USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.075 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00295 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 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0805 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 144:sc= 0.268 USER MOD Single : A 17 ASN : amide:sc= -0.785 X(o=-0.78,f=-0.48) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00776 USER MOD Single : A 33 GLN : amide:sc= -2.36 K(o=-2.4,f=-6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= -1.32 (180deg=-2.78!) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.0679 (180deg=-0.446) USER MOD Single : A 43 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=-0.27) USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= -0.507 (180deg=-2.16!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -16:sc= -0.522 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0193 (180deg=-0.217) USER MOD Single : A 62 ASN : amide:sc= -0.0411 K(o=-0.041,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot -59:sc= 0.008 USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 71 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.321 6.897 2.950 1.00 0.00 N ATOM 2 CA GLY A 1 -13.240 7.611 2.083 1.00 0.00 C ATOM 3 C GLY A 1 -12.522 8.485 1.073 1.00 0.00 C ATOM 4 O GLY A 1 -12.794 9.681 0.974 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.860 6.314 3.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.707 6.285 2.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.737 7.580 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.869 6.894 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.901 8.230 2.690 1.00 0.00 H new ATOM 8 N SER A 2 -11.603 7.887 0.323 1.00 0.00 N ATOM 9 CA SER A 2 -10.840 8.620 -0.681 1.00 0.00 C ATOM 10 C SER A 2 -10.572 10.050 -0.222 1.00 0.00 C ATOM 11 O SER A 2 -10.698 10.997 -0.998 1.00 0.00 O ATOM 12 CB SER A 2 -11.590 8.632 -2.014 1.00 0.00 C ATOM 13 OG SER A 2 -12.912 9.116 -1.850 1.00 0.00 O ATOM 0 H SER A 2 -11.368 6.897 0.391 1.00 0.00 H new ATOM 0 HA SER A 2 -9.884 8.115 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.056 9.257 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.617 7.624 -2.429 1.00 0.00 H new ATOM 0 HG SER A 2 -13.370 9.116 -2.716 1.00 0.00 H new ATOM 19 N SER A 3 -10.202 10.198 1.046 1.00 0.00 N ATOM 20 CA SER A 3 -9.919 11.513 1.612 1.00 0.00 C ATOM 21 C SER A 3 -8.497 11.953 1.278 1.00 0.00 C ATOM 22 O SER A 3 -8.265 13.096 0.886 1.00 0.00 O ATOM 23 CB SER A 3 -10.117 11.492 3.128 1.00 0.00 C ATOM 24 OG SER A 3 -9.289 10.516 3.737 1.00 0.00 O ATOM 0 H SER A 3 -10.091 9.424 1.701 1.00 0.00 H new ATOM 0 HA SER A 3 -10.614 12.228 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.890 12.475 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.162 11.282 3.359 1.00 0.00 H new ATOM 0 HG SER A 3 -9.433 10.524 4.706 1.00 0.00 H new ATOM 30 N GLY A 4 -7.547 11.036 1.438 1.00 0.00 N ATOM 31 CA GLY A 4 -6.160 11.348 1.151 1.00 0.00 C ATOM 32 C GLY A 4 -5.517 12.187 2.237 1.00 0.00 C ATOM 33 O GLY A 4 -6.210 12.824 3.031 1.00 0.00 O ATOM 0 H GLY A 4 -7.714 10.083 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.599 10.421 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.100 11.880 0.202 1.00 0.00 H new ATOM 37 N SER A 5 -4.188 12.188 2.274 1.00 0.00 N ATOM 38 CA SER A 5 -3.451 12.951 3.274 1.00 0.00 C ATOM 39 C SER A 5 -2.077 13.353 2.748 1.00 0.00 C ATOM 40 O SER A 5 -1.501 12.671 1.900 1.00 0.00 O ATOM 41 CB SER A 5 -3.299 12.134 4.559 1.00 0.00 C ATOM 42 OG SER A 5 -2.714 12.910 5.590 1.00 0.00 O ATOM 0 H SER A 5 -3.600 11.669 1.622 1.00 0.00 H new ATOM 0 HA SER A 5 -4.016 13.857 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.275 11.772 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.682 11.257 4.365 1.00 0.00 H new ATOM 0 HG SER A 5 -2.629 12.366 6.401 1.00 0.00 H new ATOM 48 N SER A 6 -1.558 14.466 3.257 1.00 0.00 N ATOM 49 CA SER A 6 -0.253 14.962 2.836 1.00 0.00 C ATOM 50 C SER A 6 0.860 14.025 3.297 1.00 0.00 C ATOM 51 O SER A 6 1.360 14.140 4.415 1.00 0.00 O ATOM 52 CB SER A 6 -0.014 16.367 3.392 1.00 0.00 C ATOM 53 OG SER A 6 -1.102 17.225 3.093 1.00 0.00 O ATOM 0 H SER A 6 -2.021 15.041 3.961 1.00 0.00 H new ATOM 0 HA SER A 6 -0.242 15.003 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.127 16.315 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.904 16.777 2.970 1.00 0.00 H new ATOM 0 HG SER A 6 -0.926 18.116 3.460 1.00 0.00 H new ATOM 59 N GLY A 7 1.242 13.096 2.426 1.00 0.00 N ATOM 60 CA GLY A 7 2.292 12.152 2.761 1.00 0.00 C ATOM 61 C GLY A 7 1.768 10.946 3.514 1.00 0.00 C ATOM 62 O GLY A 7 1.434 11.040 4.695 1.00 0.00 O ATOM 0 H GLY A 7 0.843 12.980 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.783 11.820 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.048 12.653 3.365 1.00 0.00 H new ATOM 66 N SER A 8 1.694 9.809 2.830 1.00 0.00 N ATOM 67 CA SER A 8 1.202 8.579 3.440 1.00 0.00 C ATOM 68 C SER A 8 2.313 7.871 4.209 1.00 0.00 C ATOM 69 O SER A 8 3.494 8.181 4.044 1.00 0.00 O ATOM 70 CB SER A 8 0.632 7.646 2.370 1.00 0.00 C ATOM 71 OG SER A 8 -0.741 7.909 2.142 1.00 0.00 O ATOM 0 H SER A 8 1.969 9.714 1.852 1.00 0.00 H new ATOM 0 HA SER A 8 0.410 8.843 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.188 7.771 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.760 6.609 2.682 1.00 0.00 H new ATOM 0 HG SER A 8 -1.081 7.301 1.453 1.00 0.00 H new ATOM 77 N THR A 9 1.927 6.919 5.052 1.00 0.00 N ATOM 78 CA THR A 9 2.889 6.167 5.848 1.00 0.00 C ATOM 79 C THR A 9 2.845 4.682 5.505 1.00 0.00 C ATOM 80 O THR A 9 3.875 4.009 5.491 1.00 0.00 O ATOM 81 CB THR A 9 2.628 6.342 7.356 1.00 0.00 C ATOM 82 OG1 THR A 9 3.616 5.630 8.110 1.00 0.00 O ATOM 83 CG2 THR A 9 1.241 5.840 7.728 1.00 0.00 C ATOM 0 H THR A 9 0.954 6.650 5.201 1.00 0.00 H new ATOM 0 HA THR A 9 3.876 6.563 5.609 1.00 0.00 H new ATOM 0 HB THR A 9 2.687 7.405 7.591 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.444 5.747 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.080 5.974 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.490 6.403 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.158 4.782 7.479 1.00 0.00 H new ATOM 91 N GLN A 10 1.647 4.178 5.229 1.00 0.00 N ATOM 92 CA GLN A 10 1.470 2.772 4.886 1.00 0.00 C ATOM 93 C GLN A 10 1.700 2.542 3.396 1.00 0.00 C ATOM 94 O GLN A 10 0.900 1.887 2.727 1.00 0.00 O ATOM 95 CB GLN A 10 0.068 2.302 5.276 1.00 0.00 C ATOM 96 CG GLN A 10 -0.152 2.224 6.778 1.00 0.00 C ATOM 97 CD GLN A 10 -1.301 1.308 7.153 1.00 0.00 C ATOM 98 OE1 GLN A 10 -2.060 0.862 6.293 1.00 0.00 O ATOM 99 NE2 GLN A 10 -1.434 1.024 8.443 1.00 0.00 N ATOM 0 H GLN A 10 0.784 4.722 5.236 1.00 0.00 H new ATOM 0 HA GLN A 10 2.207 2.193 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.667 2.981 4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.111 1.319 4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.761 1.870 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.348 3.224 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.781 1.416 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.189 0.413 8.756 1.00 0.00 H new ATOM 108 N THR A 11 2.799 3.086 2.881 1.00 0.00 N ATOM 109 CA THR A 11 3.133 2.941 1.470 1.00 0.00 C ATOM 110 C THR A 11 3.209 1.472 1.070 1.00 0.00 C ATOM 111 O THR A 11 2.389 0.988 0.290 1.00 0.00 O ATOM 112 CB THR A 11 4.475 3.622 1.138 1.00 0.00 C ATOM 113 OG1 THR A 11 5.462 3.259 2.111 1.00 0.00 O ATOM 114 CG2 THR A 11 4.321 5.135 1.105 1.00 0.00 C ATOM 0 H THR A 11 3.472 3.631 3.420 1.00 0.00 H new ATOM 0 HA THR A 11 2.337 3.427 0.906 1.00 0.00 H new ATOM 0 HB THR A 11 4.795 3.284 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.312 3.694 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.281 5.593 0.869 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.591 5.410 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.981 5.487 2.079 1.00 0.00 H new ATOM 122 N ASP A 12 4.198 0.768 1.610 1.00 0.00 N ATOM 123 CA ASP A 12 4.380 -0.648 1.310 1.00 0.00 C ATOM 124 C ASP A 12 3.521 -1.512 2.228 1.00 0.00 C ATOM 125 O ASP A 12 3.037 -2.571 1.828 1.00 0.00 O ATOM 126 CB ASP A 12 5.852 -1.037 1.454 1.00 0.00 C ATOM 127 CG ASP A 12 6.383 -0.787 2.852 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.526 0.395 3.230 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.654 -1.773 3.569 1.00 0.00 O ATOM 0 H ASP A 12 4.885 1.154 2.257 1.00 0.00 H new ATOM 0 HA ASP A 12 4.066 -0.819 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.972 -2.092 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.446 -0.471 0.736 1.00 0.00 H new ATOM 134 N LYS A 13 3.336 -1.053 3.461 1.00 0.00 N ATOM 135 CA LYS A 13 2.535 -1.783 4.437 1.00 0.00 C ATOM 136 C LYS A 13 1.151 -2.099 3.879 1.00 0.00 C ATOM 137 O LYS A 13 0.615 -3.185 4.099 1.00 0.00 O ATOM 138 CB LYS A 13 2.403 -0.972 5.728 1.00 0.00 C ATOM 139 CG LYS A 13 3.734 -0.658 6.388 1.00 0.00 C ATOM 140 CD LYS A 13 3.638 0.565 7.285 1.00 0.00 C ATOM 141 CE LYS A 13 4.663 0.515 8.408 1.00 0.00 C ATOM 142 NZ LYS A 13 6.016 0.925 7.941 1.00 0.00 N ATOM 0 H LYS A 13 3.730 -0.179 3.808 1.00 0.00 H new ATOM 0 HA LYS A 13 3.042 -2.723 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.886 -0.038 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.779 -1.524 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.061 -1.516 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.490 -0.489 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.791 1.466 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.636 0.629 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.345 1.169 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.709 -0.496 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.686 0.878 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.331 0.285 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.978 1.899 7.578 1.00 0.00 H new ATOM 156 N ALA A 14 0.578 -1.143 3.155 1.00 0.00 N ATOM 157 CA ALA A 14 -0.741 -1.321 2.562 1.00 0.00 C ATOM 158 C ALA A 14 -0.776 -2.548 1.656 1.00 0.00 C ATOM 159 O ALA A 14 -1.722 -3.335 1.696 1.00 0.00 O ATOM 160 CB ALA A 14 -1.143 -0.077 1.784 1.00 0.00 C ATOM 0 H ALA A 14 1.007 -0.237 2.965 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.456 -1.478 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.130 -0.225 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.169 0.780 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.418 0.106 0.990 1.00 0.00 H new ATOM 166 N LEU A 15 0.261 -2.704 0.840 1.00 0.00 N ATOM 167 CA LEU A 15 0.349 -3.835 -0.077 1.00 0.00 C ATOM 168 C LEU A 15 0.619 -5.131 0.682 1.00 0.00 C ATOM 169 O LEU A 15 -0.180 -6.067 0.636 1.00 0.00 O ATOM 170 CB LEU A 15 1.452 -3.595 -1.109 1.00 0.00 C ATOM 171 CG LEU A 15 1.462 -2.218 -1.774 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.781 -1.981 -2.492 1.00 0.00 C ATOM 173 CD2 LEU A 15 0.294 -2.085 -2.741 1.00 0.00 C ATOM 0 H LEU A 15 1.052 -2.062 0.795 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.607 -3.930 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.416 -3.749 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.363 -4.352 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 15 1.354 -1.460 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.769 -0.996 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.600 -2.033 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.921 -2.744 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.316 -1.099 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.371 -2.851 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.643 -2.209 -2.199 1.00 0.00 H new ATOM 185 N TYR A 16 1.748 -5.177 1.380 1.00 0.00 N ATOM 186 CA TYR A 16 2.123 -6.358 2.149 1.00 0.00 C ATOM 187 C TYR A 16 0.898 -7.005 2.786 1.00 0.00 C ATOM 188 O TYR A 16 0.697 -8.215 2.683 1.00 0.00 O ATOM 189 CB TYR A 16 3.138 -5.986 3.231 1.00 0.00 C ATOM 190 CG TYR A 16 3.991 -7.149 3.686 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.869 -7.776 2.811 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.918 -7.620 4.991 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.650 -8.839 3.222 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.696 -8.682 5.411 1.00 0.00 C ATOM 195 CZ TYR A 16 5.560 -9.288 4.523 1.00 0.00 C ATOM 196 OH TYR A 16 6.336 -10.346 4.937 1.00 0.00 O ATOM 0 H TYR A 16 2.419 -4.411 1.429 1.00 0.00 H new ATOM 0 HA TYR A 16 2.576 -7.076 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.787 -5.196 2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.607 -5.577 4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.942 -7.426 1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.242 -7.148 5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.327 -9.316 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.628 -9.036 6.429 1.00 0.00 H new ATOM 0 HH TYR A 16 6.616 -10.203 5.865 1.00 0.00 H new ATOM 206 N ASN A 17 0.080 -6.190 3.443 1.00 0.00 N ATOM 207 CA ASN A 17 -1.127 -6.682 4.098 1.00 0.00 C ATOM 208 C ASN A 17 -1.917 -7.596 3.166 1.00 0.00 C ATOM 209 O ASN A 17 -2.287 -8.709 3.539 1.00 0.00 O ATOM 210 CB ASN A 17 -2.003 -5.511 4.545 1.00 0.00 C ATOM 211 CG ASN A 17 -1.497 -4.864 5.820 1.00 0.00 C ATOM 212 OD1 ASN A 17 -1.192 -5.547 6.797 1.00 0.00 O ATOM 213 ND2 ASN A 17 -1.407 -3.539 5.815 1.00 0.00 N ATOM 0 H ASN A 17 0.231 -5.186 3.536 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.827 -7.257 4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.039 -4.764 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.023 -5.862 4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.074 -3.047 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.671 -3.013 4.982 1.00 0.00 H new ATOM 220 N ARG A 18 -2.170 -7.118 1.952 1.00 0.00 N ATOM 221 CA ARG A 18 -2.916 -7.891 0.967 1.00 0.00 C ATOM 222 C ARG A 18 -2.172 -9.174 0.606 1.00 0.00 C ATOM 223 O ARG A 18 -2.598 -10.273 0.964 1.00 0.00 O ATOM 224 CB ARG A 18 -3.156 -7.057 -0.293 1.00 0.00 C ATOM 225 CG ARG A 18 -4.385 -7.482 -1.080 1.00 0.00 C ATOM 226 CD ARG A 18 -4.861 -6.376 -2.010 1.00 0.00 C ATOM 227 NE ARG A 18 -6.124 -6.714 -2.660 1.00 0.00 N ATOM 228 CZ ARG A 18 -7.310 -6.581 -2.076 1.00 0.00 C ATOM 229 NH1 ARG A 18 -7.393 -6.120 -0.836 1.00 0.00 N ATOM 230 NH2 ARG A 18 -8.415 -6.910 -2.734 1.00 0.00 N ATOM 0 H ARG A 18 -1.869 -6.199 1.627 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.877 -8.159 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.260 -6.009 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.280 -7.128 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.155 -8.374 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.186 -7.749 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.981 -5.452 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.101 -6.188 -2.769 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.094 -7.072 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.545 -5.867 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.304 -6.019 -0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.354 -7.265 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.325 -6.808 -2.285 1.00 0.00 H new ATOM 244 N LEU A 19 -1.061 -9.026 -0.106 1.00 0.00 N ATOM 245 CA LEU A 19 -0.257 -10.172 -0.517 1.00 0.00 C ATOM 246 C LEU A 19 -0.294 -11.270 0.542 1.00 0.00 C ATOM 247 O LEU A 19 -0.462 -12.448 0.224 1.00 0.00 O ATOM 248 CB LEU A 19 1.188 -9.742 -0.772 1.00 0.00 C ATOM 249 CG LEU A 19 1.427 -8.900 -2.025 1.00 0.00 C ATOM 250 CD1 LEU A 19 1.024 -7.454 -1.782 1.00 0.00 C ATOM 251 CD2 LEU A 19 2.884 -8.985 -2.455 1.00 0.00 C ATOM 0 H LEU A 19 -0.696 -8.124 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.679 -10.568 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.536 -9.177 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.806 -10.637 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 19 0.808 -9.297 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.201 -6.870 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.034 -7.410 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.615 -7.044 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.036 -8.379 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.522 -8.614 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.139 -10.022 -2.672 1.00 0.00 H new ATOM 263 N VAL A 20 -0.137 -10.876 1.801 1.00 0.00 N ATOM 264 CA VAL A 20 -0.156 -11.826 2.908 1.00 0.00 C ATOM 265 C VAL A 20 -1.443 -11.704 3.715 1.00 0.00 C ATOM 266 O VAL A 20 -1.489 -11.064 4.765 1.00 0.00 O ATOM 267 CB VAL A 20 1.047 -11.617 3.846 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.075 -12.690 4.925 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.346 -11.612 3.055 1.00 0.00 C ATOM 0 H VAL A 20 0.005 -9.905 2.081 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.098 -12.823 2.471 1.00 0.00 H new ATOM 0 HB VAL A 20 0.941 -10.647 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.932 -12.526 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.157 -12.641 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.156 -13.672 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.185 -11.463 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.462 -12.565 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.324 -10.804 2.324 1.00 0.00 H new ATOM 279 N PRO A 21 -2.517 -12.334 3.214 1.00 0.00 N ATOM 280 CA PRO A 21 -3.826 -12.313 3.874 1.00 0.00 C ATOM 281 C PRO A 21 -3.836 -13.117 5.169 1.00 0.00 C ATOM 282 O PRO A 21 -2.962 -13.954 5.399 1.00 0.00 O ATOM 283 CB PRO A 21 -4.754 -12.954 2.839 1.00 0.00 C ATOM 284 CG PRO A 21 -3.864 -13.818 2.015 1.00 0.00 C ATOM 285 CD PRO A 21 -2.535 -13.117 1.967 1.00 0.00 C ATOM 0 HA PRO A 21 -4.120 -11.304 4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.539 -13.538 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.248 -12.198 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.766 -14.810 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.270 -13.953 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.708 -13.826 1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.450 -12.477 1.089 1.00 0.00 H new ATOM 293 N LEU A 22 -4.829 -12.858 6.013 1.00 0.00 N ATOM 294 CA LEU A 22 -4.953 -13.559 7.286 1.00 0.00 C ATOM 295 C LEU A 22 -6.321 -14.222 7.412 1.00 0.00 C ATOM 296 O LEU A 22 -7.308 -13.572 7.755 1.00 0.00 O ATOM 297 CB LEU A 22 -4.735 -12.588 8.448 1.00 0.00 C ATOM 298 CG LEU A 22 -4.245 -13.208 9.757 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.164 -14.243 9.487 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.729 -12.129 10.698 1.00 0.00 C ATOM 0 H LEU A 22 -5.560 -12.168 5.839 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.189 -14.336 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.014 -11.833 8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.674 -12.070 8.644 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.086 -13.709 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.828 -14.673 10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.566 -15.032 8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.322 -13.767 8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.384 -12.589 11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.901 -11.600 10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.531 -11.425 10.919 1.00 0.00 H new ATOM 312 N VAL A 23 -6.371 -15.521 7.134 1.00 0.00 N ATOM 313 CA VAL A 23 -7.617 -16.273 7.220 1.00 0.00 C ATOM 314 C VAL A 23 -7.529 -17.364 8.281 1.00 0.00 C ATOM 315 O VAL A 23 -8.519 -17.689 8.935 1.00 0.00 O ATOM 316 CB VAL A 23 -7.979 -16.915 5.867 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.125 -15.850 4.792 1.00 0.00 C ATOM 318 CG2 VAL A 23 -6.932 -17.945 5.470 1.00 0.00 C ATOM 0 H VAL A 23 -5.563 -16.074 6.847 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.397 -15.563 7.497 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.937 -17.425 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.381 -16.323 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.914 -15.153 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.185 -15.309 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.203 -18.389 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.959 -17.460 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.882 -18.725 6.230 1.00 0.00 H new ATOM 328 N ASN A 24 -6.336 -17.926 8.446 1.00 0.00 N ATOM 329 CA ASN A 24 -6.118 -18.982 9.428 1.00 0.00 C ATOM 330 C ASN A 24 -5.480 -18.421 10.696 1.00 0.00 C ATOM 331 O ASN A 24 -4.681 -19.091 11.349 1.00 0.00 O ATOM 332 CB ASN A 24 -5.230 -20.079 8.839 1.00 0.00 C ATOM 333 CG ASN A 24 -5.507 -21.438 9.453 1.00 0.00 C ATOM 334 OD1 ASN A 24 -5.045 -21.741 10.553 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.265 -22.265 8.741 1.00 0.00 N ATOM 0 H ASN A 24 -5.506 -17.668 7.913 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.087 -19.409 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.388 -20.131 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.183 -19.819 8.996 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.485 -23.193 9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.627 -21.972 7.834 1.00 0.00 H new ATOM 342 N GLY A 25 -5.840 -17.188 11.038 1.00 0.00 N ATOM 343 CA GLY A 25 -5.294 -16.559 12.226 1.00 0.00 C ATOM 344 C GLY A 25 -3.781 -16.638 12.281 1.00 0.00 C ATOM 345 O GLY A 25 -3.189 -16.597 13.360 1.00 0.00 O ATOM 0 H GLY A 25 -6.500 -16.614 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.601 -15.514 12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.712 -17.038 13.112 1.00 0.00 H new ATOM 349 N VAL A 26 -3.153 -16.754 11.115 1.00 0.00 N ATOM 350 CA VAL A 26 -1.700 -16.840 11.035 1.00 0.00 C ATOM 351 C VAL A 26 -1.195 -16.361 9.678 1.00 0.00 C ATOM 352 O VAL A 26 -1.553 -16.917 8.640 1.00 0.00 O ATOM 353 CB VAL A 26 -1.209 -18.280 11.274 1.00 0.00 C ATOM 354 CG1 VAL A 26 0.307 -18.351 11.175 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.687 -18.788 12.626 1.00 0.00 C ATOM 0 H VAL A 26 -3.628 -16.791 10.213 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.301 -16.194 11.817 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.630 -18.922 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.635 -19.376 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.622 -18.031 10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.752 -17.697 11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.331 -19.807 12.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.296 -18.145 13.415 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.777 -18.776 12.655 1.00 0.00 H new ATOM 365 N ARG A 27 -0.362 -15.326 9.695 1.00 0.00 N ATOM 366 CA ARG A 27 0.192 -14.772 8.465 1.00 0.00 C ATOM 367 C ARG A 27 1.322 -15.649 7.934 1.00 0.00 C ATOM 368 O ARG A 27 2.333 -15.850 8.606 1.00 0.00 O ATOM 369 CB ARG A 27 0.706 -13.352 8.707 1.00 0.00 C ATOM 370 CG ARG A 27 -0.390 -12.298 8.696 1.00 0.00 C ATOM 371 CD ARG A 27 0.165 -10.922 8.362 1.00 0.00 C ATOM 372 NE ARG A 27 -0.624 -9.852 8.968 1.00 0.00 N ATOM 373 CZ ARG A 27 -0.321 -8.563 8.857 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.746 -8.186 8.167 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.088 -7.649 9.437 1.00 0.00 N ATOM 0 H ARG A 27 -0.056 -14.854 10.546 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.603 -14.742 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.220 -13.319 9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.443 -13.106 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.152 -12.571 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.878 -12.268 9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.196 -10.853 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.183 -10.791 7.280 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.452 -10.108 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.337 -8.886 7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.976 -7.196 8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.910 -7.936 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.855 -6.660 9.352 1.00 0.00 H new ATOM 389 N GLU A 28 1.141 -16.169 6.724 1.00 0.00 N ATOM 390 CA GLU A 28 2.145 -17.026 6.104 1.00 0.00 C ATOM 391 C GLU A 28 2.065 -16.945 4.582 1.00 0.00 C ATOM 392 O GLU A 28 0.981 -16.818 4.012 1.00 0.00 O ATOM 393 CB GLU A 28 1.963 -18.475 6.559 1.00 0.00 C ATOM 394 CG GLU A 28 2.196 -18.680 8.046 1.00 0.00 C ATOM 395 CD GLU A 28 1.924 -20.105 8.489 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.737 -20.483 8.573 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.898 -20.841 8.751 1.00 0.00 O ATOM 0 H GLU A 28 0.310 -16.012 6.154 1.00 0.00 H new ATOM 0 HA GLU A 28 3.128 -16.675 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.953 -18.801 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.650 -19.111 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.226 -18.419 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.555 -18.000 8.607 1.00 0.00 H new ATOM 404 N PHE A 29 3.220 -17.019 3.929 1.00 0.00 N ATOM 405 CA PHE A 29 3.282 -16.953 2.474 1.00 0.00 C ATOM 406 C PHE A 29 2.687 -18.211 1.847 1.00 0.00 C ATOM 407 O PHE A 29 2.722 -19.289 2.439 1.00 0.00 O ATOM 408 CB PHE A 29 4.729 -16.774 2.011 1.00 0.00 C ATOM 409 CG PHE A 29 5.332 -15.461 2.422 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.726 -14.266 2.072 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.505 -15.423 3.159 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.278 -13.056 2.449 1.00 0.00 C ATOM 413 CE2 PHE A 29 7.061 -14.216 3.539 1.00 0.00 C ATOM 414 CZ PHE A 29 6.447 -13.031 3.183 1.00 0.00 C ATOM 0 H PHE A 29 4.126 -17.125 4.385 1.00 0.00 H new ATOM 0 HA PHE A 29 2.696 -16.094 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.334 -17.585 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.768 -16.858 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.811 -14.280 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.990 -16.346 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.795 -12.131 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.975 -14.199 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.881 -12.087 3.478 1.00 0.00 H new ATOM 424 N SER A 30 2.141 -18.064 0.644 1.00 0.00 N ATOM 425 CA SER A 30 1.534 -19.186 -0.063 1.00 0.00 C ATOM 426 C SER A 30 2.513 -19.788 -1.066 1.00 0.00 C ATOM 427 O SER A 30 3.405 -19.104 -1.566 1.00 0.00 O ATOM 428 CB SER A 30 0.261 -18.735 -0.782 1.00 0.00 C ATOM 429 OG SER A 30 -0.260 -19.772 -1.595 1.00 0.00 O ATOM 0 H SER A 30 2.107 -17.179 0.138 1.00 0.00 H new ATOM 0 HA SER A 30 1.276 -19.950 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.487 -18.433 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.477 -17.861 -1.396 1.00 0.00 H new ATOM 0 HG SER A 30 -1.074 -19.459 -2.042 1.00 0.00 H new ATOM 435 N GLU A 31 2.337 -21.074 -1.356 1.00 0.00 N ATOM 436 CA GLU A 31 3.205 -21.769 -2.299 1.00 0.00 C ATOM 437 C GLU A 31 3.625 -20.843 -3.437 1.00 0.00 C ATOM 438 O GLU A 31 4.720 -20.972 -3.983 1.00 0.00 O ATOM 439 CB GLU A 31 2.496 -23.002 -2.865 1.00 0.00 C ATOM 440 CG GLU A 31 1.177 -22.684 -3.549 1.00 0.00 C ATOM 441 CD GLU A 31 0.528 -23.910 -4.163 1.00 0.00 C ATOM 442 OE1 GLU A 31 -0.131 -24.667 -3.421 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.681 -24.112 -5.386 1.00 0.00 O ATOM 0 H GLU A 31 1.602 -21.654 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 31 4.100 -22.087 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.156 -23.495 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.315 -23.710 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.494 -22.240 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.345 -21.939 -4.326 1.00 0.00 H new ATOM 450 N ILE A 32 2.745 -19.911 -3.788 1.00 0.00 N ATOM 451 CA ILE A 32 3.025 -18.963 -4.860 1.00 0.00 C ATOM 452 C ILE A 32 4.070 -17.940 -4.430 1.00 0.00 C ATOM 453 O ILE A 32 5.177 -17.907 -4.966 1.00 0.00 O ATOM 454 CB ILE A 32 1.749 -18.222 -5.303 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.709 -19.217 -5.821 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.080 -17.189 -6.369 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.718 -18.747 -5.645 1.00 0.00 C ATOM 0 H ILE A 32 1.833 -19.792 -3.346 1.00 0.00 H new ATOM 0 HA ILE A 32 3.410 -19.541 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 32 1.329 -17.704 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.893 -19.405 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.837 -20.167 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.168 -16.674 -6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.789 -16.466 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.520 -17.686 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.401 -19.502 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.920 -18.587 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.863 -17.813 -6.188 1.00 0.00 H new ATOM 469 N GLN A 33 3.711 -17.107 -3.458 1.00 0.00 N ATOM 470 CA GLN A 33 4.620 -16.084 -2.955 1.00 0.00 C ATOM 471 C GLN A 33 6.031 -16.639 -2.796 1.00 0.00 C ATOM 472 O GLN A 33 7.004 -16.029 -3.243 1.00 0.00 O ATOM 473 CB GLN A 33 4.119 -15.540 -1.616 1.00 0.00 C ATOM 474 CG GLN A 33 2.715 -14.961 -1.682 1.00 0.00 C ATOM 475 CD GLN A 33 2.315 -14.254 -0.401 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.836 -14.882 0.544 1.00 0.00 O ATOM 477 NE2 GLN A 33 2.510 -12.941 -0.363 1.00 0.00 N ATOM 0 H GLN A 33 2.798 -17.121 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 33 4.649 -15.272 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.138 -16.341 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.805 -14.768 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.654 -14.260 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.005 -15.762 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.910 -12.461 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.260 -12.412 0.473 1.00 0.00 H new ATOM 486 N LEU A 34 6.137 -17.798 -2.157 1.00 0.00 N ATOM 487 CA LEU A 34 7.430 -18.437 -1.938 1.00 0.00 C ATOM 488 C LEU A 34 8.178 -18.617 -3.256 1.00 0.00 C ATOM 489 O LEU A 34 9.245 -18.037 -3.460 1.00 0.00 O ATOM 490 CB LEU A 34 7.243 -19.792 -1.255 1.00 0.00 C ATOM 491 CG LEU A 34 6.341 -19.803 -0.021 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.630 -21.141 0.109 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.148 -19.503 1.233 1.00 0.00 C ATOM 0 H LEU A 34 5.342 -18.315 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 34 8.022 -17.790 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.835 -20.491 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.224 -20.169 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 34 5.588 -19.024 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.993 -21.130 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.019 -21.316 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.368 -21.938 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.489 -19.515 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.924 -20.259 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.610 -18.520 1.142 1.00 0.00 H new ATOM 505 N SER A 35 7.610 -19.423 -4.147 1.00 0.00 N ATOM 506 CA SER A 35 8.224 -19.681 -5.444 1.00 0.00 C ATOM 507 C SER A 35 8.858 -18.413 -6.007 1.00 0.00 C ATOM 508 O SER A 35 9.958 -18.447 -6.558 1.00 0.00 O ATOM 509 CB SER A 35 7.183 -20.224 -6.426 1.00 0.00 C ATOM 510 OG SER A 35 7.802 -20.929 -7.487 1.00 0.00 O ATOM 0 H SER A 35 6.726 -19.908 -3.995 1.00 0.00 H new ATOM 0 HA SER A 35 9.007 -20.427 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.493 -20.884 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.593 -19.400 -6.828 1.00 0.00 H new ATOM 0 HG SER A 35 7.116 -21.267 -8.099 1.00 0.00 H new ATOM 516 N ARG A 36 8.154 -17.294 -5.865 1.00 0.00 N ATOM 517 CA ARG A 36 8.646 -16.014 -6.360 1.00 0.00 C ATOM 518 C ARG A 36 9.800 -15.506 -5.500 1.00 0.00 C ATOM 519 O ARG A 36 10.935 -15.399 -5.966 1.00 0.00 O ATOM 520 CB ARG A 36 7.517 -14.982 -6.379 1.00 0.00 C ATOM 521 CG ARG A 36 6.487 -15.227 -7.469 1.00 0.00 C ATOM 522 CD ARG A 36 5.528 -16.345 -7.089 1.00 0.00 C ATOM 523 NE ARG A 36 4.557 -16.616 -8.146 1.00 0.00 N ATOM 524 CZ ARG A 36 4.825 -17.350 -9.219 1.00 0.00 C ATOM 525 NH1 ARG A 36 6.028 -17.885 -9.378 1.00 0.00 N ATOM 526 NH2 ARG A 36 3.888 -17.552 -10.137 1.00 0.00 N ATOM 0 H ARG A 36 7.242 -17.248 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 36 9.011 -16.162 -7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.017 -14.985 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.946 -13.989 -6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.925 -14.311 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.994 -15.482 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.094 -17.252 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.001 -16.075 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 36 3.622 -16.219 -8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.751 -17.733 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.230 -18.449 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.961 -17.143 -10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.095 -18.116 -10.961 1.00 0.00 H new ATOM 540 N LEU A 37 9.502 -15.193 -4.244 1.00 0.00 N ATOM 541 CA LEU A 37 10.514 -14.695 -3.319 1.00 0.00 C ATOM 542 C LEU A 37 11.825 -15.456 -3.486 1.00 0.00 C ATOM 543 O LEU A 37 12.908 -14.883 -3.359 1.00 0.00 O ATOM 544 CB LEU A 37 10.019 -14.819 -1.877 1.00 0.00 C ATOM 545 CG LEU A 37 9.018 -13.758 -1.417 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.399 -14.150 -0.085 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.692 -12.398 -1.315 1.00 0.00 C ATOM 0 H LEU A 37 8.568 -15.275 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 37 10.694 -13.644 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.560 -15.800 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.883 -14.786 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 37 8.222 -13.692 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.690 -13.383 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.880 -15.103 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.183 -14.246 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.965 -11.655 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.509 -12.450 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.086 -12.113 -2.291 1.00 0.00 H new ATOM 559 N LYS A 38 11.721 -16.749 -3.772 1.00 0.00 N ATOM 560 CA LYS A 38 12.898 -17.589 -3.960 1.00 0.00 C ATOM 561 C LYS A 38 13.852 -16.969 -4.977 1.00 0.00 C ATOM 562 O LYS A 38 15.064 -16.933 -4.765 1.00 0.00 O ATOM 563 CB LYS A 38 12.483 -18.988 -4.420 1.00 0.00 C ATOM 564 CG LYS A 38 11.664 -19.749 -3.392 1.00 0.00 C ATOM 565 CD LYS A 38 12.551 -20.560 -2.463 1.00 0.00 C ATOM 566 CE LYS A 38 12.956 -21.884 -3.093 1.00 0.00 C ATOM 567 NZ LYS A 38 14.071 -21.716 -4.066 1.00 0.00 N ATOM 0 H LYS A 38 10.833 -17.239 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 38 13.415 -17.667 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.906 -18.902 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.378 -19.563 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.069 -19.047 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.965 -20.413 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.444 -19.985 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.024 -20.747 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.258 -22.581 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.096 -22.324 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.655 -22.577 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.681 -21.550 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.657 -20.904 -3.786 1.00 0.00 H new ATOM 581 N LYS A 39 13.296 -16.482 -6.082 1.00 0.00 N ATOM 582 CA LYS A 39 14.096 -15.862 -7.131 1.00 0.00 C ATOM 583 C LYS A 39 14.985 -14.762 -6.559 1.00 0.00 C ATOM 584 O LYS A 39 16.148 -14.627 -6.943 1.00 0.00 O ATOM 585 CB LYS A 39 13.188 -15.283 -8.218 1.00 0.00 C ATOM 586 CG LYS A 39 12.737 -16.309 -9.243 1.00 0.00 C ATOM 587 CD LYS A 39 11.707 -17.264 -8.661 1.00 0.00 C ATOM 588 CE LYS A 39 11.031 -18.085 -9.748 1.00 0.00 C ATOM 589 NZ LYS A 39 10.241 -17.231 -10.678 1.00 0.00 N ATOM 0 H LYS A 39 12.294 -16.505 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 39 14.734 -16.630 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.310 -14.840 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.715 -14.478 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.313 -15.799 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.599 -16.874 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.190 -17.931 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.955 -16.699 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.786 -18.633 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.375 -18.825 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.270 -17.597 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.220 -16.255 -10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.681 -17.244 -11.620 1.00 0.00 H new ATOM 603 N LEU A 40 14.433 -13.980 -5.638 1.00 0.00 N ATOM 604 CA LEU A 40 15.177 -12.893 -5.011 1.00 0.00 C ATOM 605 C LEU A 40 16.227 -13.437 -4.047 1.00 0.00 C ATOM 606 O LEU A 40 17.197 -12.755 -3.721 1.00 0.00 O ATOM 607 CB LEU A 40 14.222 -11.957 -4.268 1.00 0.00 C ATOM 608 CG LEU A 40 13.104 -11.336 -5.107 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.922 -10.961 -4.226 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.616 -10.118 -5.861 1.00 0.00 C ATOM 0 H LEU A 40 13.473 -14.078 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 40 15.686 -12.334 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.768 -12.511 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.807 -11.151 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 40 12.769 -12.075 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.136 -10.521 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.539 -11.854 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.243 -10.239 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.807 -9.690 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.978 -9.376 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.430 -10.415 -6.522 1.00 0.00 H new ATOM 622 N GLY A 41 16.026 -14.671 -3.596 1.00 0.00 N ATOM 623 CA GLY A 41 16.964 -15.286 -2.676 1.00 0.00 C ATOM 624 C GLY A 41 16.553 -15.114 -1.227 1.00 0.00 C ATOM 625 O GLY A 41 17.372 -15.263 -0.320 1.00 0.00 O ATOM 0 H GLY A 41 15.230 -15.256 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.047 -16.349 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.952 -14.850 -2.824 1.00 0.00 H new ATOM 629 N ILE A 42 15.281 -14.797 -1.008 1.00 0.00 N ATOM 630 CA ILE A 42 14.763 -14.604 0.341 1.00 0.00 C ATOM 631 C ILE A 42 14.252 -15.915 0.927 1.00 0.00 C ATOM 632 O ILE A 42 13.093 -16.284 0.735 1.00 0.00 O ATOM 633 CB ILE A 42 13.625 -13.566 0.363 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.097 -12.246 -0.251 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.135 -13.349 1.787 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.967 -11.295 -0.578 1.00 0.00 C ATOM 0 H ILE A 42 14.590 -14.668 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 42 15.591 -14.237 0.948 1.00 0.00 H new ATOM 0 HB ILE A 42 12.795 -13.945 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.784 -11.758 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.658 -12.458 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.331 -12.613 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.765 -14.291 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.958 -12.987 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.374 -10.381 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.292 -11.765 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.419 -11.054 0.333 1.00 0.00 H new ATOM 648 N HIS A 43 15.124 -16.616 1.644 1.00 0.00 N ATOM 649 CA HIS A 43 14.761 -17.887 2.262 1.00 0.00 C ATOM 650 C HIS A 43 14.059 -17.661 3.597 1.00 0.00 C ATOM 651 O HIS A 43 14.399 -18.285 4.603 1.00 0.00 O ATOM 652 CB HIS A 43 16.004 -18.753 2.465 1.00 0.00 C ATOM 653 CG HIS A 43 16.459 -19.450 1.220 1.00 0.00 C ATOM 654 ND1 HIS A 43 15.593 -20.080 0.351 1.00 0.00 N ATOM 655 CD2 HIS A 43 17.697 -19.612 0.698 1.00 0.00 C ATOM 656 CE1 HIS A 43 16.280 -20.601 -0.651 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.559 -20.330 -0.464 1.00 0.00 N ATOM 0 H HIS A 43 16.087 -16.326 1.812 1.00 0.00 H new ATOM 0 HA HIS A 43 14.073 -18.405 1.594 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.815 -18.128 2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 43 15.796 -19.498 3.233 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.622 -19.245 1.118 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.866 -21.154 -1.481 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.321 -20.609 -1.082 1.00 0.00 H new ATOM 666 N LYS A 44 13.080 -16.763 3.601 1.00 0.00 N ATOM 667 CA LYS A 44 12.330 -16.453 4.813 1.00 0.00 C ATOM 668 C LYS A 44 10.855 -16.805 4.644 1.00 0.00 C ATOM 669 O LYS A 44 10.123 -16.131 3.919 1.00 0.00 O ATOM 670 CB LYS A 44 12.474 -14.971 5.162 1.00 0.00 C ATOM 671 CG LYS A 44 13.768 -14.640 5.886 1.00 0.00 C ATOM 672 CD LYS A 44 13.878 -13.153 6.180 1.00 0.00 C ATOM 673 CE LYS A 44 14.337 -12.375 4.956 1.00 0.00 C ATOM 674 NZ LYS A 44 14.820 -11.013 5.314 1.00 0.00 N ATOM 0 H LYS A 44 12.787 -16.237 2.778 1.00 0.00 H new ATOM 0 HA LYS A 44 12.739 -17.053 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.420 -14.383 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.632 -14.669 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.818 -15.201 6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.617 -14.956 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.911 -12.774 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.580 -12.994 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.135 -12.923 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.513 -12.293 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.287 -10.302 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.679 -10.851 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.832 -10.933 5.088 1.00 0.00 H new ATOM 688 N THR A 45 10.423 -17.866 5.321 1.00 0.00 N ATOM 689 CA THR A 45 9.036 -18.307 5.246 1.00 0.00 C ATOM 690 C THR A 45 8.120 -17.378 6.035 1.00 0.00 C ATOM 691 O THR A 45 7.068 -16.966 5.546 1.00 0.00 O ATOM 692 CB THR A 45 8.874 -19.743 5.779 1.00 0.00 C ATOM 693 OG1 THR A 45 9.753 -20.628 5.076 1.00 0.00 O ATOM 694 CG2 THR A 45 7.437 -20.218 5.625 1.00 0.00 C ATOM 0 H THR A 45 11.014 -18.435 5.927 1.00 0.00 H new ATOM 0 HA THR A 45 8.753 -18.284 4.194 1.00 0.00 H new ATOM 0 HB THR A 45 9.129 -19.745 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.645 -21.539 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.347 -21.234 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.774 -19.559 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.159 -20.201 4.571 1.00 0.00 H new ATOM 702 N ASP A 46 8.528 -17.050 7.256 1.00 0.00 N ATOM 703 CA ASP A 46 7.744 -16.167 8.112 1.00 0.00 C ATOM 704 C ASP A 46 7.797 -14.730 7.605 1.00 0.00 C ATOM 705 O ASP A 46 8.845 -14.228 7.197 1.00 0.00 O ATOM 706 CB ASP A 46 8.256 -16.232 9.552 1.00 0.00 C ATOM 707 CG ASP A 46 7.233 -15.734 10.554 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.975 -14.512 10.579 1.00 0.00 O ATOM 709 OD2 ASP A 46 6.691 -16.565 11.312 1.00 0.00 O ATOM 0 H ASP A 46 9.397 -17.382 7.675 1.00 0.00 H new ATOM 0 HA ASP A 46 6.708 -16.504 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.525 -17.261 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.165 -15.636 9.639 1.00 0.00 H new ATOM 714 N PRO A 47 6.641 -14.051 7.628 1.00 0.00 N ATOM 715 CA PRO A 47 6.530 -12.662 7.173 1.00 0.00 C ATOM 716 C PRO A 47 7.235 -11.686 8.109 1.00 0.00 C ATOM 717 O PRO A 47 7.441 -10.522 7.768 1.00 0.00 O ATOM 718 CB PRO A 47 5.020 -12.408 7.174 1.00 0.00 C ATOM 719 CG PRO A 47 4.476 -13.367 8.175 1.00 0.00 C ATOM 720 CD PRO A 47 5.353 -14.586 8.101 1.00 0.00 C ATOM 0 HA PRO A 47 7.001 -12.513 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.792 -11.378 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.589 -12.578 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.491 -12.936 9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.439 -13.618 7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.451 -15.070 9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.950 -15.330 7.414 1.00 0.00 H new ATOM 728 N SER A 48 7.602 -12.170 9.292 1.00 0.00 N ATOM 729 CA SER A 48 8.281 -11.339 10.279 1.00 0.00 C ATOM 730 C SER A 48 9.773 -11.244 9.975 1.00 0.00 C ATOM 731 O SER A 48 10.350 -10.156 9.969 1.00 0.00 O ATOM 732 CB SER A 48 8.071 -11.906 11.685 1.00 0.00 C ATOM 733 OG SER A 48 8.078 -10.874 12.657 1.00 0.00 O ATOM 0 H SER A 48 7.441 -13.132 9.589 1.00 0.00 H new ATOM 0 HA SER A 48 7.853 -10.338 10.231 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.123 -12.443 11.726 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.856 -12.628 11.911 1.00 0.00 H new ATOM 0 HG SER A 48 7.940 -11.262 13.547 1.00 0.00 H new ATOM 739 N THR A 49 10.394 -12.392 9.722 1.00 0.00 N ATOM 740 CA THR A 49 11.818 -12.440 9.419 1.00 0.00 C ATOM 741 C THR A 49 12.182 -11.439 8.328 1.00 0.00 C ATOM 742 O THR A 49 13.237 -10.806 8.379 1.00 0.00 O ATOM 743 CB THR A 49 12.250 -13.850 8.971 1.00 0.00 C ATOM 744 OG1 THR A 49 11.330 -14.358 7.998 1.00 0.00 O ATOM 745 CG2 THR A 49 12.316 -14.798 10.159 1.00 0.00 C ATOM 0 H THR A 49 9.932 -13.301 9.721 1.00 0.00 H new ATOM 0 HA THR A 49 12.345 -12.181 10.337 1.00 0.00 H new ATOM 0 HB THR A 49 13.243 -13.779 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.507 -13.827 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.623 -15.787 9.819 1.00 0.00 H new ATOM 0 HG22 THR A 49 13.039 -14.423 10.884 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.334 -14.864 10.627 1.00 0.00 H new ATOM 753 N LEU A 50 11.303 -11.301 7.342 1.00 0.00 N ATOM 754 CA LEU A 50 11.531 -10.375 6.237 1.00 0.00 C ATOM 755 C LEU A 50 11.826 -8.971 6.756 1.00 0.00 C ATOM 756 O LEU A 50 11.223 -8.517 7.729 1.00 0.00 O ATOM 757 CB LEU A 50 10.314 -10.344 5.312 1.00 0.00 C ATOM 758 CG LEU A 50 10.315 -11.358 4.167 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.825 -12.713 4.654 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.456 -10.861 3.014 1.00 0.00 C ATOM 0 H LEU A 50 10.426 -11.818 7.284 1.00 0.00 H new ATOM 0 HA LEU A 50 12.397 -10.724 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.420 -10.507 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.232 -9.344 4.885 1.00 0.00 H new ATOM 0 HG LEU A 50 11.338 -11.472 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.832 -13.422 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.481 -13.074 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.810 -12.616 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.468 -11.595 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.432 -10.718 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.851 -9.914 2.648 1.00 0.00 H new ATOM 772 N THR A 51 12.756 -8.286 6.098 1.00 0.00 N ATOM 773 CA THR A 51 13.130 -6.934 6.491 1.00 0.00 C ATOM 774 C THR A 51 12.476 -5.897 5.585 1.00 0.00 C ATOM 775 O THR A 51 12.262 -6.143 4.399 1.00 0.00 O ATOM 776 CB THR A 51 14.658 -6.740 6.454 1.00 0.00 C ATOM 777 OG1 THR A 51 15.011 -5.506 7.089 1.00 0.00 O ATOM 778 CG2 THR A 51 15.169 -6.743 5.021 1.00 0.00 C ATOM 0 H THR A 51 13.264 -8.646 5.290 1.00 0.00 H new ATOM 0 HA THR A 51 12.778 -6.794 7.513 1.00 0.00 H new ATOM 0 HB THR A 51 15.120 -7.569 6.990 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.984 -5.391 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 51 16.250 -6.605 5.020 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.925 -7.695 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.699 -5.932 4.465 1.00 0.00 H new ATOM 786 N GLU A 52 12.161 -4.736 6.152 1.00 0.00 N ATOM 787 CA GLU A 52 11.531 -3.662 5.393 1.00 0.00 C ATOM 788 C GLU A 52 12.055 -3.628 3.961 1.00 0.00 C ATOM 789 O GLU A 52 11.309 -3.348 3.023 1.00 0.00 O ATOM 790 CB GLU A 52 11.781 -2.314 6.072 1.00 0.00 C ATOM 791 CG GLU A 52 13.254 -1.969 6.216 1.00 0.00 C ATOM 792 CD GLU A 52 13.476 -0.537 6.662 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.673 0.337 6.276 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.455 -0.291 7.398 1.00 0.00 O ATOM 0 H GLU A 52 12.332 -4.516 7.133 1.00 0.00 H new ATOM 0 HA GLU A 52 10.458 -3.853 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.287 -1.530 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.320 -2.323 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.713 -2.646 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.756 -2.131 5.262 1.00 0.00 H new ATOM 801 N GLU A 53 13.343 -3.915 3.801 1.00 0.00 N ATOM 802 CA GLU A 53 13.967 -3.915 2.483 1.00 0.00 C ATOM 803 C GLU A 53 13.305 -4.941 1.568 1.00 0.00 C ATOM 804 O GLU A 53 12.763 -4.594 0.519 1.00 0.00 O ATOM 805 CB GLU A 53 15.463 -4.213 2.603 1.00 0.00 C ATOM 806 CG GLU A 53 16.262 -3.823 1.370 1.00 0.00 C ATOM 807 CD GLU A 53 17.759 -3.909 1.594 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.319 -2.982 2.216 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.371 -4.901 1.147 1.00 0.00 O ATOM 0 H GLU A 53 13.974 -4.150 4.567 1.00 0.00 H new ATOM 0 HA GLU A 53 13.835 -2.925 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.862 -3.682 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.599 -5.278 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.984 -4.474 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.000 -2.806 1.078 1.00 0.00 H new ATOM 816 N GLU A 54 13.354 -6.206 1.973 1.00 0.00 N ATOM 817 CA GLU A 54 12.760 -7.283 1.189 1.00 0.00 C ATOM 818 C GLU A 54 11.271 -7.036 0.966 1.00 0.00 C ATOM 819 O GLU A 54 10.751 -7.255 -0.128 1.00 0.00 O ATOM 820 CB GLU A 54 12.966 -8.628 1.890 1.00 0.00 C ATOM 821 CG GLU A 54 14.406 -9.113 1.865 1.00 0.00 C ATOM 822 CD GLU A 54 15.406 -7.974 1.855 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.365 -7.158 0.910 1.00 0.00 O ATOM 824 OE2 GLU A 54 16.229 -7.897 2.791 1.00 0.00 O ATOM 0 H GLU A 54 13.799 -6.510 2.839 1.00 0.00 H new ATOM 0 HA GLU A 54 13.256 -7.308 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.638 -8.542 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.331 -9.376 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.588 -9.743 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.561 -9.735 0.983 1.00 0.00 H new ATOM 831 N VAL A 55 10.590 -6.579 2.012 1.00 0.00 N ATOM 832 CA VAL A 55 9.161 -6.301 1.931 1.00 0.00 C ATOM 833 C VAL A 55 8.845 -5.381 0.758 1.00 0.00 C ATOM 834 O VAL A 55 8.039 -5.718 -0.110 1.00 0.00 O ATOM 835 CB VAL A 55 8.640 -5.657 3.230 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.163 -5.317 3.102 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.884 -6.577 4.416 1.00 0.00 C ATOM 0 H VAL A 55 11.005 -6.393 2.925 1.00 0.00 H new ATOM 0 HA VAL A 55 8.661 -7.258 1.783 1.00 0.00 H new ATOM 0 HB VAL A 55 9.188 -4.730 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.812 -4.863 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.021 -4.617 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.596 -6.227 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.510 -6.106 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.364 -7.522 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.953 -6.764 4.518 1.00 0.00 H new ATOM 847 N ARG A 56 9.486 -4.217 0.737 1.00 0.00 N ATOM 848 CA ARG A 56 9.273 -3.247 -0.331 1.00 0.00 C ATOM 849 C ARG A 56 9.513 -3.881 -1.698 1.00 0.00 C ATOM 850 O ARG A 56 8.757 -3.652 -2.642 1.00 0.00 O ATOM 851 CB ARG A 56 10.198 -2.042 -0.146 1.00 0.00 C ATOM 852 CG ARG A 56 9.749 -1.092 0.953 1.00 0.00 C ATOM 853 CD ARG A 56 10.647 0.132 1.031 1.00 0.00 C ATOM 854 NE ARG A 56 10.343 1.103 -0.017 1.00 0.00 N ATOM 855 CZ ARG A 56 9.249 1.856 -0.026 1.00 0.00 C ATOM 856 NH1 ARG A 56 8.360 1.752 0.952 1.00 0.00 N ATOM 857 NH2 ARG A 56 9.042 2.716 -1.015 1.00 0.00 N ATOM 0 H ARG A 56 10.157 -3.923 1.447 1.00 0.00 H new ATOM 0 HA ARG A 56 8.237 -2.912 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.203 -2.398 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.259 -1.494 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.721 -0.780 0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.757 -1.612 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.532 0.604 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.689 -0.177 0.947 1.00 0.00 H new ATOM 0 HE ARG A 56 11.007 1.209 -0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.515 1.092 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.521 2.332 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.723 2.799 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.201 3.294 -1.021 1.00 0.00 H new ATOM 871 N LYS A 57 10.571 -4.679 -1.796 1.00 0.00 N ATOM 872 CA LYS A 57 10.912 -5.347 -3.047 1.00 0.00 C ATOM 873 C LYS A 57 9.794 -6.289 -3.482 1.00 0.00 C ATOM 874 O LYS A 57 9.279 -6.186 -4.596 1.00 0.00 O ATOM 875 CB LYS A 57 12.219 -6.127 -2.892 1.00 0.00 C ATOM 876 CG LYS A 57 13.449 -5.241 -2.802 1.00 0.00 C ATOM 877 CD LYS A 57 14.616 -5.970 -2.157 1.00 0.00 C ATOM 878 CE LYS A 57 15.433 -6.735 -3.186 1.00 0.00 C ATOM 879 NZ LYS A 57 16.214 -5.820 -4.065 1.00 0.00 N ATOM 0 H LYS A 57 11.207 -4.879 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 57 11.040 -4.584 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.160 -6.744 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.331 -6.804 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.733 -4.909 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.213 -4.347 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.256 -5.252 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.242 -6.661 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.113 -7.417 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.768 -7.346 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.972 -6.354 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.585 -5.407 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.631 -5.059 -3.491 1.00 0.00 H new ATOM 893 N PHE A 58 9.421 -7.207 -2.596 1.00 0.00 N ATOM 894 CA PHE A 58 8.363 -8.167 -2.889 1.00 0.00 C ATOM 895 C PHE A 58 7.072 -7.453 -3.278 1.00 0.00 C ATOM 896 O PHE A 58 6.159 -8.059 -3.838 1.00 0.00 O ATOM 897 CB PHE A 58 8.115 -9.070 -1.679 1.00 0.00 C ATOM 898 CG PHE A 58 7.035 -10.089 -1.902 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.163 -11.048 -2.894 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.890 -10.087 -1.121 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.170 -11.987 -3.102 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.895 -11.024 -1.324 1.00 0.00 C ATOM 903 CZ PHE A 58 5.035 -11.975 -2.317 1.00 0.00 C ATOM 0 H PHE A 58 9.836 -7.306 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 58 8.686 -8.779 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.041 -9.584 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.848 -8.451 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.049 -11.062 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.774 -9.345 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.282 -12.729 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.009 -11.013 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.258 -12.707 -2.478 1.00 0.00 H new ATOM 913 N ALA A 59 7.005 -6.160 -2.976 1.00 0.00 N ATOM 914 CA ALA A 59 5.828 -5.362 -3.295 1.00 0.00 C ATOM 915 C ALA A 59 6.012 -4.613 -4.610 1.00 0.00 C ATOM 916 O ALA A 59 5.279 -3.669 -4.906 1.00 0.00 O ATOM 917 CB ALA A 59 5.530 -4.386 -2.167 1.00 0.00 C ATOM 0 H ALA A 59 7.752 -5.644 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 59 4.981 -6.039 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.648 -3.797 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.345 -4.939 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.382 -3.721 -2.026 1.00 0.00 H new ATOM 923 N ARG A 60 6.996 -5.038 -5.396 1.00 0.00 N ATOM 924 CA ARG A 60 7.278 -4.406 -6.679 1.00 0.00 C ATOM 925 C ARG A 60 6.746 -5.253 -7.831 1.00 0.00 C ATOM 926 O ARG A 60 5.904 -4.803 -8.609 1.00 0.00 O ATOM 927 CB ARG A 60 8.783 -4.188 -6.844 1.00 0.00 C ATOM 928 CG ARG A 60 9.386 -3.273 -5.791 1.00 0.00 C ATOM 929 CD ARG A 60 10.765 -2.782 -6.203 1.00 0.00 C ATOM 930 NE ARG A 60 10.695 -1.791 -7.274 1.00 0.00 N ATOM 931 CZ ARG A 60 11.643 -0.888 -7.502 1.00 0.00 C ATOM 932 NH1 ARG A 60 12.726 -0.851 -6.738 1.00 0.00 N ATOM 933 NH2 ARG A 60 11.507 -0.020 -8.496 1.00 0.00 N ATOM 0 H ARG A 60 7.612 -5.818 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 60 6.774 -3.440 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.287 -5.153 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.974 -3.767 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.728 -2.419 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.457 -3.805 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.268 -2.348 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.368 -3.628 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 60 9.874 -1.792 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.833 -1.517 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.452 -0.157 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.675 -0.046 -9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.235 0.673 -8.671 1.00 0.00 H new ATOM 947 N LEU A 61 7.242 -6.481 -7.934 1.00 0.00 N ATOM 948 CA LEU A 61 6.817 -7.391 -8.992 1.00 0.00 C ATOM 949 C LEU A 61 5.302 -7.567 -8.983 1.00 0.00 C ATOM 950 O LEU A 61 4.684 -7.759 -10.029 1.00 0.00 O ATOM 951 CB LEU A 61 7.500 -8.750 -8.827 1.00 0.00 C ATOM 952 CG LEU A 61 7.013 -9.609 -7.659 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.159 -11.087 -7.987 1.00 0.00 C ATOM 954 CD2 LEU A 61 7.777 -9.265 -6.389 1.00 0.00 C ATOM 0 H LEU A 61 7.939 -6.869 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 61 7.108 -6.958 -9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.366 -9.316 -9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.571 -8.584 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 61 5.957 -9.397 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.808 -11.683 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.567 -11.324 -8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.207 -11.315 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.417 -9.886 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.840 -9.448 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.621 -8.214 -6.144 1.00 0.00 H new ATOM 966 N ASN A 62 4.710 -7.497 -7.795 1.00 0.00 N ATOM 967 CA ASN A 62 3.267 -7.647 -7.650 1.00 0.00 C ATOM 968 C ASN A 62 2.584 -6.285 -7.570 1.00 0.00 C ATOM 969 O ASN A 62 2.590 -5.637 -6.523 1.00 0.00 O ATOM 970 CB ASN A 62 2.941 -8.467 -6.400 1.00 0.00 C ATOM 971 CG ASN A 62 1.558 -9.087 -6.459 1.00 0.00 C ATOM 972 OD1 ASN A 62 0.654 -8.553 -7.101 1.00 0.00 O ATOM 973 ND2 ASN A 62 1.389 -10.220 -5.788 1.00 0.00 N ATOM 0 H ASN A 62 5.208 -7.337 -6.919 1.00 0.00 H new ATOM 0 HA ASN A 62 2.892 -8.172 -8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.685 -9.255 -6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.012 -7.827 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.481 -10.684 -5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.168 -10.627 -5.269 1.00 0.00 H new ATOM 980 N ILE A 63 1.997 -5.857 -8.683 1.00 0.00 N ATOM 981 CA ILE A 63 1.309 -4.574 -8.738 1.00 0.00 C ATOM 982 C ILE A 63 -0.176 -4.759 -9.032 1.00 0.00 C ATOM 983 O ILE A 63 -0.554 -5.230 -10.105 1.00 0.00 O ATOM 984 CB ILE A 63 1.921 -3.652 -9.809 1.00 0.00 C ATOM 985 CG1 ILE A 63 3.421 -3.473 -9.562 1.00 0.00 C ATOM 986 CG2 ILE A 63 1.215 -2.304 -9.814 1.00 0.00 C ATOM 987 CD1 ILE A 63 3.736 -2.588 -8.376 1.00 0.00 C ATOM 0 H ILE A 63 1.984 -6.380 -9.558 1.00 0.00 H new ATOM 0 HA ILE A 63 1.429 -4.110 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 63 1.785 -4.115 -10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.875 -4.452 -9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.880 -3.048 -10.455 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.659 -1.664 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.157 -2.448 -10.032 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.323 -1.833 -8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.817 -2.506 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.312 -1.597 -8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.307 -3.023 -7.473 1.00 0.00 H new ATOM 999 N ASP A 64 -1.015 -4.383 -8.072 1.00 0.00 N ATOM 1000 CA ASP A 64 -2.460 -4.504 -8.228 1.00 0.00 C ATOM 1001 C ASP A 64 -3.062 -3.200 -8.741 1.00 0.00 C ATOM 1002 O ASP A 64 -2.619 -2.105 -8.395 1.00 0.00 O ATOM 1003 CB ASP A 64 -3.107 -4.892 -6.898 1.00 0.00 C ATOM 1004 CG ASP A 64 -2.517 -6.160 -6.314 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -1.387 -6.100 -5.785 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -3.185 -7.212 -6.386 1.00 0.00 O ATOM 0 H ASP A 64 -0.719 -3.992 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.658 -5.287 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.984 -4.076 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.179 -5.028 -7.045 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.097 -3.318 -9.587 1.00 0.00 N ATOM 1012 CA PRO A 65 -4.782 -2.158 -10.165 1.00 0.00 C ATOM 1013 C PRO A 65 -5.590 -1.386 -9.129 1.00 0.00 C ATOM 1014 O PRO A 65 -5.724 -0.166 -9.216 1.00 0.00 O ATOM 1015 CB PRO A 65 -5.709 -2.781 -11.212 1.00 0.00 C ATOM 1016 CG PRO A 65 -5.946 -4.170 -10.730 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.677 -4.592 -10.042 1.00 0.00 C ATOM 0 HA PRO A 65 -4.080 -1.432 -10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.643 -2.226 -11.294 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.249 -2.778 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.792 -4.206 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.180 -4.837 -11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.877 -5.264 -9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.007 -5.119 -10.722 1.00 0.00 H new ATOM 1025 N ALA A 66 -6.127 -2.104 -8.148 1.00 0.00 N ATOM 1026 CA ALA A 66 -6.920 -1.485 -7.094 1.00 0.00 C ATOM 1027 C ALA A 66 -6.348 -0.127 -6.702 1.00 0.00 C ATOM 1028 O ALA A 66 -7.034 0.893 -6.779 1.00 0.00 O ATOM 1029 CB ALA A 66 -6.991 -2.401 -5.880 1.00 0.00 C ATOM 0 H ALA A 66 -6.027 -3.115 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.929 -1.328 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.586 -1.926 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.453 -3.347 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.985 -2.587 -5.505 1.00 0.00 H new ATOM 1035 N THR A 67 -5.088 -0.121 -6.280 1.00 0.00 N ATOM 1036 CA THR A 67 -4.424 1.112 -5.873 1.00 0.00 C ATOM 1037 C THR A 67 -4.396 2.123 -7.014 1.00 0.00 C ATOM 1038 O THR A 67 -4.695 3.301 -6.819 1.00 0.00 O ATOM 1039 CB THR A 67 -2.982 0.845 -5.403 1.00 0.00 C ATOM 1040 OG1 THR A 67 -2.216 0.276 -6.471 1.00 0.00 O ATOM 1041 CG2 THR A 67 -2.968 -0.095 -4.207 1.00 0.00 C ATOM 0 H THR A 67 -4.506 -0.956 -6.211 1.00 0.00 H new ATOM 0 HA THR A 67 -4.999 1.521 -5.042 1.00 0.00 H new ATOM 0 HB THR A 67 -2.539 1.795 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.630 -0.564 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.939 -0.269 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.527 0.353 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.428 -1.044 -4.484 1.00 0.00 H new ATOM 1049 N ILE A 68 -4.035 1.655 -8.204 1.00 0.00 N ATOM 1050 CA ILE A 68 -3.970 2.518 -9.377 1.00 0.00 C ATOM 1051 C ILE A 68 -5.238 3.354 -9.514 1.00 0.00 C ATOM 1052 O ILE A 68 -6.240 2.898 -10.066 1.00 0.00 O ATOM 1053 CB ILE A 68 -3.764 1.702 -10.666 1.00 0.00 C ATOM 1054 CG1 ILE A 68 -2.489 0.862 -10.566 1.00 0.00 C ATOM 1055 CG2 ILE A 68 -3.702 2.626 -11.873 1.00 0.00 C ATOM 1056 CD1 ILE A 68 -1.287 1.643 -10.083 1.00 0.00 C ATOM 0 H ILE A 68 -3.783 0.683 -8.381 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.115 3.179 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.612 1.028 -10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.666 0.027 -9.888 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.266 0.436 -11.544 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.556 2.035 -12.777 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.635 3.185 -11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.871 3.322 -11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.420 0.984 -10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.084 2.462 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.490 2.046 -9.091 1.00 0.00 H new ATOM 1068 N THR A 69 -5.187 4.584 -9.011 1.00 0.00 N ATOM 1069 CA THR A 69 -6.331 5.485 -9.078 1.00 0.00 C ATOM 1070 C THR A 69 -5.982 6.760 -9.837 1.00 0.00 C ATOM 1071 O THR A 69 -6.751 7.722 -9.840 1.00 0.00 O ATOM 1072 CB THR A 69 -6.834 5.860 -7.671 1.00 0.00 C ATOM 1073 OG1 THR A 69 -6.716 4.736 -6.793 1.00 0.00 O ATOM 1074 CG2 THR A 69 -8.282 6.323 -7.720 1.00 0.00 C ATOM 0 H THR A 69 -4.366 4.979 -8.553 1.00 0.00 H new ATOM 0 HA THR A 69 -7.121 4.954 -9.609 1.00 0.00 H new ATOM 0 HB THR A 69 -6.220 6.679 -7.296 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.769 4.556 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.615 6.582 -6.715 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.363 7.197 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.907 5.522 -8.114 1.00 0.00 H new ATOM 1082 N TRP A 70 -4.820 6.761 -10.481 1.00 0.00 N ATOM 1083 CA TRP A 70 -4.371 7.919 -11.245 1.00 0.00 C ATOM 1084 C TRP A 70 -4.710 9.216 -10.518 1.00 0.00 C ATOM 1085 O TRP A 70 -5.182 10.174 -11.129 1.00 0.00 O ATOM 1086 CB TRP A 70 -5.008 7.917 -12.635 1.00 0.00 C ATOM 1087 CG TRP A 70 -4.710 6.678 -13.424 1.00 0.00 C ATOM 1088 CD1 TRP A 70 -5.397 5.499 -13.389 1.00 0.00 C ATOM 1089 CD2 TRP A 70 -3.644 6.496 -14.363 1.00 0.00 C ATOM 1090 NE1 TRP A 70 -4.824 4.594 -14.250 1.00 0.00 N ATOM 1091 CE2 TRP A 70 -3.747 5.182 -14.860 1.00 0.00 C ATOM 1092 CE3 TRP A 70 -2.615 7.315 -14.833 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 -2.858 4.672 -15.803 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 -1.733 6.807 -15.769 1.00 0.00 C ATOM 1095 CH2 TRP A 70 -1.860 5.496 -16.246 1.00 0.00 C ATOM 0 H TRP A 70 -4.172 5.973 -10.489 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.288 7.856 -11.350 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.088 8.022 -12.532 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.655 8.786 -13.190 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.264 5.306 -12.775 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.148 3.640 -14.409 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.510 8.327 -14.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -2.953 3.661 -16.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.933 7.431 -16.138 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.156 5.129 -16.978 1.00 0.00 H new ATOM 1106 N GLN A 71 -4.465 9.238 -9.212 1.00 0.00 N ATOM 1107 CA GLN A 71 -4.746 10.419 -8.403 1.00 0.00 C ATOM 1108 C GLN A 71 -3.832 11.576 -8.794 1.00 0.00 C ATOM 1109 O GLN A 71 -2.784 11.373 -9.407 1.00 0.00 O ATOM 1110 CB GLN A 71 -4.575 10.097 -6.918 1.00 0.00 C ATOM 1111 CG GLN A 71 -5.032 11.217 -5.997 1.00 0.00 C ATOM 1112 CD GLN A 71 -3.977 12.292 -5.817 1.00 0.00 C ATOM 1113 OE1 GLN A 71 -3.984 13.307 -6.514 1.00 0.00 O ATOM 1114 NE2 GLN A 71 -3.063 12.074 -4.879 1.00 0.00 N ATOM 0 H GLN A 71 -4.073 8.453 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.778 10.718 -8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.137 9.193 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.525 9.880 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.939 11.667 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.290 10.800 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.095 11.219 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.329 12.762 -4.713 1.00 0.00 H new TER 1123 GLN A 71