USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 119:sc= 0.571 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.201) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.01 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0.982) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.116 USER MOD Single : A 25 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.099) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 0.779 (180deg=0.259) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.143) USER MOD Single : A 31 GLN : amide:sc= -0.852 K(o=-0.85,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00864 K(o=-0.0086,f=-0.7) USER MOD Single : A 41 GLN : amide:sc= 0.667 K(o=0.67,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.09 K(o=1.1,f=-6.5!) USER MOD Single : A 55 THR OG1 : rot -65:sc= 0.975 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.0693 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.747 K(o=-0.75,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.25 (180deg=-0.133) USER MOD Single : A 65 SER OG : rot -104:sc= 0.141 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.671 K(o=0.67,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.524 2.589 -7.887 1.00 9.67 N ATOM 2 CA MET A 1 -11.789 3.006 -6.492 1.00 10.38 C ATOM 3 C MET A 1 -10.601 3.739 -5.970 1.00 9.62 C ATOM 4 O MET A 1 -9.500 3.560 -6.489 1.00 9.62 O ATOM 5 CB MET A 1 -12.201 1.867 -5.544 1.00 13.77 C ATOM 6 CG MET A 1 -11.004 1.130 -4.939 1.00 16.29 C ATOM 7 SD MET A 1 -11.614 -0.278 -3.964 1.00 17.17 S ATOM 8 CE MET A 1 -10.042 -1.146 -3.692 1.00 16.11 C ATOM 0 H1 MET A 1 -12.342 2.062 -8.253 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.363 3.431 -8.476 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.681 1.981 -7.913 1.00 9.67 H new ATOM 0 HA MET A 1 -12.661 3.659 -6.522 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.814 2.275 -4.740 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.822 1.155 -6.088 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.337 0.782 -5.728 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.426 1.804 -4.307 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.118 -1.766 -2.799 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.821 -1.776 -4.553 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.242 -0.417 -3.561 1.00 16.11 H new ATOM 20 N GLN A 2 -10.693 4.554 -4.904 1.00 9.27 N ATOM 21 CA GLN A 2 -9.631 5.304 -4.309 1.00 9.07 C ATOM 22 C GLN A 2 -9.212 4.513 -3.118 1.00 8.72 C ATOM 23 O GLN A 2 -10.075 4.054 -2.371 1.00 8.22 O ATOM 24 CB GLN A 2 -10.212 6.648 -3.836 1.00 14.46 C ATOM 25 CG GLN A 2 -10.190 7.685 -4.960 1.00 17.01 C ATOM 26 CD GLN A 2 -10.763 9.009 -4.474 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.399 9.159 -3.432 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.477 10.074 -5.269 1.00 19.49 N ATOM 0 H GLN A 2 -11.580 4.699 -4.422 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.801 5.484 -4.992 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.236 6.504 -3.491 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.638 7.017 -2.986 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.168 7.830 -5.309 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.768 7.322 -5.810 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.949 9.940 -6.131 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.790 11.008 -5.003 1.00 19.49 H new ATOM 37 N ILE A 3 -7.941 4.123 -2.916 1.00 5.87 N ATOM 38 CA ILE A 3 -7.480 3.757 -1.613 1.00 5.07 C ATOM 39 C ILE A 3 -6.316 4.643 -1.328 1.00 4.01 C ATOM 40 O ILE A 3 -5.684 5.265 -2.181 1.00 4.61 O ATOM 41 CB ILE A 3 -6.999 2.338 -1.548 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.853 1.946 -2.496 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.248 1.440 -1.570 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.991 0.792 -1.983 1.00 10.83 C ATOM 0 H ILE A 3 -7.236 4.061 -3.650 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.299 3.858 -0.901 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.461 2.189 -0.612 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.273 1.670 -3.463 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.217 2.816 -2.661 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.945 0.394 -1.524 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.879 1.673 -0.712 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.806 1.616 -2.489 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.205 0.575 -2.707 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.540 1.070 -1.030 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.612 -0.093 -1.846 1.00 10.83 H new ATOM 56 N PHE A 4 -5.968 4.813 -0.040 1.00 4.55 N ATOM 57 CA PHE A 4 -4.953 5.741 0.350 1.00 4.68 C ATOM 58 C PHE A 4 -3.741 5.054 0.878 1.00 5.30 C ATOM 59 O PHE A 4 -3.767 4.086 1.637 1.00 5.58 O ATOM 60 CB PHE A 4 -5.481 6.597 1.515 1.00 4.83 C ATOM 61 CG PHE A 4 -6.679 7.335 1.024 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.550 8.260 0.015 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.867 7.237 1.709 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.604 9.046 -0.387 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.940 8.013 1.340 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.795 8.876 0.279 1.00 8.90 C ATOM 0 H PHE A 4 -6.393 4.304 0.735 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.700 6.326 -0.535 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.741 5.967 2.366 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.715 7.294 1.856 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.594 8.372 -0.475 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.957 6.550 2.537 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.501 9.763 -1.188 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -9.877 7.946 1.872 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.654 9.445 -0.045 1.00 8.90 H new ATOM 76 N VAL A 5 -2.613 5.611 0.404 1.00 4.44 N ATOM 77 CA VAL A 5 -1.351 5.236 0.963 1.00 3.87 C ATOM 78 C VAL A 5 -0.770 6.391 1.703 1.00 4.93 C ATOM 79 O VAL A 5 -0.696 7.543 1.278 1.00 6.84 O ATOM 80 CB VAL A 5 -0.434 4.676 -0.084 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.950 4.521 0.568 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.975 3.313 -0.548 1.00 9.13 C ATOM 0 H VAL A 5 -2.572 6.302 -0.345 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.495 4.429 1.682 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.367 5.328 -0.955 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.652 4.115 -0.160 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.303 5.494 0.908 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.878 3.844 1.419 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.314 2.899 -1.309 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.021 2.632 0.302 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.974 3.441 -0.965 1.00 9.13 H new ATOM 92 N LYS A 6 -0.429 6.178 2.986 1.00 6.04 N ATOM 93 CA LYS A 6 0.195 7.160 3.818 1.00 6.12 C ATOM 94 C LYS A 6 1.628 6.820 4.043 1.00 6.57 C ATOM 95 O LYS A 6 1.976 5.720 4.469 1.00 5.76 O ATOM 96 CB LYS A 6 -0.585 7.389 5.124 1.00 7.45 C ATOM 97 CG LYS A 6 0.055 8.274 6.196 1.00 11.12 C ATOM 98 CD LYS A 6 -0.848 8.359 7.429 1.00 14.54 C ATOM 99 CE LYS A 6 -0.380 9.237 8.591 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.383 9.305 9.677 1.00 20.55 N ATOM 0 H LYS A 6 -0.593 5.291 3.461 1.00 6.04 H new ATOM 0 HA LYS A 6 0.172 8.116 3.296 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.550 7.823 4.865 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.783 6.414 5.570 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.027 7.870 6.477 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.229 9.273 5.795 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.824 8.721 7.106 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.993 7.348 7.809 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.556 8.844 8.987 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.174 10.243 8.225 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.025 9.910 10.443 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.269 9.704 9.307 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.561 8.349 10.045 1.00 20.55 H new ATOM 114 N THR A 7 2.497 7.790 3.704 1.00 7.41 N ATOM 115 CA THR A 7 3.914 7.619 3.799 1.00 7.48 C ATOM 116 C THR A 7 4.424 8.032 5.137 1.00 8.75 C ATOM 117 O THR A 7 3.759 8.663 5.957 1.00 8.58 O ATOM 118 CB THR A 7 4.717 8.300 2.731 1.00 9.61 C ATOM 119 OG1 THR A 7 4.527 9.706 2.673 1.00 11.78 O ATOM 120 CG2 THR A 7 4.183 7.820 1.371 1.00 9.17 C ATOM 0 H THR A 7 2.212 8.706 3.359 1.00 7.41 H new ATOM 0 HA THR A 7 4.056 6.549 3.649 1.00 7.48 H new ATOM 0 HB THR A 7 5.760 8.070 2.950 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.380 10.159 2.839 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.747 8.298 0.570 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.294 6.738 1.298 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.129 8.084 1.280 1.00 9.17 H new ATOM 128 N LEU A 8 5.659 7.596 5.443 1.00 9.84 N ATOM 129 CA LEU A 8 6.349 7.842 6.672 1.00 14.15 C ATOM 130 C LEU A 8 6.673 9.277 6.908 1.00 17.37 C ATOM 131 O LEU A 8 6.700 9.778 8.031 1.00 17.01 O ATOM 132 CB LEU A 8 7.670 7.057 6.635 1.00 16.63 C ATOM 133 CG LEU A 8 7.553 5.533 6.810 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.882 4.811 6.534 1.00 18.59 C ATOM 135 CD2 LEU A 8 6.975 5.129 8.177 1.00 19.31 C ATOM 0 H LEU A 8 6.210 7.037 4.791 1.00 9.84 H new ATOM 0 HA LEU A 8 5.687 7.530 7.479 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.162 7.257 5.683 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.322 7.444 7.418 1.00 16.63 H new ATOM 0 HG LEU A 8 6.838 5.206 6.056 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.748 3.738 6.671 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.198 5.010 5.510 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.643 5.173 7.225 1.00 18.59 H new ATOM 0 HD21 LEU A 8 6.917 4.042 8.241 1.00 19.31 H new ATOM 0 HD22 LEU A 8 7.621 5.505 8.971 1.00 19.31 H new ATOM 0 HD23 LEU A 8 5.977 5.553 8.290 1.00 19.31 H new ATOM 147 N THR A 9 7.076 9.927 5.801 1.00 18.33 N ATOM 148 CA THR A 9 7.546 11.270 5.658 1.00 19.24 C ATOM 149 C THR A 9 6.345 12.140 5.797 1.00 19.48 C ATOM 150 O THR A 9 6.463 13.204 6.402 1.00 23.14 O ATOM 151 CB THR A 9 8.278 11.553 4.379 1.00 18.97 C ATOM 152 OG1 THR A 9 7.467 10.990 3.358 1.00 20.24 O ATOM 153 CG2 THR A 9 9.632 10.825 4.326 1.00 19.70 C ATOM 0 H THR A 9 7.070 9.449 4.900 1.00 18.33 H new ATOM 0 HA THR A 9 8.298 11.463 6.423 1.00 19.24 H new ATOM 0 HB THR A 9 8.459 12.623 4.279 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.888 11.141 2.486 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.132 11.055 3.385 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.255 11.154 5.158 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.470 9.750 4.398 1.00 19.70 H new ATOM 161 N GLY A 10 5.178 11.651 5.341 1.00 19.43 N ATOM 162 CA GLY A 10 3.900 12.155 5.740 1.00 18.74 C ATOM 163 C GLY A 10 3.082 12.768 4.657 1.00 17.62 C ATOM 164 O GLY A 10 2.675 13.927 4.709 1.00 19.74 O ATOM 0 H GLY A 10 5.122 10.881 4.674 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.330 11.338 6.183 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.051 12.899 6.522 1.00 18.74 H new ATOM 168 N LYS A 11 2.935 12.097 3.500 1.00 13.56 N ATOM 169 CA LYS A 11 2.037 12.381 2.424 1.00 11.91 C ATOM 170 C LYS A 11 0.982 11.329 2.407 1.00 10.18 C ATOM 171 O LYS A 11 1.292 10.141 2.333 1.00 9.10 O ATOM 172 CB LYS A 11 2.757 12.296 1.068 1.00 13.43 C ATOM 173 CG LYS A 11 3.955 13.183 0.726 1.00 16.69 C ATOM 174 CD LYS A 11 4.350 12.985 -0.739 1.00 17.92 C ATOM 175 CE LYS A 11 5.647 13.697 -1.129 1.00 20.81 C ATOM 176 NZ LYS A 11 6.089 13.328 -2.492 1.00 21.93 N ATOM 0 H LYS A 11 3.503 11.274 3.301 1.00 13.56 H new ATOM 0 HA LYS A 11 1.632 13.382 2.571 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.088 11.264 0.953 1.00 13.43 H new ATOM 0 HB3 LYS A 11 2.004 12.477 0.301 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.707 14.229 0.906 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.796 12.938 1.375 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.458 11.918 -0.936 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.542 13.346 -1.376 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.500 14.776 -1.074 1.00 20.81 H new ATOM 0 HE3 LYS A 11 6.429 13.445 -0.413 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 7.005 13.777 -2.693 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.189 12.295 -2.557 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.385 13.652 -3.185 1.00 21.93 H new ATOM 190 N THR A 12 -0.318 11.671 2.442 1.00 9.63 N ATOM 191 CA THR A 12 -1.457 10.831 2.236 1.00 9.85 C ATOM 192 C THR A 12 -1.917 10.839 0.818 1.00 11.66 C ATOM 193 O THR A 12 -2.661 11.718 0.387 1.00 12.33 O ATOM 194 CB THR A 12 -2.591 11.170 3.157 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.170 11.061 4.509 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.865 10.310 3.082 1.00 9.63 C ATOM 0 H THR A 12 -0.597 12.633 2.634 1.00 9.63 H new ATOM 0 HA THR A 12 -1.126 9.820 2.474 1.00 9.85 H new ATOM 0 HB THR A 12 -2.853 12.173 2.820 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.916 11.286 5.103 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.594 10.675 3.806 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.287 10.372 2.079 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.618 9.273 3.308 1.00 9.63 H new ATOM 204 N ILE A 13 -1.457 9.852 0.029 1.00 10.42 N ATOM 205 CA ILE A 13 -1.356 9.757 -1.394 1.00 11.84 C ATOM 206 C ILE A 13 -2.477 8.885 -1.845 1.00 10.55 C ATOM 207 O ILE A 13 -2.683 7.739 -1.448 1.00 11.92 O ATOM 208 CB ILE A 13 -0.041 9.213 -1.868 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.078 10.178 -1.442 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.006 9.015 -3.392 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.452 9.509 -1.444 1.00 16.46 C ATOM 0 H ILE A 13 -1.105 8.997 0.460 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.417 10.758 -1.822 1.00 11.84 H new ATOM 0 HB ILE A 13 0.103 8.232 -1.414 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.092 11.035 -2.116 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.864 10.561 -0.444 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.967 8.620 -3.685 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.787 8.313 -3.686 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.173 9.972 -3.887 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.209 10.231 -1.136 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.449 8.669 -0.750 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.680 9.150 -2.447 1.00 16.46 H new ATOM 223 N THR A 14 -3.310 9.372 -2.782 1.00 9.39 N ATOM 224 CA THR A 14 -4.381 8.637 -3.381 1.00 9.63 C ATOM 225 C THR A 14 -3.961 7.735 -4.489 1.00 11.20 C ATOM 226 O THR A 14 -3.361 8.128 -5.488 1.00 11.63 O ATOM 227 CB THR A 14 -5.529 9.452 -3.897 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.888 10.523 -3.035 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.867 8.698 -3.979 1.00 11.66 C ATOM 0 H THR A 14 -3.233 10.324 -3.139 1.00 9.39 H new ATOM 0 HA THR A 14 -4.721 8.058 -2.523 1.00 9.63 H new ATOM 0 HB THR A 14 -5.142 9.756 -4.870 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.639 11.018 -3.424 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.638 9.366 -4.362 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.763 7.843 -4.647 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.150 8.350 -2.986 1.00 11.66 H new ATOM 237 N LEU A 15 -4.171 6.408 -4.414 1.00 8.29 N ATOM 238 CA LEU A 15 -3.919 5.453 -5.448 1.00 9.03 C ATOM 239 C LEU A 15 -5.214 4.988 -6.021 1.00 8.59 C ATOM 240 O LEU A 15 -6.196 4.970 -5.281 1.00 7.79 O ATOM 241 CB LEU A 15 -3.223 4.208 -4.873 1.00 11.08 C ATOM 242 CG LEU A 15 -1.754 4.408 -4.461 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.902 4.886 -5.649 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.433 5.385 -3.318 1.00 15.88 C ATOM 0 H LEU A 15 -4.543 5.973 -3.570 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.293 5.932 -6.201 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.784 3.868 -4.003 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.270 3.411 -5.615 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.519 3.408 -4.097 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.131 5.018 -5.326 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -0.941 4.144 -6.446 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.291 5.835 -6.017 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.356 5.410 -3.153 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.783 6.383 -3.583 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.932 5.056 -2.407 1.00 15.88 H new ATOM 256 N GLU A 16 -5.284 4.754 -7.343 1.00 11.04 N ATOM 257 CA GLU A 16 -6.378 4.367 -8.178 1.00 11.50 C ATOM 258 C GLU A 16 -6.216 2.970 -8.671 1.00 10.13 C ATOM 259 O GLU A 16 -5.374 2.592 -9.484 1.00 9.83 O ATOM 260 CB GLU A 16 -6.618 5.393 -9.298 1.00 17.22 C ATOM 261 CG GLU A 16 -7.953 5.285 -10.037 1.00 23.33 C ATOM 262 CD GLU A 16 -8.141 6.398 -11.058 1.00 26.99 C ATOM 263 OE1 GLU A 16 -7.375 6.558 -12.046 1.00 28.90 O ATOM 264 OE2 GLU A 16 -9.061 7.225 -10.820 1.00 28.86 O ATOM 0 H GLU A 16 -4.439 4.854 -7.906 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.287 4.366 -7.576 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -6.544 6.392 -8.869 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -5.814 5.298 -10.028 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.010 4.320 -10.541 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.769 5.316 -9.315 1.00 23.33 H new ATOM 271 N VAL A 17 -7.044 2.122 -8.035 1.00 8.99 N ATOM 272 CA VAL A 17 -6.917 0.709 -8.213 1.00 8.85 C ATOM 273 C VAL A 17 -8.275 0.144 -8.451 1.00 8.04 C ATOM 274 O VAL A 17 -9.219 0.880 -8.171 1.00 8.99 O ATOM 275 CB VAL A 17 -6.268 0.135 -6.988 1.00 9.78 C ATOM 276 CG1 VAL A 17 -4.780 0.439 -6.745 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.997 0.429 -5.666 1.00 10.54 C ATOM 0 H VAL A 17 -7.793 2.410 -7.405 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.293 0.460 -9.071 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.351 -0.917 -7.262 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.456 -0.044 -5.823 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.190 0.060 -7.580 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -4.638 1.516 -6.660 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.451 -0.027 -4.840 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.052 1.507 -5.513 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.005 0.016 -5.707 1.00 10.54 H new ATOM 287 N GLU A 18 -8.391 -1.040 -9.078 1.00 7.29 N ATOM 288 CA GLU A 18 -9.562 -1.854 -8.972 1.00 7.08 C ATOM 289 C GLU A 18 -9.518 -2.801 -7.822 1.00 6.45 C ATOM 290 O GLU A 18 -8.465 -3.063 -7.243 1.00 5.28 O ATOM 291 CB GLU A 18 -9.771 -2.553 -10.326 1.00 10.28 C ATOM 292 CG GLU A 18 -10.246 -1.528 -11.357 1.00 12.65 C ATOM 293 CD GLU A 18 -11.750 -1.632 -11.565 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.542 -1.094 -10.745 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.210 -2.242 -12.567 1.00 14.33 O ATOM 0 H GLU A 18 -7.661 -1.439 -9.668 1.00 7.29 H new ATOM 0 HA GLU A 18 -10.424 -1.224 -8.751 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -8.841 -3.015 -10.657 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -10.505 -3.352 -10.226 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -9.989 -0.523 -11.023 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -9.731 -1.691 -12.304 1.00 12.65 H new ATOM 302 N PRO A 19 -10.521 -3.491 -7.368 1.00 7.24 N ATOM 303 CA PRO A 19 -10.371 -4.428 -6.292 1.00 7.07 C ATOM 304 C PRO A 19 -9.608 -5.650 -6.671 1.00 6.65 C ATOM 305 O PRO A 19 -9.030 -6.216 -5.745 1.00 6.37 O ATOM 306 CB PRO A 19 -11.795 -4.700 -5.812 1.00 7.61 C ATOM 307 CG PRO A 19 -12.618 -4.599 -7.106 1.00 8.16 C ATOM 308 CD PRO A 19 -11.879 -3.504 -7.891 1.00 7.49 C ATOM 0 HA PRO A 19 -9.758 -4.025 -5.486 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -11.885 -5.684 -5.351 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.118 -3.970 -5.070 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -12.637 -5.544 -7.649 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.654 -4.325 -6.907 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -11.885 -3.717 -8.960 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.359 -2.535 -7.757 1.00 7.49 H new ATOM 316 N SER A 20 -9.579 -6.006 -7.968 1.00 6.80 N ATOM 317 CA SER A 20 -8.817 -7.168 -8.306 1.00 6.28 C ATOM 318 C SER A 20 -7.436 -6.923 -8.809 1.00 8.45 C ATOM 319 O SER A 20 -6.766 -7.841 -9.280 1.00 7.26 O ATOM 320 CB SER A 20 -9.438 -8.017 -9.428 1.00 8.57 C ATOM 321 OG SER A 20 -10.634 -8.647 -8.992 1.00 11.13 O ATOM 0 H SER A 20 -10.048 -5.528 -8.737 1.00 6.80 H new ATOM 0 HA SER A 20 -8.806 -7.664 -7.336 1.00 6.28 H new ATOM 0 HB2 SER A 20 -9.650 -7.386 -10.291 1.00 8.57 H new ATOM 0 HB3 SER A 20 -8.723 -8.773 -9.754 1.00 8.57 H new ATOM 0 HG SER A 20 -11.009 -9.179 -9.725 1.00 11.13 H new ATOM 327 N ASP A 21 -6.881 -5.716 -8.602 1.00 7.50 N ATOM 328 CA ASP A 21 -5.505 -5.337 -8.692 1.00 7.70 C ATOM 329 C ASP A 21 -4.766 -6.006 -7.586 1.00 7.08 C ATOM 330 O ASP A 21 -5.321 -6.133 -6.495 1.00 8.11 O ATOM 331 CB ASP A 21 -5.315 -3.817 -8.547 1.00 11.00 C ATOM 332 CG ASP A 21 -5.818 -3.200 -9.844 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.072 -3.954 -10.821 1.00 18.03 O ATOM 334 OD2 ASP A 21 -5.928 -1.952 -9.981 1.00 14.36 O ATOM 0 H ASP A 21 -7.464 -4.920 -8.343 1.00 7.50 H new ATOM 0 HA ASP A 21 -5.132 -5.635 -9.672 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -5.873 -3.435 -7.692 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -4.267 -3.570 -8.379 1.00 11.00 H new ATOM 339 N THR A 22 -3.571 -6.565 -7.851 1.00 5.37 N ATOM 340 CA THR A 22 -2.735 -7.317 -6.968 1.00 6.01 C ATOM 341 C THR A 22 -1.998 -6.338 -6.121 1.00 8.01 C ATOM 342 O THR A 22 -1.994 -5.129 -6.345 1.00 8.11 O ATOM 343 CB THR A 22 -1.862 -8.426 -7.475 1.00 8.92 C ATOM 344 OG1 THR A 22 -0.981 -7.967 -8.489 1.00 10.22 O ATOM 345 CG2 THR A 22 -2.744 -9.515 -8.109 1.00 9.65 C ATOM 0 H THR A 22 -3.151 -6.480 -8.777 1.00 5.37 H new ATOM 0 HA THR A 22 -3.434 -7.947 -6.418 1.00 6.01 H new ATOM 0 HB THR A 22 -1.289 -8.806 -6.630 1.00 8.92 H new ATOM 0 HG1 THR A 22 -0.538 -8.734 -8.909 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.114 -10.324 -8.479 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.434 -9.906 -7.361 1.00 9.65 H new ATOM 0 HG23 THR A 22 -3.310 -9.088 -8.937 1.00 9.65 H new ATOM 353 N ILE A 23 -1.336 -6.818 -5.053 1.00 8.32 N ATOM 354 CA ILE A 23 -0.517 -6.004 -4.209 1.00 9.92 C ATOM 355 C ILE A 23 0.734 -5.778 -4.986 1.00 10.01 C ATOM 356 O ILE A 23 1.233 -4.657 -4.897 1.00 8.71 O ATOM 357 CB ILE A 23 -0.284 -6.667 -2.884 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.514 -6.640 -1.961 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.857 -5.984 -2.112 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.018 -5.295 -1.438 1.00 12.30 C ATOM 0 H ILE A 23 -1.371 -7.797 -4.769 1.00 8.32 H new ATOM 0 HA ILE A 23 -0.985 -5.052 -3.956 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.041 -7.700 -3.134 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.337 -7.115 -2.495 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.291 -7.266 -1.097 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.002 -6.487 -1.156 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.776 -6.041 -2.695 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.603 -4.939 -1.937 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.890 -5.455 -0.803 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.231 -4.812 -0.859 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.293 -4.658 -2.278 1.00 12.30 H new ATOM 372 N GLU A 24 1.242 -6.730 -5.790 1.00 9.54 N ATOM 373 CA GLU A 24 2.183 -6.544 -6.850 1.00 11.81 C ATOM 374 C GLU A 24 1.948 -5.389 -7.762 1.00 11.14 C ATOM 375 O GLU A 24 2.837 -4.608 -8.097 1.00 10.62 O ATOM 376 CB GLU A 24 2.378 -7.857 -7.627 1.00 19.24 C ATOM 377 CG GLU A 24 3.381 -7.755 -8.778 1.00 27.76 C ATOM 378 CD GLU A 24 3.598 -9.096 -9.464 1.00 32.92 C ATOM 379 OE1 GLU A 24 4.325 -9.965 -8.913 1.00 36.51 O ATOM 380 OE2 GLU A 24 2.934 -9.357 -10.503 1.00 34.80 O ATOM 0 H GLU A 24 0.971 -7.708 -5.689 1.00 9.54 H new ATOM 0 HA GLU A 24 3.108 -6.264 -6.346 1.00 11.81 H new ATOM 0 HB2 GLU A 24 2.712 -8.631 -6.935 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.415 -8.178 -8.025 1.00 19.24 H new ATOM 0 HG2 GLU A 24 3.024 -7.028 -9.507 1.00 27.76 H new ATOM 0 HG3 GLU A 24 4.333 -7.384 -8.398 1.00 27.76 H new ATOM 387 N ASN A 25 0.720 -5.154 -8.258 1.00 9.43 N ATOM 388 CA ASN A 25 0.433 -3.980 -9.023 1.00 10.96 C ATOM 389 C ASN A 25 0.469 -2.749 -8.184 1.00 9.68 C ATOM 390 O ASN A 25 0.849 -1.695 -8.691 1.00 9.33 O ATOM 391 CB ASN A 25 -0.993 -3.873 -9.587 1.00 16.78 C ATOM 392 CG ASN A 25 -1.464 -4.880 -10.626 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.663 -5.115 -10.764 1.00 25.66 O ATOM 394 ND2 ASN A 25 -0.487 -5.483 -11.356 1.00 24.70 N ATOM 0 H ASN A 25 -0.076 -5.779 -8.129 1.00 9.43 H new ATOM 0 HA ASN A 25 1.186 -4.060 -9.807 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -1.683 -3.926 -8.744 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.098 -2.880 -10.023 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -0.733 -6.173 -12.065 1.00 24.70 H new ATOM 0 HD22 ASN A 25 0.491 -5.245 -11.194 1.00 24.70 H new ATOM 401 N VAL A 26 0.098 -2.804 -6.892 1.00 6.52 N ATOM 402 CA VAL A 26 0.196 -1.640 -6.068 1.00 5.53 C ATOM 403 C VAL A 26 1.568 -1.100 -5.852 1.00 4.42 C ATOM 404 O VAL A 26 1.846 0.095 -5.940 1.00 3.40 O ATOM 405 CB VAL A 26 -0.572 -1.878 -4.801 1.00 3.86 C ATOM 406 CG1 VAL A 26 -0.335 -0.738 -3.796 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.081 -2.106 -4.991 1.00 8.12 C ATOM 0 H VAL A 26 -0.263 -3.636 -6.426 1.00 6.52 H new ATOM 0 HA VAL A 26 -0.261 -0.820 -6.622 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.179 -2.816 -4.409 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -0.902 -0.932 -2.885 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.727 -0.679 -3.557 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -0.662 0.206 -4.233 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -2.549 -2.269 -4.020 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -2.524 -1.231 -5.466 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.240 -2.980 -5.622 1.00 8.12 H new ATOM 417 N LYS A 27 2.577 -1.974 -5.690 1.00 2.64 N ATOM 418 CA LYS A 27 3.934 -1.529 -5.608 1.00 4.14 C ATOM 419 C LYS A 27 4.535 -1.022 -6.874 1.00 5.58 C ATOM 420 O LYS A 27 5.395 -0.143 -6.869 1.00 4.11 O ATOM 421 CB LYS A 27 4.841 -2.726 -5.275 1.00 3.97 C ATOM 422 CG LYS A 27 4.664 -3.122 -3.808 1.00 7.45 C ATOM 423 CD LYS A 27 5.490 -4.366 -3.475 1.00 9.02 C ATOM 424 CE LYS A 27 5.767 -4.645 -1.997 1.00 12.90 C ATOM 425 NZ LYS A 27 6.565 -5.889 -1.913 1.00 15.47 N ATOM 0 H LYS A 27 2.455 -2.984 -5.616 1.00 2.64 H new ATOM 0 HA LYS A 27 3.887 -0.728 -4.870 1.00 4.14 H new ATOM 0 HB2 LYS A 27 4.596 -3.570 -5.920 1.00 3.97 H new ATOM 0 HB3 LYS A 27 5.882 -2.469 -5.468 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.968 -2.296 -3.165 1.00 7.45 H new ATOM 0 HG3 LYS A 27 3.611 -3.314 -3.604 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.978 -5.233 -3.893 1.00 9.02 H new ATOM 0 HD3 LYS A 27 6.448 -4.283 -3.989 1.00 9.02 H new ATOM 0 HE2 LYS A 27 6.308 -3.813 -1.546 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.832 -4.753 -1.447 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 7.090 -5.905 -1.015 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.931 -6.712 -1.957 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 7.236 -5.926 -2.707 1.00 15.47 H new ATOM 439 N ALA A 28 3.988 -1.422 -8.036 1.00 6.61 N ATOM 440 CA ALA A 28 4.321 -0.894 -9.323 1.00 7.74 C ATOM 441 C ALA A 28 3.848 0.499 -9.556 1.00 9.17 C ATOM 442 O ALA A 28 4.635 1.262 -10.114 1.00 11.45 O ATOM 443 CB ALA A 28 3.881 -1.841 -10.452 1.00 7.68 C ATOM 0 H ALA A 28 3.277 -2.152 -8.080 1.00 6.61 H new ATOM 0 HA ALA A 28 5.409 -0.829 -9.335 1.00 7.74 H new ATOM 0 HB1 ALA A 28 4.150 -1.408 -11.416 1.00 7.68 H new ATOM 0 HB2 ALA A 28 4.379 -2.803 -10.335 1.00 7.68 H new ATOM 0 HB3 ALA A 28 2.801 -1.984 -10.407 1.00 7.68 H new ATOM 449 N LYS A 29 2.676 0.884 -9.018 1.00 8.96 N ATOM 450 CA LYS A 29 2.172 2.216 -8.897 1.00 7.90 C ATOM 451 C LYS A 29 2.808 3.145 -7.920 1.00 6.92 C ATOM 452 O LYS A 29 3.136 4.282 -8.254 1.00 6.87 O ATOM 453 CB LYS A 29 0.657 2.208 -8.632 1.00 10.28 C ATOM 454 CG LYS A 29 -0.199 1.779 -9.825 1.00 14.94 C ATOM 455 CD LYS A 29 -1.648 1.449 -9.459 1.00 19.69 C ATOM 456 CE LYS A 29 -2.460 0.699 -10.516 1.00 22.63 C ATOM 457 NZ LYS A 29 -2.150 1.217 -11.867 1.00 24.98 N ATOM 0 H LYS A 29 2.025 0.199 -8.634 1.00 8.96 H new ATOM 0 HA LYS A 29 2.441 2.627 -9.870 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.452 1.539 -7.796 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.351 3.208 -8.323 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.194 2.576 -10.569 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.256 0.905 -10.291 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -1.643 0.854 -8.546 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.164 2.381 -9.229 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.236 -0.367 -10.468 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.525 0.810 -10.312 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -2.835 0.836 -12.551 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -2.207 2.255 -11.862 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -1.190 0.924 -12.139 1.00 24.98 H new ATOM 471 N ILE A 30 3.164 2.679 -6.710 1.00 4.57 N ATOM 472 CA ILE A 30 3.884 3.466 -5.757 1.00 5.58 C ATOM 473 C ILE A 30 5.268 3.770 -6.215 1.00 7.26 C ATOM 474 O ILE A 30 5.804 4.851 -5.975 1.00 9.46 O ATOM 475 CB ILE A 30 3.752 2.902 -4.373 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.278 2.797 -3.945 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.552 3.806 -3.421 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.061 2.034 -2.639 1.00 2.00 C ATOM 0 H ILE A 30 2.947 1.736 -6.387 1.00 4.57 H new ATOM 0 HA ILE A 30 3.423 4.451 -5.687 1.00 5.58 H new ATOM 0 HB ILE A 30 4.148 1.887 -4.345 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.869 3.802 -3.839 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.714 2.306 -4.738 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.476 3.421 -2.404 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.598 3.820 -3.726 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.150 4.819 -3.457 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.996 2.005 -2.407 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.437 1.017 -2.745 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.594 2.536 -1.832 1.00 2.00 H new ATOM 490 N GLN A 31 5.893 2.854 -6.976 1.00 7.06 N ATOM 491 CA GLN A 31 7.162 2.975 -7.624 1.00 8.67 C ATOM 492 C GLN A 31 7.229 3.986 -8.716 1.00 10.90 C ATOM 493 O GLN A 31 8.233 4.694 -8.779 1.00 9.63 O ATOM 494 CB GLN A 31 7.654 1.635 -8.197 1.00 9.12 C ATOM 495 CG GLN A 31 9.099 1.654 -8.697 1.00 10.76 C ATOM 496 CD GLN A 31 9.723 0.329 -9.112 1.00 13.78 C ATOM 497 OE1 GLN A 31 10.774 -0.056 -8.603 1.00 14.48 O ATOM 498 NE2 GLN A 31 9.117 -0.481 -10.021 1.00 14.76 N ATOM 0 H GLN A 31 5.468 1.944 -7.153 1.00 7.06 H new ATOM 0 HA GLN A 31 7.809 3.318 -6.816 1.00 8.67 H new ATOM 0 HB2 GLN A 31 7.558 0.868 -7.428 1.00 9.12 H new ATOM 0 HB3 GLN A 31 7.001 1.344 -9.020 1.00 9.12 H new ATOM 0 HG2 GLN A 31 9.149 2.330 -9.551 1.00 10.76 H new ATOM 0 HG3 GLN A 31 9.720 2.085 -7.912 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.244 -0.190 -10.461 1.00 14.76 H new ATOM 0 HE22 GLN A 31 9.536 -1.379 -10.263 1.00 14.76 H new ATOM 507 N ASP A 32 6.243 4.109 -9.623 1.00 10.93 N ATOM 508 CA ASP A 32 6.083 5.168 -10.570 1.00 14.01 C ATOM 509 C ASP A 32 5.514 6.436 -10.033 1.00 14.04 C ATOM 510 O ASP A 32 5.763 7.512 -10.574 1.00 13.39 O ATOM 511 CB ASP A 32 5.272 4.745 -11.807 1.00 18.01 C ATOM 512 CG ASP A 32 5.911 3.738 -12.752 1.00 24.33 C ATOM 513 OD1 ASP A 32 7.159 3.639 -12.605 1.00 26.29 O ATOM 514 OD2 ASP A 32 5.197 3.157 -13.611 1.00 25.17 O ATOM 0 H ASP A 32 5.501 3.413 -9.698 1.00 10.93 H new ATOM 0 HA ASP A 32 7.114 5.381 -10.853 1.00 14.01 H new ATOM 0 HB2 ASP A 32 4.325 4.330 -11.463 1.00 18.01 H new ATOM 0 HB3 ASP A 32 5.038 5.643 -12.379 1.00 18.01 H new ATOM 519 N LYS A 33 4.681 6.483 -8.978 1.00 14.22 N ATOM 520 CA LYS A 33 4.249 7.695 -8.353 1.00 14.00 C ATOM 521 C LYS A 33 5.363 8.288 -7.561 1.00 12.37 C ATOM 522 O LYS A 33 5.860 9.330 -7.985 1.00 12.17 O ATOM 523 CB LYS A 33 3.092 7.313 -7.414 1.00 18.62 C ATOM 524 CG LYS A 33 2.301 8.476 -6.812 1.00 24.00 C ATOM 525 CD LYS A 33 1.494 9.302 -7.817 1.00 27.61 C ATOM 526 CE LYS A 33 1.025 10.627 -7.215 1.00 27.64 C ATOM 527 NZ LYS A 33 0.278 11.362 -8.260 1.00 30.06 N ATOM 0 H LYS A 33 4.294 5.645 -8.544 1.00 14.22 H new ATOM 0 HA LYS A 33 3.936 8.429 -9.095 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.400 6.676 -7.964 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.496 6.714 -6.598 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.619 8.080 -6.060 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.995 9.138 -6.295 1.00 24.00 H new ATOM 0 HD2 LYS A 33 2.104 9.499 -8.699 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.629 8.727 -8.149 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.391 10.448 -6.347 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.877 11.213 -6.872 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.053 12.270 -7.876 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.901 11.537 -9.074 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.539 10.796 -8.565 1.00 30.06 H new ATOM 541 N GLU A 34 5.860 7.732 -6.441 1.00 10.11 N ATOM 542 CA GLU A 34 6.855 8.268 -5.566 1.00 10.07 C ATOM 543 C GLU A 34 8.218 8.003 -6.107 1.00 9.32 C ATOM 544 O GLU A 34 9.047 8.907 -6.188 1.00 11.61 O ATOM 545 CB GLU A 34 6.568 7.850 -4.114 1.00 14.77 C ATOM 546 CG GLU A 34 5.336 8.554 -3.541 1.00 18.75 C ATOM 547 CD GLU A 34 5.495 10.065 -3.440 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.223 10.839 -4.395 1.00 25.19 O ATOM 549 OE2 GLU A 34 5.893 10.509 -2.330 1.00 21.95 O ATOM 0 H GLU A 34 5.532 6.821 -6.120 1.00 10.11 H new ATOM 0 HA GLU A 34 6.813 9.356 -5.525 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.420 6.771 -4.071 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.435 8.078 -3.494 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.473 8.328 -4.168 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.125 8.151 -2.550 1.00 18.75 H new ATOM 556 N GLY A 35 8.566 6.770 -6.518 1.00 7.22 N ATOM 557 CA GLY A 35 9.898 6.379 -6.863 1.00 6.29 C ATOM 558 C GLY A 35 10.416 5.322 -5.950 1.00 6.93 C ATOM 559 O GLY A 35 11.613 5.046 -6.000 1.00 7.41 O ATOM 0 H GLY A 35 7.889 6.013 -6.614 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.916 6.014 -7.890 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.554 7.248 -6.823 1.00 6.29 H new ATOM 563 N ILE A 36 9.582 4.755 -5.058 1.00 5.86 N ATOM 564 CA ILE A 36 10.085 3.761 -4.162 1.00 6.07 C ATOM 565 C ILE A 36 10.168 2.373 -4.697 1.00 6.36 C ATOM 566 O ILE A 36 9.136 1.877 -5.146 1.00 6.18 O ATOM 567 CB ILE A 36 9.250 3.806 -2.917 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.862 5.212 -2.429 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.946 2.957 -1.840 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.970 5.973 -1.703 1.00 9.49 C ATOM 0 H ILE A 36 8.591 4.976 -4.958 1.00 5.86 H new ATOM 0 HA ILE A 36 11.128 4.013 -3.972 1.00 6.07 H new ATOM 0 HB ILE A 36 8.277 3.379 -3.158 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.539 5.802 -3.287 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.005 5.125 -1.762 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.355 2.975 -0.924 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.039 1.929 -2.191 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.937 3.364 -1.640 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.600 6.952 -1.398 1.00 9.49 H new ATOM 0 HD12 ILE A 36 10.280 5.412 -0.821 1.00 9.49 H new ATOM 0 HD13 ILE A 36 10.822 6.099 -2.371 1.00 9.49 H new ATOM 582 N PRO A 37 11.290 1.724 -4.604 1.00 8.65 N ATOM 583 CA PRO A 37 11.413 0.378 -5.085 1.00 9.18 C ATOM 584 C PRO A 37 10.588 -0.659 -4.405 1.00 9.85 C ATOM 585 O PRO A 37 10.319 -0.433 -3.226 1.00 8.51 O ATOM 586 CB PRO A 37 12.907 0.083 -4.974 1.00 11.42 C ATOM 587 CG PRO A 37 13.572 1.441 -5.255 1.00 9.27 C ATOM 588 CD PRO A 37 12.595 2.361 -4.505 1.00 8.33 C ATOM 0 HA PRO A 37 11.016 0.321 -6.098 1.00 9.18 H new ATOM 0 HB2 PRO A 37 13.168 -0.293 -3.985 1.00 11.42 H new ATOM 0 HB3 PRO A 37 13.220 -0.672 -5.695 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.587 1.499 -4.863 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.628 1.668 -6.320 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.893 2.481 -3.463 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.578 3.357 -4.948 1.00 8.33 H new ATOM 596 N PRO A 38 10.145 -1.734 -4.989 1.00 8.71 N ATOM 597 CA PRO A 38 9.162 -2.570 -4.365 1.00 9.08 C ATOM 598 C PRO A 38 9.668 -3.360 -3.208 1.00 9.28 C ATOM 599 O PRO A 38 8.877 -3.757 -2.353 1.00 6.50 O ATOM 600 CB PRO A 38 8.678 -3.390 -5.559 1.00 10.31 C ATOM 601 CG PRO A 38 9.965 -3.644 -6.361 1.00 10.81 C ATOM 602 CD PRO A 38 10.517 -2.210 -6.312 1.00 12.00 C ATOM 0 HA PRO A 38 8.361 -2.023 -3.867 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.211 -4.323 -5.243 1.00 10.31 H new ATOM 0 HB3 PRO A 38 7.939 -2.846 -6.147 1.00 10.31 H new ATOM 0 HG2 PRO A 38 10.625 -4.373 -5.891 1.00 10.81 H new ATOM 0 HG3 PRO A 38 9.775 -3.995 -7.375 1.00 10.81 H new ATOM 0 HD2 PRO A 38 11.598 -2.193 -6.453 1.00 12.00 H new ATOM 0 HD3 PRO A 38 10.084 -1.589 -7.096 1.00 12.00 H new ATOM 610 N ASP A 39 10.994 -3.567 -3.117 1.00 11.20 N ATOM 611 CA ASP A 39 11.587 -4.035 -1.903 1.00 14.96 C ATOM 612 C ASP A 39 11.484 -3.112 -0.737 1.00 13.99 C ATOM 613 O ASP A 39 11.213 -3.646 0.338 1.00 13.75 O ATOM 614 CB ASP A 39 13.064 -4.388 -2.147 1.00 24.16 C ATOM 615 CG ASP A 39 14.071 -3.348 -2.616 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.896 -2.678 -3.669 1.00 34.22 O ATOM 617 OD2 ASP A 39 15.122 -3.197 -1.937 1.00 35.55 O ATOM 0 H ASP A 39 11.653 -3.411 -3.880 1.00 11.20 H new ATOM 0 HA ASP A 39 11.003 -4.913 -1.627 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.448 -4.800 -1.214 1.00 24.16 H new ATOM 0 HB3 ASP A 39 13.078 -5.194 -2.881 1.00 24.16 H new ATOM 622 N GLN A 40 11.643 -1.798 -0.975 1.00 11.60 N ATOM 623 CA GLN A 40 11.653 -0.844 0.091 1.00 10.76 C ATOM 624 C GLN A 40 10.266 -0.564 0.559 1.00 8.01 C ATOM 625 O GLN A 40 10.029 -0.224 1.717 1.00 8.96 O ATOM 626 CB GLN A 40 12.266 0.485 -0.382 1.00 11.14 C ATOM 627 CG GLN A 40 13.721 0.461 -0.854 1.00 14.85 C ATOM 628 CD GLN A 40 14.602 0.350 0.382 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.318 0.568 1.559 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.880 -0.042 0.132 1.00 18.16 N ATOM 0 H GLN A 40 11.765 -1.396 -1.905 1.00 11.60 H new ATOM 0 HA GLN A 40 12.245 -1.267 0.902 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.653 0.867 -1.199 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.189 1.201 0.436 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.893 -0.382 -1.524 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.958 1.366 -1.413 1.00 14.85 H new ATOM 0 HE21 GLN A 40 16.176 -0.238 -0.824 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.543 -0.140 0.901 1.00 18.16 H new ATOM 639 N GLN A 41 9.269 -0.774 -0.318 1.00 6.52 N ATOM 640 CA GLN A 41 7.865 -0.807 -0.049 1.00 3.87 C ATOM 641 C GLN A 41 7.464 -2.017 0.724 1.00 4.79 C ATOM 642 O GLN A 41 7.518 -3.154 0.259 1.00 6.34 O ATOM 643 CB GLN A 41 6.898 -0.759 -1.243 1.00 4.20 C ATOM 644 CG GLN A 41 7.203 0.473 -2.096 1.00 3.20 C ATOM 645 CD GLN A 41 6.205 0.589 -3.240 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.027 0.318 -3.014 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.737 0.749 -4.481 1.00 7.13 N ATOM 0 H GLN A 41 9.466 -0.935 -1.306 1.00 6.52 H new ATOM 0 HA GLN A 41 7.762 0.128 0.502 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.998 -1.664 -1.843 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.868 -0.724 -0.889 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.163 1.370 -1.478 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.215 0.406 -2.494 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.726 0.974 -4.587 1.00 7.13 H new ATOM 0 HE22 GLN A 41 6.147 0.644 -5.306 1.00 7.13 H new ATOM 656 N ARG A 42 6.903 -1.820 1.930 1.00 5.73 N ATOM 657 CA ARG A 42 6.267 -2.830 2.717 1.00 6.97 C ATOM 658 C ARG A 42 4.970 -2.205 3.099 1.00 7.15 C ATOM 659 O ARG A 42 4.907 -1.320 3.951 1.00 7.33 O ATOM 660 CB ARG A 42 7.091 -3.328 3.917 1.00 13.23 C ATOM 661 CG ARG A 42 6.445 -4.437 4.750 1.00 21.27 C ATOM 662 CD ARG A 42 7.359 -4.907 5.883 1.00 26.14 C ATOM 663 NE ARG A 42 6.616 -5.978 6.604 1.00 32.26 N ATOM 664 CZ ARG A 42 6.422 -5.995 7.955 1.00 34.32 C ATOM 665 NH1 ARG A 42 6.961 -5.002 8.722 1.00 35.30 N ATOM 666 NH2 ARG A 42 5.817 -7.071 8.538 1.00 36.39 N ATOM 0 H ARG A 42 6.893 -0.905 2.380 1.00 5.73 H new ATOM 0 HA ARG A 42 6.140 -3.756 2.156 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.052 -3.687 3.550 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.296 -2.480 4.571 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.505 -4.076 5.168 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.203 -5.282 4.105 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.302 -5.286 5.490 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.601 -4.083 6.554 1.00 26.14 H new ATOM 0 HE ARG A 42 6.229 -6.745 6.055 1.00 32.26 H new ATOM 0 HH11 ARG A 42 7.503 -4.257 8.284 1.00 35.30 H new ATOM 0 HH12 ARG A 42 6.822 -5.006 9.732 1.00 35.30 H new ATOM 0 HH21 ARG A 42 5.512 -7.857 7.964 1.00 36.39 H new ATOM 0 HH22 ARG A 42 5.670 -7.088 9.547 1.00 36.39 H new ATOM 680 N LEU A 43 3.848 -2.579 2.459 1.00 4.65 N ATOM 681 CA LEU A 43 2.621 -1.959 2.853 1.00 3.51 C ATOM 682 C LEU A 43 1.977 -2.795 3.905 1.00 5.56 C ATOM 683 O LEU A 43 1.701 -3.971 3.671 1.00 4.19 O ATOM 684 CB LEU A 43 1.568 -1.771 1.748 1.00 3.74 C ATOM 685 CG LEU A 43 1.805 -0.884 0.514 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.639 -1.184 -0.443 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.662 0.573 0.985 1.00 9.55 C ATOM 0 H LEU A 43 3.786 -3.270 1.711 1.00 4.65 H new ATOM 0 HA LEU A 43 2.917 -0.963 3.182 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.330 -2.767 1.374 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.671 -1.391 2.236 1.00 3.74 H new ATOM 0 HG LEU A 43 2.774 -1.053 0.045 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.746 -0.583 -1.346 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.648 -2.241 -0.707 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.304 -0.940 0.045 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.822 1.245 0.142 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.661 0.728 1.388 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.401 0.779 1.759 1.00 9.55 H new ATOM 699 N ILE A 44 1.777 -2.265 5.125 1.00 4.58 N ATOM 700 CA ILE A 44 0.819 -2.806 6.038 1.00 5.55 C ATOM 701 C ILE A 44 -0.539 -2.206 5.911 1.00 5.46 C ATOM 702 O ILE A 44 -0.773 -1.274 5.143 1.00 6.04 O ATOM 703 CB ILE A 44 1.340 -2.751 7.444 1.00 6.80 C ATOM 704 CG1 ILE A 44 1.472 -1.320 7.992 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.762 -3.338 7.472 1.00 7.39 C ATOM 706 CD1 ILE A 44 1.679 -1.327 9.506 1.00 13.90 C ATOM 0 H ILE A 44 2.284 -1.455 5.481 1.00 4.58 H new ATOM 0 HA ILE A 44 0.683 -3.853 5.765 1.00 5.55 H new ATOM 0 HB ILE A 44 0.624 -3.304 8.052 1.00 6.80 H new ATOM 0 HG12 ILE A 44 2.311 -0.819 7.510 1.00 10.31 H new ATOM 0 HG13 ILE A 44 0.576 -0.749 7.747 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.150 -3.303 8.490 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.735 -4.372 7.129 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.409 -2.755 6.817 1.00 7.39 H new ATOM 0 HD11 ILE A 44 1.769 -0.302 9.866 1.00 13.90 H new ATOM 0 HD12 ILE A 44 0.827 -1.807 9.988 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.589 -1.877 9.746 1.00 13.90 H new ATOM 718 N PHE A 45 -1.500 -2.645 6.743 1.00 6.75 N ATOM 719 CA PHE A 45 -2.815 -2.082 6.763 1.00 4.70 C ATOM 720 C PHE A 45 -2.917 -1.383 8.075 1.00 6.34 C ATOM 721 O PHE A 45 -2.726 -0.169 8.130 1.00 5.45 O ATOM 722 CB PHE A 45 -3.922 -3.113 6.485 1.00 5.51 C ATOM 723 CG PHE A 45 -5.323 -2.608 6.449 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.688 -1.293 6.279 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.325 -3.544 6.557 1.00 5.87 C ATOM 726 CE1 PHE A 45 -7.005 -0.904 6.213 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.653 -3.187 6.555 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.977 -1.863 6.374 1.00 6.84 C ATOM 0 H PHE A 45 -1.363 -3.402 7.412 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.971 -1.375 5.948 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.709 -3.589 5.528 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.861 -3.889 7.248 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.916 -0.542 6.195 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -6.062 -4.588 6.646 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.269 0.129 6.039 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.424 -3.930 6.693 1.00 6.64 H new ATOM 0 HZ PHE A 45 -9.016 -1.570 6.358 1.00 6.84 H new ATOM 738 N ALA A 46 -3.131 -2.064 9.214 1.00 6.53 N ATOM 739 CA ALA A 46 -3.112 -1.549 10.548 1.00 7.15 C ATOM 740 C ALA A 46 -1.961 -2.065 11.342 1.00 9.00 C ATOM 741 O ALA A 46 -1.344 -1.258 12.036 1.00 11.15 O ATOM 742 CB ALA A 46 -4.455 -1.942 11.187 1.00 8.99 C ATOM 0 H ALA A 46 -3.335 -3.063 9.198 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.984 -0.467 10.531 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.493 -1.571 12.211 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.273 -1.506 10.613 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.553 -3.028 11.190 1.00 8.99 H new ATOM 748 N GLY A 47 -1.724 -3.388 11.388 1.00 9.35 N ATOM 749 CA GLY A 47 -0.606 -4.037 12.000 1.00 11.68 C ATOM 750 C GLY A 47 0.026 -5.044 11.102 1.00 11.14 C ATOM 751 O GLY A 47 1.204 -5.372 11.241 1.00 13.93 O ATOM 0 H GLY A 47 -2.367 -4.056 10.963 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.135 -3.289 12.282 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.931 -4.526 12.918 1.00 11.68 H new ATOM 755 N LYS A 48 -0.709 -5.597 10.121 1.00 10.47 N ATOM 756 CA LYS A 48 -0.297 -6.739 9.366 1.00 8.82 C ATOM 757 C LYS A 48 -0.037 -6.471 7.924 1.00 7.68 C ATOM 758 O LYS A 48 -0.697 -5.666 7.268 1.00 6.47 O ATOM 759 CB LYS A 48 -1.312 -7.890 9.471 1.00 9.74 C ATOM 760 CG LYS A 48 -1.630 -8.210 10.933 1.00 14.14 C ATOM 761 CD LYS A 48 -2.858 -9.104 11.115 1.00 16.32 C ATOM 762 CE LYS A 48 -2.956 -10.471 10.433 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.751 -11.290 10.695 1.00 23.92 N ATOM 0 H LYS A 48 -1.622 -5.236 9.844 1.00 10.47 H new ATOM 0 HA LYS A 48 0.652 -7.022 9.822 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.229 -7.620 8.947 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.913 -8.777 8.979 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.766 -8.698 11.385 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.788 -7.277 11.474 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.971 -9.274 12.186 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.723 -8.525 10.792 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.841 -10.997 10.792 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.080 -10.336 9.359 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.847 -12.210 10.220 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.911 -10.798 10.330 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.648 -11.438 11.719 1.00 23.92 H new ATOM 777 N GLN A 49 0.943 -7.187 7.345 1.00 8.89 N ATOM 778 CA GLN A 49 1.411 -7.065 5.999 1.00 7.18 C ATOM 779 C GLN A 49 0.561 -7.700 4.954 1.00 8.23 C ATOM 780 O GLN A 49 -0.191 -8.665 5.089 1.00 9.70 O ATOM 781 CB GLN A 49 2.881 -7.456 5.770 1.00 11.67 C ATOM 782 CG GLN A 49 3.154 -8.962 5.773 1.00 15.82 C ATOM 783 CD GLN A 49 4.648 -9.248 5.706 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.512 -8.379 5.810 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.972 -10.519 5.350 1.00 20.67 N ATOM 0 H GLN A 49 1.447 -7.908 7.860 1.00 8.89 H new ATOM 0 HA GLN A 49 1.330 -5.986 5.871 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.207 -7.044 4.815 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.491 -6.989 6.543 1.00 11.67 H new ATOM 0 HG2 GLN A 49 2.735 -9.409 6.675 1.00 15.82 H new ATOM 0 HG3 GLN A 49 2.653 -9.427 4.924 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.243 -11.227 5.268 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.944 -10.764 5.164 1.00 20.67 H new ATOM 794 N LEU A 50 0.675 -7.099 3.756 1.00 6.51 N ATOM 795 CA LEU A 50 -0.085 -7.525 2.622 1.00 7.41 C ATOM 796 C LEU A 50 0.961 -8.037 1.693 1.00 8.27 C ATOM 797 O LEU A 50 2.021 -7.432 1.536 1.00 8.34 O ATOM 798 CB LEU A 50 -0.768 -6.287 2.018 1.00 7.13 C ATOM 799 CG LEU A 50 -1.498 -5.348 2.993 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.054 -4.110 2.269 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.650 -6.069 3.714 1.00 8.14 C ATOM 0 H LEU A 50 1.298 -6.313 3.572 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.855 -8.265 2.840 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.011 -5.706 1.490 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.487 -6.626 1.272 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.761 -5.030 3.730 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.564 -3.467 2.987 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.234 -3.560 1.807 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.759 -4.425 1.499 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.144 -5.376 4.395 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.370 -6.430 2.979 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.254 -6.913 4.279 1.00 8.14 H new ATOM 813 N GLU A 51 0.774 -9.192 1.030 1.00 9.43 N ATOM 814 CA GLU A 51 1.709 -9.896 0.207 1.00 11.90 C ATOM 815 C GLU A 51 1.342 -9.691 -1.222 1.00 11.49 C ATOM 816 O GLU A 51 0.183 -9.764 -1.629 1.00 9.88 O ATOM 817 CB GLU A 51 1.674 -11.394 0.552 1.00 16.56 C ATOM 818 CG GLU A 51 2.486 -11.661 1.821 1.00 26.06 C ATOM 819 CD GLU A 51 2.434 -13.110 2.284 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.780 -13.997 1.459 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.757 -13.332 3.323 1.00 32.13 O ATOM 0 H GLU A 51 -0.121 -9.679 1.076 1.00 9.43 H new ATOM 0 HA GLU A 51 2.717 -9.520 0.382 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.643 -11.718 0.696 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.078 -11.975 -0.277 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.525 -11.382 1.643 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.116 -11.019 2.621 1.00 26.06 H new ATOM 828 N ASP A 52 2.414 -9.492 -2.009 1.00 12.71 N ATOM 829 CA ASP A 52 2.418 -9.290 -3.424 1.00 16.56 C ATOM 830 C ASP A 52 1.375 -9.840 -4.335 1.00 15.83 C ATOM 831 O ASP A 52 0.767 -9.175 -5.172 1.00 17.21 O ATOM 832 CB ASP A 52 3.865 -9.629 -3.822 1.00 21.05 C ATOM 833 CG ASP A 52 4.930 -8.823 -3.093 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.736 -8.210 -2.009 1.00 25.82 O ATOM 835 OD2 ASP A 52 6.053 -8.802 -3.665 1.00 28.37 O ATOM 0 H ASP A 52 3.357 -9.471 -1.620 1.00 12.71 H new ATOM 0 HA ASP A 52 2.085 -8.266 -3.592 1.00 16.56 H new ATOM 0 HB2 ASP A 52 4.040 -10.689 -3.636 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.979 -9.470 -4.894 1.00 21.05 H new ATOM 840 N GLY A 53 1.167 -11.168 -4.288 1.00 15.00 N ATOM 841 CA GLY A 53 0.454 -11.910 -5.281 1.00 11.77 C ATOM 842 C GLY A 53 -1.023 -12.033 -5.133 1.00 11.10 C ATOM 843 O GLY A 53 -1.626 -12.644 -6.015 1.00 11.25 O ATOM 0 H GLY A 53 1.511 -11.750 -3.524 1.00 15.00 H new ATOM 0 HA2 GLY A 53 0.656 -11.452 -6.249 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.872 -12.916 -5.311 1.00 11.77 H new ATOM 847 N ARG A 54 -1.620 -11.478 -4.063 1.00 8.53 N ATOM 848 CA ARG A 54 -3.008 -11.396 -3.727 1.00 9.05 C ATOM 849 C ARG A 54 -3.529 -10.098 -4.241 1.00 8.96 C ATOM 850 O ARG A 54 -2.784 -9.181 -4.583 1.00 11.60 O ATOM 851 CB ARG A 54 -3.197 -11.449 -2.202 1.00 7.97 C ATOM 852 CG ARG A 54 -2.427 -12.622 -1.591 1.00 9.62 C ATOM 853 CD ARG A 54 -3.096 -13.313 -0.401 1.00 12.20 C ATOM 854 NE ARG A 54 -4.278 -14.076 -0.891 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.158 -14.729 -0.078 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.956 -14.880 1.263 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.405 -15.071 -0.515 1.00 25.50 N ATOM 0 H ARG A 54 -1.052 -11.030 -3.344 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.544 -12.235 -4.171 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.855 -10.514 -1.757 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.257 -11.544 -1.967 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.258 -13.365 -2.370 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.448 -12.263 -1.274 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.391 -13.984 0.091 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.404 -12.575 0.340 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.440 -14.113 -1.897 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.117 -14.496 1.699 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.644 -15.377 1.830 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.694 -14.839 -1.465 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -7.048 -15.559 0.109 1.00 25.50 H new ATOM 871 N THR A 55 -4.863 -9.926 -4.260 1.00 9.05 N ATOM 872 CA THR A 55 -5.569 -8.737 -4.625 1.00 9.03 C ATOM 873 C THR A 55 -6.044 -7.986 -3.429 1.00 8.15 C ATOM 874 O THR A 55 -6.049 -8.606 -2.366 1.00 5.91 O ATOM 875 CB THR A 55 -6.679 -8.994 -5.600 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.777 -9.702 -5.044 1.00 11.95 O ATOM 877 CG2 THR A 55 -6.297 -9.757 -6.879 1.00 11.71 C ATOM 0 H THR A 55 -5.498 -10.681 -3.999 1.00 9.05 H new ATOM 0 HA THR A 55 -4.850 -8.103 -5.144 1.00 9.03 H new ATOM 0 HB THR A 55 -6.947 -7.970 -5.861 1.00 11.15 H new ATOM 0 HG1 THR A 55 -7.488 -10.601 -4.782 1.00 11.95 H new ATOM 0 HG21 THR A 55 -7.180 -9.883 -7.505 1.00 11.71 H new ATOM 0 HG22 THR A 55 -5.541 -9.194 -7.426 1.00 11.71 H new ATOM 0 HG23 THR A 55 -5.898 -10.736 -6.613 1.00 11.71 H new ATOM 885 N LEU A 56 -6.527 -6.735 -3.522 1.00 6.91 N ATOM 886 CA LEU A 56 -7.135 -5.875 -2.554 1.00 8.29 C ATOM 887 C LEU A 56 -8.429 -6.427 -2.063 1.00 8.05 C ATOM 888 O LEU A 56 -8.890 -6.263 -0.935 1.00 10.17 O ATOM 889 CB LEU A 56 -7.342 -4.511 -3.232 1.00 6.60 C ATOM 890 CG LEU A 56 -5.961 -3.942 -3.598 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.121 -2.668 -4.444 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.092 -3.601 -2.376 1.00 9.85 C ATOM 0 H LEU A 56 -6.480 -6.257 -4.422 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.493 -5.781 -1.678 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -7.957 -4.620 -4.125 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.869 -3.830 -2.563 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.455 -4.730 -4.157 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.137 -2.274 -4.697 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.664 -2.905 -5.359 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.676 -1.921 -3.876 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.133 -3.205 -2.711 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.600 -2.854 -1.765 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.926 -4.502 -1.785 1.00 9.85 H new ATOM 904 N SER A 57 -9.092 -7.258 -2.887 1.00 8.92 N ATOM 905 CA SER A 57 -10.242 -8.049 -2.577 1.00 9.00 C ATOM 906 C SER A 57 -10.045 -9.030 -1.473 1.00 9.44 C ATOM 907 O SER A 57 -10.854 -9.195 -0.562 1.00 10.91 O ATOM 908 CB SER A 57 -10.765 -8.654 -3.891 1.00 10.32 C ATOM 909 OG SER A 57 -11.999 -9.305 -3.626 1.00 13.59 O ATOM 0 H SER A 57 -8.796 -7.386 -3.855 1.00 8.92 H new ATOM 0 HA SER A 57 -11.012 -7.406 -2.151 1.00 9.00 H new ATOM 0 HB2 SER A 57 -10.901 -7.874 -4.640 1.00 10.32 H new ATOM 0 HB3 SER A 57 -10.042 -9.362 -4.296 1.00 10.32 H new ATOM 0 HG SER A 57 -12.347 -9.695 -4.455 1.00 13.59 H new ATOM 915 N ASP A 58 -8.902 -9.729 -1.598 1.00 9.11 N ATOM 916 CA ASP A 58 -8.550 -10.793 -0.710 1.00 7.91 C ATOM 917 C ASP A 58 -8.294 -10.263 0.658 1.00 9.12 C ATOM 918 O ASP A 58 -8.660 -10.912 1.637 1.00 8.61 O ATOM 919 CB ASP A 58 -7.255 -11.554 -1.041 1.00 8.41 C ATOM 920 CG ASP A 58 -7.202 -12.237 -2.399 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.013 -11.590 -3.464 1.00 10.05 O ATOM 922 OD2 ASP A 58 -7.411 -13.473 -2.534 1.00 11.70 O ATOM 0 H ASP A 58 -8.211 -9.552 -2.327 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.403 -11.465 -0.801 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.422 -10.854 -0.977 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.096 -12.310 -0.272 1.00 8.41 H new ATOM 927 N TYR A 59 -7.629 -9.098 0.760 1.00 7.97 N ATOM 928 CA TYR A 59 -7.303 -8.492 2.014 1.00 8.45 C ATOM 929 C TYR A 59 -8.458 -7.678 2.488 1.00 10.98 C ATOM 930 O TYR A 59 -8.461 -7.140 3.594 1.00 12.95 O ATOM 931 CB TYR A 59 -6.078 -7.590 1.788 1.00 7.94 C ATOM 932 CG TYR A 59 -4.889 -8.483 1.881 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.503 -8.985 3.102 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.139 -8.793 0.771 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.403 -9.803 3.208 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.016 -9.580 0.875 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.652 -10.098 2.095 1.00 6.76 C ATOM 938 OH TYR A 59 -1.560 -10.984 2.215 1.00 7.63 O ATOM 0 H TYR A 59 -7.310 -8.564 -0.049 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.083 -9.249 2.767 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.126 -7.104 0.814 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.032 -6.799 2.537 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.070 -8.734 3.986 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.436 -8.413 -0.196 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.128 -10.215 4.168 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.421 -9.791 -0.001 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.432 -11.462 1.369 1.00 7.63 H new ATOM 948 N ASN A 60 -9.541 -7.598 1.695 1.00 12.38 N ATOM 949 CA ASN A 60 -10.746 -6.917 2.054 1.00 13.94 C ATOM 950 C ASN A 60 -10.553 -5.448 2.207 1.00 14.16 C ATOM 951 O ASN A 60 -10.956 -4.773 3.154 1.00 14.26 O ATOM 952 CB ASN A 60 -11.481 -7.427 3.306 1.00 19.23 C ATOM 953 CG ASN A 60 -11.886 -8.892 3.229 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.306 -9.745 3.900 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.871 -9.234 2.356 1.00 24.09 N ATOM 0 H ASN A 60 -9.579 -8.024 0.769 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.382 -7.146 1.199 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.840 -7.283 4.176 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.373 -6.821 3.464 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.141 -10.212 2.249 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.340 -8.513 1.808 1.00 24.09 H new ATOM 962 N ILE A 61 -9.863 -4.844 1.223 1.00 11.08 N ATOM 963 CA ILE A 61 -9.572 -3.448 1.124 1.00 11.78 C ATOM 964 C ILE A 61 -10.655 -2.749 0.376 1.00 13.74 C ATOM 965 O ILE A 61 -10.982 -3.093 -0.759 1.00 14.60 O ATOM 966 CB ILE A 61 -8.161 -3.327 0.627 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.137 -3.652 1.727 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.995 -1.923 0.023 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.879 -4.300 1.151 1.00 11.42 C ATOM 0 H ILE A 61 -9.481 -5.373 0.439 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.584 -2.916 2.075 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.963 -4.065 -0.150 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.867 -2.737 2.255 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.589 -4.321 2.459 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.977 -1.804 -0.348 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.698 -1.796 -0.800 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -8.192 -1.172 0.788 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.179 -4.515 1.958 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.147 -5.228 0.646 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.413 -3.620 0.438 1.00 11.42 H new ATOM 981 N GLN A 62 -11.428 -1.849 1.009 1.00 13.97 N ATOM 982 CA GLN A 62 -12.570 -1.139 0.524 1.00 15.52 C ATOM 983 C GLN A 62 -12.221 0.228 0.045 1.00 13.94 C ATOM 984 O GLN A 62 -11.131 0.721 0.329 1.00 12.15 O ATOM 985 CB GLN A 62 -13.676 -0.938 1.574 1.00 19.53 C ATOM 986 CG GLN A 62 -14.027 -2.240 2.298 1.00 26.38 C ATOM 987 CD GLN A 62 -14.480 -3.402 1.427 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.269 -4.566 1.765 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.129 -3.033 0.290 1.00 32.71 N ATOM 0 H GLN A 62 -11.225 -1.591 1.975 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.932 -1.775 -0.284 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.353 -0.195 2.303 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.568 -0.542 1.089 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.154 -2.560 2.866 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.816 -2.027 3.019 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.265 -2.045 0.079 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.479 -3.745 -0.351 1.00 32.71 H new ATOM 998 N LYS A 63 -13.152 0.866 -0.687 1.00 11.73 N ATOM 999 CA LYS A 63 -13.011 2.244 -1.039 1.00 11.97 C ATOM 1000 C LYS A 63 -12.816 3.189 0.097 1.00 10.41 C ATOM 1001 O LYS A 63 -13.463 3.143 1.142 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.211 2.822 -1.808 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.004 4.163 -2.513 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.267 4.565 -3.278 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.534 4.722 -2.435 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.443 5.701 -1.330 1.00 25.97 N ATOM 0 H LYS A 63 -14.004 0.426 -1.035 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.111 2.189 -1.651 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.518 2.090 -2.555 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -15.040 2.931 -1.109 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.755 4.931 -1.781 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.161 4.093 -3.201 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.074 5.508 -3.790 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.456 3.817 -4.048 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.353 5.016 -3.092 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.794 3.750 -2.016 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.392 6.065 -1.109 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.045 5.238 -0.488 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.828 6.490 -1.615 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.828 4.076 -0.116 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.348 5.034 0.831 1.00 10.94 C ATOM 1022 C GLU A 64 -10.919 4.387 2.103 1.00 9.74 C ATOM 1023 O GLU A 64 -11.451 4.649 3.181 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.377 6.154 1.060 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.446 6.972 -0.232 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.783 7.693 -0.332 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.098 8.455 0.621 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.558 7.477 -1.302 1.00 31.72 O ATOM 0 H GLU A 64 -11.333 4.127 -1.007 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.458 5.501 0.409 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.354 5.736 1.304 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -12.081 6.783 1.899 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.632 7.697 -0.255 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.314 6.316 -1.093 1.00 24.16 H new ATOM 1035 N SER A 65 -9.958 3.451 2.017 1.00 6.85 N ATOM 1036 CA SER A 65 -9.321 2.817 3.130 1.00 6.90 C ATOM 1037 C SER A 65 -7.876 3.181 3.133 1.00 4.72 C ATOM 1038 O SER A 65 -7.252 3.259 2.075 1.00 3.91 O ATOM 1039 CB SER A 65 -9.580 1.303 3.216 1.00 7.28 C ATOM 1040 OG SER A 65 -9.301 0.761 4.499 1.00 10.56 O ATOM 0 H SER A 65 -9.605 3.118 1.120 1.00 6.85 H new ATOM 0 HA SER A 65 -9.774 3.195 4.047 1.00 6.90 H new ATOM 0 HB2 SER A 65 -10.621 1.104 2.963 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.968 0.793 2.472 1.00 7.28 H new ATOM 0 HG SER A 65 -8.449 0.277 4.471 1.00 10.56 H new ATOM 1046 N THR A 66 -7.253 3.390 4.306 1.00 4.48 N ATOM 1047 CA THR A 66 -5.868 3.738 4.391 1.00 3.80 C ATOM 1048 C THR A 66 -4.941 2.610 4.687 1.00 4.60 C ATOM 1049 O THR A 66 -5.073 1.853 5.648 1.00 5.33 O ATOM 1050 CB THR A 66 -5.594 4.714 5.496 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.359 5.883 5.238 1.00 2.15 O ATOM 1052 CG2 THR A 66 -4.156 5.252 5.412 1.00 3.40 C ATOM 0 H THR A 66 -7.718 3.316 5.211 1.00 4.48 H new ATOM 0 HA THR A 66 -5.682 4.136 3.393 1.00 3.80 H new ATOM 0 HB THR A 66 -5.801 4.208 6.439 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.201 6.541 5.947 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.983 5.958 6.225 1.00 3.40 H new ATOM 0 HG22 THR A 66 -3.452 4.424 5.495 1.00 3.40 H new ATOM 0 HG23 THR A 66 -4.011 5.756 4.457 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.938 2.406 3.814 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.823 1.514 3.883 1.00 3.85 C ATOM 1062 C LEU A 67 -1.639 2.303 4.325 1.00 3.80 C ATOM 1063 O LEU A 67 -1.642 3.527 4.202 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.435 1.006 2.484 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.589 0.309 1.745 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.049 -0.492 0.548 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -4.332 -0.746 2.582 1.00 8.12 C ATOM 0 H LEU A 67 -3.911 2.941 2.946 1.00 4.17 H new ATOM 0 HA LEU A 67 -3.090 0.690 4.545 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.085 1.846 1.885 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.600 0.311 2.577 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.260 1.126 1.478 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.877 -0.980 0.034 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.541 0.182 -0.141 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.346 -1.246 0.902 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -5.130 -1.188 1.985 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.634 -1.525 2.889 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.760 -0.274 3.466 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.608 1.676 4.918 1.00 2.94 N ATOM 1080 CA HIS A 68 0.476 2.396 5.510 1.00 4.17 C ATOM 1081 C HIS A 68 1.712 1.792 4.939 1.00 5.32 C ATOM 1082 O HIS A 68 2.010 0.613 5.124 1.00 7.70 O ATOM 1083 CB HIS A 68 0.486 2.297 7.045 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.579 3.112 7.717 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.626 2.507 8.382 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.791 4.449 7.849 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -2.420 3.487 8.892 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.977 4.673 8.518 1.00 16.30 N ATOM 0 H HIS A 68 -0.525 0.662 4.988 1.00 2.94 H new ATOM 0 HA HIS A 68 0.391 3.460 5.291 1.00 4.17 H new ATOM 0 HB2 HIS A 68 0.365 1.252 7.332 1.00 5.57 H new ATOM 0 HB3 HIS A 68 1.461 2.618 7.413 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -1.778 1.503 8.475 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.129 5.221 7.484 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -3.287 3.319 9.513 1.00 14.75 H new ATOM 1096 N LEU A 69 2.487 2.689 4.303 1.00 5.29 N ATOM 1097 CA LEU A 69 3.757 2.378 3.724 1.00 3.97 C ATOM 1098 C LEU A 69 4.855 2.513 4.722 1.00 5.07 C ATOM 1099 O LEU A 69 5.348 3.614 4.962 1.00 4.34 O ATOM 1100 CB LEU A 69 4.051 3.231 2.479 1.00 6.08 C ATOM 1101 CG LEU A 69 5.228 2.863 1.561 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.991 1.477 0.938 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.475 3.834 0.393 1.00 6.87 C ATOM 0 H LEU A 69 2.219 3.666 4.188 1.00 5.29 H new ATOM 0 HA LEU A 69 3.709 1.337 3.404 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.149 3.234 1.866 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.210 4.255 2.817 1.00 6.08 H new ATOM 0 HG LEU A 69 6.101 2.898 2.213 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.828 1.222 0.289 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.905 0.732 1.729 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.071 1.493 0.354 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.325 3.487 -0.195 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.589 3.875 -0.240 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.687 4.829 0.785 1.00 6.87 H new ATOM 1115 N VAL A 70 5.430 1.414 5.242 1.00 4.29 N ATOM 1116 CA VAL A 70 6.625 1.338 6.024 1.00 6.26 C ATOM 1117 C VAL A 70 7.781 0.805 5.249 1.00 9.22 C ATOM 1118 O VAL A 70 7.612 0.508 4.068 1.00 9.36 O ATOM 1119 CB VAL A 70 6.432 0.438 7.209 1.00 8.69 C ATOM 1120 CG1 VAL A 70 5.509 1.145 8.216 1.00 9.76 C ATOM 1121 CG2 VAL A 70 5.844 -0.954 6.923 1.00 8.54 C ATOM 0 H VAL A 70 5.017 0.492 5.100 1.00 4.29 H new ATOM 0 HA VAL A 70 6.838 2.360 6.337 1.00 6.26 H new ATOM 0 HB VAL A 70 7.438 0.256 7.587 1.00 8.69 H new ATOM 0 HG11 VAL A 70 5.358 0.503 9.084 1.00 9.76 H new ATOM 0 HG12 VAL A 70 5.966 2.083 8.533 1.00 9.76 H new ATOM 0 HG13 VAL A 70 4.547 1.351 7.746 1.00 9.76 H new ATOM 0 HG21 VAL A 70 5.753 -1.509 7.857 1.00 8.54 H new ATOM 0 HG22 VAL A 70 4.860 -0.847 6.467 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.502 -1.494 6.243 1.00 8.54 H new ATOM 1131 N LEU A 71 8.995 0.701 5.820 1.00 12.71 N ATOM 1132 CA LEU A 71 10.177 0.144 5.239 1.00 16.06 C ATOM 1133 C LEU A 71 10.225 -1.343 5.172 1.00 18.09 C ATOM 1134 O LEU A 71 9.440 -2.099 5.744 1.00 19.26 O ATOM 1135 CB LEU A 71 11.374 0.666 6.052 1.00 17.10 C ATOM 1136 CG LEU A 71 11.698 2.156 6.249 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.962 2.314 7.110 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.855 2.872 4.897 1.00 17.51 C ATOM 0 H LEU A 71 9.161 1.036 6.769 1.00 12.71 H new ATOM 0 HA LEU A 71 10.196 0.460 4.196 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.270 0.243 7.051 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.262 0.218 5.607 1.00 17.10 H new ATOM 0 HG LEU A 71 10.864 2.624 6.772 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.182 3.373 7.243 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.799 1.852 8.084 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.803 1.828 6.615 1.00 19.57 H new ATOM 0 HD21 LEU A 71 12.084 3.924 5.067 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.666 2.411 4.333 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.927 2.789 4.332 1.00 17.51 H new ATOM 1150 N ARG A 72 11.266 -1.897 4.524 1.00 21.47 N ATOM 1151 CA ARG A 72 11.476 -3.294 4.302 1.00 25.83 C ATOM 1152 C ARG A 72 11.553 -4.077 5.567 1.00 27.74 C ATOM 1153 O ARG A 72 10.738 -4.961 5.828 1.00 30.65 O ATOM 1154 CB ARG A 72 12.679 -3.589 3.391 1.00 28.49 C ATOM 1155 CG ARG A 72 12.684 -5.042 2.912 1.00 31.79 C ATOM 1156 CD ARG A 72 13.815 -5.406 1.948 1.00 34.05 C ATOM 1157 NE ARG A 72 13.746 -6.814 1.463 1.00 35.08 N ATOM 1158 CZ ARG A 72 14.670 -7.367 0.624 1.00 34.67 C ATOM 1159 NH1 ARG A 72 15.999 -7.058 0.592 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.346 -8.375 -0.237 1.00 34.97 N ATOM 0 H ARG A 72 12.013 -1.327 4.128 1.00 21.47 H new ATOM 0 HA ARG A 72 10.587 -3.630 3.769 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.655 -2.922 2.529 1.00 28.49 H new ATOM 0 HB3 ARG A 72 13.603 -3.380 3.930 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.746 -5.695 3.783 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.732 -5.250 2.425 1.00 31.79 H new ATOM 0 HD2 ARG A 72 13.784 -4.732 1.092 1.00 34.05 H new ATOM 0 HD3 ARG A 72 14.772 -5.247 2.445 1.00 34.05 H new ATOM 0 HE ARG A 72 12.967 -7.395 1.774 1.00 35.08 H new ATOM 0 HH11 ARG A 72 16.376 -6.360 1.233 1.00 35.02 H new ATOM 0 HH12 ARG A 72 16.615 -7.526 -0.073 1.00 35.02 H new ATOM 0 HH21 ARG A 72 13.392 -8.735 -0.265 1.00 34.97 H new ATOM 0 HH22 ARG A 72 15.058 -8.769 -0.852 1.00 34.97 H new ATOM 1174 N LEU A 73 12.601 -3.807 6.365 1.00 28.93 N ATOM 1175 CA LEU A 73 12.905 -4.585 7.526 1.00 30.76 C ATOM 1176 C LEU A 73 12.216 -4.043 8.731 1.00 32.18 C ATOM 1177 O LEU A 73 11.449 -4.744 9.390 1.00 32.31 O ATOM 1178 CB LEU A 73 14.412 -4.688 7.816 1.00 30.53 C ATOM 1179 CG LEU A 73 14.885 -5.221 9.179 1.00 30.16 C ATOM 1180 CD1 LEU A 73 14.316 -6.624 9.449 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.422 -5.202 9.229 1.00 29.57 C ATOM 0 H LEU A 73 13.248 -3.036 6.202 1.00 28.93 H new ATOM 0 HA LEU A 73 12.541 -5.588 7.305 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.850 -5.324 7.047 1.00 30.53 H new ATOM 0 HB3 LEU A 73 14.838 -3.693 7.688 1.00 30.53 H new ATOM 0 HG LEU A 73 14.509 -4.574 9.972 1.00 30.16 H new ATOM 0 HD11 LEU A 73 14.666 -6.978 10.419 1.00 29.11 H new ATOM 0 HD12 LEU A 73 13.227 -6.581 9.449 1.00 29.11 H new ATOM 0 HD13 LEU A 73 14.652 -7.309 8.670 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.759 -5.579 10.194 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.820 -5.833 8.434 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.778 -4.181 9.094 1.00 29.57 H new ATOM 1193 N ARG A 74 12.556 -2.785 9.065 1.00 33.82 N ATOM 1194 CA ARG A 74 12.187 -2.186 10.310 1.00 35.33 C ATOM 1195 C ARG A 74 10.866 -1.499 10.383 1.00 36.22 C ATOM 1196 O ARG A 74 10.503 -0.797 9.441 1.00 36.70 O ATOM 1197 CB ARG A 74 13.298 -1.164 10.604 1.00 36.91 C ATOM 1198 CG ARG A 74 13.304 -0.360 11.906 1.00 38.62 C ATOM 1199 CD ARG A 74 12.585 0.989 11.969 1.00 39.75 C ATOM 1200 NE ARG A 74 13.465 1.923 11.212 1.00 41.13 N ATOM 1201 CZ ARG A 74 13.092 3.202 10.917 1.00 41.91 C ATOM 1202 NH1 ARG A 74 11.973 3.766 11.458 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.886 3.965 10.110 1.00 41.93 N ATOM 0 H ARG A 74 13.099 -2.171 8.457 1.00 33.82 H new ATOM 0 HA ARG A 74 12.079 -2.995 11.032 1.00 35.33 H new ATOM 0 HB2 ARG A 74 14.246 -1.700 10.555 1.00 36.91 H new ATOM 0 HB3 ARG A 74 13.296 -0.445 9.785 1.00 36.91 H new ATOM 0 HG2 ARG A 74 12.875 -0.994 12.682 1.00 38.62 H new ATOM 0 HG3 ARG A 74 14.346 -0.186 12.176 1.00 38.62 H new ATOM 0 HD2 ARG A 74 11.593 0.930 11.522 1.00 39.75 H new ATOM 0 HD3 ARG A 74 12.451 1.319 12.999 1.00 39.75 H new ATOM 0 HE ARG A 74 14.380 1.594 10.903 1.00 41.13 H new ATOM 0 HH11 ARG A 74 11.391 3.229 12.101 1.00 42.75 H new ATOM 0 HH12 ARG A 74 11.719 4.724 11.219 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.751 3.578 9.732 1.00 41.93 H new ATOM 0 HH22 ARG A 74 13.614 4.922 9.885 1.00 41.93 H new ATOM 1217 N GLY A 75 10.120 -1.582 11.499 1.00 36.31 N ATOM 1218 CA GLY A 75 8.878 -0.876 11.563 1.00 36.07 C ATOM 1219 C GLY A 75 8.381 -0.716 12.958 1.00 36.16 C ATOM 1220 O GLY A 75 8.791 -1.427 13.874 1.00 36.26 O ATOM 0 H GLY A 75 10.365 -2.119 12.331 1.00 36.31 H new ATOM 0 HA2 GLY A 75 9.000 0.108 11.110 1.00 36.07 H new ATOM 0 HA3 GLY A 75 8.131 -1.408 10.974 1.00 36.07 H new ATOM 1224 N GLY A 76 7.527 0.290 13.219 1.00 36.05 N ATOM 1225 CA GLY A 76 6.936 0.478 14.507 1.00 36.19 C ATOM 1226 C GLY A 76 5.433 0.714 14.528 1.00 36.20 C ATOM 1227 O GLY A 76 4.898 1.841 14.706 1.00 36.13 O ATOM 1228 OXT GLY A 76 4.727 -0.327 14.463 1.00 36.27 O ATOM 0 H GLY A 76 7.243 0.983 12.526 1.00 36.05 H new ATOM 0 HA2 GLY A 76 7.154 -0.400 15.115 1.00 36.19 H new ATOM 0 HA3 GLY A 76 7.423 1.327 14.987 1.00 36.19 H new TER 1232 GLY A 76