USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 49 GLN : amide:sc= -0.0953 K(o=-2.5,f=-5.2) USER MOD Set 1.2: A 58 MET CE :methyl 167:sc= -2.43! (180deg=-3.01!) USER MOD Set 1.3: A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.094) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= -0.46 (180deg=-1.94!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.95 USER MOD Single : A 29 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.3!) USER MOD Single : A 30 MET CE :methyl -116:sc= -3.33 (180deg=-5.65!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= 0.234 (180deg=-0.0214) USER MOD Single : A 35 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -0.48 (180deg=-1.87!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0258 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-6.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -162:sc= -0.613! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 62 MET CE :methyl 165:sc= -0.348 (180deg=-0.833) USER MOD Single : A 63 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.189 K(o=-0.19,f=-3.9!) USER MOD Single : A 80 THR OG1 : rot 69:sc= 0.613 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 25:sc= 0.049 USER MOD Single : A 87 GLN : amide:sc= -2.88! C(o=-2.9!,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.809 32.584 5.030 1.00 0.00 N ATOM 2 CA GLY A 1 9.937 31.709 5.792 1.00 0.00 C ATOM 3 C GLY A 1 9.282 30.649 4.929 1.00 0.00 C ATOM 4 O GLY A 1 8.058 30.517 4.919 1.00 0.00 O ATOM 0 H1 GLY A 1 11.232 33.291 5.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.563 32.022 4.586 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.257 33.067 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.512 31.226 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.165 32.305 6.279 1.00 0.00 H new ATOM 8 N SER A 2 10.098 29.893 4.202 1.00 0.00 N ATOM 9 CA SER A 2 9.589 28.842 3.327 1.00 0.00 C ATOM 10 C SER A 2 8.873 27.763 4.133 1.00 0.00 C ATOM 11 O SER A 2 9.080 27.634 5.340 1.00 0.00 O ATOM 12 CB SER A 2 10.733 28.220 2.524 1.00 0.00 C ATOM 13 OG SER A 2 10.248 27.581 1.356 1.00 0.00 O ATOM 0 H SER A 2 11.114 29.988 4.201 1.00 0.00 H new ATOM 0 HA SER A 2 8.873 29.291 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.450 28.993 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.265 27.498 3.143 1.00 0.00 H new ATOM 0 HG SER A 2 10.999 27.193 0.860 1.00 0.00 H new ATOM 19 N SER A 3 8.029 26.990 3.457 1.00 0.00 N ATOM 20 CA SER A 3 7.279 25.924 4.110 1.00 0.00 C ATOM 21 C SER A 3 7.022 24.771 3.145 1.00 0.00 C ATOM 22 O SER A 3 6.968 24.963 1.931 1.00 0.00 O ATOM 23 CB SER A 3 5.950 26.461 4.645 1.00 0.00 C ATOM 24 OG SER A 3 5.393 25.580 5.605 1.00 0.00 O ATOM 0 H SER A 3 7.848 27.082 2.457 1.00 0.00 H new ATOM 0 HA SER A 3 7.875 25.552 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.105 27.442 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.250 26.595 3.820 1.00 0.00 H new ATOM 0 HG SER A 3 4.545 25.947 5.933 1.00 0.00 H new ATOM 30 N GLY A 4 6.865 23.570 3.695 1.00 0.00 N ATOM 31 CA GLY A 4 6.616 22.403 2.870 1.00 0.00 C ATOM 32 C GLY A 4 5.395 21.625 3.318 1.00 0.00 C ATOM 33 O GLY A 4 4.262 22.048 3.086 1.00 0.00 O ATOM 0 H GLY A 4 6.906 23.385 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.484 22.716 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.489 21.750 2.897 1.00 0.00 H new ATOM 37 N SER A 5 5.624 20.485 3.961 1.00 0.00 N ATOM 38 CA SER A 5 4.533 19.644 4.438 1.00 0.00 C ATOM 39 C SER A 5 3.682 19.146 3.274 1.00 0.00 C ATOM 40 O SER A 5 2.494 18.865 3.435 1.00 0.00 O ATOM 41 CB SER A 5 3.660 20.417 5.429 1.00 0.00 C ATOM 42 OG SER A 5 4.132 20.259 6.756 1.00 0.00 O ATOM 0 H SER A 5 6.556 20.122 4.164 1.00 0.00 H new ATOM 0 HA SER A 5 4.967 18.781 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.654 21.475 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.630 20.066 5.362 1.00 0.00 H new ATOM 0 HG SER A 5 3.558 20.764 7.370 1.00 0.00 H new ATOM 48 N SER A 6 4.299 19.039 2.102 1.00 0.00 N ATOM 49 CA SER A 6 3.598 18.579 0.908 1.00 0.00 C ATOM 50 C SER A 6 3.038 17.175 1.115 1.00 0.00 C ATOM 51 O SER A 6 3.608 16.368 1.849 1.00 0.00 O ATOM 52 CB SER A 6 4.539 18.592 -0.298 1.00 0.00 C ATOM 53 OG SER A 6 4.961 19.911 -0.601 1.00 0.00 O ATOM 0 H SER A 6 5.283 19.264 1.953 1.00 0.00 H new ATOM 0 HA SER A 6 2.767 19.259 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.408 17.967 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.034 18.161 -1.162 1.00 0.00 H new ATOM 0 HG SER A 6 5.563 19.892 -1.374 1.00 0.00 H new ATOM 59 N GLY A 7 1.915 16.890 0.462 1.00 0.00 N ATOM 60 CA GLY A 7 1.295 15.584 0.586 1.00 0.00 C ATOM 61 C GLY A 7 1.429 14.756 -0.677 1.00 0.00 C ATOM 62 O GLY A 7 1.661 13.549 -0.613 1.00 0.00 O ATOM 0 H GLY A 7 1.424 17.541 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.750 15.047 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.239 15.708 0.825 1.00 0.00 H new ATOM 66 N MET A 8 1.280 15.405 -1.826 1.00 0.00 N ATOM 67 CA MET A 8 1.385 14.720 -3.110 1.00 0.00 C ATOM 68 C MET A 8 2.846 14.524 -3.503 1.00 0.00 C ATOM 69 O MET A 8 3.516 15.466 -3.924 1.00 0.00 O ATOM 70 CB MET A 8 0.654 15.511 -4.196 1.00 0.00 C ATOM 71 CG MET A 8 0.638 14.816 -5.548 1.00 0.00 C ATOM 72 SD MET A 8 -0.004 15.869 -6.863 1.00 0.00 S ATOM 73 CE MET A 8 0.900 15.237 -8.274 1.00 0.00 C ATOM 0 H MET A 8 1.086 16.404 -1.895 1.00 0.00 H new ATOM 0 HA MET A 8 0.919 13.740 -3.010 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.373 15.688 -3.876 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.127 16.487 -4.304 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.650 14.501 -5.802 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.030 13.914 -5.481 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.611 15.789 -9.168 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.970 15.356 -8.104 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.670 14.180 -8.410 1.00 0.00 H new ATOM 83 N ALA A 9 3.332 13.295 -3.363 1.00 0.00 N ATOM 84 CA ALA A 9 4.712 12.976 -3.705 1.00 0.00 C ATOM 85 C ALA A 9 4.779 12.075 -4.933 1.00 0.00 C ATOM 86 O ALA A 9 3.791 11.438 -5.304 1.00 0.00 O ATOM 87 CB ALA A 9 5.409 12.316 -2.525 1.00 0.00 C ATOM 0 H ALA A 9 2.790 12.504 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 9 5.226 13.907 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.439 12.083 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.402 12.995 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.886 11.397 -2.261 1.00 0.00 H new ATOM 93 N LEU A 10 5.948 12.025 -5.562 1.00 0.00 N ATOM 94 CA LEU A 10 6.143 11.201 -6.750 1.00 0.00 C ATOM 95 C LEU A 10 6.399 9.746 -6.368 1.00 0.00 C ATOM 96 O LEU A 10 5.708 8.842 -6.836 1.00 0.00 O ATOM 97 CB LEU A 10 7.313 11.735 -7.579 1.00 0.00 C ATOM 98 CG LEU A 10 7.460 11.154 -8.985 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.502 11.837 -9.948 1.00 0.00 C ATOM 100 CD2 LEU A 10 8.895 11.290 -9.471 1.00 0.00 C ATOM 0 H LEU A 10 6.775 12.545 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 10 5.232 11.246 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.208 12.817 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.236 11.546 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 10 7.210 10.094 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.621 11.410 -10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.477 11.687 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.720 12.904 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.981 10.871 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.173 12.344 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.560 10.753 -8.795 1.00 0.00 H new ATOM 112 N GLU A 11 7.394 9.530 -5.513 1.00 0.00 N ATOM 113 CA GLU A 11 7.739 8.185 -5.068 1.00 0.00 C ATOM 114 C GLU A 11 6.584 7.555 -4.295 1.00 0.00 C ATOM 115 O GLU A 11 6.027 6.539 -4.710 1.00 0.00 O ATOM 116 CB GLU A 11 8.993 8.220 -4.193 1.00 0.00 C ATOM 117 CG GLU A 11 10.287 8.293 -4.987 1.00 0.00 C ATOM 118 CD GLU A 11 10.348 7.264 -6.099 1.00 0.00 C ATOM 119 OE1 GLU A 11 9.766 7.516 -7.175 1.00 0.00 O ATOM 120 OE2 GLU A 11 10.978 6.205 -5.894 1.00 0.00 O ATOM 0 H GLU A 11 7.975 10.268 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 11 7.937 7.577 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.937 9.080 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.012 7.330 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.391 9.290 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.131 8.145 -4.313 1.00 0.00 H new ATOM 127 N GLN A 12 6.230 8.166 -3.169 1.00 0.00 N ATOM 128 CA GLN A 12 5.142 7.665 -2.337 1.00 0.00 C ATOM 129 C GLN A 12 5.355 6.194 -1.992 1.00 0.00 C ATOM 130 O GLN A 12 4.469 5.363 -2.196 1.00 0.00 O ATOM 131 CB GLN A 12 3.801 7.845 -3.051 1.00 0.00 C ATOM 132 CG GLN A 12 3.146 9.190 -2.784 1.00 0.00 C ATOM 133 CD GLN A 12 2.610 9.308 -1.371 1.00 0.00 C ATOM 134 OE1 GLN A 12 1.475 8.922 -1.091 1.00 0.00 O ATOM 135 NE2 GLN A 12 3.426 9.844 -0.470 1.00 0.00 N ATOM 0 H GLN A 12 6.681 9.009 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 12 5.132 8.239 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.952 7.730 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.123 7.051 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.871 9.984 -2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.330 9.339 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.359 10.151 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.120 9.949 0.497 1.00 0.00 H new ATOM 144 N THR A 13 6.535 5.879 -1.469 1.00 0.00 N ATOM 145 CA THR A 13 6.865 4.509 -1.097 1.00 0.00 C ATOM 146 C THR A 13 7.486 4.451 0.294 1.00 0.00 C ATOM 147 O THR A 13 7.062 3.666 1.143 1.00 0.00 O ATOM 148 CB THR A 13 7.836 3.870 -2.108 1.00 0.00 C ATOM 149 OG1 THR A 13 8.891 4.786 -2.419 1.00 0.00 O ATOM 150 CG2 THR A 13 7.107 3.476 -3.383 1.00 0.00 C ATOM 0 H THR A 13 7.279 6.554 -1.293 1.00 0.00 H new ATOM 0 HA THR A 13 5.931 3.948 -1.098 1.00 0.00 H new ATOM 0 HB THR A 13 8.257 2.971 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.505 4.372 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.813 3.027 -4.082 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.323 2.756 -3.146 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.662 4.362 -3.836 1.00 0.00 H new ATOM 158 N LEU A 14 8.493 5.286 0.522 1.00 0.00 N ATOM 159 CA LEU A 14 9.174 5.331 1.811 1.00 0.00 C ATOM 160 C LEU A 14 8.278 5.952 2.879 1.00 0.00 C ATOM 161 O LEU A 14 8.043 5.356 3.931 1.00 0.00 O ATOM 162 CB LEU A 14 10.475 6.126 1.696 1.00 0.00 C ATOM 163 CG LEU A 14 11.488 5.613 0.672 1.00 0.00 C ATOM 164 CD1 LEU A 14 12.597 6.631 0.461 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.065 4.277 1.116 1.00 0.00 C ATOM 0 H LEU A 14 8.856 5.942 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 14 9.406 4.308 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.226 7.157 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.955 6.143 2.675 1.00 0.00 H new ATOM 0 HG LEU A 14 10.973 5.466 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.308 6.248 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.169 7.565 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.110 6.811 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.784 3.927 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.564 4.398 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.261 3.548 1.214 1.00 0.00 H new ATOM 177 N LYS A 15 7.778 7.151 2.600 1.00 0.00 N ATOM 178 CA LYS A 15 6.905 7.852 3.534 1.00 0.00 C ATOM 179 C LYS A 15 5.961 6.878 4.232 1.00 0.00 C ATOM 180 O LYS A 15 5.563 7.096 5.376 1.00 0.00 O ATOM 181 CB LYS A 15 6.097 8.925 2.800 1.00 0.00 C ATOM 182 CG LYS A 15 5.026 9.574 3.660 1.00 0.00 C ATOM 183 CD LYS A 15 5.619 10.607 4.604 1.00 0.00 C ATOM 184 CE LYS A 15 6.029 11.869 3.861 1.00 0.00 C ATOM 185 NZ LYS A 15 7.172 12.556 4.524 1.00 0.00 N ATOM 0 H LYS A 15 7.963 7.658 1.734 1.00 0.00 H new ATOM 0 HA LYS A 15 7.530 8.329 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.777 9.696 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.627 8.478 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.283 10.049 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.507 8.808 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.891 10.858 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.486 10.183 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.302 11.615 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.179 12.550 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.421 13.411 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.903 12.821 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.991 11.916 4.555 1.00 0.00 H new ATOM 199 N LYS A 16 5.607 5.803 3.536 1.00 0.00 N ATOM 200 CA LYS A 16 4.712 4.793 4.089 1.00 0.00 C ATOM 201 C LYS A 16 5.482 3.797 4.950 1.00 0.00 C ATOM 202 O LYS A 16 6.589 3.386 4.601 1.00 0.00 O ATOM 203 CB LYS A 16 3.984 4.055 2.963 1.00 0.00 C ATOM 204 CG LYS A 16 2.849 3.171 3.450 1.00 0.00 C ATOM 205 CD LYS A 16 1.925 2.773 2.312 1.00 0.00 C ATOM 206 CE LYS A 16 0.902 3.860 2.019 1.00 0.00 C ATOM 207 NZ LYS A 16 1.413 4.851 1.031 1.00 0.00 N ATOM 0 H LYS A 16 5.926 5.609 2.587 1.00 0.00 H new ATOM 0 HA LYS A 16 3.978 5.298 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.588 4.786 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.702 3.443 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.259 2.276 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.279 3.698 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.514 2.575 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.410 1.847 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.012 3.405 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.641 4.372 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.650 5.112 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.745 5.700 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.201 4.434 0.497 1.00 0.00 H new ATOM 221 N ASP A 17 4.889 3.411 6.074 1.00 0.00 N ATOM 222 CA ASP A 17 5.518 2.460 6.984 1.00 0.00 C ATOM 223 C ASP A 17 5.156 1.027 6.607 1.00 0.00 C ATOM 224 O ASP A 17 3.980 0.688 6.474 1.00 0.00 O ATOM 225 CB ASP A 17 5.095 2.745 8.426 1.00 0.00 C ATOM 226 CG ASP A 17 5.793 3.959 9.005 1.00 0.00 C ATOM 227 OD1 ASP A 17 6.945 4.228 8.605 1.00 0.00 O ATOM 228 OD2 ASP A 17 5.187 4.641 9.859 1.00 0.00 O ATOM 0 H ASP A 17 3.973 3.742 6.377 1.00 0.00 H new ATOM 0 HA ASP A 17 6.599 2.576 6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.016 2.898 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.314 1.874 9.044 1.00 0.00 H new ATOM 233 N TRP A 18 6.173 0.190 6.437 1.00 0.00 N ATOM 234 CA TRP A 18 5.961 -1.206 6.075 1.00 0.00 C ATOM 235 C TRP A 18 6.015 -2.103 7.307 1.00 0.00 C ATOM 236 O TRP A 18 5.181 -2.992 7.477 1.00 0.00 O ATOM 237 CB TRP A 18 7.010 -1.655 5.056 1.00 0.00 C ATOM 238 CG TRP A 18 7.040 -0.806 3.821 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.110 -0.118 3.326 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.950 -0.555 2.927 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.751 0.547 2.178 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.431 0.294 1.911 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.615 -0.966 2.885 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.623 0.738 0.868 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.814 -0.524 1.849 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.321 0.320 0.852 1.00 0.00 C ATOM 0 H TRP A 18 7.152 0.454 6.544 1.00 0.00 H new ATOM 0 HA TRP A 18 4.970 -1.293 5.629 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.994 -1.636 5.525 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.812 -2.689 4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.094 -0.099 3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.367 1.134 1.616 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.216 -1.617 3.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.011 1.389 0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.780 -0.834 1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.670 0.647 0.055 1.00 0.00 H new ATOM 257 N TYR A 19 7.002 -1.863 8.164 1.00 0.00 N ATOM 258 CA TYR A 19 7.165 -2.651 9.380 1.00 0.00 C ATOM 259 C TYR A 19 5.898 -2.614 10.228 1.00 0.00 C ATOM 260 O TYR A 19 5.739 -3.399 11.163 1.00 0.00 O ATOM 261 CB TYR A 19 8.352 -2.132 10.193 1.00 0.00 C ATOM 262 CG TYR A 19 9.696 -2.507 9.611 1.00 0.00 C ATOM 263 CD1 TYR A 19 9.981 -3.821 9.259 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.681 -1.547 9.411 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.208 -4.168 8.728 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.910 -1.885 8.878 1.00 0.00 C ATOM 267 CZ TYR A 19 12.169 -3.197 8.539 1.00 0.00 C ATOM 268 OH TYR A 19 13.391 -3.538 8.008 1.00 0.00 O ATOM 0 H TYR A 19 7.700 -1.130 8.039 1.00 0.00 H new ATOM 0 HA TYR A 19 7.355 -3.684 9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.286 -1.046 10.263 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.284 -2.522 11.209 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.230 -4.584 9.403 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.482 -0.519 9.677 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.414 -5.194 8.462 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.664 -1.126 8.728 1.00 0.00 H new ATOM 0 HH TYR A 19 13.953 -2.738 7.939 1.00 0.00 H new ATOM 278 N SER A 20 4.997 -1.695 9.894 1.00 0.00 N ATOM 279 CA SER A 20 3.744 -1.551 10.626 1.00 0.00 C ATOM 280 C SER A 20 2.611 -2.281 9.912 1.00 0.00 C ATOM 281 O SER A 20 1.756 -2.897 10.549 1.00 0.00 O ATOM 282 CB SER A 20 3.391 -0.071 10.788 1.00 0.00 C ATOM 283 OG SER A 20 2.598 0.140 11.944 1.00 0.00 O ATOM 0 H SER A 20 5.112 -1.039 9.121 1.00 0.00 H new ATOM 0 HA SER A 20 3.874 -1.996 11.612 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.305 0.519 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.853 0.277 9.906 1.00 0.00 H new ATOM 0 HG SER A 20 2.387 1.093 12.026 1.00 0.00 H new ATOM 289 N ILE A 21 2.613 -2.208 8.585 1.00 0.00 N ATOM 290 CA ILE A 21 1.586 -2.863 7.784 1.00 0.00 C ATOM 291 C ILE A 21 1.689 -4.380 7.891 1.00 0.00 C ATOM 292 O ILE A 21 0.680 -5.086 7.859 1.00 0.00 O ATOM 293 CB ILE A 21 1.685 -2.456 6.301 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.436 -0.955 6.144 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.695 -3.254 5.466 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.657 -0.451 4.735 1.00 0.00 C ATOM 0 H ILE A 21 3.313 -1.703 8.042 1.00 0.00 H new ATOM 0 HA ILE A 21 0.623 -2.538 8.179 1.00 0.00 H new ATOM 0 HB ILE A 21 2.691 -2.677 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.413 -0.731 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.094 -0.413 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.777 -2.955 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.916 -4.317 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.318 -3.062 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.462 0.621 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.688 -0.643 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.980 -0.967 4.054 1.00 0.00 H new ATOM 308 N LEU A 22 2.914 -4.877 8.020 1.00 0.00 N ATOM 309 CA LEU A 22 3.150 -6.312 8.135 1.00 0.00 C ATOM 310 C LEU A 22 3.234 -6.735 9.598 1.00 0.00 C ATOM 311 O LEU A 22 3.664 -7.844 9.911 1.00 0.00 O ATOM 312 CB LEU A 22 4.440 -6.696 7.407 1.00 0.00 C ATOM 313 CG LEU A 22 4.489 -6.372 5.913 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.918 -6.451 5.397 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.586 -7.315 5.133 1.00 0.00 C ATOM 0 H LEU A 22 3.760 -4.307 8.048 1.00 0.00 H new ATOM 0 HA LEU A 22 2.310 -6.831 7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.273 -6.191 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.599 -7.767 7.532 1.00 0.00 H new ATOM 0 HG LEU A 22 4.128 -5.354 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.934 -6.218 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.539 -5.735 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.306 -7.457 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.633 -7.070 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.917 -8.343 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.560 -7.209 5.484 1.00 0.00 H new ATOM 327 N GLY A 23 2.817 -5.843 10.492 1.00 0.00 N ATOM 328 CA GLY A 23 2.851 -6.143 11.911 1.00 0.00 C ATOM 329 C GLY A 23 4.167 -6.760 12.342 1.00 0.00 C ATOM 330 O GLY A 23 4.186 -7.742 13.083 1.00 0.00 O ATOM 0 H GLY A 23 2.456 -4.918 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.680 -5.227 12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.036 -6.825 12.155 1.00 0.00 H new ATOM 334 N ALA A 24 5.270 -6.184 11.876 1.00 0.00 N ATOM 335 CA ALA A 24 6.596 -6.684 12.218 1.00 0.00 C ATOM 336 C ALA A 24 7.473 -5.571 12.781 1.00 0.00 C ATOM 337 O ALA A 24 7.038 -4.426 12.902 1.00 0.00 O ATOM 338 CB ALA A 24 7.254 -7.311 10.998 1.00 0.00 C ATOM 0 H ALA A 24 5.272 -5.371 11.261 1.00 0.00 H new ATOM 0 HA ALA A 24 6.483 -7.447 12.988 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.243 -7.680 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.643 -8.140 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.348 -6.563 10.211 1.00 0.00 H new ATOM 344 N ASP A 25 8.709 -5.916 13.126 1.00 0.00 N ATOM 345 CA ASP A 25 9.647 -4.946 13.677 1.00 0.00 C ATOM 346 C ASP A 25 10.776 -4.660 12.691 1.00 0.00 C ATOM 347 O ASP A 25 11.068 -5.455 11.797 1.00 0.00 O ATOM 348 CB ASP A 25 10.225 -5.457 14.998 1.00 0.00 C ATOM 349 CG ASP A 25 10.319 -6.969 15.042 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.259 -7.629 15.066 1.00 0.00 O ATOM 351 OD2 ASP A 25 11.452 -7.493 15.053 1.00 0.00 O ATOM 0 H ASP A 25 9.084 -6.860 13.034 1.00 0.00 H new ATOM 0 HA ASP A 25 9.105 -4.018 13.861 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.217 -5.030 15.147 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.602 -5.110 15.822 1.00 0.00 H new ATOM 356 N PRO A 26 11.425 -3.498 12.854 1.00 0.00 N ATOM 357 CA PRO A 26 12.531 -3.081 11.987 1.00 0.00 C ATOM 358 C PRO A 26 13.784 -3.924 12.199 1.00 0.00 C ATOM 359 O PRO A 26 14.703 -3.904 11.381 1.00 0.00 O ATOM 360 CB PRO A 26 12.784 -1.631 12.409 1.00 0.00 C ATOM 361 CG PRO A 26 12.294 -1.554 13.813 1.00 0.00 C ATOM 362 CD PRO A 26 11.131 -2.503 13.899 1.00 0.00 C ATOM 0 HA PRO A 26 12.287 -3.196 10.931 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.843 -1.379 12.345 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.250 -0.932 11.765 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.079 -1.834 14.516 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.988 -0.538 14.064 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.060 -2.964 14.884 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.184 -1.996 13.716 1.00 0.00 H new ATOM 370 N SER A 27 13.814 -4.664 13.303 1.00 0.00 N ATOM 371 CA SER A 27 14.956 -5.511 13.624 1.00 0.00 C ATOM 372 C SER A 27 14.805 -6.890 12.989 1.00 0.00 C ATOM 373 O SER A 27 15.759 -7.665 12.927 1.00 0.00 O ATOM 374 CB SER A 27 15.106 -5.649 15.141 1.00 0.00 C ATOM 375 OG SER A 27 15.390 -4.397 15.741 1.00 0.00 O ATOM 0 H SER A 27 13.060 -4.694 13.990 1.00 0.00 H new ATOM 0 HA SER A 27 15.852 -5.040 13.219 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.189 -6.059 15.564 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.905 -6.354 15.368 1.00 0.00 H new ATOM 0 HG SER A 27 15.480 -4.511 16.710 1.00 0.00 H new ATOM 381 N ALA A 28 13.598 -7.189 12.520 1.00 0.00 N ATOM 382 CA ALA A 28 13.321 -8.473 11.888 1.00 0.00 C ATOM 383 C ALA A 28 14.132 -8.641 10.607 1.00 0.00 C ATOM 384 O ALA A 28 14.818 -7.718 10.170 1.00 0.00 O ATOM 385 CB ALA A 28 11.834 -8.607 11.594 1.00 0.00 C ATOM 0 H ALA A 28 12.797 -6.560 12.566 1.00 0.00 H new ATOM 0 HA ALA A 28 13.616 -9.261 12.580 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.642 -9.571 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.272 -8.540 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.522 -7.806 10.924 1.00 0.00 H new ATOM 391 N ASN A 29 14.049 -9.826 10.011 1.00 0.00 N ATOM 392 CA ASN A 29 14.777 -10.116 8.781 1.00 0.00 C ATOM 393 C ASN A 29 13.850 -10.721 7.731 1.00 0.00 C ATOM 394 O ASN A 29 12.642 -10.824 7.939 1.00 0.00 O ATOM 395 CB ASN A 29 15.938 -11.070 9.064 1.00 0.00 C ATOM 396 CG ASN A 29 17.207 -10.337 9.454 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.298 -9.117 9.319 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.195 -11.080 9.939 1.00 0.00 N ATOM 0 H ASN A 29 13.485 -10.601 10.360 1.00 0.00 H new ATOM 0 HA ASN A 29 15.174 -9.178 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.656 -11.754 9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.130 -11.677 8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 29 19.073 -10.642 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.076 -12.089 10.034 1.00 0.00 H new ATOM 405 N MET A 30 14.427 -11.121 6.601 1.00 0.00 N ATOM 406 CA MET A 30 13.653 -11.718 5.519 1.00 0.00 C ATOM 407 C MET A 30 12.752 -12.831 6.045 1.00 0.00 C ATOM 408 O MET A 30 11.536 -12.800 5.852 1.00 0.00 O ATOM 409 CB MET A 30 14.587 -12.269 4.440 1.00 0.00 C ATOM 410 CG MET A 30 14.934 -11.256 3.361 1.00 0.00 C ATOM 411 SD MET A 30 15.448 -9.667 4.040 1.00 0.00 S ATOM 412 CE MET A 30 13.985 -8.679 3.735 1.00 0.00 C ATOM 0 H MET A 30 15.426 -11.042 6.412 1.00 0.00 H new ATOM 0 HA MET A 30 13.024 -10.941 5.084 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.507 -12.616 4.910 1.00 0.00 H new ATOM 0 HB3 MET A 30 14.119 -13.137 3.975 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.733 -11.655 2.737 1.00 0.00 H new ATOM 0 HG3 MET A 30 14.068 -11.108 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.226 -7.878 3.036 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.203 -9.308 3.310 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.635 -8.248 4.673 1.00 0.00 H new ATOM 422 N SER A 31 13.355 -13.812 6.708 1.00 0.00 N ATOM 423 CA SER A 31 12.607 -14.936 7.258 1.00 0.00 C ATOM 424 C SER A 31 11.432 -14.447 8.099 1.00 0.00 C ATOM 425 O SER A 31 10.273 -14.606 7.717 1.00 0.00 O ATOM 426 CB SER A 31 13.524 -15.820 8.106 1.00 0.00 C ATOM 427 OG SER A 31 14.632 -16.278 7.351 1.00 0.00 O ATOM 0 H SER A 31 14.360 -13.851 6.877 1.00 0.00 H new ATOM 0 HA SER A 31 12.216 -15.523 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.877 -15.259 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.962 -16.673 8.487 1.00 0.00 H new ATOM 0 HG SER A 31 15.203 -16.839 7.916 1.00 0.00 H new ATOM 433 N ASP A 32 11.741 -13.853 9.246 1.00 0.00 N ATOM 434 CA ASP A 32 10.712 -13.340 10.143 1.00 0.00 C ATOM 435 C ASP A 32 9.686 -12.511 9.375 1.00 0.00 C ATOM 436 O ASP A 32 8.498 -12.835 9.358 1.00 0.00 O ATOM 437 CB ASP A 32 11.344 -12.494 11.249 1.00 0.00 C ATOM 438 CG ASP A 32 11.937 -13.340 12.358 1.00 0.00 C ATOM 439 OD1 ASP A 32 11.451 -14.472 12.565 1.00 0.00 O ATOM 440 OD2 ASP A 32 12.887 -12.872 13.020 1.00 0.00 O ATOM 0 H ASP A 32 12.696 -13.715 9.577 1.00 0.00 H new ATOM 0 HA ASP A 32 10.202 -14.191 10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.123 -11.864 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.590 -11.827 11.668 1.00 0.00 H new ATOM 445 N LEU A 33 10.153 -11.440 8.743 1.00 0.00 N ATOM 446 CA LEU A 33 9.277 -10.564 7.973 1.00 0.00 C ATOM 447 C LEU A 33 8.357 -11.374 7.065 1.00 0.00 C ATOM 448 O LEU A 33 7.161 -11.099 6.970 1.00 0.00 O ATOM 449 CB LEU A 33 10.106 -9.586 7.138 1.00 0.00 C ATOM 450 CG LEU A 33 10.880 -8.524 7.920 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.034 -7.986 7.089 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.954 -7.395 8.346 1.00 0.00 C ATOM 0 H LEU A 33 11.133 -11.157 8.749 1.00 0.00 H new ATOM 0 HA LEU A 33 8.661 -10.001 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.816 -10.159 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.439 -9.080 6.439 1.00 0.00 H new ATOM 0 HG LEU A 33 11.291 -8.987 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.574 -7.231 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.711 -8.802 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.646 -7.539 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.522 -6.649 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.514 -6.933 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.162 -7.794 8.980 1.00 0.00 H new ATOM 464 N LYS A 34 8.923 -12.375 6.400 1.00 0.00 N ATOM 465 CA LYS A 34 8.155 -13.228 5.501 1.00 0.00 C ATOM 466 C LYS A 34 7.008 -13.907 6.244 1.00 0.00 C ATOM 467 O LYS A 34 5.874 -13.925 5.767 1.00 0.00 O ATOM 468 CB LYS A 34 9.063 -14.285 4.869 1.00 0.00 C ATOM 469 CG LYS A 34 8.454 -14.961 3.652 1.00 0.00 C ATOM 470 CD LYS A 34 9.524 -15.423 2.677 1.00 0.00 C ATOM 471 CE LYS A 34 8.919 -16.180 1.504 1.00 0.00 C ATOM 472 NZ LYS A 34 8.126 -15.287 0.616 1.00 0.00 N ATOM 0 H LYS A 34 9.912 -12.616 6.467 1.00 0.00 H new ATOM 0 HA LYS A 34 7.735 -12.601 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.005 -13.818 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.298 -15.043 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.857 -15.816 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.778 -14.269 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.078 -14.560 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.238 -16.063 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.715 -16.652 0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.280 -16.980 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.256 -15.577 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.119 -15.354 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.448 -14.305 0.734 1.00 0.00 H new ATOM 486 N GLN A 35 7.312 -14.462 7.412 1.00 0.00 N ATOM 487 CA GLN A 35 6.305 -15.140 8.220 1.00 0.00 C ATOM 488 C GLN A 35 5.094 -14.241 8.449 1.00 0.00 C ATOM 489 O GLN A 35 3.950 -14.680 8.331 1.00 0.00 O ATOM 490 CB GLN A 35 6.900 -15.566 9.563 1.00 0.00 C ATOM 491 CG GLN A 35 8.058 -16.542 9.433 1.00 0.00 C ATOM 492 CD GLN A 35 8.753 -16.802 10.755 1.00 0.00 C ATOM 493 OE1 GLN A 35 8.870 -15.909 11.595 1.00 0.00 O ATOM 494 NE2 GLN A 35 9.219 -18.031 10.948 1.00 0.00 N ATOM 0 H GLN A 35 8.247 -14.456 7.820 1.00 0.00 H new ATOM 0 HA GLN A 35 5.978 -16.027 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.241 -14.679 10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.117 -16.022 10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.690 -17.485 9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.781 -16.149 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.100 -18.741 10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.695 -18.265 11.819 1.00 0.00 H new ATOM 503 N LYS A 36 5.354 -12.980 8.777 1.00 0.00 N ATOM 504 CA LYS A 36 4.287 -12.017 9.023 1.00 0.00 C ATOM 505 C LYS A 36 3.544 -11.688 7.731 1.00 0.00 C ATOM 506 O LYS A 36 2.314 -11.669 7.699 1.00 0.00 O ATOM 507 CB LYS A 36 4.857 -10.737 9.636 1.00 0.00 C ATOM 508 CG LYS A 36 4.974 -10.788 11.150 1.00 0.00 C ATOM 509 CD LYS A 36 6.325 -11.329 11.587 1.00 0.00 C ATOM 510 CE LYS A 36 7.345 -10.213 11.753 1.00 0.00 C ATOM 511 NZ LYS A 36 8.543 -10.665 12.514 1.00 0.00 N ATOM 0 H LYS A 36 6.295 -12.601 8.879 1.00 0.00 H new ATOM 0 HA LYS A 36 3.582 -12.464 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.842 -10.547 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.222 -9.896 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.831 -9.788 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.181 -11.416 11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.216 -11.866 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.686 -12.047 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.653 -9.853 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.882 -9.372 12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.388 -10.179 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.420 -10.439 13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.659 -11.692 12.401 1.00 0.00 H new ATOM 525 N TYR A 37 4.300 -11.430 6.670 1.00 0.00 N ATOM 526 CA TYR A 37 3.713 -11.100 5.376 1.00 0.00 C ATOM 527 C TYR A 37 2.777 -12.208 4.904 1.00 0.00 C ATOM 528 O TYR A 37 1.621 -11.956 4.567 1.00 0.00 O ATOM 529 CB TYR A 37 4.812 -10.869 4.338 1.00 0.00 C ATOM 530 CG TYR A 37 4.316 -10.914 2.910 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.668 -9.822 2.345 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.494 -12.047 2.127 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.212 -9.859 1.041 1.00 0.00 C ATOM 534 CE2 TYR A 37 4.043 -12.092 0.823 1.00 0.00 C ATOM 535 CZ TYR A 37 3.403 -10.996 0.284 1.00 0.00 C ATOM 536 OH TYR A 37 2.950 -11.037 -1.015 1.00 0.00 O ATOM 0 H TYR A 37 5.320 -11.443 6.680 1.00 0.00 H new ATOM 0 HA TYR A 37 3.133 -10.184 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.276 -9.900 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.588 -11.624 4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.518 -8.930 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.994 -12.908 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.709 -9.002 0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.191 -12.981 0.228 1.00 0.00 H new ATOM 0 HH TYR A 37 3.165 -11.908 -1.409 1.00 0.00 H new ATOM 546 N GLN A 38 3.286 -13.435 4.884 1.00 0.00 N ATOM 547 CA GLN A 38 2.496 -14.583 4.454 1.00 0.00 C ATOM 548 C GLN A 38 1.163 -14.634 5.193 1.00 0.00 C ATOM 549 O GLN A 38 0.098 -14.572 4.580 1.00 0.00 O ATOM 550 CB GLN A 38 3.273 -15.880 4.687 1.00 0.00 C ATOM 551 CG GLN A 38 4.331 -16.154 3.631 1.00 0.00 C ATOM 552 CD GLN A 38 4.569 -17.635 3.414 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.432 -18.440 4.336 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.927 -18.004 2.189 1.00 0.00 N ATOM 0 H GLN A 38 4.242 -13.660 5.160 1.00 0.00 H new ATOM 0 HA GLN A 38 2.295 -14.475 3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.751 -15.836 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.572 -16.714 4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.026 -15.697 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.266 -15.679 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.029 -17.303 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.100 -18.988 1.983 1.00 0.00 H new ATOM 563 N LYS A 39 1.230 -14.749 6.515 1.00 0.00 N ATOM 564 CA LYS A 39 0.029 -14.809 7.340 1.00 0.00 C ATOM 565 C LYS A 39 -0.887 -13.623 7.053 1.00 0.00 C ATOM 566 O LYS A 39 -2.076 -13.651 7.377 1.00 0.00 O ATOM 567 CB LYS A 39 0.405 -14.829 8.824 1.00 0.00 C ATOM 568 CG LYS A 39 0.811 -13.470 9.367 1.00 0.00 C ATOM 569 CD LYS A 39 0.654 -13.403 10.876 1.00 0.00 C ATOM 570 CE LYS A 39 0.319 -11.993 11.340 1.00 0.00 C ATOM 571 NZ LYS A 39 0.711 -11.768 12.759 1.00 0.00 N ATOM 0 H LYS A 39 2.104 -14.803 7.038 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.505 -15.727 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.442 -15.203 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.226 -15.530 8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.847 -13.265 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.202 -12.695 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.133 -14.088 11.192 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.576 -13.735 11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.829 -11.270 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.751 -11.818 11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.466 -10.796 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.205 -12.441 13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.736 -11.910 12.863 1.00 0.00 H new ATOM 585 N LEU A 40 -0.329 -12.584 6.443 1.00 0.00 N ATOM 586 CA LEU A 40 -1.096 -11.389 6.111 1.00 0.00 C ATOM 587 C LEU A 40 -1.463 -11.371 4.630 1.00 0.00 C ATOM 588 O LEU A 40 -1.746 -10.315 4.063 1.00 0.00 O ATOM 589 CB LEU A 40 -0.300 -10.132 6.465 1.00 0.00 C ATOM 590 CG LEU A 40 -0.061 -9.887 7.956 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.839 -8.678 8.161 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.384 -9.698 8.683 1.00 0.00 C ATOM 0 H LEU A 40 0.652 -12.545 6.168 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.016 -11.405 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.668 -10.186 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.822 -9.268 6.054 1.00 0.00 H new ATOM 0 HG LEU A 40 0.439 -10.761 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.998 -8.519 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.798 -8.852 7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.367 -7.796 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.195 -9.525 9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.911 -8.841 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.995 -10.593 8.565 1.00 0.00 H new ATOM 604 N ILE A 41 -1.457 -12.547 4.010 1.00 0.00 N ATOM 605 CA ILE A 41 -1.792 -12.666 2.597 1.00 0.00 C ATOM 606 C ILE A 41 -3.071 -13.472 2.402 1.00 0.00 C ATOM 607 O ILE A 41 -3.795 -13.281 1.424 1.00 0.00 O ATOM 608 CB ILE A 41 -0.652 -13.332 1.803 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.483 -12.335 1.565 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.175 -13.874 0.481 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.143 -11.262 0.554 1.00 0.00 C ATOM 0 H ILE A 41 -1.224 -13.430 4.464 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.943 -11.654 2.221 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.261 -14.166 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.744 -11.861 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.366 -12.876 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.358 -14.342 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.953 -14.613 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.589 -13.056 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.994 -10.591 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.089 -11.726 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.721 -10.695 0.902 1.00 0.00 H new ATOM 623 N LEU A 42 -3.345 -14.373 3.339 1.00 0.00 N ATOM 624 CA LEU A 42 -4.540 -15.208 3.271 1.00 0.00 C ATOM 625 C LEU A 42 -5.645 -14.650 4.162 1.00 0.00 C ATOM 626 O LEU A 42 -6.778 -15.134 4.142 1.00 0.00 O ATOM 627 CB LEU A 42 -4.208 -16.642 3.689 1.00 0.00 C ATOM 628 CG LEU A 42 -3.063 -16.801 4.690 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.455 -16.232 6.044 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.668 -18.265 4.820 1.00 0.00 C ATOM 0 H LEU A 42 -2.757 -14.544 4.154 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.895 -15.209 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.104 -17.091 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.963 -17.213 2.793 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.202 -16.244 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.628 -16.354 6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.688 -15.172 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.330 -16.761 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.852 -18.359 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.524 -18.843 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.345 -18.642 3.850 1.00 0.00 H new ATOM 642 N LEU A 43 -5.310 -13.628 4.942 1.00 0.00 N ATOM 643 CA LEU A 43 -6.275 -13.002 5.839 1.00 0.00 C ATOM 644 C LEU A 43 -7.097 -11.948 5.104 1.00 0.00 C ATOM 645 O LEU A 43 -8.206 -11.610 5.520 1.00 0.00 O ATOM 646 CB LEU A 43 -5.555 -12.364 7.029 1.00 0.00 C ATOM 647 CG LEU A 43 -5.147 -13.315 8.155 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.049 -12.696 9.005 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.352 -13.673 9.014 1.00 0.00 C ATOM 0 H LEU A 43 -4.378 -13.215 4.971 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.951 -13.776 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.659 -11.864 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.201 -11.593 7.448 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.759 -14.231 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.772 -13.387 9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.178 -12.492 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.409 -11.765 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.043 -14.350 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.770 -12.766 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.107 -14.159 8.397 1.00 0.00 H new ATOM 661 N TYR A 44 -6.549 -11.435 4.009 1.00 0.00 N ATOM 662 CA TYR A 44 -7.232 -10.420 3.216 1.00 0.00 C ATOM 663 C TYR A 44 -7.355 -10.858 1.759 1.00 0.00 C ATOM 664 O TYR A 44 -7.756 -10.078 0.896 1.00 0.00 O ATOM 665 CB TYR A 44 -6.482 -9.089 3.298 1.00 0.00 C ATOM 666 CG TYR A 44 -6.287 -8.590 4.711 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.297 -7.901 5.372 1.00 0.00 C ATOM 668 CD2 TYR A 44 -5.092 -8.807 5.387 1.00 0.00 C ATOM 669 CE1 TYR A 44 -7.123 -7.443 6.663 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.910 -8.353 6.679 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.928 -7.672 7.313 1.00 0.00 C ATOM 672 OH TYR A 44 -5.750 -7.217 8.599 1.00 0.00 O ATOM 0 H TYR A 44 -5.633 -11.705 3.650 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.235 -10.291 3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.507 -9.201 2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.029 -8.338 2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.234 -7.721 4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.292 -9.340 4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.918 -6.908 7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.975 -8.530 7.190 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.854 -7.462 8.912 1.00 0.00 H new ATOM 682 N HIS A 45 -7.007 -12.114 1.495 1.00 0.00 N ATOM 683 CA HIS A 45 -7.079 -12.658 0.143 1.00 0.00 C ATOM 684 C HIS A 45 -8.513 -12.634 -0.376 1.00 0.00 C ATOM 685 O HIS A 45 -9.467 -12.919 0.349 1.00 0.00 O ATOM 686 CB HIS A 45 -6.539 -14.089 0.118 1.00 0.00 C ATOM 687 CG HIS A 45 -6.050 -14.520 -1.230 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.860 -15.129 -2.166 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.825 -14.427 -1.800 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.155 -15.392 -3.251 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.917 -14.976 -3.055 1.00 0.00 N ATOM 0 H HIS A 45 -6.673 -12.773 2.198 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.466 -12.034 -0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.723 -14.173 0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.324 -14.771 0.446 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.940 -14.000 -1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.528 -15.867 -4.147 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.153 -15.050 -3.727 1.00 0.00 H new ATOM 700 N PRO A 46 -8.672 -12.285 -1.661 1.00 0.00 N ATOM 701 CA PRO A 46 -9.986 -12.215 -2.306 1.00 0.00 C ATOM 702 C PRO A 46 -10.610 -13.593 -2.502 1.00 0.00 C ATOM 703 O PRO A 46 -11.801 -13.786 -2.256 1.00 0.00 O ATOM 704 CB PRO A 46 -9.683 -11.568 -3.660 1.00 0.00 C ATOM 705 CG PRO A 46 -8.256 -11.900 -3.927 1.00 0.00 C ATOM 706 CD PRO A 46 -7.580 -11.932 -2.584 1.00 0.00 C ATOM 0 HA PRO A 46 -10.706 -11.660 -1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.334 -11.961 -4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.839 -10.490 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.167 -12.862 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.797 -11.155 -4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.776 -12.668 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.138 -10.968 -2.333 1.00 0.00 H new ATOM 714 N ASP A 47 -9.799 -14.547 -2.944 1.00 0.00 N ATOM 715 CA ASP A 47 -10.272 -15.908 -3.171 1.00 0.00 C ATOM 716 C ASP A 47 -10.695 -16.562 -1.859 1.00 0.00 C ATOM 717 O ASP A 47 -11.593 -17.403 -1.834 1.00 0.00 O ATOM 718 CB ASP A 47 -9.182 -16.743 -3.844 1.00 0.00 C ATOM 719 CG ASP A 47 -9.618 -18.175 -4.089 1.00 0.00 C ATOM 720 OD1 ASP A 47 -9.614 -18.970 -3.126 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.964 -18.499 -5.244 1.00 0.00 O ATOM 0 H ASP A 47 -8.811 -14.404 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.140 -15.860 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.909 -16.282 -4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.289 -16.740 -3.220 1.00 0.00 H new ATOM 726 N LYS A 48 -10.041 -16.170 -0.771 1.00 0.00 N ATOM 727 CA LYS A 48 -10.348 -16.717 0.545 1.00 0.00 C ATOM 728 C LYS A 48 -11.437 -15.901 1.233 1.00 0.00 C ATOM 729 O LYS A 48 -11.314 -15.551 2.407 1.00 0.00 O ATOM 730 CB LYS A 48 -9.089 -16.744 1.416 1.00 0.00 C ATOM 731 CG LYS A 48 -7.990 -17.638 0.868 1.00 0.00 C ATOM 732 CD LYS A 48 -7.136 -18.218 1.983 1.00 0.00 C ATOM 733 CE LYS A 48 -5.819 -18.762 1.451 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.957 -20.158 0.953 1.00 0.00 N ATOM 0 H LYS A 48 -9.294 -15.475 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.712 -17.736 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.704 -15.729 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.357 -17.083 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.433 -18.448 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.361 -17.066 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.938 -17.448 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.684 -19.015 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.461 -18.122 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.068 -18.730 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.038 -20.493 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.274 -20.774 1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.655 -20.184 0.183 1.00 0.00 H new ATOM 748 N GLN A 49 -12.502 -15.602 0.496 1.00 0.00 N ATOM 749 CA GLN A 49 -13.612 -14.827 1.036 1.00 0.00 C ATOM 750 C GLN A 49 -14.906 -15.633 1.002 1.00 0.00 C ATOM 751 O GLN A 49 -14.914 -16.796 0.597 1.00 0.00 O ATOM 752 CB GLN A 49 -13.786 -13.527 0.249 1.00 0.00 C ATOM 753 CG GLN A 49 -12.571 -12.615 0.305 1.00 0.00 C ATOM 754 CD GLN A 49 -12.323 -12.058 1.693 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.012 -11.140 2.138 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.335 -12.613 2.386 1.00 0.00 N ATOM 0 H GLN A 49 -12.619 -15.885 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.382 -14.586 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.001 -13.768 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.651 -12.990 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.691 -13.168 -0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.708 -11.790 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.789 -13.372 1.978 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.122 -12.280 3.326 1.00 0.00 H new ATOM 765 N SER A 50 -15.999 -15.008 1.429 1.00 0.00 N ATOM 766 CA SER A 50 -17.298 -15.669 1.451 1.00 0.00 C ATOM 767 C SER A 50 -18.426 -14.647 1.548 1.00 0.00 C ATOM 768 O SER A 50 -18.330 -13.669 2.289 1.00 0.00 O ATOM 769 CB SER A 50 -17.378 -16.646 2.626 1.00 0.00 C ATOM 770 OG SER A 50 -18.716 -17.044 2.869 1.00 0.00 O ATOM 0 H SER A 50 -16.010 -14.045 1.764 1.00 0.00 H new ATOM 0 HA SER A 50 -17.411 -16.223 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.767 -17.524 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.966 -16.178 3.520 1.00 0.00 H new ATOM 0 HG SER A 50 -18.786 -17.425 3.769 1.00 0.00 H new ATOM 776 N ALA A 51 -19.495 -14.880 0.793 1.00 0.00 N ATOM 777 CA ALA A 51 -20.643 -13.982 0.794 1.00 0.00 C ATOM 778 C ALA A 51 -21.017 -13.571 2.215 1.00 0.00 C ATOM 779 O ALA A 51 -21.534 -12.477 2.439 1.00 0.00 O ATOM 780 CB ALA A 51 -21.828 -14.639 0.103 1.00 0.00 C ATOM 0 H ALA A 51 -19.590 -15.684 0.172 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.370 -13.082 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.678 -13.957 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.563 -14.876 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -22.093 -15.556 0.629 1.00 0.00 H new ATOM 786 N ASP A 52 -20.752 -14.455 3.170 1.00 0.00 N ATOM 787 CA ASP A 52 -21.060 -14.185 4.569 1.00 0.00 C ATOM 788 C ASP A 52 -20.604 -12.784 4.965 1.00 0.00 C ATOM 789 O ASP A 52 -21.295 -12.079 5.701 1.00 0.00 O ATOM 790 CB ASP A 52 -20.395 -15.225 5.471 1.00 0.00 C ATOM 791 CG ASP A 52 -18.970 -15.528 5.052 1.00 0.00 C ATOM 792 OD1 ASP A 52 -18.312 -14.626 4.492 1.00 0.00 O ATOM 793 OD2 ASP A 52 -18.512 -16.667 5.284 1.00 0.00 O ATOM 0 H ASP A 52 -20.324 -15.365 3.001 1.00 0.00 H new ATOM 0 HA ASP A 52 -22.141 -14.245 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -20.399 -14.865 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -20.980 -16.145 5.452 1.00 0.00 H new ATOM 798 N VAL A 53 -19.435 -12.387 4.473 1.00 0.00 N ATOM 799 CA VAL A 53 -18.885 -11.071 4.775 1.00 0.00 C ATOM 800 C VAL A 53 -19.647 -9.975 4.038 1.00 0.00 C ATOM 801 O VAL A 53 -20.009 -10.114 2.870 1.00 0.00 O ATOM 802 CB VAL A 53 -17.394 -10.985 4.400 1.00 0.00 C ATOM 803 CG1 VAL A 53 -16.599 -12.065 5.119 1.00 0.00 C ATOM 804 CG2 VAL A 53 -17.217 -11.096 2.893 1.00 0.00 C ATOM 0 H VAL A 53 -18.850 -12.958 3.863 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.990 -10.924 5.850 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.013 -10.015 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.548 -11.988 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.700 -11.935 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.979 -13.046 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -16.157 -11.033 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.614 -12.051 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.753 -10.283 2.403 1.00 0.00 H new ATOM 814 N PRO A 54 -19.897 -8.856 4.736 1.00 0.00 N ATOM 815 CA PRO A 54 -20.617 -7.714 4.167 1.00 0.00 C ATOM 816 C PRO A 54 -19.802 -6.985 3.103 1.00 0.00 C ATOM 817 O PRO A 54 -18.625 -7.281 2.900 1.00 0.00 O ATOM 818 CB PRO A 54 -20.852 -6.805 5.376 1.00 0.00 C ATOM 819 CG PRO A 54 -19.763 -7.155 6.330 1.00 0.00 C ATOM 820 CD PRO A 54 -19.495 -8.622 6.133 1.00 0.00 C ATOM 0 HA PRO A 54 -21.533 -8.021 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.809 -5.753 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.834 -6.977 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.868 -6.565 6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.063 -6.948 7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.445 -8.864 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -20.074 -9.233 6.826 1.00 0.00 H new ATOM 828 N ALA A 55 -20.436 -6.032 2.428 1.00 0.00 N ATOM 829 CA ALA A 55 -19.769 -5.261 1.387 1.00 0.00 C ATOM 830 C ALA A 55 -18.699 -4.350 1.980 1.00 0.00 C ATOM 831 O ALA A 55 -17.584 -4.270 1.466 1.00 0.00 O ATOM 832 CB ALA A 55 -20.785 -4.443 0.603 1.00 0.00 C ATOM 0 H ALA A 55 -21.411 -5.776 2.584 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.280 -5.960 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.273 -3.872 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.511 -5.111 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.300 -3.759 1.278 1.00 0.00 H new ATOM 838 N GLY A 56 -19.046 -3.665 3.065 1.00 0.00 N ATOM 839 CA GLY A 56 -18.104 -2.768 3.709 1.00 0.00 C ATOM 840 C GLY A 56 -16.812 -3.463 4.093 1.00 0.00 C ATOM 841 O GLY A 56 -15.728 -2.893 3.962 1.00 0.00 O ATOM 0 H GLY A 56 -19.963 -3.715 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.881 -1.938 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.564 -2.343 4.601 1.00 0.00 H new ATOM 845 N THR A 57 -16.926 -4.698 4.571 1.00 0.00 N ATOM 846 CA THR A 57 -15.759 -5.470 4.979 1.00 0.00 C ATOM 847 C THR A 57 -14.849 -5.760 3.790 1.00 0.00 C ATOM 848 O THR A 57 -13.625 -5.724 3.911 1.00 0.00 O ATOM 849 CB THR A 57 -16.168 -6.803 5.634 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.760 -6.558 6.914 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.964 -7.720 5.793 1.00 0.00 C ATOM 0 H THR A 57 -17.815 -5.185 4.685 1.00 0.00 H new ATOM 0 HA THR A 57 -15.219 -4.866 5.708 1.00 0.00 H new ATOM 0 HB THR A 57 -16.895 -7.293 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 57 -17.019 -7.410 7.323 1.00 0.00 H new ATOM 0 HG21 THR A 57 -15.277 -8.655 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 57 -14.533 -7.928 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.218 -7.235 6.422 1.00 0.00 H new ATOM 859 N MET A 58 -15.455 -6.045 2.642 1.00 0.00 N ATOM 860 CA MET A 58 -14.698 -6.339 1.431 1.00 0.00 C ATOM 861 C MET A 58 -13.765 -5.184 1.080 1.00 0.00 C ATOM 862 O MET A 58 -12.572 -5.385 0.858 1.00 0.00 O ATOM 863 CB MET A 58 -15.648 -6.615 0.264 1.00 0.00 C ATOM 864 CG MET A 58 -16.032 -8.080 0.127 1.00 0.00 C ATOM 865 SD MET A 58 -14.904 -8.997 -0.939 1.00 0.00 S ATOM 866 CE MET A 58 -13.358 -8.780 -0.061 1.00 0.00 C ATOM 0 H MET A 58 -16.468 -6.079 2.525 1.00 0.00 H new ATOM 0 HA MET A 58 -14.094 -7.228 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.553 -6.021 0.394 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.179 -6.282 -0.662 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.048 -8.541 1.114 1.00 0.00 H new ATOM 0 HG3 MET A 58 -17.043 -8.151 -0.274 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.614 -9.470 -0.459 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.008 -7.756 -0.189 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.510 -8.982 0.999 1.00 0.00 H new ATOM 876 N GLU A 59 -14.318 -3.976 1.032 1.00 0.00 N ATOM 877 CA GLU A 59 -13.534 -2.791 0.706 1.00 0.00 C ATOM 878 C GLU A 59 -12.319 -2.674 1.621 1.00 0.00 C ATOM 879 O GLU A 59 -11.205 -2.425 1.162 1.00 0.00 O ATOM 880 CB GLU A 59 -14.398 -1.533 0.823 1.00 0.00 C ATOM 881 CG GLU A 59 -15.260 -1.270 -0.400 1.00 0.00 C ATOM 882 CD GLU A 59 -14.491 -0.603 -1.523 1.00 0.00 C ATOM 883 OE1 GLU A 59 -14.096 0.570 -1.358 1.00 0.00 O ATOM 884 OE2 GLU A 59 -14.284 -1.255 -2.569 1.00 0.00 O ATOM 0 H GLU A 59 -15.305 -3.793 1.215 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.185 -2.889 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.042 -1.625 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.751 -0.673 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.674 -2.213 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.103 -0.639 -0.117 1.00 0.00 H new ATOM 891 N GLU A 60 -12.543 -2.855 2.919 1.00 0.00 N ATOM 892 CA GLU A 60 -11.467 -2.768 3.899 1.00 0.00 C ATOM 893 C GLU A 60 -10.480 -3.919 3.727 1.00 0.00 C ATOM 894 O GLU A 60 -9.267 -3.733 3.837 1.00 0.00 O ATOM 895 CB GLU A 60 -12.037 -2.779 5.319 1.00 0.00 C ATOM 896 CG GLU A 60 -13.189 -1.808 5.520 1.00 0.00 C ATOM 897 CD GLU A 60 -13.911 -2.024 6.835 1.00 0.00 C ATOM 898 OE1 GLU A 60 -14.053 -3.194 7.248 1.00 0.00 O ATOM 899 OE2 GLU A 60 -14.335 -1.024 7.451 1.00 0.00 O ATOM 0 H GLU A 60 -13.459 -3.063 3.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.937 -1.830 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.377 -3.787 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.241 -2.536 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.809 -0.787 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.898 -1.916 4.699 1.00 0.00 H new ATOM 906 N CYS A 61 -11.008 -5.107 3.456 1.00 0.00 N ATOM 907 CA CYS A 61 -10.175 -6.290 3.270 1.00 0.00 C ATOM 908 C CYS A 61 -9.151 -6.064 2.162 1.00 0.00 C ATOM 909 O CYS A 61 -7.976 -6.397 2.312 1.00 0.00 O ATOM 910 CB CYS A 61 -11.043 -7.504 2.939 1.00 0.00 C ATOM 911 SG CYS A 61 -11.621 -8.416 4.389 1.00 0.00 S ATOM 0 H CYS A 61 -12.009 -5.277 3.360 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.641 -6.478 4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.907 -7.173 2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.475 -8.180 2.301 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.349 -9.423 4.007 1.00 0.00 H new ATOM 917 N MET A 62 -9.606 -5.499 1.049 1.00 0.00 N ATOM 918 CA MET A 62 -8.729 -5.229 -0.085 1.00 0.00 C ATOM 919 C MET A 62 -7.641 -4.231 0.295 1.00 0.00 C ATOM 920 O MET A 62 -6.454 -4.558 0.278 1.00 0.00 O ATOM 921 CB MET A 62 -9.539 -4.694 -1.267 1.00 0.00 C ATOM 922 CG MET A 62 -8.720 -4.518 -2.535 1.00 0.00 C ATOM 923 SD MET A 62 -9.698 -4.749 -4.032 1.00 0.00 S ATOM 924 CE MET A 62 -8.436 -5.286 -5.183 1.00 0.00 C ATOM 0 H MET A 62 -10.577 -5.219 0.908 1.00 0.00 H new ATOM 0 HA MET A 62 -8.252 -6.165 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.365 -5.376 -1.469 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.978 -3.735 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 62 -8.280 -3.521 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.895 -5.230 -2.531 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.908 -5.720 -6.064 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.828 -4.432 -5.481 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.802 -6.034 -4.706 1.00 0.00 H new ATOM 934 N GLN A 63 -8.052 -3.014 0.636 1.00 0.00 N ATOM 935 CA GLN A 63 -7.111 -1.969 1.019 1.00 0.00 C ATOM 936 C GLN A 63 -5.915 -2.558 1.761 1.00 0.00 C ATOM 937 O GLN A 63 -4.784 -2.099 1.602 1.00 0.00 O ATOM 938 CB GLN A 63 -7.804 -0.924 1.895 1.00 0.00 C ATOM 939 CG GLN A 63 -8.860 -0.116 1.157 1.00 0.00 C ATOM 940 CD GLN A 63 -8.302 0.605 -0.054 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.431 1.466 0.069 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.802 0.256 -1.234 1.00 0.00 N ATOM 0 H GLN A 63 -9.031 -2.728 0.655 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.751 -1.489 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.269 -1.424 2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.053 -0.244 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.665 -0.780 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.297 0.613 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.523 -0.463 -1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.465 0.707 -2.084 1.00 0.00 H new ATOM 951 N LYS A 64 -6.173 -3.579 2.572 1.00 0.00 N ATOM 952 CA LYS A 64 -5.119 -4.233 3.338 1.00 0.00 C ATOM 953 C LYS A 64 -4.239 -5.089 2.433 1.00 0.00 C ATOM 954 O LYS A 64 -3.019 -4.925 2.401 1.00 0.00 O ATOM 955 CB LYS A 64 -5.726 -5.099 4.444 1.00 0.00 C ATOM 956 CG LYS A 64 -6.249 -4.299 5.624 1.00 0.00 C ATOM 957 CD LYS A 64 -5.177 -4.099 6.682 1.00 0.00 C ATOM 958 CE LYS A 64 -4.066 -3.187 6.183 1.00 0.00 C ATOM 959 NZ LYS A 64 -3.196 -2.713 7.294 1.00 0.00 N ATOM 0 H LYS A 64 -7.104 -3.971 2.715 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.500 -3.458 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.541 -5.689 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.972 -5.803 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.605 -3.329 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.103 -4.814 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.625 -3.672 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.758 -5.065 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.461 -3.720 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.503 -2.329 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.452 -2.095 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.769 -2.182 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.759 -3.530 7.766 1.00 0.00 H new ATOM 973 N PHE A 65 -4.866 -6.000 1.696 1.00 0.00 N ATOM 974 CA PHE A 65 -4.139 -6.882 0.790 1.00 0.00 C ATOM 975 C PHE A 65 -3.146 -6.091 -0.057 1.00 0.00 C ATOM 976 O PHE A 65 -1.938 -6.320 0.009 1.00 0.00 O ATOM 977 CB PHE A 65 -5.116 -7.632 -0.118 1.00 0.00 C ATOM 978 CG PHE A 65 -4.442 -8.555 -1.092 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.835 -9.721 -0.655 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.414 -8.256 -2.444 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.213 -10.573 -1.549 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.794 -9.104 -3.343 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.192 -10.263 -2.894 1.00 0.00 C ATOM 0 H PHE A 65 -5.875 -6.147 1.708 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.585 -7.603 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.804 -8.209 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.715 -6.908 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.848 -9.968 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.882 -7.350 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.744 -11.480 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.781 -8.860 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.705 -10.926 -3.594 1.00 0.00 H new ATOM 993 N ILE A 66 -3.664 -5.162 -0.853 1.00 0.00 N ATOM 994 CA ILE A 66 -2.823 -4.338 -1.712 1.00 0.00 C ATOM 995 C ILE A 66 -1.546 -3.918 -0.993 1.00 0.00 C ATOM 996 O ILE A 66 -0.441 -4.187 -1.462 1.00 0.00 O ATOM 997 CB ILE A 66 -3.569 -3.077 -2.187 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.568 -3.434 -3.291 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.581 -2.030 -2.679 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.834 -4.080 -2.774 1.00 0.00 C ATOM 0 H ILE A 66 -4.662 -4.961 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.565 -4.947 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.120 -2.660 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.829 -2.529 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.088 -4.109 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.124 -1.145 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.905 -1.758 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.005 -2.436 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.495 -4.306 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.584 -5.003 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.337 -3.398 -2.088 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.706 -3.259 0.150 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.565 -2.803 0.935 1.00 0.00 C ATOM 1014 C GLU A 67 0.371 -3.964 1.259 1.00 0.00 C ATOM 1015 O GLU A 67 1.572 -3.898 0.999 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.040 -2.139 2.229 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.666 -0.771 2.018 1.00 0.00 C ATOM 1018 CD GLU A 67 -0.634 0.309 1.760 1.00 0.00 C ATOM 1019 OE1 GLU A 67 0.389 0.010 1.108 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -0.849 1.454 2.210 1.00 0.00 O ATOM 0 H GLU A 67 -2.614 -3.029 0.553 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.017 -2.072 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.766 -2.790 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.194 -2.041 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.356 -0.817 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.253 -0.505 2.897 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.189 -5.025 1.830 1.00 0.00 N ATOM 1028 CA ILE A 68 0.594 -6.201 2.190 1.00 0.00 C ATOM 1029 C ILE A 68 1.486 -6.642 1.034 1.00 0.00 C ATOM 1030 O ILE A 68 2.680 -6.882 1.215 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.312 -7.377 2.601 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.206 -6.973 3.776 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.529 -8.592 2.962 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.537 -7.692 3.797 1.00 0.00 C ATOM 0 H ILE A 68 -1.182 -5.095 2.053 1.00 0.00 H new ATOM 0 HA ILE A 68 1.216 -5.918 3.039 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.949 -7.639 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.679 -7.173 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.383 -5.898 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.125 -9.415 3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.128 -8.889 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.188 -8.344 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.118 -7.357 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.084 -7.472 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.369 -8.767 3.870 1.00 0.00 H new ATOM 1046 N ASP A 69 0.900 -6.744 -0.153 1.00 0.00 N ATOM 1047 CA ASP A 69 1.642 -7.153 -1.340 1.00 0.00 C ATOM 1048 C ASP A 69 2.757 -6.160 -1.652 1.00 0.00 C ATOM 1049 O ASP A 69 3.709 -6.484 -2.362 1.00 0.00 O ATOM 1050 CB ASP A 69 0.701 -7.275 -2.539 1.00 0.00 C ATOM 1051 CG ASP A 69 1.310 -8.075 -3.674 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.237 -7.560 -4.333 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.859 -9.217 -3.902 1.00 0.00 O ATOM 0 H ASP A 69 -0.087 -6.549 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 69 2.091 -8.126 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.228 -7.749 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.444 -6.279 -2.898 1.00 0.00 H new ATOM 1058 N GLN A 70 2.631 -4.949 -1.118 1.00 0.00 N ATOM 1059 CA GLN A 70 3.628 -3.909 -1.342 1.00 0.00 C ATOM 1060 C GLN A 70 4.720 -3.963 -0.278 1.00 0.00 C ATOM 1061 O GLN A 70 5.902 -4.095 -0.595 1.00 0.00 O ATOM 1062 CB GLN A 70 2.966 -2.530 -1.339 1.00 0.00 C ATOM 1063 CG GLN A 70 2.496 -2.078 -2.713 1.00 0.00 C ATOM 1064 CD GLN A 70 1.597 -0.859 -2.650 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.672 -0.066 -1.711 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.740 -0.703 -3.652 1.00 0.00 N ATOM 0 H GLN A 70 1.849 -4.664 -0.528 1.00 0.00 H new ATOM 0 HA GLN A 70 4.086 -4.083 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.114 -2.547 -0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.672 -1.798 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.363 -1.853 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.961 -2.895 -3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.712 -1.385 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.110 0.099 -3.664 1.00 0.00 H new ATOM 1075 N ALA A 71 4.316 -3.861 0.984 1.00 0.00 N ATOM 1076 CA ALA A 71 5.260 -3.901 2.094 1.00 0.00 C ATOM 1077 C ALA A 71 6.314 -4.982 1.880 1.00 0.00 C ATOM 1078 O ALA A 71 7.410 -4.912 2.436 1.00 0.00 O ATOM 1079 CB ALA A 71 4.523 -4.131 3.405 1.00 0.00 C ATOM 0 H ALA A 71 3.341 -3.750 1.263 1.00 0.00 H new ATOM 0 HA ALA A 71 5.770 -2.939 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.240 -4.159 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.813 -3.320 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.987 -5.079 3.360 1.00 0.00 H new ATOM 1085 N TRP A 72 5.975 -5.980 1.072 1.00 0.00 N ATOM 1086 CA TRP A 72 6.893 -7.076 0.785 1.00 0.00 C ATOM 1087 C TRP A 72 7.885 -6.686 -0.305 1.00 0.00 C ATOM 1088 O TRP A 72 9.057 -7.059 -0.256 1.00 0.00 O ATOM 1089 CB TRP A 72 6.115 -8.323 0.362 1.00 0.00 C ATOM 1090 CG TRP A 72 6.985 -9.526 0.158 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.094 -10.276 -0.978 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.868 -10.118 1.117 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.990 -11.299 -0.783 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.480 -11.223 0.495 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.202 -9.821 2.442 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.404 -12.030 1.152 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.119 -10.623 3.093 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.712 -11.717 2.448 1.00 0.00 C ATOM 0 H TRP A 72 5.072 -6.053 0.604 1.00 0.00 H new ATOM 0 HA TRP A 72 7.451 -7.296 1.695 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.366 -8.550 1.121 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.578 -8.111 -0.563 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.555 -10.092 -1.895 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.249 -12.001 -1.476 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.751 -8.980 2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.862 -12.873 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.384 -10.403 4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.426 -12.325 2.984 1.00 0.00 H new ATOM 1109 N LYS A 73 7.407 -5.931 -1.290 1.00 0.00 N ATOM 1110 CA LYS A 73 8.252 -5.488 -2.393 1.00 0.00 C ATOM 1111 C LYS A 73 9.549 -4.876 -1.873 1.00 0.00 C ATOM 1112 O LYS A 73 10.598 -4.992 -2.507 1.00 0.00 O ATOM 1113 CB LYS A 73 7.505 -4.470 -3.257 1.00 0.00 C ATOM 1114 CG LYS A 73 6.423 -5.087 -4.126 1.00 0.00 C ATOM 1115 CD LYS A 73 5.674 -4.029 -4.919 1.00 0.00 C ATOM 1116 CE LYS A 73 4.811 -4.653 -6.005 1.00 0.00 C ATOM 1117 NZ LYS A 73 5.596 -4.950 -7.235 1.00 0.00 N ATOM 0 H LYS A 73 6.439 -5.614 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 73 8.500 -6.358 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.054 -3.718 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.221 -3.953 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.871 -5.807 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.722 -5.638 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.047 -3.444 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.387 -3.339 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.363 -5.573 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.992 -3.977 -6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.972 -5.374 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.003 -4.069 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.362 -5.615 -7.006 1.00 0.00 H new ATOM 1131 N ILE A 74 9.469 -4.226 -0.717 1.00 0.00 N ATOM 1132 CA ILE A 74 10.637 -3.598 -0.112 1.00 0.00 C ATOM 1133 C ILE A 74 11.299 -4.528 0.899 1.00 0.00 C ATOM 1134 O ILE A 74 12.512 -4.740 0.864 1.00 0.00 O ATOM 1135 CB ILE A 74 10.268 -2.276 0.587 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.806 -1.242 -0.442 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.453 -1.748 1.381 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.480 -1.582 -1.087 1.00 0.00 C ATOM 0 H ILE A 74 8.608 -4.120 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 74 11.337 -3.388 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 74 9.447 -2.464 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.726 -0.269 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.565 -1.150 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.177 -0.813 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.741 -2.480 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.292 -1.571 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.215 -0.806 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.560 -2.540 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.708 -1.646 -0.320 1.00 0.00 H new ATOM 1150 N LEU A 75 10.494 -5.081 1.800 1.00 0.00 N ATOM 1151 CA LEU A 75 11.001 -5.991 2.822 1.00 0.00 C ATOM 1152 C LEU A 75 11.127 -7.409 2.274 1.00 0.00 C ATOM 1153 O LEU A 75 11.198 -8.374 3.033 1.00 0.00 O ATOM 1154 CB LEU A 75 10.078 -5.983 4.042 1.00 0.00 C ATOM 1155 CG LEU A 75 9.672 -4.606 4.568 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.866 -4.741 5.851 1.00 0.00 C ATOM 1157 CD2 LEU A 75 10.902 -3.740 4.798 1.00 0.00 C ATOM 0 H LEU A 75 9.488 -4.915 1.844 1.00 0.00 H new ATOM 0 HA LEU A 75 11.991 -5.648 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.172 -6.535 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.570 -6.527 4.848 1.00 0.00 H new ATOM 0 HG LEU A 75 9.046 -4.122 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.586 -3.751 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.966 -5.324 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.468 -5.245 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.595 -2.764 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.553 -4.220 5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.440 -3.615 3.858 1.00 0.00 H new ATOM 1169 N GLY A 76 11.157 -7.526 0.950 1.00 0.00 N ATOM 1170 CA GLY A 76 11.278 -8.829 0.323 1.00 0.00 C ATOM 1171 C GLY A 76 12.707 -9.161 -0.055 1.00 0.00 C ATOM 1172 O GLY A 76 13.154 -10.295 0.112 1.00 0.00 O ATOM 0 H GLY A 76 11.100 -6.742 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.899 -9.592 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.653 -8.858 -0.570 1.00 0.00 H new ATOM 1176 N ASN A 77 13.427 -8.169 -0.569 1.00 0.00 N ATOM 1177 CA ASN A 77 14.814 -8.361 -0.975 1.00 0.00 C ATOM 1178 C ASN A 77 15.771 -7.892 0.117 1.00 0.00 C ATOM 1179 O ASN A 77 15.366 -7.214 1.061 1.00 0.00 O ATOM 1180 CB ASN A 77 15.097 -7.606 -2.275 1.00 0.00 C ATOM 1181 CG ASN A 77 14.267 -8.120 -3.435 1.00 0.00 C ATOM 1182 OD1 ASN A 77 13.282 -8.833 -3.240 1.00 0.00 O ATOM 1183 ND2 ASN A 77 14.662 -7.761 -4.651 1.00 0.00 N ATOM 0 H ASN A 77 13.072 -7.224 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 77 14.973 -9.427 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.893 -6.545 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.155 -7.696 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.143 -8.078 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.484 -7.169 -4.766 1.00 0.00 H new ATOM 1190 N GLU A 78 17.042 -8.258 -0.020 1.00 0.00 N ATOM 1191 CA GLU A 78 18.055 -7.875 0.956 1.00 0.00 C ATOM 1192 C GLU A 78 18.548 -6.454 0.698 1.00 0.00 C ATOM 1193 O GLU A 78 18.970 -5.756 1.620 1.00 0.00 O ATOM 1194 CB GLU A 78 19.233 -8.851 0.912 1.00 0.00 C ATOM 1195 CG GLU A 78 20.120 -8.791 2.143 1.00 0.00 C ATOM 1196 CD GLU A 78 21.473 -9.439 1.920 1.00 0.00 C ATOM 1197 OE1 GLU A 78 22.087 -9.182 0.864 1.00 0.00 O ATOM 1198 OE2 GLU A 78 21.917 -10.203 2.803 1.00 0.00 O ATOM 0 H GLU A 78 17.394 -8.818 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 78 17.601 -7.910 1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.849 -9.865 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.836 -8.639 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.263 -7.750 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.617 -9.286 2.973 1.00 0.00 H new ATOM 1205 N GLU A 79 18.492 -6.034 -0.562 1.00 0.00 N ATOM 1206 CA GLU A 79 18.934 -4.697 -0.941 1.00 0.00 C ATOM 1207 C GLU A 79 17.899 -3.648 -0.545 1.00 0.00 C ATOM 1208 O GLU A 79 18.186 -2.737 0.233 1.00 0.00 O ATOM 1209 CB GLU A 79 19.194 -4.629 -2.447 1.00 0.00 C ATOM 1210 CG GLU A 79 19.611 -3.251 -2.932 1.00 0.00 C ATOM 1211 CD GLU A 79 19.216 -2.996 -4.374 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.119 -3.437 -4.775 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.004 -2.355 -5.100 1.00 0.00 O ATOM 0 H GLU A 79 18.145 -6.600 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 79 19.862 -4.486 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.973 -5.347 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.291 -4.933 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.156 -2.493 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.691 -3.146 -2.831 1.00 0.00 H new ATOM 1220 N THR A 80 16.692 -3.784 -1.085 1.00 0.00 N ATOM 1221 CA THR A 80 15.613 -2.849 -0.791 1.00 0.00 C ATOM 1222 C THR A 80 15.380 -2.734 0.711 1.00 0.00 C ATOM 1223 O THR A 80 15.159 -1.641 1.234 1.00 0.00 O ATOM 1224 CB THR A 80 14.299 -3.274 -1.472 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.968 -4.618 -1.102 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.416 -3.174 -2.985 1.00 0.00 C ATOM 0 H THR A 80 16.437 -4.533 -1.729 1.00 0.00 H new ATOM 0 HA THR A 80 15.919 -1.880 -1.184 1.00 0.00 H new ATOM 0 HB THR A 80 13.509 -2.600 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.719 -4.645 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.476 -3.479 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.639 -2.145 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.217 -3.826 -3.332 1.00 0.00 H new ATOM 1234 N LYS A 81 15.431 -3.868 1.401 1.00 0.00 N ATOM 1235 CA LYS A 81 15.227 -3.895 2.845 1.00 0.00 C ATOM 1236 C LYS A 81 16.292 -3.070 3.561 1.00 0.00 C ATOM 1237 O LYS A 81 16.018 -2.430 4.576 1.00 0.00 O ATOM 1238 CB LYS A 81 15.254 -5.337 3.357 1.00 0.00 C ATOM 1239 CG LYS A 81 15.019 -5.455 4.853 1.00 0.00 C ATOM 1240 CD LYS A 81 16.323 -5.386 5.630 1.00 0.00 C ATOM 1241 CE LYS A 81 16.126 -5.783 7.085 1.00 0.00 C ATOM 1242 NZ LYS A 81 17.223 -5.270 7.953 1.00 0.00 N ATOM 0 H LYS A 81 15.612 -4.781 0.984 1.00 0.00 H new ATOM 0 HA LYS A 81 14.251 -3.458 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.494 -5.915 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.218 -5.783 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.356 -4.655 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.515 -6.397 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.058 -6.045 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.725 -4.374 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.171 -5.397 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.080 -6.869 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.052 -5.561 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.132 -5.658 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.251 -4.232 7.900 1.00 0.00 H new ATOM 1256 N LYS A 82 17.507 -3.088 3.024 1.00 0.00 N ATOM 1257 CA LYS A 82 18.614 -2.339 3.609 1.00 0.00 C ATOM 1258 C LYS A 82 18.423 -0.840 3.406 1.00 0.00 C ATOM 1259 O LYS A 82 18.559 -0.054 4.344 1.00 0.00 O ATOM 1260 CB LYS A 82 19.941 -2.784 2.989 1.00 0.00 C ATOM 1261 CG LYS A 82 21.108 -1.876 3.337 1.00 0.00 C ATOM 1262 CD LYS A 82 22.439 -2.591 3.172 1.00 0.00 C ATOM 1263 CE LYS A 82 23.582 -1.605 2.989 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.991 -0.984 4.279 1.00 0.00 N ATOM 0 H LYS A 82 17.751 -3.613 2.184 1.00 0.00 H new ATOM 0 HA LYS A 82 18.634 -2.543 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.167 -3.797 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.832 -2.822 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.086 -0.993 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.006 -1.528 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.630 -3.213 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.391 -3.258 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 82 24.436 -2.117 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.280 -0.825 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.772 -0.318 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.183 -0.474 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.303 -1.726 4.938 1.00 0.00 H new ATOM 1278 N LYS A 83 18.106 -0.449 2.177 1.00 0.00 N ATOM 1279 CA LYS A 83 17.894 0.957 1.851 1.00 0.00 C ATOM 1280 C LYS A 83 16.811 1.563 2.738 1.00 0.00 C ATOM 1281 O LYS A 83 17.032 2.579 3.397 1.00 0.00 O ATOM 1282 CB LYS A 83 17.506 1.107 0.378 1.00 0.00 C ATOM 1283 CG LYS A 83 18.467 0.421 -0.577 1.00 0.00 C ATOM 1284 CD LYS A 83 18.107 0.701 -2.026 1.00 0.00 C ATOM 1285 CE LYS A 83 17.121 -0.324 -2.564 1.00 0.00 C ATOM 1286 NZ LYS A 83 17.002 -0.255 -4.047 1.00 0.00 N ATOM 0 H LYS A 83 17.990 -1.086 1.389 1.00 0.00 H new ATOM 0 HA LYS A 83 18.827 1.491 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.507 0.698 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.456 2.167 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.483 0.763 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.453 -0.654 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.677 1.699 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 83 19.011 0.692 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.441 -1.324 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.143 -0.158 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.321 -0.969 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.672 0.691 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.930 -0.439 -4.479 1.00 0.00 H new ATOM 1300 N TYR A 84 15.641 0.933 2.749 1.00 0.00 N ATOM 1301 CA TYR A 84 14.524 1.411 3.555 1.00 0.00 C ATOM 1302 C TYR A 84 14.974 1.729 4.977 1.00 0.00 C ATOM 1303 O TYR A 84 14.634 2.776 5.529 1.00 0.00 O ATOM 1304 CB TYR A 84 13.405 0.369 3.583 1.00 0.00 C ATOM 1305 CG TYR A 84 12.140 0.856 4.252 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.366 1.856 3.674 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.718 0.318 5.461 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.210 2.305 4.282 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.562 0.760 6.075 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.812 1.753 5.482 1.00 0.00 C ATOM 1311 OH TYR A 84 8.660 2.197 6.091 1.00 0.00 O ATOM 0 H TYR A 84 15.442 0.091 2.209 1.00 0.00 H new ATOM 0 HA TYR A 84 14.147 2.327 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.173 0.070 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.761 -0.520 4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.674 2.289 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.304 -0.459 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 84 9.621 3.084 3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.248 0.330 7.014 1.00 0.00 H new ATOM 0 HH TYR A 84 8.060 2.579 5.417 1.00 0.00 H new ATOM 1321 N ASP A 85 15.741 0.818 5.565 1.00 0.00 N ATOM 1322 CA ASP A 85 16.241 1.000 6.923 1.00 0.00 C ATOM 1323 C ASP A 85 16.972 2.332 7.059 1.00 0.00 C ATOM 1324 O ASP A 85 16.726 3.094 7.995 1.00 0.00 O ATOM 1325 CB ASP A 85 17.175 -0.150 7.304 1.00 0.00 C ATOM 1326 CG ASP A 85 17.151 -0.446 8.791 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.198 -1.109 9.248 1.00 0.00 O ATOM 1328 OD2 ASP A 85 18.087 -0.014 9.497 1.00 0.00 O ATOM 0 H ASP A 85 16.030 -0.054 5.123 1.00 0.00 H new ATOM 0 HA ASP A 85 15.387 1.004 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.887 -1.046 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.193 0.097 7.002 1.00 0.00 H new ATOM 1333 N LEU A 86 17.871 2.606 6.121 1.00 0.00 N ATOM 1334 CA LEU A 86 18.640 3.846 6.136 1.00 0.00 C ATOM 1335 C LEU A 86 17.725 5.055 5.969 1.00 0.00 C ATOM 1336 O LEU A 86 17.954 6.105 6.568 1.00 0.00 O ATOM 1337 CB LEU A 86 19.692 3.830 5.026 1.00 0.00 C ATOM 1338 CG LEU A 86 20.952 3.011 5.308 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.618 3.479 6.592 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.617 1.529 5.388 1.00 0.00 C ATOM 0 H LEU A 86 18.086 1.986 5.340 1.00 0.00 H new ATOM 0 HA LEU A 86 19.141 3.923 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.228 3.444 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.990 4.858 4.820 1.00 0.00 H new ATOM 0 HG LEU A 86 21.651 3.162 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.513 2.884 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.894 4.529 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.926 3.360 7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.525 0.961 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.899 1.361 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.187 1.202 4.442 1.00 0.00 H new ATOM 1352 N GLN A 87 16.688 4.898 5.153 1.00 0.00 N ATOM 1353 CA GLN A 87 15.738 5.977 4.908 1.00 0.00 C ATOM 1354 C GLN A 87 14.955 6.310 6.174 1.00 0.00 C ATOM 1355 O GLN A 87 14.975 7.446 6.647 1.00 0.00 O ATOM 1356 CB GLN A 87 14.775 5.592 3.785 1.00 0.00 C ATOM 1357 CG GLN A 87 15.385 5.699 2.396 1.00 0.00 C ATOM 1358 CD GLN A 87 15.408 7.124 1.878 1.00 0.00 C ATOM 1359 OE1 GLN A 87 15.302 8.079 2.648 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.546 7.274 0.566 1.00 0.00 N ATOM 0 H GLN A 87 16.484 4.034 4.650 1.00 0.00 H new ATOM 0 HA GLN A 87 16.300 6.861 4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.434 4.569 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.895 6.233 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.402 5.308 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.819 5.074 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.631 6.454 -0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.568 8.209 0.159 1.00 0.00 H new ATOM 1369 N ARG A 88 14.267 5.311 6.718 1.00 0.00 N ATOM 1370 CA ARG A 88 13.476 5.499 7.928 1.00 0.00 C ATOM 1371 C ARG A 88 14.328 6.084 9.050 1.00 0.00 C ATOM 1372 O ARG A 88 15.533 5.838 9.120 1.00 0.00 O ATOM 1373 CB ARG A 88 12.867 4.169 8.376 1.00 0.00 C ATOM 1374 CG ARG A 88 13.893 3.170 8.884 1.00 0.00 C ATOM 1375 CD ARG A 88 13.227 1.923 9.445 1.00 0.00 C ATOM 1376 NE ARG A 88 12.865 2.082 10.851 1.00 0.00 N ATOM 1377 CZ ARG A 88 11.704 2.582 11.260 1.00 0.00 C ATOM 1378 NH1 ARG A 88 10.797 2.969 10.373 1.00 0.00 N ATOM 1379 NH2 ARG A 88 11.448 2.694 12.557 1.00 0.00 N ATOM 0 H ARG A 88 14.242 4.364 6.340 1.00 0.00 H new ATOM 0 HA ARG A 88 12.673 6.201 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.138 4.360 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.325 3.727 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.564 2.891 8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.504 3.636 9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.333 1.697 8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.901 1.073 9.338 1.00 0.00 H new ATOM 0 HE ARG A 88 13.541 1.793 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.990 2.883 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.906 3.353 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.143 2.396 13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.556 3.078 12.870 1.00 0.00 H new ATOM 1393 N SER A 89 13.696 6.859 9.925 1.00 0.00 N ATOM 1394 CA SER A 89 14.397 7.482 11.041 1.00 0.00 C ATOM 1395 C SER A 89 13.896 6.932 12.373 1.00 0.00 C ATOM 1396 O SER A 89 12.927 6.176 12.420 1.00 0.00 O ATOM 1397 CB SER A 89 14.213 9.001 11.002 1.00 0.00 C ATOM 1398 OG SER A 89 15.012 9.585 9.988 1.00 0.00 O ATOM 0 H SER A 89 12.699 7.071 9.883 1.00 0.00 H new ATOM 0 HA SER A 89 15.458 7.249 10.947 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.164 9.239 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.478 9.428 11.969 1.00 0.00 H new ATOM 0 HG SER A 89 14.875 10.555 9.982 1.00 0.00 H new ATOM 1404 N GLY A 90 14.565 7.318 13.455 1.00 0.00 N ATOM 1405 CA GLY A 90 14.175 6.855 14.773 1.00 0.00 C ATOM 1406 C GLY A 90 15.334 6.838 15.749 1.00 0.00 C ATOM 1407 O GLY A 90 16.502 6.834 15.359 1.00 0.00 O ATOM 0 H GLY A 90 15.371 7.944 13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.386 7.499 15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.757 5.852 14.693 1.00 0.00 H new ATOM 1411 N PRO A 91 15.016 6.830 17.052 1.00 0.00 N ATOM 1412 CA PRO A 91 16.027 6.814 18.114 1.00 0.00 C ATOM 1413 C PRO A 91 16.772 5.486 18.186 1.00 0.00 C ATOM 1414 O PRO A 91 17.999 5.455 18.269 1.00 0.00 O ATOM 1415 CB PRO A 91 15.208 7.039 19.387 1.00 0.00 C ATOM 1416 CG PRO A 91 13.843 6.543 19.052 1.00 0.00 C ATOM 1417 CD PRO A 91 13.645 6.834 17.590 1.00 0.00 C ATOM 0 HA PRO A 91 16.801 7.564 17.951 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.631 6.494 20.231 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.189 8.093 19.665 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.755 5.475 19.253 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.086 7.044 19.656 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.023 6.078 17.111 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.155 7.795 17.434 1.00 0.00 H new ATOM 1425 N SER A 92 16.021 4.389 18.155 1.00 0.00 N ATOM 1426 CA SER A 92 16.610 3.057 18.221 1.00 0.00 C ATOM 1427 C SER A 92 15.571 1.987 17.899 1.00 0.00 C ATOM 1428 O SER A 92 14.379 2.168 18.149 1.00 0.00 O ATOM 1429 CB SER A 92 17.204 2.807 19.608 1.00 0.00 C ATOM 1430 OG SER A 92 17.830 1.538 19.673 1.00 0.00 O ATOM 0 H SER A 92 15.003 4.397 18.085 1.00 0.00 H new ATOM 0 HA SER A 92 17.406 3.001 17.478 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.929 3.586 19.842 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.417 2.867 20.360 1.00 0.00 H new ATOM 0 HG SER A 92 18.203 1.403 20.569 1.00 0.00 H new ATOM 1436 N SER A 93 16.032 0.871 17.343 1.00 0.00 N ATOM 1437 CA SER A 93 15.144 -0.227 16.983 1.00 0.00 C ATOM 1438 C SER A 93 14.640 -0.949 18.229 1.00 0.00 C ATOM 1439 O SER A 93 13.440 -0.978 18.501 1.00 0.00 O ATOM 1440 CB SER A 93 15.865 -1.215 16.065 1.00 0.00 C ATOM 1441 OG SER A 93 15.860 -0.761 14.722 1.00 0.00 O ATOM 0 H SER A 93 17.016 0.704 17.132 1.00 0.00 H new ATOM 0 HA SER A 93 14.287 0.191 16.454 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.893 -1.347 16.404 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.382 -2.190 16.124 1.00 0.00 H new ATOM 0 HG SER A 93 16.328 -1.409 14.156 1.00 0.00 H new ATOM 1447 N GLY A 94 15.567 -1.531 18.984 1.00 0.00 N ATOM 1448 CA GLY A 94 15.198 -2.245 20.193 1.00 0.00 C ATOM 1449 C GLY A 94 15.695 -1.556 21.448 1.00 0.00 C ATOM 1450 O GLY A 94 15.511 -0.351 21.616 1.00 0.00 O ATOM 0 H GLY A 94 16.566 -1.521 18.780 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.113 -2.339 20.239 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.604 -3.256 20.152 1.00 0.00 H new TER 1454 GLY A 94