USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 96 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.7) USER MOD Set 1.2: A 99 GLN : amide:sc=-0.000849 K(o=-2.2,f=-2.9) USER MOD Set 2.1: A 86 SER OG : rot 180:sc= -0.255 USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 67 GLN : amide:sc= -5.28 K(o=-10,f=-5.5!) USER MOD Set 3.2: A 71 ASN : amide:sc= -5.04! C(o=-10!,f=-9.1!) USER MOD Set 4.1: A 4 THR OG1 : rot 109:sc= 0.00245 USER MOD Set 4.2: A 41 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.82) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 32:sc= 0.309 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 48:sc= 0.669 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= -0.209 (180deg=-2.12!) USER MOD Single : A 10 THR OG1 : rot 83:sc= -1.96! USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= -1.85! (180deg=-1.9!) USER MOD Single : A 13 TYR OH : rot -32:sc= -1.98! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 162:sc= -0.0882 (180deg=-0.503) USER MOD Single : A 28 TYR OH : rot 42:sc= 0.191 USER MOD Single : A 32 THR OG1 : rot -15:sc= 0.872 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.767 (180deg=-1.35) USER MOD Single : A 37 MET CE :methyl -169:sc= -1.25 (180deg=-1.33!) USER MOD Single : A 39 MET CE :methyl -130:sc= -0.263 (180deg=-0.977) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.0168 (180deg=-0.167) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 99:sc= 1.23 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -82:sc= 0.0973 USER MOD Single : A 69 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -0.587 (180deg=-2.36!) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.276 (180deg=-0.283) USER MOD Single : A 79 THR OG1 : rot 73:sc= -0.166 USER MOD Single : A 80 ASN : amide:sc= -2.76! X(o=-2.8!,f=-2.6) USER MOD Single : A 82 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.2!) USER MOD Single : A 85 THR OG1 : rot -62:sc= 1.21 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.436 (180deg=-0.83) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -175:sc= -1.1 USER MOD Single : A 100 CYS SG : rot -23:sc= 0.2 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -175:sc= -5.92! (180deg=-6.35) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.853 -5.402 -4.330 1.00 3.78 N ATOM 2 CA SER A 1 -17.491 -5.935 -4.066 1.00 3.53 C ATOM 3 C SER A 1 -16.740 -5.042 -3.084 1.00 3.37 C ATOM 4 O SER A 1 -16.601 -3.839 -3.306 1.00 3.89 O ATOM 5 CB SER A 1 -16.703 -6.043 -5.373 1.00 3.95 C ATOM 6 OG SER A 1 -16.567 -4.776 -5.995 1.00 4.64 O ATOM 0 H1 SER A 1 -19.346 -6.026 -5.001 1.00 3.78 H new ATOM 0 H2 SER A 1 -19.388 -5.360 -3.439 1.00 3.78 H new ATOM 0 H3 SER A 1 -18.780 -4.447 -4.735 1.00 3.78 H new ATOM 0 HA SER A 1 -17.594 -6.927 -3.626 1.00 3.53 H new ATOM 0 HB2 SER A 1 -15.716 -6.461 -5.173 1.00 3.95 H new ATOM 0 HB3 SER A 1 -17.209 -6.731 -6.050 1.00 3.95 H new ATOM 0 HG SER A 1 -16.522 -4.078 -5.309 1.00 4.64 H new ATOM 14 N SER A 2 -16.259 -5.639 -1.997 1.00 3.06 N ATOM 15 CA SER A 2 -15.522 -4.898 -0.981 1.00 3.04 C ATOM 16 C SER A 2 -14.468 -5.783 -0.320 1.00 1.91 C ATOM 17 O SER A 2 -13.973 -5.473 0.765 1.00 2.39 O ATOM 18 CB SER A 2 -16.484 -4.348 0.075 1.00 4.03 C ATOM 19 OG SER A 2 -17.439 -3.478 -0.508 1.00 4.82 O ATOM 0 H SER A 2 -16.367 -6.634 -1.798 1.00 3.06 H new ATOM 0 HA SER A 2 -15.015 -4.065 -1.468 1.00 3.04 H new ATOM 0 HB2 SER A 2 -16.995 -5.173 0.571 1.00 4.03 H new ATOM 0 HB3 SER A 2 -15.921 -3.814 0.841 1.00 4.03 H new ATOM 0 HG SER A 2 -18.042 -3.142 0.187 1.00 4.82 H new ATOM 25 N THR A 3 -14.125 -6.883 -0.985 1.00 1.12 N ATOM 26 CA THR A 3 -13.131 -7.816 -0.465 1.00 0.81 C ATOM 27 C THR A 3 -11.831 -7.743 -1.260 1.00 0.72 C ATOM 28 O THR A 3 -11.685 -6.910 -2.156 1.00 0.87 O ATOM 29 CB THR A 3 -13.657 -9.263 -0.489 1.00 2.03 C ATOM 30 OG1 THR A 3 -14.004 -9.637 -1.829 1.00 2.79 O ATOM 31 CG2 THR A 3 -14.872 -9.410 0.413 1.00 2.21 C ATOM 0 H THR A 3 -14.522 -7.150 -1.886 1.00 1.12 H new ATOM 0 HA THR A 3 -12.934 -7.524 0.567 1.00 0.81 H new ATOM 0 HB THR A 3 -12.868 -9.919 -0.122 1.00 2.03 H new ATOM 0 HG1 THR A 3 -14.336 -10.559 -1.836 1.00 2.79 H new ATOM 0 HG21 THR A 3 -15.227 -10.440 0.381 1.00 2.21 H new ATOM 0 HG22 THR A 3 -14.599 -9.152 1.436 1.00 2.21 H new ATOM 0 HG23 THR A 3 -15.663 -8.743 0.070 1.00 2.21 H new ATOM 39 N THR A 4 -10.887 -8.622 -0.928 1.00 0.63 N ATOM 40 CA THR A 4 -9.596 -8.656 -1.609 1.00 0.58 C ATOM 41 C THR A 4 -9.565 -9.718 -2.702 1.00 0.56 C ATOM 42 O THR A 4 -10.071 -10.827 -2.523 1.00 0.75 O ATOM 43 CB THR A 4 -8.445 -8.937 -0.623 1.00 0.73 C ATOM 44 OG1 THR A 4 -8.699 -10.149 0.097 1.00 0.93 O ATOM 45 CG2 THR A 4 -8.277 -7.785 0.358 1.00 0.89 C ATOM 0 H THR A 4 -10.993 -9.320 -0.192 1.00 0.63 H new ATOM 0 HA THR A 4 -9.461 -7.671 -2.057 1.00 0.58 H new ATOM 0 HB THR A 4 -7.524 -9.042 -1.197 1.00 0.73 H new ATOM 0 HG1 THR A 4 -8.078 -10.845 -0.204 1.00 0.93 H new ATOM 0 HG21 THR A 4 -7.459 -8.007 1.043 1.00 0.89 H new ATOM 0 HG22 THR A 4 -8.053 -6.870 -0.190 1.00 0.89 H new ATOM 0 HG23 THR A 4 -9.199 -7.652 0.924 1.00 0.89 H new ATOM 53 N THR A 5 -8.966 -9.366 -3.836 1.00 0.47 N ATOM 54 CA THR A 5 -8.845 -10.285 -4.962 1.00 0.52 C ATOM 55 C THR A 5 -8.131 -11.562 -4.533 1.00 0.69 C ATOM 56 O THR A 5 -7.284 -11.535 -3.641 1.00 1.62 O ATOM 57 CB THR A 5 -8.066 -9.632 -6.124 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.763 -8.472 -6.588 1.00 0.49 O ATOM 59 CG2 THR A 5 -7.868 -10.598 -7.283 1.00 0.50 C ATOM 0 H THR A 5 -8.555 -8.447 -3.999 1.00 0.47 H new ATOM 0 HA THR A 5 -9.851 -10.529 -5.302 1.00 0.52 H new ATOM 0 HB THR A 5 -7.084 -9.351 -5.744 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.015 -7.914 -5.823 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.316 -10.101 -8.081 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.307 -11.467 -6.940 1.00 0.50 H new ATOM 0 HG23 THR A 5 -8.839 -10.919 -7.659 1.00 0.50 H new ATOM 67 N ASN A 6 -8.474 -12.678 -5.168 1.00 0.63 N ATOM 68 CA ASN A 6 -7.851 -13.960 -4.848 1.00 0.68 C ATOM 69 C ASN A 6 -6.370 -13.954 -5.221 1.00 0.57 C ATOM 70 O ASN A 6 -5.679 -14.963 -5.074 1.00 0.62 O ATOM 71 CB ASN A 6 -8.566 -15.097 -5.578 1.00 0.82 C ATOM 72 CG ASN A 6 -10.018 -15.228 -5.162 1.00 1.42 C ATOM 73 OD1 ASN A 6 -10.383 -14.915 -4.029 1.00 2.05 O ATOM 74 ND2 ASN A 6 -10.857 -15.696 -6.081 1.00 2.12 N ATOM 0 H ASN A 6 -9.178 -12.722 -5.905 1.00 0.63 H new ATOM 0 HA ASN A 6 -7.937 -14.117 -3.773 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -8.513 -14.925 -6.653 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -8.048 -16.035 -5.379 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -11.846 -15.808 -5.859 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -10.511 -15.943 -7.008 1.00 2.12 H new ATOM 81 N GLU A 7 -5.892 -12.812 -5.704 1.00 0.47 N ATOM 82 CA GLU A 7 -4.496 -12.665 -6.099 1.00 0.40 C ATOM 83 C GLU A 7 -3.671 -12.041 -4.979 1.00 0.42 C ATOM 84 O GLU A 7 -3.820 -10.859 -4.667 1.00 0.50 O ATOM 85 CB GLU A 7 -4.391 -11.806 -7.357 1.00 0.37 C ATOM 86 CG GLU A 7 -3.812 -12.543 -8.552 1.00 0.42 C ATOM 87 CD GLU A 7 -4.658 -13.728 -8.975 1.00 0.94 C ATOM 88 OE1 GLU A 7 -5.620 -13.525 -9.746 1.00 0.85 O ATOM 89 OE2 GLU A 7 -4.359 -14.858 -8.537 1.00 1.65 O ATOM 0 H GLU A 7 -6.454 -11.971 -5.832 1.00 0.47 H new ATOM 0 HA GLU A 7 -4.100 -13.659 -6.306 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.382 -11.434 -7.616 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.770 -10.936 -7.142 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.718 -11.852 -9.389 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.807 -12.888 -8.309 1.00 0.42 H new ATOM 96 N LYS A 8 -2.802 -12.845 -4.381 1.00 0.40 N ATOM 97 CA LYS A 8 -1.939 -12.381 -3.301 1.00 0.44 C ATOM 98 C LYS A 8 -0.788 -11.553 -3.865 1.00 0.41 C ATOM 99 O LYS A 8 -0.480 -10.469 -3.371 1.00 0.45 O ATOM 100 CB LYS A 8 -1.413 -13.588 -2.508 1.00 0.55 C ATOM 101 CG LYS A 8 0.100 -13.645 -2.347 1.00 0.60 C ATOM 102 CD LYS A 8 0.599 -12.651 -1.310 1.00 0.58 C ATOM 103 CE LYS A 8 2.104 -12.467 -1.391 1.00 0.70 C ATOM 104 NZ LYS A 8 2.830 -13.761 -1.279 1.00 1.44 N ATOM 0 H LYS A 8 -2.675 -13.827 -4.627 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.512 -11.744 -2.627 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -1.868 -13.579 -1.518 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -1.745 -14.501 -3.003 1.00 0.55 H new ATOM 0 HG2 LYS A 8 0.396 -14.653 -2.056 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.575 -13.438 -3.306 1.00 0.60 H new ATOM 0 HD2 LYS A 8 0.106 -11.690 -1.459 1.00 0.58 H new ATOM 0 HD3 LYS A 8 0.327 -12.997 -0.313 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.360 -11.988 -2.336 1.00 0.70 H new ATOM 0 HE3 LYS A 8 2.431 -11.798 -0.595 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 3.568 -13.683 -0.550 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 2.161 -14.513 -1.016 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 3.269 -13.993 -2.193 1.00 1.44 H new ATOM 118 N ILE A 9 -0.166 -12.083 -4.908 1.00 0.42 N ATOM 119 CA ILE A 9 0.957 -11.426 -5.560 1.00 0.43 C ATOM 120 C ILE A 9 0.470 -10.368 -6.546 1.00 0.36 C ATOM 121 O ILE A 9 -0.705 -10.002 -6.541 1.00 0.32 O ATOM 122 CB ILE A 9 1.833 -12.457 -6.305 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.191 -12.871 -7.640 1.00 0.53 C ATOM 124 CG2 ILE A 9 2.060 -13.680 -5.429 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.263 -13.290 -7.527 1.00 0.51 C ATOM 0 H ILE A 9 -0.424 -12.977 -5.325 1.00 0.42 H new ATOM 0 HA ILE A 9 1.553 -10.942 -4.786 1.00 0.43 H new ATOM 0 HB ILE A 9 2.794 -11.991 -6.524 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.264 -12.038 -8.339 1.00 0.53 H new ATOM 0 HG13 ILE A 9 1.763 -13.696 -8.065 1.00 0.53 H new ATOM 0 HG21 ILE A 9 2.679 -14.401 -5.964 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.564 -13.381 -4.510 1.00 0.62 H new ATOM 0 HG23 ILE A 9 1.100 -14.136 -5.185 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.640 -13.566 -8.512 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.344 -14.144 -6.855 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -0.851 -12.461 -7.133 1.00 0.51 H new ATOM 137 N THR A 10 1.375 -9.880 -7.392 1.00 0.38 N ATOM 138 CA THR A 10 1.008 -8.873 -8.379 1.00 0.36 C ATOM 139 C THR A 10 1.978 -8.819 -9.553 1.00 0.42 C ATOM 140 O THR A 10 1.684 -8.193 -10.562 1.00 0.57 O ATOM 141 CB THR A 10 0.887 -7.478 -7.756 1.00 0.37 C ATOM 142 OG1 THR A 10 1.302 -6.485 -8.689 1.00 0.34 O ATOM 143 CG2 THR A 10 1.711 -7.376 -6.485 1.00 0.39 C ATOM 0 H THR A 10 2.355 -10.162 -7.413 1.00 0.38 H new ATOM 0 HA THR A 10 0.033 -9.180 -8.757 1.00 0.36 H new ATOM 0 HB THR A 10 -0.159 -7.311 -7.499 1.00 0.37 H new ATOM 0 HG1 THR A 10 0.562 -6.279 -9.298 1.00 0.34 H new ATOM 0 HG21 THR A 10 1.607 -6.376 -6.063 1.00 0.39 H new ATOM 0 HG22 THR A 10 1.359 -8.113 -5.763 1.00 0.39 H new ATOM 0 HG23 THR A 10 2.759 -7.566 -6.715 1.00 0.39 H new ATOM 151 N LYS A 11 3.128 -9.471 -9.450 1.00 0.43 N ATOM 152 CA LYS A 11 4.049 -9.465 -10.576 1.00 0.52 C ATOM 153 C LYS A 11 3.298 -10.080 -11.748 1.00 0.54 C ATOM 154 O LYS A 11 3.498 -9.730 -12.911 1.00 0.65 O ATOM 155 CB LYS A 11 5.312 -10.274 -10.261 1.00 0.61 C ATOM 156 CG LYS A 11 6.560 -9.808 -11.001 1.00 0.71 C ATOM 157 CD LYS A 11 6.385 -9.925 -12.503 1.00 1.08 C ATOM 158 CE LYS A 11 5.993 -11.330 -12.920 1.00 0.69 C ATOM 159 NZ LYS A 11 6.287 -11.587 -14.356 1.00 1.09 N ATOM 0 H LYS A 11 3.438 -9.993 -8.630 1.00 0.43 H new ATOM 0 HA LYS A 11 4.377 -8.451 -10.803 1.00 0.52 H new ATOM 0 HB2 LYS A 11 5.501 -10.226 -9.189 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.129 -11.320 -10.506 1.00 0.61 H new ATOM 0 HG2 LYS A 11 6.777 -8.773 -10.737 1.00 0.71 H new ATOM 0 HG3 LYS A 11 7.417 -10.403 -10.685 1.00 0.71 H new ATOM 0 HD2 LYS A 11 5.622 -9.222 -12.835 1.00 1.08 H new ATOM 0 HD3 LYS A 11 7.314 -9.645 -12.999 1.00 1.08 H new ATOM 0 HE2 LYS A 11 6.528 -12.053 -12.305 1.00 0.69 H new ATOM 0 HE3 LYS A 11 4.929 -11.480 -12.735 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 5.958 -12.540 -14.613 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 5.797 -10.882 -14.942 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 7.312 -11.520 -14.518 1.00 1.09 H new ATOM 173 N LEU A 12 2.400 -10.987 -11.392 1.00 0.56 N ATOM 174 CA LEU A 12 1.539 -11.671 -12.339 1.00 0.72 C ATOM 175 C LEU A 12 0.550 -10.686 -12.951 1.00 0.94 C ATOM 176 O LEU A 12 0.172 -10.799 -14.117 1.00 1.09 O ATOM 177 CB LEU A 12 0.784 -12.779 -11.610 1.00 0.85 C ATOM 178 CG LEU A 12 1.511 -14.123 -11.528 1.00 1.76 C ATOM 179 CD1 LEU A 12 2.798 -13.996 -10.728 1.00 2.45 C ATOM 180 CD2 LEU A 12 0.604 -15.177 -10.914 1.00 2.34 C ATOM 0 H LEU A 12 2.249 -11.271 -10.424 1.00 0.56 H new ATOM 0 HA LEU A 12 2.143 -12.101 -13.138 1.00 0.72 H new ATOM 0 HB2 LEU A 12 0.565 -12.441 -10.597 1.00 0.85 H new ATOM 0 HB3 LEU A 12 -0.173 -12.932 -12.109 1.00 0.85 H new ATOM 0 HG LEU A 12 1.771 -14.433 -12.540 1.00 1.76 H new ATOM 0 HD11 LEU A 12 3.296 -14.964 -10.684 1.00 2.45 H new ATOM 0 HD12 LEU A 12 3.455 -13.271 -11.209 1.00 2.45 H new ATOM 0 HD13 LEU A 12 2.566 -13.661 -9.717 1.00 2.45 H new ATOM 0 HD21 LEU A 12 1.134 -16.128 -10.862 1.00 2.34 H new ATOM 0 HD22 LEU A 12 0.314 -14.868 -9.910 1.00 2.34 H new ATOM 0 HD23 LEU A 12 -0.288 -15.292 -11.529 1.00 2.34 H new ATOM 192 N TYR A 13 0.137 -9.720 -12.134 1.00 1.02 N ATOM 193 CA TYR A 13 -0.819 -8.698 -12.544 1.00 1.30 C ATOM 194 C TYR A 13 -0.371 -7.991 -13.824 1.00 1.42 C ATOM 195 O TYR A 13 -1.201 -7.495 -14.586 1.00 1.64 O ATOM 196 CB TYR A 13 -1.019 -7.701 -11.389 1.00 1.46 C ATOM 197 CG TYR A 13 -0.680 -6.266 -11.720 1.00 0.79 C ATOM 198 CD1 TYR A 13 -1.566 -5.497 -12.455 1.00 1.62 C ATOM 199 CD2 TYR A 13 0.504 -5.688 -11.298 1.00 0.84 C ATOM 200 CE1 TYR A 13 -1.281 -4.184 -12.768 1.00 2.38 C ATOM 201 CE2 TYR A 13 0.801 -4.374 -11.605 1.00 1.86 C ATOM 202 CZ TYR A 13 -0.097 -3.626 -12.342 1.00 2.53 C ATOM 203 OH TYR A 13 0.190 -2.320 -12.653 1.00 3.65 O ATOM 0 H TYR A 13 0.456 -9.625 -11.170 1.00 1.02 H new ATOM 0 HA TYR A 13 -1.773 -9.175 -12.771 1.00 1.30 H new ATOM 0 HB2 TYR A 13 -2.058 -7.748 -11.064 1.00 1.46 H new ATOM 0 HB3 TYR A 13 -0.407 -8.018 -10.545 1.00 1.46 H new ATOM 0 HD1 TYR A 13 -2.496 -5.932 -12.789 1.00 1.62 H new ATOM 0 HD2 TYR A 13 1.206 -6.272 -10.721 1.00 0.84 H new ATOM 0 HE1 TYR A 13 -1.982 -3.598 -13.343 1.00 2.38 H new ATOM 0 HE2 TYR A 13 1.729 -3.934 -11.271 1.00 1.86 H new ATOM 0 HH TYR A 13 -0.206 -2.096 -13.521 1.00 3.65 H new ATOM 213 N GLU A 14 0.935 -7.955 -14.068 1.00 1.33 N ATOM 214 CA GLU A 14 1.461 -7.305 -15.267 1.00 1.55 C ATOM 215 C GLU A 14 1.813 -8.332 -16.341 1.00 1.60 C ATOM 216 O GLU A 14 1.102 -8.464 -17.338 1.00 2.23 O ATOM 217 CB GLU A 14 2.688 -6.448 -14.937 1.00 1.72 C ATOM 218 CG GLU A 14 3.164 -6.575 -13.499 1.00 1.61 C ATOM 219 CD GLU A 14 4.266 -5.590 -13.166 1.00 1.85 C ATOM 220 OE1 GLU A 14 5.157 -5.386 -14.017 1.00 1.82 O ATOM 221 OE2 GLU A 14 4.237 -5.018 -12.056 1.00 2.53 O ATOM 0 H GLU A 14 1.644 -8.363 -13.459 1.00 1.33 H new ATOM 0 HA GLU A 14 0.678 -6.654 -15.655 1.00 1.55 H new ATOM 0 HB2 GLU A 14 3.503 -6.727 -15.604 1.00 1.72 H new ATOM 0 HB3 GLU A 14 2.453 -5.403 -15.140 1.00 1.72 H new ATOM 0 HG2 GLU A 14 2.322 -6.416 -12.825 1.00 1.61 H new ATOM 0 HG3 GLU A 14 3.523 -7.590 -13.326 1.00 1.61 H new ATOM 228 N LEU A 15 2.911 -9.056 -16.133 1.00 1.56 N ATOM 229 CA LEU A 15 3.357 -10.071 -17.086 1.00 1.66 C ATOM 230 C LEU A 15 3.570 -9.467 -18.471 1.00 1.98 C ATOM 231 O LEU A 15 3.603 -10.183 -19.474 1.00 2.56 O ATOM 232 CB LEU A 15 2.343 -11.218 -17.163 1.00 1.80 C ATOM 233 CG LEU A 15 2.339 -12.166 -15.961 1.00 1.98 C ATOM 234 CD1 LEU A 15 1.240 -13.208 -16.110 1.00 2.55 C ATOM 235 CD2 LEU A 15 3.695 -12.840 -15.807 1.00 1.86 C ATOM 0 H LEU A 15 3.509 -8.959 -15.312 1.00 1.56 H new ATOM 0 HA LEU A 15 4.310 -10.465 -16.733 1.00 1.66 H new ATOM 0 HB2 LEU A 15 1.345 -10.793 -17.274 1.00 1.80 H new ATOM 0 HB3 LEU A 15 2.543 -11.799 -18.063 1.00 1.80 H new ATOM 0 HG LEU A 15 2.142 -11.582 -15.062 1.00 1.98 H new ATOM 0 HD11 LEU A 15 1.251 -13.874 -15.247 1.00 2.55 H new ATOM 0 HD12 LEU A 15 0.272 -12.710 -16.172 1.00 2.55 H new ATOM 0 HD13 LEU A 15 1.409 -13.787 -17.018 1.00 2.55 H new ATOM 0 HD21 LEU A 15 3.673 -13.510 -14.947 1.00 1.86 H new ATOM 0 HD22 LEU A 15 3.921 -13.412 -16.707 1.00 1.86 H new ATOM 0 HD23 LEU A 15 4.463 -12.082 -15.656 1.00 1.86 H new ATOM 247 N GLY A 16 3.722 -8.147 -18.518 1.00 1.91 N ATOM 248 CA GLY A 16 3.933 -7.465 -19.780 1.00 2.22 C ATOM 249 C GLY A 16 4.733 -6.189 -19.617 1.00 1.97 C ATOM 250 O GLY A 16 4.169 -5.120 -19.381 1.00 2.27 O ATOM 0 H GLY A 16 3.703 -7.537 -17.701 1.00 1.91 H new ATOM 0 HA2 GLY A 16 4.453 -8.132 -20.468 1.00 2.22 H new ATOM 0 HA3 GLY A 16 2.968 -7.231 -20.230 1.00 2.22 H new ATOM 254 N GLY A 17 6.052 -6.303 -19.741 1.00 1.84 N ATOM 255 CA GLY A 17 6.914 -5.146 -19.596 1.00 1.71 C ATOM 256 C GLY A 17 6.993 -4.666 -18.160 1.00 1.63 C ATOM 257 O GLY A 17 6.625 -5.391 -17.236 1.00 2.45 O ATOM 0 H GLY A 17 6.539 -7.177 -19.939 1.00 1.84 H new ATOM 0 HA2 GLY A 17 7.915 -5.394 -19.950 1.00 1.71 H new ATOM 0 HA3 GLY A 17 6.544 -4.338 -20.227 1.00 1.71 H new ATOM 261 N GLU A 18 7.479 -3.441 -17.975 1.00 1.16 N ATOM 262 CA GLU A 18 7.604 -2.859 -16.642 1.00 0.97 C ATOM 263 C GLU A 18 8.430 -3.755 -15.724 1.00 0.88 C ATOM 264 O GLU A 18 7.907 -4.320 -14.763 1.00 0.81 O ATOM 265 CB GLU A 18 6.220 -2.612 -16.036 1.00 0.88 C ATOM 266 CG GLU A 18 5.393 -1.590 -16.801 1.00 1.36 C ATOM 267 CD GLU A 18 6.072 -0.237 -16.889 1.00 1.94 C ATOM 268 OE1 GLU A 18 5.924 0.564 -15.942 1.00 2.69 O ATOM 269 OE2 GLU A 18 6.751 0.021 -17.904 1.00 2.24 O ATOM 0 H GLU A 18 7.792 -2.833 -18.731 1.00 1.16 H new ATOM 0 HA GLU A 18 8.123 -1.905 -16.740 1.00 0.97 H new ATOM 0 HB2 GLU A 18 5.675 -3.555 -16.001 1.00 0.88 H new ATOM 0 HB3 GLU A 18 6.339 -2.274 -15.007 1.00 0.88 H new ATOM 0 HG2 GLU A 18 5.202 -1.963 -17.807 1.00 1.36 H new ATOM 0 HG3 GLU A 18 4.424 -1.475 -16.315 1.00 1.36 H new ATOM 276 N PRO A 19 9.737 -3.899 -16.008 1.00 0.92 N ATOM 277 CA PRO A 19 10.631 -4.725 -15.195 1.00 0.87 C ATOM 278 C PRO A 19 10.895 -4.100 -13.832 1.00 0.77 C ATOM 279 O PRO A 19 10.940 -4.794 -12.816 1.00 0.77 O ATOM 280 CB PRO A 19 11.918 -4.779 -16.022 1.00 0.98 C ATOM 281 CG PRO A 19 11.892 -3.531 -16.833 1.00 1.05 C ATOM 282 CD PRO A 19 10.447 -3.276 -17.144 1.00 1.05 C ATOM 0 HA PRO A 19 10.209 -5.708 -14.985 1.00 0.87 H new ATOM 0 HB2 PRO A 19 12.800 -4.818 -15.382 1.00 0.98 H new ATOM 0 HB3 PRO A 19 11.945 -5.665 -16.657 1.00 0.98 H new ATOM 0 HG2 PRO A 19 12.326 -2.697 -16.282 1.00 1.05 H new ATOM 0 HG3 PRO A 19 12.474 -3.646 -17.747 1.00 1.05 H new ATOM 0 HD2 PRO A 19 10.233 -2.209 -17.215 1.00 1.05 H new ATOM 0 HD3 PRO A 19 10.155 -3.723 -18.094 1.00 1.05 H new ATOM 290 N GLU A 20 11.067 -2.783 -13.820 1.00 0.72 N ATOM 291 CA GLU A 20 11.316 -2.059 -12.581 1.00 0.64 C ATOM 292 C GLU A 20 10.079 -2.095 -11.691 1.00 0.56 C ATOM 293 O GLU A 20 10.182 -2.267 -10.477 1.00 0.46 O ATOM 294 CB GLU A 20 11.703 -0.609 -12.879 1.00 0.65 C ATOM 295 CG GLU A 20 12.891 -0.476 -13.818 1.00 0.74 C ATOM 296 CD GLU A 20 14.149 -1.114 -13.262 1.00 1.61 C ATOM 297 OE1 GLU A 20 14.866 -0.439 -12.494 1.00 1.54 O ATOM 298 OE2 GLU A 20 14.417 -2.287 -13.595 1.00 2.56 O ATOM 0 H GLU A 20 11.038 -2.196 -14.654 1.00 0.72 H new ATOM 0 HA GLU A 20 12.142 -2.542 -12.059 1.00 0.64 H new ATOM 0 HB2 GLU A 20 10.846 -0.096 -13.316 1.00 0.65 H new ATOM 0 HB3 GLU A 20 11.934 -0.103 -11.941 1.00 0.65 H new ATOM 0 HG2 GLU A 20 12.646 -0.938 -14.775 1.00 0.74 H new ATOM 0 HG3 GLU A 20 13.079 0.580 -14.012 1.00 0.74 H new ATOM 305 N ARG A 21 8.912 -1.929 -12.307 1.00 0.61 N ATOM 306 CA ARG A 21 7.648 -1.950 -11.578 1.00 0.55 C ATOM 307 C ARG A 21 7.323 -3.352 -11.085 1.00 0.49 C ATOM 308 O ARG A 21 6.786 -3.521 -9.992 1.00 0.40 O ATOM 309 CB ARG A 21 6.516 -1.421 -12.459 1.00 0.63 C ATOM 310 CG ARG A 21 6.392 0.095 -12.454 1.00 0.78 C ATOM 311 CD ARG A 21 7.680 0.775 -12.896 1.00 1.54 C ATOM 312 NE ARG A 21 8.107 0.332 -14.221 1.00 2.01 N ATOM 313 CZ ARG A 21 8.832 1.078 -15.049 1.00 2.86 C ATOM 314 NH1 ARG A 21 9.203 2.302 -14.695 1.00 3.36 N ATOM 315 NH2 ARG A 21 9.186 0.599 -16.234 1.00 3.57 N ATOM 0 H ARG A 21 8.816 -1.778 -13.311 1.00 0.61 H new ATOM 0 HA ARG A 21 7.750 -1.301 -10.708 1.00 0.55 H new ATOM 0 HB2 ARG A 21 6.676 -1.760 -13.483 1.00 0.63 H new ATOM 0 HB3 ARG A 21 5.574 -1.854 -12.123 1.00 0.63 H new ATOM 0 HG2 ARG A 21 5.579 0.394 -13.115 1.00 0.78 H new ATOM 0 HG3 ARG A 21 6.129 0.434 -11.452 1.00 0.78 H new ATOM 0 HD2 ARG A 21 7.535 1.855 -12.904 1.00 1.54 H new ATOM 0 HD3 ARG A 21 8.468 0.565 -12.172 1.00 1.54 H new ATOM 0 HE ARG A 21 7.834 -0.602 -14.528 1.00 2.01 H new ATOM 0 HH11 ARG A 21 8.932 2.674 -13.785 1.00 3.36 H new ATOM 0 HH12 ARG A 21 9.759 2.871 -15.333 1.00 3.36 H new ATOM 0 HH21 ARG A 21 8.902 -0.341 -16.510 1.00 3.57 H new ATOM 0 HH22 ARG A 21 9.742 1.171 -16.870 1.00 3.57 H new ATOM 329 N LYS A 22 7.641 -4.358 -11.894 1.00 0.56 N ATOM 330 CA LYS A 22 7.384 -5.735 -11.504 1.00 0.54 C ATOM 331 C LYS A 22 8.339 -6.136 -10.385 1.00 0.48 C ATOM 332 O LYS A 22 7.983 -6.908 -9.493 1.00 0.44 O ATOM 333 CB LYS A 22 7.509 -6.668 -12.713 1.00 0.68 C ATOM 334 CG LYS A 22 8.806 -7.457 -12.773 1.00 0.64 C ATOM 335 CD LYS A 22 9.093 -7.924 -14.192 1.00 0.72 C ATOM 336 CE LYS A 22 10.431 -8.641 -14.284 1.00 0.79 C ATOM 337 NZ LYS A 22 10.753 -9.039 -15.682 1.00 1.43 N ATOM 0 H LYS A 22 8.072 -4.246 -12.812 1.00 0.56 H new ATOM 0 HA LYS A 22 6.363 -5.822 -11.131 1.00 0.54 H new ATOM 0 HB2 LYS A 22 6.674 -7.368 -12.703 1.00 0.68 H new ATOM 0 HB3 LYS A 22 7.417 -6.076 -13.623 1.00 0.68 H new ATOM 0 HG2 LYS A 22 9.629 -6.838 -12.416 1.00 0.64 H new ATOM 0 HG3 LYS A 22 8.743 -8.318 -12.108 1.00 0.64 H new ATOM 0 HD2 LYS A 22 8.298 -8.592 -14.524 1.00 0.72 H new ATOM 0 HD3 LYS A 22 9.091 -7.067 -14.865 1.00 0.72 H new ATOM 0 HE2 LYS A 22 11.218 -7.991 -13.901 1.00 0.79 H new ATOM 0 HE3 LYS A 22 10.412 -9.527 -13.649 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 11.672 -9.525 -15.702 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 10.016 -9.679 -16.039 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 10.796 -8.191 -16.283 1.00 1.43 H new ATOM 351 N MET A 23 9.557 -5.599 -10.436 1.00 0.50 N ATOM 352 CA MET A 23 10.548 -5.883 -9.409 1.00 0.48 C ATOM 353 C MET A 23 10.114 -5.249 -8.097 1.00 0.39 C ATOM 354 O MET A 23 10.106 -5.903 -7.057 1.00 0.38 O ATOM 355 CB MET A 23 11.920 -5.346 -9.822 1.00 0.54 C ATOM 356 CG MET A 23 12.966 -5.429 -8.720 1.00 0.56 C ATOM 357 SD MET A 23 13.371 -7.126 -8.265 1.00 1.25 S ATOM 358 CE MET A 23 14.164 -7.702 -9.765 1.00 1.23 C ATOM 0 H MET A 23 9.876 -4.970 -11.173 1.00 0.50 H new ATOM 0 HA MET A 23 10.626 -6.963 -9.283 1.00 0.48 H new ATOM 0 HB2 MET A 23 12.273 -5.905 -10.689 1.00 0.54 H new ATOM 0 HB3 MET A 23 11.815 -4.307 -10.134 1.00 0.54 H new ATOM 0 HG2 MET A 23 13.872 -4.919 -9.047 1.00 0.56 H new ATOM 0 HG3 MET A 23 12.602 -4.899 -7.840 1.00 0.56 H new ATOM 0 HE1 MET A 23 14.746 -8.598 -9.548 1.00 1.23 H new ATOM 0 HE2 MET A 23 13.405 -7.934 -10.512 1.00 1.23 H new ATOM 0 HE3 MET A 23 14.825 -6.925 -10.149 1.00 1.23 H new ATOM 368 N TRP A 24 9.729 -3.976 -8.167 1.00 0.37 N ATOM 369 CA TRP A 24 9.275 -3.246 -6.991 1.00 0.31 C ATOM 370 C TRP A 24 8.051 -3.927 -6.398 1.00 0.25 C ATOM 371 O TRP A 24 7.940 -4.092 -5.179 1.00 0.29 O ATOM 372 CB TRP A 24 8.944 -1.792 -7.352 1.00 0.34 C ATOM 373 CG TRP A 24 10.146 -0.897 -7.438 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.228 -0.890 -6.603 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.374 0.141 -8.398 1.00 0.95 C ATOM 376 NE1 TRP A 24 12.117 0.084 -6.992 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.616 0.730 -8.091 1.00 1.01 C ATOM 378 CE3 TRP A 24 9.650 0.626 -9.491 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.146 1.779 -8.837 1.00 1.49 C ATOM 380 CZ3 TRP A 24 10.179 1.668 -10.231 1.00 2.34 C ATOM 381 CH2 TRP A 24 11.417 2.234 -9.901 1.00 2.12 C ATOM 0 H TRP A 24 9.723 -3.430 -9.029 1.00 0.37 H new ATOM 0 HA TRP A 24 10.077 -3.245 -6.253 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.422 -1.775 -8.309 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.257 -1.391 -6.607 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.365 -1.552 -5.761 1.00 1.02 H new ATOM 0 HE1 TRP A 24 13.005 0.292 -6.536 1.00 1.14 H new ATOM 0 HE3 TRP A 24 8.695 0.195 -9.753 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 13.100 2.218 -8.584 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 9.628 2.052 -11.077 1.00 2.34 H new ATOM 0 HH2 TRP A 24 11.804 3.046 -10.499 1.00 2.12 H new ATOM 392 N VAL A 25 7.129 -4.332 -7.267 1.00 0.21 N ATOM 393 CA VAL A 25 5.926 -5.004 -6.819 1.00 0.20 C ATOM 394 C VAL A 25 6.302 -6.306 -6.111 1.00 0.22 C ATOM 395 O VAL A 25 5.722 -6.661 -5.080 1.00 0.22 O ATOM 396 CB VAL A 25 4.931 -5.268 -7.983 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.023 -6.700 -8.495 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.518 -4.953 -7.533 1.00 0.30 C ATOM 0 H VAL A 25 7.196 -4.205 -8.277 1.00 0.21 H new ATOM 0 HA VAL A 25 5.412 -4.347 -6.117 1.00 0.20 H new ATOM 0 HB VAL A 25 5.201 -4.612 -8.811 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.311 -6.842 -9.308 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.032 -6.892 -8.859 1.00 0.32 H new ATOM 0 HG13 VAL A 25 4.792 -7.392 -7.685 1.00 0.32 H new ATOM 0 HG21 VAL A 25 2.825 -5.140 -8.353 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.256 -5.586 -6.685 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.455 -3.906 -7.237 1.00 0.30 H new ATOM 408 N ASP A 26 7.291 -7.009 -6.662 1.00 0.28 N ATOM 409 CA ASP A 26 7.761 -8.245 -6.057 1.00 0.35 C ATOM 410 C ASP A 26 8.372 -7.934 -4.697 1.00 0.35 C ATOM 411 O ASP A 26 8.290 -8.738 -3.769 1.00 0.38 O ATOM 412 CB ASP A 26 8.787 -8.935 -6.958 1.00 0.45 C ATOM 413 CG ASP A 26 9.349 -10.198 -6.332 1.00 0.53 C ATOM 414 OD1 ASP A 26 10.370 -10.104 -5.620 1.00 0.58 O ATOM 415 OD2 ASP A 26 8.767 -11.279 -6.556 1.00 0.60 O ATOM 0 H ASP A 26 7.776 -6.743 -7.519 1.00 0.28 H new ATOM 0 HA ASP A 26 6.918 -8.924 -5.931 1.00 0.35 H new ATOM 0 HB2 ASP A 26 8.321 -9.182 -7.912 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.603 -8.244 -7.171 1.00 0.45 H new ATOM 420 N ARG A 27 8.995 -6.757 -4.586 1.00 0.36 N ATOM 421 CA ARG A 27 9.577 -6.333 -3.320 1.00 0.42 C ATOM 422 C ARG A 27 8.460 -6.228 -2.300 1.00 0.34 C ATOM 423 O ARG A 27 8.605 -6.638 -1.149 1.00 0.35 O ATOM 424 CB ARG A 27 10.286 -4.979 -3.448 1.00 0.56 C ATOM 425 CG ARG A 27 11.383 -4.941 -4.494 1.00 0.99 C ATOM 426 CD ARG A 27 12.421 -6.024 -4.256 1.00 1.61 C ATOM 427 NE ARG A 27 13.012 -5.933 -2.923 1.00 2.45 N ATOM 428 CZ ARG A 27 14.279 -6.234 -2.655 1.00 3.19 C ATOM 429 NH1 ARG A 27 15.089 -6.633 -3.625 1.00 3.22 N ATOM 430 NH2 ARG A 27 14.737 -6.136 -1.414 1.00 4.08 N ATOM 0 H ARG A 27 9.106 -6.091 -5.351 1.00 0.36 H new ATOM 0 HA ARG A 27 10.323 -7.065 -3.010 1.00 0.42 H new ATOM 0 HB2 ARG A 27 9.545 -4.216 -3.689 1.00 0.56 H new ATOM 0 HB3 ARG A 27 10.714 -4.714 -2.481 1.00 0.56 H new ATOM 0 HG2 ARG A 27 10.946 -5.066 -5.485 1.00 0.99 H new ATOM 0 HG3 ARG A 27 11.866 -3.964 -4.480 1.00 0.99 H new ATOM 0 HD2 ARG A 27 11.959 -7.003 -4.381 1.00 1.61 H new ATOM 0 HD3 ARG A 27 13.207 -5.944 -5.007 1.00 1.61 H new ATOM 0 HE ARG A 27 12.419 -5.621 -2.154 1.00 2.45 H new ATOM 0 HH11 ARG A 27 14.741 -6.710 -4.581 1.00 3.22 H new ATOM 0 HH12 ARG A 27 16.060 -6.863 -3.416 1.00 3.22 H new ATOM 0 HH21 ARG A 27 14.117 -5.830 -0.664 1.00 4.08 H new ATOM 0 HH22 ARG A 27 15.709 -6.367 -1.209 1.00 4.08 H new ATOM 444 N TYR A 28 7.338 -5.665 -2.746 1.00 0.31 N ATOM 445 CA TYR A 28 6.164 -5.527 -1.900 1.00 0.35 C ATOM 446 C TYR A 28 5.701 -6.905 -1.456 1.00 0.33 C ATOM 447 O TYR A 28 5.291 -7.098 -0.312 1.00 0.38 O ATOM 448 CB TYR A 28 5.045 -4.800 -2.656 1.00 0.41 C ATOM 449 CG TYR A 28 3.815 -4.501 -1.822 1.00 0.72 C ATOM 450 CD1 TYR A 28 3.893 -4.353 -0.440 1.00 0.98 C ATOM 451 CD2 TYR A 28 2.571 -4.364 -2.424 1.00 1.47 C ATOM 452 CE1 TYR A 28 2.767 -4.079 0.313 1.00 1.22 C ATOM 453 CE2 TYR A 28 1.443 -4.089 -1.678 1.00 1.82 C ATOM 454 CZ TYR A 28 1.545 -3.948 -0.310 1.00 1.48 C ATOM 455 OH TYR A 28 0.422 -3.676 0.436 1.00 1.87 O ATOM 0 H TYR A 28 7.222 -5.298 -3.691 1.00 0.31 H new ATOM 0 HA TYR A 28 6.418 -4.935 -1.021 1.00 0.35 H new ATOM 0 HB2 TYR A 28 5.439 -3.863 -3.049 1.00 0.41 H new ATOM 0 HB3 TYR A 28 4.749 -5.406 -3.513 1.00 0.41 H new ATOM 0 HD1 TYR A 28 4.849 -4.454 0.052 1.00 0.98 H new ATOM 0 HD2 TYR A 28 2.485 -4.475 -3.495 1.00 1.47 H new ATOM 0 HE1 TYR A 28 2.844 -3.968 1.384 1.00 1.22 H new ATOM 0 HE2 TYR A 28 0.484 -3.985 -2.164 1.00 1.82 H new ATOM 0 HH TYR A 28 0.637 -3.008 1.120 1.00 1.87 H new ATOM 465 N LEU A 29 5.763 -7.861 -2.379 1.00 0.34 N ATOM 466 CA LEU A 29 5.380 -9.235 -2.078 1.00 0.45 C ATOM 467 C LEU A 29 6.237 -9.783 -0.939 1.00 0.41 C ATOM 468 O LEU A 29 5.726 -10.357 0.030 1.00 0.44 O ATOM 469 CB LEU A 29 5.539 -10.106 -3.329 1.00 0.59 C ATOM 470 CG LEU A 29 4.328 -10.155 -4.270 1.00 0.74 C ATOM 471 CD1 LEU A 29 3.444 -8.925 -4.119 1.00 0.97 C ATOM 472 CD2 LEU A 29 4.788 -10.296 -5.708 1.00 1.33 C ATOM 0 H LEU A 29 6.074 -7.709 -3.338 1.00 0.34 H new ATOM 0 HA LEU A 29 4.336 -9.252 -1.766 1.00 0.45 H new ATOM 0 HB2 LEU A 29 6.399 -9.744 -3.893 1.00 0.59 H new ATOM 0 HB3 LEU A 29 5.770 -11.123 -3.013 1.00 0.59 H new ATOM 0 HG LEU A 29 3.732 -11.025 -3.995 1.00 0.74 H new ATOM 0 HD11 LEU A 29 2.598 -8.999 -4.802 1.00 0.97 H new ATOM 0 HD12 LEU A 29 3.078 -8.864 -3.094 1.00 0.97 H new ATOM 0 HD13 LEU A 29 4.022 -8.031 -4.352 1.00 0.97 H new ATOM 0 HD21 LEU A 29 3.920 -10.330 -6.366 1.00 1.33 H new ATOM 0 HD22 LEU A 29 5.413 -9.444 -5.975 1.00 1.33 H new ATOM 0 HD23 LEU A 29 5.362 -11.216 -5.818 1.00 1.33 H new ATOM 484 N ALA A 30 7.548 -9.585 -1.051 1.00 0.41 N ATOM 485 CA ALA A 30 8.475 -10.040 -0.025 1.00 0.48 C ATOM 486 C ALA A 30 8.225 -9.281 1.269 1.00 0.38 C ATOM 487 O ALA A 30 8.411 -9.814 2.362 1.00 0.42 O ATOM 488 CB ALA A 30 9.915 -9.859 -0.484 1.00 0.63 C ATOM 0 H ALA A 30 7.989 -9.114 -1.841 1.00 0.41 H new ATOM 0 HA ALA A 30 8.310 -11.103 0.153 1.00 0.48 H new ATOM 0 HB1 ALA A 30 10.592 -10.205 0.297 1.00 0.63 H new ATOM 0 HB2 ALA A 30 10.083 -10.438 -1.392 1.00 0.63 H new ATOM 0 HB3 ALA A 30 10.103 -8.804 -0.686 1.00 0.63 H new ATOM 494 N PHE A 31 7.800 -8.028 1.130 1.00 0.33 N ATOM 495 CA PHE A 31 7.510 -7.189 2.281 1.00 0.37 C ATOM 496 C PHE A 31 6.340 -7.758 3.069 1.00 0.34 C ATOM 497 O PHE A 31 6.406 -7.865 4.290 1.00 0.38 O ATOM 498 CB PHE A 31 7.196 -5.758 1.836 1.00 0.48 C ATOM 499 CG PHE A 31 6.756 -4.862 2.960 1.00 0.65 C ATOM 500 CD1 PHE A 31 7.683 -4.327 3.839 1.00 0.78 C ATOM 501 CD2 PHE A 31 5.416 -4.555 3.134 1.00 0.82 C ATOM 502 CE1 PHE A 31 7.282 -3.503 4.873 1.00 0.95 C ATOM 503 CE2 PHE A 31 5.009 -3.730 4.166 1.00 0.99 C ATOM 504 CZ PHE A 31 5.939 -3.210 5.040 1.00 1.02 C ATOM 0 H PHE A 31 7.650 -7.574 0.229 1.00 0.33 H new ATOM 0 HA PHE A 31 8.391 -7.170 2.923 1.00 0.37 H new ATOM 0 HB2 PHE A 31 8.081 -5.330 1.366 1.00 0.48 H new ATOM 0 HB3 PHE A 31 6.414 -5.786 1.077 1.00 0.48 H new ATOM 0 HD1 PHE A 31 8.731 -4.556 3.715 1.00 0.78 H new ATOM 0 HD2 PHE A 31 4.682 -4.965 2.456 1.00 0.82 H new ATOM 0 HE1 PHE A 31 8.015 -3.088 5.550 1.00 0.95 H new ATOM 0 HE2 PHE A 31 3.962 -3.493 4.287 1.00 0.99 H new ATOM 0 HZ PHE A 31 5.621 -2.575 5.854 1.00 1.02 H new ATOM 514 N THR A 32 5.278 -8.146 2.362 1.00 0.36 N ATOM 515 CA THR A 32 4.102 -8.710 3.013 1.00 0.46 C ATOM 516 C THR A 32 4.460 -10.020 3.693 1.00 0.43 C ATOM 517 O THR A 32 4.049 -10.277 4.825 1.00 0.48 O ATOM 518 CB THR A 32 2.950 -8.952 2.016 1.00 0.57 C ATOM 519 OG1 THR A 32 3.416 -9.717 0.899 1.00 0.56 O ATOM 520 CG2 THR A 32 2.367 -7.635 1.530 1.00 0.60 C ATOM 0 H THR A 32 5.211 -8.080 1.346 1.00 0.36 H new ATOM 0 HA THR A 32 3.763 -7.985 3.753 1.00 0.46 H new ATOM 0 HB THR A 32 2.167 -9.508 2.532 1.00 0.57 H new ATOM 0 HG1 THR A 32 4.396 -9.710 0.883 1.00 0.56 H new ATOM 0 HG21 THR A 32 1.557 -7.833 0.828 1.00 0.60 H new ATOM 0 HG22 THR A 32 1.982 -7.072 2.380 1.00 0.60 H new ATOM 0 HG23 THR A 32 3.144 -7.055 1.033 1.00 0.60 H new ATOM 528 N GLU A 33 5.232 -10.847 2.996 1.00 0.43 N ATOM 529 CA GLU A 33 5.666 -12.123 3.550 1.00 0.50 C ATOM 530 C GLU A 33 6.588 -11.893 4.746 1.00 0.45 C ATOM 531 O GLU A 33 6.636 -12.698 5.674 1.00 0.46 O ATOM 532 CB GLU A 33 6.383 -12.952 2.483 1.00 0.64 C ATOM 533 CG GLU A 33 5.511 -13.284 1.283 1.00 0.47 C ATOM 534 CD GLU A 33 6.273 -14.008 0.190 1.00 1.01 C ATOM 535 OE1 GLU A 33 6.873 -13.325 -0.666 1.00 1.45 O ATOM 536 OE2 GLU A 33 6.267 -15.257 0.189 1.00 1.10 O ATOM 0 H GLU A 33 5.568 -10.658 2.052 1.00 0.43 H new ATOM 0 HA GLU A 33 4.786 -12.673 3.885 1.00 0.50 H new ATOM 0 HB2 GLU A 33 7.263 -12.407 2.142 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.737 -13.880 2.933 1.00 0.64 H new ATOM 0 HG2 GLU A 33 4.674 -13.902 1.607 1.00 0.47 H new ATOM 0 HG3 GLU A 33 5.090 -12.363 0.879 1.00 0.47 H new ATOM 543 N GLU A 34 7.318 -10.780 4.704 1.00 0.45 N ATOM 544 CA GLU A 34 8.259 -10.420 5.763 1.00 0.52 C ATOM 545 C GLU A 34 7.575 -10.280 7.122 1.00 0.49 C ATOM 546 O GLU A 34 8.103 -10.729 8.139 1.00 0.55 O ATOM 547 CB GLU A 34 8.958 -9.109 5.402 1.00 0.61 C ATOM 548 CG GLU A 34 10.075 -8.727 6.360 1.00 0.73 C ATOM 549 CD GLU A 34 10.876 -7.535 5.873 1.00 1.37 C ATOM 550 OE1 GLU A 34 10.479 -6.390 6.175 1.00 2.24 O ATOM 551 OE2 GLU A 34 11.900 -7.747 5.190 1.00 1.28 O ATOM 0 H GLU A 34 7.275 -10.106 3.940 1.00 0.45 H new ATOM 0 HA GLU A 34 8.987 -11.227 5.845 1.00 0.52 H new ATOM 0 HB2 GLU A 34 9.367 -9.191 4.395 1.00 0.61 H new ATOM 0 HB3 GLU A 34 8.219 -8.308 5.381 1.00 0.61 H new ATOM 0 HG2 GLU A 34 9.649 -8.500 7.337 1.00 0.73 H new ATOM 0 HG3 GLU A 34 10.742 -9.579 6.493 1.00 0.73 H new ATOM 558 N LYS A 35 6.399 -9.657 7.137 1.00 0.47 N ATOM 559 CA LYS A 35 5.660 -9.451 8.380 1.00 0.53 C ATOM 560 C LYS A 35 4.932 -10.717 8.808 1.00 0.45 C ATOM 561 O LYS A 35 4.120 -10.688 9.733 1.00 0.55 O ATOM 562 CB LYS A 35 4.647 -8.314 8.223 1.00 0.74 C ATOM 563 CG LYS A 35 5.199 -7.117 7.473 1.00 0.97 C ATOM 564 CD LYS A 35 4.534 -6.967 6.118 1.00 1.26 C ATOM 565 CE LYS A 35 3.153 -6.346 6.237 1.00 2.35 C ATOM 566 NZ LYS A 35 2.445 -6.308 4.928 1.00 3.30 N ATOM 0 H LYS A 35 5.939 -9.287 6.305 1.00 0.47 H new ATOM 0 HA LYS A 35 6.386 -9.188 9.149 1.00 0.53 H new ATOM 0 HB2 LYS A 35 3.769 -8.689 7.698 1.00 0.74 H new ATOM 0 HB3 LYS A 35 4.315 -7.994 9.211 1.00 0.74 H new ATOM 0 HG2 LYS A 35 5.043 -6.212 8.060 1.00 0.97 H new ATOM 0 HG3 LYS A 35 6.275 -7.230 7.343 1.00 0.97 H new ATOM 0 HD2 LYS A 35 5.157 -6.348 5.473 1.00 1.26 H new ATOM 0 HD3 LYS A 35 4.454 -7.944 5.641 1.00 1.26 H new ATOM 0 HE2 LYS A 35 2.560 -6.914 6.954 1.00 2.35 H new ATOM 0 HE3 LYS A 35 3.243 -5.333 6.630 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 1.663 -5.624 4.976 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 3.110 -6.021 4.182 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 2.067 -7.252 4.710 1.00 3.30 H new ATOM 580 N ALA A 36 5.220 -11.825 8.129 1.00 0.43 N ATOM 581 CA ALA A 36 4.558 -13.088 8.429 1.00 0.63 C ATOM 582 C ALA A 36 3.066 -12.934 8.180 1.00 0.78 C ATOM 583 O ALA A 36 2.252 -13.747 8.617 1.00 0.99 O ATOM 584 CB ALA A 36 4.829 -13.519 9.865 1.00 0.74 C ATOM 0 H ALA A 36 5.903 -11.872 7.373 1.00 0.43 H new ATOM 0 HA ALA A 36 4.955 -13.867 7.778 1.00 0.63 H new ATOM 0 HB1 ALA A 36 4.324 -14.464 10.063 1.00 0.74 H new ATOM 0 HB2 ALA A 36 5.902 -13.644 10.011 1.00 0.74 H new ATOM 0 HB3 ALA A 36 4.456 -12.758 10.550 1.00 0.74 H new ATOM 590 N MET A 37 2.731 -11.867 7.459 1.00 0.79 N ATOM 591 CA MET A 37 1.355 -11.540 7.121 1.00 1.04 C ATOM 592 C MET A 37 0.696 -12.674 6.343 1.00 1.22 C ATOM 593 O MET A 37 -0.529 -12.733 6.229 1.00 1.43 O ATOM 594 CB MET A 37 1.340 -10.253 6.298 1.00 1.08 C ATOM 595 CG MET A 37 0.129 -9.372 6.546 1.00 1.38 C ATOM 596 SD MET A 37 -1.337 -9.925 5.656 1.00 2.05 S ATOM 597 CE MET A 37 -0.779 -9.785 3.958 1.00 1.97 C ATOM 0 H MET A 37 3.413 -11.203 7.092 1.00 0.79 H new ATOM 0 HA MET A 37 0.787 -11.398 8.040 1.00 1.04 H new ATOM 0 HB2 MET A 37 2.242 -9.683 6.519 1.00 1.08 H new ATOM 0 HB3 MET A 37 1.377 -10.511 5.240 1.00 1.08 H new ATOM 0 HG2 MET A 37 -0.087 -9.353 7.614 1.00 1.38 H new ATOM 0 HG3 MET A 37 0.363 -8.350 6.250 1.00 1.38 H new ATOM 0 HE1 MET A 37 -1.628 -9.902 3.285 1.00 1.97 H new ATOM 0 HE2 MET A 37 -0.326 -8.806 3.803 1.00 1.97 H new ATOM 0 HE3 MET A 37 -0.043 -10.562 3.752 1.00 1.97 H new ATOM 607 N GLY A 38 1.518 -13.574 5.814 1.00 1.22 N ATOM 608 CA GLY A 38 1.002 -14.692 5.048 1.00 1.49 C ATOM 609 C GLY A 38 1.084 -14.448 3.560 1.00 1.30 C ATOM 610 O GLY A 38 1.030 -13.302 3.111 1.00 1.95 O ATOM 0 H GLY A 38 2.534 -13.549 5.903 1.00 1.22 H new ATOM 0 HA2 GLY A 38 1.563 -15.592 5.299 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -0.035 -14.875 5.328 1.00 1.49 H new ATOM 614 N MET A 39 1.226 -15.522 2.791 1.00 1.05 N ATOM 615 CA MET A 39 1.282 -15.411 1.340 1.00 0.97 C ATOM 616 C MET A 39 -0.130 -15.232 0.798 1.00 0.81 C ATOM 617 O MET A 39 -0.482 -15.758 -0.258 1.00 0.93 O ATOM 618 CB MET A 39 1.936 -16.651 0.723 1.00 1.47 C ATOM 619 CG MET A 39 1.235 -17.952 1.077 1.00 1.62 C ATOM 620 SD MET A 39 1.779 -18.633 2.655 1.00 2.14 S ATOM 621 CE MET A 39 3.493 -19.005 2.291 1.00 2.33 C ATOM 0 H MET A 39 1.304 -16.475 3.147 1.00 1.05 H new ATOM 0 HA MET A 39 1.889 -14.546 1.072 1.00 0.97 H new ATOM 0 HB2 MET A 39 1.952 -16.541 -0.361 1.00 1.47 H new ATOM 0 HB3 MET A 39 2.973 -16.706 1.053 1.00 1.47 H new ATOM 0 HG2 MET A 39 0.159 -17.782 1.112 1.00 1.62 H new ATOM 0 HG3 MET A 39 1.417 -18.683 0.289 1.00 1.62 H new ATOM 0 HE1 MET A 39 3.715 -20.029 2.592 1.00 2.33 H new ATOM 0 HE2 MET A 39 3.670 -18.895 1.221 1.00 2.33 H new ATOM 0 HE3 MET A 39 4.139 -18.318 2.838 1.00 2.33 H new ATOM 631 N THR A 40 -0.930 -14.474 1.542 1.00 0.66 N ATOM 632 CA THR A 40 -2.312 -14.219 1.184 1.00 0.60 C ATOM 633 C THR A 40 -2.479 -12.843 0.556 1.00 0.51 C ATOM 634 O THR A 40 -1.529 -12.071 0.467 1.00 0.46 O ATOM 635 CB THR A 40 -3.216 -14.313 2.425 1.00 0.70 C ATOM 636 OG1 THR A 40 -2.562 -15.069 3.450 1.00 1.26 O ATOM 637 CG2 THR A 40 -4.538 -14.968 2.083 1.00 0.85 C ATOM 0 H THR A 40 -0.635 -14.022 2.407 1.00 0.66 H new ATOM 0 HA THR A 40 -2.602 -14.977 0.456 1.00 0.60 H new ATOM 0 HB THR A 40 -3.409 -13.301 2.781 1.00 0.70 H new ATOM 0 HG1 THR A 40 -3.143 -15.123 4.238 1.00 1.26 H new ATOM 0 HG21 THR A 40 -5.159 -15.023 2.977 1.00 0.85 H new ATOM 0 HG22 THR A 40 -5.049 -14.379 1.321 1.00 0.85 H new ATOM 0 HG23 THR A 40 -4.358 -15.974 1.704 1.00 0.85 H new ATOM 645 N ASN A 41 -3.704 -12.531 0.146 1.00 0.52 N ATOM 646 CA ASN A 41 -3.984 -11.252 -0.492 1.00 0.46 C ATOM 647 C ASN A 41 -4.491 -10.224 0.512 1.00 0.49 C ATOM 648 O ASN A 41 -5.392 -10.496 1.305 1.00 0.58 O ATOM 649 CB ASN A 41 -5.024 -11.431 -1.599 1.00 0.49 C ATOM 650 CG ASN A 41 -5.797 -12.729 -1.464 1.00 1.34 C ATOM 651 OD1 ASN A 41 -6.837 -12.781 -0.807 1.00 2.35 O ATOM 652 ND2 ASN A 41 -5.290 -13.786 -2.088 1.00 1.61 N ATOM 0 H ASN A 41 -4.514 -13.143 0.244 1.00 0.52 H new ATOM 0 HA ASN A 41 -3.049 -10.887 -0.917 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -5.721 -10.593 -1.578 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.526 -11.407 -2.568 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -5.765 -14.687 -2.034 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -4.425 -13.697 -2.622 1.00 1.61 H new ATOM 659 N LEU A 42 -3.894 -9.041 0.463 1.00 0.44 N ATOM 660 CA LEU A 42 -4.276 -7.942 1.339 1.00 0.52 C ATOM 661 C LEU A 42 -4.435 -6.649 0.530 1.00 0.49 C ATOM 662 O LEU A 42 -5.490 -6.017 0.576 1.00 0.60 O ATOM 663 CB LEU A 42 -3.260 -7.783 2.479 1.00 0.57 C ATOM 664 CG LEU A 42 -3.482 -6.580 3.399 1.00 1.60 C ATOM 665 CD1 LEU A 42 -3.013 -6.901 4.808 1.00 2.08 C ATOM 666 CD2 LEU A 42 -2.746 -5.360 2.866 1.00 2.15 C ATOM 0 H LEU A 42 -3.136 -8.817 -0.181 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.241 -8.168 1.793 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -3.276 -8.689 3.085 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.263 -7.707 2.045 1.00 0.57 H new ATOM 0 HG LEU A 42 -4.549 -6.358 3.426 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -3.177 -6.037 5.452 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -3.575 -7.752 5.193 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -1.951 -7.145 4.791 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -2.915 -4.514 3.532 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -1.678 -5.573 2.813 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -3.117 -5.118 1.870 1.00 2.15 H new ATOM 678 N PRO A 43 -3.391 -6.235 -0.222 1.00 0.38 N ATOM 679 CA PRO A 43 -3.447 -5.028 -1.057 1.00 0.40 C ATOM 680 C PRO A 43 -4.259 -5.239 -2.333 1.00 0.37 C ATOM 681 O PRO A 43 -3.976 -4.626 -3.363 1.00 0.35 O ATOM 682 CB PRO A 43 -1.985 -4.776 -1.423 1.00 0.40 C ATOM 683 CG PRO A 43 -1.328 -6.110 -1.331 1.00 0.32 C ATOM 684 CD PRO A 43 -2.069 -6.890 -0.291 1.00 0.34 C ATOM 0 HA PRO A 43 -3.928 -4.203 -0.531 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -1.896 -4.361 -2.427 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.525 -4.062 -0.740 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -1.359 -6.622 -2.293 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.278 -6.005 -1.059 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -2.159 -7.940 -0.569 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.558 -6.858 0.671 1.00 0.34 H new ATOM 692 N ALA A 44 -5.283 -6.081 -2.258 1.00 0.42 N ATOM 693 CA ALA A 44 -6.110 -6.372 -3.422 1.00 0.42 C ATOM 694 C ALA A 44 -7.491 -5.733 -3.297 1.00 0.47 C ATOM 695 O ALA A 44 -8.066 -5.675 -2.210 1.00 0.59 O ATOM 696 CB ALA A 44 -6.239 -7.878 -3.602 1.00 0.52 C ATOM 0 H ALA A 44 -5.559 -6.572 -1.408 1.00 0.42 H new ATOM 0 HA ALA A 44 -5.625 -5.945 -4.299 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -6.858 -8.088 -4.474 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.250 -8.313 -3.746 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -6.701 -8.312 -2.715 1.00 0.52 H new ATOM 702 N VAL A 45 -8.016 -5.263 -4.424 1.00 0.42 N ATOM 703 CA VAL A 45 -9.323 -4.619 -4.457 1.00 0.47 C ATOM 704 C VAL A 45 -10.348 -5.499 -5.167 1.00 0.53 C ATOM 705 O VAL A 45 -9.988 -6.316 -6.013 1.00 0.55 O ATOM 706 CB VAL A 45 -9.251 -3.239 -5.147 1.00 0.41 C ATOM 707 CG1 VAL A 45 -8.087 -2.428 -4.591 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.132 -3.388 -6.658 1.00 0.34 C ATOM 0 H VAL A 45 -7.553 -5.317 -5.331 1.00 0.42 H new ATOM 0 HA VAL A 45 -9.639 -4.474 -3.424 1.00 0.47 H new ATOM 0 HB VAL A 45 -10.177 -2.704 -4.937 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -8.049 -1.458 -5.087 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -8.224 -2.282 -3.519 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -7.154 -2.963 -4.768 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -9.083 -2.401 -7.118 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.227 -3.946 -6.898 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -10.001 -3.924 -7.040 1.00 0.34 H new ATOM 718 N GLY A 46 -11.619 -5.327 -4.800 1.00 0.64 N ATOM 719 CA GLY A 46 -12.708 -6.107 -5.381 1.00 0.75 C ATOM 720 C GLY A 46 -12.419 -6.642 -6.775 1.00 0.74 C ATOM 721 O GLY A 46 -12.313 -7.853 -6.968 1.00 0.92 O ATOM 0 H GLY A 46 -11.919 -4.650 -4.099 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -12.931 -6.946 -4.721 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.603 -5.486 -5.421 1.00 0.75 H new ATOM 725 N ARG A 47 -12.294 -5.745 -7.748 1.00 0.63 N ATOM 726 CA ARG A 47 -12.029 -6.148 -9.127 1.00 0.64 C ATOM 727 C ARG A 47 -10.620 -6.724 -9.291 1.00 0.67 C ATOM 728 O ARG A 47 -10.348 -7.845 -8.860 1.00 1.20 O ATOM 729 CB ARG A 47 -12.240 -4.972 -10.076 1.00 0.63 C ATOM 730 CG ARG A 47 -13.541 -5.056 -10.848 1.00 0.39 C ATOM 731 CD ARG A 47 -13.323 -4.719 -12.310 1.00 1.19 C ATOM 732 NE ARG A 47 -13.752 -5.800 -13.194 1.00 1.66 N ATOM 733 CZ ARG A 47 -14.595 -5.636 -14.208 1.00 2.40 C ATOM 734 NH1 ARG A 47 -15.116 -4.441 -14.457 1.00 3.06 N ATOM 735 NH2 ARG A 47 -14.922 -6.668 -14.974 1.00 2.81 N ATOM 0 H ARG A 47 -12.371 -4.737 -7.609 1.00 0.63 H new ATOM 0 HA ARG A 47 -12.736 -6.938 -9.380 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -12.223 -4.044 -9.504 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.409 -4.928 -10.780 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -13.957 -6.060 -10.760 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -14.270 -4.370 -10.417 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -13.871 -3.810 -12.557 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -12.267 -4.510 -12.480 1.00 1.19 H new ATOM 0 HE ARG A 47 -13.383 -6.735 -13.023 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -14.870 -3.645 -13.869 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -15.763 -4.319 -15.236 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -14.526 -7.589 -14.785 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -15.569 -6.541 -15.752 1.00 2.81 H new ATOM 749 N LYS A 48 -9.727 -5.956 -9.913 1.00 0.69 N ATOM 750 CA LYS A 48 -8.358 -6.402 -10.138 1.00 0.62 C ATOM 751 C LYS A 48 -7.594 -6.512 -8.821 1.00 0.51 C ATOM 752 O LYS A 48 -7.999 -5.929 -7.817 1.00 0.48 O ATOM 753 CB LYS A 48 -7.637 -5.442 -11.090 1.00 0.67 C ATOM 754 CG LYS A 48 -8.007 -5.635 -12.553 1.00 0.84 C ATOM 755 CD LYS A 48 -9.434 -5.192 -12.838 1.00 1.04 C ATOM 756 CE LYS A 48 -9.824 -5.474 -14.280 1.00 1.00 C ATOM 757 NZ LYS A 48 -8.927 -4.779 -15.244 1.00 1.56 N ATOM 0 H LYS A 48 -9.930 -5.022 -10.269 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.394 -7.392 -10.593 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -7.866 -4.417 -10.799 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.561 -5.573 -10.977 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -7.318 -5.068 -13.180 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -7.892 -6.685 -12.822 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -10.119 -5.710 -12.166 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -9.533 -4.126 -12.634 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -9.790 -6.548 -14.462 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -10.853 -5.155 -14.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -9.331 -4.841 -16.200 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -8.833 -3.780 -14.972 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -7.990 -5.230 -15.234 1.00 1.56 H new ATOM 771 N PRO A 49 -6.486 -7.278 -8.804 1.00 0.49 N ATOM 772 CA PRO A 49 -5.664 -7.468 -7.599 1.00 0.44 C ATOM 773 C PRO A 49 -5.201 -6.148 -6.970 1.00 0.43 C ATOM 774 O PRO A 49 -6.008 -5.411 -6.407 1.00 0.63 O ATOM 775 CB PRO A 49 -4.476 -8.290 -8.108 1.00 0.52 C ATOM 776 CG PRO A 49 -5.012 -9.008 -9.292 1.00 0.59 C ATOM 777 CD PRO A 49 -5.956 -8.045 -9.947 1.00 0.58 C ATOM 0 HA PRO A 49 -6.223 -7.956 -6.800 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -3.635 -7.651 -8.377 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -4.118 -8.985 -7.349 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -4.211 -9.297 -9.972 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -5.526 -9.923 -8.997 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -5.445 -7.402 -10.664 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -6.748 -8.561 -10.490 1.00 0.58 H new ATOM 785 N LEU A 50 -3.906 -5.844 -7.061 1.00 0.51 N ATOM 786 CA LEU A 50 -3.377 -4.614 -6.475 1.00 0.55 C ATOM 787 C LEU A 50 -3.371 -3.468 -7.482 1.00 0.67 C ATOM 788 O LEU A 50 -3.859 -2.376 -7.190 1.00 1.57 O ATOM 789 CB LEU A 50 -1.949 -4.811 -5.949 1.00 0.64 C ATOM 790 CG LEU A 50 -1.732 -5.937 -4.937 1.00 0.45 C ATOM 791 CD1 LEU A 50 -1.952 -7.303 -5.571 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.329 -5.840 -4.360 1.00 0.81 C ATOM 0 H LEU A 50 -3.211 -6.426 -7.530 1.00 0.51 H new ATOM 0 HA LEU A 50 -4.038 -4.361 -5.646 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.295 -4.992 -6.802 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -1.625 -3.877 -5.491 1.00 0.64 H new ATOM 0 HG LEU A 50 -2.462 -5.825 -4.135 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -1.790 -8.081 -4.825 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -2.973 -7.369 -5.948 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.251 -7.439 -6.395 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.176 -6.643 -3.639 1.00 0.81 H new ATOM 0 HD22 LEU A 50 0.402 -5.930 -5.164 1.00 0.81 H new ATOM 0 HD23 LEU A 50 -0.206 -4.878 -3.863 1.00 0.81 H new ATOM 804 N ASP A 51 -2.810 -3.720 -8.667 1.00 0.50 N ATOM 805 CA ASP A 51 -2.716 -2.693 -9.703 1.00 0.46 C ATOM 806 C ASP A 51 -1.884 -1.526 -9.182 1.00 0.42 C ATOM 807 O ASP A 51 -2.212 -0.360 -9.399 1.00 0.41 O ATOM 808 CB ASP A 51 -4.110 -2.208 -10.109 1.00 0.45 C ATOM 809 CG ASP A 51 -5.049 -3.354 -10.428 1.00 0.49 C ATOM 810 OD1 ASP A 51 -5.671 -3.890 -9.488 1.00 0.63 O ATOM 811 OD2 ASP A 51 -5.160 -3.713 -11.618 1.00 0.53 O ATOM 0 H ASP A 51 -2.416 -4.623 -8.931 1.00 0.50 H new ATOM 0 HA ASP A 51 -2.235 -3.119 -10.583 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.533 -1.609 -9.302 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -4.026 -1.557 -10.979 1.00 0.45 H new ATOM 816 N LEU A 52 -0.795 -1.868 -8.502 1.00 0.40 N ATOM 817 CA LEU A 52 0.096 -0.883 -7.898 1.00 0.37 C ATOM 818 C LEU A 52 0.723 0.067 -8.913 1.00 0.36 C ATOM 819 O LEU A 52 0.752 1.273 -8.687 1.00 0.43 O ATOM 820 CB LEU A 52 1.199 -1.603 -7.107 1.00 0.39 C ATOM 821 CG LEU A 52 2.398 -0.756 -6.699 1.00 0.45 C ATOM 822 CD1 LEU A 52 3.125 -1.432 -5.559 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.346 -0.532 -7.865 1.00 1.29 C ATOM 0 H LEU A 52 -0.505 -2.835 -8.354 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.514 -0.270 -7.234 1.00 0.37 H new ATOM 0 HB2 LEU A 52 0.754 -2.024 -6.205 1.00 0.39 H new ATOM 0 HB3 LEU A 52 1.559 -2.440 -7.705 1.00 0.39 H new ATOM 0 HG LEU A 52 2.035 0.221 -6.378 1.00 0.45 H new ATOM 0 HD11 LEU A 52 3.983 -0.828 -5.266 1.00 1.06 H new ATOM 0 HD12 LEU A 52 2.450 -1.540 -4.710 1.00 1.06 H new ATOM 0 HD13 LEU A 52 3.467 -2.417 -5.878 1.00 1.06 H new ATOM 0 HD21 LEU A 52 4.189 0.076 -7.537 1.00 1.29 H new ATOM 0 HD22 LEU A 52 3.711 -1.493 -8.227 1.00 1.29 H new ATOM 0 HD23 LEU A 52 2.819 -0.018 -8.669 1.00 1.29 H new ATOM 835 N TYR A 53 1.251 -0.459 -10.013 1.00 0.32 N ATOM 836 CA TYR A 53 1.910 0.402 -10.989 1.00 0.33 C ATOM 837 C TYR A 53 0.942 1.430 -11.568 1.00 0.32 C ATOM 838 O TYR A 53 1.270 2.617 -11.660 1.00 0.32 O ATOM 839 CB TYR A 53 2.547 -0.426 -12.111 1.00 0.38 C ATOM 840 CG TYR A 53 2.580 0.280 -13.452 1.00 0.32 C ATOM 841 CD1 TYR A 53 3.397 1.386 -13.654 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.802 -0.163 -14.516 1.00 0.32 C ATOM 843 CE1 TYR A 53 3.435 2.031 -14.877 1.00 0.51 C ATOM 844 CE2 TYR A 53 1.837 0.476 -15.740 1.00 0.36 C ATOM 845 CZ TYR A 53 2.628 1.578 -15.912 1.00 0.43 C ATOM 846 OH TYR A 53 2.691 2.211 -17.133 1.00 0.54 O ATOM 0 H TYR A 53 1.238 -1.451 -10.248 1.00 0.32 H new ATOM 0 HA TYR A 53 2.701 0.941 -10.467 1.00 0.33 H new ATOM 0 HB2 TYR A 53 3.566 -0.687 -11.823 1.00 0.38 H new ATOM 0 HB3 TYR A 53 1.996 -1.361 -12.217 1.00 0.38 H new ATOM 0 HD1 TYR A 53 4.012 1.748 -12.843 1.00 0.45 H new ATOM 0 HD2 TYR A 53 1.160 -1.021 -14.383 1.00 0.32 H new ATOM 0 HE1 TYR A 53 4.087 2.879 -15.026 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.240 0.106 -16.560 1.00 0.36 H new ATOM 0 HH TYR A 53 2.070 1.781 -17.757 1.00 0.54 H new ATOM 856 N ARG A 54 -0.248 0.983 -11.953 1.00 0.33 N ATOM 857 CA ARG A 54 -1.244 1.900 -12.487 1.00 0.34 C ATOM 858 C ARG A 54 -1.614 2.866 -11.385 1.00 0.32 C ATOM 859 O ARG A 54 -1.946 4.024 -11.623 1.00 0.32 O ATOM 860 CB ARG A 54 -2.490 1.154 -12.969 1.00 0.38 C ATOM 861 CG ARG A 54 -2.238 -0.300 -13.316 1.00 0.40 C ATOM 862 CD ARG A 54 -3.445 -0.924 -13.995 1.00 0.45 C ATOM 863 NE ARG A 54 -3.782 -0.242 -15.241 1.00 0.98 N ATOM 864 CZ ARG A 54 -4.936 -0.400 -15.882 1.00 1.19 C ATOM 865 NH1 ARG A 54 -5.863 -1.216 -15.397 1.00 1.28 N ATOM 866 NH2 ARG A 54 -5.163 0.257 -17.011 1.00 1.85 N ATOM 0 H ARG A 54 -0.542 0.007 -11.906 1.00 0.33 H new ATOM 0 HA ARG A 54 -0.831 2.427 -13.347 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -3.255 1.205 -12.194 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -2.890 1.663 -13.846 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -1.371 -0.374 -13.972 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -2.000 -0.856 -12.409 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -3.243 -1.975 -14.200 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -4.300 -0.889 -13.320 1.00 0.45 H new ATOM 0 HE ARG A 54 -3.092 0.393 -15.643 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -5.691 -1.725 -14.530 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -6.747 -1.335 -15.892 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -4.452 0.884 -17.388 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -6.048 0.136 -17.503 1.00 1.85 H new ATOM 880 N LEU A 55 -1.534 2.353 -10.167 1.00 0.30 N ATOM 881 CA LEU A 55 -1.826 3.117 -8.973 1.00 0.28 C ATOM 882 C LEU A 55 -0.738 4.163 -8.746 1.00 0.26 C ATOM 883 O LEU A 55 -0.997 5.248 -8.228 1.00 0.25 O ATOM 884 CB LEU A 55 -1.924 2.164 -7.775 1.00 0.32 C ATOM 885 CG LEU A 55 -2.441 2.768 -6.463 1.00 0.31 C ATOM 886 CD1 LEU A 55 -3.425 3.903 -6.717 1.00 0.88 C ATOM 887 CD2 LEU A 55 -3.100 1.685 -5.620 1.00 0.79 C ATOM 0 H LEU A 55 -1.262 1.387 -9.982 1.00 0.30 H new ATOM 0 HA LEU A 55 -2.777 3.636 -9.090 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -2.577 1.335 -8.050 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -0.935 1.744 -7.591 1.00 0.32 H new ATOM 0 HG LEU A 55 -1.588 3.182 -5.925 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -3.770 4.306 -5.765 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -2.933 4.691 -7.287 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -4.278 3.526 -7.281 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -3.465 2.120 -4.690 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -3.935 1.253 -6.171 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -2.372 0.906 -5.395 1.00 0.79 H new ATOM 899 N TYR A 56 0.486 3.812 -9.137 1.00 0.30 N ATOM 900 CA TYR A 56 1.643 4.691 -8.991 1.00 0.30 C ATOM 901 C TYR A 56 1.534 5.879 -9.942 1.00 0.30 C ATOM 902 O TYR A 56 1.660 7.034 -9.532 1.00 0.29 O ATOM 903 CB TYR A 56 2.920 3.889 -9.289 1.00 0.35 C ATOM 904 CG TYR A 56 4.217 4.471 -8.747 1.00 0.36 C ATOM 905 CD1 TYR A 56 4.236 5.768 -8.250 1.00 0.95 C ATOM 906 CD2 TYR A 56 5.402 3.743 -8.726 1.00 0.68 C ATOM 907 CE1 TYR A 56 5.394 6.326 -7.751 1.00 1.03 C ATOM 908 CE2 TYR A 56 6.567 4.297 -8.226 1.00 0.85 C ATOM 909 CZ TYR A 56 6.618 5.481 -7.774 1.00 0.74 C ATOM 910 OH TYR A 56 7.713 6.145 -7.247 1.00 0.97 O ATOM 0 H TYR A 56 0.703 2.911 -9.563 1.00 0.30 H new ATOM 0 HA TYR A 56 1.680 5.075 -7.971 1.00 0.30 H new ATOM 0 HB2 TYR A 56 2.798 2.885 -8.882 1.00 0.35 H new ATOM 0 HB3 TYR A 56 3.016 3.785 -10.370 1.00 0.35 H new ATOM 0 HD1 TYR A 56 3.327 6.350 -8.255 1.00 0.95 H new ATOM 0 HD2 TYR A 56 5.413 2.732 -9.105 1.00 0.68 H new ATOM 0 HE1 TYR A 56 5.412 7.333 -7.360 1.00 1.03 H new ATOM 0 HE2 TYR A 56 7.466 3.699 -8.220 1.00 0.85 H new ATOM 0 HH TYR A 56 8.497 5.558 -7.278 1.00 0.97 H new ATOM 920 N VAL A 57 1.287 5.591 -11.213 1.00 0.33 N ATOM 921 CA VAL A 57 1.148 6.645 -12.208 1.00 0.35 C ATOM 922 C VAL A 57 -0.124 7.432 -11.960 1.00 0.31 C ATOM 923 O VAL A 57 -0.183 8.638 -12.214 1.00 0.32 O ATOM 924 CB VAL A 57 1.118 6.081 -13.640 1.00 0.40 C ATOM 925 CG1 VAL A 57 2.440 5.417 -13.969 1.00 0.44 C ATOM 926 CG2 VAL A 57 -0.033 5.101 -13.810 1.00 0.38 C ATOM 0 H VAL A 57 1.180 4.644 -11.577 1.00 0.33 H new ATOM 0 HA VAL A 57 2.017 7.296 -12.113 1.00 0.35 H new ATOM 0 HB VAL A 57 0.962 6.907 -14.334 1.00 0.40 H new ATOM 0 HG11 VAL A 57 2.406 5.022 -14.984 1.00 0.44 H new ATOM 0 HG12 VAL A 57 3.244 6.149 -13.891 1.00 0.44 H new ATOM 0 HG13 VAL A 57 2.622 4.602 -13.269 1.00 0.44 H new ATOM 0 HG21 VAL A 57 -0.035 4.715 -14.829 1.00 0.38 H new ATOM 0 HG22 VAL A 57 0.086 4.275 -13.109 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -0.976 5.610 -13.613 1.00 0.38 H new ATOM 936 N SER A 58 -1.144 6.746 -11.454 1.00 0.29 N ATOM 937 CA SER A 58 -2.408 7.394 -11.175 1.00 0.27 C ATOM 938 C SER A 58 -2.287 8.301 -9.961 1.00 0.24 C ATOM 939 O SER A 58 -2.841 9.394 -9.949 1.00 0.25 O ATOM 940 CB SER A 58 -3.522 6.366 -10.956 1.00 0.27 C ATOM 941 OG SER A 58 -3.853 5.705 -12.165 1.00 1.13 O ATOM 0 H SER A 58 -1.115 5.751 -11.233 1.00 0.29 H new ATOM 0 HA SER A 58 -2.669 7.999 -12.043 1.00 0.27 H new ATOM 0 HB2 SER A 58 -3.204 5.634 -10.213 1.00 0.27 H new ATOM 0 HB3 SER A 58 -4.406 6.863 -10.556 1.00 0.27 H new ATOM 0 HG SER A 58 -3.399 4.837 -12.198 1.00 1.13 H new ATOM 947 N VAL A 59 -1.559 7.858 -8.934 1.00 0.24 N ATOM 948 CA VAL A 59 -1.390 8.685 -7.749 1.00 0.23 C ATOM 949 C VAL A 59 -0.512 9.878 -8.087 1.00 0.23 C ATOM 950 O VAL A 59 -0.692 10.971 -7.549 1.00 0.22 O ATOM 951 CB VAL A 59 -0.793 7.913 -6.554 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.630 7.462 -6.841 1.00 0.27 C ATOM 953 CG2 VAL A 59 -0.848 8.774 -5.301 1.00 0.26 C ATOM 0 H VAL A 59 -1.089 6.953 -8.902 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.382 9.016 -7.442 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.391 7.016 -6.391 1.00 0.25 H new ATOM 0 HG11 VAL A 59 1.021 6.921 -5.979 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.636 6.808 -7.713 1.00 0.27 H new ATOM 0 HG13 VAL A 59 1.255 8.333 -7.037 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.425 8.222 -4.462 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.274 9.687 -5.461 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -1.884 9.031 -5.081 1.00 0.26 H new ATOM 963 N LYS A 60 0.441 9.657 -8.989 1.00 0.26 N ATOM 964 CA LYS A 60 1.324 10.723 -9.438 1.00 0.27 C ATOM 965 C LYS A 60 0.502 11.813 -10.115 1.00 0.26 C ATOM 966 O LYS A 60 0.600 12.991 -9.771 1.00 0.26 O ATOM 967 CB LYS A 60 2.364 10.175 -10.420 1.00 0.31 C ATOM 968 CG LYS A 60 3.575 9.545 -9.756 1.00 0.99 C ATOM 969 CD LYS A 60 4.769 9.525 -10.699 1.00 0.98 C ATOM 970 CE LYS A 60 5.891 8.649 -10.166 1.00 1.26 C ATOM 971 NZ LYS A 60 7.102 8.715 -11.029 1.00 1.78 N ATOM 0 H LYS A 60 0.619 8.750 -9.421 1.00 0.26 H new ATOM 0 HA LYS A 60 1.843 11.140 -8.575 1.00 0.27 H new ATOM 0 HB2 LYS A 60 1.887 9.433 -11.060 1.00 0.31 H new ATOM 0 HB3 LYS A 60 2.699 10.986 -11.067 1.00 0.31 H new ATOM 0 HG2 LYS A 60 3.829 10.102 -8.854 1.00 0.99 H new ATOM 0 HG3 LYS A 60 3.335 8.528 -9.446 1.00 0.99 H new ATOM 0 HD2 LYS A 60 4.455 9.159 -11.677 1.00 0.98 H new ATOM 0 HD3 LYS A 60 5.137 10.541 -10.842 1.00 0.98 H new ATOM 0 HE2 LYS A 60 6.148 8.963 -9.154 1.00 1.26 H new ATOM 0 HE3 LYS A 60 5.547 7.617 -10.101 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 7.845 8.104 -10.632 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 6.863 8.391 -11.988 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 7.446 9.696 -11.070 1.00 1.78 H new ATOM 985 N GLU A 61 -0.311 11.400 -11.086 1.00 0.26 N ATOM 986 CA GLU A 61 -1.171 12.320 -11.820 1.00 0.26 C ATOM 987 C GLU A 61 -2.255 12.892 -10.909 1.00 0.24 C ATOM 988 O GLU A 61 -2.705 14.025 -11.092 1.00 0.24 O ATOM 989 CB GLU A 61 -1.806 11.606 -13.015 1.00 0.27 C ATOM 990 CG GLU A 61 -2.965 10.714 -12.632 1.00 1.22 C ATOM 991 CD GLU A 61 -3.654 10.098 -13.834 1.00 1.54 C ATOM 992 OE1 GLU A 61 -3.244 8.996 -14.253 1.00 1.88 O ATOM 993 OE2 GLU A 61 -4.605 10.717 -14.355 1.00 1.78 O ATOM 0 H GLU A 61 -0.390 10.427 -11.382 1.00 0.26 H new ATOM 0 HA GLU A 61 -0.560 13.146 -12.184 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -2.151 12.350 -13.733 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -1.046 11.007 -13.517 1.00 0.27 H new ATOM 0 HG2 GLU A 61 -2.605 9.919 -11.978 1.00 1.22 H new ATOM 0 HG3 GLU A 61 -3.690 11.293 -12.061 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.669 12.092 -9.932 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.708 12.486 -8.988 1.00 0.23 C ATOM 1002 C ILE A 62 -3.391 13.814 -8.301 1.00 0.25 C ATOM 1003 O ILE A 62 -4.279 14.645 -8.110 1.00 0.27 O ATOM 1004 CB ILE A 62 -3.931 11.380 -7.932 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -5.074 10.463 -8.390 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -4.208 11.972 -6.552 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -5.476 9.425 -7.371 1.00 0.33 C ATOM 0 H ILE A 62 -2.296 11.156 -9.773 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.625 12.624 -9.562 1.00 0.23 H new ATOM 0 HB ILE A 62 -3.019 10.790 -7.841 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -5.943 11.076 -8.631 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -4.775 9.958 -9.309 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -4.360 11.166 -5.834 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -3.359 12.580 -6.240 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -5.103 12.593 -6.595 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -6.288 8.818 -7.771 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.622 8.786 -7.147 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.808 9.920 -6.459 1.00 0.33 H new ATOM 1019 N GLY A 63 -2.129 14.016 -7.936 1.00 0.30 N ATOM 1020 CA GLY A 63 -1.750 15.253 -7.277 1.00 0.37 C ATOM 1021 C GLY A 63 -0.783 15.040 -6.129 1.00 0.46 C ATOM 1022 O GLY A 63 -0.322 16.001 -5.513 1.00 0.74 O ATOM 0 H GLY A 63 -1.368 13.353 -8.083 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -1.297 15.923 -8.007 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -2.646 15.748 -6.903 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.477 13.780 -5.842 1.00 0.29 N ATOM 1027 CA GLY A 64 0.435 13.464 -4.758 1.00 0.35 C ATOM 1028 C GLY A 64 -0.255 12.707 -3.640 1.00 0.38 C ATOM 1029 O GLY A 64 -1.480 12.651 -3.595 1.00 0.50 O ATOM 0 H GLY A 64 -0.845 12.970 -6.341 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.263 12.868 -5.142 1.00 0.35 H new ATOM 0 HA3 GLY A 64 0.862 14.386 -4.363 1.00 0.35 H new ATOM 1033 N LEU A 65 0.531 12.146 -2.723 1.00 0.32 N ATOM 1034 CA LEU A 65 -0.017 11.363 -1.613 1.00 0.35 C ATOM 1035 C LEU A 65 -0.983 12.187 -0.766 1.00 0.32 C ATOM 1036 O LEU A 65 -2.113 11.767 -0.519 1.00 0.35 O ATOM 1037 CB LEU A 65 1.090 10.800 -0.699 1.00 0.43 C ATOM 1038 CG LEU A 65 2.538 10.858 -1.217 1.00 0.94 C ATOM 1039 CD1 LEU A 65 2.666 10.227 -2.597 1.00 1.62 C ATOM 1040 CD2 LEU A 65 3.058 12.291 -1.213 1.00 0.86 C ATOM 0 H LEU A 65 1.548 12.218 -2.725 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.555 10.532 -2.070 1.00 0.35 H new ATOM 0 HB2 LEU A 65 1.050 11.338 0.248 1.00 0.43 H new ATOM 0 HB3 LEU A 65 0.851 9.758 -0.484 1.00 0.43 H new ATOM 0 HG LEU A 65 3.157 10.273 -0.537 1.00 0.94 H new ATOM 0 HD11 LEU A 65 3.702 10.287 -2.930 1.00 1.62 H new ATOM 0 HD12 LEU A 65 2.360 9.182 -2.549 1.00 1.62 H new ATOM 0 HD13 LEU A 65 2.028 10.760 -3.301 1.00 1.62 H new ATOM 0 HD21 LEU A 65 4.083 12.307 -1.583 1.00 0.86 H new ATOM 0 HD22 LEU A 65 2.430 12.908 -1.856 1.00 0.86 H new ATOM 0 HD23 LEU A 65 3.033 12.684 -0.197 1.00 0.86 H new ATOM 1052 N THR A 66 -0.536 13.355 -0.320 1.00 0.35 N ATOM 1053 CA THR A 66 -1.372 14.222 0.504 1.00 0.36 C ATOM 1054 C THR A 66 -2.618 14.663 -0.250 1.00 0.30 C ATOM 1055 O THR A 66 -3.663 14.916 0.349 1.00 0.28 O ATOM 1056 CB THR A 66 -0.604 15.468 0.977 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.628 15.590 0.256 1.00 0.76 O ATOM 1058 CG2 THR A 66 -0.323 15.396 2.469 1.00 0.65 C ATOM 0 H THR A 66 0.396 13.723 -0.513 1.00 0.35 H new ATOM 0 HA THR A 66 -1.665 13.637 1.375 1.00 0.36 H new ATOM 0 HB THR A 66 -1.223 16.344 0.783 1.00 0.47 H new ATOM 0 HG1 THR A 66 1.305 15.010 0.664 1.00 0.76 H new ATOM 0 HG21 THR A 66 0.221 16.288 2.780 1.00 0.65 H new ATOM 0 HG22 THR A 66 -1.265 15.337 3.014 1.00 0.65 H new ATOM 0 HG23 THR A 66 0.277 14.512 2.684 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.498 14.753 -1.568 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.609 15.166 -2.413 1.00 0.29 C ATOM 1068 C GLN A 67 -4.708 14.106 -2.417 1.00 0.23 C ATOM 1069 O GLN A 67 -5.892 14.429 -2.350 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.103 15.430 -3.835 1.00 0.35 C ATOM 1071 CG GLN A 67 -4.041 16.263 -4.690 1.00 0.93 C ATOM 1072 CD GLN A 67 -4.541 17.510 -3.985 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -3.858 18.069 -3.126 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -5.735 17.958 -4.351 1.00 1.77 N ATOM 0 H GLN A 67 -1.638 14.544 -2.076 1.00 0.30 H new ATOM 0 HA GLN A 67 -4.036 16.086 -2.013 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -2.139 15.935 -3.777 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -2.932 14.474 -4.330 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -3.527 16.553 -5.606 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -4.895 15.652 -4.983 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -6.268 17.464 -5.067 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -6.120 18.796 -3.916 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.307 12.841 -2.483 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.261 11.732 -2.484 1.00 0.26 C ATOM 1085 C VAL A 68 -6.051 11.694 -1.182 1.00 0.28 C ATOM 1086 O VAL A 68 -7.211 11.289 -1.156 1.00 0.39 O ATOM 1087 CB VAL A 68 -4.549 10.375 -2.637 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -5.477 9.354 -3.263 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -3.278 10.508 -3.455 1.00 0.52 C ATOM 0 H VAL A 68 -3.329 12.556 -2.537 1.00 0.22 H new ATOM 0 HA VAL A 68 -5.928 11.898 -3.330 1.00 0.26 H new ATOM 0 HB VAL A 68 -4.272 10.031 -1.641 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -4.956 8.402 -3.363 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -6.354 9.223 -2.629 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -5.789 9.702 -4.248 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -2.799 9.533 -3.545 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -3.522 10.885 -4.448 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -2.598 11.202 -2.961 1.00 0.52 H new ATOM 1099 N ASN A 69 -5.405 12.129 -0.109 1.00 0.24 N ATOM 1100 CA ASN A 69 -6.001 12.107 1.222 1.00 0.29 C ATOM 1101 C ASN A 69 -7.128 13.126 1.427 1.00 0.31 C ATOM 1102 O ASN A 69 -8.034 12.878 2.224 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.916 12.338 2.275 1.00 0.30 C ATOM 1104 CG ASN A 69 -5.456 12.256 3.691 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -5.882 13.258 4.265 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -5.440 11.057 4.263 1.00 1.17 N ATOM 0 H ASN A 69 -4.457 12.506 -0.135 1.00 0.24 H new ATOM 0 HA ASN A 69 -6.455 11.122 1.329 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -4.126 11.598 2.147 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.464 13.317 2.118 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -5.790 10.941 5.214 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -5.078 10.252 3.751 1.00 1.17 H new ATOM 1113 N LYS A 70 -7.094 14.263 0.729 1.00 0.28 N ATOM 1114 CA LYS A 70 -8.125 15.283 0.944 1.00 0.38 C ATOM 1115 C LYS A 70 -8.804 15.765 -0.340 1.00 0.33 C ATOM 1116 O LYS A 70 -9.668 16.641 -0.286 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.511 16.481 1.674 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.534 17.278 0.828 1.00 0.46 C ATOM 1119 CD LYS A 70 -5.974 18.460 1.599 1.00 0.74 C ATOM 1120 CE LYS A 70 -4.628 18.890 1.046 1.00 1.09 C ATOM 1121 NZ LYS A 70 -4.065 20.054 1.786 1.00 1.81 N ATOM 0 H LYS A 70 -6.388 14.498 0.031 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.903 14.810 1.543 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -8.312 17.141 2.007 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.998 16.126 2.568 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.718 16.632 0.505 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -7.035 17.633 -0.073 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -6.674 19.294 1.549 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -5.870 18.194 2.651 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -3.930 18.054 1.100 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -4.735 19.148 -0.008 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -3.146 20.315 1.376 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -4.718 20.860 1.713 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -3.938 19.801 2.787 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.434 15.211 -1.485 1.00 0.28 N ATOM 1136 CA ASN A 71 -9.034 15.642 -2.747 1.00 0.27 C ATOM 1137 C ASN A 71 -10.105 14.666 -3.248 1.00 0.28 C ATOM 1138 O ASN A 71 -10.492 14.714 -4.415 1.00 0.29 O ATOM 1139 CB ASN A 71 -7.948 15.836 -3.810 1.00 0.24 C ATOM 1140 CG ASN A 71 -8.448 16.601 -5.020 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -8.874 16.011 -6.011 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -8.402 17.927 -4.945 1.00 1.26 N ATOM 0 H ASN A 71 -7.734 14.474 -1.571 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.532 16.594 -2.561 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -7.105 16.369 -3.370 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.578 14.861 -4.128 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -8.728 18.494 -5.728 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -8.041 18.378 -4.104 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.590 13.785 -2.369 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.617 12.811 -2.756 1.00 0.33 C ATOM 1151 C LYS A 72 -11.147 11.988 -3.933 1.00 0.30 C ATOM 1152 O LYS A 72 -11.949 11.415 -4.672 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.929 13.519 -3.092 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.545 14.234 -1.901 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.920 14.798 -2.229 1.00 0.88 C ATOM 1156 CE LYS A 72 -14.840 15.904 -3.268 1.00 1.61 C ATOM 1157 NZ LYS A 72 -14.846 15.369 -4.658 1.00 2.04 N ATOM 0 H LYS A 72 -10.293 13.725 -1.395 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.792 12.143 -1.913 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.751 14.241 -3.889 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.640 12.788 -3.477 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.627 13.541 -1.064 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.887 15.043 -1.582 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -15.563 13.999 -2.597 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.381 15.185 -1.320 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -15.682 16.584 -3.138 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -13.932 16.486 -3.108 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -13.936 15.580 -5.115 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -14.990 14.339 -4.633 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -15.616 15.813 -5.198 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.836 11.926 -4.095 1.00 0.25 N ATOM 1172 CA LYS A 73 -9.248 11.160 -5.169 1.00 0.24 C ATOM 1173 C LYS A 73 -9.511 9.683 -4.956 1.00 0.23 C ATOM 1174 O LYS A 73 -9.593 8.929 -5.916 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.749 11.421 -5.253 1.00 0.31 C ATOM 1176 CG LYS A 73 -7.409 12.839 -5.672 1.00 0.35 C ATOM 1177 CD LYS A 73 -7.446 13.002 -7.182 1.00 0.36 C ATOM 1178 CE LYS A 73 -8.834 13.361 -7.677 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.834 13.728 -9.120 1.00 0.77 N ATOM 0 H LYS A 73 -9.162 12.399 -3.493 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.705 11.470 -6.109 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -7.297 11.218 -4.282 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -7.305 10.723 -5.963 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -8.114 13.533 -5.214 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -6.418 13.100 -5.302 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -6.742 13.778 -7.481 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -7.120 12.076 -7.655 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -9.505 12.517 -7.518 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -9.224 14.193 -7.091 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -9.635 14.362 -9.317 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -7.944 14.211 -9.355 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -8.924 12.867 -9.697 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.648 9.272 -3.692 1.00 0.22 N ATOM 1194 CA TRP A 74 -9.909 7.868 -3.386 1.00 0.24 C ATOM 1195 C TRP A 74 -10.998 7.331 -4.294 1.00 0.23 C ATOM 1196 O TRP A 74 -10.883 6.231 -4.838 1.00 0.22 O ATOM 1197 CB TRP A 74 -10.309 7.648 -1.923 1.00 0.26 C ATOM 1198 CG TRP A 74 -10.515 8.897 -1.122 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -9.553 9.649 -0.514 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -11.767 9.520 -0.813 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -10.129 10.706 0.148 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.488 10.648 -0.020 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -13.097 9.234 -1.133 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -12.491 11.488 0.457 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -14.091 10.068 -0.660 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -13.783 11.184 0.128 1.00 2.12 C ATOM 0 H TRP A 74 -9.583 9.883 -2.878 1.00 0.22 H new ATOM 0 HA TRP A 74 -8.977 7.328 -3.556 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -11.229 7.064 -1.899 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.538 7.048 -1.439 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -8.493 9.443 -0.548 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -9.627 11.418 0.678 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -13.343 8.375 -1.740 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -12.257 12.349 1.065 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -15.122 9.856 -0.902 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -14.582 11.818 0.483 1.00 2.12 H new ATOM 1217 N ARG A 75 -12.058 8.114 -4.465 1.00 0.25 N ATOM 1218 CA ARG A 75 -13.147 7.691 -5.332 1.00 0.26 C ATOM 1219 C ARG A 75 -12.671 7.636 -6.781 1.00 0.23 C ATOM 1220 O ARG A 75 -13.095 6.777 -7.557 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.345 8.629 -5.202 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.574 8.141 -5.948 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.845 8.744 -5.377 1.00 0.48 C ATOM 1224 NE ARG A 75 -16.863 10.199 -5.501 1.00 1.25 N ATOM 1225 CZ ARG A 75 -17.972 10.931 -5.446 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -19.149 10.347 -5.272 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -17.903 12.250 -5.568 1.00 2.57 N ATOM 0 H ARG A 75 -12.184 9.025 -4.025 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.463 6.694 -5.024 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.592 8.747 -4.147 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -14.068 9.614 -5.577 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -15.488 8.401 -7.003 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.628 7.054 -5.891 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -17.709 8.325 -5.893 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -16.937 8.468 -4.326 1.00 0.48 H new ATOM 0 HE ARG A 75 -15.975 10.681 -5.638 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -19.206 9.333 -5.180 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -19.997 10.912 -5.230 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -16.999 12.703 -5.704 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -18.754 12.811 -5.526 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.771 8.551 -7.133 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.228 8.609 -8.485 1.00 0.22 C ATOM 1243 C GLU A 76 -10.350 7.398 -8.788 1.00 0.20 C ATOM 1244 O GLU A 76 -10.503 6.784 -9.837 1.00 0.20 O ATOM 1245 CB GLU A 76 -10.436 9.900 -8.693 1.00 0.25 C ATOM 1246 CG GLU A 76 -11.308 11.145 -8.719 1.00 1.27 C ATOM 1247 CD GLU A 76 -12.325 11.121 -9.843 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -13.410 10.532 -9.650 1.00 2.05 O ATOM 1249 OE2 GLU A 76 -12.036 11.690 -10.917 1.00 2.09 O ATOM 0 H GLU A 76 -11.403 9.261 -6.500 1.00 0.23 H new ATOM 0 HA GLU A 76 -12.070 8.596 -9.177 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -9.699 9.998 -7.896 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -9.884 9.832 -9.631 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -11.828 11.240 -7.766 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.675 12.026 -8.826 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.433 7.049 -7.879 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.576 5.888 -8.099 1.00 0.19 C ATOM 1258 C LEU A 77 -9.422 4.628 -8.095 1.00 0.19 C ATOM 1259 O LEU A 77 -9.124 3.665 -8.801 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.452 5.779 -7.058 1.00 0.20 C ATOM 1261 CG LEU A 77 -7.797 6.242 -5.641 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.314 5.244 -4.605 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -7.169 7.588 -5.359 1.00 0.24 C ATOM 0 H LEU A 77 -9.270 7.545 -7.003 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.094 6.012 -9.069 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -7.129 4.739 -7.010 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.600 6.361 -7.411 1.00 0.20 H new ATOM 0 HG LEU A 77 -8.882 6.321 -5.577 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.573 5.600 -3.608 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -7.789 4.279 -4.781 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -6.232 5.135 -4.681 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.424 7.904 -4.347 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -6.086 7.511 -5.453 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -7.544 8.321 -6.073 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.479 4.642 -7.290 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.387 3.511 -7.225 1.00 0.21 C ATOM 1277 C ALA A 78 -12.031 3.303 -8.589 1.00 0.21 C ATOM 1278 O ALA A 78 -12.141 2.180 -9.078 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.447 3.749 -6.157 1.00 0.24 C ATOM 0 H ALA A 78 -10.724 5.421 -6.678 1.00 0.20 H new ATOM 0 HA ALA A 78 -10.832 2.612 -6.956 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -13.122 2.894 -6.118 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -11.965 3.876 -5.188 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -13.014 4.648 -6.401 1.00 0.24 H new ATOM 1285 N THR A 79 -12.445 4.410 -9.198 1.00 0.21 N ATOM 1286 CA THR A 79 -13.060 4.384 -10.519 1.00 0.23 C ATOM 1287 C THR A 79 -12.014 4.116 -11.604 1.00 0.24 C ATOM 1288 O THR A 79 -12.288 3.446 -12.600 1.00 0.28 O ATOM 1289 CB THR A 79 -13.756 5.726 -10.824 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.718 6.024 -9.806 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.439 5.691 -12.183 1.00 0.30 C ATOM 0 H THR A 79 -12.364 5.343 -8.793 1.00 0.21 H new ATOM 0 HA THR A 79 -13.797 3.581 -10.519 1.00 0.23 H new ATOM 0 HB THR A 79 -12.994 6.506 -10.842 1.00 0.25 H new ATOM 0 HG1 THR A 79 -14.254 6.293 -8.986 1.00 0.25 H new ATOM 0 HG21 THR A 79 -14.922 6.650 -12.372 1.00 0.30 H new ATOM 0 HG22 THR A 79 -13.697 5.499 -12.958 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.188 4.899 -12.193 1.00 0.30 H new ATOM 1299 N ASN A 80 -10.811 4.653 -11.392 1.00 0.22 N ATOM 1300 CA ASN A 80 -9.708 4.507 -12.340 1.00 0.25 C ATOM 1301 C ASN A 80 -9.336 3.042 -12.536 1.00 0.29 C ATOM 1302 O ASN A 80 -9.089 2.597 -13.657 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.486 5.296 -11.853 1.00 0.25 C ATOM 1304 CG ASN A 80 -8.699 6.798 -11.912 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -8.155 7.544 -11.098 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -9.489 7.251 -12.880 1.00 1.75 N ATOM 0 H ASN A 80 -10.576 5.198 -10.563 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.036 4.905 -13.300 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.256 5.006 -10.828 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -7.621 5.031 -12.461 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -9.664 8.252 -12.969 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -9.920 6.598 -13.534 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.297 2.300 -11.438 1.00 0.36 N ATOM 1314 CA LEU A 81 -8.955 0.885 -11.481 1.00 0.40 C ATOM 1315 C LEU A 81 -10.216 0.034 -11.566 1.00 0.42 C ATOM 1316 O LEU A 81 -10.174 -1.182 -11.380 1.00 0.45 O ATOM 1317 CB LEU A 81 -8.125 0.517 -10.249 1.00 0.41 C ATOM 1318 CG LEU A 81 -6.809 1.283 -10.119 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.150 0.986 -8.784 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -5.871 0.930 -11.265 1.00 0.50 C ATOM 0 H LEU A 81 -9.499 2.656 -10.504 1.00 0.36 H new ATOM 0 HA LEU A 81 -8.360 0.687 -12.372 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -8.724 0.696 -9.356 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -7.908 -0.551 -10.279 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.026 2.350 -10.167 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.214 1.540 -8.709 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -6.816 1.287 -7.975 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -5.946 -0.082 -8.708 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -4.939 1.485 -11.156 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -5.661 -0.139 -11.247 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -6.340 1.192 -12.213 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.332 0.695 -11.864 1.00 0.44 N ATOM 1333 CA ASN A 82 -12.622 0.026 -11.994 1.00 0.48 C ATOM 1334 C ASN A 82 -12.873 -0.925 -10.828 1.00 0.43 C ATOM 1335 O ASN A 82 -12.705 -2.135 -10.960 1.00 0.66 O ATOM 1336 CB ASN A 82 -12.689 -0.742 -13.318 1.00 0.57 C ATOM 1337 CG ASN A 82 -14.081 -1.265 -13.621 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -14.859 -1.565 -12.715 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -14.401 -1.381 -14.905 1.00 2.01 N ATOM 0 H ASN A 82 -11.367 1.702 -12.021 1.00 0.44 H new ATOM 0 HA ASN A 82 -13.398 0.791 -11.982 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -12.366 -0.089 -14.129 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -11.990 -1.578 -13.284 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -15.322 -1.730 -15.172 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -13.726 -1.121 -15.624 1.00 2.01 H new ATOM 1346 N VAL A 83 -13.259 -0.371 -9.684 1.00 0.35 N ATOM 1347 CA VAL A 83 -13.537 -1.184 -8.507 1.00 0.35 C ATOM 1348 C VAL A 83 -15.012 -1.105 -8.129 1.00 0.43 C ATOM 1349 O VAL A 83 -15.536 -1.991 -7.452 1.00 0.50 O ATOM 1350 CB VAL A 83 -12.686 -0.745 -7.302 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -11.222 -0.617 -7.696 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -13.212 0.559 -6.728 1.00 1.39 C ATOM 0 H VAL A 83 -13.386 0.632 -9.547 1.00 0.35 H new ATOM 0 HA VAL A 83 -13.280 -2.212 -8.763 1.00 0.35 H new ATOM 0 HB VAL A 83 -12.759 -1.510 -6.529 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -10.638 -0.306 -6.830 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -10.856 -1.579 -8.054 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -11.122 0.126 -8.487 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -12.599 0.855 -5.877 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -13.172 1.335 -7.492 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -14.243 0.424 -6.403 1.00 1.39 H new ATOM 1362 N GLY A 84 -15.676 -0.039 -8.570 1.00 0.49 N ATOM 1363 CA GLY A 84 -17.083 0.128 -8.268 1.00 0.67 C ATOM 1364 C GLY A 84 -17.515 1.575 -8.205 1.00 0.86 C ATOM 1365 O GLY A 84 -18.662 1.898 -8.514 1.00 1.76 O ATOM 0 H GLY A 84 -15.264 0.708 -9.129 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -17.673 -0.387 -9.026 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.302 -0.351 -7.313 1.00 0.67 H new ATOM 1369 N THR A 85 -16.599 2.446 -7.798 1.00 0.54 N ATOM 1370 CA THR A 85 -16.884 3.874 -7.689 1.00 0.53 C ATOM 1371 C THR A 85 -18.002 4.141 -6.685 1.00 0.75 C ATOM 1372 O THR A 85 -18.503 5.262 -6.589 1.00 1.28 O ATOM 1373 CB THR A 85 -17.283 4.491 -9.046 1.00 0.56 C ATOM 1374 OG1 THR A 85 -18.700 4.392 -9.234 1.00 0.64 O ATOM 1375 CG2 THR A 85 -16.573 3.793 -10.197 1.00 0.65 C ATOM 0 H THR A 85 -15.648 2.188 -7.537 1.00 0.54 H new ATOM 0 HA THR A 85 -15.961 4.341 -7.346 1.00 0.53 H new ATOM 0 HB THR A 85 -16.985 5.539 -9.037 1.00 0.56 H new ATOM 0 HG1 THR A 85 -18.962 3.448 -9.256 1.00 0.64 H new ATOM 0 HG21 THR A 85 -16.874 4.249 -11.140 1.00 0.65 H new ATOM 0 HG22 THR A 85 -15.495 3.893 -10.073 1.00 0.65 H new ATOM 0 HG23 THR A 85 -16.841 2.737 -10.203 1.00 0.65 H new ATOM 1383 N SER A 86 -18.387 3.111 -5.938 1.00 1.21 N ATOM 1384 CA SER A 86 -19.448 3.241 -4.946 1.00 1.44 C ATOM 1385 C SER A 86 -18.954 3.982 -3.710 1.00 0.94 C ATOM 1386 O SER A 86 -17.796 4.395 -3.641 1.00 1.80 O ATOM 1387 CB SER A 86 -19.977 1.860 -4.551 1.00 2.34 C ATOM 1388 OG SER A 86 -18.959 1.073 -3.960 1.00 2.95 O ATOM 0 H SER A 86 -17.980 2.178 -6.001 1.00 1.21 H new ATOM 0 HA SER A 86 -20.257 3.820 -5.392 1.00 1.44 H new ATOM 0 HB2 SER A 86 -20.806 1.971 -3.853 1.00 2.34 H new ATOM 0 HB3 SER A 86 -20.368 1.352 -5.432 1.00 2.34 H new ATOM 0 HG SER A 86 -19.323 0.197 -3.715 1.00 2.95 H new ATOM 1394 N SER A 87 -19.842 4.148 -2.734 1.00 0.79 N ATOM 1395 CA SER A 87 -19.501 4.841 -1.498 1.00 1.15 C ATOM 1396 C SER A 87 -18.504 4.028 -0.677 1.00 0.95 C ATOM 1397 O SER A 87 -17.535 4.569 -0.145 1.00 0.92 O ATOM 1398 CB SER A 87 -20.761 5.108 -0.673 1.00 1.76 C ATOM 1399 OG SER A 87 -21.702 5.869 -1.410 1.00 2.42 O ATOM 0 H SER A 87 -20.804 3.811 -2.776 1.00 0.79 H new ATOM 0 HA SER A 87 -19.039 5.793 -1.760 1.00 1.15 H new ATOM 0 HB2 SER A 87 -21.210 4.161 -0.372 1.00 1.76 H new ATOM 0 HB3 SER A 87 -20.495 5.639 0.241 1.00 1.76 H new ATOM 0 HG SER A 87 -22.499 6.024 -0.861 1.00 2.42 H new ATOM 1405 N SER A 88 -18.750 2.724 -0.579 1.00 0.90 N ATOM 1406 CA SER A 88 -17.875 1.836 0.178 1.00 0.79 C ATOM 1407 C SER A 88 -16.598 1.532 -0.599 1.00 0.60 C ATOM 1408 O SER A 88 -15.563 1.221 -0.010 1.00 0.53 O ATOM 1409 CB SER A 88 -18.603 0.534 0.517 1.00 0.91 C ATOM 1410 OG SER A 88 -19.015 -0.141 -0.659 1.00 1.36 O ATOM 0 H SER A 88 -19.547 2.260 -1.014 1.00 0.90 H new ATOM 0 HA SER A 88 -17.601 2.343 1.104 1.00 0.79 H new ATOM 0 HB2 SER A 88 -17.947 -0.112 1.100 1.00 0.91 H new ATOM 0 HB3 SER A 88 -19.472 0.751 1.139 1.00 0.91 H new ATOM 0 HG SER A 88 -19.476 -0.971 -0.415 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.677 1.623 -1.923 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.522 1.359 -2.775 1.00 0.40 C ATOM 1418 C ALA A 89 -14.419 2.379 -2.532 1.00 0.33 C ATOM 1419 O ALA A 89 -13.236 2.051 -2.594 1.00 0.29 O ATOM 1420 CB ALA A 89 -15.927 1.356 -4.244 1.00 0.39 C ATOM 0 H ALA A 89 -17.526 1.877 -2.428 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.136 0.372 -2.519 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -15.052 1.157 -4.862 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.675 0.581 -4.414 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -16.345 2.327 -4.508 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.811 3.618 -2.260 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.848 4.681 -2.006 1.00 0.35 C ATOM 1428 C ALA A 90 -13.095 4.431 -0.704 1.00 0.34 C ATOM 1429 O ALA A 90 -11.869 4.542 -0.652 1.00 0.32 O ATOM 1430 CB ALA A 90 -14.550 6.030 -1.966 1.00 0.42 C ATOM 0 H ALA A 90 -15.787 3.910 -2.210 1.00 0.37 H new ATOM 0 HA ALA A 90 -13.123 4.689 -2.820 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.819 6.815 -1.775 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -15.039 6.214 -2.923 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.296 6.028 -1.171 1.00 0.42 H new ATOM 1436 N SER A 91 -13.835 4.084 0.346 1.00 0.38 N ATOM 1437 CA SER A 91 -13.232 3.810 1.645 1.00 0.39 C ATOM 1438 C SER A 91 -12.327 2.588 1.565 1.00 0.36 C ATOM 1439 O SER A 91 -11.224 2.578 2.119 1.00 0.36 O ATOM 1440 CB SER A 91 -14.314 3.592 2.704 1.00 0.45 C ATOM 1441 OG SER A 91 -15.135 4.739 2.840 1.00 1.35 O ATOM 0 H SER A 91 -14.850 3.986 0.322 1.00 0.38 H new ATOM 0 HA SER A 91 -12.631 4.673 1.931 1.00 0.39 H new ATOM 0 HB2 SER A 91 -14.927 2.733 2.430 1.00 0.45 H new ATOM 0 HB3 SER A 91 -13.848 3.359 3.661 1.00 0.45 H new ATOM 0 HG SER A 91 -15.819 4.573 3.522 1.00 1.35 H new ATOM 1447 N SER A 92 -12.795 1.559 0.864 1.00 0.34 N ATOM 1448 CA SER A 92 -12.024 0.335 0.708 1.00 0.33 C ATOM 1449 C SER A 92 -10.769 0.608 -0.109 1.00 0.29 C ATOM 1450 O SER A 92 -9.688 0.116 0.214 1.00 0.29 O ATOM 1451 CB SER A 92 -12.871 -0.747 0.034 1.00 0.35 C ATOM 1452 OG SER A 92 -12.137 -1.949 -0.121 1.00 1.41 O ATOM 0 H SER A 92 -13.702 1.551 0.397 1.00 0.34 H new ATOM 0 HA SER A 92 -11.730 -0.021 1.695 1.00 0.33 H new ATOM 0 HB2 SER A 92 -13.764 -0.937 0.629 1.00 0.35 H new ATOM 0 HB3 SER A 92 -13.207 -0.395 -0.941 1.00 0.35 H new ATOM 0 HG SER A 92 -12.702 -2.624 -0.553 1.00 1.41 H new ATOM 1458 N LEU A 93 -10.916 1.403 -1.165 1.00 0.27 N ATOM 1459 CA LEU A 93 -9.787 1.746 -2.016 1.00 0.24 C ATOM 1460 C LEU A 93 -8.849 2.689 -1.283 1.00 0.26 C ATOM 1461 O LEU A 93 -7.671 2.789 -1.616 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.271 2.369 -3.326 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.455 1.383 -4.485 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.106 0.988 -5.066 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.219 0.147 -4.029 1.00 0.29 C ATOM 0 H LEU A 93 -11.803 1.819 -1.449 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.241 0.834 -2.259 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.221 2.871 -3.142 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.559 3.136 -3.631 1.00 0.21 H new ATOM 0 HG LEU A 93 -11.038 1.877 -5.262 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.255 0.288 -5.888 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.594 1.877 -5.435 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.501 0.516 -4.292 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.337 -0.538 -4.869 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -10.666 -0.349 -3.231 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.201 0.442 -3.660 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.386 3.391 -0.290 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.586 4.299 0.520 1.00 0.33 C ATOM 1479 C LYS A 94 -7.631 3.483 1.377 1.00 0.34 C ATOM 1480 O LYS A 94 -6.426 3.731 1.405 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.485 5.145 1.428 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.305 6.648 1.269 1.00 0.44 C ATOM 1483 CD LYS A 94 -7.870 7.090 1.513 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.420 6.784 2.933 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.176 7.520 3.290 1.00 0.48 N ATOM 0 H LYS A 94 -10.371 3.348 -0.028 1.00 0.29 H new ATOM 0 HA LYS A 94 -8.029 4.966 -0.138 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.526 4.893 1.225 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.288 4.876 2.466 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.607 6.943 0.264 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -9.965 7.166 1.965 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -7.210 6.588 0.806 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.782 8.160 1.326 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.213 7.051 3.631 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.251 5.712 3.038 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -5.798 7.150 4.185 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.470 7.393 2.537 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.390 8.532 3.397 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.195 2.500 2.076 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.415 1.620 2.937 1.00 0.37 C ATOM 1501 C LYS A 95 -6.464 0.774 2.104 1.00 0.35 C ATOM 1502 O LYS A 95 -5.363 0.447 2.540 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.346 0.710 3.739 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.660 -0.023 4.879 1.00 0.50 C ATOM 1505 CD LYS A 95 -7.804 0.737 6.185 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.231 -0.045 7.355 1.00 1.08 C ATOM 1507 NZ LYS A 95 -7.448 0.655 8.651 1.00 1.19 N ATOM 0 H LYS A 95 -9.194 2.294 2.061 1.00 0.34 H new ATOM 0 HA LYS A 95 -6.833 2.234 3.625 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -9.162 1.308 4.144 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -8.791 -0.022 3.065 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -8.090 -1.019 4.985 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.603 -0.155 4.646 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -7.295 1.698 6.105 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -8.857 0.948 6.369 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -7.693 -1.031 7.393 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -6.163 -0.199 7.200 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -7.043 0.089 9.423 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -6.985 1.586 8.624 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.468 0.780 8.812 1.00 1.19 H new ATOM 1521 N GLN A 96 -6.900 0.411 0.907 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.072 -0.381 0.014 1.00 0.30 C ATOM 1523 C GLN A 96 -4.926 0.464 -0.517 1.00 0.31 C ATOM 1524 O GLN A 96 -3.780 0.018 -0.574 1.00 0.35 O ATOM 1525 CB GLN A 96 -6.901 -0.925 -1.147 1.00 0.29 C ATOM 1526 CG GLN A 96 -7.805 -2.079 -0.753 1.00 0.33 C ATOM 1527 CD GLN A 96 -7.047 -3.222 -0.113 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -6.563 -4.120 -0.800 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -6.944 -3.197 1.210 1.00 1.11 N ATOM 0 H GLN A 96 -7.818 0.652 0.534 1.00 0.30 H new ATOM 0 HA GLN A 96 -5.666 -1.224 0.574 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.510 -0.120 -1.558 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.230 -1.253 -1.941 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -8.565 -1.719 -0.060 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -8.327 -2.445 -1.637 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -7.361 -2.432 1.740 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -6.447 -3.943 1.697 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.247 1.700 -0.882 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.255 2.621 -1.409 1.00 0.32 C ATOM 1540 C TYR A 97 -3.176 2.891 -0.372 1.00 0.36 C ATOM 1541 O TYR A 97 -1.987 2.903 -0.691 1.00 0.41 O ATOM 1542 CB TYR A 97 -4.929 3.931 -1.839 1.00 0.33 C ATOM 1543 CG TYR A 97 -3.995 5.120 -1.899 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.248 5.385 -3.039 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -3.866 5.979 -0.814 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.397 6.472 -3.095 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -3.017 7.068 -0.862 1.00 0.36 C ATOM 1548 CZ TYR A 97 -2.284 7.310 -2.005 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.437 8.392 -2.058 1.00 0.41 O ATOM 0 H TYR A 97 -6.190 2.085 -0.821 1.00 0.30 H new ATOM 0 HA TYR A 97 -3.784 2.168 -2.281 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.381 3.789 -2.821 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.739 4.154 -1.145 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.333 4.732 -3.895 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -4.439 5.792 0.082 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -1.822 6.665 -3.989 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -2.928 7.726 -0.010 1.00 0.36 H new ATOM 0 HH TYR A 97 -1.415 8.833 -1.183 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.593 3.104 0.871 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.647 3.367 1.940 1.00 0.42 C ATOM 1561 C ILE A 98 -1.854 2.107 2.276 1.00 0.41 C ATOM 1562 O ILE A 98 -0.636 2.144 2.373 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.348 3.908 3.209 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.320 2.877 3.777 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -4.062 5.215 2.895 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -5.074 3.359 5.001 1.00 0.44 C ATOM 0 H ILE A 98 -4.572 3.099 1.158 1.00 0.37 H new ATOM 0 HA ILE A 98 -1.962 4.136 1.584 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.590 4.101 3.968 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.038 2.603 3.004 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -3.768 1.973 4.034 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.552 5.587 3.795 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -3.337 5.951 2.546 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.809 5.045 2.119 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -5.745 2.573 5.348 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.365 3.606 5.791 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.655 4.245 4.745 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.545 0.981 2.417 1.00 0.44 N ATOM 1579 CA GLN A 99 -1.882 -0.277 2.742 1.00 0.45 C ATOM 1580 C GLN A 99 -0.980 -0.738 1.603 1.00 0.47 C ATOM 1581 O GLN A 99 -0.078 -1.550 1.812 1.00 0.52 O ATOM 1582 CB GLN A 99 -2.914 -1.369 3.049 1.00 0.42 C ATOM 1583 CG GLN A 99 -3.648 -1.168 4.365 1.00 0.43 C ATOM 1584 CD GLN A 99 -4.665 -2.261 4.636 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -5.253 -2.822 3.711 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -4.875 -2.571 5.910 1.00 1.84 N ATOM 0 H GLN A 99 -3.557 0.913 2.312 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.267 -0.103 3.625 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -3.643 -1.405 2.239 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -2.411 -2.336 3.068 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -2.925 -1.139 5.180 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.152 -0.202 4.352 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -4.366 -2.080 6.645 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -5.546 -3.300 6.154 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.215 -0.216 0.400 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.427 -0.617 -0.760 1.00 0.49 C ATOM 1597 C CYS A 100 0.626 0.411 -1.171 1.00 0.60 C ATOM 1598 O CYS A 100 1.584 0.062 -1.862 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.344 -0.883 -1.930 1.00 0.43 C ATOM 1600 SG CYS A 100 -0.509 -1.491 -3.413 1.00 0.55 S ATOM 0 H CYS A 100 -1.937 0.478 0.206 1.00 0.45 H new ATOM 0 HA CYS A 100 0.109 -1.520 -0.469 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -2.096 -1.611 -1.628 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -1.873 0.037 -2.178 1.00 0.43 H new ATOM 0 HG CYS A 100 0.741 -1.136 -3.383 1.00 0.55 H new ATOM 1606 N LEU A 101 0.470 1.671 -0.765 1.00 0.63 N ATOM 1607 CA LEU A 101 1.431 2.695 -1.170 1.00 0.81 C ATOM 1608 C LEU A 101 2.121 3.398 -0.003 1.00 0.75 C ATOM 1609 O LEU A 101 3.039 4.188 -0.218 1.00 0.85 O ATOM 1610 CB LEU A 101 0.762 3.732 -2.073 1.00 1.26 C ATOM 1611 CG LEU A 101 0.589 3.297 -3.529 1.00 0.67 C ATOM 1612 CD1 LEU A 101 -0.544 2.292 -3.656 1.00 1.58 C ATOM 1613 CD2 LEU A 101 0.339 4.504 -4.420 1.00 1.42 C ATOM 0 H LEU A 101 -0.291 2.001 -0.172 1.00 0.63 H new ATOM 0 HA LEU A 101 2.211 2.164 -1.716 1.00 0.81 H new ATOM 0 HB2 LEU A 101 -0.218 3.973 -1.662 1.00 1.26 H new ATOM 0 HB3 LEU A 101 1.352 4.648 -2.050 1.00 1.26 H new ATOM 0 HG LEU A 101 1.510 2.815 -3.856 1.00 0.67 H new ATOM 0 HD11 LEU A 101 -0.651 1.995 -4.699 1.00 1.58 H new ATOM 0 HD12 LEU A 101 -0.321 1.414 -3.050 1.00 1.58 H new ATOM 0 HD13 LEU A 101 -1.473 2.745 -3.311 1.00 1.58 H new ATOM 0 HD21 LEU A 101 0.218 4.175 -5.452 1.00 1.42 H new ATOM 0 HD22 LEU A 101 -0.566 5.016 -4.094 1.00 1.42 H new ATOM 0 HD23 LEU A 101 1.186 5.187 -4.353 1.00 1.42 H new ATOM 1625 N TYR A 102 1.695 3.144 1.223 1.00 0.74 N ATOM 1626 CA TYR A 102 2.341 3.791 2.357 1.00 0.90 C ATOM 1627 C TYR A 102 3.755 3.264 2.524 1.00 0.96 C ATOM 1628 O TYR A 102 4.716 4.035 2.555 1.00 1.13 O ATOM 1629 CB TYR A 102 1.540 3.600 3.648 1.00 0.98 C ATOM 1630 CG TYR A 102 1.185 4.899 4.332 1.00 1.21 C ATOM 1631 CD1 TYR A 102 2.167 5.690 4.917 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.132 5.337 4.392 1.00 0.96 C ATOM 1633 CE1 TYR A 102 1.845 6.880 5.542 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.461 6.526 5.015 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.536 7.290 5.597 1.00 1.70 C ATOM 1636 OH TYR A 102 0.205 8.475 6.211 1.00 1.96 O ATOM 0 H TYR A 102 0.928 2.514 1.457 1.00 0.74 H new ATOM 0 HA TYR A 102 2.382 4.861 2.153 1.00 0.90 H new ATOM 0 HB2 TYR A 102 0.624 3.055 3.421 1.00 0.98 H new ATOM 0 HB3 TYR A 102 2.116 2.981 4.336 1.00 0.98 H new ATOM 0 HD1 TYR A 102 3.198 5.370 4.883 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -0.912 4.738 3.944 1.00 0.96 H new ATOM 0 HE1 TYR A 102 2.621 7.486 5.986 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.489 6.857 5.048 1.00 1.21 H new ATOM 0 HH TYR A 102 -0.764 8.612 6.158 1.00 1.96 H new ATOM 1646 N ALA A 103 3.880 1.949 2.624 1.00 0.96 N ATOM 1647 CA ALA A 103 5.183 1.326 2.759 1.00 1.15 C ATOM 1648 C ALA A 103 5.913 1.363 1.425 1.00 1.04 C ATOM 1649 O ALA A 103 7.141 1.447 1.380 1.00 1.16 O ATOM 1650 CB ALA A 103 5.054 -0.102 3.262 1.00 1.39 C ATOM 0 H ALA A 103 3.096 1.297 2.614 1.00 0.96 H new ATOM 0 HA ALA A 103 5.762 1.885 3.494 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.045 -0.546 3.354 1.00 1.39 H new ATOM 0 HB2 ALA A 103 4.564 -0.102 4.236 1.00 1.39 H new ATOM 0 HB3 ALA A 103 4.460 -0.684 2.557 1.00 1.39 H new ATOM 1656 N PHE A 104 5.146 1.293 0.337 1.00 0.87 N ATOM 1657 CA PHE A 104 5.721 1.330 -1.001 1.00 0.87 C ATOM 1658 C PHE A 104 6.457 2.638 -1.228 1.00 0.85 C ATOM 1659 O PHE A 104 7.416 2.679 -1.983 1.00 0.93 O ATOM 1660 CB PHE A 104 4.644 1.094 -2.079 1.00 0.96 C ATOM 1661 CG PHE A 104 4.585 2.112 -3.189 1.00 1.89 C ATOM 1662 CD1 PHE A 104 4.112 3.397 -2.970 1.00 2.80 C ATOM 1663 CD2 PHE A 104 4.991 1.765 -4.466 1.00 2.36 C ATOM 1664 CE1 PHE A 104 4.047 4.312 -4.000 1.00 4.03 C ATOM 1665 CE2 PHE A 104 4.929 2.676 -5.499 1.00 3.48 C ATOM 1666 CZ PHE A 104 4.458 3.951 -5.265 1.00 4.31 C ATOM 0 H PHE A 104 4.130 1.211 0.359 1.00 0.87 H new ATOM 0 HA PHE A 104 6.444 0.518 -1.084 1.00 0.87 H new ATOM 0 HB2 PHE A 104 4.811 0.112 -2.522 1.00 0.96 H new ATOM 0 HB3 PHE A 104 3.670 1.062 -1.590 1.00 0.96 H new ATOM 0 HD1 PHE A 104 3.790 3.685 -1.980 1.00 2.80 H new ATOM 0 HD2 PHE A 104 5.361 0.768 -4.656 1.00 2.36 H new ATOM 0 HE1 PHE A 104 3.675 5.309 -3.816 1.00 4.03 H new ATOM 0 HE2 PHE A 104 5.249 2.391 -6.491 1.00 3.48 H new ATOM 0 HZ PHE A 104 4.411 4.666 -6.073 1.00 4.31 H new ATOM 1676 N GLU A 105 6.007 3.715 -0.590 1.00 0.90 N ATOM 1677 CA GLU A 105 6.678 4.997 -0.763 1.00 1.14 C ATOM 1678 C GLU A 105 8.123 4.903 -0.288 1.00 1.25 C ATOM 1679 O GLU A 105 9.040 5.383 -0.954 1.00 1.40 O ATOM 1680 CB GLU A 105 5.936 6.102 -0.006 1.00 1.31 C ATOM 1681 CG GLU A 105 6.525 7.489 -0.212 1.00 1.56 C ATOM 1682 CD GLU A 105 6.303 8.016 -1.616 1.00 2.56 C ATOM 1683 OE1 GLU A 105 7.104 7.676 -2.510 1.00 2.95 O ATOM 1684 OE2 GLU A 105 5.329 8.770 -1.820 1.00 3.26 O ATOM 0 H GLU A 105 5.202 3.727 0.036 1.00 0.90 H new ATOM 0 HA GLU A 105 6.674 5.249 -1.823 1.00 1.14 H new ATOM 0 HB2 GLU A 105 4.893 6.110 -0.323 1.00 1.31 H new ATOM 0 HB3 GLU A 105 5.944 5.869 1.059 1.00 1.31 H new ATOM 0 HG2 GLU A 105 6.080 8.179 0.505 1.00 1.56 H new ATOM 0 HG3 GLU A 105 7.595 7.460 -0.004 1.00 1.56 H new ATOM 1691 N CYS A 106 8.317 4.282 0.869 1.00 1.26 N ATOM 1692 CA CYS A 106 9.648 4.110 1.440 1.00 1.44 C ATOM 1693 C CYS A 106 10.428 3.033 0.698 1.00 1.36 C ATOM 1694 O CYS A 106 11.648 3.096 0.578 1.00 1.50 O ATOM 1695 CB CYS A 106 9.538 3.723 2.914 1.00 1.58 C ATOM 1696 SG CYS A 106 10.999 4.128 3.901 1.00 1.89 S ATOM 0 H CYS A 106 7.565 3.887 1.433 1.00 1.26 H new ATOM 0 HA CYS A 106 10.179 5.057 1.343 1.00 1.44 H new ATOM 0 HB2 CYS A 106 8.672 4.225 3.346 1.00 1.58 H new ATOM 0 HB3 CYS A 106 9.353 2.651 2.983 1.00 1.58 H new ATOM 0 HG CYS A 106 10.805 3.763 5.133 1.00 1.89 H new ATOM 1702 N LYS A 107 9.721 2.015 0.251 1.00 1.19 N ATOM 1703 CA LYS A 107 10.342 0.919 -0.468 1.00 1.19 C ATOM 1704 C LYS A 107 10.664 1.322 -1.907 1.00 1.18 C ATOM 1705 O LYS A 107 11.588 0.785 -2.517 1.00 1.25 O ATOM 1706 CB LYS A 107 9.424 -0.303 -0.424 1.00 1.17 C ATOM 1707 CG LYS A 107 9.756 -1.368 -1.453 1.00 1.31 C ATOM 1708 CD LYS A 107 8.959 -1.163 -2.729 1.00 1.24 C ATOM 1709 CE LYS A 107 7.503 -1.548 -2.539 1.00 2.00 C ATOM 1710 NZ LYS A 107 7.368 -2.862 -1.859 1.00 2.84 N ATOM 0 H LYS A 107 8.713 1.923 0.373 1.00 1.19 H new ATOM 0 HA LYS A 107 11.286 0.665 0.013 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.475 -0.746 0.571 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.395 0.024 -0.575 1.00 1.17 H new ATOM 0 HG2 LYS A 107 10.822 -1.341 -1.678 1.00 1.31 H new ATOM 0 HG3 LYS A 107 9.542 -2.355 -1.042 1.00 1.31 H new ATOM 0 HD2 LYS A 107 9.024 -0.119 -3.037 1.00 1.24 H new ATOM 0 HD3 LYS A 107 9.393 -1.760 -3.531 1.00 1.24 H new ATOM 0 HE2 LYS A 107 6.997 -0.781 -1.953 1.00 2.00 H new ATOM 0 HE3 LYS A 107 7.007 -1.587 -3.509 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 6.364 -3.132 -1.822 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 7.901 -3.582 -2.387 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 7.744 -2.793 -0.892 1.00 2.84 H new ATOM 1724 N ILE A 108 9.904 2.275 -2.443 1.00 1.14 N ATOM 1725 CA ILE A 108 10.115 2.737 -3.809 1.00 1.20 C ATOM 1726 C ILE A 108 11.121 3.880 -3.839 1.00 1.36 C ATOM 1727 O ILE A 108 11.740 4.149 -4.868 1.00 1.39 O ATOM 1728 CB ILE A 108 8.781 3.159 -4.479 1.00 1.14 C ATOM 1729 CG1 ILE A 108 8.733 2.681 -5.926 1.00 1.21 C ATOM 1730 CG2 ILE A 108 8.545 4.661 -4.414 1.00 1.42 C ATOM 1731 CD1 ILE A 108 8.062 1.337 -6.082 1.00 1.07 C ATOM 0 H ILE A 108 9.140 2.740 -1.953 1.00 1.14 H new ATOM 0 HA ILE A 108 10.521 1.904 -4.383 1.00 1.20 H new ATOM 0 HB ILE A 108 7.980 2.681 -3.915 1.00 1.14 H new ATOM 0 HG12 ILE A 108 8.202 3.418 -6.529 1.00 1.21 H new ATOM 0 HG13 ILE A 108 9.749 2.621 -6.317 1.00 1.21 H new ATOM 0 HG21 ILE A 108 7.598 4.902 -4.897 1.00 1.42 H new ATOM 0 HG22 ILE A 108 8.512 4.979 -3.372 1.00 1.42 H new ATOM 0 HG23 ILE A 108 9.356 5.179 -4.926 1.00 1.42 H new ATOM 0 HD11 ILE A 108 8.059 1.052 -7.134 1.00 1.07 H new ATOM 0 HD12 ILE A 108 8.606 0.589 -5.505 1.00 1.07 H new ATOM 0 HD13 ILE A 108 7.036 1.398 -5.720 1.00 1.07 H new ATOM 1743 N GLU A 109 11.281 4.549 -2.698 1.00 1.53 N ATOM 1744 CA GLU A 109 12.218 5.660 -2.595 1.00 1.75 C ATOM 1745 C GLU A 109 13.655 5.159 -2.640 1.00 1.94 C ATOM 1746 O GLU A 109 14.595 5.951 -2.707 1.00 1.93 O ATOM 1747 CB GLU A 109 11.970 6.465 -1.319 1.00 2.21 C ATOM 1748 CG GLU A 109 12.337 5.716 -0.057 1.00 2.67 C ATOM 1749 CD GLU A 109 13.635 6.199 0.555 1.00 3.61 C ATOM 1750 OE1 GLU A 109 13.591 7.138 1.378 1.00 3.70 O ATOM 1751 OE2 GLU A 109 14.699 5.640 0.211 1.00 4.40 O ATOM 0 H GLU A 109 10.775 4.340 -1.837 1.00 1.53 H new ATOM 0 HA GLU A 109 12.057 6.317 -3.449 1.00 1.75 H new ATOM 0 HB2 GLU A 109 12.545 7.390 -1.364 1.00 2.21 H new ATOM 0 HB3 GLU A 109 10.918 6.745 -1.274 1.00 2.21 H new ATOM 0 HG2 GLU A 109 11.534 5.826 0.672 1.00 2.67 H new ATOM 0 HG3 GLU A 109 12.420 4.653 -0.282 1.00 2.67 H new ATOM 1758 N ARG A 110 13.818 3.840 -2.597 1.00 2.33 N ATOM 1759 CA ARG A 110 15.142 3.236 -2.664 1.00 2.84 C ATOM 1760 C ARG A 110 15.767 3.556 -4.015 1.00 2.84 C ATOM 1761 O ARG A 110 16.978 3.439 -4.207 1.00 3.18 O ATOM 1762 CB ARG A 110 15.045 1.723 -2.469 1.00 3.59 C ATOM 1763 CG ARG A 110 16.377 1.056 -2.172 1.00 4.30 C ATOM 1764 CD ARG A 110 16.196 -0.428 -1.892 1.00 5.11 C ATOM 1765 NE ARG A 110 17.445 -1.069 -1.496 1.00 6.04 N ATOM 1766 CZ ARG A 110 17.505 -2.250 -0.889 1.00 6.84 C ATOM 1767 NH1 ARG A 110 16.391 -2.921 -0.624 1.00 6.92 N ATOM 1768 NH2 ARG A 110 18.679 -2.763 -0.549 1.00 7.79 N ATOM 0 H ARG A 110 13.052 3.172 -2.516 1.00 2.33 H new ATOM 0 HA ARG A 110 15.768 3.642 -1.869 1.00 2.84 H new ATOM 0 HB2 ARG A 110 14.355 1.515 -1.651 1.00 3.59 H new ATOM 0 HB3 ARG A 110 14.618 1.277 -3.367 1.00 3.59 H new ATOM 0 HG2 ARG A 110 17.051 1.190 -3.018 1.00 4.30 H new ATOM 0 HG3 ARG A 110 16.844 1.537 -1.313 1.00 4.30 H new ATOM 0 HD2 ARG A 110 15.456 -0.560 -1.103 1.00 5.11 H new ATOM 0 HD3 ARG A 110 15.804 -0.919 -2.783 1.00 5.11 H new ATOM 0 HE ARG A 110 18.320 -0.585 -1.696 1.00 6.04 H new ATOM 0 HH11 ARG A 110 15.486 -2.531 -0.886 1.00 6.92 H new ATOM 0 HH12 ARG A 110 16.440 -3.827 -0.158 1.00 6.92 H new ATOM 0 HH21 ARG A 110 19.537 -2.251 -0.753 1.00 7.79 H new ATOM 0 HH22 ARG A 110 18.724 -3.669 -0.083 1.00 7.79 H new ATOM 1782 N GLY A 111 14.910 3.963 -4.947 1.00 3.09 N ATOM 1783 CA GLY A 111 15.349 4.325 -6.279 1.00 3.57 C ATOM 1784 C GLY A 111 14.726 5.631 -6.731 1.00 3.37 C ATOM 1785 O GLY A 111 15.148 6.222 -7.725 1.00 3.90 O ATOM 0 H GLY A 111 13.905 4.049 -4.797 1.00 3.09 H new ATOM 0 HA2 GLY A 111 16.435 4.414 -6.294 1.00 3.57 H new ATOM 0 HA3 GLY A 111 15.084 3.532 -6.979 1.00 3.57 H new ATOM 1789 N GLU A 112 13.709 6.078 -5.993 1.00 2.96 N ATOM 1790 CA GLU A 112 13.020 7.326 -6.300 1.00 3.23 C ATOM 1791 C GLU A 112 13.918 8.515 -5.962 1.00 3.81 C ATOM 1792 O GLU A 112 13.594 9.664 -6.270 1.00 4.33 O ATOM 1793 CB GLU A 112 11.671 7.380 -5.553 1.00 2.71 C ATOM 1794 CG GLU A 112 11.590 8.407 -4.428 1.00 2.52 C ATOM 1795 CD GLU A 112 10.616 9.528 -4.733 1.00 3.43 C ATOM 1796 OE1 GLU A 112 9.421 9.382 -4.403 1.00 3.75 O ATOM 1797 OE2 GLU A 112 11.049 10.553 -5.303 1.00 4.13 O ATOM 0 H GLU A 112 13.345 5.589 -5.175 1.00 2.96 H new ATOM 0 HA GLU A 112 12.803 7.376 -7.367 1.00 3.23 H new ATOM 0 HB2 GLU A 112 10.883 7.593 -6.275 1.00 2.71 H new ATOM 0 HB3 GLU A 112 11.464 6.394 -5.138 1.00 2.71 H new ATOM 0 HG2 GLU A 112 11.288 7.909 -3.507 1.00 2.52 H new ATOM 0 HG3 GLU A 112 12.580 8.828 -4.253 1.00 2.52 H new ATOM 1804 N ASP A 113 15.060 8.217 -5.338 1.00 4.16 N ATOM 1805 CA ASP A 113 16.030 9.239 -4.952 1.00 4.98 C ATOM 1806 C ASP A 113 17.272 8.598 -4.320 1.00 5.17 C ATOM 1807 O ASP A 113 17.389 8.544 -3.095 1.00 5.40 O ATOM 1808 CB ASP A 113 15.401 10.232 -3.970 1.00 5.30 C ATOM 1809 CG ASP A 113 16.378 11.302 -3.520 1.00 6.34 C ATOM 1810 OD1 ASP A 113 17.037 11.909 -4.391 1.00 6.77 O ATOM 1811 OD2 ASP A 113 16.481 11.536 -2.297 1.00 6.92 O ATOM 0 H ASP A 113 15.335 7.267 -5.088 1.00 4.16 H new ATOM 0 HA ASP A 113 16.332 9.774 -5.852 1.00 4.98 H new ATOM 0 HB2 ASP A 113 14.539 10.706 -4.440 1.00 5.30 H new ATOM 0 HB3 ASP A 113 15.032 9.692 -3.098 1.00 5.30 H new ATOM 1816 N PRO A 114 18.212 8.090 -5.148 1.00 5.29 N ATOM 1817 CA PRO A 114 19.447 7.457 -4.655 1.00 5.63 C ATOM 1818 C PRO A 114 20.274 8.402 -3.780 1.00 6.02 C ATOM 1819 O PRO A 114 20.862 9.360 -4.284 1.00 6.48 O ATOM 1820 CB PRO A 114 20.216 7.114 -5.935 1.00 5.90 C ATOM 1821 CG PRO A 114 19.179 7.064 -7.003 1.00 5.86 C ATOM 1822 CD PRO A 114 18.144 8.083 -6.620 1.00 5.38 C ATOM 0 HA PRO A 114 19.233 6.592 -4.027 1.00 5.63 H new ATOM 0 HB2 PRO A 114 20.973 7.867 -6.155 1.00 5.90 H new ATOM 0 HB3 PRO A 114 20.733 6.159 -5.841 1.00 5.90 H new ATOM 0 HG2 PRO A 114 19.611 7.293 -7.977 1.00 5.86 H new ATOM 0 HG3 PRO A 114 18.740 6.069 -7.075 1.00 5.86 H new ATOM 0 HD2 PRO A 114 18.369 9.064 -7.039 1.00 5.38 H new ATOM 0 HD3 PRO A 114 17.152 7.804 -6.977 1.00 5.38 H new ATOM 1830 N PRO A 115 20.329 8.152 -2.454 1.00 6.12 N ATOM 1831 CA PRO A 115 21.081 9.006 -1.537 1.00 6.70 C ATOM 1832 C PRO A 115 22.569 9.158 -1.898 1.00 7.65 C ATOM 1833 O PRO A 115 23.057 10.284 -1.994 1.00 8.07 O ATOM 1834 CB PRO A 115 20.928 8.355 -0.157 1.00 6.80 C ATOM 1835 CG PRO A 115 20.044 7.158 -0.319 1.00 6.57 C ATOM 1836 CD PRO A 115 19.644 7.042 -1.768 1.00 6.02 C ATOM 0 HA PRO A 115 20.687 10.022 -1.579 1.00 6.70 H new ATOM 0 HB2 PRO A 115 21.901 8.062 0.239 1.00 6.80 H new ATOM 0 HB3 PRO A 115 20.494 9.059 0.553 1.00 6.80 H new ATOM 0 HG2 PRO A 115 20.567 6.257 0.002 1.00 6.57 H new ATOM 0 HG3 PRO A 115 19.159 7.254 0.310 1.00 6.57 H new ATOM 0 HD2 PRO A 115 19.944 6.079 -2.182 1.00 6.02 H new ATOM 0 HD3 PRO A 115 18.563 7.116 -1.884 1.00 6.02 H new ATOM 1844 N PRO A 116 23.325 8.052 -2.106 1.00 8.23 N ATOM 1845 CA PRO A 116 24.746 8.128 -2.424 1.00 9.31 C ATOM 1846 C PRO A 116 25.043 8.043 -3.918 1.00 9.94 C ATOM 1847 O PRO A 116 26.190 8.213 -4.335 1.00 10.77 O ATOM 1848 CB PRO A 116 25.261 6.881 -1.724 1.00 9.77 C ATOM 1849 CG PRO A 116 24.195 5.871 -1.983 1.00 9.23 C ATOM 1850 CD PRO A 116 22.892 6.639 -2.041 1.00 8.14 C ATOM 0 HA PRO A 116 25.195 9.073 -2.118 1.00 9.31 H new ATOM 0 HB2 PRO A 116 26.222 6.562 -2.127 1.00 9.77 H new ATOM 0 HB3 PRO A 116 25.403 7.050 -0.657 1.00 9.77 H new ATOM 0 HG2 PRO A 116 24.378 5.343 -2.919 1.00 9.23 H new ATOM 0 HG3 PRO A 116 24.170 5.120 -1.193 1.00 9.23 H new ATOM 0 HD2 PRO A 116 22.301 6.360 -2.913 1.00 8.14 H new ATOM 0 HD3 PRO A 116 22.275 6.449 -1.163 1.00 8.14 H new ATOM 1858 N ASP A 117 24.016 7.778 -4.721 1.00 9.71 N ATOM 1859 CA ASP A 117 24.198 7.645 -6.162 1.00 10.46 C ATOM 1860 C ASP A 117 25.208 6.538 -6.441 1.00 11.09 C ATOM 1861 O ASP A 117 26.077 6.666 -7.303 1.00 12.07 O ATOM 1862 CB ASP A 117 24.674 8.966 -6.773 1.00 11.26 C ATOM 1863 CG ASP A 117 23.677 10.090 -6.573 1.00 11.99 C ATOM 1864 OD1 ASP A 117 22.787 10.255 -7.435 1.00 12.06 O ATOM 1865 OD2 ASP A 117 23.787 10.807 -5.557 1.00 12.59 O ATOM 0 H ASP A 117 23.056 7.652 -4.401 1.00 9.71 H new ATOM 0 HA ASP A 117 23.242 7.389 -6.619 1.00 10.46 H new ATOM 0 HB2 ASP A 117 25.628 9.247 -6.326 1.00 11.26 H new ATOM 0 HB3 ASP A 117 24.851 8.827 -7.840 1.00 11.26 H new ATOM 1870 N ILE A 118 25.068 5.450 -5.687 1.00 10.65 N ATOM 1871 CA ILE A 118 25.948 4.289 -5.792 1.00 11.40 C ATOM 1872 C ILE A 118 26.293 3.946 -7.241 1.00 11.83 C ATOM 1873 O ILE A 118 27.429 3.577 -7.543 1.00 11.94 O ATOM 1874 CB ILE A 118 25.306 3.063 -5.113 1.00 11.08 C ATOM 1875 CG1 ILE A 118 26.262 1.871 -5.131 1.00 12.09 C ATOM 1876 CG2 ILE A 118 23.991 2.705 -5.794 1.00 10.32 C ATOM 1877 CD1 ILE A 118 25.804 0.726 -4.254 1.00 12.08 C ATOM 0 H ILE A 118 24.337 5.349 -4.983 1.00 10.65 H new ATOM 0 HA ILE A 118 26.875 4.552 -5.283 1.00 11.40 H new ATOM 0 HB ILE A 118 25.099 3.317 -4.073 1.00 11.08 H new ATOM 0 HG12 ILE A 118 26.369 1.515 -6.156 1.00 12.09 H new ATOM 0 HG13 ILE A 118 27.248 2.199 -4.803 1.00 12.09 H new ATOM 0 HG21 ILE A 118 23.551 1.837 -5.302 1.00 10.32 H new ATOM 0 HG22 ILE A 118 23.304 3.548 -5.725 1.00 10.32 H new ATOM 0 HG23 ILE A 118 24.176 2.473 -6.843 1.00 10.32 H new ATOM 0 HD11 ILE A 118 26.527 -0.088 -4.312 1.00 12.08 H new ATOM 0 HD12 ILE A 118 25.724 1.068 -3.222 1.00 12.08 H new ATOM 0 HD13 ILE A 118 24.831 0.372 -4.596 1.00 12.08 H new ATOM 1889 N PHE A 119 25.315 4.067 -8.131 1.00 12.27 N ATOM 1890 CA PHE A 119 25.530 3.765 -9.542 1.00 12.90 C ATOM 1891 C PHE A 119 24.757 4.733 -10.433 1.00 12.45 C ATOM 1892 O PHE A 119 23.734 5.285 -10.026 1.00 12.29 O ATOM 1893 CB PHE A 119 25.113 2.324 -9.850 1.00 13.53 C ATOM 1894 CG PHE A 119 26.057 1.287 -9.303 1.00 14.30 C ATOM 1895 CD1 PHE A 119 27.379 1.246 -9.720 1.00 14.84 C ATOM 1896 CD2 PHE A 119 25.625 0.360 -8.368 1.00 14.59 C ATOM 1897 CE1 PHE A 119 28.249 0.299 -9.215 1.00 15.66 C ATOM 1898 CE2 PHE A 119 26.491 -0.589 -7.860 1.00 15.41 C ATOM 1899 CZ PHE A 119 27.796 -0.638 -8.304 1.00 15.96 C ATOM 0 H PHE A 119 24.369 4.371 -7.902 1.00 12.27 H new ATOM 0 HA PHE A 119 26.594 3.879 -9.751 1.00 12.90 H new ATOM 0 HB2 PHE A 119 24.118 2.148 -9.440 1.00 13.53 H new ATOM 0 HB3 PHE A 119 25.039 2.200 -10.930 1.00 13.53 H new ATOM 0 HD1 PHE A 119 27.732 1.962 -10.447 1.00 14.84 H new ATOM 0 HD2 PHE A 119 24.599 0.380 -8.032 1.00 14.59 H new ATOM 0 HE1 PHE A 119 29.282 0.290 -9.531 1.00 15.66 H new ATOM 0 HE2 PHE A 119 26.147 -1.292 -7.116 1.00 15.41 H new ATOM 0 HZ PHE A 119 28.463 -1.406 -7.941 1.00 15.96 H new ATOM 1909 N ALA A 120 25.257 4.935 -11.648 1.00 12.44 N ATOM 1910 CA ALA A 120 24.617 5.836 -12.600 1.00 12.26 C ATOM 1911 C ALA A 120 23.651 5.080 -13.507 1.00 12.67 C ATOM 1912 O ALA A 120 24.097 4.585 -14.565 1.00 13.33 O ATOM 1913 CB ALA A 120 25.667 6.560 -13.427 1.00 12.38 C ATOM 1914 OXT ALA A 120 22.456 4.991 -13.155 1.00 12.49 O ATOM 0 H ALA A 120 26.104 4.486 -11.997 1.00 12.44 H new ATOM 0 HA ALA A 120 24.043 6.573 -12.038 1.00 12.26 H new ATOM 0 HB1 ALA A 120 25.176 7.229 -14.133 1.00 12.38 H new ATOM 0 HB2 ALA A 120 26.313 7.139 -12.768 1.00 12.38 H new ATOM 0 HB3 ALA A 120 26.266 5.831 -13.974 1.00 12.38 H new TER 1920 ALA A 120