USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 42 ASN : amide:sc= -0.0414 K(o=0.46,f=-2.3) USER MOD Set 1.2: A 44 LYS NZ :NH3+ 179:sc= 0.5 (180deg=0.5) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.0032) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.015) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0.993 (180deg=0.903) USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0152) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 18 SER OG : rot 27:sc= 1.43 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.02) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.14) USER MOD Single : A 29 ASN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.712 K(o=0.71,f=-0.3) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0.871 (180deg=0.835) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.314 K(o=0.31,f=-0.41) USER MOD Single : A 52 TYR OH : rot -41:sc= 1.19 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -163:sc= -0.019 (180deg=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.683 1.678 2.676 1.00 0.00 N ATOM 2 CA MET A 1 12.581 1.119 3.456 1.00 0.00 C ATOM 3 C MET A 1 11.475 0.480 2.584 1.00 0.00 C ATOM 4 O MET A 1 10.327 0.390 3.019 1.00 0.00 O ATOM 5 CB MET A 1 12.040 2.194 4.425 1.00 0.00 C ATOM 6 CG MET A 1 11.476 3.434 3.705 1.00 0.00 C ATOM 7 SD MET A 1 10.539 4.608 4.725 1.00 0.00 S ATOM 8 CE MET A 1 11.802 5.114 5.917 1.00 0.00 C ATOM 0 H1 MET A 1 14.373 2.120 3.317 1.00 0.00 H new ATOM 0 H2 MET A 1 14.147 0.919 2.138 1.00 0.00 H new ATOM 0 H3 MET A 1 13.314 2.394 2.018 1.00 0.00 H new ATOM 0 HA MET A 1 12.970 0.288 4.044 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.258 1.755 5.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.841 2.505 5.096 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.307 3.969 3.246 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.830 3.094 2.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.381 5.850 6.602 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.139 4.244 6.481 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.647 5.553 5.387 1.00 0.00 H new ATOM 19 N GLU A 2 11.809 0.007 1.372 1.00 0.00 N ATOM 20 CA GLU A 2 10.869 -0.573 0.411 1.00 0.00 C ATOM 21 C GLU A 2 10.301 -1.936 0.855 1.00 0.00 C ATOM 22 O GLU A 2 10.829 -2.587 1.757 1.00 0.00 O ATOM 23 CB GLU A 2 11.524 -0.627 -0.982 1.00 0.00 C ATOM 24 CG GLU A 2 12.747 -1.558 -1.059 1.00 0.00 C ATOM 25 CD GLU A 2 13.410 -1.515 -2.438 1.00 0.00 C ATOM 26 OE1 GLU A 2 13.814 -0.402 -2.842 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.510 -2.594 -3.061 1.00 0.00 O ATOM 0 H GLU A 2 12.769 0.020 1.028 1.00 0.00 H new ATOM 0 HA GLU A 2 9.997 0.079 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.782 -0.957 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.827 0.380 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.472 -1.269 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.440 -2.580 -0.835 1.00 0.00 H new ATOM 34 N ALA A 3 9.190 -2.340 0.220 1.00 0.00 N ATOM 35 CA ALA A 3 8.370 -3.499 0.570 1.00 0.00 C ATOM 36 C ALA A 3 7.707 -4.065 -0.700 1.00 0.00 C ATOM 37 O ALA A 3 7.131 -3.306 -1.477 1.00 0.00 O ATOM 38 CB ALA A 3 7.324 -3.050 1.601 1.00 0.00 C ATOM 0 H ALA A 3 8.825 -1.839 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 3 8.979 -4.292 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.699 -3.899 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.829 -2.666 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.701 -2.266 1.170 1.00 0.00 H new ATOM 44 N ILE A 4 7.791 -5.385 -0.937 1.00 0.00 N ATOM 45 CA ILE A 4 7.281 -6.020 -2.163 1.00 0.00 C ATOM 46 C ILE A 4 5.756 -6.201 -2.126 1.00 0.00 C ATOM 47 O ILE A 4 5.182 -6.386 -1.057 1.00 0.00 O ATOM 48 CB ILE A 4 8.077 -7.314 -2.488 1.00 0.00 C ATOM 49 CG1 ILE A 4 7.778 -8.643 -1.761 1.00 0.00 C ATOM 50 CG2 ILE A 4 8.097 -7.568 -4.003 1.00 0.00 C ATOM 51 CD1 ILE A 4 6.445 -9.344 -2.057 1.00 0.00 C ATOM 0 H ILE A 4 8.215 -6.042 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 4 7.455 -5.347 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 4 9.043 -7.045 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.581 -9.341 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.825 -8.454 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.659 -8.478 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.076 -7.680 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.571 -6.726 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.379 -10.262 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.620 -8.684 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.388 -9.584 -3.119 1.00 0.00 H new ATOM 63 N ALA A 5 5.080 -6.145 -3.282 1.00 0.00 N ATOM 64 CA ALA A 5 3.643 -6.398 -3.384 1.00 0.00 C ATOM 65 C ALA A 5 3.362 -7.874 -3.075 1.00 0.00 C ATOM 66 O ALA A 5 3.724 -8.752 -3.858 1.00 0.00 O ATOM 67 CB ALA A 5 3.122 -6.015 -4.772 1.00 0.00 C ATOM 0 H ALA A 5 5.520 -5.922 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 5 3.117 -5.780 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.051 -6.211 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.306 -4.955 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.637 -6.605 -5.530 1.00 0.00 H new ATOM 73 N LYS A 6 2.728 -8.137 -1.925 1.00 0.00 N ATOM 74 CA LYS A 6 2.508 -9.475 -1.379 1.00 0.00 C ATOM 75 C LYS A 6 1.184 -10.058 -1.894 1.00 0.00 C ATOM 76 O LYS A 6 1.111 -11.252 -2.179 1.00 0.00 O ATOM 77 CB LYS A 6 2.565 -9.398 0.156 1.00 0.00 C ATOM 78 CG LYS A 6 2.735 -10.774 0.817 1.00 0.00 C ATOM 79 CD LYS A 6 3.080 -10.591 2.302 1.00 0.00 C ATOM 80 CE LYS A 6 3.443 -11.923 2.972 1.00 0.00 C ATOM 81 NZ LYS A 6 4.083 -11.703 4.283 1.00 0.00 N ATOM 0 H LYS A 6 2.344 -7.400 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 6 3.291 -10.155 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.393 -8.753 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.651 -8.933 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.818 -11.354 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.524 -11.335 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.915 -9.897 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.232 -10.143 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.544 -12.526 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.116 -12.487 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.469 -12.602 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.853 -11.011 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.379 -11.340 4.957 1.00 0.00 H new ATOM 95 N VAL A 7 0.155 -9.208 -2.041 1.00 0.00 N ATOM 96 CA VAL A 7 -1.112 -9.506 -2.707 1.00 0.00 C ATOM 97 C VAL A 7 -1.456 -8.350 -3.665 1.00 0.00 C ATOM 98 O VAL A 7 -1.142 -7.192 -3.388 1.00 0.00 O ATOM 99 CB VAL A 7 -2.231 -9.763 -1.674 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.546 -10.126 -2.386 1.00 0.00 C ATOM 101 CG2 VAL A 7 -1.853 -10.902 -0.711 1.00 0.00 C ATOM 0 H VAL A 7 0.190 -8.254 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.018 -10.422 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.362 -8.845 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.324 -10.304 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.846 -9.305 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.400 -11.027 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.661 -11.058 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.688 -11.818 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.941 -10.638 -0.175 1.00 0.00 H new ATOM 111 N ASP A 8 -2.104 -8.670 -4.794 1.00 0.00 N ATOM 112 CA ASP A 8 -2.536 -7.721 -5.817 1.00 0.00 C ATOM 113 C ASP A 8 -3.556 -6.714 -5.249 1.00 0.00 C ATOM 114 O ASP A 8 -4.702 -7.074 -4.980 1.00 0.00 O ATOM 115 CB ASP A 8 -3.069 -8.497 -7.042 1.00 0.00 C ATOM 116 CG ASP A 8 -4.205 -9.477 -6.722 1.00 0.00 C ATOM 117 OD1 ASP A 8 -3.896 -10.522 -6.104 1.00 0.00 O ATOM 118 OD2 ASP A 8 -5.354 -9.176 -7.113 1.00 0.00 O ATOM 0 H ASP A 8 -2.348 -9.633 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.686 -7.124 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.420 -7.782 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.245 -9.049 -7.495 1.00 0.00 H new ATOM 123 N PHE A 9 -3.134 -5.455 -5.048 1.00 0.00 N ATOM 124 CA PHE A 9 -3.975 -4.390 -4.506 1.00 0.00 C ATOM 125 C PHE A 9 -4.771 -3.714 -5.629 1.00 0.00 C ATOM 126 O PHE A 9 -4.196 -3.061 -6.499 1.00 0.00 O ATOM 127 CB PHE A 9 -3.129 -3.375 -3.719 1.00 0.00 C ATOM 128 CG PHE A 9 -3.918 -2.264 -3.031 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.077 -2.567 -2.274 1.00 0.00 C ATOM 130 CD2 PHE A 9 -3.505 -0.917 -3.153 1.00 0.00 C ATOM 131 CE1 PHE A 9 -5.852 -1.531 -1.713 1.00 0.00 C ATOM 132 CE2 PHE A 9 -4.257 0.114 -2.551 1.00 0.00 C ATOM 133 CZ PHE A 9 -5.447 -0.190 -1.860 1.00 0.00 C ATOM 0 H PHE A 9 -2.185 -5.150 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.690 -4.828 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.556 -3.913 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.410 -2.920 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.368 -3.596 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.611 -0.677 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.756 -1.766 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.920 1.138 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.048 0.605 -1.443 1.00 0.00 H new ATOM 143 N LYS A 10 -6.098 -3.880 -5.589 1.00 0.00 N ATOM 144 CA LYS A 10 -7.058 -3.349 -6.549 1.00 0.00 C ATOM 145 C LYS A 10 -7.983 -2.383 -5.794 1.00 0.00 C ATOM 146 O LYS A 10 -9.043 -2.783 -5.311 1.00 0.00 O ATOM 147 CB LYS A 10 -7.815 -4.525 -7.201 1.00 0.00 C ATOM 148 CG LYS A 10 -6.868 -5.476 -7.960 1.00 0.00 C ATOM 149 CD LYS A 10 -7.576 -6.739 -8.483 1.00 0.00 C ATOM 150 CE LYS A 10 -8.704 -6.468 -9.490 1.00 0.00 C ATOM 151 NZ LYS A 10 -8.223 -5.747 -10.684 1.00 0.00 N ATOM 0 H LYS A 10 -6.548 -4.416 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.576 -2.797 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.348 -5.083 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.565 -4.135 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.422 -4.942 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.052 -5.771 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.836 -7.387 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.987 -7.287 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.152 -7.414 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.488 -5.885 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.002 -5.645 -11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.881 -4.805 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.447 -6.282 -11.123 1.00 0.00 H new ATOM 165 N ALA A 11 -7.557 -1.117 -5.654 1.00 0.00 N ATOM 166 CA ALA A 11 -8.212 -0.118 -4.809 1.00 0.00 C ATOM 167 C ALA A 11 -9.652 0.195 -5.247 1.00 0.00 C ATOM 168 O ALA A 11 -9.947 0.270 -6.440 1.00 0.00 O ATOM 169 CB ALA A 11 -7.380 1.169 -4.779 1.00 0.00 C ATOM 0 H ALA A 11 -6.733 -0.758 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.276 -0.546 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.875 1.907 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.390 0.953 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.283 1.563 -5.791 1.00 0.00 H new ATOM 175 N THR A 12 -10.534 0.406 -4.260 1.00 0.00 N ATOM 176 CA THR A 12 -11.920 0.838 -4.440 1.00 0.00 C ATOM 177 C THR A 12 -11.985 2.371 -4.551 1.00 0.00 C ATOM 178 O THR A 12 -12.475 2.901 -5.547 1.00 0.00 O ATOM 179 CB THR A 12 -12.796 0.288 -3.293 1.00 0.00 C ATOM 180 OG1 THR A 12 -12.347 0.741 -2.028 1.00 0.00 O ATOM 181 CG2 THR A 12 -14.272 0.671 -3.466 1.00 0.00 C ATOM 0 H THR A 12 -10.289 0.274 -3.279 1.00 0.00 H new ATOM 0 HA THR A 12 -12.317 0.433 -5.371 1.00 0.00 H new ATOM 0 HB THR A 12 -12.705 -0.797 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.925 0.376 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.853 0.264 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.367 1.757 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.646 0.264 -4.406 1.00 0.00 H new ATOM 189 N ALA A 13 -11.482 3.075 -3.526 1.00 0.00 N ATOM 190 CA ALA A 13 -11.430 4.533 -3.448 1.00 0.00 C ATOM 191 C ALA A 13 -10.451 5.108 -4.486 1.00 0.00 C ATOM 192 O ALA A 13 -9.283 4.716 -4.519 1.00 0.00 O ATOM 193 CB ALA A 13 -11.026 4.939 -2.025 1.00 0.00 C ATOM 0 H ALA A 13 -11.087 2.623 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.414 4.942 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.984 6.026 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.760 4.558 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.046 4.522 -1.792 1.00 0.00 H new ATOM 199 N ASP A 14 -10.925 6.041 -5.326 1.00 0.00 N ATOM 200 CA ASP A 14 -10.173 6.653 -6.424 1.00 0.00 C ATOM 201 C ASP A 14 -9.233 7.782 -5.944 1.00 0.00 C ATOM 202 O ASP A 14 -9.206 8.870 -6.519 1.00 0.00 O ATOM 203 CB ASP A 14 -11.161 7.083 -7.532 1.00 0.00 C ATOM 204 CG ASP A 14 -12.202 8.114 -7.078 1.00 0.00 C ATOM 205 OD1 ASP A 14 -12.997 7.761 -6.179 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.197 9.228 -7.647 1.00 0.00 O ATOM 0 H ASP A 14 -11.877 6.400 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.494 5.916 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.596 7.497 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.679 6.199 -7.905 1.00 0.00 H new ATOM 211 N ASP A 15 -8.424 7.492 -4.914 1.00 0.00 N ATOM 212 CA ASP A 15 -7.372 8.356 -4.375 1.00 0.00 C ATOM 213 C ASP A 15 -6.300 7.522 -3.640 1.00 0.00 C ATOM 214 O ASP A 15 -5.792 7.933 -2.599 1.00 0.00 O ATOM 215 CB ASP A 15 -7.991 9.475 -3.504 1.00 0.00 C ATOM 216 CG ASP A 15 -8.635 8.984 -2.202 1.00 0.00 C ATOM 217 OD1 ASP A 15 -9.407 8.004 -2.266 1.00 0.00 O ATOM 218 OD2 ASP A 15 -8.346 9.590 -1.147 1.00 0.00 O ATOM 0 H ASP A 15 -8.492 6.606 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.853 8.853 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.214 10.200 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.744 10.001 -4.091 1.00 0.00 H new ATOM 223 N GLU A 16 -5.957 6.348 -4.195 1.00 0.00 N ATOM 224 CA GLU A 16 -5.027 5.363 -3.639 1.00 0.00 C ATOM 225 C GLU A 16 -4.143 4.775 -4.755 1.00 0.00 C ATOM 226 O GLU A 16 -4.426 4.941 -5.943 1.00 0.00 O ATOM 227 CB GLU A 16 -5.822 4.243 -2.934 1.00 0.00 C ATOM 228 CG GLU A 16 -6.699 4.763 -1.782 1.00 0.00 C ATOM 229 CD GLU A 16 -7.384 3.659 -0.970 1.00 0.00 C ATOM 230 OE1 GLU A 16 -7.655 2.584 -1.547 1.00 0.00 O ATOM 231 OE2 GLU A 16 -7.672 3.933 0.217 1.00 0.00 O ATOM 0 H GLU A 16 -6.344 6.049 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.379 5.851 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.454 3.738 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.126 3.499 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.082 5.362 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.462 5.425 -2.191 1.00 0.00 H new ATOM 238 N LEU A 17 -3.082 4.050 -4.369 1.00 0.00 N ATOM 239 CA LEU A 17 -2.258 3.258 -5.290 1.00 0.00 C ATOM 240 C LEU A 17 -3.006 1.977 -5.718 1.00 0.00 C ATOM 241 O LEU A 17 -4.044 1.631 -5.159 1.00 0.00 O ATOM 242 CB LEU A 17 -0.888 2.945 -4.636 1.00 0.00 C ATOM 243 CG LEU A 17 0.307 3.654 -5.305 1.00 0.00 C ATOM 244 CD1 LEU A 17 1.551 3.488 -4.424 1.00 0.00 C ATOM 245 CD2 LEU A 17 0.621 3.131 -6.710 1.00 0.00 C ATOM 0 H LEU A 17 -2.770 3.998 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.068 3.835 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.925 3.233 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.721 1.868 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 17 0.029 4.703 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.398 3.988 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.365 3.930 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.775 2.428 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.472 3.675 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.860 2.069 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.246 3.276 -7.354 1.00 0.00 H new ATOM 257 N SER A 18 -2.471 1.265 -6.718 1.00 0.00 N ATOM 258 CA SER A 18 -2.938 -0.053 -7.161 1.00 0.00 C ATOM 259 C SER A 18 -1.818 -0.756 -7.939 1.00 0.00 C ATOM 260 O SER A 18 -1.023 -0.102 -8.617 1.00 0.00 O ATOM 261 CB SER A 18 -4.221 0.049 -8.008 1.00 0.00 C ATOM 262 OG SER A 18 -5.359 0.248 -7.193 1.00 0.00 O ATOM 0 H SER A 18 -1.675 1.603 -7.258 1.00 0.00 H new ATOM 0 HA SER A 18 -3.190 -0.644 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.128 0.874 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.346 -0.861 -8.595 1.00 0.00 H new ATOM 0 HG SER A 18 -5.093 0.697 -6.363 1.00 0.00 H new ATOM 268 N PHE A 19 -1.744 -2.089 -7.815 1.00 0.00 N ATOM 269 CA PHE A 19 -0.626 -2.895 -8.303 1.00 0.00 C ATOM 270 C PHE A 19 -0.946 -4.397 -8.298 1.00 0.00 C ATOM 271 O PHE A 19 -1.936 -4.830 -7.707 1.00 0.00 O ATOM 272 CB PHE A 19 0.616 -2.595 -7.443 1.00 0.00 C ATOM 273 CG PHE A 19 0.421 -2.742 -5.941 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.441 -4.021 -5.341 1.00 0.00 C ATOM 275 CD2 PHE A 19 0.211 -1.597 -5.139 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.310 -4.150 -3.942 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.073 -1.727 -3.743 1.00 0.00 C ATOM 278 CZ PHE A 19 0.127 -3.004 -3.142 1.00 0.00 C ATOM 0 H PHE A 19 -2.473 -2.642 -7.365 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.433 -2.626 -9.341 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.422 -3.260 -7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.944 -1.577 -7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.557 -4.902 -5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.156 -0.621 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.350 -5.127 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.074 -0.849 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.028 -3.102 -2.071 1.00 0.00 H new ATOM 288 N LYS A 20 -0.069 -5.189 -8.935 1.00 0.00 N ATOM 289 CA LYS A 20 -0.088 -6.651 -8.900 1.00 0.00 C ATOM 290 C LYS A 20 0.986 -7.194 -7.943 1.00 0.00 C ATOM 291 O LYS A 20 2.019 -6.562 -7.715 1.00 0.00 O ATOM 292 CB LYS A 20 0.061 -7.237 -10.319 1.00 0.00 C ATOM 293 CG LYS A 20 1.432 -6.963 -10.958 1.00 0.00 C ATOM 294 CD LYS A 20 1.552 -7.596 -12.352 1.00 0.00 C ATOM 295 CE LYS A 20 2.981 -7.494 -12.909 1.00 0.00 C ATOM 296 NZ LYS A 20 3.469 -6.102 -12.965 1.00 0.00 N ATOM 0 H LYS A 20 0.692 -4.815 -9.503 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.056 -6.970 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.102 -8.314 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.718 -6.821 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.589 -5.887 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.218 -7.355 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.257 -8.644 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.860 -7.103 -13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.653 -8.086 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.009 -7.926 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.361 -6.068 -13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.760 -5.504 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.631 -5.752 -11.999 1.00 0.00 H new ATOM 310 N ARG A 21 0.743 -8.401 -7.416 1.00 0.00 N ATOM 311 CA ARG A 21 1.676 -9.196 -6.619 1.00 0.00 C ATOM 312 C ARG A 21 3.019 -9.356 -7.358 1.00 0.00 C ATOM 313 O ARG A 21 3.051 -9.887 -8.468 1.00 0.00 O ATOM 314 CB ARG A 21 0.993 -10.542 -6.320 1.00 0.00 C ATOM 315 CG ARG A 21 1.885 -11.594 -5.641 1.00 0.00 C ATOM 316 CD ARG A 21 1.078 -12.815 -5.158 1.00 0.00 C ATOM 317 NE ARG A 21 0.187 -13.361 -6.203 1.00 0.00 N ATOM 318 CZ ARG A 21 -1.104 -13.035 -6.409 1.00 0.00 C ATOM 319 NH1 ARG A 21 -1.764 -12.218 -5.581 1.00 0.00 N ATOM 320 NH2 ARG A 21 -1.747 -13.524 -7.472 1.00 0.00 N ATOM 0 H ARG A 21 -0.154 -8.869 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 21 1.915 -8.703 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.127 -10.358 -5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.618 -10.957 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.654 -11.922 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.398 -11.141 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.767 -13.594 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.482 -12.531 -4.291 1.00 0.00 H new ATOM 0 HE ARG A 21 0.590 -14.055 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.290 -11.824 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.741 -11.989 -5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.261 -14.141 -8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.724 -13.281 -7.633 1.00 0.00 H new ATOM 334 N GLY A 22 4.111 -8.860 -6.752 1.00 0.00 N ATOM 335 CA GLY A 22 5.450 -8.786 -7.337 1.00 0.00 C ATOM 336 C GLY A 22 6.010 -7.355 -7.393 1.00 0.00 C ATOM 337 O GLY A 22 7.190 -7.157 -7.104 1.00 0.00 O ATOM 0 H GLY A 22 4.078 -8.486 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.128 -9.412 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.422 -9.198 -8.346 1.00 0.00 H new ATOM 341 N ASP A 23 5.188 -6.362 -7.776 1.00 0.00 N ATOM 342 CA ASP A 23 5.565 -4.960 -7.932 1.00 0.00 C ATOM 343 C ASP A 23 6.194 -4.397 -6.645 1.00 0.00 C ATOM 344 O ASP A 23 5.593 -4.466 -5.576 1.00 0.00 O ATOM 345 CB ASP A 23 4.321 -4.132 -8.313 1.00 0.00 C ATOM 346 CG ASP A 23 3.657 -4.499 -9.642 1.00 0.00 C ATOM 347 OD1 ASP A 23 4.256 -5.280 -10.414 1.00 0.00 O ATOM 348 OD2 ASP A 23 2.544 -3.978 -9.876 1.00 0.00 O ATOM 0 H ASP A 23 4.205 -6.529 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 23 6.311 -4.895 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.582 -4.236 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.605 -3.080 -8.349 1.00 0.00 H new ATOM 353 N ILE A 24 7.402 -3.832 -6.746 1.00 0.00 N ATOM 354 CA ILE A 24 8.115 -3.224 -5.620 1.00 0.00 C ATOM 355 C ILE A 24 7.499 -1.861 -5.248 1.00 0.00 C ATOM 356 O ILE A 24 7.514 -0.930 -6.052 1.00 0.00 O ATOM 357 CB ILE A 24 9.635 -3.155 -5.903 1.00 0.00 C ATOM 358 CG1 ILE A 24 10.008 -2.248 -7.097 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.384 -2.724 -4.628 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.446 -2.470 -7.585 1.00 0.00 C ATOM 0 H ILE A 24 7.918 -3.784 -7.625 1.00 0.00 H new ATOM 0 HA ILE A 24 7.997 -3.859 -4.742 1.00 0.00 H new ATOM 0 HB ILE A 24 9.946 -4.159 -6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.317 -2.435 -7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.884 -1.204 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.454 -2.677 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.031 -1.742 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.198 -3.448 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.652 -1.806 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.142 -2.256 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.566 -3.506 -7.903 1.00 0.00 H new ATOM 372 N LEU A 25 6.963 -1.744 -4.023 1.00 0.00 N ATOM 373 CA LEU A 25 6.473 -0.492 -3.447 1.00 0.00 C ATOM 374 C LEU A 25 7.623 0.156 -2.663 1.00 0.00 C ATOM 375 O LEU A 25 8.056 -0.380 -1.643 1.00 0.00 O ATOM 376 CB LEU A 25 5.259 -0.736 -2.525 1.00 0.00 C ATOM 377 CG LEU A 25 3.911 -1.020 -3.218 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.385 0.211 -3.966 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.955 -2.234 -4.153 1.00 0.00 C ATOM 0 H LEU A 25 6.858 -2.540 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 25 6.140 0.170 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.491 -1.578 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.136 0.138 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 25 3.216 -1.262 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.434 -0.030 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.242 1.031 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.105 0.509 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.975 -2.378 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.697 -2.065 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.225 -3.123 -3.583 1.00 0.00 H new ATOM 391 N LYS A 26 8.091 1.326 -3.119 1.00 0.00 N ATOM 392 CA LYS A 26 9.131 2.104 -2.455 1.00 0.00 C ATOM 393 C LYS A 26 8.445 3.052 -1.466 1.00 0.00 C ATOM 394 O LYS A 26 7.775 3.992 -1.889 1.00 0.00 O ATOM 395 CB LYS A 26 9.938 2.882 -3.512 1.00 0.00 C ATOM 396 CG LYS A 26 11.073 3.711 -2.880 1.00 0.00 C ATOM 397 CD LYS A 26 11.759 4.658 -3.880 1.00 0.00 C ATOM 398 CE LYS A 26 10.787 5.726 -4.408 1.00 0.00 C ATOM 399 NZ LYS A 26 11.477 6.818 -5.117 1.00 0.00 N ATOM 0 H LYS A 26 7.747 1.761 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 26 9.825 1.460 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.359 2.182 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.270 3.544 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.670 4.296 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.818 3.035 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.607 5.144 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.155 4.081 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.069 5.258 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.220 6.140 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.776 7.502 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.132 7.296 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.011 6.428 -5.920 1.00 0.00 H new ATOM 413 N VAL A 27 8.636 2.838 -0.156 1.00 0.00 N ATOM 414 CA VAL A 27 7.916 3.568 0.889 1.00 0.00 C ATOM 415 C VAL A 27 8.694 4.840 1.237 1.00 0.00 C ATOM 416 O VAL A 27 9.925 4.854 1.277 1.00 0.00 O ATOM 417 CB VAL A 27 7.694 2.678 2.133 1.00 0.00 C ATOM 418 CG1 VAL A 27 7.120 3.455 3.334 1.00 0.00 C ATOM 419 CG2 VAL A 27 6.718 1.541 1.803 1.00 0.00 C ATOM 0 H VAL A 27 9.297 2.151 0.206 1.00 0.00 H new ATOM 0 HA VAL A 27 6.929 3.849 0.522 1.00 0.00 H new ATOM 0 HB VAL A 27 8.676 2.293 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.986 2.776 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.809 4.251 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.158 3.888 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.570 0.921 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.762 1.961 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.128 0.932 0.997 1.00 0.00 H new ATOM 429 N LEU A 28 7.941 5.923 1.447 1.00 0.00 N ATOM 430 CA LEU A 28 8.459 7.264 1.704 1.00 0.00 C ATOM 431 C LEU A 28 8.655 7.487 3.209 1.00 0.00 C ATOM 432 O LEU A 28 9.725 7.923 3.633 1.00 0.00 O ATOM 433 CB LEU A 28 7.530 8.323 1.081 1.00 0.00 C ATOM 434 CG LEU A 28 7.264 8.120 -0.427 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.447 9.302 -0.968 1.00 0.00 C ATOM 436 CD2 LEU A 28 8.554 7.970 -1.250 1.00 0.00 C ATOM 0 H LEU A 28 6.922 5.886 1.442 1.00 0.00 H new ATOM 0 HA LEU A 28 9.436 7.365 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.578 8.313 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.968 9.309 1.232 1.00 0.00 H new ATOM 0 HG LEU A 28 6.708 7.188 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.260 9.158 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.497 9.361 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.004 10.227 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.301 7.830 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.163 8.868 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.114 7.106 -0.894 1.00 0.00 H new ATOM 448 N ASN A 29 7.619 7.194 4.010 1.00 0.00 N ATOM 449 CA ASN A 29 7.642 7.314 5.465 1.00 0.00 C ATOM 450 C ASN A 29 6.707 6.299 6.141 1.00 0.00 C ATOM 451 O ASN A 29 5.811 5.737 5.509 1.00 0.00 O ATOM 452 CB ASN A 29 7.252 8.751 5.872 1.00 0.00 C ATOM 453 CG ASN A 29 5.790 9.081 5.568 1.00 0.00 C ATOM 454 OD1 ASN A 29 5.449 9.464 4.451 1.00 0.00 O ATOM 455 ND2 ASN A 29 4.916 8.930 6.560 1.00 0.00 N ATOM 0 H ASN A 29 6.725 6.860 3.650 1.00 0.00 H new ATOM 0 HA ASN A 29 8.655 7.097 5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.435 8.883 6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.895 9.458 5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.929 9.134 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.233 8.610 7.475 1.00 0.00 H new ATOM 462 N GLU A 30 6.904 6.125 7.453 1.00 0.00 N ATOM 463 CA GLU A 30 6.005 5.399 8.343 1.00 0.00 C ATOM 464 C GLU A 30 5.011 6.423 8.913 1.00 0.00 C ATOM 465 O GLU A 30 5.388 7.553 9.232 1.00 0.00 O ATOM 466 CB GLU A 30 6.790 4.704 9.468 1.00 0.00 C ATOM 467 CG GLU A 30 7.493 3.421 8.995 1.00 0.00 C ATOM 468 CD GLU A 30 8.594 3.661 7.959 1.00 0.00 C ATOM 469 OE1 GLU A 30 9.518 4.444 8.275 1.00 0.00 O ATOM 470 OE2 GLU A 30 8.494 3.056 6.870 1.00 0.00 O ATOM 0 H GLU A 30 7.721 6.500 7.935 1.00 0.00 H new ATOM 0 HA GLU A 30 5.476 4.615 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.533 5.394 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.109 4.461 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.925 2.916 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.749 2.747 8.570 1.00 0.00 H new ATOM 477 N GLU A 31 3.734 6.038 9.012 1.00 0.00 N ATOM 478 CA GLU A 31 2.651 6.947 9.393 1.00 0.00 C ATOM 479 C GLU A 31 2.524 7.094 10.919 1.00 0.00 C ATOM 480 O GLU A 31 3.203 6.412 11.689 1.00 0.00 O ATOM 481 CB GLU A 31 1.324 6.504 8.748 1.00 0.00 C ATOM 482 CG GLU A 31 1.409 6.210 7.239 1.00 0.00 C ATOM 483 CD GLU A 31 2.049 7.305 6.375 1.00 0.00 C ATOM 484 OE1 GLU A 31 1.881 8.497 6.715 1.00 0.00 O ATOM 485 OE2 GLU A 31 2.688 6.932 5.366 1.00 0.00 O ATOM 0 H GLU A 31 3.423 5.084 8.829 1.00 0.00 H new ATOM 0 HA GLU A 31 2.900 7.937 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.968 5.610 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.579 7.282 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.974 5.288 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.401 6.025 6.868 1.00 0.00 H new ATOM 492 N SER A 32 1.638 8.003 11.352 1.00 0.00 N ATOM 493 CA SER A 32 1.398 8.322 12.763 1.00 0.00 C ATOM 494 C SER A 32 0.745 7.133 13.484 1.00 0.00 C ATOM 495 O SER A 32 1.345 6.528 14.372 1.00 0.00 O ATOM 496 CB SER A 32 0.558 9.607 12.885 1.00 0.00 C ATOM 497 OG SER A 32 1.229 10.705 12.299 1.00 0.00 O ATOM 0 H SER A 32 1.057 8.548 10.715 1.00 0.00 H new ATOM 0 HA SER A 32 2.354 8.508 13.253 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.407 9.463 12.399 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.357 9.817 13.936 1.00 0.00 H new ATOM 0 HG SER A 32 0.677 11.510 12.386 1.00 0.00 H new ATOM 503 N ASP A 33 -0.477 6.797 13.061 1.00 0.00 N ATOM 504 CA ASP A 33 -1.210 5.593 13.437 1.00 0.00 C ATOM 505 C ASP A 33 -2.231 5.296 12.333 1.00 0.00 C ATOM 506 O ASP A 33 -3.385 5.716 12.407 1.00 0.00 O ATOM 507 CB ASP A 33 -1.855 5.738 14.828 1.00 0.00 C ATOM 508 CG ASP A 33 -2.727 4.536 15.215 1.00 0.00 C ATOM 509 OD1 ASP A 33 -2.461 3.426 14.702 1.00 0.00 O ATOM 510 OD2 ASP A 33 -3.679 4.750 15.997 1.00 0.00 O ATOM 0 H ASP A 33 -1.003 7.387 12.417 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.530 4.746 13.524 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.071 5.866 15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.464 6.642 14.847 1.00 0.00 H new ATOM 515 N GLN A 34 -1.785 4.565 11.308 1.00 0.00 N ATOM 516 CA GLN A 34 -2.600 4.076 10.202 1.00 0.00 C ATOM 517 C GLN A 34 -2.082 2.696 9.785 1.00 0.00 C ATOM 518 O GLN A 34 -0.870 2.486 9.712 1.00 0.00 O ATOM 519 CB GLN A 34 -2.535 5.041 9.001 1.00 0.00 C ATOM 520 CG GLN A 34 -2.970 6.477 9.332 1.00 0.00 C ATOM 521 CD GLN A 34 -3.025 7.346 8.074 1.00 0.00 C ATOM 522 OE1 GLN A 34 -2.034 7.965 7.696 1.00 0.00 O ATOM 523 NE2 GLN A 34 -4.181 7.399 7.413 1.00 0.00 N ATOM 0 H GLN A 34 -0.807 4.289 11.226 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.639 4.009 10.526 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.515 5.060 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.168 4.655 8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.950 6.461 9.809 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.274 6.914 10.048 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.987 6.873 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.260 7.965 6.568 1.00 0.00 H new ATOM 532 N ASN A 35 -2.992 1.771 9.449 1.00 0.00 N ATOM 533 CA ASN A 35 -2.647 0.488 8.831 1.00 0.00 C ATOM 534 C ASN A 35 -2.465 0.677 7.310 1.00 0.00 C ATOM 535 O ASN A 35 -3.033 -0.056 6.500 1.00 0.00 O ATOM 536 CB ASN A 35 -3.718 -0.550 9.204 1.00 0.00 C ATOM 537 CG ASN A 35 -3.735 -0.841 10.708 1.00 0.00 C ATOM 538 OD1 ASN A 35 -2.946 -1.644 11.199 1.00 0.00 O ATOM 539 ND2 ASN A 35 -4.628 -0.188 11.453 1.00 0.00 N ATOM 0 H ASN A 35 -3.993 1.895 9.600 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.696 0.111 9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.698 -0.188 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.533 -1.475 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.668 -0.350 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.270 0.473 11.016 1.00 0.00 H new ATOM 546 N TRP A 36 -1.666 1.693 6.950 1.00 0.00 N ATOM 547 CA TRP A 36 -1.378 2.174 5.605 1.00 0.00 C ATOM 548 C TRP A 36 0.037 2.780 5.556 1.00 0.00 C ATOM 549 O TRP A 36 0.650 3.030 6.596 1.00 0.00 O ATOM 550 CB TRP A 36 -2.423 3.229 5.194 1.00 0.00 C ATOM 551 CG TRP A 36 -3.816 2.731 4.945 1.00 0.00 C ATOM 552 CD1 TRP A 36 -4.777 2.548 5.881 1.00 0.00 C ATOM 553 CD2 TRP A 36 -4.428 2.367 3.672 1.00 0.00 C ATOM 554 NE1 TRP A 36 -5.934 2.091 5.285 1.00 0.00 N ATOM 555 CE2 TRP A 36 -5.780 1.973 3.920 1.00 0.00 C ATOM 556 CE3 TRP A 36 -3.987 2.352 2.325 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -6.648 1.584 2.884 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -4.851 1.967 1.277 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.173 1.564 1.558 1.00 0.00 C ATOM 0 H TRP A 36 -1.168 2.238 7.654 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.426 1.338 4.907 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.467 3.988 5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.071 3.723 4.289 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.656 2.733 6.938 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.793 1.869 5.789 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.972 2.640 2.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.668 1.304 3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.498 1.981 0.256 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.821 1.240 0.757 1.00 0.00 H new ATOM 570 N TYR A 37 0.536 3.045 4.340 1.00 0.00 N ATOM 571 CA TYR A 37 1.814 3.717 4.084 1.00 0.00 C ATOM 572 C TYR A 37 1.745 4.548 2.799 1.00 0.00 C ATOM 573 O TYR A 37 1.046 4.165 1.864 1.00 0.00 O ATOM 574 CB TYR A 37 2.939 2.676 3.945 1.00 0.00 C ATOM 575 CG TYR A 37 3.157 1.815 5.174 1.00 0.00 C ATOM 576 CD1 TYR A 37 3.880 2.337 6.268 1.00 0.00 C ATOM 577 CD2 TYR A 37 2.541 0.547 5.278 1.00 0.00 C ATOM 578 CE1 TYR A 37 4.005 1.588 7.456 1.00 0.00 C ATOM 579 CE2 TYR A 37 2.701 -0.219 6.452 1.00 0.00 C ATOM 580 CZ TYR A 37 3.422 0.305 7.545 1.00 0.00 C ATOM 581 OH TYR A 37 3.553 -0.431 8.687 1.00 0.00 O ATOM 0 H TYR A 37 0.045 2.789 3.483 1.00 0.00 H new ATOM 0 HA TYR A 37 2.021 4.378 4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.714 2.027 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.869 3.194 3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.338 3.312 6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.949 0.165 4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.546 1.995 8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.271 -1.208 6.514 1.00 0.00 H new ATOM 0 HH TYR A 37 3.090 -1.288 8.579 1.00 0.00 H new ATOM 591 N LYS A 38 2.514 5.645 2.722 1.00 0.00 N ATOM 592 CA LYS A 38 2.712 6.399 1.483 1.00 0.00 C ATOM 593 C LYS A 38 3.920 5.819 0.736 1.00 0.00 C ATOM 594 O LYS A 38 4.987 5.633 1.324 1.00 0.00 O ATOM 595 CB LYS A 38 2.931 7.898 1.754 1.00 0.00 C ATOM 596 CG LYS A 38 1.609 8.656 1.939 1.00 0.00 C ATOM 597 CD LYS A 38 1.803 10.184 1.987 1.00 0.00 C ATOM 598 CE LYS A 38 2.586 10.786 0.802 1.00 0.00 C ATOM 599 NZ LYS A 38 2.093 10.328 -0.514 1.00 0.00 N ATOM 0 H LYS A 38 3.016 6.032 3.521 1.00 0.00 H new ATOM 0 HA LYS A 38 1.811 6.307 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.544 8.018 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.486 8.337 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.933 8.405 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.131 8.325 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.822 10.657 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.322 10.439 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.523 11.873 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.639 10.523 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.602 10.830 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.255 9.305 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.075 10.526 -0.591 1.00 0.00 H new ATOM 613 N ALA A 39 3.737 5.529 -0.560 1.00 0.00 N ATOM 614 CA ALA A 39 4.726 4.850 -1.390 1.00 0.00 C ATOM 615 C ALA A 39 4.633 5.272 -2.860 1.00 0.00 C ATOM 616 O ALA A 39 3.552 5.584 -3.355 1.00 0.00 O ATOM 617 CB ALA A 39 4.537 3.334 -1.259 1.00 0.00 C ATOM 0 H ALA A 39 2.882 5.766 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 39 5.718 5.135 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.274 2.821 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.669 3.040 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.534 3.063 -1.589 1.00 0.00 H new ATOM 623 N GLU A 40 5.779 5.220 -3.550 1.00 0.00 N ATOM 624 CA GLU A 40 5.941 5.409 -4.988 1.00 0.00 C ATOM 625 C GLU A 40 6.084 4.055 -5.693 1.00 0.00 C ATOM 626 O GLU A 40 6.786 3.158 -5.220 1.00 0.00 O ATOM 627 CB GLU A 40 7.193 6.263 -5.259 1.00 0.00 C ATOM 628 CG GLU A 40 6.881 7.762 -5.170 1.00 0.00 C ATOM 629 CD GLU A 40 8.139 8.633 -5.098 1.00 0.00 C ATOM 630 OE1 GLU A 40 9.150 8.249 -5.731 1.00 0.00 O ATOM 631 OE2 GLU A 40 8.076 9.672 -4.406 1.00 0.00 O ATOM 0 H GLU A 40 6.668 5.033 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 40 5.058 5.917 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.971 6.009 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.586 6.030 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.291 8.057 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.267 7.948 -4.289 1.00 0.00 H new ATOM 638 N LEU A 41 5.445 3.949 -6.863 1.00 0.00 N ATOM 639 CA LEU A 41 5.564 2.846 -7.798 1.00 0.00 C ATOM 640 C LEU A 41 5.139 3.374 -9.179 1.00 0.00 C ATOM 641 O LEU A 41 3.971 3.709 -9.386 1.00 0.00 O ATOM 642 CB LEU A 41 4.722 1.666 -7.278 1.00 0.00 C ATOM 643 CG LEU A 41 4.313 0.660 -8.361 1.00 0.00 C ATOM 644 CD1 LEU A 41 5.517 0.003 -9.054 1.00 0.00 C ATOM 645 CD2 LEU A 41 3.410 -0.424 -7.763 1.00 0.00 C ATOM 0 H LEU A 41 4.802 4.669 -7.191 1.00 0.00 H new ATOM 0 HA LEU A 41 6.582 2.467 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.287 1.143 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.822 2.058 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 41 3.771 1.224 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.164 -0.698 -9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.127 0.771 -9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.115 -0.530 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.127 -1.132 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.946 -0.949 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.514 0.037 -7.348 1.00 0.00 H new ATOM 657 N ASN A 42 6.098 3.460 -10.117 1.00 0.00 N ATOM 658 CA ASN A 42 5.887 3.861 -11.508 1.00 0.00 C ATOM 659 C ASN A 42 5.138 5.206 -11.596 1.00 0.00 C ATOM 660 O ASN A 42 3.989 5.257 -12.036 1.00 0.00 O ATOM 661 CB ASN A 42 5.217 2.699 -12.268 1.00 0.00 C ATOM 662 CG ASN A 42 4.960 2.990 -13.744 1.00 0.00 C ATOM 663 OD1 ASN A 42 3.819 3.165 -14.164 1.00 0.00 O ATOM 664 ND2 ASN A 42 6.026 3.021 -14.541 1.00 0.00 N ATOM 0 H ASN A 42 7.074 3.243 -9.914 1.00 0.00 H new ATOM 0 HA ASN A 42 6.840 4.052 -12.000 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.848 1.814 -12.187 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.270 2.461 -11.785 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.911 3.195 -15.539 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.957 2.871 -14.153 1.00 0.00 H new ATOM 671 N GLY A 43 5.783 6.290 -11.135 1.00 0.00 N ATOM 672 CA GLY A 43 5.254 7.655 -11.174 1.00 0.00 C ATOM 673 C GLY A 43 4.173 7.969 -10.123 1.00 0.00 C ATOM 674 O GLY A 43 4.037 9.123 -9.719 1.00 0.00 O ATOM 0 H GLY A 43 6.711 6.235 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.081 8.352 -11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.839 7.839 -12.165 1.00 0.00 H new ATOM 678 N LYS A 44 3.390 6.966 -9.698 1.00 0.00 N ATOM 679 CA LYS A 44 2.195 7.121 -8.875 1.00 0.00 C ATOM 680 C LYS A 44 2.557 7.062 -7.383 1.00 0.00 C ATOM 681 O LYS A 44 2.804 5.977 -6.854 1.00 0.00 O ATOM 682 CB LYS A 44 1.192 6.010 -9.242 1.00 0.00 C ATOM 683 CG LYS A 44 0.709 6.107 -10.699 1.00 0.00 C ATOM 684 CD LYS A 44 -0.204 4.935 -11.104 1.00 0.00 C ATOM 685 CE LYS A 44 0.464 3.549 -11.046 1.00 0.00 C ATOM 686 NZ LYS A 44 1.690 3.473 -11.863 1.00 0.00 N ATOM 0 H LYS A 44 3.584 5.992 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 44 1.741 8.094 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.658 5.038 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.333 6.066 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.171 7.045 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.573 6.134 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.077 4.930 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.565 5.107 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.707 3.310 -10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.244 2.794 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.108 2.525 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.455 3.656 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.373 4.184 -11.532 1.00 0.00 H new ATOM 700 N ASP A 45 2.552 8.222 -6.704 1.00 0.00 N ATOM 701 CA ASP A 45 2.666 8.321 -5.250 1.00 0.00 C ATOM 702 C ASP A 45 1.269 8.326 -4.613 1.00 0.00 C ATOM 703 O ASP A 45 0.739 9.373 -4.240 1.00 0.00 O ATOM 704 CB ASP A 45 3.500 9.549 -4.848 1.00 0.00 C ATOM 705 CG ASP A 45 3.621 9.719 -3.326 1.00 0.00 C ATOM 706 OD1 ASP A 45 3.700 8.687 -2.625 1.00 0.00 O ATOM 707 OD2 ASP A 45 3.590 10.883 -2.869 1.00 0.00 O ATOM 0 H ASP A 45 2.467 9.129 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 45 3.196 7.447 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.497 9.461 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.047 10.444 -5.273 1.00 0.00 H new ATOM 712 N GLY A 46 0.696 7.128 -4.471 1.00 0.00 N ATOM 713 CA GLY A 46 -0.523 6.880 -3.708 1.00 0.00 C ATOM 714 C GLY A 46 -0.190 6.311 -2.325 1.00 0.00 C ATOM 715 O GLY A 46 0.853 6.616 -1.740 1.00 0.00 O ATOM 0 H GLY A 46 1.080 6.284 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.085 7.808 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.161 6.182 -4.250 1.00 0.00 H new ATOM 719 N PHE A 47 -1.090 5.469 -1.805 1.00 0.00 N ATOM 720 CA PHE A 47 -0.896 4.730 -0.564 1.00 0.00 C ATOM 721 C PHE A 47 -1.491 3.333 -0.649 1.00 0.00 C ATOM 722 O PHE A 47 -2.393 3.036 -1.435 1.00 0.00 O ATOM 723 CB PHE A 47 -1.345 5.551 0.665 1.00 0.00 C ATOM 724 CG PHE A 47 -2.667 6.297 0.550 1.00 0.00 C ATOM 725 CD1 PHE A 47 -2.722 7.547 -0.111 1.00 0.00 C ATOM 726 CD2 PHE A 47 -3.819 5.806 1.201 1.00 0.00 C ATOM 727 CE1 PHE A 47 -3.933 8.269 -0.163 1.00 0.00 C ATOM 728 CE2 PHE A 47 -5.028 6.528 1.152 1.00 0.00 C ATOM 729 CZ PHE A 47 -5.089 7.756 0.461 1.00 0.00 C ATOM 0 H PHE A 47 -1.990 5.282 -2.248 1.00 0.00 H new ATOM 0 HA PHE A 47 0.173 4.573 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.410 4.876 1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.564 6.277 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.835 7.949 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.774 4.871 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.975 9.216 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.908 6.141 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.019 8.302 0.410 1.00 0.00 H new ATOM 739 N ILE A 48 -0.880 2.485 0.179 1.00 0.00 N ATOM 740 CA ILE A 48 -0.985 1.052 0.207 1.00 0.00 C ATOM 741 C ILE A 48 -1.331 0.516 1.608 1.00 0.00 C ATOM 742 O ILE A 48 -0.788 1.019 2.591 1.00 0.00 O ATOM 743 CB ILE A 48 0.404 0.579 -0.283 1.00 0.00 C ATOM 744 CG1 ILE A 48 1.599 1.046 0.582 1.00 0.00 C ATOM 745 CG2 ILE A 48 0.395 -0.928 -0.383 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.952 0.537 0.080 1.00 0.00 C ATOM 0 H ILE A 48 -0.249 2.827 0.903 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.797 0.679 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 48 0.562 1.047 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.616 2.136 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.450 0.707 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.369 -1.276 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.183 -1.356 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.373 -1.241 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.744 0.903 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.954 -0.553 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.123 0.898 -0.934 1.00 0.00 H new ATOM 758 N PRO A 49 -2.200 -0.511 1.722 1.00 0.00 N ATOM 759 CA PRO A 49 -2.485 -1.209 2.973 1.00 0.00 C ATOM 760 C PRO A 49 -1.255 -1.822 3.657 1.00 0.00 C ATOM 761 O PRO A 49 -0.265 -2.161 3.009 1.00 0.00 O ATOM 762 CB PRO A 49 -3.447 -2.339 2.591 1.00 0.00 C ATOM 763 CG PRO A 49 -4.194 -1.770 1.393 1.00 0.00 C ATOM 764 CD PRO A 49 -3.070 -1.029 0.671 1.00 0.00 C ATOM 0 HA PRO A 49 -2.886 -0.493 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.912 -3.254 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.125 -2.584 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.636 -2.551 0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.003 -1.103 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.524 -1.698 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.466 -0.220 0.056 1.00 0.00 H new ATOM 772 N LYS A 50 -1.376 -2.037 4.971 1.00 0.00 N ATOM 773 CA LYS A 50 -0.430 -2.798 5.783 1.00 0.00 C ATOM 774 C LYS A 50 -0.391 -4.284 5.369 1.00 0.00 C ATOM 775 O LYS A 50 0.684 -4.880 5.311 1.00 0.00 O ATOM 776 CB LYS A 50 -0.824 -2.616 7.259 1.00 0.00 C ATOM 777 CG LYS A 50 0.154 -3.256 8.252 1.00 0.00 C ATOM 778 CD LYS A 50 -0.286 -2.922 9.686 1.00 0.00 C ATOM 779 CE LYS A 50 0.677 -3.497 10.731 1.00 0.00 C ATOM 780 NZ LYS A 50 0.259 -3.128 12.097 1.00 0.00 N ATOM 0 H LYS A 50 -2.160 -1.674 5.512 1.00 0.00 H new ATOM 0 HA LYS A 50 0.582 -2.425 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.899 -1.550 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.815 -3.043 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.180 -4.336 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.164 -2.887 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.345 -1.840 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.287 -3.317 9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.713 -4.583 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.685 -3.128 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.928 -3.530 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.248 -2.092 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.694 -3.502 12.281 1.00 0.00 H new ATOM 794 N ASN A 51 -1.563 -4.875 5.086 1.00 0.00 N ATOM 795 CA ASN A 51 -1.750 -6.295 4.774 1.00 0.00 C ATOM 796 C ASN A 51 -1.195 -6.682 3.389 1.00 0.00 C ATOM 797 O ASN A 51 -0.458 -7.661 3.270 1.00 0.00 O ATOM 798 CB ASN A 51 -3.247 -6.654 4.875 1.00 0.00 C ATOM 799 CG ASN A 51 -3.866 -6.391 6.250 1.00 0.00 C ATOM 800 OD1 ASN A 51 -3.173 -6.322 7.262 1.00 0.00 O ATOM 801 ND2 ASN A 51 -5.187 -6.232 6.294 1.00 0.00 N ATOM 0 H ASN A 51 -2.439 -4.353 5.068 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.180 -6.867 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.797 -6.083 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.373 -7.708 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.649 -6.048 7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.737 -6.295 5.437 1.00 0.00 H new ATOM 808 N TYR A 52 -1.581 -5.940 2.340 1.00 0.00 N ATOM 809 CA TYR A 52 -1.294 -6.239 0.934 1.00 0.00 C ATOM 810 C TYR A 52 0.201 -6.184 0.562 1.00 0.00 C ATOM 811 O TYR A 52 0.581 -6.773 -0.450 1.00 0.00 O ATOM 812 CB TYR A 52 -2.116 -5.298 0.030 1.00 0.00 C ATOM 813 CG TYR A 52 -3.594 -5.650 -0.112 1.00 0.00 C ATOM 814 CD1 TYR A 52 -4.496 -5.453 0.960 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.082 -6.146 -1.344 1.00 0.00 C ATOM 816 CE1 TYR A 52 -5.869 -5.728 0.795 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.459 -6.393 -1.517 1.00 0.00 C ATOM 818 CZ TYR A 52 -6.353 -6.180 -0.450 1.00 0.00 C ATOM 819 OH TYR A 52 -7.684 -6.411 -0.628 1.00 0.00 O ATOM 0 H TYR A 52 -2.122 -5.083 2.455 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.588 -7.276 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.038 -4.285 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.665 -5.290 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.131 -5.090 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.396 -6.336 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.550 -5.592 1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.829 -6.746 -2.468 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.049 -6.851 0.168 1.00 0.00 H new ATOM 829 N ILE A 53 1.041 -5.481 1.341 1.00 0.00 N ATOM 830 CA ILE A 53 2.479 -5.332 1.093 1.00 0.00 C ATOM 831 C ILE A 53 3.315 -6.216 2.044 1.00 0.00 C ATOM 832 O ILE A 53 2.866 -6.591 3.128 1.00 0.00 O ATOM 833 CB ILE A 53 2.869 -3.832 1.162 1.00 0.00 C ATOM 834 CG1 ILE A 53 3.167 -3.385 2.608 1.00 0.00 C ATOM 835 CG2 ILE A 53 4.039 -3.539 0.206 1.00 0.00 C ATOM 836 CD1 ILE A 53 3.313 -1.871 2.784 1.00 0.00 C ATOM 0 H ILE A 53 0.728 -4.991 2.179 1.00 0.00 H new ATOM 0 HA ILE A 53 2.706 -5.687 0.088 1.00 0.00 H new ATOM 0 HB ILE A 53 2.015 -3.240 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.366 -3.739 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.085 -3.868 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.302 -2.483 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.901 -4.144 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.745 -3.783 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.521 -1.645 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.134 -1.510 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.388 -1.379 2.483 1.00 0.00 H new ATOM 848 N GLU A 54 4.557 -6.513 1.639 1.00 0.00 N ATOM 849 CA GLU A 54 5.565 -7.251 2.396 1.00 0.00 C ATOM 850 C GLU A 54 6.328 -6.272 3.297 1.00 0.00 C ATOM 851 O GLU A 54 7.495 -5.955 3.067 1.00 0.00 O ATOM 852 CB GLU A 54 6.470 -8.002 1.404 1.00 0.00 C ATOM 853 CG GLU A 54 7.433 -8.999 2.072 1.00 0.00 C ATOM 854 CD GLU A 54 6.705 -10.161 2.753 1.00 0.00 C ATOM 855 OE1 GLU A 54 6.453 -11.167 2.056 1.00 0.00 O ATOM 856 OE2 GLU A 54 6.379 -10.025 3.954 1.00 0.00 O ATOM 0 H GLU A 54 4.900 -6.227 0.722 1.00 0.00 H new ATOM 0 HA GLU A 54 5.115 -7.997 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.844 -8.538 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.051 -7.276 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.117 -9.395 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.039 -8.473 2.810 1.00 0.00 H new ATOM 863 N MET A 55 5.611 -5.764 4.304 1.00 0.00 N ATOM 864 CA MET A 55 6.024 -4.665 5.175 1.00 0.00 C ATOM 865 C MET A 55 7.348 -4.942 5.911 1.00 0.00 C ATOM 866 O MET A 55 7.623 -6.072 6.317 1.00 0.00 O ATOM 867 CB MET A 55 4.884 -4.309 6.149 1.00 0.00 C ATOM 868 CG MET A 55 4.492 -5.466 7.083 1.00 0.00 C ATOM 869 SD MET A 55 3.157 -5.076 8.246 1.00 0.00 S ATOM 870 CE MET A 55 2.917 -6.705 8.998 1.00 0.00 C ATOM 0 H MET A 55 4.687 -6.125 4.543 1.00 0.00 H new ATOM 0 HA MET A 55 6.224 -3.801 4.541 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.186 -3.452 6.752 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.009 -4.003 5.576 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.190 -6.319 6.476 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.371 -5.773 7.649 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.124 -6.648 9.744 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.639 -7.424 8.227 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.843 -7.025 9.476 1.00 0.00 H new ATOM 880 N LYS A 56 8.161 -3.890 6.079 1.00 0.00 N ATOM 881 CA LYS A 56 9.485 -3.935 6.693 1.00 0.00 C ATOM 882 C LYS A 56 9.374 -3.704 8.208 1.00 0.00 C ATOM 883 O LYS A 56 9.842 -4.531 8.987 1.00 0.00 O ATOM 884 CB LYS A 56 10.382 -2.884 6.015 1.00 0.00 C ATOM 885 CG LYS A 56 11.836 -2.949 6.507 1.00 0.00 C ATOM 886 CD LYS A 56 12.686 -1.892 5.788 1.00 0.00 C ATOM 887 CE LYS A 56 14.147 -1.942 6.256 1.00 0.00 C ATOM 888 NZ LYS A 56 14.968 -0.921 5.577 1.00 0.00 N ATOM 889 OXT LYS A 56 8.755 -2.558 8.608 1.00 0.00 O ATOM 0 H LYS A 56 7.900 -2.951 5.778 1.00 0.00 H new ATOM 0 HA LYS A 56 9.935 -4.917 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.360 -3.033 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.980 -1.889 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.871 -2.784 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.246 -3.942 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.641 -2.056 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.275 -0.901 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.190 -1.787 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.559 -2.932 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.949 -0.983 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.946 -1.084 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.588 0.025 5.785 1.00 0.00 H new TER 904 LYS A 56 ATOM 905 N VAL B 1 -9.161 -14.658 -2.837 1.00 0.00 N ATOM 906 CA VAL B 1 -9.807 -13.644 -1.974 1.00 0.00 C ATOM 907 C VAL B 1 -8.747 -12.836 -1.197 1.00 0.00 C ATOM 908 O VAL B 1 -8.276 -13.309 -0.163 1.00 0.00 O ATOM 909 CB VAL B 1 -10.851 -14.286 -1.028 1.00 0.00 C ATOM 910 CG1 VAL B 1 -11.565 -13.220 -0.175 1.00 0.00 C ATOM 911 CG2 VAL B 1 -11.917 -15.083 -1.804 1.00 0.00 C ATOM 0 H1 VAL B 1 -9.840 -14.988 -3.552 1.00 0.00 H new ATOM 0 H2 VAL B 1 -8.337 -14.236 -3.311 1.00 0.00 H new ATOM 0 H3 VAL B 1 -8.852 -15.463 -2.255 1.00 0.00 H new ATOM 0 HA VAL B 1 -10.349 -12.949 -2.615 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.296 -14.966 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.291 -13.703 0.478 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.832 -12.687 0.430 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -12.078 -12.515 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.629 -15.517 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -12.442 -14.417 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.435 -15.880 -2.370 1.00 0.00 H new ATOM 923 N PRO B 2 -8.348 -11.643 -1.683 1.00 0.00 N ATOM 924 CA PRO B 2 -7.365 -10.777 -1.028 1.00 0.00 C ATOM 925 C PRO B 2 -7.720 -10.391 0.426 1.00 0.00 C ATOM 926 O PRO B 2 -8.891 -10.457 0.803 1.00 0.00 O ATOM 927 CB PRO B 2 -7.271 -9.532 -1.921 1.00 0.00 C ATOM 928 CG PRO B 2 -7.616 -10.068 -3.308 1.00 0.00 C ATOM 929 CD PRO B 2 -8.700 -11.098 -2.989 1.00 0.00 C ATOM 0 HA PRO B 2 -6.418 -11.307 -0.928 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -7.968 -8.756 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.273 -9.093 -1.896 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -7.981 -9.283 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.753 -10.521 -3.797 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.687 -10.635 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.731 -11.882 -3.746 1.00 0.00 H new ATOM 937 N PRO B 3 -6.733 -9.960 1.243 1.00 0.00 N ATOM 938 CA PRO B 3 -6.935 -9.469 2.609 1.00 0.00 C ATOM 939 C PRO B 3 -7.997 -8.357 2.729 1.00 0.00 C ATOM 940 O PRO B 3 -8.270 -7.660 1.751 1.00 0.00 O ATOM 941 CB PRO B 3 -5.562 -8.943 3.058 1.00 0.00 C ATOM 942 CG PRO B 3 -4.579 -9.790 2.256 1.00 0.00 C ATOM 943 CD PRO B 3 -5.311 -9.971 0.927 1.00 0.00 C ATOM 0 HA PRO B 3 -7.315 -10.278 3.233 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.448 -7.881 2.840 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.416 -9.066 4.131 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -3.621 -9.287 2.127 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.375 -10.745 2.741 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -5.060 -9.170 0.232 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -5.025 -10.908 0.449 1.00 0.00 H new ATOM 951 N PRO B 4 -8.572 -8.138 3.927 1.00 0.00 N ATOM 952 CA PRO B 4 -9.451 -7.004 4.189 1.00 0.00 C ATOM 953 C PRO B 4 -8.643 -5.695 4.136 1.00 0.00 C ATOM 954 O PRO B 4 -7.585 -5.592 4.757 1.00 0.00 O ATOM 955 CB PRO B 4 -10.046 -7.264 5.579 1.00 0.00 C ATOM 956 CG PRO B 4 -8.958 -8.082 6.279 1.00 0.00 C ATOM 957 CD PRO B 4 -8.375 -8.922 5.140 1.00 0.00 C ATOM 0 HA PRO B 4 -10.243 -6.901 3.448 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -10.254 -6.334 6.108 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -10.986 -7.813 5.518 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.203 -7.442 6.736 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -9.369 -8.707 7.072 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -7.317 -9.126 5.306 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -8.878 -9.886 5.068 1.00 0.00 H new ATOM 965 N VAL B 5 -9.139 -4.703 3.382 1.00 0.00 N ATOM 966 CA VAL B 5 -8.520 -3.386 3.231 1.00 0.00 C ATOM 967 C VAL B 5 -8.718 -2.590 4.543 1.00 0.00 C ATOM 968 O VAL B 5 -9.864 -2.294 4.886 1.00 0.00 O ATOM 969 CB VAL B 5 -9.123 -2.666 2.001 1.00 0.00 C ATOM 970 CG1 VAL B 5 -8.526 -1.259 1.841 1.00 0.00 C ATOM 971 CG2 VAL B 5 -8.857 -3.456 0.706 1.00 0.00 C ATOM 0 H VAL B 5 -10.003 -4.801 2.849 1.00 0.00 H new ATOM 0 HA VAL B 5 -7.448 -3.477 3.053 1.00 0.00 H new ATOM 0 HB VAL B 5 -10.197 -2.595 2.171 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.966 -0.774 0.970 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.741 -0.669 2.732 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.447 -1.335 1.708 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.293 -2.925 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.782 -3.558 0.556 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -9.308 -4.445 0.784 1.00 0.00 H new ATOM 981 N PRO B 6 -7.649 -2.248 5.296 1.00 0.00 N ATOM 982 CA PRO B 6 -7.750 -1.584 6.600 1.00 0.00 C ATOM 983 C PRO B 6 -8.364 -0.172 6.535 1.00 0.00 C ATOM 984 O PRO B 6 -8.341 0.460 5.479 1.00 0.00 O ATOM 985 CB PRO B 6 -6.314 -1.514 7.146 1.00 0.00 C ATOM 986 CG PRO B 6 -5.569 -2.603 6.385 1.00 0.00 C ATOM 987 CD PRO B 6 -6.254 -2.564 5.023 1.00 0.00 C ATOM 0 HA PRO B 6 -8.423 -2.151 7.242 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -5.870 -0.533 6.974 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -6.288 -1.691 8.221 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.502 -2.392 6.311 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -5.669 -3.577 6.864 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.801 -1.812 4.377 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -6.162 -3.521 4.510 1.00 0.00 H new ATOM 995 N PRO B 7 -8.871 0.363 7.663 1.00 0.00 N ATOM 996 CA PRO B 7 -9.376 1.729 7.752 1.00 0.00 C ATOM 997 C PRO B 7 -8.223 2.751 7.767 1.00 0.00 C ATOM 998 O PRO B 7 -7.180 2.519 8.379 1.00 0.00 O ATOM 999 CB PRO B 7 -10.183 1.771 9.056 1.00 0.00 C ATOM 1000 CG PRO B 7 -9.449 0.765 9.943 1.00 0.00 C ATOM 1001 CD PRO B 7 -9.013 -0.313 8.946 1.00 0.00 C ATOM 0 HA PRO B 7 -9.989 1.994 6.891 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -10.189 2.768 9.496 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -11.223 1.486 8.897 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -8.596 1.218 10.448 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -10.099 0.360 10.718 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -8.072 -0.771 9.252 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -9.752 -1.112 8.887 1.00 0.00 H new ATOM 1009 N ARG B 8 -8.433 3.898 7.107 1.00 0.00 N ATOM 1010 CA ARG B 8 -7.527 5.050 7.126 1.00 0.00 C ATOM 1011 C ARG B 8 -7.494 5.754 8.498 1.00 0.00 C ATOM 1012 O ARG B 8 -6.462 6.307 8.869 1.00 0.00 O ATOM 1013 CB ARG B 8 -7.956 6.074 6.059 1.00 0.00 C ATOM 1014 CG ARG B 8 -7.967 5.535 4.620 1.00 0.00 C ATOM 1015 CD ARG B 8 -8.346 6.678 3.666 1.00 0.00 C ATOM 1016 NE ARG B 8 -8.477 6.218 2.274 1.00 0.00 N ATOM 1017 CZ ARG B 8 -8.700 7.006 1.208 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -8.801 8.334 1.320 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -8.813 6.453 0.004 1.00 0.00 N ATOM 0 H ARG B 8 -9.260 4.052 6.530 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.528 4.667 6.916 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -8.954 6.437 6.304 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.284 6.931 6.106 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.987 5.135 4.359 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.680 4.716 4.529 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.287 7.123 3.990 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.588 7.460 3.719 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.391 5.216 2.104 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.708 8.777 2.234 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.971 8.904 0.491 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.730 5.442 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.982 7.040 -0.813 1.00 0.00 H new ATOM 1033 N ARG B 9 -8.636 5.759 9.206 1.00 0.00 N ATOM 1034 CA ARG B 9 -8.953 6.516 10.421 1.00 0.00 C ATOM 1035 C ARG B 9 -9.412 7.947 10.078 1.00 0.00 C ATOM 1036 O ARG B 9 -9.114 8.471 9.004 1.00 0.00 O ATOM 1037 CB ARG B 9 -7.823 6.546 11.471 1.00 0.00 C ATOM 1038 CG ARG B 9 -7.262 5.173 11.873 1.00 0.00 C ATOM 1039 CD ARG B 9 -6.484 5.326 13.192 1.00 0.00 C ATOM 1040 NE ARG B 9 -5.566 4.207 13.454 1.00 0.00 N ATOM 1041 CZ ARG B 9 -5.882 2.977 13.888 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -7.155 2.588 14.013 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -4.906 2.124 14.209 1.00 0.00 N ATOM 0 H ARG B 9 -9.426 5.183 8.915 1.00 0.00 H new ATOM 0 HA ARG B 9 -9.774 5.972 10.888 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.006 7.154 11.084 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -8.195 7.044 12.366 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -8.072 4.454 11.993 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.608 4.788 11.091 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -5.916 6.256 13.166 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.192 5.408 14.017 1.00 0.00 H new ATOM 0 HE ARG B 9 -4.576 4.386 13.287 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -7.910 3.231 13.776 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -7.371 1.648 14.345 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -3.931 2.410 14.123 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -5.136 1.187 14.540 1.00 0.00 H new ATOM 1057 N ARG B 10 -10.137 8.577 11.014 1.00 0.00 N ATOM 1058 CA ARG B 10 -10.627 9.951 10.916 1.00 0.00 C ATOM 1059 C ARG B 10 -10.879 10.502 12.328 1.00 0.00 C ATOM 1060 O ARG B 10 -10.241 11.522 12.672 1.00 0.00 O ATOM 1061 CB ARG B 10 -11.900 9.994 10.050 1.00 0.00 C ATOM 1062 CG ARG B 10 -12.388 11.436 9.822 1.00 0.00 C ATOM 1063 CD ARG B 10 -13.673 11.478 8.984 1.00 0.00 C ATOM 1064 NE ARG B 10 -14.804 10.867 9.705 1.00 0.00 N ATOM 1065 CZ ARG B 10 -16.050 10.699 9.230 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -16.384 11.097 7.998 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -16.976 10.124 10.002 1.00 0.00 N ATOM 1068 OXT ARG B 10 -11.713 9.898 13.040 1.00 0.00 O ATOM 0 H ARG B 10 -10.405 8.125 11.888 1.00 0.00 H new ATOM 0 HA ARG B 10 -9.880 10.581 10.433 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -11.701 9.521 9.088 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.688 9.416 10.533 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -12.566 11.916 10.784 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.608 12.008 9.320 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -13.914 12.512 8.735 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -13.513 10.953 8.043 1.00 0.00 H new ATOM 0 HE ARG B 10 -14.624 10.541 10.654 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -15.687 11.538 7.398 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -17.336 10.959 7.658 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -16.735 9.816 10.944 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -17.924 9.993 9.649 1.00 0.00 H new TER 1082 ARG B 10