USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=7 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 2 ASN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 5 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.5!) USER MOD Single : A 7 MET CE :methyl -138:sc= -3.55! (180deg=-6.98!) USER MOD Single : A 9 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5.3!) USER MOD Single : A 12 GLN : amide:sc= -4.46! C(o=-4.5!,f=-6.7!) USER MOD Single : A 15 MET CE :methyl -149:sc= -0.451 (180deg=-2.15!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.2!) 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=-1.3!) USER MOD Single : A 31 SER OG : rot -60:sc= 0.314 USER MOD Single : A 36 MET CE :methyl -139:sc= -1.76 (180deg=-5.24!) USER MOD Single : A 39 ASN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -2.97! (180deg=-5.86!) USER MOD Single : A 43 THR OG1 : rot -65:sc= -1.2! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -126:sc= -0.0203 (180deg=-0.333) 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 ----------------------------------------------------------------- ATOM 10 N ASN A 2 -8.304 14.590 -0.299 1.00 0.00 N ATOM 11 CA ASN A 2 -8.799 13.240 0.089 1.00 0.00 C ATOM 12 C ASN A 2 -10.235 13.059 -0.407 1.00 0.00 C ATOM 13 O ASN A 2 -11.098 12.599 0.313 1.00 0.00 O ATOM 14 CB ASN A 2 -8.767 13.104 1.613 1.00 0.00 C ATOM 15 CG ASN A 2 -7.359 13.418 2.123 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.198 14.106 3.113 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.325 12.941 1.486 1.00 0.00 N ATOM 0 HA ASN A 2 -8.161 12.478 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.489 13.784 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.054 12.094 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.383 13.145 1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.459 12.364 0.656 1.00 0.00 H new ATOM 18 N GLU A 3 -10.497 13.413 -1.635 1.00 0.00 N ATOM 19 CA GLU A 3 -11.877 13.259 -2.175 1.00 0.00 C ATOM 20 C GLU A 3 -12.279 11.784 -2.127 1.00 0.00 C ATOM 21 O GLU A 3 -13.423 11.449 -1.891 1.00 0.00 O ATOM 22 CB GLU A 3 -11.918 13.751 -3.623 1.00 0.00 C ATOM 23 CG GLU A 3 -13.367 13.762 -4.117 1.00 0.00 C ATOM 24 CD GLU A 3 -13.400 14.173 -5.589 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.340 14.421 -6.140 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.486 14.233 -6.143 1.00 0.00 O ATOM 0 H GLU A 3 -9.816 13.802 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.570 13.846 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.492 14.752 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.312 13.103 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.812 12.775 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.960 14.456 -3.521 1.00 0.00 H new ATOM 27 N ASP A 4 -11.347 10.898 -2.349 1.00 0.00 N ATOM 28 CA ASP A 4 -11.677 9.445 -2.315 1.00 0.00 C ATOM 29 C ASP A 4 -12.259 9.088 -0.947 1.00 0.00 C ATOM 30 O ASP A 4 -13.102 8.221 -0.827 1.00 0.00 O ATOM 31 CB ASP A 4 -10.408 8.626 -2.557 1.00 0.00 C ATOM 32 CG ASP A 4 -9.742 9.089 -3.855 1.00 0.00 C ATOM 33 OD1 ASP A 4 -10.411 9.740 -4.641 1.00 0.00 O ATOM 34 OD2 ASP A 4 -8.575 8.785 -4.039 1.00 0.00 O ATOM 0 H ASP A 4 -10.372 11.117 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.407 9.221 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.720 8.745 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.653 7.566 -2.619 1.00 0.00 H new ATOM 35 N GLN A 5 -11.816 9.750 0.086 1.00 0.00 N ATOM 36 CA GLN A 5 -12.342 9.450 1.447 1.00 0.00 C ATOM 37 C GLN A 5 -13.821 9.837 1.517 1.00 0.00 C ATOM 38 O GLN A 5 -14.605 9.209 2.202 1.00 0.00 O ATOM 39 CB GLN A 5 -11.555 10.251 2.485 1.00 0.00 C ATOM 40 CG GLN A 5 -10.120 9.726 2.552 1.00 0.00 C ATOM 41 CD GLN A 5 -9.335 10.518 3.599 1.00 0.00 C ATOM 42 OE1 GLN A 5 -9.769 11.566 4.036 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.189 10.061 4.023 1.00 0.00 N ATOM 0 H GLN A 5 -11.112 10.487 0.046 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.235 8.385 1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.555 11.308 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.031 10.167 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.121 8.666 2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.642 9.818 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.824 9.182 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.658 10.583 4.720 1.00 0.00 H new ATOM 44 N GLU A 6 -14.209 10.865 0.813 1.00 0.00 N ATOM 45 CA GLU A 6 -15.637 11.289 0.840 1.00 0.00 C ATOM 46 C GLU A 6 -16.513 10.163 0.287 1.00 0.00 C ATOM 47 O GLU A 6 -17.619 9.945 0.740 1.00 0.00 O ATOM 48 CB GLU A 6 -15.813 12.542 -0.021 1.00 0.00 C ATOM 49 CG GLU A 6 -15.010 13.693 0.588 1.00 0.00 C ATOM 50 CD GLU A 6 -15.226 14.960 -0.243 1.00 0.00 C ATOM 51 OE1 GLU A 6 -15.821 14.856 -1.302 1.00 0.00 O ATOM 52 OE2 GLU A 6 -14.791 16.013 0.195 1.00 0.00 O ATOM 0 H GLU A 6 -13.599 11.429 0.221 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.932 11.509 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.476 12.347 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.868 12.811 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.322 13.863 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.951 13.438 0.614 1.00 0.00 H new ATOM 53 N MET A 7 -16.026 9.444 -0.686 1.00 0.00 N ATOM 54 CA MET A 7 -16.831 8.331 -1.263 1.00 0.00 C ATOM 55 C MET A 7 -17.105 7.289 -0.179 1.00 0.00 C ATOM 56 O MET A 7 -18.094 6.583 -0.219 1.00 0.00 O ATOM 57 CB MET A 7 -16.055 7.677 -2.408 1.00 0.00 C ATOM 58 CG MET A 7 -16.029 8.619 -3.613 1.00 0.00 C ATOM 59 SD MET A 7 -15.249 7.783 -5.016 1.00 0.00 S ATOM 60 CE MET A 7 -13.730 7.283 -4.169 1.00 0.00 C ATOM 0 H MET A 7 -15.106 9.579 -1.106 1.00 0.00 H new ATOM 0 HA MET A 7 -17.774 8.725 -1.641 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.038 7.450 -2.089 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.521 6.731 -2.683 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.043 8.921 -3.874 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.480 9.527 -3.366 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.876 7.445 -4.827 1.00 0.00 H new ATOM 0 HE2 MET A 7 -13.607 7.876 -3.263 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.791 6.227 -3.906 1.00 0.00 H new ATOM 61 N CYS A 8 -16.238 7.185 0.789 1.00 0.00 N ATOM 62 CA CYS A 8 -16.452 6.186 1.873 1.00 0.00 C ATOM 63 C CYS A 8 -17.558 6.676 2.808 1.00 0.00 C ATOM 64 O CYS A 8 -18.312 5.896 3.353 1.00 0.00 O ATOM 65 CB CYS A 8 -15.157 5.999 2.663 1.00 0.00 C ATOM 66 SG CYS A 8 -15.421 4.781 3.976 1.00 0.00 S ATOM 0 H CYS A 8 -15.392 7.748 0.877 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.746 5.233 1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.359 5.667 1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.840 6.949 3.092 1.00 0.00 H new ATOM 67 N HIS A 9 -17.663 7.962 2.995 1.00 0.00 N ATOM 68 CA HIS A 9 -18.725 8.496 3.892 1.00 0.00 C ATOM 69 C HIS A 9 -20.072 7.889 3.485 1.00 0.00 C ATOM 70 O HIS A 9 -20.822 7.405 4.310 1.00 0.00 O ATOM 71 CB HIS A 9 -18.776 10.024 3.763 1.00 0.00 C ATOM 72 CG HIS A 9 -20.091 10.540 4.281 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.287 10.290 3.629 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.414 11.290 5.384 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.267 10.879 4.337 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.789 11.503 5.418 1.00 0.00 N ATOM 0 H HIS A 9 -17.061 8.665 2.567 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.508 8.234 4.928 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.954 10.472 4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.648 10.314 2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.709 11.659 6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.312 10.851 4.065 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.318 12.023 6.118 1.00 0.00 H new ATOM 77 N GLU A 10 -20.383 7.915 2.219 1.00 0.00 N ATOM 78 CA GLU A 10 -21.679 7.345 1.755 1.00 0.00 C ATOM 79 C GLU A 10 -21.759 5.863 2.128 1.00 0.00 C ATOM 80 O GLU A 10 -22.809 5.361 2.476 1.00 0.00 O ATOM 81 CB GLU A 10 -21.786 7.494 0.237 1.00 0.00 C ATOM 82 CG GLU A 10 -23.153 6.987 -0.229 1.00 0.00 C ATOM 83 CD GLU A 10 -23.193 6.959 -1.759 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.183 7.280 -2.364 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.233 6.619 -2.298 1.00 0.00 O ATOM 0 H GLU A 10 -19.794 8.307 1.484 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.498 7.880 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.657 8.538 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.991 6.931 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.337 5.989 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.942 7.634 0.154 1.00 0.00 H new ATOM 86 N PHE A 11 -20.665 5.155 2.059 1.00 0.00 N ATOM 87 CA PHE A 11 -20.701 3.707 2.409 1.00 0.00 C ATOM 88 C PHE A 11 -20.705 3.549 3.931 1.00 0.00 C ATOM 89 O PHE A 11 -21.083 2.519 4.456 1.00 0.00 O ATOM 90 CB PHE A 11 -19.477 2.995 1.822 1.00 0.00 C ATOM 91 CG PHE A 11 -19.920 1.986 0.783 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.105 1.265 0.971 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.146 1.769 -0.366 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.517 0.332 0.015 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.560 0.833 -1.322 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.746 0.116 -1.131 1.00 0.00 C ATOM 0 H PHE A 11 -19.753 5.514 1.777 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.605 3.262 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.803 3.723 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.921 2.494 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.702 1.430 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.231 2.323 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.432 -0.223 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.964 0.665 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.066 -0.605 -1.869 1.00 0.00 H new ATOM 97 N GLN A 12 -20.294 4.559 4.647 1.00 0.00 N ATOM 98 CA GLN A 12 -20.285 4.457 6.133 1.00 0.00 C ATOM 99 C GLN A 12 -21.720 4.290 6.632 1.00 0.00 C ATOM 100 O GLN A 12 -21.974 3.608 7.606 1.00 0.00 O ATOM 101 CB GLN A 12 -19.678 5.728 6.732 1.00 0.00 C ATOM 102 CG GLN A 12 -19.688 5.629 8.259 1.00 0.00 C ATOM 103 CD GLN A 12 -19.221 6.955 8.860 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.833 7.857 8.144 1.00 0.00 O ATOM 105 NE2 GLN A 12 -19.243 7.114 10.155 1.00 0.00 N ATOM 0 H GLN A 12 -19.965 5.447 4.269 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.688 3.597 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.658 5.861 6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.245 6.601 6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.692 5.391 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.035 4.820 8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.569 6.357 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.935 7.995 10.566 1.00 0.00 H new ATOM 106 N ALA A 13 -22.662 4.902 5.968 1.00 0.00 N ATOM 107 CA ALA A 13 -24.081 4.770 6.401 1.00 0.00 C ATOM 108 C ALA A 13 -24.552 3.338 6.143 1.00 0.00 C ATOM 109 O ALA A 13 -25.322 2.781 6.900 1.00 0.00 O ATOM 110 CB ALA A 13 -24.950 5.745 5.604 1.00 0.00 C ATOM 0 H ALA A 13 -22.510 5.487 5.146 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.164 4.998 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -25.989 5.649 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.609 6.765 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -24.872 5.517 4.541 1.00 0.00 H new ATOM 111 N PHE A 14 -24.088 2.737 5.081 1.00 0.00 N ATOM 112 CA PHE A 14 -24.501 1.340 4.774 1.00 0.00 C ATOM 113 C PHE A 14 -23.775 0.374 5.714 1.00 0.00 C ATOM 114 O PHE A 14 -23.982 -0.822 5.669 1.00 0.00 O ATOM 115 CB PHE A 14 -24.136 1.007 3.325 1.00 0.00 C ATOM 116 CG PHE A 14 -24.990 1.824 2.386 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.283 1.397 2.064 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.487 3.009 1.836 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.073 2.154 1.192 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.277 3.766 0.963 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.571 3.338 0.641 1.00 0.00 C ATOM 0 H PHE A 14 -23.440 3.154 4.413 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.578 1.242 4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.081 1.216 3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.286 -0.056 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.671 0.483 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.489 3.339 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.071 1.824 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.889 4.680 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.181 3.922 -0.032 1.00 0.00 H new ATOM 122 N MET A 15 -22.924 0.882 6.563 1.00 0.00 N ATOM 123 CA MET A 15 -22.187 -0.012 7.500 1.00 0.00 C ATOM 124 C MET A 15 -23.092 -0.373 8.679 1.00 0.00 C ATOM 125 O MET A 15 -23.719 0.478 9.276 1.00 0.00 O ATOM 126 CB MET A 15 -20.939 0.706 8.016 1.00 0.00 C ATOM 127 CG MET A 15 -19.963 -0.322 8.590 1.00 0.00 C ATOM 128 SD MET A 15 -20.531 -0.840 10.229 1.00 0.00 S ATOM 129 CE MET A 15 -20.353 0.762 11.049 1.00 0.00 C ATOM 0 H MET A 15 -22.708 1.875 6.648 1.00 0.00 H new ATOM 0 HA MET A 15 -21.892 -0.922 6.977 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.465 1.262 7.207 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.214 1.431 8.782 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.895 -1.185 7.927 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.964 0.108 8.658 1.00 0.00 H new ATOM 0 HE1 MET A 15 -20.110 0.608 12.100 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.554 1.329 10.571 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.288 1.317 10.971 1.00 0.00 H new ATOM 130 N LYS A 16 -23.164 -1.631 9.018 1.00 0.00 N ATOM 131 CA LYS A 16 -24.031 -2.044 10.158 1.00 0.00 C ATOM 132 C LYS A 16 -23.334 -3.146 10.962 1.00 0.00 C ATOM 133 O LYS A 16 -22.871 -4.127 10.417 1.00 0.00 O ATOM 134 CB LYS A 16 -25.363 -2.574 9.621 1.00 0.00 C ATOM 135 CG LYS A 16 -26.090 -1.459 8.867 1.00 0.00 C ATOM 136 CD LYS A 16 -27.518 -1.907 8.548 1.00 0.00 C ATOM 137 CE LYS A 16 -28.216 -0.831 7.716 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.648 -0.739 8.122 1.00 0.00 N ATOM 0 H LYS A 16 -22.661 -2.389 8.556 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.213 -1.184 10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.189 -3.422 8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.981 -2.934 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.108 -0.550 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.558 -1.221 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.501 -2.850 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.070 -2.083 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.724 0.131 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.142 -1.072 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.123 -0.007 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.113 -1.655 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.708 -0.490 9.130 1.00 0.00 H new ATOM 139 N ASN A 17 -23.263 -2.992 12.255 1.00 0.00 N ATOM 140 CA ASN A 17 -22.603 -4.031 13.096 1.00 0.00 C ATOM 141 C ASN A 17 -21.212 -4.343 12.539 1.00 0.00 C ATOM 142 O ASN A 17 -20.794 -5.483 12.493 1.00 0.00 O ATOM 143 CB ASN A 17 -23.452 -5.305 13.089 1.00 0.00 C ATOM 144 CG ASN A 17 -24.820 -5.009 13.706 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.986 -4.027 14.402 1.00 0.00 O ATOM 146 ND2 ASN A 17 -25.814 -5.823 13.480 1.00 0.00 N ATOM 0 H ASN A 17 -23.634 -2.191 12.767 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.506 -3.660 14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.572 -5.669 12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -22.950 -6.092 13.651 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -26.730 -5.635 13.887 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -25.675 -6.648 12.896 1.00 0.00 H new ATOM 147 N GLY A 18 -20.490 -3.341 12.119 1.00 0.00 N ATOM 148 CA GLY A 18 -19.125 -3.583 11.571 1.00 0.00 C ATOM 149 C GLY A 18 -19.231 -4.304 10.225 1.00 0.00 C ATOM 150 O GLY A 18 -18.331 -5.011 9.817 1.00 0.00 O ATOM 0 H GLY A 18 -20.786 -2.365 12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.599 -2.636 11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.542 -4.182 12.271 1.00 0.00 H new ATOM 151 N LYS A 19 -20.321 -4.130 9.529 1.00 0.00 N ATOM 152 CA LYS A 19 -20.480 -4.803 8.209 1.00 0.00 C ATOM 153 C LYS A 19 -20.841 -3.758 7.153 1.00 0.00 C ATOM 154 O LYS A 19 -21.743 -2.965 7.334 1.00 0.00 O ATOM 155 CB LYS A 19 -21.593 -5.851 8.302 1.00 0.00 C ATOM 156 CG LYS A 19 -22.027 -6.275 6.896 1.00 0.00 C ATOM 157 CD LYS A 19 -20.795 -6.639 6.063 1.00 0.00 C ATOM 158 CE LYS A 19 -20.974 -8.041 5.475 1.00 0.00 C ATOM 159 NZ LYS A 19 -19.653 -8.730 5.424 1.00 0.00 N ATOM 0 H LYS A 19 -21.109 -3.550 9.818 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.548 -5.294 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.242 -6.718 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.444 -5.443 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.703 -7.128 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.577 -5.466 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.656 -5.912 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.900 -6.605 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.673 -8.616 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.401 -7.976 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.774 -9.683 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.000 -8.184 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.263 -8.804 6.385 1.00 0.00 H new ATOM 160 N LEU A 20 -20.139 -3.746 6.053 1.00 0.00 N ATOM 161 CA LEU A 20 -20.439 -2.748 4.989 1.00 0.00 C ATOM 162 C LEU A 20 -21.183 -3.427 3.836 1.00 0.00 C ATOM 163 O LEU A 20 -20.618 -4.209 3.098 1.00 0.00 O ATOM 164 CB LEU A 20 -19.124 -2.155 4.475 1.00 0.00 C ATOM 165 CG LEU A 20 -19.384 -1.309 3.225 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.928 0.058 3.637 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.075 -1.122 2.454 1.00 0.00 C ATOM 0 H LEU A 20 -19.371 -4.384 5.846 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.066 -1.955 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.665 -1.542 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.421 -2.955 4.243 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.112 -1.815 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.113 0.659 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.860 -0.072 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.200 0.563 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.260 -0.520 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.347 -0.617 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.684 -2.096 2.159 1.00 0.00 H new ATOM 168 N PHE A 21 -22.443 -3.127 3.669 1.00 0.00 N ATOM 169 CA PHE A 21 -23.215 -3.749 2.555 1.00 0.00 C ATOM 170 C PHE A 21 -22.949 -2.964 1.270 1.00 0.00 C ATOM 171 O PHE A 21 -23.363 -1.830 1.129 1.00 0.00 O ATOM 172 CB PHE A 21 -24.709 -3.705 2.882 1.00 0.00 C ATOM 173 CG PHE A 21 -24.994 -4.607 4.058 1.00 0.00 C ATOM 174 CD1 PHE A 21 -25.284 -5.961 3.850 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.970 -4.088 5.358 1.00 0.00 C ATOM 176 CE1 PHE A 21 -25.549 -6.797 4.942 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.234 -4.923 6.449 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.524 -6.277 6.241 1.00 0.00 C ATOM 0 H PHE A 21 -22.970 -2.479 4.255 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.907 -4.786 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -25.012 -2.683 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.291 -4.023 2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -25.303 -6.361 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -24.748 -3.043 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -25.772 -7.841 4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.214 -4.523 7.452 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.729 -6.921 7.084 1.00 0.00 H new ATOM 179 N CYS A 22 -22.249 -3.548 0.336 1.00 0.00 N ATOM 180 CA CYS A 22 -21.944 -2.821 -0.930 1.00 0.00 C ATOM 181 C CYS A 22 -22.743 -3.415 -2.095 1.00 0.00 C ATOM 182 O CYS A 22 -22.186 -3.992 -3.007 1.00 0.00 O ATOM 183 CB CYS A 22 -20.448 -2.940 -1.226 1.00 0.00 C ATOM 184 SG CYS A 22 -19.513 -2.548 0.272 1.00 0.00 S ATOM 0 H CYS A 22 -21.876 -4.495 0.394 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.221 -1.773 -0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.211 -3.949 -1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.169 -2.261 -2.031 1.00 0.00 H new ATOM 185 N PRO A 23 -24.076 -3.255 -2.068 1.00 0.00 N ATOM 186 CA PRO A 23 -24.953 -3.761 -3.131 1.00 0.00 C ATOM 187 C PRO A 23 -24.813 -2.932 -4.413 1.00 0.00 C ATOM 188 O PRO A 23 -24.142 -1.919 -4.434 1.00 0.00 O ATOM 189 CB PRO A 23 -26.356 -3.581 -2.553 1.00 0.00 C ATOM 190 CG PRO A 23 -26.218 -2.472 -1.565 1.00 0.00 C ATOM 191 CD PRO A 23 -24.829 -2.574 -1.001 1.00 0.00 C ATOM 0 HA PRO A 23 -24.718 -4.790 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.076 -3.330 -3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.708 -4.495 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.372 -1.505 -2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.965 -2.560 -0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.412 -1.591 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.813 -3.144 -0.072 1.00 0.00 H new ATOM 192 N GLN A 24 -25.444 -3.345 -5.477 1.00 0.00 N ATOM 193 CA GLN A 24 -25.345 -2.569 -6.746 1.00 0.00 C ATOM 194 C GLN A 24 -26.393 -1.453 -6.736 1.00 0.00 C ATOM 195 O GLN A 24 -27.532 -1.664 -6.367 1.00 0.00 O ATOM 196 CB GLN A 24 -25.595 -3.497 -7.937 1.00 0.00 C ATOM 197 CG GLN A 24 -24.358 -4.363 -8.179 1.00 0.00 C ATOM 198 CD GLN A 24 -24.581 -5.238 -9.414 1.00 0.00 C ATOM 199 OE1 GLN A 24 -25.669 -5.285 -9.952 1.00 0.00 O ATOM 200 NE2 GLN A 24 -23.586 -5.938 -9.890 1.00 0.00 N ATOM 0 H GLN A 24 -26.023 -4.184 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.349 -2.135 -6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.462 -4.129 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -25.821 -2.910 -8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -23.481 -3.731 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -24.163 -4.988 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -22.672 -5.898 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -23.723 -6.524 -10.714 1.00 0.00 H new ATOM 201 N ASP A 25 -26.019 -0.267 -7.130 1.00 0.00 N ATOM 202 CA ASP A 25 -26.997 0.859 -7.133 1.00 0.00 C ATOM 203 C ASP A 25 -27.479 1.120 -8.562 1.00 0.00 C ATOM 204 O ASP A 25 -26.895 0.655 -9.521 1.00 0.00 O ATOM 205 CB ASP A 25 -26.326 2.119 -6.581 1.00 0.00 C ATOM 206 CG ASP A 25 -25.165 2.523 -7.495 1.00 0.00 C ATOM 207 OD1 ASP A 25 -25.040 1.936 -8.556 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.423 3.413 -7.116 1.00 0.00 O ATOM 0 H ASP A 25 -25.080 -0.028 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.851 0.597 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -27.051 2.931 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -25.960 1.936 -5.571 1.00 0.00 H new ATOM 209 N LYS A 26 -28.544 1.862 -8.711 1.00 0.00 N ATOM 210 CA LYS A 26 -29.067 2.154 -10.077 1.00 0.00 C ATOM 211 C LYS A 26 -28.102 3.093 -10.803 1.00 0.00 C ATOM 212 O LYS A 26 -27.956 3.037 -12.009 1.00 0.00 O ATOM 213 CB LYS A 26 -30.439 2.821 -9.965 1.00 0.00 C ATOM 214 CG LYS A 26 -31.424 1.859 -9.300 1.00 0.00 C ATOM 215 CD LYS A 26 -32.802 2.519 -9.214 1.00 0.00 C ATOM 216 CE LYS A 26 -33.767 1.595 -8.466 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.968 1.340 -9.311 1.00 0.00 N ATOM 0 H LYS A 26 -29.074 2.278 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.159 1.224 -10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.362 3.739 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.800 3.101 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.487 0.933 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -31.073 1.594 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.726 3.477 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -33.181 2.724 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.273 0.654 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -34.064 2.050 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -35.623 0.712 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -35.443 2.241 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.677 0.888 -10.201 1.00 0.00 H new ATOM 218 N LYS A 27 -27.445 3.956 -10.080 1.00 0.00 N ATOM 219 CA LYS A 27 -26.492 4.900 -10.729 1.00 0.00 C ATOM 220 C LYS A 27 -25.066 4.577 -10.278 1.00 0.00 C ATOM 221 O LYS A 27 -24.614 5.030 -9.245 1.00 0.00 O ATOM 222 CB LYS A 27 -26.841 6.335 -10.328 1.00 0.00 C ATOM 223 CG LYS A 27 -26.043 7.314 -11.192 1.00 0.00 C ATOM 224 CD LYS A 27 -25.194 8.212 -10.290 1.00 0.00 C ATOM 225 CE LYS A 27 -25.946 9.517 -10.017 1.00 0.00 C ATOM 226 NZ LYS A 27 -26.209 9.642 -8.555 1.00 0.00 N ATOM 0 H LYS A 27 -27.526 4.049 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.562 4.798 -11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.910 6.510 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -26.614 6.495 -9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.404 6.767 -11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.720 7.920 -11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.977 7.702 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.237 8.424 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.360 10.367 -10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.886 9.530 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.720 10.528 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.785 8.837 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.306 9.648 -8.039 1.00 0.00 H new ATOM 227 N PRO A 28 -24.346 3.778 -11.077 1.00 0.00 N ATOM 228 CA PRO A 28 -22.964 3.386 -10.770 1.00 0.00 C ATOM 229 C PRO A 28 -21.998 4.566 -10.902 1.00 0.00 C ATOM 230 O PRO A 28 -22.133 5.397 -11.778 1.00 0.00 O ATOM 231 CB PRO A 28 -22.648 2.331 -11.831 1.00 0.00 C ATOM 232 CG PRO A 28 -23.565 2.651 -12.962 1.00 0.00 C ATOM 233 CD PRO A 28 -24.822 3.190 -12.342 1.00 0.00 C ATOM 0 HA PRO A 28 -22.857 3.026 -9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.604 2.380 -12.141 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.821 1.324 -11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.116 3.384 -13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.774 1.762 -13.557 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.298 3.936 -12.979 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.556 2.403 -12.170 1.00 0.00 H new ATOM 234 N ILE A 29 -21.022 4.646 -10.038 1.00 0.00 N ATOM 235 CA ILE A 29 -20.049 5.772 -10.115 1.00 0.00 C ATOM 236 C ILE A 29 -18.724 5.262 -10.688 1.00 0.00 C ATOM 237 O ILE A 29 -18.429 4.084 -10.637 1.00 0.00 O ATOM 238 CB ILE A 29 -19.810 6.339 -8.712 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.060 7.670 -8.824 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.979 5.339 -7.898 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.491 8.058 -7.462 1.00 0.00 C ATOM 0 H ILE A 29 -20.857 3.980 -9.283 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.450 6.554 -10.760 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.764 6.506 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.255 7.584 -9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.733 8.449 -9.182 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.806 5.738 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.517 4.394 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.022 5.173 -8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.958 9.005 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.305 8.162 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.803 7.284 -7.121 1.00 0.00 H new ATOM 242 N GLN A 30 -17.924 6.138 -11.228 1.00 0.00 N ATOM 243 CA GLN A 30 -16.620 5.701 -11.798 1.00 0.00 C ATOM 244 C GLN A 30 -15.512 5.938 -10.768 1.00 0.00 C ATOM 245 O GLN A 30 -15.204 7.061 -10.419 1.00 0.00 O ATOM 246 CB GLN A 30 -16.323 6.504 -13.067 1.00 0.00 C ATOM 247 CG GLN A 30 -17.226 6.011 -14.199 1.00 0.00 C ATOM 248 CD GLN A 30 -16.868 6.744 -15.494 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.151 7.725 -15.473 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.341 6.306 -16.629 1.00 0.00 N ATOM 0 H GLN A 30 -18.117 7.137 -11.299 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.665 4.640 -12.045 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.492 7.566 -12.887 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.275 6.391 -13.346 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.106 4.936 -14.332 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.272 6.186 -13.947 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.943 5.483 -16.647 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.109 6.787 -17.498 1.00 0.00 H new ATOM 251 N SER A 31 -14.917 4.888 -10.273 1.00 0.00 N ATOM 252 CA SER A 31 -13.834 5.049 -9.261 1.00 0.00 C ATOM 253 C SER A 31 -12.524 5.412 -9.961 1.00 0.00 C ATOM 254 O SER A 31 -12.453 5.480 -11.172 1.00 0.00 O ATOM 255 CB SER A 31 -13.654 3.736 -8.499 1.00 0.00 C ATOM 256 OG SER A 31 -12.830 2.861 -9.255 1.00 0.00 O ATOM 0 H SER A 31 -15.134 3.924 -10.526 1.00 0.00 H new ATOM 0 HA SER A 31 -14.104 5.844 -8.566 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.203 3.927 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.624 3.273 -8.316 1.00 0.00 H new ATOM 0 HG SER A 31 -13.251 2.683 -10.122 1.00 0.00 H new ATOM 257 N LEU A 32 -11.484 5.647 -9.207 1.00 0.00 N ATOM 258 CA LEU A 32 -10.178 6.007 -9.828 1.00 0.00 C ATOM 259 C LEU A 32 -9.160 4.896 -9.555 1.00 0.00 C ATOM 260 O LEU A 32 -8.077 4.886 -10.106 1.00 0.00 O ATOM 261 CB LEU A 32 -9.672 7.321 -9.227 1.00 0.00 C ATOM 262 CG LEU A 32 -9.893 7.308 -7.712 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.682 7.931 -7.014 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.147 8.116 -7.372 1.00 0.00 C ATOM 0 H LEU A 32 -11.483 5.605 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.308 6.125 -10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.613 7.451 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.198 8.164 -9.675 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.019 6.280 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.839 7.922 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.788 7.357 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.555 8.959 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.304 8.107 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.021 9.144 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.011 7.674 -7.869 1.00 0.00 H new ATOM 265 N ASP A 33 -9.499 3.960 -8.711 1.00 0.00 N ATOM 266 CA ASP A 33 -8.551 2.852 -8.407 1.00 0.00 C ATOM 267 C ASP A 33 -8.543 1.851 -9.566 1.00 0.00 C ATOM 268 O ASP A 33 -7.852 0.854 -9.531 1.00 0.00 O ATOM 269 CB ASP A 33 -8.994 2.140 -7.129 1.00 0.00 C ATOM 270 CG ASP A 33 -8.706 3.033 -5.921 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.119 4.085 -6.113 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.078 2.650 -4.824 1.00 0.00 O ATOM 0 H ASP A 33 -10.391 3.915 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.550 3.260 -8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.058 1.910 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.467 1.191 -7.027 1.00 0.00 H new ATOM 273 N GLY A 34 -9.308 2.109 -10.591 1.00 0.00 N ATOM 274 CA GLY A 34 -9.344 1.170 -11.748 1.00 0.00 C ATOM 275 C GLY A 34 -10.602 0.300 -11.661 1.00 0.00 C ATOM 276 O GLY A 34 -10.805 -0.594 -12.459 1.00 0.00 O ATOM 0 H GLY A 34 -9.909 2.928 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.339 1.729 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.453 0.541 -11.748 1.00 0.00 H new ATOM 277 N ILE A 35 -11.449 0.555 -10.701 1.00 0.00 N ATOM 278 CA ILE A 35 -12.692 -0.258 -10.568 1.00 0.00 C ATOM 279 C ILE A 35 -13.907 0.613 -10.902 1.00 0.00 C ATOM 280 O ILE A 35 -13.793 1.808 -11.088 1.00 0.00 O ATOM 281 CB ILE A 35 -12.814 -0.772 -9.130 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.499 -1.428 -8.701 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.944 -1.798 -9.048 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.434 -1.490 -7.171 1.00 0.00 C ATOM 0 H ILE A 35 -11.334 1.290 -10.004 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.649 -1.104 -11.254 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.032 0.065 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.428 -2.432 -9.120 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.653 -0.860 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.030 -2.163 -8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.882 -1.331 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.726 -2.633 -9.714 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.498 -1.957 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.486 -0.480 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.272 -2.077 -6.795 1.00 0.00 H new ATOM 285 N MET A 36 -15.072 0.028 -10.979 1.00 0.00 N ATOM 286 CA MET A 36 -16.289 0.827 -11.297 1.00 0.00 C ATOM 287 C MET A 36 -17.239 0.806 -10.096 1.00 0.00 C ATOM 288 O MET A 36 -17.912 -0.173 -9.845 1.00 0.00 O ATOM 289 CB MET A 36 -16.992 0.225 -12.514 1.00 0.00 C ATOM 290 CG MET A 36 -16.180 0.530 -13.774 1.00 0.00 C ATOM 291 SD MET A 36 -16.138 2.318 -14.046 1.00 0.00 S ATOM 292 CE MET A 36 -17.919 2.556 -14.257 1.00 0.00 C ATOM 0 H MET A 36 -15.233 -0.969 -10.835 1.00 0.00 H new ATOM 0 HA MET A 36 -16.002 1.855 -11.517 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.099 -0.853 -12.389 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.997 0.637 -12.607 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.166 0.143 -13.669 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.624 0.031 -14.635 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.098 3.261 -15.069 1.00 0.00 H new ATOM 0 HE2 MET A 36 -18.388 1.601 -14.495 1.00 0.00 H new ATOM 0 HE3 MET A 36 -18.345 2.949 -13.334 1.00 0.00 H new ATOM 293 N PHE A 37 -17.295 1.878 -9.351 1.00 0.00 N ATOM 294 CA PHE A 37 -18.198 1.929 -8.161 1.00 0.00 C ATOM 295 C PHE A 37 -17.721 0.942 -7.097 1.00 0.00 C ATOM 296 O PHE A 37 -17.447 1.320 -5.975 1.00 0.00 O ATOM 297 CB PHE A 37 -19.632 1.593 -8.574 1.00 0.00 C ATOM 298 CG PHE A 37 -20.517 1.590 -7.351 1.00 0.00 C ATOM 299 CD1 PHE A 37 -21.147 2.771 -6.939 1.00 0.00 C ATOM 300 CD2 PHE A 37 -20.709 0.407 -6.629 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.967 2.768 -5.804 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.530 0.403 -5.494 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.159 1.584 -5.082 1.00 0.00 C ATOM 0 H PHE A 37 -16.752 2.725 -9.515 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.174 2.937 -7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.995 2.323 -9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.663 0.619 -9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -21.000 3.684 -7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -20.224 -0.504 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -22.451 3.679 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -21.678 -0.511 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.792 1.582 -4.207 1.00 0.00 H new ATOM 304 N ILE A 38 -17.614 -0.314 -7.435 1.00 0.00 N ATOM 305 CA ILE A 38 -17.145 -1.317 -6.436 1.00 0.00 C ATOM 306 C ILE A 38 -15.979 -0.725 -5.645 1.00 0.00 C ATOM 307 O ILE A 38 -15.750 -1.071 -4.502 1.00 0.00 O ATOM 308 CB ILE A 38 -16.680 -2.586 -7.157 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.872 -3.250 -7.848 1.00 0.00 C ATOM 310 CG2 ILE A 38 -16.074 -3.558 -6.144 1.00 0.00 C ATOM 311 CD1 ILE A 38 -17.398 -4.516 -8.566 1.00 0.00 C ATOM 0 H ILE A 38 -17.831 -0.689 -8.358 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.962 -1.568 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.929 -2.322 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.640 -3.499 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.324 -2.561 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.744 -4.460 -6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.222 -3.088 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.824 -3.820 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -18.245 -4.993 -9.060 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.645 -4.253 -9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.966 -5.205 -7.841 1.00 0.00 H new ATOM 312 N ASN A 39 -15.244 0.175 -6.242 1.00 0.00 N ATOM 313 CA ASN A 39 -14.099 0.796 -5.524 1.00 0.00 C ATOM 314 C ASN A 39 -14.594 1.415 -4.218 1.00 0.00 C ATOM 315 O ASN A 39 -14.010 1.216 -3.176 1.00 0.00 O ATOM 316 CB ASN A 39 -13.473 1.888 -6.393 1.00 0.00 C ATOM 317 CG ASN A 39 -12.084 2.232 -5.853 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.288 1.352 -5.589 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.755 3.483 -5.674 1.00 0.00 N ATOM 0 H ASN A 39 -15.389 0.505 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.353 0.031 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.400 1.549 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.106 2.776 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.831 3.721 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.422 4.222 -5.895 1.00 0.00 H new ATOM 320 N LYS A 40 -15.663 2.166 -4.263 1.00 0.00 N ATOM 321 CA LYS A 40 -16.180 2.795 -3.014 1.00 0.00 C ATOM 322 C LYS A 40 -16.138 1.773 -1.882 1.00 0.00 C ATOM 323 O LYS A 40 -15.726 2.066 -0.777 1.00 0.00 O ATOM 324 CB LYS A 40 -17.621 3.263 -3.229 1.00 0.00 C ATOM 325 CG LYS A 40 -17.638 4.416 -4.232 1.00 0.00 C ATOM 326 CD LYS A 40 -18.954 5.183 -4.098 1.00 0.00 C ATOM 327 CE LYS A 40 -18.973 6.337 -5.102 1.00 0.00 C ATOM 328 NZ LYS A 40 -18.853 7.630 -4.372 1.00 0.00 N ATOM 0 H LYS A 40 -16.198 2.370 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.560 3.654 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.232 2.438 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.055 3.584 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.795 5.083 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.529 4.032 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.797 4.516 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.062 5.567 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.153 6.230 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.898 6.317 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.256 8.283 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.798 8.047 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.422 7.464 -3.440 1.00 0.00 H new ATOM 329 N CYS A 41 -16.550 0.571 -2.156 1.00 0.00 N ATOM 330 CA CYS A 41 -16.527 -0.486 -1.110 1.00 0.00 C ATOM 331 C CYS A 41 -15.078 -0.888 -0.851 1.00 0.00 C ATOM 332 O CYS A 41 -14.617 -0.928 0.273 1.00 0.00 O ATOM 333 CB CYS A 41 -17.302 -1.703 -1.611 1.00 0.00 C ATOM 334 SG CYS A 41 -17.584 -2.852 -0.243 1.00 0.00 S ATOM 0 H CYS A 41 -16.904 0.272 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.982 -0.114 -0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.255 -1.389 -2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.745 -2.199 -2.406 1.00 0.00 H new ATOM 335 N ALA A 42 -14.360 -1.192 -1.894 1.00 0.00 N ATOM 336 CA ALA A 42 -12.938 -1.600 -1.738 1.00 0.00 C ATOM 337 C ALA A 42 -12.115 -0.443 -1.164 1.00 0.00 C ATOM 338 O ALA A 42 -11.059 -0.647 -0.598 1.00 0.00 O ATOM 339 CB ALA A 42 -12.374 -1.993 -3.103 1.00 0.00 C ATOM 0 H ALA A 42 -14.700 -1.175 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.884 -2.447 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.332 -2.293 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.950 -2.825 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.437 -1.142 -3.782 1.00 0.00 H new ATOM 340 N THR A 43 -12.580 0.770 -1.304 1.00 0.00 N ATOM 341 CA THR A 43 -11.807 1.923 -0.764 1.00 0.00 C ATOM 342 C THR A 43 -12.440 2.390 0.545 1.00 0.00 C ATOM 343 O THR A 43 -11.757 2.771 1.475 1.00 0.00 O ATOM 344 CB THR A 43 -11.823 3.073 -1.774 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.123 3.191 -2.334 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.808 2.795 -2.883 1.00 0.00 C ATOM 0 H THR A 43 -13.457 1.010 -1.766 1.00 0.00 H new ATOM 0 HA THR A 43 -10.777 1.614 -0.584 1.00 0.00 H new ATOM 0 HB THR A 43 -11.559 4.003 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.328 2.388 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.820 3.615 -3.601 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.811 2.707 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.067 1.865 -3.389 1.00 0.00 H new ATOM 347 N CYS A 44 -13.740 2.365 0.624 1.00 0.00 N ATOM 348 CA CYS A 44 -14.413 2.812 1.873 1.00 0.00 C ATOM 349 C CYS A 44 -14.135 1.809 2.991 1.00 0.00 C ATOM 350 O CYS A 44 -14.022 2.172 4.140 1.00 0.00 O ATOM 351 CB CYS A 44 -15.920 2.904 1.646 1.00 0.00 C ATOM 352 SG CYS A 44 -16.721 3.456 3.175 1.00 0.00 S ATOM 0 H CYS A 44 -14.364 2.055 -0.121 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.028 3.792 2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.136 3.601 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.314 1.933 1.345 1.00 0.00 H new ATOM 353 N LYS A 45 -14.028 0.551 2.671 1.00 0.00 N ATOM 354 CA LYS A 45 -13.761 -0.457 3.735 1.00 0.00 C ATOM 355 C LYS A 45 -12.487 -0.074 4.490 1.00 0.00 C ATOM 356 O LYS A 45 -12.416 -0.177 5.698 1.00 0.00 O ATOM 357 CB LYS A 45 -13.590 -1.838 3.098 1.00 0.00 C ATOM 358 CG LYS A 45 -13.811 -2.923 4.153 1.00 0.00 C ATOM 359 CD LYS A 45 -13.470 -4.290 3.555 1.00 0.00 C ATOM 360 CE LYS A 45 -13.522 -5.354 4.652 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.005 -6.645 4.114 1.00 0.00 N ATOM 0 H LYS A 45 -14.113 0.178 1.726 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.599 -0.484 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.300 -1.962 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.592 -1.931 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.187 -2.730 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.847 -2.910 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.174 -4.537 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.478 -4.265 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.925 -5.039 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.546 -5.478 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.040 -7.370 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.592 -6.946 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.022 -6.520 3.797 1.00 0.00 H new ATOM 362 N MET A 46 -11.483 0.378 3.791 1.00 0.00 N ATOM 363 CA MET A 46 -10.222 0.776 4.477 1.00 0.00 C ATOM 364 C MET A 46 -10.417 2.150 5.122 1.00 0.00 C ATOM 365 O MET A 46 -9.959 2.404 6.219 1.00 0.00 O ATOM 366 CB MET A 46 -9.083 0.844 3.459 1.00 0.00 C ATOM 367 CG MET A 46 -8.796 -0.560 2.923 1.00 0.00 C ATOM 368 SD MET A 46 -7.335 -0.511 1.855 1.00 0.00 S ATOM 369 CE MET A 46 -6.093 -0.499 3.171 1.00 0.00 C ATOM 0 H MET A 46 -11.481 0.489 2.777 1.00 0.00 H new ATOM 0 HA MET A 46 -9.973 0.042 5.243 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.352 1.510 2.639 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.188 1.257 3.925 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.632 -1.250 3.750 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.656 -0.930 2.365 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.424 0.350 3.032 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.589 -0.416 4.138 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.517 -1.424 3.136 1.00 0.00 H new ATOM 370 N ILE A 47 -11.099 3.035 4.449 1.00 0.00 N ATOM 371 CA ILE A 47 -11.333 4.389 5.021 1.00 0.00 C ATOM 372 C ILE A 47 -12.504 4.325 6.006 1.00 0.00 C ATOM 373 O ILE A 47 -12.823 5.291 6.673 1.00 0.00 O ATOM 374 CB ILE A 47 -11.665 5.366 3.889 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.569 5.299 2.822 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.744 6.789 4.444 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.010 6.088 1.587 1.00 0.00 C ATOM 0 H ILE A 47 -11.505 2.878 3.526 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.438 4.730 5.542 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.624 5.095 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.638 5.708 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.372 4.261 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.980 7.482 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.522 6.840 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.786 7.061 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.230 6.040 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.930 5.658 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.185 7.128 1.863 1.00 0.00 H new ATOM 378 N LEU A 48 -13.149 3.192 6.102 1.00 0.00 N ATOM 379 CA LEU A 48 -14.298 3.057 7.040 1.00 0.00 C ATOM 380 C LEU A 48 -13.779 2.593 8.400 1.00 0.00 C ATOM 381 O LEU A 48 -14.406 2.796 9.419 1.00 0.00 O ATOM 382 CB LEU A 48 -15.285 2.026 6.484 1.00 0.00 C ATOM 383 CG LEU A 48 -16.499 1.928 7.410 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.537 2.973 6.998 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.111 0.530 7.300 1.00 0.00 C ATOM 0 H LEU A 48 -12.927 2.352 5.568 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.803 4.016 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.602 2.314 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.801 1.053 6.398 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.189 2.109 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.403 2.905 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.101 3.969 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.848 2.791 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.976 0.459 7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.423 0.349 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.371 -0.215 7.591 1.00 0.00 H new ATOM 386 N GLU A 49 -12.630 1.973 8.420 1.00 0.00 N ATOM 387 CA GLU A 49 -12.062 1.499 9.712 1.00 0.00 C ATOM 388 C GLU A 49 -11.403 2.678 10.428 1.00 0.00 C ATOM 389 O GLU A 49 -11.369 2.741 11.642 1.00 0.00 O ATOM 390 CB GLU A 49 -11.019 0.413 9.443 1.00 0.00 C ATOM 391 CG GLU A 49 -11.704 -0.805 8.820 1.00 0.00 C ATOM 392 CD GLU A 49 -12.658 -1.430 9.839 1.00 0.00 C ATOM 393 OE1 GLU A 49 -12.565 -1.077 11.003 1.00 0.00 O ATOM 394 OE2 GLU A 49 -13.467 -2.252 9.438 1.00 0.00 O ATOM 0 H GLU A 49 -12.061 1.775 7.597 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.855 1.087 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.247 0.792 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.524 0.130 10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.253 -0.509 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.958 -1.536 8.509 1.00 0.00 H new ATOM 395 N LYS A 50 -10.881 3.616 9.685 1.00 0.00 N ATOM 396 CA LYS A 50 -10.231 4.794 10.321 1.00 0.00 C ATOM 397 C LYS A 50 -11.258 5.527 11.184 1.00 0.00 C ATOM 398 O LYS A 50 -10.937 6.075 12.220 1.00 0.00 O ATOM 399 CB LYS A 50 -9.708 5.738 9.236 1.00 0.00 C ATOM 400 CG LYS A 50 -8.636 5.023 8.410 1.00 0.00 C ATOM 401 CD LYS A 50 -8.080 5.982 7.355 1.00 0.00 C ATOM 402 CE LYS A 50 -7.071 5.243 6.475 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.572 6.162 5.413 1.00 0.00 N ATOM 0 H LYS A 50 -10.877 3.616 8.665 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.398 4.463 10.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.527 6.057 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.292 6.637 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.833 4.675 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.060 4.142 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.891 6.377 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.602 6.834 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.239 4.884 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.538 4.368 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.886 5.660 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.370 6.484 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.111 6.984 5.853 1.00 0.00 H new ATOM 404 N GLU A 51 -12.495 5.535 10.768 1.00 0.00 N ATOM 405 CA GLU A 51 -13.544 6.226 11.567 1.00 0.00 C ATOM 406 C GLU A 51 -13.578 5.626 12.973 1.00 0.00 C ATOM 407 O GLU A 51 -13.834 6.309 13.945 1.00 0.00 O ATOM 408 CB GLU A 51 -14.905 6.038 10.895 1.00 0.00 C ATOM 409 CG GLU A 51 -14.875 6.663 9.498 1.00 0.00 C ATOM 410 CD GLU A 51 -16.233 6.465 8.820 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.016 5.678 9.325 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.465 7.104 7.807 1.00 0.00 O ATOM 0 H GLU A 51 -12.824 5.093 9.910 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.319 7.291 11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.145 4.977 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.687 6.502 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.644 7.726 9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.088 6.204 8.900 1.00 0.00 H new ATOM 413 N ALA A 52 -13.315 4.353 13.088 1.00 0.00 N ATOM 414 CA ALA A 52 -13.325 3.711 14.431 1.00 0.00 C ATOM 415 C ALA A 52 -12.236 4.344 15.296 1.00 0.00 C ATOM 416 O ALA A 52 -12.354 4.425 16.504 1.00 0.00 O ATOM 417 CB ALA A 52 -13.055 2.212 14.283 1.00 0.00 C ATOM 0 H ALA A 52 -13.094 3.731 12.310 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.298 3.857 14.901 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.062 1.742 15.266 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.829 1.763 13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.081 2.062 13.817 1.00 0.00 H new ATOM 418 N LYS A 53 -11.177 4.801 14.687 1.00 0.00 N ATOM 419 CA LYS A 53 -10.080 5.435 15.469 1.00 0.00 C ATOM 420 C LYS A 53 -10.577 6.764 16.043 1.00 0.00 C ATOM 421 O LYS A 53 -10.186 7.172 17.119 1.00 0.00 O ATOM 422 CB LYS A 53 -8.880 5.692 14.554 1.00 0.00 C ATOM 423 CG LYS A 53 -8.291 4.356 14.097 1.00 0.00 C ATOM 424 CD LYS A 53 -7.014 4.612 13.294 1.00 0.00 C ATOM 425 CE LYS A 53 -6.495 3.290 12.725 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.023 3.200 12.940 1.00 0.00 N ATOM 0 H LYS A 53 -11.024 4.762 13.679 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.779 4.773 16.281 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.188 6.280 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.124 6.273 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.071 3.728 14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.015 3.816 13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.215 5.314 12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.256 5.068 13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.996 2.452 13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.722 3.226 11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.670 2.301 12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.553 3.993 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.818 3.243 13.959 1.00 0.00 H new