.520 -3.859 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.129 -5.840 -5.377 1.00 0.00 C ATOM 0 H VAL A 3 6.264 -6.938 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 3 4.760 -4.317 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 3 5.043 -6.480 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.028 -4.900 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.608 -4.309 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.109 -3.604 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.574 -6.215 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.668 -4.918 -5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.112 -6.584 -6.173 1.00 0.00 H new ATOM 52 N VAL A 4 6.568 -3.014 -5.685 1.00 0.00 N ATOM 53 CA VAL A 4 7.764 -2.236 -5.259 1.00 0.00 C ATOM 54 C VAL A 4 7.355 -1.239 -4.192 1.00 0.00 C ATOM 55 O VAL A 4 6.430 -0.473 -4.352 1.00 0.00 O ATOM 56 CB VAL A 4 8.287 -1.546 -6.514 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.130 -0.326 -6.133 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.150 -2.530 -7.310 1.00 0.00 C ATOM 0 H VAL A 4 5.746 -2.454 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 4 8.543 -2.863 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 4 7.442 -1.219 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.498 0.159 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.518 0.377 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.975 -0.644 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.526 -2.040 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.990 -2.856 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.549 -3.395 -7.593 1.00 0.00 H new ATOM 68 N TYR A 5 8.021 -1.292 -3.091 1.00 0.00 N ATOM 69 CA TYR A 5 7.676 -0.416 -1.948 1.00 0.00 C ATOM 70 C TYR A 5 8.594 0.778 -1.823 1.00 0.00 C ATOM 71 O TYR A 5 9.794 0.657 -1.918 1.00 0.00 O ATOM 72 CB TYR A 5 7.889 -1.343 -0.784 1.00 0.00 C ATOM 73 CG TYR A 5 6.874 -2.424 -0.880 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.523 -2.087 -0.905 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.270 -3.762 -0.970 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.562 -3.087 -1.009 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.315 -4.747 -1.073 1.00 0.00 C ATOM 78 CZ TYR A 5 4.953 -4.425 -1.090 1.00 0.00 C ATOM 79 OH TYR A 5 4.004 -5.422 -1.192 1.00 0.00 O ATOM 0 H TYR A 5 8.809 -1.918 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 5 6.676 0.010 -2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.896 -1.760 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.787 -0.804 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.222 -1.052 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.319 -4.021 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.514 -2.829 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.620 -5.781 -1.142 1.00 0.00 H new ATOM 0 HH TYR A 5 3.786 -5.759 -0.298 1.00 0.00 H new ATOM 89 N VAL A 6 8.038 1.927 -1.582 1.00 0.00 N ATOM 90 CA VAL A 6 8.906 3.133 -1.411 1.00 0.00 C ATOM 91 C VAL A 6 8.683 3.786 -0.054 1.00 0.00 C ATOM 92 O VAL A 6 7.605 4.253 0.252 1.00 0.00 O ATOM 93 CB VAL A 6 8.530 4.101 -2.522 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.646 5.144 -2.687 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.366 3.320 -3.814 1.00 0.00 C ATOM 0 H VAL A 6 7.035 2.089 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 6 9.958 2.853 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 6 7.598 4.609 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.379 5.839 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.773 5.692 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.579 4.641 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.096 4.002 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.304 2.822 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.580 2.575 -3.691 1.00 0.00 H new ATOM 105 N SER A 7 9.704 3.870 0.741 1.00 0.00 N ATOM 106 CA SER A 7 9.564 4.544 2.044 1.00 0.00 C ATOM 107 C SER A 7 9.642 6.039 1.778 1.00 0.00 C ATOM 108 O SER A 7 10.535 6.501 1.108 1.00 0.00 O ATOM 109 CB SER A 7 10.753 4.073 2.880 1.00 0.00 C ATOM 110 OG SER A 7 11.960 4.420 2.216 1.00 0.00 O ATOM 0 H SER A 7 10.632 3.498 0.540 1.00 0.00 H new ATOM 0 HA SER A 7 8.630 4.324 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.723 4.533 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.703 2.994 3.029 1.00 0.00 H new ATOM 0 HG SER A 7 11.794 4.493 1.253 1.00 0.00 H new ATOM 116 N HIS A 8 8.708 6.791 2.257 1.00 0.00 N ATOM 117 CA HIS A 8 8.736 8.260 1.992 1.00 0.00 C ATOM 118 C HIS A 8 10.167 8.806 2.126 1.00 0.00 C ATOM 119 O HIS A 8 10.507 9.817 1.545 1.00 0.00 O ATOM 120 CB HIS A 8 7.807 8.879 3.035 1.00 0.00 C ATOM 121 CG HIS A 8 6.917 9.889 2.369 1.00 0.00 C ATOM 122 ND1 HIS A 8 5.816 9.515 1.615 1.00 0.00 N ATOM 123 CD2 HIS A 8 6.950 11.261 2.331 1.00 0.00 C ATOM 124 CE1 HIS A 8 5.235 10.641 1.160 1.00 0.00 C ATOM 125 NE2 HIS A 8 5.887 11.734 1.566 1.00 0.00 N ATOM 0 H HIS A 8 7.924 6.463 2.821 1.00 0.00 H new ATOM 0 HA HIS A 8 8.411 8.499 0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.205 8.103 3.509 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.391 9.355 3.822 1.00 0.00 H new ATOM 0 HD1 HIS A 8 5.503 8.561 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.688 11.879 2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.350 10.659 0.542 1.00 0.00 H new ATOM 133 N ASP A 9 11.010 8.142 2.876 1.00 0.00 N ATOM 134 CA ASP A 9 12.415 8.626 3.027 1.00 0.00 C ATOM 135 C ASP A 9 13.248 8.224 1.795 1.00 0.00 C ATOM 136 O ASP A 9 14.404 8.577 1.671 1.00 0.00 O ATOM 137 CB ASP A 9 12.919 7.956 4.322 1.00 0.00 C ATOM 138 CG ASP A 9 14.182 7.120 4.067 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.111 6.208 3.261 1.00 0.00 O ATOM 140 OD2 ASP A 9 15.194 7.409 4.683 1.00 0.00 O ATOM 0 H ASP A 9 10.787 7.289 3.388 1.00 0.00 H new ATOM 0 HA ASP A 9 12.493 9.711 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.132 8.720 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.136 7.318 4.732 1.00 0.00 H new ATOM 145 N GLY A 10 12.661 7.497 0.884 1.00 0.00 N ATOM 146 CA GLY A 10 13.397 7.075 -0.343 1.00 0.00 C ATOM 147 C GLY A 10 13.667 5.566 -0.318 1.00 0.00 C ATOM 148 O GLY A 10 13.623 4.909 -1.339 1.00 0.00 O ATOM 0 H GLY A 10 11.695 7.174 0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.816 7.331 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.340 7.618 -0.413 1.00 0.00 H new ATOM 152 N THR A 11 13.945 5.004 0.829 1.00 0.00 N ATOM 153 CA THR A 11 14.211 3.546 0.886 1.00 0.00 C ATOM 154 C THR A 11 13.097 2.815 0.147 1.00 0.00 C ATOM 155 O THR A 11 11.936 3.141 0.263 1.00 0.00 O ATOM 156 CB THR A 11 14.252 3.202 2.387 1.00 0.00 C ATOM 157 OG1 THR A 11 15.552 2.738 2.719 1.00 0.00 O ATOM 158 CG2 THR A 11 13.226 2.118 2.748 1.00 0.00 C ATOM 0 H THR A 11 13.998 5.493 1.722 1.00 0.00 H new ATOM 0 HA THR A 11 15.145 3.250 0.409 1.00 0.00 H new ATOM 0 HB THR A 11 14.006 4.103 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.587 2.518 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.285 1.902 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.224 2.470 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.440 1.211 2.182 1.00 0.00 H new ATOM 166 N ARG A 12 13.454 1.851 -0.625 1.00 0.00 N ATOM 167 CA ARG A 12 12.425 1.103 -1.406 1.00 0.00 C ATOM 168 C ARG A 12 12.578 -0.419 -1.238 1.00 0.00 C ATOM 169 O ARG A 12 13.672 -0.933 -1.119 1.00 0.00 O ATOM 170 CB ARG A 12 12.690 1.496 -2.859 1.00 0.00 C ATOM 171 CG ARG A 12 11.659 2.534 -3.303 1.00 0.00 C ATOM 172 CD ARG A 12 11.803 2.788 -4.805 1.00 0.00 C ATOM 173 NE ARG A 12 12.920 3.765 -4.924 1.00 0.00 N ATOM 174 CZ ARG A 12 13.798 3.638 -5.882 1.00 0.00 C ATOM 175 NH1 ARG A 12 13.439 3.141 -7.034 1.00 0.00 N ATOM 176 NH2 ARG A 12 15.034 4.008 -5.686 1.00 0.00 N ATOM 0 H ARG A 12 14.415 1.537 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 12 11.416 1.345 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.697 1.902 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.636 0.616 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.652 2.181 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.802 3.463 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.026 1.866 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.882 3.188 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 12 12.999 4.533 -4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.473 2.852 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.125 3.042 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.313 4.396 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.721 3.909 -6.434 1.00 0.00 H new ATOM 190 N ARG A 13 11.485 -1.145 -1.272 1.00 0.00 N ATOM 191 CA ARG A 13 11.566 -2.635 -1.162 1.00 0.00 C ATOM 192 C ARG A 13 10.721 -3.274 -2.271 1.00 0.00 C ATOM 193 O ARG A 13 9.527 -3.068 -2.353 1.00 0.00 O ATOM 194 CB ARG A 13 11.032 -3.065 0.227 1.00 0.00 C ATOM 195 CG ARG A 13 10.140 -2.003 0.886 1.00 0.00 C ATOM 196 CD ARG A 13 10.619 -1.750 2.317 1.00 0.00 C ATOM 197 NE ARG A 13 10.108 -0.394 2.660 1.00 0.00 N ATOM 198 CZ ARG A 13 9.272 -0.243 3.650 1.00 0.00 C ATOM 199 NH1 ARG A 13 9.704 -0.289 4.881 1.00 0.00 N ATOM 200 NH2 ARG A 13 8.005 -0.045 3.411 1.00 0.00 N ATOM 0 H ARG A 13 10.542 -0.769 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 13 12.600 -2.963 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.466 -3.991 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.876 -3.280 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.173 -1.077 0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.103 -2.337 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.230 -2.503 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.706 -1.790 2.382 1.00 0.00 H new ATOM 0 HE ARG A 13 10.412 0.417 2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.695 -0.443 5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.051 -0.171 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.667 -0.008 2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.352 0.073 4.186 1.00 0.00 H new ATOM 214 N GLU A 14 11.334 -4.042 -3.130 1.00 0.00 N ATOM 215 CA GLU A 14 10.566 -4.689 -4.237 1.00 0.00 C ATOM 216 C GLU A 14 10.148 -6.104 -3.835 1.00 0.00 C ATOM 217 O GLU A 14 10.970 -6.926 -3.482 1.00 0.00 O ATOM 218 CB GLU A 14 11.539 -4.734 -5.416 1.00 0.00 C ATOM 219 CG GLU A 14 12.085 -3.330 -5.682 1.00 0.00 C ATOM 220 CD GLU A 14 12.424 -3.187 -7.168 1.00 0.00 C ATOM 221 OE1 GLU A 14 12.771 -4.187 -7.774 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.330 -2.080 -7.672 1.00 0.00 O ATOM 0 H GLU A 14 12.332 -4.251 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 14 9.653 -4.145 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.358 -5.419 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.033 -5.113 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.348 -2.581 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.974 -3.153 -5.077 1.00 0.00 H new ATOM 229 N LEU A 15 8.875 -6.400 -3.883 1.00 0.00 N ATOM 230 CA LEU A 15 8.425 -7.765 -3.500 1.00 0.00 C ATOM 231 C LEU A 15 7.947 -8.538 -4.722 1.00 0.00 C ATOM 232 O LEU A 15 7.364 -7.989 -5.635 1.00 0.00 O ATOM 233 CB LEU A 15 7.244 -7.566 -2.544 1.00 0.00 C ATOM 234 CG LEU A 15 7.714 -7.534 -1.087 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.509 -7.598 -0.159 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.550 -8.733 -0.762 1.00 0.00 C ATOM 0 H LEU A 15 8.135 -5.759 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 15 9.240 -8.328 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.730 -6.635 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.523 -8.372 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 15 8.288 -6.617 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.846 -7.575 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.859 -6.744 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.958 -8.521 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.869 -8.683 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.964 -9.639 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.426 -8.752 -1.410 1.00 0.00 H new ATOM 248 N ASP A 16 8.154 -9.820 -4.719 1.00 0.00 N ATOM 249 CA ASP A 16 7.673 -10.651 -5.849 1.00 0.00 C ATOM 250 C ASP A 16 6.369 -11.301 -5.404 1.00 0.00 C ATOM 251 O ASP A 16 6.357 -12.379 -4.841 1.00 0.00 O ATOM 252 CB ASP A 16 8.761 -11.698 -6.082 1.00 0.00 C ATOM 253 CG ASP A 16 9.704 -11.219 -7.187 1.00 0.00 C ATOM 254 OD1 ASP A 16 10.157 -10.090 -7.103 1.00 0.00 O ATOM 255 OD2 ASP A 16 9.954 -11.989 -8.101 1.00 0.00 O ATOM 0 H ASP A 16 8.637 -10.330 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 16 7.489 -10.090 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.319 -11.868 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.310 -12.650 -6.362 1.00 0.00 H new ATOM 260 N VAL A 17 5.273 -10.631 -5.612 1.00 0.00 N ATOM 261 CA VAL A 17 3.972 -11.182 -5.156 1.00 0.00 C ATOM 262 C VAL A 17 3.229 -11.853 -6.308 1.00 0.00 C ATOM 263 O VAL A 17 3.565 -11.687 -7.464 1.00 0.00 O ATOM 264 CB VAL A 17 3.196 -9.964 -4.656 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.732 -10.346 -4.451 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.790 -9.493 -3.328 1.00 0.00 C ATOM 0 H VAL A 17 5.223 -9.725 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 17 4.096 -11.944 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 17 3.264 -9.161 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.176 -9.479 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.308 -10.685 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.665 -11.148 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.238 -8.624 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.720 -10.295 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.836 -9.223 -3.473 1.00 0.00 H new ATOM 276 N ALA A 18 2.222 -12.618 -5.993 1.00 0.00 N ATOM 277 CA ALA A 18 1.450 -13.313 -7.063 1.00 0.00 C ATOM 278 C ALA A 18 -0.011 -12.863 -7.049 1.00 0.00 C ATOM 279 O ALA A 18 -0.310 -11.707 -6.839 1.00 0.00 O ATOM 280 CB ALA A 18 1.548 -14.801 -6.732 1.00 0.00 C ATOM 0 H ALA A 18 1.899 -12.793 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 18 1.843 -13.088 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.002 -15.377 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.595 -15.106 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.118 -14.984 -5.747 1.00 0.00 H new ATOM 286 N ASP A 19 -0.919 -13.771 -7.280 1.00 0.00 N ATOM 287 CA ASP A 19 -2.357 -13.414 -7.294 1.00 0.00 C ATOM 288 C ASP A 19 -3.023 -13.819 -5.975 1.00 0.00 C ATOM 289 O ASP A 19 -2.953 -14.956 -5.552 1.00 0.00 O ATOM 290 CB ASP A 19 -2.925 -14.216 -8.469 1.00 0.00 C ATOM 291 CG ASP A 19 -3.242 -15.650 -8.029 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.282 -15.847 -7.422 1.00 0.00 O ATOM 293 OD2 ASP A 19 -2.438 -16.524 -8.308 1.00 0.00 O ATOM 0 H ASP A 19 -0.719 -14.755 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.529 -12.343 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.828 -13.735 -8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.208 -14.230 -9.289 1.00 0.00 H new ATOM 298 N GLY A 20 -3.677 -12.897 -5.335 1.00 0.00 N ATOM 299 CA GLY A 20 -4.363 -13.219 -4.051 1.00 0.00 C ATOM 300 C GLY A 20 -3.653 -12.537 -2.878 1.00 0.00 C ATOM 301 O GLY A 20 -4.152 -12.524 -1.770 1.00 0.00 O ATOM 0 H GLY A 20 -3.769 -11.929 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.402 -12.892 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.375 -14.298 -3.899 1.00 0.00 H new ATOM 305 N VAL A 21 -2.500 -11.968 -3.099 1.00 0.00 N ATOM 306 CA VAL A 21 -1.788 -11.294 -1.973 1.00 0.00 C ATOM 307 C VAL A 21 -2.007 -9.782 -2.023 1.00 0.00 C ATOM 308 O VAL A 21 -2.519 -9.239 -2.981 1.00 0.00 O ATOM 309 CB VAL A 21 -0.303 -11.591 -2.176 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.503 -10.977 -1.033 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.063 -13.101 -2.200 1.00 0.00 C ATOM 0 H VAL A 21 -2.023 -11.939 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.156 -11.653 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 21 0.013 -11.161 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.562 -11.190 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.348 -9.898 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.175 -11.404 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.999 -13.298 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.387 -13.536 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.630 -13.547 -3.017 1.00 0.00 H new ATOM 321 N SER A 22 -1.594 -9.108 -0.994 1.00 0.00 N ATOM 322 CA SER A 22 -1.728 -7.625 -0.938 1.00 0.00 C ATOM 323 C SER A 22 -0.336 -7.008 -0.783 1.00 0.00 C ATOM 324 O SER A 22 0.621 -7.700 -0.496 1.00 0.00 O ATOM 325 CB SER A 22 -2.580 -7.340 0.302 1.00 0.00 C ATOM 326 OG SER A 22 -2.816 -8.552 1.006 1.00 0.00 O ATOM 0 H SER A 22 -1.160 -9.527 -0.171 1.00 0.00 H new ATOM 0 HA SER A 22 -2.183 -7.208 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.072 -6.625 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.527 -6.887 0.009 1.00 0.00 H new ATOM 0 HG SER A 22 -3.360 -8.368 1.800 1.00 0.00 H new ATOM 332 N LEU A 23 -0.200 -5.723 -0.957 1.00 0.00 N ATOM 333 CA LEU A 23 1.150 -5.112 -0.798 1.00 0.00 C ATOM 334 C LEU A 23 1.663 -5.377 0.608 1.00 0.00 C ATOM 335 O LEU A 23 2.853 -5.445 0.843 1.00 0.00 O ATOM 336 CB LEU A 23 0.964 -3.605 -1.015 1.00 0.00 C ATOM 337 CG LEU A 23 0.297 -3.344 -2.370 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.578 -1.904 -2.802 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.866 -4.298 -3.424 1.00 0.00 C ATOM 0 H LEU A 23 -0.952 -5.078 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 23 1.869 -5.527 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.353 -3.188 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.930 -3.102 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.777 -3.505 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.105 -1.714 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.175 -1.216 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.654 -1.754 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.387 -4.107 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.940 -4.139 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.676 -5.328 -3.123 1.00 0.00 H new ATOM 351 N MET A 24 0.779 -5.527 1.548 1.00 0.00 N ATOM 352 CA MET A 24 1.238 -5.787 2.930 1.00 0.00 C ATOM 353 C MET A 24 1.598 -7.246 3.098 1.00 0.00 C ATOM 354 O MET A 24 2.697 -7.575 3.457 1.00 0.00 O ATOM 355 CB MET A 24 0.076 -5.406 3.845 1.00 0.00 C ATOM 356 CG MET A 24 0.265 -6.055 5.217 1.00 0.00 C ATOM 357 SD MET A 24 0.204 -4.790 6.504 1.00 0.00 S ATOM 358 CE MET A 24 -0.218 -5.909 7.858 1.00 0.00 C ATOM 0 H MET A 24 -0.232 -5.481 1.419 1.00 0.00 H new ATOM 0 HA MET A 24 2.130 -5.209 3.170 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.023 -4.322 3.949 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.867 -5.731 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.513 -6.799 5.388 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.220 -6.579 5.254 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.399 -5.331 8.764 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.116 -6.470 7.600 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.606 -6.602 8.028 1.00 0.00 H new ATOM 368 N GLN A 25 0.671 -8.108 2.853 1.00 0.00 N ATOM 369 CA GLN A 25 0.928 -9.558 3.025 1.00 0.00 C ATOM 370 C GLN A 25 2.353 -9.933 2.578 1.00 0.00 C ATOM 371 O GLN A 25 3.183 -10.268 3.399 1.00 0.00 O ATOM 372 CB GLN A 25 -0.117 -10.186 2.120 1.00 0.00 C ATOM 373 CG GLN A 25 -0.046 -11.708 2.189 1.00 0.00 C ATOM 374 CD GLN A 25 -1.383 -12.301 1.728 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.618 -13.483 1.883 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.280 -11.528 1.162 1.00 0.00 N ATOM 0 H GLN A 25 -0.269 -7.872 2.536 1.00 0.00 H new ATOM 0 HA GLN A 25 0.862 -9.890 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.111 -9.850 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.039 -9.856 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.764 -12.074 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.174 -12.027 3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.087 -10.535 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.170 -11.920 0.854 1.00 0.00 H new ATOM 385 N ALA A 26 2.664 -9.879 1.306 1.00 0.00 N ATOM 386 CA ALA A 26 4.058 -10.239 0.892 1.00 0.00 C ATOM 387 C ALA A 26 5.046 -9.508 1.800 1.00 0.00 C ATOM 388 O ALA A 26 5.875 -10.107 2.454 1.00 0.00 O ATOM 389 CB ALA A 26 4.231 -9.756 -0.555 1.00 0.00 C ATOM 0 H ALA A 26 2.032 -9.609 0.552 1.00 0.00 H new ATOM 0 HA ALA A 26 4.236 -11.312 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.236 -9.997 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.499 -10.250 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.081 -8.677 -0.599 1.00 0.00 H new ATOM 395 N ALA A 27 4.953 -8.207 1.836 1.00 0.00 N ATOM 396 CA ALA A 27 5.872 -7.406 2.691 1.00 0.00 C ATOM 397 C ALA A 27 5.823 -7.952 4.118 1.00 0.00 C ATOM 398 O ALA A 27 6.817 -8.361 4.684 1.00 0.00 O ATOM 399 CB ALA A 27 5.293 -6.000 2.632 1.00 0.00 C ATOM 0 H ALA A 27 4.274 -7.661 1.305 1.00 0.00 H new ATOM 0 HA ALA A 27 6.912 -7.435 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.904 -5.329 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.285 -5.653 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.274 -6.009 3.019 1.00 0.00 H new ATOM 405 N VAL A 28 4.643 -7.977 4.670 1.00 0.00 N ATOM 406 CA VAL A 28 4.422 -8.514 6.040 1.00 0.00 C ATOM 407 C VAL A 28 5.366 -9.699 6.276 1.00 0.00 C ATOM 408 O VAL A 28 6.244 -9.657 7.115 1.00 0.00 O ATOM 409 CB VAL A 28 2.945 -8.943 5.977 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.743 -10.382 6.471 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.087 -8.012 6.823 1.00 0.00 C ATOM 0 H VAL A 28 3.797 -7.637 4.213 1.00 0.00 H new ATOM 0 HA VAL A 28 4.619 -7.817 6.855 1.00 0.00 H new ATOM 0 HB VAL A 28 2.644 -8.889 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.687 -10.643 6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.322 -11.065 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.077 -10.462 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.045 -8.328 6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.424 -8.048 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.177 -6.993 6.448 1.00 0.00 H new ATOM 421 N SER A 29 5.199 -10.744 5.515 1.00 0.00 N ATOM 422 CA SER A 29 6.091 -11.927 5.655 1.00 0.00 C ATOM 423 C SER A 29 7.534 -11.480 5.502 1.00 0.00 C ATOM 424 O SER A 29 8.390 -11.777 6.310 1.00 0.00 O ATOM 425 CB SER A 29 5.736 -12.830 4.490 1.00 0.00 C ATOM 426 OG SER A 29 4.688 -12.243 3.727 1.00 0.00 O ATOM 0 H SER A 29 4.479 -10.829 4.798 1.00 0.00 H new ATOM 0 HA SER A 29 5.974 -12.421 6.619 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.612 -12.988 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.427 -13.808 4.858 1.00 0.00 H new ATOM 0 HG SER A 29 5.047 -11.506 3.191 1.00 0.00 H new ATOM 432 N ASN A 30 7.793 -10.739 4.463 1.00 0.00 N ATOM 433 CA ASN A 30 9.163 -10.225 4.223 1.00 0.00 C ATOM 434 C ASN A 30 9.581 -9.326 5.388 1.00 0.00 C ATOM 435 O ASN A 30 10.709 -8.883 5.472 1.00 0.00 O ATOM 436 CB ASN A 30 9.035 -9.416 2.931 1.00 0.00 C ATOM 437 CG ASN A 30 9.570 -10.240 1.761 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.765 -10.393 1.604 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.726 -10.783 0.927 1.00 0.00 N ATOM 0 H ASN A 30 7.103 -10.466 3.763 1.00 0.00 H new ATOM 0 HA ASN A 30 9.913 -11.012 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.992 -9.151 2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.591 -8.482 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.069 -11.337 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.723 -10.654 1.060 1.00 0.00 H new ATOM 446 N GLY A 31 8.670 -9.049 6.284 1.00 0.00 N ATOM 447 CA GLY A 31 9.012 -8.171 7.443 1.00 0.00 C ATOM 448 C GLY A 31 8.916 -6.711 7.014 1.00 0.00 C ATOM 449 O GLY A 31 9.011 -5.809 7.823 1.00 0.00 O ATOM 0 H GLY A 31 7.709 -9.390 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.332 -8.364 8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.019 -8.393 7.797 1.00 0.00 H new ATOM 453 N ILE A 32 8.716 -6.468 5.749 1.00 0.00 N ATOM 454 CA ILE A 32 8.601 -5.065 5.279 1.00 0.00 C ATOM 455 C ILE A 32 7.696 -4.285 6.232 1.00 0.00 C ATOM 456 O ILE A 32 7.862 -3.097 6.428 1.00 0.00 O ATOM 457 CB ILE A 32 7.992 -5.175 3.878 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.103 -5.464 2.867 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.293 -3.867 3.498 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.554 -5.313 1.448 1.00 0.00 C ATOM 0 H ILE A 32 8.628 -7.180 5.024 1.00 0.00 H new ATOM 0 HA ILE A 32 9.554 -4.536 5.252 1.00 0.00 H new ATOM 0 HB ILE A 32 7.261 -5.983 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.936 -4.778 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.489 -6.473 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.865 -3.960 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.499 -3.657 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.016 -3.052 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.346 -5.519 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.735 -6.016 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.189 -4.296 1.305 1.00 0.00 H new ATOM 472 N TYR A 33 6.733 -4.941 6.826 1.00 0.00 N ATOM 473 CA TYR A 33 5.824 -4.217 7.761 1.00 0.00 C ATOM 474 C TYR A 33 6.046 -4.587 9.219 1.00 0.00 C ATOM 475 O TYR A 33 5.124 -4.985 9.905 1.00 0.00 O ATOM 476 CB TYR A 33 4.421 -4.615 7.355 1.00 0.00 C ATOM 477 CG TYR A 33 4.076 -3.853 6.126 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.829 -2.478 6.194 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.026 -4.520 4.914 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.520 -1.770 5.029 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.717 -3.826 3.753 1.00 0.00 C ATOM 482 CZ TYR A 33 3.458 -2.447 3.800 1.00 0.00 C ATOM 483 OH TYR A 33 3.155 -1.758 2.644 1.00 0.00 O ATOM 0 H TYR A 33 6.539 -5.935 6.706 1.00 0.00 H new ATOM 0 HA TYR A 33 6.009 -3.145 7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.366 -5.688 7.169 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.714 -4.394 8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.877 -1.965 7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.227 -5.580 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.330 -0.708 5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.676 -4.349 2.809 1.00 0.00 H new ATOM 0 HH TYR A 33 3.155 -2.377 1.885 1.00 0.00 H new ATOM 559 N CYS A 39 -5.011 -3.912 11.381 1.00 0.00 N ATOM 560 CA CYS A 39 -5.445 -4.769 10.239 1.00 0.00 C ATOM 561 C CYS A 39 -5.210 -6.241 10.560 1.00 0.00 C ATOM 562 O CYS A 39 -5.978 -7.096 10.167 1.00 0.00 O ATOM 563 CB CYS A 39 -4.553 -4.348 9.084 1.00 0.00 C ATOM 564 SG CYS A 39 -2.824 -4.493 9.593 1.00 0.00 S ATOM 0 HA CYS A 39 -6.506 -4.652 10.018 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.743 -4.976 8.213 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.775 -3.322 8.792 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.137 -3.517 9.078 1.00 0.00 H new ATOM 569 N GLY A 40 -4.146 -6.554 11.259 1.00 0.00 N ATOM 570 CA GLY A 40 -3.869 -7.984 11.568 1.00 0.00 C ATOM 571 C GLY A 40 -4.068 -8.773 10.279 1.00 0.00 C ATOM 572 O GLY A 40 -4.501 -9.909 10.282 1.00 0.00 O ATOM 0 H GLY A 40 -3.466 -5.887 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.852 -8.107 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.540 -8.346 12.347 1.00 0.00 H new ATOM 576 N GLY A 41 -3.783 -8.147 9.169 1.00 0.00 N ATOM 577 CA GLY A 41 -3.981 -8.812 7.858 1.00 0.00 C ATOM 578 C GLY A 41 -5.462 -8.716 7.494 1.00 0.00 C ATOM 579 O GLY A 41 -6.037 -9.633 6.944 1.00 0.00 O ATOM 0 H GLY A 41 -3.419 -7.196 9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.370 -8.334 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.669 -9.855 7.910 1.00 0.00 H new ATOM 583 N SER A 42 -6.091 -7.610 7.811 1.00 0.00 N ATOM 584 CA SER A 42 -7.541 -7.473 7.494 1.00 0.00 C ATOM 585 C SER A 42 -7.878 -6.078 6.965 1.00 0.00 C ATOM 586 O SER A 42 -9.027 -5.769 6.718 1.00 0.00 O ATOM 587 CB SER A 42 -8.269 -7.746 8.808 1.00 0.00 C ATOM 588 OG SER A 42 -9.666 -7.834 8.561 1.00 0.00 O ATOM 0 H SER A 42 -5.665 -6.805 8.271 1.00 0.00 H new ATOM 0 HA SER A 42 -7.839 -8.166 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.907 -8.674 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.064 -6.949 9.523 1.00 0.00 H new ATOM 0 HG SER A 42 -9.905 -7.240 7.819 1.00 0.00 H new ATOM 594 N ALA A 43 -6.892 -5.250 6.751 1.00 0.00 N ATOM 595 CA ALA A 43 -7.158 -3.889 6.186 1.00 0.00 C ATOM 596 C ALA A 43 -7.807 -2.930 7.193 1.00 0.00 C ATOM 597 O ALA A 43 -8.691 -2.173 6.858 1.00 0.00 O ATOM 598 CB ALA A 43 -8.101 -4.131 5.020 1.00 0.00 C ATOM 0 H ALA A 43 -5.911 -5.454 6.942 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.222 -3.410 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.347 -3.180 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.619 -4.784 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.014 -4.603 5.382 1.00 0.00 H new ATOM 604 N SER A 44 -7.351 -2.930 8.396 1.00 0.00 N ATOM 605 CA SER A 44 -7.890 -1.983 9.417 1.00 0.00 C ATOM 606 C SER A 44 -6.699 -1.331 10.123 1.00 0.00 C ATOM 607 O SER A 44 -6.641 -1.277 11.336 1.00 0.00 O ATOM 608 CB SER A 44 -8.693 -2.848 10.388 1.00 0.00 C ATOM 609 OG SER A 44 -9.683 -2.047 11.020 1.00 0.00 O ATOM 0 H SER A 44 -6.616 -3.551 8.734 1.00 0.00 H new ATOM 0 HA SER A 44 -8.515 -1.195 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.163 -3.674 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.032 -3.286 11.135 1.00 0.00 H new ATOM 0 HG SER A 44 -9.250 -1.313 11.503 1.00 0.00 H new ATOM 615 N CYS A 45 -5.707 -0.910 9.379 1.00 0.00 N ATOM 616 CA CYS A 45 -4.487 -0.355 10.052 1.00 0.00 C ATOM 617 C CYS A 45 -4.220 1.149 9.885 1.00 0.00 C ATOM 618 O CYS A 45 -4.131 1.688 8.807 1.00 0.00 O ATOM 619 CB CYS A 45 -3.292 -1.158 9.513 1.00 0.00 C ATOM 620 SG CYS A 45 -3.508 -1.595 7.769 1.00 0.00 S ATOM 0 H CYS A 45 -5.684 -0.924 8.359 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.650 -0.457 11.125 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.379 -0.575 9.631 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.169 -2.066 10.103 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.755 -2.615 7.481 1.00 0.00 H new ATOM 625 N ALA A 46 -3.981 1.817 10.972 1.00 0.00 N ATOM 626 CA ALA A 46 -3.617 3.252 10.882 1.00 0.00 C ATOM 627 C ALA A 46 -2.085 3.355 10.820 1.00 0.00 C ATOM 628 O ALA A 46 -1.518 4.427 10.875 1.00 0.00 O ATOM 629 CB ALA A 46 -4.154 3.886 12.166 1.00 0.00 C ATOM 0 H ALA A 46 -4.022 1.434 11.916 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.026 3.749 10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.922 4.951 12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.234 3.750 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.689 3.409 13.029 1.00 0.00 H new ATOM 635 N THR A 47 -1.412 2.228 10.723 1.00 0.00 N ATOM 636 CA THR A 47 0.082 2.235 10.678 1.00 0.00 C ATOM 637 C THR A 47 0.612 1.825 9.292 1.00 0.00 C ATOM 638 O THR A 47 1.567 2.393 8.801 1.00 0.00 O ATOM 639 CB THR A 47 0.501 1.215 11.734 1.00 0.00 C ATOM 640 OG1 THR A 47 -0.252 0.023 11.561 1.00 0.00 O ATOM 641 CG2 THR A 47 0.237 1.788 13.126 1.00 0.00 C ATOM 0 H THR A 47 -1.839 1.303 10.673 1.00 0.00 H new ATOM 0 HA THR A 47 0.485 3.230 10.867 1.00 0.00 H new ATOM 0 HB THR A 47 1.563 0.993 11.628 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.016 -0.634 12.237 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.536 1.061 13.881 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.812 2.705 13.257 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.825 2.008 13.234 1.00 0.00 H new ATOM 649 N CYS A 48 0.010 0.848 8.650 1.00 0.00 N ATOM 650 CA CYS A 48 0.514 0.435 7.296 1.00 0.00 C ATOM 651 C CYS A 48 0.025 1.400 6.209 1.00 0.00 C ATOM 652 O CYS A 48 -0.049 1.046 5.051 1.00 0.00 O ATOM 653 CB CYS A 48 -0.013 -0.977 7.020 1.00 0.00 C ATOM 654 SG CYS A 48 -0.168 -1.968 8.522 1.00 0.00 S ATOM 0 H CYS A 48 -0.795 0.326 8.997 1.00 0.00 H new ATOM 0 HA CYS A 48 1.604 0.454 7.283 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.986 -0.909 6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.658 -1.481 6.324 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.081 -3.230 8.220 1.00 0.00 H new ATOM 659 N HIS A 49 -0.298 2.621 6.558 1.00 0.00 N ATOM 660 CA HIS A 49 -0.755 3.587 5.519 1.00 0.00 C ATOM 661 C HIS A 49 0.204 3.497 4.326 1.00 0.00 C ATOM 662 O HIS A 49 1.402 3.404 4.500 1.00 0.00 O ATOM 663 CB HIS A 49 -0.683 4.952 6.216 1.00 0.00 C ATOM 664 CG HIS A 49 -1.422 6.000 5.420 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.799 7.216 5.974 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.871 6.031 4.125 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.451 7.912 5.023 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.517 7.239 3.881 1.00 0.00 N ATOM 0 H HIS A 49 -0.265 2.986 7.510 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.758 3.400 5.136 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.112 4.878 7.215 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.359 5.249 6.338 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.743 5.238 3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.869 8.897 5.171 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.950 7.543 3.009 1.00 0.00 H new ATOM 676 N VAL A 50 -0.304 3.494 3.122 1.00 0.00 N ATOM 677 CA VAL A 50 0.588 3.378 1.933 1.00 0.00 C ATOM 678 C VAL A 50 0.044 4.173 0.774 1.00 0.00 C ATOM 679 O VAL A 50 -1.147 4.365 0.623 1.00 0.00 O ATOM 680 CB VAL A 50 0.555 1.921 1.520 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.227 1.061 2.575 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.904 1.515 1.333 1.00 0.00 C ATOM 0 H VAL A 50 -1.299 3.567 2.911 1.00 0.00 H new ATOM 0 HA VAL A 50 1.586 3.741 2.181 1.00 0.00 H new ATOM 0 HB VAL A 50 1.098 1.778 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.197 0.016 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.264 1.374 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.703 1.174 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.955 0.468 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.443 1.652 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.358 2.135 0.560 1.00 0.00 H new ATOM 692 N TYR A 51 0.913 4.596 -0.066 1.00 0.00 N ATOM 693 CA TYR A 51 0.474 5.342 -1.263 1.00 0.00 C ATOM 694 C TYR A 51 0.973 4.641 -2.524 1.00 0.00 C ATOM 695 O TYR A 51 2.137 4.321 -2.651 1.00 0.00 O ATOM 696 CB TYR A 51 1.047 6.732 -1.076 1.00 0.00 C ATOM 697 CG TYR A 51 0.090 7.481 -0.184 1.00 0.00 C ATOM 698 CD1 TYR A 51 0.146 7.341 1.218 1.00 0.00 C ATOM 699 CD2 TYR A 51 -0.885 8.295 -0.762 1.00 0.00 C ATOM 700 CE1 TYR A 51 -0.780 8.026 2.019 1.00 0.00 C ATOM 701 CE2 TYR A 51 -1.798 8.971 0.041 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.750 8.837 1.431 1.00 0.00 C ATOM 703 OH TYR A 51 -2.661 9.511 2.220 1.00 0.00 O ATOM 0 H TYR A 51 1.920 4.460 0.018 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.609 5.392 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.038 6.684 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.157 7.237 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.896 6.711 1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.931 8.400 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.741 7.925 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.548 9.603 -0.412 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.583 10.475 2.059 1.00 0.00 H new ATOM 713 N VAL A 52 0.098 4.385 -3.450 1.00 0.00 N ATOM 714 CA VAL A 52 0.530 3.681 -4.701 1.00 0.00 C ATOM 715 C VAL A 52 0.873 4.717 -5.795 1.00 0.00 C ATOM 716 O VAL A 52 0.577 5.887 -5.655 1.00 0.00 O ATOM 717 CB VAL A 52 -0.669 2.809 -5.113 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.264 1.827 -6.226 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.155 2.011 -3.899 1.00 0.00 C ATOM 0 H VAL A 52 -0.892 4.627 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 52 1.424 3.075 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.463 3.458 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.124 1.218 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.083 2.385 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.537 1.180 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.005 1.392 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.348 1.374 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.458 2.698 -3.109 1.00 0.00 H new ATOM 729 N ASN A 53 1.489 4.307 -6.884 1.00 0.00 N ATOM 730 CA ASN A 53 1.833 5.290 -7.966 1.00 0.00 C ATOM 731 C ASN A 53 0.545 5.797 -8.626 1.00 0.00 C ATOM 732 O ASN A 53 -0.471 5.923 -7.984 1.00 0.00 O ATOM 733 CB ASN A 53 2.670 4.493 -8.969 1.00 0.00 C ATOM 734 CG ASN A 53 1.926 3.211 -9.298 1.00 0.00 C ATOM 735 OD1 ASN A 53 0.994 3.226 -10.077 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.280 2.106 -8.713 1.00 0.00 N ATOM 0 H ASN A 53 1.766 3.343 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 53 2.371 6.160 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.837 5.078 -9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.650 4.266 -8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.774 1.242 -8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.064 2.103 -8.060 1.00 0.00 H new ATOM 743 N GLU A 54 0.579 6.108 -9.895 1.00 0.00 N ATOM 744 CA GLU A 54 -0.655 6.599 -10.577 1.00 0.00 C ATOM 745 C GLU A 54 -1.300 5.506 -11.452 1.00 0.00 C ATOM 746 O GLU A 54 -2.427 5.642 -11.886 1.00 0.00 O ATOM 747 CB GLU A 54 -0.184 7.766 -11.445 1.00 0.00 C ATOM 748 CG GLU A 54 0.832 7.262 -12.472 1.00 0.00 C ATOM 749 CD GLU A 54 0.760 8.128 -13.730 1.00 0.00 C ATOM 750 OE1 GLU A 54 1.170 9.275 -13.660 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.295 7.631 -14.742 1.00 0.00 O ATOM 0 H GLU A 54 1.406 6.043 -10.488 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.417 6.891 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.034 8.222 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.266 8.538 -10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.837 7.296 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.626 6.221 -12.722 1.00 0.00 H new ATOM 758 N ALA A 55 -0.582 4.455 -11.770 1.00 0.00 N ATOM 759 CA ALA A 55 -1.157 3.408 -12.682 1.00 0.00 C ATOM 760 C ALA A 55 -1.685 2.159 -11.953 1.00 0.00 C ATOM 761 O ALA A 55 -2.665 1.573 -12.368 1.00 0.00 O ATOM 762 CB ALA A 55 0.006 3.022 -13.596 1.00 0.00 C ATOM 0 H ALA A 55 0.367 4.275 -11.443 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.026 3.807 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.323 2.258 -14.300 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.344 3.901 -14.146 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.827 2.632 -12.995 1.00 0.00 H new ATOM 768 N PHE A 56 -1.047 1.715 -10.905 1.00 0.00 N ATOM 769 CA PHE A 56 -1.535 0.473 -10.221 1.00 0.00 C ATOM 770 C PHE A 56 -2.652 0.801 -9.230 1.00 0.00 C ATOM 771 O PHE A 56 -3.323 -0.077 -8.725 1.00 0.00 O ATOM 772 CB PHE A 56 -0.305 -0.082 -9.493 1.00 0.00 C ATOM 773 CG PHE A 56 0.713 -0.536 -10.523 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.588 0.409 -11.083 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.797 -1.887 -10.938 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.525 0.020 -12.043 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.739 -2.262 -11.895 1.00 0.00 C ATOM 778 CZ PHE A 56 2.598 -1.312 -12.452 1.00 0.00 C ATOM 0 H PHE A 56 -0.220 2.148 -10.494 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.954 -0.246 -10.925 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.127 0.682 -8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.591 -0.916 -8.852 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.536 1.441 -10.770 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.133 -2.626 -10.514 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.195 0.752 -12.470 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.805 -3.294 -12.208 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.319 -1.608 -13.199 1.00 0.00 H new ATOM 788 N THR A 57 -2.863 2.054 -8.954 1.00 0.00 N ATOM 789 CA THR A 57 -3.951 2.431 -7.997 1.00 0.00 C ATOM 790 C THR A 57 -5.304 2.446 -8.719 1.00 0.00 C ATOM 791 O THR A 57 -6.340 2.224 -8.127 1.00 0.00 O ATOM 792 CB THR A 57 -3.616 3.839 -7.482 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.328 4.801 -8.250 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.118 4.106 -7.600 1.00 0.00 C ATOM 0 H THR A 57 -2.335 2.835 -9.344 1.00 0.00 H new ATOM 0 HA THR A 57 -4.017 1.717 -7.176 1.00 0.00 H new ATOM 0 HB THR A 57 -3.905 3.911 -6.434 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.693 5.405 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.897 5.108 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.570 3.372 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.816 4.029 -8.644 1.00 0.00 H new ATOM 802 N ASP A 58 -5.300 2.731 -9.994 1.00 0.00 N ATOM 803 CA ASP A 58 -6.582 2.781 -10.757 1.00 0.00 C ATOM 804 C ASP A 58 -7.038 1.367 -11.125 1.00 0.00 C ATOM 805 O ASP A 58 -8.213 1.107 -11.292 1.00 0.00 O ATOM 806 CB ASP A 58 -6.263 3.585 -12.017 1.00 0.00 C ATOM 807 CG ASP A 58 -5.045 2.980 -12.716 1.00 0.00 C ATOM 808 OD1 ASP A 58 -5.217 1.996 -13.416 1.00 0.00 O ATOM 809 OD2 ASP A 58 -3.961 3.510 -12.540 1.00 0.00 O ATOM 0 H ASP A 58 -4.463 2.932 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.387 3.232 -10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.120 3.581 -12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.066 4.625 -11.757 1.00 0.00 H new ATOM 814 N LYS A 59 -6.118 0.453 -11.247 1.00 0.00 N ATOM 815 CA LYS A 59 -6.498 -0.944 -11.597 1.00 0.00 C ATOM 816 C LYS A 59 -7.003 -1.664 -10.350 1.00 0.00 C ATOM 817 O LYS A 59 -8.071 -2.245 -10.337 1.00 0.00 O ATOM 818 CB LYS A 59 -5.205 -1.587 -12.092 1.00 0.00 C ATOM 819 CG LYS A 59 -4.707 -0.849 -13.337 1.00 0.00 C ATOM 820 CD LYS A 59 -5.863 -0.677 -14.324 1.00 0.00 C ATOM 821 CE LYS A 59 -5.355 -0.904 -15.750 1.00 0.00 C ATOM 822 NZ LYS A 59 -4.312 0.138 -15.955 1.00 0.00 N ATOM 0 H LYS A 59 -5.119 0.612 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.290 -0.990 -12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.447 -1.552 -11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.376 -2.638 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.304 0.125 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.896 -1.408 -13.804 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.660 -1.384 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.287 0.323 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.941 -1.906 -15.867 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.161 -0.805 -16.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.379 0.510 -16.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.457 0.912 -15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.371 -0.279 -15.808 1.00 0.00 H new ATOM 836 N VAL A 60 -6.241 -1.618 -9.295 1.00 0.00 N ATOM 837 CA VAL A 60 -6.655 -2.277 -8.036 1.00 0.00 C ATOM 838 C VAL A 60 -8.144 -2.035 -7.773 1.00 0.00 C ATOM 839 O VAL A 60 -8.701 -1.050 -8.216 1.00 0.00 O ATOM 840 CB VAL A 60 -5.797 -1.596 -6.974 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.349 -2.064 -7.108 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.855 -0.081 -7.166 1.00 0.00 C ATOM 0 H VAL A 60 -5.338 -1.145 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.521 -3.359 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.175 -1.855 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.737 -1.577 -6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.302 -3.145 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.973 -1.805 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.242 0.406 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.478 0.175 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.886 0.258 -7.072 1.00 0.00 H new ATOM 852 N PRO A 61 -8.735 -2.948 -7.055 1.00 0.00 N ATOM 853 CA PRO A 61 -10.178 -2.848 -6.717 1.00 0.00 C ATOM 854 C PRO A 61 -10.475 -1.655 -5.823 1.00 0.00 C ATOM 855 O PRO A 61 -9.612 -1.088 -5.183 1.00 0.00 O ATOM 856 CB PRO A 61 -10.474 -4.157 -5.997 1.00 0.00 C ATOM 857 CG PRO A 61 -9.148 -4.612 -5.480 1.00 0.00 C ATOM 858 CD PRO A 61 -8.127 -4.156 -6.489 1.00 0.00 C ATOM 0 HA PRO A 61 -10.796 -2.697 -7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.187 -4.010 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.909 -4.892 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.944 -4.183 -4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.125 -5.696 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.166 -3.942 -6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.949 -4.913 -7.253 1.00 0.00 H new ATOM 866 N ALA A 62 -11.713 -1.282 -5.805 1.00 0.00 N ATOM 867 CA ALA A 62 -12.165 -0.127 -4.995 1.00 0.00 C ATOM 868 C ALA A 62 -12.369 -0.532 -3.534 1.00 0.00 C ATOM 869 O ALA A 62 -13.196 -1.364 -3.216 1.00 0.00 O ATOM 870 CB ALA A 62 -13.485 0.265 -5.644 1.00 0.00 C ATOM 0 H ALA A 62 -12.454 -1.742 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.443 0.690 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.910 1.119 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.313 0.531 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.179 -0.574 -5.594 1.00 0.00 H new ATOM 876 N ALA A 63 -11.626 0.058 -2.647 1.00 0.00 N ATOM 877 CA ALA A 63 -11.773 -0.276 -1.200 1.00 0.00 C ATOM 878 C ALA A 63 -13.113 0.256 -0.677 1.00 0.00 C ATOM 879 O ALA A 63 -13.748 1.081 -1.303 1.00 0.00 O ATOM 880 CB ALA A 63 -10.605 0.429 -0.510 1.00 0.00 C ATOM 0 H ALA A 63 -10.918 0.761 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.761 -1.350 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.642 0.232 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.664 0.056 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.674 1.503 -0.684 1.00 0.00 H new ATOM 886 N ASN A 64 -13.553 -0.213 0.461 1.00 0.00 N ATOM 887 CA ASN A 64 -14.856 0.267 1.009 1.00 0.00 C ATOM 888 C ASN A 64 -14.637 1.327 2.094 1.00 0.00 C ATOM 889 O ASN A 64 -13.552 1.845 2.265 1.00 0.00 O ATOM 890 CB ASN A 64 -15.522 -0.972 1.607 1.00 0.00 C ATOM 891 CG ASN A 64 -14.541 -1.675 2.548 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.401 -1.274 2.667 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.941 -2.717 3.226 1.00 0.00 N ATOM 0 H ASN A 64 -13.069 -0.905 1.033 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.468 0.732 0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.423 -0.687 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.830 -1.651 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.296 -3.194 3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.899 -3.054 3.126 1.00 0.00 H new ATOM 900 N GLU A 65 -15.670 1.649 2.827 1.00 0.00 N ATOM 901 CA GLU A 65 -15.543 2.672 3.906 1.00 0.00 C ATOM 902 C GLU A 65 -14.457 2.265 4.906 1.00 0.00 C ATOM 903 O GLU A 65 -13.923 3.086 5.624 1.00 0.00 O ATOM 904 CB GLU A 65 -16.917 2.700 4.578 1.00 0.00 C ATOM 905 CG GLU A 65 -17.076 1.473 5.479 1.00 0.00 C ATOM 906 CD GLU A 65 -18.485 1.457 6.078 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.034 2.529 6.275 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.988 0.375 6.329 1.00 0.00 O ATOM 0 H GLU A 65 -16.601 1.245 2.724 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.256 3.650 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.026 3.611 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.702 2.712 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.903 0.563 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.331 1.494 6.275 1.00 0.00 H new ATOM 915 N ARG A 66 -14.122 1.004 4.955 1.00 0.00 N ATOM 916 CA ARG A 66 -13.066 0.557 5.906 1.00 0.00 C ATOM 917 C ARG A 66 -11.730 1.186 5.529 1.00 0.00 C ATOM 918 O ARG A 66 -11.077 1.805 6.338 1.00 0.00 O ATOM 919 CB ARG A 66 -12.983 -0.960 5.744 1.00 0.00 C ATOM 920 CG ARG A 66 -13.235 -1.626 7.096 1.00 0.00 C ATOM 921 CD ARG A 66 -12.918 -3.118 6.995 1.00 0.00 C ATOM 922 NE ARG A 66 -13.384 -3.699 8.284 1.00 0.00 N ATOM 923 CZ ARG A 66 -12.515 -4.075 9.183 1.00 0.00 C ATOM 924 NH1 ARG A 66 -11.646 -3.219 9.648 1.00 0.00 N ATOM 925 NH2 ARG A 66 -12.514 -5.306 9.614 1.00 0.00 N ATOM 0 H ARG A 66 -14.532 0.268 4.380 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.296 0.847 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.719 -1.300 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.002 -1.244 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.615 -1.162 7.863 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.273 -1.483 7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.431 -3.574 6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.851 -3.286 6.849 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.382 -3.803 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.646 -2.257 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.967 -3.512 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.192 -5.975 9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.835 -5.600 10.316 1.00 0.00 H new ATOM 939 N GLU A 67 -11.325 1.028 4.302 1.00 0.00 N ATOM 940 CA GLU A 67 -10.026 1.602 3.853 1.00 0.00 C ATOM 941 C GLU A 67 -10.016 3.124 4.043 1.00 0.00 C ATOM 942 O GLU A 67 -8.991 3.761 3.944 1.00 0.00 O ATOM 943 CB GLU A 67 -9.960 1.237 2.363 1.00 0.00 C ATOM 944 CG GLU A 67 -9.064 2.221 1.608 1.00 0.00 C ATOM 945 CD GLU A 67 -7.698 2.296 2.285 1.00 0.00 C ATOM 946 OE1 GLU A 67 -7.499 1.586 3.257 1.00 0.00 O ATOM 947 OE2 GLU A 67 -6.875 3.063 1.821 1.00 0.00 O ATOM 0 H GLU A 67 -11.842 0.521 3.584 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.175 1.220 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.575 0.224 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.963 1.248 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.950 1.903 0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.526 3.208 1.589 1.00 0.00 H new ATOM 954 N ILE A 68 -11.144 3.714 4.300 1.00 0.00 N ATOM 955 CA ILE A 68 -11.180 5.192 4.481 1.00 0.00 C ATOM 956 C ILE A 68 -10.983 5.578 5.958 1.00 0.00 C ATOM 957 O ILE A 68 -10.820 6.736 6.277 1.00 0.00 O ATOM 958 CB ILE A 68 -12.570 5.599 3.987 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.563 5.668 2.457 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.954 6.967 4.554 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.781 4.268 1.879 1.00 0.00 C ATOM 0 H ILE A 68 -12.043 3.241 4.393 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.381 5.695 3.936 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.297 4.859 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.346 6.342 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.614 6.074 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.945 7.245 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.963 6.920 5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.228 7.712 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.776 4.319 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.982 3.607 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.741 3.879 2.219 1.00 0.00 H new ATOM 973 N GLY A 69 -11.012 4.628 6.859 1.00 0.00 N ATOM 974 CA GLY A 69 -10.837 4.972 8.308 1.00 0.00 C ATOM 975 C GLY A 69 -9.355 4.924 8.688 1.00 0.00 C ATOM 976 O GLY A 69 -8.707 5.944 8.791 1.00 0.00 O ATOM 0 H GLY A 69 -11.148 3.637 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.238 5.966 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.401 4.273 8.926 1.00 0.00 H new ATOM 980 N MET A 70 -8.808 3.759 8.914 1.00 0.00 N ATOM 981 CA MET A 70 -7.356 3.704 9.296 1.00 0.00 C ATOM 982 C MET A 70 -6.553 4.571 8.332 1.00 0.00 C ATOM 983 O MET A 70 -5.611 5.238 8.709 1.00 0.00 O ATOM 984 CB MET A 70 -6.844 2.253 9.149 1.00 0.00 C ATOM 985 CG MET A 70 -7.910 1.267 8.659 1.00 0.00 C ATOM 986 SD MET A 70 -8.476 1.701 7.000 1.00 0.00 S ATOM 987 CE MET A 70 -7.938 0.169 6.221 1.00 0.00 C ATOM 0 H MET A 70 -9.286 2.860 8.854 1.00 0.00 H new ATOM 0 HA MET A 70 -7.242 4.053 10.322 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.005 2.242 8.453 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.463 1.913 10.112 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.502 0.256 8.655 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.755 1.267 9.347 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.188 0.391 5.462 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.507 -0.491 6.974 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.792 -0.322 5.755 1.00 0.00 H new ATOM 997 N LEU A 71 -6.931 4.566 7.089 1.00 0.00 N ATOM 998 CA LEU A 71 -6.217 5.382 6.078 1.00 0.00 C ATOM 999 C LEU A 71 -6.471 6.861 6.386 1.00 0.00 C ATOM 1000 O LEU A 71 -5.703 7.734 6.035 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.872 4.947 4.761 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.949 5.115 3.542 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.694 5.917 2.480 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.669 5.860 3.902 1.00 0.00 C ATOM 0 H LEU A 71 -7.715 4.024 6.727 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.135 5.250 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.173 3.902 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.780 5.529 4.604 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.677 4.124 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.055 6.047 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.600 5.384 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.961 6.894 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.044 5.959 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.919 6.851 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.128 5.304 4.668 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.548 7.131 7.070 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.885 8.530 7.450 1.00 0.00 C ATOM 1018 C GLU A 72 -7.263 8.863 8.813 1.00 0.00 C ATOM 1019 O GLU A 72 -6.775 9.954 9.029 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.417 8.546 7.529 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.893 9.593 8.542 1.00 0.00 C ATOM 1022 CD GLU A 72 -11.049 10.395 7.942 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -11.829 9.814 7.205 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.138 11.577 8.232 1.00 0.00 O ATOM 0 H GLU A 72 -8.218 6.430 7.386 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.505 9.267 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.835 8.766 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.782 7.560 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.214 9.105 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.072 10.260 8.805 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.279 7.936 9.736 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.689 8.227 11.072 1.00 0.00 C ATOM 1033 C CYS A 73 -5.309 8.837 10.864 1.00 0.00 C ATOM 1034 O CYS A 73 -4.946 9.820 11.479 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.586 6.872 11.772 1.00 0.00 C ATOM 1036 SG CYS A 73 -8.105 6.559 12.707 1.00 0.00 S ATOM 0 H CYS A 73 -7.671 7.001 9.623 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.281 8.926 11.663 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.429 6.082 11.037 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.726 6.861 12.441 1.00 0.00 H new ATOM 0 HG CYS A 73 -8.019 5.406 13.301 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.555 8.278 9.966 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.210 8.843 9.669 1.00 0.00 C ATOM 1044 C VAL A 74 -3.351 9.872 8.545 1.00 0.00 C ATOM 1045 O VAL A 74 -2.976 9.636 7.414 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.326 7.664 9.236 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.808 6.942 10.479 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.127 6.682 8.377 1.00 0.00 C ATOM 0 H VAL A 74 -4.810 7.453 9.423 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.767 9.343 10.530 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.491 8.045 8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.180 6.104 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.223 7.634 11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.651 6.572 11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.486 5.853 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.971 6.300 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.496 7.193 7.488 1.00 0.00 H new ATOM 1058 N THR A 75 -3.919 11.007 8.854 1.00 0.00 N ATOM 1059 CA THR A 75 -4.127 12.060 7.821 1.00 0.00 C ATOM 1060 C THR A 75 -2.853 12.304 7.014 1.00 0.00 C ATOM 1061 O THR A 75 -1.918 12.934 7.469 1.00 0.00 O ATOM 1062 CB THR A 75 -4.486 13.311 8.620 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.806 14.368 7.725 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.294 13.718 9.490 1.00 0.00 C ATOM 0 H THR A 75 -4.251 11.251 9.787 1.00 0.00 H new ATOM 0 HA THR A 75 -4.897 11.776 7.103 1.00 0.00 H new ATOM 0 HB THR A 75 -5.346 13.104 9.257 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.038 15.171 8.237 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.548 14.611 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.050 12.906 10.175 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.434 13.927 8.854 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.823 11.817 5.808 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.631 12.019 4.939 1.00 0.00 C ATOM 1074 C ALA A 76 -2.072 12.636 3.609 1.00 0.00 C ATOM 1075 O ALA A 76 -1.899 12.049 2.560 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.060 10.617 4.717 1.00 0.00 C ATOM 0 H ALA A 76 -3.580 11.282 5.382 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.894 12.688 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.175 10.681 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.788 10.179 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.809 9.991 4.232 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.658 13.807 3.655 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.138 14.467 2.401 1.00 0.00 C ATOM 1084 C GLU A 77 -3.743 13.425 1.469 1.00 0.00 C ATOM 1085 O GLU A 77 -3.344 13.269 0.333 1.00 0.00 O ATOM 1086 CB GLU A 77 -1.913 15.149 1.777 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.776 14.142 1.594 1.00 0.00 C ATOM 1088 CD GLU A 77 0.350 14.789 0.785 1.00 0.00 C ATOM 1089 OE1 GLU A 77 0.057 15.686 0.012 1.00 0.00 O ATOM 1090 OE2 GLU A 77 1.486 14.376 0.952 1.00 0.00 O ATOM 0 H GLU A 77 -2.825 14.336 4.511 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.918 15.203 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.182 15.582 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.582 15.969 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.402 13.819 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.142 13.252 1.082 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.709 12.715 1.966 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.390 11.661 1.170 1.00 0.00 C ATOM 1099 C LEU A 78 -5.483 12.031 -0.315 1.00 0.00 C ATOM 1100 O LEU A 78 -5.692 13.172 -0.676 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.775 11.594 1.789 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.954 10.235 2.464 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.965 10.104 3.623 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.379 10.118 2.997 1.00 0.00 C ATOM 0 H LEU A 78 -5.065 12.823 2.916 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.852 10.713 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.901 12.395 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.537 11.737 1.023 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.769 9.443 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.094 9.134 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.947 10.189 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.149 10.896 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.509 9.149 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.563 10.911 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.085 10.210 2.172 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.347 11.055 -1.170 1.00 0.00 N ATOM 1117 CA LYS A 79 -5.443 11.302 -2.639 1.00 0.00 C ATOM 1118 C LYS A 79 -6.335 10.211 -3.236 1.00 0.00 C ATOM 1119 O LYS A 79 -6.860 9.393 -2.507 1.00 0.00 O ATOM 1120 CB LYS A 79 -4.010 11.214 -3.228 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.970 10.831 -2.173 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.666 11.569 -2.405 1.00 0.00 C ATOM 1123 CE LYS A 79 -1.508 12.636 -1.330 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.112 13.138 -1.472 1.00 0.00 N ATOM 0 H LYS A 79 -5.171 10.084 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.867 12.281 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.995 10.479 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.741 12.174 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.352 11.063 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.794 9.756 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.828 10.873 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.662 12.027 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.231 13.441 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.677 12.221 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.506 12.641 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.222 12.965 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.088 14.159 -1.275 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.485 10.212 -4.530 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.331 9.179 -5.179 1.00 0.00 C ATOM 1140 C PRO A 80 -6.715 7.780 -5.056 1.00 0.00 C ATOM 1141 O PRO A 80 -7.409 6.785 -5.121 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.376 9.621 -6.637 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.156 10.459 -6.824 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.909 11.146 -5.510 1.00 0.00 C ATOM 0 HA PRO A 80 -8.316 9.102 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.373 8.763 -7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.282 10.189 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.302 9.844 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.303 11.187 -7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.846 11.309 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.392 12.122 -5.469 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.422 7.685 -4.912 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.788 6.331 -4.829 1.00 0.00 C ATOM 1154 C ASN A 81 -4.201 6.017 -3.440 1.00 0.00 C ATOM 1155 O ASN A 81 -3.561 5.000 -3.262 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.672 6.369 -5.866 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.766 7.573 -5.601 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.131 8.479 -4.878 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.589 7.619 -6.159 1.00 0.00 N ATOM 0 H ASN A 81 -4.780 8.475 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.529 5.552 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.091 5.448 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.095 6.433 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.975 8.415 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.282 6.859 -6.766 1.00 0.00 H new ATOM 1166 N SER A 82 -4.403 6.847 -2.453 1.00 0.00 N ATOM 1167 CA SER A 82 -3.832 6.521 -1.100 1.00 0.00 C ATOM 1168 C SER A 82 -4.359 5.165 -0.649 1.00 0.00 C ATOM 1169 O SER A 82 -5.458 4.778 -0.992 1.00 0.00 O ATOM 1170 CB SER A 82 -4.339 7.606 -0.150 1.00 0.00 C ATOM 1171 OG SER A 82 -4.456 8.833 -0.844 1.00 0.00 O ATOM 0 H SER A 82 -4.926 7.720 -2.514 1.00 0.00 H new ATOM 0 HA SER A 82 -2.743 6.484 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.305 7.318 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.653 7.717 0.690 1.00 0.00 H new ATOM 0 HG SER A 82 -5.309 8.856 -1.326 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.599 4.434 0.115 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.102 3.104 0.563 1.00 0.00 C ATOM 1179 C ARG A 83 -3.456 2.668 1.881 1.00 0.00 C ATOM 1180 O ARG A 83 -2.599 3.329 2.428 1.00 0.00 O ATOM 1181 CB ARG A 83 -3.692 2.128 -0.549 1.00 0.00 C ATOM 1182 CG ARG A 83 -4.788 2.022 -1.618 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.037 1.369 -1.026 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.667 0.659 -2.177 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.737 1.148 -2.741 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.011 2.419 -2.635 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.533 0.364 -3.417 1.00 0.00 N ATOM 0 H ARG A 83 -2.669 4.691 0.445 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.178 3.134 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.762 2.464 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.499 1.144 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.032 3.014 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.427 1.436 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.781 0.676 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.711 2.113 -0.601 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.261 -0.210 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.388 3.033 -2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.848 2.799 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.318 -0.629 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.370 0.745 -3.858 1.00 0.00 H new ATOM 1201 N LEU A 84 -3.846 1.516 2.347 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.265 0.930 3.588 1.00 0.00 C ATOM 1203 C LEU A 84 -2.534 -0.339 3.158 1.00 0.00 C ATOM 1204 O LEU A 84 -3.043 -1.097 2.358 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.450 0.578 4.505 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.265 1.218 5.865 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.287 0.605 6.808 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -2.861 0.925 6.376 1.00 0.00 C ATOM 0 H LEU A 84 -4.564 0.940 1.907 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.581 1.600 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.382 0.923 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.528 -0.504 4.611 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.400 2.298 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.179 1.047 7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.291 0.799 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.125 -0.471 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.727 1.385 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.722 -0.153 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.128 1.333 5.680 1.00 0.00 H new ATOM 1220 N SER A 85 -1.340 -0.567 3.634 1.00 0.00 N ATOM 1221 CA SER A 85 -0.610 -1.784 3.184 1.00 0.00 C ATOM 1222 C SER A 85 -1.560 -2.986 3.083 1.00 0.00 C ATOM 1223 O SER A 85 -1.329 -3.909 2.328 1.00 0.00 O ATOM 1224 CB SER A 85 0.449 -2.062 4.217 1.00 0.00 C ATOM 1225 OG SER A 85 1.154 -0.864 4.501 1.00 0.00 O ATOM 0 H SER A 85 -0.847 0.025 4.302 1.00 0.00 H new ATOM 0 HA SER A 85 -0.176 -1.623 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.008 -2.453 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.137 -2.825 3.853 1.00 0.00 H new ATOM 0 HG SER A 85 2.035 -0.894 4.073 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.617 -3.000 3.867 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.553 -4.170 3.841 1.00 0.00 C ATOM 1233 C CYS A 86 -4.883 -3.831 3.143 1.00 0.00 C ATOM 1234 O CYS A 86 -5.945 -4.173 3.619 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.748 -4.567 5.314 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.115 -4.518 6.112 1.00 0.00 S ATOM 0 H CYS A 86 -2.869 -2.257 4.518 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.145 -4.997 3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.437 -3.882 5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.182 -5.564 5.388 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.264 -4.483 7.403 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.825 -3.179 2.002 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.083 -2.836 1.255 1.00 0.00 C ATOM 1243 C GLN A 87 -6.037 -3.350 -0.172 1.00 0.00 C ATOM 1244 O GLN A 87 -6.981 -3.918 -0.683 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.135 -1.315 1.176 1.00 0.00 C ATOM 1246 CG GLN A 87 -5.975 -0.717 2.552 1.00 0.00 C ATOM 1247 CD GLN A 87 -7.114 -1.178 3.439 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -8.261 -1.149 3.044 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -6.845 -1.615 4.622 1.00 0.00 N ATOM 0 H GLN A 87 -3.962 -2.870 1.556 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.939 -3.279 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.346 -0.950 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.083 -0.998 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.020 -1.018 2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.967 0.371 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.879 -1.638 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.598 -1.938 5.230 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.955 -3.094 -0.830 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.836 -3.497 -2.257 1.00 0.00 C ATOM 1260 C ILE A 88 -4.386 -4.943 -2.393 1.00 0.00 C ATOM 1261 O ILE A 88 -3.643 -5.464 -1.584 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.786 -2.583 -2.903 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.653 -1.253 -2.145 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.208 -2.297 -4.342 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.882 -0.243 -3.001 1.00 0.00 C ATOM 0 H ILE A 88 -4.138 -2.620 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.808 -3.406 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.821 -3.088 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.641 -0.861 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.135 -1.413 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.471 -1.648 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.274 -3.234 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.180 -1.804 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.790 0.698 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.888 -0.634 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.418 -0.073 -3.935 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.813 -5.576 -3.439 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.409 -6.976 -3.695 1.00 0.00 C ATOM 1279 C ILE A 89 -3.488 -7.002 -4.913 1.00 0.00 C ATOM 1280 O ILE A 89 -3.457 -6.073 -5.695 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.712 -7.724 -3.978 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.454 -7.991 -2.662 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.398 -9.049 -4.666 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.477 -8.529 -1.614 1.00 0.00 C ATOM 0 H ILE A 89 -5.436 -5.175 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.872 -7.429 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.342 -7.117 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.917 -7.072 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.257 -8.710 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.326 -9.583 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.878 -8.857 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.765 -9.655 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.010 -8.717 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.035 -9.458 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.690 -7.796 -1.440 1.00 0.00 H new ATOM 1296 N MET A 90 -2.733 -8.043 -5.081 1.00 0.00 N ATOM 1297 CA MET A 90 -1.816 -8.102 -6.249 1.00 0.00 C ATOM 1298 C MET A 90 -2.301 -9.151 -7.249 1.00 0.00 C ATOM 1299 O MET A 90 -2.145 -10.336 -7.045 1.00 0.00 O ATOM 1300 CB MET A 90 -0.462 -8.501 -5.653 1.00 0.00 C ATOM 1301 CG MET A 90 0.635 -7.501 -6.052 1.00 0.00 C ATOM 1302 SD MET A 90 0.053 -5.796 -5.862 1.00 0.00 S ATOM 1303 CE MET A 90 -0.315 -5.485 -7.610 1.00 0.00 C ATOM 0 H MET A 90 -2.709 -8.855 -4.464 1.00 0.00 H new ATOM 0 HA MET A 90 -1.763 -7.158 -6.791 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.539 -8.547 -4.567 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.190 -9.499 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.519 -7.659 -5.434 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.933 -7.675 -7.086 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.947 -4.602 -7.697 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.615 -5.320 -8.154 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.834 -6.346 -8.031 1.00 0.00 H new ATOM 1313 N THR A 91 -2.885 -8.721 -8.332 1.00 0.00 N ATOM 1314 CA THR A 91 -3.367 -9.695 -9.350 1.00 0.00 C ATOM 1315 C THR A 91 -2.263 -9.945 -10.378 1.00 0.00 C ATOM 1316 O THR A 91 -1.314 -9.192 -10.463 1.00 0.00 O ATOM 1317 CB THR A 91 -4.575 -9.024 -10.006 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.391 -7.615 -10.000 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.843 -9.379 -9.228 1.00 0.00 C ATOM 0 H THR A 91 -3.049 -7.740 -8.556 1.00 0.00 H new ATOM 0 HA THR A 91 -3.633 -10.659 -8.917 1.00 0.00 H new ATOM 0 HB THR A 91 -4.673 -9.374 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.810 -7.234 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.703 -8.900 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.982 -10.460 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.749 -9.030 -8.200 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.420 -10.996 -11.131 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.417 -11.341 -12.163 1.00 0.00 C ATOM 1329 C PRO A 92 -1.490 -10.354 -13.334 1.00 0.00 C ATOM 1330 O PRO A 92 -0.730 -10.439 -14.278 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.806 -12.755 -12.586 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.257 -12.883 -12.247 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.535 -11.948 -11.096 1.00 0.00 C ATOM 0 HA PRO A 92 -0.390 -11.289 -11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.636 -12.907 -13.652 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.212 -13.501 -12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.876 -12.628 -13.107 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.498 -13.910 -11.974 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.494 -11.443 -11.215 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.572 -12.484 -10.147 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.387 -9.407 -13.269 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.494 -8.401 -14.364 1.00 0.00 C ATOM 1343 C GLU A 93 -2.016 -7.036 -13.858 1.00 0.00 C ATOM 1344 O GLU A 93 -1.537 -6.214 -14.615 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.981 -8.356 -14.724 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.818 -8.264 -13.446 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.051 -7.398 -13.704 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.070 -6.713 -14.714 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.957 -7.433 -12.887 1.00 0.00 O ATOM 0 H GLU A 93 -3.051 -9.287 -12.504 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.881 -8.657 -15.229 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.184 -7.499 -15.366 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.256 -9.248 -15.287 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.121 -9.261 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.223 -7.837 -12.639 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.137 -6.794 -12.579 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.684 -5.488 -12.010 1.00 0.00 C ATOM 1358 C LEU A 94 -0.326 -5.654 -11.361 1.00 0.00 C ATOM 1359 O LEU A 94 -0.131 -5.357 -10.199 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.729 -5.133 -10.965 1.00 0.00 C ATOM 1361 CG LEU A 94 -4.122 -5.237 -11.582 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -5.110 -4.457 -10.717 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.100 -4.653 -13.002 1.00 0.00 C ATOM 0 H LEU A 94 -2.531 -7.446 -11.901 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.587 -4.713 -12.770 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.647 -5.805 -10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.559 -4.122 -10.594 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.427 -6.282 -11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.107 -4.526 -11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.122 -4.876 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.806 -3.411 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.095 -4.728 -13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.799 -3.606 -12.960 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.390 -5.210 -13.614 1.00 0.00 H new ATOM 1375 N ASP A 95 0.603 -6.157 -12.098 1.00 0.00 N ATOM 1376 CA ASP A 95 1.955 -6.384 -11.524 1.00 0.00 C ATOM 1377 C ASP A 95 2.939 -5.284 -11.926 1.00 0.00 C ATOM 1378 O ASP A 95 2.900 -4.758 -13.021 1.00 0.00 O ATOM 1379 CB ASP A 95 2.365 -7.770 -12.052 1.00 0.00 C ATOM 1380 CG ASP A 95 3.708 -7.716 -12.793 1.00 0.00 C ATOM 1381 OD1 ASP A 95 4.651 -7.182 -12.231 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.770 -8.210 -13.906 1.00 0.00 O ATOM 0 H ASP A 95 0.493 -6.424 -13.076 1.00 0.00 H new ATOM 0 HA ASP A 95 1.955 -6.352 -10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.435 -8.471 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.593 -8.148 -12.723 1.00 0.00 H new ATOM 1387 N GLY A 96 3.818 -4.936 -11.025 1.00 0.00 N ATOM 1388 CA GLY A 96 4.802 -3.860 -11.306 1.00 0.00 C ATOM 1389 C GLY A 96 4.327 -2.616 -10.578 1.00 0.00 C ATOM 1390 O GLY A 96 4.623 -1.501 -10.957 1.00 0.00 O ATOM 0 H GLY A 96 3.894 -5.357 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.796 -4.149 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.874 -3.675 -12.378 1.00 0.00 H new ATOM 1394 N ILE A 97 3.543 -2.809 -9.558 1.00 0.00 N ATOM 1395 CA ILE A 97 2.976 -1.652 -8.830 1.00 0.00 C ATOM 1396 C ILE A 97 3.971 -0.993 -7.885 1.00 0.00 C ATOM 1397 O ILE A 97 4.438 -1.573 -6.926 1.00 0.00 O ATOM 1398 CB ILE A 97 1.775 -2.216 -8.063 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.157 -1.110 -7.183 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.215 -3.407 -7.206 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.808 -1.080 -5.794 1.00 0.00 C ATOM 0 H ILE A 97 3.271 -3.724 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 97 2.696 -0.860 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 97 1.021 -2.562 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.283 -0.142 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.085 -1.278 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.356 -3.802 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.628 -4.185 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.975 -3.083 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.353 -0.291 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.659 -2.041 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.876 -0.887 -5.897 1.00 0.00 H new ATOM 1413 N VAL A 98 4.255 0.248 -8.145 1.00 0.00 N ATOM 1414 CA VAL A 98 5.172 1.013 -7.264 1.00 0.00 C ATOM 1415 C VAL A 98 4.381 1.527 -6.059 1.00 0.00 C ATOM 1416 O VAL A 98 3.358 2.165 -6.211 1.00 0.00 O ATOM 1417 CB VAL A 98 5.642 2.187 -8.122 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.760 2.937 -7.395 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.167 1.663 -9.461 1.00 0.00 C ATOM 0 H VAL A 98 3.887 0.771 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 98 6.007 0.419 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 98 4.806 2.864 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.095 3.774 -8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.387 3.311 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.596 2.261 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.502 2.500 -10.073 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.002 0.985 -9.284 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.371 1.130 -9.980 1.00 0.00 H new ATOM 1429 N VAL A 99 4.833 1.266 -4.865 1.00 0.00 N ATOM 1430 CA VAL A 99 4.079 1.761 -3.676 1.00 0.00 C ATOM 1431 C VAL A 99 4.793 2.944 -3.092 1.00 0.00 C ATOM 1432 O VAL A 99 5.811 3.385 -3.578 1.00 0.00 O ATOM 1433 CB VAL A 99 4.116 0.663 -2.609 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.904 0.773 -1.687 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.130 -0.699 -3.239 1.00 0.00 C ATOM 0 H VAL A 99 5.681 0.738 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 99 3.062 2.024 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 99 5.030 0.797 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.946 -0.015 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.909 1.745 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.991 0.667 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.156 -1.460 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.232 -0.830 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.012 -0.798 -3.872 1.00 0.00 H new ATOM 1445 N ASP A 100 4.293 3.413 -2.009 1.00 0.00 N ATOM 1446 CA ASP A 100 4.963 4.523 -1.322 1.00 0.00 C ATOM 1447 C ASP A 100 4.481 4.595 0.115 1.00 0.00 C ATOM 1448 O ASP A 100 3.302 4.493 0.393 1.00 0.00 O ATOM 1449 CB ASP A 100 4.597 5.804 -2.063 1.00 0.00 C ATOM 1450 CG ASP A 100 5.357 5.880 -3.388 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.486 6.343 -3.376 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.798 5.472 -4.394 1.00 0.00 O ATOM 0 H ASP A 100 3.441 3.074 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 100 6.044 4.383 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.523 5.832 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.837 6.671 -1.447 1.00 0.00 H new ATOM 1457 N VAL A 101 5.372 4.793 1.025 1.00 0.00 N ATOM 1458 CA VAL A 101 4.938 4.895 2.449 1.00 0.00 C ATOM 1459 C VAL A 101 4.651 6.361 2.778 1.00 0.00 C ATOM 1460 O VAL A 101 5.363 7.247 2.352 1.00 0.00 O ATOM 1461 CB VAL A 101 6.088 4.346 3.290 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.799 4.594 4.772 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.218 2.837 3.049 1.00 0.00 C ATOM 0 H VAL A 101 6.374 4.889 0.859 1.00 0.00 H new ATOM 0 HA VAL A 101 4.027 4.331 2.649 1.00 0.00 H new ATOM 0 HB VAL A 101 7.015 4.846 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.620 4.202 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.698 5.665 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.873 4.092 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.038 2.442 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.290 2.342 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.418 2.653 1.993 1.00 0.00 H new ATOM 1473 N PRO A 102 3.583 6.562 3.493 1.00 0.00 N ATOM 1474 CA PRO A 102 3.142 7.928 3.851 1.00 0.00 C ATOM 1475 C PRO A 102 3.903 8.475 5.068 1.00 0.00 C ATOM 1476 O PRO A 102 3.698 8.026 6.179 1.00 0.00 O ATOM 1477 CB PRO A 102 1.685 7.738 4.224 1.00 0.00 C ATOM 1478 CG PRO A 102 1.577 6.316 4.672 1.00 0.00 C ATOM 1479 CD PRO A 102 2.692 5.541 4.029 1.00 0.00 C ATOM 0 HA PRO A 102 3.313 8.634 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.389 8.424 5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.032 7.933 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.645 6.252 5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.610 5.899 4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.204 4.907 4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.318 4.887 3.241 1.00 0.00 H new