USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -167:sc=-0.00503 (180deg=-0.183) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.4) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-7.4!) USER MOD Single : A 12 GLN : amide:sc= -1.5! C(o=-1.5!,f=-2.8!) USER MOD Single : A 15 MET CE :methyl -146:sc= -0.407 (180deg=-2.02!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.0595 (180deg=-0.499) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 31 SER OG : rot -73:sc= 0.36 USER MOD Single : A 36 MET CE :methyl -155:sc= -0.224 (180deg=-1.55!) USER MOD Single : A 39 ASN : amide:sc= -12.8! C(o=-13!,f=-15!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -79:sc= -2.39! USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= -0.433 (180deg=-0.828) USER MOD Single : A 46 MET CE :methyl -144:sc= -1.74 (180deg=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.446 13.161 -3.378 1.00 0.00 N ATOM 2 CA LYS A 1 -7.353 11.956 -2.506 1.00 0.00 C ATOM 3 C LYS A 1 -8.492 11.976 -1.485 1.00 0.00 C ATOM 4 O LYS A 1 -9.323 11.090 -1.449 1.00 0.00 O ATOM 5 CB LYS A 1 -6.009 11.960 -1.773 1.00 0.00 C ATOM 6 CG LYS A 1 -4.880 11.715 -2.777 1.00 0.00 C ATOM 7 CD LYS A 1 -3.551 11.593 -2.031 1.00 0.00 C ATOM 8 CE LYS A 1 -2.402 11.541 -3.041 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.837 12.908 -3.223 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.820 13.044 -4.200 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.427 13.279 -3.703 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.156 14.002 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.430 11.057 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.861 12.915 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.000 11.188 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.075 10.805 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.833 12.534 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.420 12.441 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.549 10.694 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.627 10.859 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.760 11.154 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.056 12.872 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.579 13.546 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.481 13.261 -2.312 1.00 0.00 H new ATOM 10 N ASN A 2 -8.538 12.982 -0.654 1.00 0.00 N ATOM 11 CA ASN A 2 -9.622 13.060 0.363 1.00 0.00 C ATOM 12 C ASN A 2 -10.979 12.900 -0.325 1.00 0.00 C ATOM 13 O ASN A 2 -11.935 12.433 0.264 1.00 0.00 O ATOM 14 CB ASN A 2 -9.565 14.417 1.067 1.00 0.00 C ATOM 15 CG ASN A 2 -8.218 14.569 1.777 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.559 13.591 2.071 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.778 15.762 2.068 1.00 0.00 N ATOM 0 H ASN A 2 -7.871 13.753 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.490 12.264 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.699 15.220 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.379 14.499 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.882 15.873 2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.330 16.583 1.822 1.00 0.00 H new ATOM 18 N GLU A 3 -11.074 13.287 -1.568 1.00 0.00 N ATOM 19 CA GLU A 3 -12.368 13.158 -2.293 1.00 0.00 C ATOM 20 C GLU A 3 -12.876 11.719 -2.182 1.00 0.00 C ATOM 21 O GLU A 3 -14.050 11.450 -2.338 1.00 0.00 O ATOM 22 CB GLU A 3 -12.165 13.515 -3.766 1.00 0.00 C ATOM 23 CG GLU A 3 -13.516 13.511 -4.483 1.00 0.00 C ATOM 24 CD GLU A 3 -13.296 13.692 -5.987 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.149 13.796 -6.388 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.277 13.723 -6.710 1.00 0.00 O ATOM 0 H GLU A 3 -10.310 13.687 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.099 13.835 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.698 14.496 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.490 12.799 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.039 12.574 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.147 14.312 -4.098 1.00 0.00 H new ATOM 27 N ASP A 4 -11.999 10.790 -1.913 1.00 0.00 N ATOM 28 CA ASP A 4 -12.432 9.370 -1.794 1.00 0.00 C ATOM 29 C ASP A 4 -13.233 9.187 -0.502 1.00 0.00 C ATOM 30 O ASP A 4 -14.028 8.277 -0.378 1.00 0.00 O ATOM 31 CB ASP A 4 -11.200 8.463 -1.763 1.00 0.00 C ATOM 32 CG ASP A 4 -10.300 8.865 -0.593 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.610 9.849 0.057 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.316 8.179 -0.366 1.00 0.00 O ATOM 0 H ASP A 4 -11.002 10.954 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.056 9.107 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.505 7.421 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.652 8.544 -2.702 1.00 0.00 H new ATOM 35 N GLN A 5 -13.031 10.046 0.460 1.00 0.00 N ATOM 36 CA GLN A 5 -13.782 9.919 1.741 1.00 0.00 C ATOM 37 C GLN A 5 -15.264 10.213 1.500 1.00 0.00 C ATOM 38 O GLN A 5 -16.127 9.691 2.178 1.00 0.00 O ATOM 39 CB GLN A 5 -13.226 10.917 2.760 1.00 0.00 C ATOM 40 CG GLN A 5 -11.815 10.492 3.175 1.00 0.00 C ATOM 41 CD GLN A 5 -11.266 11.488 4.199 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.790 12.574 4.349 1.00 0.00 O ATOM 43 NE2 GLN A 5 -10.224 11.163 4.914 1.00 0.00 N ATOM 0 H GLN A 5 -12.379 10.829 0.414 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.671 8.905 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.204 11.918 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.876 10.960 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.836 9.489 3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.163 10.454 2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.784 10.252 4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.850 11.820 5.598 1.00 0.00 H new ATOM 44 N GLU A 6 -15.565 11.046 0.542 1.00 0.00 N ATOM 45 CA GLU A 6 -16.993 11.374 0.262 1.00 0.00 C ATOM 46 C GLU A 6 -17.693 10.145 -0.320 1.00 0.00 C ATOM 47 O GLU A 6 -18.677 9.670 0.210 1.00 0.00 O ATOM 48 CB GLU A 6 -17.067 12.526 -0.743 1.00 0.00 C ATOM 49 CG GLU A 6 -16.425 13.774 -0.135 1.00 0.00 C ATOM 50 CD GLU A 6 -16.505 14.928 -1.137 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.858 14.674 -2.276 1.00 0.00 O ATOM 52 OE2 GLU A 6 -16.214 16.046 -0.746 1.00 0.00 O ATOM 0 H GLU A 6 -14.886 11.513 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.485 11.669 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.554 12.252 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.106 12.729 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.935 14.045 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.385 13.573 0.122 1.00 0.00 H new ATOM 53 N MET A 7 -17.193 9.623 -1.405 1.00 0.00 N ATOM 54 CA MET A 7 -17.833 8.424 -2.015 1.00 0.00 C ATOM 55 C MET A 7 -18.151 7.402 -0.918 1.00 0.00 C ATOM 56 O MET A 7 -19.028 6.574 -1.065 1.00 0.00 O ATOM 57 CB MET A 7 -16.882 7.808 -3.043 1.00 0.00 C ATOM 58 CG MET A 7 -16.825 8.708 -4.281 1.00 0.00 C ATOM 59 SD MET A 7 -15.646 8.027 -5.474 1.00 0.00 S ATOM 60 CE MET A 7 -15.457 9.519 -6.482 1.00 0.00 C ATOM 0 H MET A 7 -16.370 9.974 -1.895 1.00 0.00 H new ATOM 0 HA MET A 7 -18.759 8.714 -2.512 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.886 7.697 -2.614 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.223 6.810 -3.320 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.814 8.783 -4.734 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.527 9.717 -3.996 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.758 9.323 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.424 9.803 -6.896 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.075 10.330 -5.863 1.00 0.00 H new ATOM 61 N CYS A 8 -17.446 7.454 0.180 1.00 0.00 N ATOM 62 CA CYS A 8 -17.709 6.488 1.284 1.00 0.00 C ATOM 63 C CYS A 8 -19.009 6.863 2.002 1.00 0.00 C ATOM 64 O CYS A 8 -19.714 6.012 2.508 1.00 0.00 O ATOM 65 CB CYS A 8 -16.545 6.528 2.276 1.00 0.00 C ATOM 66 SG CYS A 8 -16.843 5.357 3.623 1.00 0.00 S ATOM 0 H CYS A 8 -16.699 8.125 0.360 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.806 5.483 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.613 6.281 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.432 7.535 2.677 1.00 0.00 H new ATOM 67 N HIS A 9 -19.336 8.126 2.054 1.00 0.00 N ATOM 68 CA HIS A 9 -20.593 8.539 2.741 1.00 0.00 C ATOM 69 C HIS A 9 -21.772 7.769 2.139 1.00 0.00 C ATOM 70 O HIS A 9 -22.741 7.470 2.807 1.00 0.00 O ATOM 71 CB HIS A 9 -20.806 10.051 2.567 1.00 0.00 C ATOM 72 CG HIS A 9 -21.395 10.344 1.211 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.687 9.976 0.872 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.882 10.972 0.103 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.906 10.380 -0.393 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.837 10.993 -0.908 1.00 0.00 N ATOM 0 H HIS A 9 -18.789 8.887 1.652 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.521 8.314 3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.469 10.424 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.856 10.574 2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.888 11.387 0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.833 10.227 -0.926 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.741 11.391 -1.842 1.00 0.00 H new ATOM 77 N GLU A 10 -21.690 7.445 0.878 1.00 0.00 N ATOM 78 CA GLU A 10 -22.796 6.694 0.223 1.00 0.00 C ATOM 79 C GLU A 10 -22.830 5.262 0.762 1.00 0.00 C ATOM 80 O GLU A 10 -23.871 4.639 0.832 1.00 0.00 O ATOM 81 CB GLU A 10 -22.563 6.668 -1.289 1.00 0.00 C ATOM 82 CG GLU A 10 -23.707 5.915 -1.971 1.00 0.00 C ATOM 83 CD GLU A 10 -24.975 6.768 -1.928 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.849 7.978 -1.841 1.00 0.00 O ATOM 85 OE2 GLU A 10 -26.052 6.196 -1.985 1.00 0.00 O ATOM 0 H GLU A 10 -20.901 7.669 0.271 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.747 7.182 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.502 7.685 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.612 6.185 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.443 5.689 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.879 4.962 -1.470 1.00 0.00 H new ATOM 86 N PHE A 11 -21.699 4.733 1.144 1.00 0.00 N ATOM 87 CA PHE A 11 -21.671 3.342 1.678 1.00 0.00 C ATOM 88 C PHE A 11 -21.721 3.381 3.207 1.00 0.00 C ATOM 89 O PHE A 11 -21.709 2.358 3.863 1.00 0.00 O ATOM 90 CB PHE A 11 -20.379 2.647 1.234 1.00 0.00 C ATOM 91 CG PHE A 11 -20.631 1.808 0.003 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.827 1.091 -0.136 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.660 1.745 -1.003 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.049 0.317 -1.279 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.883 0.970 -2.144 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.078 0.258 -2.284 1.00 0.00 C ATOM 0 H PHE A 11 -20.795 5.204 1.109 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.531 2.792 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.611 3.392 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -20.001 2.018 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.577 1.136 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.737 2.296 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.971 -0.236 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.132 0.921 -2.918 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.251 -0.338 -3.168 1.00 0.00 H new ATOM 97 N GLN A 12 -21.771 4.551 3.782 1.00 0.00 N ATOM 98 CA GLN A 12 -21.815 4.650 5.268 1.00 0.00 C ATOM 99 C GLN A 12 -23.141 4.086 5.779 1.00 0.00 C ATOM 100 O GLN A 12 -23.197 3.446 6.811 1.00 0.00 O ATOM 101 CB GLN A 12 -21.688 6.116 5.683 1.00 0.00 C ATOM 102 CG GLN A 12 -20.222 6.544 5.600 1.00 0.00 C ATOM 103 CD GLN A 12 -20.070 7.955 6.171 1.00 0.00 C ATOM 104 OE1 GLN A 12 -21.038 8.566 6.578 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.886 8.502 6.219 1.00 0.00 N ATOM 0 H GLN A 12 -21.783 5.443 3.287 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.991 4.079 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -22.298 6.743 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -22.061 6.251 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.596 5.846 6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.883 6.521 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.073 7.989 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.774 9.442 6.598 1.00 0.00 H new ATOM 106 N ALA A 13 -24.211 4.315 5.068 1.00 0.00 N ATOM 107 CA ALA A 13 -25.529 3.789 5.520 1.00 0.00 C ATOM 108 C ALA A 13 -25.563 2.272 5.319 1.00 0.00 C ATOM 109 O ALA A 13 -26.319 1.569 5.957 1.00 0.00 O ATOM 110 CB ALA A 13 -26.647 4.438 4.701 1.00 0.00 C ATOM 0 H ALA A 13 -24.229 4.843 4.195 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.673 4.022 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.611 4.053 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.620 5.519 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.507 4.206 3.645 1.00 0.00 H new ATOM 111 N PHE A 14 -24.744 1.765 4.439 1.00 0.00 N ATOM 112 CA PHE A 14 -24.725 0.295 4.199 1.00 0.00 C ATOM 113 C PHE A 14 -23.668 -0.355 5.096 1.00 0.00 C ATOM 114 O PHE A 14 -23.481 -1.556 5.079 1.00 0.00 O ATOM 115 CB PHE A 14 -24.387 0.023 2.732 1.00 0.00 C ATOM 116 CG PHE A 14 -25.515 0.512 1.855 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.663 -0.272 1.688 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.414 1.752 1.210 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.708 0.181 0.874 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.460 2.204 0.396 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.607 1.420 0.228 1.00 0.00 C ATOM 0 H PHE A 14 -24.087 2.305 3.876 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.704 -0.124 4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.459 0.526 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.228 -1.044 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.742 -1.226 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.530 2.359 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.592 -0.425 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.381 3.159 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.414 1.770 -0.399 1.00 0.00 H new ATOM 122 N MET A 15 -22.976 0.425 5.882 1.00 0.00 N ATOM 123 CA MET A 15 -21.935 -0.152 6.779 1.00 0.00 C ATOM 124 C MET A 15 -22.606 -0.743 8.020 1.00 0.00 C ATOM 125 O MET A 15 -23.449 -0.121 8.637 1.00 0.00 O ATOM 126 CB MET A 15 -20.963 0.950 7.203 1.00 0.00 C ATOM 127 CG MET A 15 -19.651 0.327 7.692 1.00 0.00 C ATOM 128 SD MET A 15 -19.925 -0.506 9.276 1.00 0.00 S ATOM 129 CE MET A 15 -20.360 0.967 10.234 1.00 0.00 C ATOM 0 H MET A 15 -23.087 1.437 5.941 1.00 0.00 H new ATOM 0 HA MET A 15 -21.391 -0.935 6.251 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.768 1.618 6.364 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.407 1.554 7.995 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.278 -0.385 6.955 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.890 1.099 7.803 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.998 0.856 11.256 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.901 1.845 9.780 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.443 1.088 10.244 1.00 0.00 H new ATOM 130 N LYS A 16 -22.239 -1.938 8.390 1.00 0.00 N ATOM 131 CA LYS A 16 -22.857 -2.564 9.594 1.00 0.00 C ATOM 132 C LYS A 16 -21.786 -3.305 10.397 1.00 0.00 C ATOM 133 O LYS A 16 -20.868 -3.878 9.846 1.00 0.00 O ATOM 134 CB LYS A 16 -23.940 -3.551 9.159 1.00 0.00 C ATOM 135 CG LYS A 16 -24.784 -3.942 10.374 1.00 0.00 C ATOM 136 CD LYS A 16 -25.847 -4.956 9.953 1.00 0.00 C ATOM 137 CE LYS A 16 -26.651 -5.385 11.181 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.705 -6.356 10.772 1.00 0.00 N ATOM 0 H LYS A 16 -21.540 -2.508 7.913 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.301 -1.786 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.571 -3.102 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -23.485 -4.437 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -24.148 -4.368 11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.258 -3.058 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.509 -4.517 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -25.376 -5.824 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -25.991 -5.839 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.107 -4.514 11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.252 -6.647 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -28.341 -5.908 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.259 -7.191 10.341 1.00 0.00 H new ATOM 139 N ASN A 17 -21.896 -3.300 11.699 1.00 0.00 N ATOM 140 CA ASN A 17 -20.883 -4.003 12.536 1.00 0.00 C ATOM 141 C ASN A 17 -19.481 -3.592 12.083 1.00 0.00 C ATOM 142 O ASN A 17 -18.540 -4.355 12.171 1.00 0.00 O ATOM 143 CB ASN A 17 -21.046 -5.517 12.377 1.00 0.00 C ATOM 144 CG ASN A 17 -22.434 -5.939 12.861 1.00 0.00 C ATOM 145 OD1 ASN A 17 -22.887 -5.503 13.901 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.135 -6.777 12.147 1.00 0.00 N ATOM 0 H ASN A 17 -22.644 -2.839 12.218 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.025 -3.733 13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.913 -5.799 11.333 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.277 -6.037 12.948 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.061 -7.065 12.462 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.756 -7.144 11.274 1.00 0.00 H new ATOM 147 N GLY A 18 -19.336 -2.391 11.592 1.00 0.00 N ATOM 148 CA GLY A 18 -17.997 -1.931 11.127 1.00 0.00 C ATOM 149 C GLY A 18 -17.669 -2.616 9.801 1.00 0.00 C ATOM 150 O GLY A 18 -16.528 -2.681 9.386 1.00 0.00 O ATOM 0 H GLY A 18 -20.088 -1.709 11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.993 -0.848 11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.238 -2.169 11.872 1.00 0.00 H new ATOM 151 N LYS A 19 -18.665 -3.129 9.135 1.00 0.00 N ATOM 152 CA LYS A 19 -18.426 -3.813 7.836 1.00 0.00 C ATOM 153 C LYS A 19 -19.189 -3.081 6.732 1.00 0.00 C ATOM 154 O LYS A 19 -20.249 -2.532 6.958 1.00 0.00 O ATOM 155 CB LYS A 19 -18.922 -5.257 7.927 1.00 0.00 C ATOM 156 CG LYS A 19 -18.364 -6.063 6.752 1.00 0.00 C ATOM 157 CD LYS A 19 -19.507 -6.788 6.038 1.00 0.00 C ATOM 158 CE LYS A 19 -18.931 -7.863 5.115 1.00 0.00 C ATOM 159 NZ LYS A 19 -18.371 -8.975 5.934 1.00 0.00 N ATOM 0 H LYS A 19 -19.639 -3.103 9.437 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.360 -3.807 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.606 -5.703 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.012 -5.280 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.849 -5.401 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.629 -6.784 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.177 -7.242 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.099 -6.077 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.708 -8.242 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.153 -7.435 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.356 -9.848 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.402 -8.736 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.963 -9.118 6.777 1.00 0.00 H new ATOM 160 N LEU A 20 -18.660 -3.064 5.541 1.00 0.00 N ATOM 161 CA LEU A 20 -19.356 -2.363 4.426 1.00 0.00 C ATOM 162 C LEU A 20 -20.213 -3.360 3.645 1.00 0.00 C ATOM 163 O LEU A 20 -19.711 -4.174 2.896 1.00 0.00 O ATOM 164 CB LEU A 20 -18.317 -1.746 3.485 1.00 0.00 C ATOM 165 CG LEU A 20 -18.839 -0.414 2.932 1.00 0.00 C ATOM 166 CD1 LEU A 20 -18.002 -0.011 1.716 1.00 0.00 C ATOM 167 CD2 LEU A 20 -20.302 -0.562 2.509 1.00 0.00 C ATOM 0 H LEU A 20 -17.775 -3.505 5.291 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.993 -1.579 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.380 -1.586 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.104 -2.432 2.665 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.764 0.350 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -18.369 0.935 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.959 0.100 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.081 -0.781 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -20.665 0.388 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -20.382 -1.327 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -20.902 -0.853 3.371 1.00 0.00 H new ATOM 168 N PHE A 21 -21.508 -3.298 3.805 1.00 0.00 N ATOM 169 CA PHE A 21 -22.394 -4.237 3.062 1.00 0.00 C ATOM 170 C PHE A 21 -22.805 -3.590 1.739 1.00 0.00 C ATOM 171 O PHE A 21 -23.974 -3.423 1.454 1.00 0.00 O ATOM 172 CB PHE A 21 -23.639 -4.534 3.901 1.00 0.00 C ATOM 173 CG PHE A 21 -23.278 -5.497 5.007 1.00 0.00 C ATOM 174 CD1 PHE A 21 -22.760 -5.012 6.213 1.00 0.00 C ATOM 175 CD2 PHE A 21 -23.458 -6.873 4.824 1.00 0.00 C ATOM 176 CE1 PHE A 21 -22.424 -5.904 7.239 1.00 0.00 C ATOM 177 CE2 PHE A 21 -23.120 -7.765 5.849 1.00 0.00 C ATOM 178 CZ PHE A 21 -22.603 -7.281 7.057 1.00 0.00 C ATOM 0 H PHE A 21 -21.989 -2.639 4.417 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.865 -5.169 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.036 -3.611 4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.421 -4.960 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -22.619 -3.950 6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -23.857 -7.246 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -22.027 -5.530 8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -23.258 -8.827 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 21 -22.343 -7.969 7.848 1.00 0.00 H new ATOM 179 N CYS A 22 -21.849 -3.214 0.932 1.00 0.00 N ATOM 180 CA CYS A 22 -22.181 -2.567 -0.367 1.00 0.00 C ATOM 181 C CYS A 22 -23.099 -3.477 -1.185 1.00 0.00 C ATOM 182 O CYS A 22 -22.678 -4.484 -1.718 1.00 0.00 O ATOM 183 CB CYS A 22 -20.894 -2.297 -1.151 1.00 0.00 C ATOM 184 SG CYS A 22 -19.794 -3.730 -1.033 1.00 0.00 S ATOM 0 H CYS A 22 -20.853 -3.328 1.118 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.693 -1.624 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.129 -2.092 -2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.396 -1.411 -0.757 1.00 0.00 H new ATOM 185 N PRO A 23 -24.383 -3.101 -1.287 1.00 0.00 N ATOM 186 CA PRO A 23 -25.377 -3.858 -2.035 1.00 0.00 C ATOM 187 C PRO A 23 -25.453 -3.403 -3.496 1.00 0.00 C ATOM 188 O PRO A 23 -24.966 -4.066 -4.390 1.00 0.00 O ATOM 189 CB PRO A 23 -26.680 -3.519 -1.316 1.00 0.00 C ATOM 190 CG PRO A 23 -26.453 -2.180 -0.673 1.00 0.00 C ATOM 191 CD PRO A 23 -24.968 -1.902 -0.673 1.00 0.00 C ATOM 0 HA PRO A 23 -25.151 -4.924 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.515 -3.481 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.924 -4.275 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.986 -1.401 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.840 -2.177 0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.730 -1.004 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.591 -1.746 0.338 1.00 0.00 H new ATOM 192 N GLN A 24 -26.060 -2.274 -3.741 1.00 0.00 N ATOM 193 CA GLN A 24 -26.169 -1.769 -5.138 1.00 0.00 C ATOM 194 C GLN A 24 -25.809 -0.283 -5.168 1.00 0.00 C ATOM 195 O GLN A 24 -26.163 0.469 -4.282 1.00 0.00 O ATOM 196 CB GLN A 24 -27.602 -1.956 -5.639 1.00 0.00 C ATOM 197 CG GLN A 24 -27.893 -3.447 -5.814 1.00 0.00 C ATOM 198 CD GLN A 24 -29.310 -3.630 -6.360 1.00 0.00 C ATOM 199 OE1 GLN A 24 -30.094 -2.702 -6.372 1.00 0.00 O ATOM 200 NE2 GLN A 24 -29.674 -4.797 -6.818 1.00 0.00 N ATOM 0 H GLN A 24 -26.486 -1.678 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.486 -2.324 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -28.306 -1.518 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -27.738 -1.435 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -27.169 -3.892 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -27.790 -3.963 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -29.016 -5.577 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -30.616 -4.929 -7.186 1.00 0.00 H new ATOM 201 N ASP A 25 -25.104 0.148 -6.178 1.00 0.00 N ATOM 202 CA ASP A 25 -24.721 1.586 -6.258 1.00 0.00 C ATOM 203 C ASP A 25 -25.795 2.361 -7.025 1.00 0.00 C ATOM 204 O ASP A 25 -25.902 2.262 -8.232 1.00 0.00 O ATOM 205 CB ASP A 25 -23.381 1.717 -6.985 1.00 0.00 C ATOM 206 CG ASP A 25 -22.919 3.174 -6.944 1.00 0.00 C ATOM 207 OD1 ASP A 25 -23.593 3.971 -6.312 1.00 0.00 O ATOM 208 OD2 ASP A 25 -21.899 3.470 -7.545 1.00 0.00 O ATOM 0 H ASP A 25 -24.777 -0.433 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 25 -24.630 1.993 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.636 1.075 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.482 1.385 -8.018 1.00 0.00 H new ATOM 209 N LYS A 26 -26.588 3.135 -6.337 1.00 0.00 N ATOM 210 CA LYS A 26 -27.650 3.918 -7.031 1.00 0.00 C ATOM 211 C LYS A 26 -27.009 4.805 -8.099 1.00 0.00 C ATOM 212 O LYS A 26 -27.561 5.016 -9.160 1.00 0.00 O ATOM 213 CB LYS A 26 -28.387 4.794 -6.016 1.00 0.00 C ATOM 214 CG LYS A 26 -29.071 3.906 -4.975 1.00 0.00 C ATOM 215 CD LYS A 26 -29.845 4.781 -3.987 1.00 0.00 C ATOM 216 CE LYS A 26 -30.443 3.902 -2.887 1.00 0.00 C ATOM 217 NZ LYS A 26 -29.818 4.248 -1.580 1.00 0.00 N ATOM 0 H LYS A 26 -26.547 3.259 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.358 3.235 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -27.686 5.471 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.127 5.413 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.748 3.207 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.328 3.310 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -29.182 5.528 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -30.637 5.321 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -31.522 4.048 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -30.274 2.850 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -30.224 3.651 -0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.792 4.087 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -30.001 5.248 -1.362 1.00 0.00 H new ATOM 218 N LYS A 27 -25.845 5.323 -7.824 1.00 0.00 N ATOM 219 CA LYS A 27 -25.161 6.195 -8.819 1.00 0.00 C ATOM 220 C LYS A 27 -23.762 5.640 -9.098 1.00 0.00 C ATOM 221 O LYS A 27 -22.850 5.808 -8.313 1.00 0.00 O ATOM 222 CB LYS A 27 -25.048 7.615 -8.259 1.00 0.00 C ATOM 223 CG LYS A 27 -24.116 8.443 -9.145 1.00 0.00 C ATOM 224 CD LYS A 27 -23.933 9.833 -8.532 1.00 0.00 C ATOM 225 CE LYS A 27 -22.477 10.273 -8.693 1.00 0.00 C ATOM 226 NZ LYS A 27 -22.369 11.217 -9.842 1.00 0.00 N ATOM 0 H LYS A 27 -25.337 5.180 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.736 6.217 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.033 8.079 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.665 7.585 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -23.151 7.946 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.532 8.528 -10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.596 10.548 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.204 9.815 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -22.128 10.754 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -21.840 9.405 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -21.379 11.517 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -22.687 10.743 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -22.966 12.050 -9.664 1.00 0.00 H new ATOM 227 N PRO A 28 -23.599 4.960 -10.241 1.00 0.00 N ATOM 228 CA PRO A 28 -22.316 4.366 -10.638 1.00 0.00 C ATOM 229 C PRO A 28 -21.271 5.432 -10.982 1.00 0.00 C ATOM 230 O PRO A 28 -21.502 6.304 -11.795 1.00 0.00 O ATOM 231 CB PRO A 28 -22.667 3.553 -11.884 1.00 0.00 C ATOM 232 CG PRO A 28 -23.888 4.213 -12.430 1.00 0.00 C ATOM 233 CD PRO A 28 -24.655 4.718 -11.241 1.00 0.00 C ATOM 0 HA PRO A 28 -21.877 3.773 -9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.852 3.565 -12.608 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.858 2.509 -11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.623 5.032 -13.099 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.486 3.509 -13.009 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.206 5.629 -11.474 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.383 3.986 -10.890 1.00 0.00 H new ATOM 234 N ILE A 29 -20.122 5.363 -10.366 1.00 0.00 N ATOM 235 CA ILE A 29 -19.057 6.365 -10.652 1.00 0.00 C ATOM 236 C ILE A 29 -17.763 5.635 -11.019 1.00 0.00 C ATOM 237 O ILE A 29 -17.480 4.565 -10.515 1.00 0.00 O ATOM 238 CB ILE A 29 -18.829 7.228 -9.406 1.00 0.00 C ATOM 239 CG1 ILE A 29 -17.975 8.446 -9.770 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.121 6.399 -8.327 1.00 0.00 C ATOM 241 CD1 ILE A 29 -16.524 8.020 -10.014 1.00 0.00 C ATOM 0 H ILE A 29 -19.875 4.654 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.361 7.002 -11.483 1.00 0.00 H new ATOM 0 HB ILE A 29 -19.791 7.569 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.376 8.927 -10.662 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.016 9.181 -8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.960 7.015 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -18.739 5.540 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.160 6.052 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.927 8.894 -10.272 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.123 7.560 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.489 7.302 -10.833 1.00 0.00 H new ATOM 242 N GLN A 30 -16.965 6.201 -11.880 1.00 0.00 N ATOM 243 CA GLN A 30 -15.697 5.521 -12.258 1.00 0.00 C ATOM 244 C GLN A 30 -14.671 5.771 -11.158 1.00 0.00 C ATOM 245 O GLN A 30 -14.283 6.892 -10.890 1.00 0.00 O ATOM 246 CB GLN A 30 -15.182 6.091 -13.582 1.00 0.00 C ATOM 247 CG GLN A 30 -16.188 5.787 -14.696 1.00 0.00 C ATOM 248 CD GLN A 30 -15.666 6.347 -16.022 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.835 7.233 -16.035 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.123 5.864 -17.145 1.00 0.00 N ATOM 0 H GLN A 30 -17.134 7.098 -12.335 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.866 4.451 -12.377 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.035 7.167 -13.494 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.212 5.656 -13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.341 4.711 -14.779 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.155 6.229 -14.458 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.821 5.120 -17.134 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.782 6.230 -18.034 1.00 0.00 H new ATOM 251 N SER A 31 -14.252 4.728 -10.497 1.00 0.00 N ATOM 252 CA SER A 31 -13.276 4.886 -9.385 1.00 0.00 C ATOM 253 C SER A 31 -11.859 5.040 -9.938 1.00 0.00 C ATOM 254 O SER A 31 -11.615 4.873 -11.116 1.00 0.00 O ATOM 255 CB SER A 31 -13.343 3.648 -8.491 1.00 0.00 C ATOM 256 OG SER A 31 -12.349 2.717 -8.897 1.00 0.00 O ATOM 0 H SER A 31 -14.546 3.769 -10.681 1.00 0.00 H new ATOM 0 HA SER A 31 -13.525 5.779 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.189 3.930 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.331 3.193 -8.555 1.00 0.00 H new ATOM 0 HG SER A 31 -12.617 2.300 -9.743 1.00 0.00 H new ATOM 257 N LEU A 32 -10.926 5.368 -9.087 1.00 0.00 N ATOM 258 CA LEU A 32 -9.518 5.548 -9.542 1.00 0.00 C ATOM 259 C LEU A 32 -8.649 4.421 -8.980 1.00 0.00 C ATOM 260 O LEU A 32 -7.463 4.352 -9.238 1.00 0.00 O ATOM 261 CB LEU A 32 -8.987 6.898 -9.045 1.00 0.00 C ATOM 262 CG LEU A 32 -9.703 7.291 -7.747 1.00 0.00 C ATOM 263 CD1 LEU A 32 -9.394 6.263 -6.656 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.222 8.668 -7.290 1.00 0.00 C ATOM 0 H LEU A 32 -11.079 5.520 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.485 5.523 -10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.912 6.836 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.145 7.664 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.778 7.321 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.904 6.545 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.739 5.279 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.319 6.231 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.733 8.944 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.147 8.638 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.443 9.405 -8.062 1.00 0.00 H new ATOM 265 N ASP A 33 -9.225 3.536 -8.213 1.00 0.00 N ATOM 266 CA ASP A 33 -8.428 2.416 -7.638 1.00 0.00 C ATOM 267 C ASP A 33 -8.297 1.300 -8.676 1.00 0.00 C ATOM 268 O ASP A 33 -7.820 0.221 -8.385 1.00 0.00 O ATOM 269 CB ASP A 33 -9.134 1.875 -6.394 1.00 0.00 C ATOM 270 CG ASP A 33 -8.913 2.834 -5.223 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.148 3.770 -5.386 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.512 2.616 -4.183 1.00 0.00 O ATOM 0 H ASP A 33 -10.213 3.540 -7.960 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.436 2.777 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.200 1.762 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.749 0.886 -6.146 1.00 0.00 H new ATOM 273 N GLY A 34 -8.721 1.548 -9.886 1.00 0.00 N ATOM 274 CA GLY A 34 -8.626 0.498 -10.937 1.00 0.00 C ATOM 275 C GLY A 34 -9.903 -0.346 -10.926 1.00 0.00 C ATOM 276 O GLY A 34 -10.029 -1.310 -11.655 1.00 0.00 O ATOM 0 H GLY A 34 -9.129 2.432 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.489 0.958 -11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.757 -0.135 -10.758 1.00 0.00 H new ATOM 277 N ILE A 35 -10.852 0.011 -10.103 1.00 0.00 N ATOM 278 CA ILE A 35 -12.119 -0.769 -10.042 1.00 0.00 C ATOM 279 C ILE A 35 -13.229 0.008 -10.753 1.00 0.00 C ATOM 280 O ILE A 35 -13.102 1.187 -11.021 1.00 0.00 O ATOM 281 CB ILE A 35 -12.509 -0.990 -8.580 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.366 -1.693 -7.845 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.769 -1.854 -8.513 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.622 -1.639 -6.337 1.00 0.00 C ATOM 0 H ILE A 35 -10.803 0.810 -9.470 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.978 -1.733 -10.531 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.704 -0.027 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.289 -2.729 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.417 -1.212 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.047 -2.012 -7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.584 -1.351 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.576 -2.817 -8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.809 -2.139 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.677 -0.599 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.563 -2.140 -6.110 1.00 0.00 H new ATOM 285 N MET A 36 -14.317 -0.642 -11.062 1.00 0.00 N ATOM 286 CA MET A 36 -15.431 0.062 -11.756 1.00 0.00 C ATOM 287 C MET A 36 -16.554 0.357 -10.758 1.00 0.00 C ATOM 288 O MET A 36 -17.338 -0.506 -10.427 1.00 0.00 O ATOM 289 CB MET A 36 -15.966 -0.820 -12.884 1.00 0.00 C ATOM 290 CG MET A 36 -14.897 -0.965 -13.970 1.00 0.00 C ATOM 291 SD MET A 36 -15.602 -1.821 -15.401 1.00 0.00 S ATOM 292 CE MET A 36 -16.092 -3.335 -14.542 1.00 0.00 C ATOM 0 H MET A 36 -14.482 -1.629 -10.864 1.00 0.00 H new ATOM 0 HA MET A 36 -15.064 1.000 -12.172 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.239 -1.801 -12.495 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.870 -0.381 -13.305 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.528 0.017 -14.266 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.044 -1.523 -13.583 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.136 -4.159 -15.254 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.363 -3.565 -13.765 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.073 -3.195 -14.088 1.00 0.00 H new ATOM 293 N PHE A 37 -16.631 1.574 -10.282 1.00 0.00 N ATOM 294 CA PHE A 37 -17.696 1.955 -9.301 1.00 0.00 C ATOM 295 C PHE A 37 -17.536 1.162 -8.000 1.00 0.00 C ATOM 296 O PHE A 37 -17.365 1.721 -6.935 1.00 0.00 O ATOM 297 CB PHE A 37 -19.089 1.675 -9.878 1.00 0.00 C ATOM 298 CG PHE A 37 -19.055 1.683 -11.389 1.00 0.00 C ATOM 299 CD1 PHE A 37 -19.053 2.898 -12.080 1.00 0.00 C ATOM 300 CD2 PHE A 37 -19.030 0.478 -12.098 1.00 0.00 C ATOM 301 CE1 PHE A 37 -19.020 2.913 -13.476 1.00 0.00 C ATOM 302 CE2 PHE A 37 -18.996 0.490 -13.496 1.00 0.00 C ATOM 303 CZ PHE A 37 -18.990 1.708 -14.187 1.00 0.00 C ATOM 0 H PHE A 37 -15.994 2.330 -10.534 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.593 3.021 -9.098 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.447 0.709 -9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.793 2.427 -9.522 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.077 3.829 -11.532 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -19.037 -0.462 -11.566 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -19.018 3.854 -14.006 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -18.974 -0.441 -14.043 1.00 0.00 H new ATOM 0 HZ PHE A 37 -18.962 1.717 -15.267 1.00 0.00 H new ATOM 304 N ILE A 38 -17.614 -0.134 -8.081 1.00 0.00 N ATOM 305 CA ILE A 38 -17.492 -0.984 -6.859 1.00 0.00 C ATOM 306 C ILE A 38 -16.409 -0.435 -5.927 1.00 0.00 C ATOM 307 O ILE A 38 -16.454 -0.636 -4.730 1.00 0.00 O ATOM 308 CB ILE A 38 -17.127 -2.411 -7.272 1.00 0.00 C ATOM 309 CG1 ILE A 38 -18.240 -2.994 -8.146 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.959 -3.276 -6.021 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.834 -4.389 -8.626 1.00 0.00 C ATOM 0 H ILE A 38 -17.759 -0.650 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.445 -0.978 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.194 -2.396 -7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -19.170 -3.049 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.425 -2.343 -9.001 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -16.699 -4.293 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -16.166 -2.864 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.893 -3.288 -5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.626 -4.805 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.914 -4.320 -9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.672 -5.037 -7.765 1.00 0.00 H new ATOM 312 N ASN A 39 -15.433 0.250 -6.456 1.00 0.00 N ATOM 313 CA ASN A 39 -14.355 0.796 -5.583 1.00 0.00 C ATOM 314 C ASN A 39 -14.970 1.417 -4.328 1.00 0.00 C ATOM 315 O ASN A 39 -14.485 1.222 -3.232 1.00 0.00 O ATOM 316 CB ASN A 39 -13.571 1.869 -6.337 1.00 0.00 C ATOM 317 CG ASN A 39 -12.279 2.181 -5.574 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.595 1.282 -5.128 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.919 3.424 -5.400 1.00 0.00 N ATOM 0 H ASN A 39 -15.335 0.455 -7.450 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.685 -0.016 -5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.338 1.525 -7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.174 2.772 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.063 3.640 -4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.494 4.179 -5.775 1.00 0.00 H new ATOM 320 N LYS A 40 -16.027 2.167 -4.479 1.00 0.00 N ATOM 321 CA LYS A 40 -16.662 2.807 -3.291 1.00 0.00 C ATOM 322 C LYS A 40 -16.741 1.799 -2.146 1.00 0.00 C ATOM 323 O LYS A 40 -16.550 2.138 -0.994 1.00 0.00 O ATOM 324 CB LYS A 40 -18.071 3.284 -3.651 1.00 0.00 C ATOM 325 CG LYS A 40 -17.986 4.520 -4.550 1.00 0.00 C ATOM 326 CD LYS A 40 -19.309 5.288 -4.485 1.00 0.00 C ATOM 327 CE LYS A 40 -19.315 6.392 -5.545 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.356 7.404 -5.204 1.00 0.00 N ATOM 0 H LYS A 40 -16.478 2.364 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.061 3.662 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.615 2.489 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.628 3.520 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.165 5.161 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.776 4.222 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.144 4.608 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.441 5.721 -3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.335 6.866 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.515 5.966 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.360 8.154 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.289 6.946 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.146 7.819 -4.274 1.00 0.00 H new ATOM 329 N CYS A 41 -17.020 0.566 -2.450 1.00 0.00 N ATOM 330 CA CYS A 41 -17.108 -0.461 -1.376 1.00 0.00 C ATOM 331 C CYS A 41 -15.710 -0.729 -0.823 1.00 0.00 C ATOM 332 O CYS A 41 -15.447 -0.559 0.351 1.00 0.00 O ATOM 333 CB CYS A 41 -17.676 -1.759 -1.952 1.00 0.00 C ATOM 334 SG CYS A 41 -17.985 -2.932 -0.607 1.00 0.00 S ATOM 0 H CYS A 41 -17.191 0.223 -3.395 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.760 -0.100 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.601 -1.556 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.976 -2.188 -2.669 1.00 0.00 H new ATOM 335 N ALA A 42 -14.813 -1.153 -1.667 1.00 0.00 N ATOM 336 CA ALA A 42 -13.427 -1.443 -1.205 1.00 0.00 C ATOM 337 C ALA A 42 -12.787 -0.172 -0.640 1.00 0.00 C ATOM 338 O ALA A 42 -11.875 -0.236 0.162 1.00 0.00 O ATOM 339 CB ALA A 42 -12.594 -1.947 -2.384 1.00 0.00 C ATOM 0 H ALA A 42 -14.980 -1.312 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.462 -2.204 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.579 -2.160 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.042 -2.857 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.566 -1.184 -3.162 1.00 0.00 H new ATOM 340 N THR A 43 -13.245 0.983 -1.046 1.00 0.00 N ATOM 341 CA THR A 43 -12.642 2.237 -0.518 1.00 0.00 C ATOM 342 C THR A 43 -13.412 2.690 0.724 1.00 0.00 C ATOM 343 O THR A 43 -12.848 2.867 1.785 1.00 0.00 O ATOM 344 CB THR A 43 -12.707 3.332 -1.588 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.954 3.256 -2.268 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.556 3.141 -2.581 1.00 0.00 C ATOM 0 H THR A 43 -14.004 1.110 -1.715 1.00 0.00 H new ATOM 0 HA THR A 43 -11.601 2.053 -0.254 1.00 0.00 H new ATOM 0 HB THR A 43 -12.616 4.311 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.925 2.529 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.600 3.919 -3.343 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.605 3.205 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.643 2.163 -3.055 1.00 0.00 H new ATOM 347 N CYS A 44 -14.696 2.879 0.601 1.00 0.00 N ATOM 348 CA CYS A 44 -15.499 3.322 1.774 1.00 0.00 C ATOM 349 C CYS A 44 -15.195 2.421 2.972 1.00 0.00 C ATOM 350 O CYS A 44 -15.116 2.875 4.096 1.00 0.00 O ATOM 351 CB CYS A 44 -16.989 3.235 1.434 1.00 0.00 C ATOM 352 SG CYS A 44 -17.979 3.900 2.801 1.00 0.00 S ATOM 0 H CYS A 44 -15.224 2.746 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 44 -15.242 4.352 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -17.195 3.793 0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.267 2.198 1.244 1.00 0.00 H new ATOM 353 N LYS A 45 -15.025 1.147 2.746 1.00 0.00 N ATOM 354 CA LYS A 45 -14.728 0.227 3.880 1.00 0.00 C ATOM 355 C LYS A 45 -13.460 0.701 4.593 1.00 0.00 C ATOM 356 O LYS A 45 -13.429 0.838 5.799 1.00 0.00 O ATOM 357 CB LYS A 45 -14.520 -1.193 3.352 1.00 0.00 C ATOM 358 CG LYS A 45 -14.468 -2.170 4.529 1.00 0.00 C ATOM 359 CD LYS A 45 -14.223 -3.587 4.007 1.00 0.00 C ATOM 360 CE LYS A 45 -14.160 -4.561 5.186 1.00 0.00 C ATOM 361 NZ LYS A 45 -15.461 -5.278 5.307 1.00 0.00 N ATOM 0 H LYS A 45 -15.079 0.705 1.828 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.564 0.229 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.331 -1.464 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.595 -1.248 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.674 -1.883 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.404 -2.134 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.021 -3.877 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.291 -3.622 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.351 -5.276 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.943 -4.020 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.672 -5.448 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.217 -4.699 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.404 -6.188 4.807 1.00 0.00 H new ATOM 362 N MET A 46 -12.414 0.955 3.855 1.00 0.00 N ATOM 363 CA MET A 46 -11.151 1.423 4.490 1.00 0.00 C ATOM 364 C MET A 46 -11.374 2.807 5.103 1.00 0.00 C ATOM 365 O MET A 46 -10.810 3.143 6.124 1.00 0.00 O ATOM 366 CB MET A 46 -10.050 1.507 3.431 1.00 0.00 C ATOM 367 CG MET A 46 -9.715 0.100 2.932 1.00 0.00 C ATOM 368 SD MET A 46 -8.279 0.177 1.833 1.00 0.00 S ATOM 369 CE MET A 46 -8.955 1.377 0.659 1.00 0.00 C ATOM 0 H MET A 46 -12.380 0.858 2.840 1.00 0.00 H new ATOM 0 HA MET A 46 -10.853 0.722 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.377 2.131 2.599 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.161 1.977 3.852 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.506 -0.557 3.776 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.569 -0.323 2.403 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.615 1.133 -0.347 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.044 1.345 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.614 2.378 0.924 1.00 0.00 H new ATOM 370 N ILE A 47 -12.196 3.613 4.485 1.00 0.00 N ATOM 371 CA ILE A 47 -12.456 4.973 5.032 1.00 0.00 C ATOM 372 C ILE A 47 -13.325 4.858 6.287 1.00 0.00 C ATOM 373 O ILE A 47 -13.221 5.653 7.200 1.00 0.00 O ATOM 374 CB ILE A 47 -13.183 5.816 3.981 1.00 0.00 C ATOM 375 CG1 ILE A 47 -12.361 5.842 2.691 1.00 0.00 C ATOM 376 CG2 ILE A 47 -13.356 7.244 4.501 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.915 6.223 3.016 1.00 0.00 C ATOM 0 H ILE A 47 -12.697 3.387 3.626 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.510 5.450 5.287 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.162 5.380 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.391 4.865 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.788 6.558 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.874 7.844 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.941 7.228 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.377 7.679 4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.328 6.242 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.894 7.209 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.491 5.490 3.702 1.00 0.00 H new ATOM 378 N LEU A 48 -14.180 3.873 6.340 1.00 0.00 N ATOM 379 CA LEU A 48 -15.052 3.707 7.537 1.00 0.00 C ATOM 380 C LEU A 48 -14.205 3.227 8.718 1.00 0.00 C ATOM 381 O LEU A 48 -14.486 3.530 9.860 1.00 0.00 O ATOM 382 CB LEU A 48 -16.140 2.672 7.239 1.00 0.00 C ATOM 383 CG LEU A 48 -17.150 3.263 6.253 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.203 2.211 5.906 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.832 4.476 6.887 1.00 0.00 C ATOM 0 H LEU A 48 -14.312 3.177 5.607 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.517 4.662 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.694 1.769 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.643 2.382 8.161 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.631 3.570 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.922 2.633 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.718 1.346 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.721 1.902 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.551 4.897 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.349 4.169 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.082 5.228 7.133 1.00 0.00 H new ATOM 386 N GLU A 49 -13.168 2.480 8.450 1.00 0.00 N ATOM 387 CA GLU A 49 -12.304 1.982 9.556 1.00 0.00 C ATOM 388 C GLU A 49 -11.598 3.163 10.223 1.00 0.00 C ATOM 389 O GLU A 49 -11.358 3.163 11.415 1.00 0.00 O ATOM 390 CB GLU A 49 -11.260 1.017 8.990 1.00 0.00 C ATOM 391 CG GLU A 49 -11.957 -0.246 8.480 1.00 0.00 C ATOM 392 CD GLU A 49 -10.913 -1.215 7.922 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.759 -0.829 7.839 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.286 -2.327 7.585 1.00 0.00 O ATOM 0 H GLU A 49 -12.883 2.194 7.513 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.918 1.464 10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.710 1.494 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.533 0.758 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.512 -0.720 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.680 0.012 7.706 1.00 0.00 H new ATOM 395 N LYS A 50 -11.262 4.171 9.466 1.00 0.00 N ATOM 396 CA LYS A 50 -10.573 5.352 10.058 1.00 0.00 C ATOM 397 C LYS A 50 -11.416 5.913 11.204 1.00 0.00 C ATOM 398 O LYS A 50 -10.896 6.378 12.199 1.00 0.00 O ATOM 399 CB LYS A 50 -10.392 6.427 8.985 1.00 0.00 C ATOM 400 CG LYS A 50 -9.572 7.585 9.558 1.00 0.00 C ATOM 401 CD LYS A 50 -9.441 8.686 8.505 1.00 0.00 C ATOM 402 CE LYS A 50 -8.482 9.765 9.014 1.00 0.00 C ATOM 403 NZ LYS A 50 -7.213 9.708 8.235 1.00 0.00 N ATOM 0 H LYS A 50 -11.435 4.228 8.462 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.597 5.050 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.889 6.006 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.364 6.787 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.054 7.978 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.585 7.233 9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.071 8.267 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.418 9.122 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.939 10.750 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.278 9.615 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.561 10.441 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.775 8.772 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.416 9.872 7.228 1.00 0.00 H new ATOM 404 N GLU A 51 -12.714 5.872 11.074 1.00 0.00 N ATOM 405 CA GLU A 51 -13.587 6.404 12.156 1.00 0.00 C ATOM 406 C GLU A 51 -13.360 5.597 13.436 1.00 0.00 C ATOM 407 O GLU A 51 -13.442 6.116 14.533 1.00 0.00 O ATOM 408 CB GLU A 51 -15.053 6.286 11.734 1.00 0.00 C ATOM 409 CG GLU A 51 -15.303 7.171 10.510 1.00 0.00 C ATOM 410 CD GLU A 51 -15.031 8.632 10.872 1.00 0.00 C ATOM 411 OE1 GLU A 51 -14.972 8.928 12.055 1.00 0.00 O ATOM 412 OE2 GLU A 51 -14.885 9.431 9.962 1.00 0.00 O ATOM 0 H GLU A 51 -13.207 5.493 10.265 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.344 7.451 12.337 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.294 5.249 11.502 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.704 6.588 12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.658 6.863 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.332 7.055 10.169 1.00 0.00 H new ATOM 413 N ALA A 52 -13.075 4.330 13.307 1.00 0.00 N ATOM 414 CA ALA A 52 -12.843 3.491 14.516 1.00 0.00 C ATOM 415 C ALA A 52 -11.617 4.009 15.271 1.00 0.00 C ATOM 416 O ALA A 52 -11.506 3.861 16.471 1.00 0.00 O ATOM 417 CB ALA A 52 -12.606 2.040 14.093 1.00 0.00 C ATOM 0 H ALA A 52 -12.993 3.840 12.416 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.717 3.542 15.165 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.436 1.426 14.978 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.480 1.670 13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.733 1.989 13.443 1.00 0.00 H new ATOM 418 N LYS A 53 -10.694 4.616 14.575 1.00 0.00 N ATOM 419 CA LYS A 53 -9.477 5.143 15.253 1.00 0.00 C ATOM 420 C LYS A 53 -9.883 6.204 16.278 1.00 0.00 C ATOM 421 O LYS A 53 -9.238 6.379 17.293 1.00 0.00 O ATOM 422 CB LYS A 53 -8.544 5.768 14.213 1.00 0.00 C ATOM 423 CG LYS A 53 -8.046 4.683 13.257 1.00 0.00 C ATOM 424 CD LYS A 53 -7.037 5.289 12.280 1.00 0.00 C ATOM 425 CE LYS A 53 -6.628 4.234 11.250 1.00 0.00 C ATOM 426 NZ LYS A 53 -6.048 4.905 10.053 1.00 0.00 N ATOM 0 H LYS A 53 -10.731 4.769 13.567 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.961 4.327 15.760 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.070 6.544 13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.699 6.247 14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.582 3.873 13.819 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.885 4.252 12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.474 6.152 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.160 5.645 12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.900 3.550 11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.494 3.637 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.770 4.187 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.756 5.541 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.212 5.456 10.335 1.00 0.00 H new ATOM 427 N SER A 54 -10.947 6.914 16.021 1.00 0.00 N ATOM 428 CA SER A 54 -11.391 7.963 16.982 1.00 0.00 C ATOM 429 C SER A 54 -11.699 7.319 18.334 1.00 0.00 C ATOM 430 O SER A 54 -11.584 7.944 19.371 1.00 0.00 O ATOM 431 CB SER A 54 -12.651 8.647 16.444 1.00 0.00 C ATOM 432 OG SER A 54 -12.405 9.126 15.130 1.00 0.00 O ATOM 0 H SER A 54 -11.527 6.813 15.188 1.00 0.00 H new ATOM 0 HA SER A 54 -10.599 8.702 17.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.484 7.944 16.436 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.936 9.473 17.096 1.00 0.00 H new ATOM 0 HG SER A 54 -13.212 9.562 14.785 1.00 0.00 H new ATOM 433 N GLN A 55 -12.089 6.074 18.335 1.00 0.00 N ATOM 434 CA GLN A 55 -12.403 5.391 19.621 1.00 0.00 C ATOM 435 C GLN A 55 -11.652 4.060 19.688 1.00 0.00 C ATOM 436 O GLN A 55 -10.519 4.018 19.237 1.00 0.00 O ATOM 437 CB GLN A 55 -13.909 5.132 19.706 1.00 0.00 C ATOM 438 CG GLN A 55 -14.654 6.467 19.773 1.00 0.00 C ATOM 439 CD GLN A 55 -16.160 6.207 19.843 1.00 0.00 C ATOM 440 OE1 GLN A 55 -16.616 5.121 19.546 1.00 0.00 O ATOM 441 NE2 GLN A 55 -16.957 7.168 20.225 1.00 0.00 N ATOM 442 OXT GLN A 55 -12.222 3.105 20.191 1.00 0.00 O ATOM 0 H GLN A 55 -12.204 5.500 17.500 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.095 6.024 20.453 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.240 4.562 18.838 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.136 4.532 20.587 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.331 7.033 20.647 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.419 7.071 18.897 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.574 8.080 20.474 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.963 7.007 20.274 1.00 0.00 H new TER 443 GLN A 55