USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 LYS NZ :NH3+ -173:sc= 0.715 (180deg=-0.313) USER MOD Set 1.2: A 55 ASN : amide:sc= 1.06 K(o=1.8,f=-8.3!) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.174 K(o=0.59,f=-1.2!) USER MOD Set 2.2: A 44 HIS : no HE2:sc= 0.761 K(o=0.59,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.252 (180deg=-0.961) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.22 (180deg=0.555) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.806 K(o=0.81,f=-5.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.2! C(o=-2.2!,f=-7.3!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 30 THR OG1 : rot -28:sc= 1.36 USER MOD Single : A 32 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.17) USER MOD Single : A 34 THR OG1 : rot -27:sc= 1.12 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=-0.0016) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -84:sc= 0.995 USER MOD Single : A 72 SER OG : rot 74:sc= 1.28 USER MOD Single : A 77 GLN : amide:sc= -0.411 X(o=-0.41,f=0.053) USER MOD Single : A 78 HIS : no HD1:sc= -0.0705 X(o=-0.071,f=-0.071) USER MOD Single : A 83 MET CE :methyl -162:sc= -0.114 (180deg=-1.06) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= 1.34 (180deg=1.18) USER MOD Single : A 112 HIS : +bothHN:sc= 1.05 K(o=1.1,f=-5.4!) USER MOD Single : A 113 CYS SG : rot 47:sc= 1.27 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.130 -16.230 23.666 1.00 34.33 N ATOM 2 CA MET A 1 -1.039 -16.548 22.815 1.00 4.24 C ATOM 3 C MET A 1 -1.028 -15.688 21.563 1.00 43.50 C ATOM 4 O MET A 1 -0.773 -14.482 21.630 1.00 63.14 O ATOM 5 CB MET A 1 -2.355 -16.337 23.572 1.00 61.12 C ATOM 6 CG MET A 1 -2.563 -17.291 24.741 1.00 54.22 C ATOM 7 SD MET A 1 -1.440 -16.974 26.121 1.00 10.01 S ATOM 8 CE MET A 1 -1.928 -15.308 26.564 1.00 74.45 C ATOM 0 H1 MET A 1 -0.102 -16.425 24.661 1.00 34.33 H new ATOM 0 H2 MET A 1 0.939 -16.816 23.377 1.00 34.33 H new ATOM 0 H3 MET A 1 0.375 -15.225 23.558 1.00 34.33 H new ATOM 0 HA MET A 1 -0.968 -17.599 22.535 1.00 4.24 H new ATOM 0 HB2 MET A 1 -2.387 -15.313 23.943 1.00 61.12 H new ATOM 0 HB3 MET A 1 -3.185 -16.449 22.874 1.00 61.12 H new ATOM 0 HG2 MET A 1 -3.592 -17.209 25.091 1.00 54.22 H new ATOM 0 HG3 MET A 1 -2.425 -18.316 24.396 1.00 54.22 H new ATOM 0 HE1 MET A 1 -1.654 -15.112 27.601 1.00 74.45 H new ATOM 0 HE2 MET A 1 -1.421 -14.595 25.913 1.00 74.45 H new ATOM 0 HE3 MET A 1 -3.007 -15.202 26.448 1.00 74.45 H new ATOM 20 N VAL A 2 -1.303 -16.310 20.426 1.00 53.55 N ATOM 21 CA VAL A 2 -1.319 -15.610 19.150 1.00 23.51 C ATOM 22 C VAL A 2 -2.406 -14.539 19.140 1.00 14.32 C ATOM 23 O VAL A 2 -3.567 -14.817 19.440 1.00 2.44 O ATOM 24 CB VAL A 2 -1.549 -16.583 17.972 1.00 42.13 C ATOM 25 CG1 VAL A 2 -1.456 -15.857 16.635 1.00 40.52 C ATOM 26 CG2 VAL A 2 -0.558 -17.736 18.024 1.00 30.32 C ATOM 0 H VAL A 2 -1.519 -17.305 20.361 1.00 53.55 H new ATOM 0 HA VAL A 2 -0.343 -15.141 19.026 1.00 23.51 H new ATOM 0 HB VAL A 2 -2.556 -16.990 18.066 1.00 42.13 H new ATOM 0 HG11 VAL A 2 -1.622 -16.566 15.824 1.00 40.52 H new ATOM 0 HG12 VAL A 2 -2.213 -15.074 16.593 1.00 40.52 H new ATOM 0 HG13 VAL A 2 -0.467 -15.412 16.531 1.00 40.52 H new ATOM 0 HG21 VAL A 2 -0.738 -18.409 17.185 1.00 30.32 H new ATOM 0 HG22 VAL A 2 0.458 -17.346 17.964 1.00 30.32 H new ATOM 0 HG23 VAL A 2 -0.683 -18.281 18.960 1.00 30.32 H new ATOM 36 N LYS A 3 -2.014 -13.316 18.811 1.00 52.03 N ATOM 37 CA LYS A 3 -2.936 -12.193 18.788 1.00 42.13 C ATOM 38 C LYS A 3 -2.347 -11.075 17.932 1.00 33.22 C ATOM 39 O LYS A 3 -1.259 -11.226 17.378 1.00 53.03 O ATOM 40 CB LYS A 3 -3.204 -11.708 20.223 1.00 64.44 C ATOM 41 CG LYS A 3 -4.449 -10.840 20.377 1.00 20.43 C ATOM 42 CD LYS A 3 -5.690 -11.551 19.853 1.00 13.33 C ATOM 43 CE LYS A 3 -5.950 -12.851 20.601 1.00 50.13 C ATOM 44 NZ LYS A 3 -7.014 -13.663 19.956 1.00 63.24 N ATOM 0 H LYS A 3 -1.056 -13.077 18.555 1.00 52.03 H new ATOM 0 HA LYS A 3 -3.886 -12.502 18.352 1.00 42.13 H new ATOM 0 HB2 LYS A 3 -3.300 -12.577 20.874 1.00 64.44 H new ATOM 0 HB3 LYS A 3 -2.338 -11.144 20.570 1.00 64.44 H new ATOM 0 HG2 LYS A 3 -4.590 -10.586 21.428 1.00 20.43 H new ATOM 0 HG3 LYS A 3 -4.310 -9.903 19.838 1.00 20.43 H new ATOM 0 HD2 LYS A 3 -6.555 -10.895 19.952 1.00 13.33 H new ATOM 0 HD3 LYS A 3 -5.568 -11.760 18.790 1.00 13.33 H new ATOM 0 HE2 LYS A 3 -5.029 -13.432 20.648 1.00 50.13 H new ATOM 0 HE3 LYS A 3 -6.238 -12.627 21.628 1.00 50.13 H new ATOM 0 HZ1 LYS A 3 -7.159 -14.539 20.498 1.00 63.24 H new ATOM 0 HZ2 LYS A 3 -7.900 -13.119 19.934 1.00 63.24 H new ATOM 0 HZ3 LYS A 3 -6.729 -13.900 18.984 1.00 63.24 H new ATOM 58 N LEU A 4 -3.064 -9.968 17.817 1.00 44.01 N ATOM 59 CA LEU A 4 -2.604 -8.840 17.026 1.00 50.43 C ATOM 60 C LEU A 4 -1.587 -8.028 17.825 1.00 70.14 C ATOM 61 O LEU A 4 -1.896 -7.514 18.899 1.00 31.43 O ATOM 62 CB LEU A 4 -3.809 -7.973 16.623 1.00 71.42 C ATOM 63 CG LEU A 4 -3.628 -7.087 15.382 1.00 2.44 C ATOM 64 CD1 LEU A 4 -2.679 -5.932 15.660 1.00 60.32 C ATOM 65 CD2 LEU A 4 -3.131 -7.921 14.210 1.00 20.54 C ATOM 0 H LEU A 4 -3.970 -9.828 18.264 1.00 44.01 H new ATOM 0 HA LEU A 4 -2.116 -9.198 16.120 1.00 50.43 H new ATOM 0 HB2 LEU A 4 -4.661 -8.631 16.452 1.00 71.42 H new ATOM 0 HB3 LEU A 4 -4.066 -7.332 17.466 1.00 71.42 H new ATOM 0 HG LEU A 4 -4.598 -6.661 15.125 1.00 2.44 H new ATOM 0 HD11 LEU A 4 -2.573 -5.324 14.761 1.00 60.32 H new ATOM 0 HD12 LEU A 4 -3.079 -5.319 16.468 1.00 60.32 H new ATOM 0 HD13 LEU A 4 -1.704 -6.324 15.951 1.00 60.32 H new ATOM 0 HD21 LEU A 4 -3.006 -7.282 13.336 1.00 20.54 H new ATOM 0 HD22 LEU A 4 -2.174 -8.375 14.467 1.00 20.54 H new ATOM 0 HD23 LEU A 4 -3.856 -8.704 13.987 1.00 20.54 H new ATOM 77 N ALA A 5 -0.367 -7.944 17.309 1.00 52.23 N ATOM 78 CA ALA A 5 0.684 -7.170 17.949 1.00 63.34 C ATOM 79 C ALA A 5 0.721 -5.758 17.377 1.00 33.34 C ATOM 80 O ALA A 5 0.796 -5.578 16.161 1.00 54.33 O ATOM 81 CB ALA A 5 2.028 -7.857 17.771 1.00 21.44 C ATOM 0 H ALA A 5 -0.082 -8.405 16.445 1.00 52.23 H new ATOM 0 HA ALA A 5 0.472 -7.104 19.016 1.00 63.34 H new ATOM 0 HB1 ALA A 5 2.806 -7.266 18.255 1.00 21.44 H new ATOM 0 HB2 ALA A 5 1.992 -8.849 18.222 1.00 21.44 H new ATOM 0 HB3 ALA A 5 2.251 -7.949 16.708 1.00 21.44 H new ATOM 87 N PHE A 6 0.660 -4.764 18.253 1.00 42.22 N ATOM 88 CA PHE A 6 0.621 -3.373 17.828 1.00 53.25 C ATOM 89 C PHE A 6 1.295 -2.471 18.858 1.00 30.33 C ATOM 90 O PHE A 6 1.351 -2.809 20.045 1.00 21.55 O ATOM 91 CB PHE A 6 -0.835 -2.930 17.603 1.00 42.13 C ATOM 92 CG PHE A 6 -1.728 -3.096 18.809 1.00 44.51 C ATOM 93 CD1 PHE A 6 -2.406 -4.286 19.029 1.00 32.21 C ATOM 94 CD2 PHE A 6 -1.888 -2.063 19.721 1.00 5.53 C ATOM 95 CE1 PHE A 6 -3.226 -4.440 20.133 1.00 24.14 C ATOM 96 CE2 PHE A 6 -2.706 -2.212 20.824 1.00 42.51 C ATOM 97 CZ PHE A 6 -3.375 -3.402 21.031 1.00 2.10 C ATOM 0 H PHE A 6 0.636 -4.897 19.264 1.00 42.22 H new ATOM 0 HA PHE A 6 1.168 -3.285 16.889 1.00 53.25 H new ATOM 0 HB2 PHE A 6 -0.841 -1.882 17.302 1.00 42.13 H new ATOM 0 HB3 PHE A 6 -1.253 -3.502 16.775 1.00 42.13 H new ATOM 0 HD1 PHE A 6 -2.293 -5.102 18.330 1.00 32.21 H new ATOM 0 HD2 PHE A 6 -1.366 -1.130 19.567 1.00 5.53 H new ATOM 0 HE1 PHE A 6 -3.749 -5.371 20.292 1.00 24.14 H new ATOM 0 HE2 PHE A 6 -2.822 -1.398 21.524 1.00 42.51 H new ATOM 0 HZ PHE A 6 -4.014 -3.521 21.894 1.00 2.10 H new ATOM 107 N PRO A 7 1.838 -1.325 18.410 1.00 1.12 N ATOM 108 CA PRO A 7 2.411 -0.315 19.305 1.00 34.23 C ATOM 109 C PRO A 7 1.398 0.145 20.350 1.00 60.14 C ATOM 110 O PRO A 7 0.208 0.272 20.060 1.00 51.34 O ATOM 111 CB PRO A 7 2.775 0.837 18.366 1.00 2.41 C ATOM 112 CG PRO A 7 2.938 0.201 17.029 1.00 0.51 C ATOM 113 CD PRO A 7 1.956 -0.936 16.994 1.00 3.40 C ATOM 0 HA PRO A 7 3.263 -0.696 19.868 1.00 34.23 H new ATOM 0 HB2 PRO A 7 1.993 1.596 18.350 1.00 2.41 H new ATOM 0 HB3 PRO A 7 3.693 1.331 18.684 1.00 2.41 H new ATOM 0 HG2 PRO A 7 2.739 0.915 16.230 1.00 0.51 H new ATOM 0 HG3 PRO A 7 3.957 -0.158 16.889 1.00 0.51 H new ATOM 0 HD2 PRO A 7 0.996 -0.626 16.581 1.00 3.40 H new ATOM 0 HD3 PRO A 7 2.317 -1.760 16.379 1.00 3.40 H new ATOM 121 N ARG A 8 1.871 0.412 21.557 1.00 65.42 N ATOM 122 CA ARG A 8 0.980 0.719 22.667 1.00 3.12 C ATOM 123 C ARG A 8 0.399 2.125 22.548 1.00 75.23 C ATOM 124 O ARG A 8 -0.564 2.465 23.235 1.00 45.14 O ATOM 125 CB ARG A 8 1.708 0.555 24.003 1.00 43.40 C ATOM 126 CG ARG A 8 2.154 -0.873 24.290 1.00 72.34 C ATOM 127 CD ARG A 8 1.005 -1.862 24.149 1.00 23.42 C ATOM 128 NE ARG A 8 1.344 -3.187 24.675 1.00 50.21 N ATOM 129 CZ ARG A 8 1.481 -4.284 23.929 1.00 61.32 C ATOM 130 NH1 ARG A 8 1.379 -4.223 22.605 1.00 51.22 N ATOM 131 NH2 ARG A 8 1.736 -5.445 24.509 1.00 70.54 N ATOM 0 H ARG A 8 2.863 0.423 21.794 1.00 65.42 H new ATOM 0 HA ARG A 8 0.151 0.012 22.629 1.00 3.12 H new ATOM 0 HB2 ARG A 8 2.581 1.207 24.012 1.00 43.40 H new ATOM 0 HB3 ARG A 8 1.052 0.889 24.807 1.00 43.40 H new ATOM 0 HG2 ARG A 8 2.957 -1.148 23.606 1.00 72.34 H new ATOM 0 HG3 ARG A 8 2.562 -0.931 25.299 1.00 72.34 H new ATOM 0 HD2 ARG A 8 0.131 -1.478 24.675 1.00 23.42 H new ATOM 0 HD3 ARG A 8 0.731 -1.950 23.098 1.00 23.42 H new ATOM 0 HE ARG A 8 1.485 -3.277 25.681 1.00 50.21 H new ATOM 0 HH11 ARG A 8 1.194 -3.330 22.148 1.00 51.22 H new ATOM 0 HH12 ARG A 8 1.486 -5.069 22.046 1.00 51.22 H new ATOM 0 HH21 ARG A 8 1.827 -5.499 25.523 1.00 70.54 H new ATOM 0 HH22 ARG A 8 1.841 -6.286 23.942 1.00 70.54 H new ATOM 145 N GLU A 9 0.964 2.935 21.658 1.00 44.41 N ATOM 146 CA GLU A 9 0.474 4.292 21.443 1.00 14.40 C ATOM 147 C GLU A 9 -0.756 4.292 20.534 1.00 11.44 C ATOM 148 O GLU A 9 -1.204 5.345 20.082 1.00 22.21 O ATOM 149 CB GLU A 9 1.564 5.178 20.834 1.00 60.41 C ATOM 150 CG GLU A 9 2.901 5.082 21.550 1.00 61.42 C ATOM 151 CD GLU A 9 3.849 4.114 20.877 1.00 1.01 C ATOM 152 OE1 GLU A 9 3.594 2.890 20.922 1.00 42.44 O ATOM 153 OE2 GLU A 9 4.847 4.577 20.283 1.00 25.45 O ATOM 0 H GLU A 9 1.760 2.676 21.075 1.00 44.41 H new ATOM 0 HA GLU A 9 0.194 4.697 22.415 1.00 14.40 H new ATOM 0 HB2 GLU A 9 1.701 4.903 19.788 1.00 60.41 H new ATOM 0 HB3 GLU A 9 1.228 6.215 20.849 1.00 60.41 H new ATOM 0 HG2 GLU A 9 3.361 6.069 21.588 1.00 61.42 H new ATOM 0 HG3 GLU A 9 2.736 4.767 22.580 1.00 61.42 H new ATOM 160 N LEU A 10 -1.303 3.103 20.286 1.00 55.44 N ATOM 161 CA LEU A 10 -2.509 2.947 19.475 1.00 54.31 C ATOM 162 C LEU A 10 -3.697 3.614 20.178 1.00 32.34 C ATOM 163 O LEU A 10 -4.734 3.880 19.571 1.00 25.25 O ATOM 164 CB LEU A 10 -2.769 1.447 19.248 1.00 63.22 C ATOM 165 CG LEU A 10 -3.559 1.058 17.987 1.00 64.40 C ATOM 166 CD1 LEU A 10 -5.051 1.295 18.163 1.00 23.21 C ATOM 167 CD2 LEU A 10 -3.037 1.816 16.775 1.00 62.44 C ATOM 0 H LEU A 10 -0.925 2.224 20.640 1.00 55.44 H new ATOM 0 HA LEU A 10 -2.376 3.431 18.507 1.00 54.31 H new ATOM 0 HB2 LEU A 10 -1.806 0.938 19.215 1.00 63.22 H new ATOM 0 HB3 LEU A 10 -3.304 1.061 20.116 1.00 63.22 H new ATOM 0 HG LEU A 10 -3.413 -0.010 17.823 1.00 64.40 H new ATOM 0 HD11 LEU A 10 -5.575 1.008 17.251 1.00 23.21 H new ATOM 0 HD12 LEU A 10 -5.419 0.696 18.996 1.00 23.21 H new ATOM 0 HD13 LEU A 10 -5.230 2.351 18.368 1.00 23.21 H new ATOM 0 HD21 LEU A 10 -3.608 1.528 15.892 1.00 62.44 H new ATOM 0 HD22 LEU A 10 -3.144 2.888 16.942 1.00 62.44 H new ATOM 0 HD23 LEU A 10 -1.985 1.576 16.621 1.00 62.44 H new ATOM 179 N ARG A 11 -3.516 3.906 21.466 1.00 23.22 N ATOM 180 CA ARG A 11 -4.535 4.573 22.270 1.00 72.30 C ATOM 181 C ARG A 11 -4.848 5.959 21.711 1.00 60.02 C ATOM 182 O ARG A 11 -5.940 6.493 21.924 1.00 1.21 O ATOM 183 CB ARG A 11 -4.057 4.701 23.719 1.00 10.34 C ATOM 184 CG ARG A 11 -3.618 3.382 24.330 1.00 61.50 C ATOM 185 CD ARG A 11 -3.056 3.573 25.731 1.00 14.25 C ATOM 186 NE ARG A 11 -4.085 3.956 26.700 1.00 72.11 N ATOM 187 CZ ARG A 11 -3.828 4.289 27.968 1.00 23.12 C ATOM 188 NH1 ARG A 11 -2.573 4.417 28.385 1.00 11.11 N ATOM 189 NH2 ARG A 11 -4.830 4.543 28.805 1.00 41.24 N ATOM 0 H ARG A 11 -2.661 3.687 21.978 1.00 23.22 H new ATOM 0 HA ARG A 11 -5.443 3.971 22.237 1.00 72.30 H new ATOM 0 HB2 ARG A 11 -3.226 5.405 23.758 1.00 10.34 H new ATOM 0 HB3 ARG A 11 -4.861 5.122 24.323 1.00 10.34 H new ATOM 0 HG2 ARG A 11 -4.466 2.698 24.368 1.00 61.50 H new ATOM 0 HG3 ARG A 11 -2.863 2.919 23.694 1.00 61.50 H new ATOM 0 HD2 ARG A 11 -2.580 2.648 26.057 1.00 14.25 H new ATOM 0 HD3 ARG A 11 -2.281 4.339 25.707 1.00 14.25 H new ATOM 0 HE ARG A 11 -5.056 3.969 26.388 1.00 72.11 H new ATOM 0 HH11 ARG A 11 -1.802 4.261 27.736 1.00 11.11 H new ATOM 0 HH12 ARG A 11 -2.381 4.671 29.354 1.00 11.11 H new ATOM 0 HH21 ARG A 11 -5.795 4.484 28.479 1.00 41.24 H new ATOM 0 HH22 ARG A 11 -4.634 4.797 29.773 1.00 41.24 H new ATOM 203 N LEU A 12 -3.886 6.534 20.996 1.00 53.10 N ATOM 204 CA LEU A 12 -4.049 7.858 20.417 1.00 64.43 C ATOM 205 C LEU A 12 -4.426 7.730 18.945 1.00 61.14 C ATOM 206 O LEU A 12 -3.582 7.435 18.099 1.00 11.41 O ATOM 207 CB LEU A 12 -2.750 8.665 20.577 1.00 44.23 C ATOM 208 CG LEU A 12 -2.885 10.196 20.513 1.00 14.22 C ATOM 209 CD1 LEU A 12 -1.575 10.853 20.914 1.00 11.31 C ATOM 210 CD2 LEU A 12 -3.293 10.663 19.124 1.00 73.15 C ATOM 0 H LEU A 12 -2.983 6.100 20.805 1.00 53.10 H new ATOM 0 HA LEU A 12 -4.847 8.386 20.938 1.00 64.43 H new ATOM 0 HB2 LEU A 12 -2.299 8.401 21.534 1.00 44.23 H new ATOM 0 HB3 LEU A 12 -2.054 8.350 19.799 1.00 44.23 H new ATOM 0 HG LEU A 12 -3.669 10.490 21.211 1.00 14.22 H new ATOM 0 HD11 LEU A 12 -1.682 11.937 20.865 1.00 11.31 H new ATOM 0 HD12 LEU A 12 -1.317 10.559 21.931 1.00 11.31 H new ATOM 0 HD13 LEU A 12 -0.785 10.535 20.233 1.00 11.31 H new ATOM 0 HD21 LEU A 12 -3.379 11.750 19.116 1.00 73.15 H new ATOM 0 HD22 LEU A 12 -2.539 10.353 18.400 1.00 73.15 H new ATOM 0 HD23 LEU A 12 -4.254 10.221 18.859 1.00 73.15 H new ATOM 222 N LEU A 13 -5.697 7.945 18.649 1.00 13.51 N ATOM 223 CA LEU A 13 -6.181 7.857 17.281 1.00 62.23 C ATOM 224 C LEU A 13 -6.078 9.214 16.597 1.00 1.23 C ATOM 225 O LEU A 13 -6.791 10.154 16.949 1.00 75.34 O ATOM 226 CB LEU A 13 -7.634 7.358 17.233 1.00 71.54 C ATOM 227 CG LEU A 13 -7.850 5.875 17.569 1.00 23.25 C ATOM 228 CD1 LEU A 13 -7.666 5.612 19.056 1.00 65.20 C ATOM 229 CD2 LEU A 13 -9.230 5.428 17.116 1.00 31.31 C ATOM 0 H LEU A 13 -6.412 8.182 19.337 1.00 13.51 H new ATOM 0 HA LEU A 13 -5.556 7.138 16.752 1.00 62.23 H new ATOM 0 HB2 LEU A 13 -8.225 7.957 17.926 1.00 71.54 H new ATOM 0 HB3 LEU A 13 -8.028 7.544 16.234 1.00 71.54 H new ATOM 0 HG LEU A 13 -7.098 5.295 17.033 1.00 23.25 H new ATOM 0 HD11 LEU A 13 -7.826 4.553 19.261 1.00 65.20 H new ATOM 0 HD12 LEU A 13 -6.655 5.890 19.352 1.00 65.20 H new ATOM 0 HD13 LEU A 13 -8.386 6.204 19.622 1.00 65.20 H new ATOM 0 HD21 LEU A 13 -9.370 4.375 17.360 1.00 31.31 H new ATOM 0 HD22 LEU A 13 -9.990 6.022 17.624 1.00 31.31 H new ATOM 0 HD23 LEU A 13 -9.322 5.566 16.039 1.00 31.31 H new ATOM 241 N THR A 14 -5.178 9.320 15.633 1.00 64.51 N ATOM 242 CA THR A 14 -5.011 10.548 14.881 1.00 41.50 C ATOM 243 C THR A 14 -5.955 10.583 13.682 1.00 41.21 C ATOM 244 O THR A 14 -6.117 9.583 12.980 1.00 13.45 O ATOM 245 CB THR A 14 -3.554 10.716 14.409 1.00 45.03 C ATOM 246 OG1 THR A 14 -3.031 9.454 13.976 1.00 12.02 O ATOM 247 CG2 THR A 14 -2.682 11.276 15.520 1.00 71.41 C ATOM 0 H THR A 14 -4.551 8.566 15.354 1.00 64.51 H new ATOM 0 HA THR A 14 -5.257 11.377 15.545 1.00 41.50 H new ATOM 0 HB THR A 14 -3.546 11.419 13.576 1.00 45.03 H new ATOM 0 HG1 THR A 14 -2.105 9.569 13.676 1.00 12.02 H new ATOM 0 HG21 THR A 14 -1.659 11.384 15.160 1.00 71.41 H new ATOM 0 HG22 THR A 14 -3.064 12.250 15.827 1.00 71.41 H new ATOM 0 HG23 THR A 14 -2.697 10.596 16.372 1.00 71.41 H new ATOM 255 N PRO A 15 -6.620 11.728 13.459 1.00 2.43 N ATOM 256 CA PRO A 15 -7.523 11.912 12.318 1.00 31.13 C ATOM 257 C PRO A 15 -6.808 11.693 10.986 1.00 65.03 C ATOM 258 O PRO A 15 -7.365 11.108 10.054 1.00 52.03 O ATOM 259 CB PRO A 15 -7.987 13.367 12.451 1.00 51.32 C ATOM 260 CG PRO A 15 -7.763 13.713 13.882 1.00 62.10 C ATOM 261 CD PRO A 15 -6.552 12.929 14.307 1.00 64.53 C ATOM 0 HA PRO A 15 -8.345 11.196 12.326 1.00 31.13 H new ATOM 0 HB2 PRO A 15 -7.419 14.024 11.792 1.00 51.32 H new ATOM 0 HB3 PRO A 15 -9.037 13.473 12.179 1.00 51.32 H new ATOM 0 HG2 PRO A 15 -7.599 14.784 14.005 1.00 62.10 H new ATOM 0 HG3 PRO A 15 -8.631 13.452 14.488 1.00 62.10 H new ATOM 0 HD2 PRO A 15 -5.631 13.488 14.142 1.00 64.53 H new ATOM 0 HD3 PRO A 15 -6.586 12.677 15.367 1.00 64.53 H new ATOM 269 N SER A 16 -5.568 12.157 10.909 1.00 35.14 N ATOM 270 CA SER A 16 -4.756 11.970 9.721 1.00 23.21 C ATOM 271 C SER A 16 -4.144 10.574 9.729 1.00 30.43 C ATOM 272 O SER A 16 -3.165 10.319 10.432 1.00 0.21 O ATOM 273 CB SER A 16 -3.654 13.032 9.669 1.00 65.22 C ATOM 274 OG SER A 16 -4.185 14.323 9.930 1.00 34.42 O ATOM 0 H SER A 16 -5.104 12.667 11.660 1.00 35.14 H new ATOM 0 HA SER A 16 -5.385 12.075 8.837 1.00 23.21 H new ATOM 0 HB2 SER A 16 -2.881 12.797 10.401 1.00 65.22 H new ATOM 0 HB3 SER A 16 -3.178 13.021 8.688 1.00 65.22 H new ATOM 0 HG SER A 16 -3.465 14.986 9.894 1.00 34.42 H new ATOM 280 N GLN A 17 -4.732 9.669 8.954 1.00 23.11 N ATOM 281 CA GLN A 17 -4.271 8.285 8.919 1.00 51.02 C ATOM 282 C GLN A 17 -2.841 8.188 8.396 1.00 73.21 C ATOM 283 O GLN A 17 -2.151 7.208 8.660 1.00 62.15 O ATOM 284 CB GLN A 17 -5.207 7.414 8.079 1.00 23.52 C ATOM 285 CG GLN A 17 -6.578 7.216 8.708 1.00 44.13 C ATOM 286 CD GLN A 17 -7.411 6.176 7.984 1.00 45.31 C ATOM 287 OE1 GLN A 17 -7.289 5.993 6.773 1.00 75.31 O ATOM 288 NE2 GLN A 17 -8.264 5.484 8.724 1.00 74.13 N ATOM 0 H GLN A 17 -5.525 9.867 8.344 1.00 23.11 H new ATOM 0 HA GLN A 17 -4.282 7.913 9.943 1.00 51.02 H new ATOM 0 HB2 GLN A 17 -5.329 7.869 7.096 1.00 23.52 H new ATOM 0 HB3 GLN A 17 -4.743 6.440 7.924 1.00 23.52 H new ATOM 0 HG2 GLN A 17 -6.456 6.917 9.749 1.00 44.13 H new ATOM 0 HG3 GLN A 17 -7.112 8.166 8.710 1.00 44.13 H new ATOM 0 HE21 GLN A 17 -8.335 5.666 9.725 1.00 74.13 H new ATOM 0 HE22 GLN A 17 -8.850 4.769 8.293 1.00 74.13 H new ATOM 297 N PHE A 18 -2.397 9.218 7.681 1.00 5.31 N ATOM 298 CA PHE A 18 -1.020 9.280 7.196 1.00 70.04 C ATOM 299 C PHE A 18 -0.041 9.230 8.371 1.00 53.44 C ATOM 300 O PHE A 18 1.050 8.675 8.266 1.00 40.34 O ATOM 301 CB PHE A 18 -0.811 10.561 6.381 1.00 33.12 C ATOM 302 CG PHE A 18 0.557 10.684 5.771 1.00 12.34 C ATOM 303 CD1 PHE A 18 0.882 9.987 4.618 1.00 42.23 C ATOM 304 CD2 PHE A 18 1.517 11.498 6.350 1.00 44.21 C ATOM 305 CE1 PHE A 18 2.138 10.102 4.054 1.00 33.11 C ATOM 306 CE2 PHE A 18 2.773 11.616 5.792 1.00 51.14 C ATOM 307 CZ PHE A 18 3.085 10.917 4.643 1.00 41.22 C ATOM 0 H PHE A 18 -2.970 10.022 7.424 1.00 5.31 H new ATOM 0 HA PHE A 18 -0.832 8.420 6.554 1.00 70.04 H new ATOM 0 HB2 PHE A 18 -1.556 10.599 5.586 1.00 33.12 H new ATOM 0 HB3 PHE A 18 -0.988 11.422 7.026 1.00 33.12 H new ATOM 0 HD1 PHE A 18 0.145 9.347 4.155 1.00 42.23 H new ATOM 0 HD2 PHE A 18 1.279 12.047 7.249 1.00 44.21 H new ATOM 0 HE1 PHE A 18 2.379 9.556 3.154 1.00 33.11 H new ATOM 0 HE2 PHE A 18 3.512 12.255 6.254 1.00 51.14 H new ATOM 0 HZ PHE A 18 4.068 11.007 4.205 1.00 41.22 H new ATOM 317 N THR A 19 -0.447 9.806 9.494 1.00 0.25 N ATOM 318 CA THR A 19 0.369 9.799 10.694 1.00 51.30 C ATOM 319 C THR A 19 0.028 8.585 11.560 1.00 71.32 C ATOM 320 O THR A 19 0.865 8.080 12.312 1.00 64.14 O ATOM 321 CB THR A 19 0.145 11.090 11.504 1.00 53.40 C ATOM 322 OG1 THR A 19 0.141 12.218 10.617 1.00 34.40 O ATOM 323 CG2 THR A 19 1.234 11.273 12.554 1.00 24.25 C ATOM 0 H THR A 19 -1.341 10.286 9.596 1.00 0.25 H new ATOM 0 HA THR A 19 1.416 9.744 10.396 1.00 51.30 H new ATOM 0 HB THR A 19 -0.815 11.014 12.014 1.00 53.40 H new ATOM 0 HG1 THR A 19 -0.003 13.039 11.132 1.00 34.40 H new ATOM 0 HG21 THR A 19 1.051 12.192 13.111 1.00 24.25 H new ATOM 0 HG22 THR A 19 1.225 10.425 13.239 1.00 24.25 H new ATOM 0 HG23 THR A 19 2.206 11.333 12.064 1.00 24.25 H new ATOM 331 N PHE A 20 -1.201 8.105 11.418 1.00 45.42 N ATOM 332 CA PHE A 20 -1.699 6.991 12.213 1.00 53.33 C ATOM 333 C PHE A 20 -1.054 5.673 11.771 1.00 25.12 C ATOM 334 O PHE A 20 -1.040 4.694 12.516 1.00 41.21 O ATOM 335 CB PHE A 20 -3.228 6.916 12.092 1.00 10.20 C ATOM 336 CG PHE A 20 -3.907 6.183 13.221 1.00 73.24 C ATOM 337 CD1 PHE A 20 -3.272 6.007 14.444 1.00 23.04 C ATOM 338 CD2 PHE A 20 -5.189 5.684 13.064 1.00 54.40 C ATOM 339 CE1 PHE A 20 -3.903 5.344 15.479 1.00 14.12 C ATOM 340 CE2 PHE A 20 -5.823 5.019 14.097 1.00 32.22 C ATOM 341 CZ PHE A 20 -5.178 4.850 15.305 1.00 62.20 C ATOM 0 H PHE A 20 -1.878 8.476 10.751 1.00 45.42 H new ATOM 0 HA PHE A 20 -1.433 7.156 13.257 1.00 53.33 H new ATOM 0 HB2 PHE A 20 -3.626 7.929 12.041 1.00 10.20 H new ATOM 0 HB3 PHE A 20 -3.482 6.426 11.152 1.00 10.20 H new ATOM 0 HD1 PHE A 20 -2.274 6.393 14.587 1.00 23.04 H new ATOM 0 HD2 PHE A 20 -5.700 5.816 12.122 1.00 54.40 H new ATOM 0 HE1 PHE A 20 -3.397 5.213 16.424 1.00 14.12 H new ATOM 0 HE2 PHE A 20 -6.822 4.632 13.959 1.00 32.22 H new ATOM 0 HZ PHE A 20 -5.672 4.331 16.113 1.00 62.20 H new ATOM 351 N VAL A 21 -0.519 5.657 10.554 1.00 62.03 N ATOM 352 CA VAL A 21 0.179 4.483 10.038 1.00 45.14 C ATOM 353 C VAL A 21 1.684 4.599 10.269 1.00 74.53 C ATOM 354 O VAL A 21 2.431 3.642 10.065 1.00 33.11 O ATOM 355 CB VAL A 21 -0.074 4.284 8.525 1.00 32.20 C ATOM 356 CG1 VAL A 21 -1.556 4.119 8.239 1.00 62.30 C ATOM 357 CG2 VAL A 21 0.498 5.443 7.722 1.00 24.41 C ATOM 0 H VAL A 21 -0.555 6.444 9.906 1.00 62.03 H new ATOM 0 HA VAL A 21 -0.215 3.623 10.580 1.00 45.14 H new ATOM 0 HB VAL A 21 0.436 3.371 8.219 1.00 32.20 H new ATOM 0 HG11 VAL A 21 -1.707 3.981 7.168 1.00 62.30 H new ATOM 0 HG12 VAL A 21 -1.935 3.248 8.774 1.00 62.30 H new ATOM 0 HG13 VAL A 21 -2.092 5.009 8.569 1.00 62.30 H new ATOM 0 HG21 VAL A 21 0.307 5.280 6.661 1.00 24.41 H new ATOM 0 HG22 VAL A 21 0.024 6.373 8.037 1.00 24.41 H new ATOM 0 HG23 VAL A 21 1.573 5.508 7.892 1.00 24.41 H new ATOM 367 N PHE A 22 2.115 5.768 10.728 1.00 72.25 N ATOM 368 CA PHE A 22 3.537 6.075 10.822 1.00 52.32 C ATOM 369 C PHE A 22 4.134 5.562 12.136 1.00 32.22 C ATOM 370 O PHE A 22 5.278 5.865 12.476 1.00 43.11 O ATOM 371 CB PHE A 22 3.750 7.588 10.686 1.00 31.22 C ATOM 372 CG PHE A 22 5.142 7.973 10.268 1.00 55.41 C ATOM 373 CD1 PHE A 22 5.584 7.716 8.980 1.00 35.52 C ATOM 374 CD2 PHE A 22 6.002 8.597 11.155 1.00 24.11 C ATOM 375 CE1 PHE A 22 6.858 8.073 8.586 1.00 21.31 C ATOM 376 CE2 PHE A 22 7.278 8.955 10.767 1.00 20.04 C ATOM 377 CZ PHE A 22 7.707 8.693 9.481 1.00 13.01 C ATOM 0 H PHE A 22 1.500 6.519 11.041 1.00 72.25 H new ATOM 0 HA PHE A 22 4.053 5.566 10.008 1.00 52.32 H new ATOM 0 HB2 PHE A 22 3.041 7.981 9.957 1.00 31.22 H new ATOM 0 HB3 PHE A 22 3.523 8.064 11.640 1.00 31.22 H new ATOM 0 HD1 PHE A 22 4.924 7.231 8.276 1.00 35.52 H new ATOM 0 HD2 PHE A 22 5.671 8.806 12.162 1.00 24.11 H new ATOM 0 HE1 PHE A 22 7.190 7.868 7.579 1.00 21.31 H new ATOM 0 HE2 PHE A 22 7.940 9.440 11.469 1.00 20.04 H new ATOM 0 HZ PHE A 22 8.705 8.972 9.176 1.00 13.01 H new ATOM 387 N GLN A 23 3.357 4.778 12.871 1.00 23.13 N ATOM 388 CA GLN A 23 3.842 4.172 14.104 1.00 61.33 C ATOM 389 C GLN A 23 4.765 2.998 13.794 1.00 55.32 C ATOM 390 O GLN A 23 5.911 2.958 14.244 1.00 65.43 O ATOM 391 CB GLN A 23 2.675 3.717 14.986 1.00 44.14 C ATOM 392 CG GLN A 23 1.875 4.862 15.595 1.00 14.31 C ATOM 393 CD GLN A 23 2.692 5.707 16.562 1.00 21.14 C ATOM 394 OE1 GLN A 23 3.902 5.864 16.410 1.00 61.12 O ATOM 395 NE2 GLN A 23 2.035 6.248 17.574 1.00 33.22 N ATOM 0 H GLN A 23 2.392 4.547 12.636 1.00 23.13 H new ATOM 0 HA GLN A 23 4.408 4.925 14.652 1.00 61.33 H new ATOM 0 HB2 GLN A 23 2.005 3.095 14.392 1.00 44.14 H new ATOM 0 HB3 GLN A 23 3.063 3.091 15.789 1.00 44.14 H new ATOM 0 HG2 GLN A 23 1.495 5.499 14.796 1.00 14.31 H new ATOM 0 HG3 GLN A 23 1.009 4.456 16.118 1.00 14.31 H new ATOM 0 HE21 GLN A 23 1.031 6.097 17.669 1.00 33.22 H new ATOM 0 HE22 GLN A 23 2.532 6.816 18.259 1.00 33.22 H new ATOM 404 N GLN A 24 4.268 2.056 13.005 1.00 20.34 N ATOM 405 CA GLN A 24 5.060 0.910 12.591 1.00 20.11 C ATOM 406 C GLN A 24 4.505 0.328 11.294 1.00 32.52 C ATOM 407 O GLN A 24 3.618 -0.527 11.318 1.00 24.32 O ATOM 408 CB GLN A 24 5.080 -0.163 13.685 1.00 12.11 C ATOM 409 CG GLN A 24 6.075 -1.281 13.415 1.00 14.11 C ATOM 410 CD GLN A 24 5.949 -2.433 14.395 1.00 42.20 C ATOM 411 OE1 GLN A 24 5.542 -2.251 15.542 1.00 72.40 O ATOM 412 NE2 GLN A 24 6.311 -3.629 13.953 1.00 43.32 N ATOM 0 H GLN A 24 3.316 2.065 12.638 1.00 20.34 H new ATOM 0 HA GLN A 24 6.083 1.245 12.421 1.00 20.11 H new ATOM 0 HB2 GLN A 24 5.321 0.306 14.639 1.00 12.11 H new ATOM 0 HB3 GLN A 24 4.082 -0.590 13.783 1.00 12.11 H new ATOM 0 HG2 GLN A 24 5.928 -1.655 12.402 1.00 14.11 H new ATOM 0 HG3 GLN A 24 7.087 -0.879 13.463 1.00 14.11 H new ATOM 0 HE21 GLN A 24 6.643 -3.740 12.995 1.00 43.32 H new ATOM 0 HE22 GLN A 24 6.257 -4.439 14.571 1.00 43.32 H new ATOM 421 N PRO A 25 4.976 0.830 10.145 1.00 72.12 N ATOM 422 CA PRO A 25 4.572 0.331 8.839 1.00 73.41 C ATOM 423 C PRO A 25 5.431 -0.851 8.394 1.00 2.54 C ATOM 424 O PRO A 25 6.663 -0.797 8.463 1.00 45.31 O ATOM 425 CB PRO A 25 4.787 1.538 7.910 1.00 61.44 C ATOM 426 CG PRO A 25 5.483 2.590 8.729 1.00 34.50 C ATOM 427 CD PRO A 25 5.918 1.939 10.014 1.00 4.22 C ATOM 0 HA PRO A 25 3.547 -0.039 8.837 1.00 73.41 H new ATOM 0 HB2 PRO A 25 5.389 1.259 7.045 1.00 61.44 H new ATOM 0 HB3 PRO A 25 3.835 1.909 7.530 1.00 61.44 H new ATOM 0 HG2 PRO A 25 6.342 2.990 8.191 1.00 34.50 H new ATOM 0 HG3 PRO A 25 4.814 3.427 8.929 1.00 34.50 H new ATOM 0 HD2 PRO A 25 6.950 1.591 9.963 1.00 4.22 H new ATOM 0 HD3 PRO A 25 5.855 2.626 10.858 1.00 4.22 H new ATOM 435 N GLN A 26 4.784 -1.920 7.950 1.00 45.42 N ATOM 436 CA GLN A 26 5.505 -3.086 7.463 1.00 13.44 C ATOM 437 C GLN A 26 5.925 -2.876 6.011 1.00 21.43 C ATOM 438 O GLN A 26 5.115 -2.493 5.161 1.00 71.52 O ATOM 439 CB GLN A 26 4.661 -4.362 7.610 1.00 51.35 C ATOM 440 CG GLN A 26 3.329 -4.322 6.877 1.00 72.33 C ATOM 441 CD GLN A 26 2.515 -5.588 7.070 1.00 54.21 C ATOM 442 OE1 GLN A 26 2.614 -6.261 8.095 1.00 45.14 O ATOM 443 NE2 GLN A 26 1.698 -5.923 6.084 1.00 42.30 N ATOM 0 H GLN A 26 3.768 -2.003 7.917 1.00 45.42 H new ATOM 0 HA GLN A 26 6.401 -3.213 8.070 1.00 13.44 H new ATOM 0 HB2 GLN A 26 5.239 -5.210 7.242 1.00 51.35 H new ATOM 0 HB3 GLN A 26 4.474 -4.539 8.669 1.00 51.35 H new ATOM 0 HG2 GLN A 26 2.752 -3.467 7.228 1.00 72.33 H new ATOM 0 HG3 GLN A 26 3.509 -4.170 5.813 1.00 72.33 H new ATOM 0 HE21 GLN A 26 1.642 -5.341 5.248 1.00 42.30 H new ATOM 0 HE22 GLN A 26 1.125 -6.763 6.160 1.00 42.30 H new ATOM 452 N ARG A 27 7.204 -3.093 5.748 1.00 4.24 N ATOM 453 CA ARG A 27 7.759 -2.926 4.415 1.00 44.34 C ATOM 454 C ARG A 27 7.274 -4.034 3.488 1.00 23.13 C ATOM 455 O ARG A 27 7.704 -5.183 3.600 1.00 44.30 O ATOM 456 CB ARG A 27 9.287 -2.927 4.481 1.00 61.02 C ATOM 457 CG ARG A 27 9.937 -1.623 4.036 1.00 72.12 C ATOM 458 CD ARG A 27 9.673 -1.347 2.566 1.00 23.41 C ATOM 459 NE ARG A 27 10.471 -0.231 2.062 1.00 54.25 N ATOM 460 CZ ARG A 27 10.893 -0.129 0.803 1.00 25.34 C ATOM 461 NH1 ARG A 27 10.561 -1.051 -0.091 1.00 62.40 N ATOM 462 NH2 ARG A 27 11.656 0.891 0.442 1.00 55.41 N ATOM 0 H ARG A 27 7.883 -3.388 6.449 1.00 4.24 H new ATOM 0 HA ARG A 27 7.420 -1.970 4.016 1.00 44.34 H new ATOM 0 HB2 ARG A 27 9.594 -3.141 5.505 1.00 61.02 H new ATOM 0 HB3 ARG A 27 9.665 -3.738 3.859 1.00 61.02 H new ATOM 0 HG2 ARG A 27 9.553 -0.799 4.637 1.00 72.12 H new ATOM 0 HG3 ARG A 27 11.012 -1.672 4.212 1.00 72.12 H new ATOM 0 HD2 ARG A 27 9.895 -2.242 1.984 1.00 23.41 H new ATOM 0 HD3 ARG A 27 8.615 -1.128 2.423 1.00 23.41 H new ATOM 0 HE ARG A 27 10.719 0.514 2.713 1.00 54.25 H new ATOM 0 HH11 ARG A 27 9.980 -1.843 0.185 1.00 62.40 H new ATOM 0 HH12 ARG A 27 10.887 -0.968 -1.054 1.00 62.40 H new ATOM 0 HH21 ARG A 27 11.920 1.598 1.128 1.00 55.41 H new ATOM 0 HH22 ARG A 27 11.980 0.970 -0.522 1.00 55.41 H new ATOM 476 N ALA A 28 6.365 -3.687 2.589 1.00 22.30 N ATOM 477 CA ALA A 28 5.841 -4.645 1.632 1.00 23.33 C ATOM 478 C ALA A 28 5.483 -3.962 0.314 1.00 31.42 C ATOM 479 O ALA A 28 4.312 -3.876 -0.057 1.00 0.35 O ATOM 480 CB ALA A 28 4.627 -5.360 2.210 1.00 10.30 C ATOM 0 H ALA A 28 5.976 -2.748 2.504 1.00 22.30 H new ATOM 0 HA ALA A 28 6.617 -5.383 1.429 1.00 23.33 H new ATOM 0 HB1 ALA A 28 4.245 -6.075 1.481 1.00 10.30 H new ATOM 0 HB2 ALA A 28 4.914 -5.887 3.120 1.00 10.30 H new ATOM 0 HB3 ALA A 28 3.852 -4.630 2.443 1.00 10.30 H new ATOM 486 N GLY A 29 6.496 -3.473 -0.383 1.00 33.41 N ATOM 487 CA GLY A 29 6.275 -2.810 -1.654 1.00 12.12 C ATOM 488 C GLY A 29 7.487 -2.887 -2.553 1.00 1.32 C ATOM 489 O GLY A 29 8.352 -3.746 -2.366 1.00 21.13 O ATOM 0 H GLY A 29 7.472 -3.523 -0.091 1.00 33.41 H new ATOM 0 HA2 GLY A 29 5.422 -3.266 -2.157 1.00 12.12 H new ATOM 0 HA3 GLY A 29 6.020 -1.765 -1.478 1.00 12.12 H new ATOM 493 N THR A 30 7.552 -1.994 -3.524 1.00 45.13 N ATOM 494 CA THR A 30 8.678 -1.951 -4.443 1.00 74.32 C ATOM 495 C THR A 30 9.366 -0.590 -4.367 1.00 4.41 C ATOM 496 O THR A 30 8.818 0.349 -3.785 1.00 12.45 O ATOM 497 CB THR A 30 8.228 -2.218 -5.897 1.00 2.11 C ATOM 498 OG1 THR A 30 7.257 -1.245 -6.300 1.00 71.20 O ATOM 499 CG2 THR A 30 7.645 -3.615 -6.044 1.00 70.12 C ATOM 0 H THR A 30 6.838 -1.287 -3.698 1.00 45.13 H new ATOM 0 HA THR A 30 9.377 -2.734 -4.149 1.00 74.32 H new ATOM 0 HB THR A 30 9.106 -2.142 -6.539 1.00 2.11 H new ATOM 0 HG1 THR A 30 6.768 -0.925 -5.513 1.00 71.20 H new ATOM 0 HG21 THR A 30 7.337 -3.774 -7.077 1.00 70.12 H new ATOM 0 HG22 THR A 30 8.398 -4.354 -5.772 1.00 70.12 H new ATOM 0 HG23 THR A 30 6.781 -3.720 -5.388 1.00 70.12 H new ATOM 507 N PRO A 31 10.576 -0.463 -4.940 1.00 51.03 N ATOM 508 CA PRO A 31 11.305 0.812 -4.974 1.00 74.12 C ATOM 509 C PRO A 31 10.598 1.859 -5.835 1.00 63.10 C ATOM 510 O PRO A 31 10.811 3.061 -5.669 1.00 33.43 O ATOM 511 CB PRO A 31 12.658 0.447 -5.596 1.00 4.42 C ATOM 512 CG PRO A 31 12.754 -1.037 -5.498 1.00 41.12 C ATOM 513 CD PRO A 31 11.345 -1.544 -5.577 1.00 53.42 C ATOM 0 HA PRO A 31 11.385 1.254 -3.981 1.00 74.12 H new ATOM 0 HB2 PRO A 31 12.715 0.776 -6.634 1.00 4.42 H new ATOM 0 HB3 PRO A 31 13.478 0.929 -5.063 1.00 4.42 H new ATOM 0 HG2 PRO A 31 13.362 -1.444 -6.306 1.00 41.12 H new ATOM 0 HG3 PRO A 31 13.226 -1.337 -4.562 1.00 41.12 H new ATOM 0 HD2 PRO A 31 11.032 -1.711 -6.608 1.00 53.42 H new ATOM 0 HD3 PRO A 31 11.225 -2.491 -5.050 1.00 53.42 H new ATOM 521 N GLN A 32 9.763 1.391 -6.759 1.00 21.24 N ATOM 522 CA GLN A 32 9.024 2.279 -7.649 1.00 62.04 C ATOM 523 C GLN A 32 7.717 2.721 -6.992 1.00 71.01 C ATOM 524 O GLN A 32 7.291 3.869 -7.134 1.00 43.50 O ATOM 525 CB GLN A 32 8.733 1.575 -8.980 1.00 21.04 C ATOM 526 CG GLN A 32 8.221 2.508 -10.070 1.00 2.04 C ATOM 527 CD GLN A 32 9.227 3.582 -10.438 1.00 11.12 C ATOM 528 OE1 GLN A 32 10.062 3.393 -11.325 1.00 21.15 O ATOM 529 NE2 GLN A 32 9.152 4.713 -9.756 1.00 12.53 N ATOM 0 H GLN A 32 9.582 0.399 -6.910 1.00 21.24 H new ATOM 0 HA GLN A 32 9.634 3.161 -7.844 1.00 62.04 H new ATOM 0 HB2 GLN A 32 9.644 1.088 -9.330 1.00 21.04 H new ATOM 0 HB3 GLN A 32 7.996 0.790 -8.811 1.00 21.04 H new ATOM 0 HG2 GLN A 32 7.977 1.924 -10.958 1.00 2.04 H new ATOM 0 HG3 GLN A 32 7.297 2.980 -9.735 1.00 2.04 H new ATOM 0 HE21 GLN A 32 8.444 4.825 -9.030 1.00 12.53 H new ATOM 0 HE22 GLN A 32 9.802 5.473 -9.956 1.00 12.53 H new ATOM 538 N ILE A 33 7.082 1.796 -6.285 1.00 13.21 N ATOM 539 CA ILE A 33 5.859 2.089 -5.552 1.00 12.44 C ATOM 540 C ILE A 33 5.783 1.220 -4.294 1.00 2.23 C ATOM 541 O ILE A 33 5.768 -0.014 -4.365 1.00 71.33 O ATOM 542 CB ILE A 33 4.600 1.902 -6.439 1.00 65.30 C ATOM 543 CG1 ILE A 33 3.327 2.180 -5.639 1.00 35.54 C ATOM 544 CG2 ILE A 33 4.556 0.507 -7.055 1.00 73.05 C ATOM 545 CD1 ILE A 33 2.070 2.181 -6.482 1.00 21.11 C ATOM 0 H ILE A 33 7.397 0.829 -6.204 1.00 13.21 H new ATOM 0 HA ILE A 33 5.884 3.137 -5.253 1.00 12.44 H new ATOM 0 HB ILE A 33 4.659 2.624 -7.254 1.00 65.30 H new ATOM 0 HG12 ILE A 33 3.229 1.428 -4.856 1.00 35.54 H new ATOM 0 HG13 ILE A 33 3.423 3.146 -5.143 1.00 35.54 H new ATOM 0 HG21 ILE A 33 3.662 0.409 -7.670 1.00 73.05 H new ATOM 0 HG22 ILE A 33 5.441 0.354 -7.673 1.00 73.05 H new ATOM 0 HG23 ILE A 33 4.534 -0.240 -6.262 1.00 73.05 H new ATOM 0 HD11 ILE A 33 1.207 2.385 -5.848 1.00 21.11 H new ATOM 0 HD12 ILE A 33 2.147 2.952 -7.249 1.00 21.11 H new ATOM 0 HD13 ILE A 33 1.950 1.207 -6.957 1.00 21.11 H new ATOM 557 N THR A 34 5.764 1.863 -3.138 1.00 34.15 N ATOM 558 CA THR A 34 5.847 1.151 -1.875 1.00 23.41 C ATOM 559 C THR A 34 4.500 1.122 -1.159 1.00 70.12 C ATOM 560 O THR A 34 3.938 2.162 -0.824 1.00 73.34 O ATOM 561 CB THR A 34 6.902 1.795 -0.956 1.00 75.41 C ATOM 562 OG1 THR A 34 8.124 1.985 -1.682 1.00 52.25 O ATOM 563 CG2 THR A 34 7.169 0.924 0.266 1.00 34.10 C ATOM 0 H THR A 34 5.692 2.877 -3.049 1.00 34.15 H new ATOM 0 HA THR A 34 6.141 0.126 -2.101 1.00 23.41 H new ATOM 0 HB THR A 34 6.518 2.757 -0.618 1.00 75.41 H new ATOM 0 HG1 THR A 34 8.186 1.318 -2.398 1.00 52.25 H new ATOM 0 HG21 THR A 34 7.918 1.403 0.897 1.00 34.10 H new ATOM 0 HG22 THR A 34 6.246 0.797 0.831 1.00 34.10 H new ATOM 0 HG23 THR A 34 7.535 -0.051 -0.055 1.00 34.10 H new ATOM 571 N ILE A 35 3.986 -0.077 -0.929 1.00 21.14 N ATOM 572 CA ILE A 35 2.743 -0.236 -0.195 1.00 13.11 C ATOM 573 C ILE A 35 3.048 -0.496 1.275 1.00 53.30 C ATOM 574 O ILE A 35 3.481 -1.590 1.646 1.00 5.42 O ATOM 575 CB ILE A 35 1.866 -1.393 -0.743 1.00 51.21 C ATOM 576 CG1 ILE A 35 1.518 -1.189 -2.223 1.00 45.34 C ATOM 577 CG2 ILE A 35 0.587 -1.516 0.072 1.00 21.03 C ATOM 578 CD1 ILE A 35 2.631 -1.560 -3.182 1.00 35.02 C ATOM 0 H ILE A 35 4.410 -0.951 -1.240 1.00 21.14 H new ATOM 0 HA ILE A 35 2.180 0.689 -0.317 1.00 13.11 H new ATOM 0 HB ILE A 35 2.445 -2.312 -0.655 1.00 51.21 H new ATOM 0 HG12 ILE A 35 0.636 -1.783 -2.462 1.00 45.34 H new ATOM 0 HG13 ILE A 35 1.252 -0.144 -2.381 1.00 45.34 H new ATOM 0 HG21 ILE A 35 -0.019 -2.331 -0.323 1.00 21.03 H new ATOM 0 HG22 ILE A 35 0.837 -1.721 1.113 1.00 21.03 H new ATOM 0 HG23 ILE A 35 0.025 -0.584 0.011 1.00 21.03 H new ATOM 0 HD11 ILE A 35 2.302 -1.386 -4.206 1.00 35.02 H new ATOM 0 HD12 ILE A 35 3.509 -0.949 -2.974 1.00 35.02 H new ATOM 0 HD13 ILE A 35 2.884 -2.613 -3.056 1.00 35.02 H new ATOM 590 N LEU A 36 2.851 0.515 2.102 1.00 41.34 N ATOM 591 CA LEU A 36 3.087 0.380 3.527 1.00 40.23 C ATOM 592 C LEU A 36 1.798 -0.020 4.224 1.00 64.44 C ATOM 593 O LEU A 36 0.747 0.566 3.983 1.00 24.23 O ATOM 594 CB LEU A 36 3.620 1.692 4.110 1.00 3.21 C ATOM 595 CG LEU A 36 4.981 2.143 3.572 1.00 12.23 C ATOM 596 CD1 LEU A 36 5.355 3.498 4.149 1.00 74.03 C ATOM 597 CD2 LEU A 36 6.051 1.111 3.896 1.00 60.45 C ATOM 0 H LEU A 36 2.528 1.438 1.811 1.00 41.34 H new ATOM 0 HA LEU A 36 3.836 -0.395 3.688 1.00 40.23 H new ATOM 0 HB2 LEU A 36 2.892 2.479 3.915 1.00 3.21 H new ATOM 0 HB3 LEU A 36 3.693 1.586 5.192 1.00 3.21 H new ATOM 0 HG LEU A 36 4.911 2.236 2.488 1.00 12.23 H new ATOM 0 HD11 LEU A 36 6.325 3.805 3.757 1.00 74.03 H new ATOM 0 HD12 LEU A 36 4.601 4.233 3.869 1.00 74.03 H new ATOM 0 HD13 LEU A 36 5.408 3.429 5.236 1.00 74.03 H new ATOM 0 HD21 LEU A 36 7.011 1.448 3.506 1.00 60.45 H new ATOM 0 HD22 LEU A 36 6.121 0.987 4.977 1.00 60.45 H new ATOM 0 HD23 LEU A 36 5.788 0.158 3.438 1.00 60.45 H new ATOM 609 N GLY A 37 1.872 -1.023 5.076 1.00 71.15 N ATOM 610 CA GLY A 37 0.681 -1.496 5.739 1.00 12.01 C ATOM 611 C GLY A 37 0.856 -1.602 7.231 1.00 73.43 C ATOM 612 O GLY A 37 1.982 -1.631 7.733 1.00 23.11 O ATOM 0 H GLY A 37 2.730 -1.517 5.320 1.00 71.15 H new ATOM 0 HA2 GLY A 37 -0.146 -0.820 5.520 1.00 12.01 H new ATOM 0 HA3 GLY A 37 0.409 -2.472 5.338 1.00 12.01 H new ATOM 616 N ARG A 38 -0.253 -1.646 7.940 1.00 4.11 N ATOM 617 CA ARG A 38 -0.235 -1.822 9.378 1.00 1.50 C ATOM 618 C ARG A 38 -1.178 -2.947 9.772 1.00 42.05 C ATOM 619 O ARG A 38 -2.159 -3.216 9.075 1.00 12.31 O ATOM 620 CB ARG A 38 -0.617 -0.522 10.090 1.00 2.43 C ATOM 621 CG ARG A 38 -1.910 0.095 9.585 1.00 5.15 C ATOM 622 CD ARG A 38 -2.264 1.358 10.350 1.00 23.02 C ATOM 623 NE ARG A 38 -3.445 2.015 9.793 1.00 15.21 N ATOM 624 CZ ARG A 38 -4.282 2.782 10.488 1.00 64.34 C ATOM 625 NH1 ARG A 38 -4.049 3.030 11.772 1.00 71.24 N ATOM 626 NH2 ARG A 38 -5.346 3.310 9.889 1.00 14.44 N ATOM 0 H ARG A 38 -1.187 -1.561 7.539 1.00 4.11 H new ATOM 0 HA ARG A 38 0.777 -2.086 9.685 1.00 1.50 H new ATOM 0 HB2 ARG A 38 -0.711 -0.718 11.158 1.00 2.43 H new ATOM 0 HB3 ARG A 38 0.191 0.199 9.968 1.00 2.43 H new ATOM 0 HG2 ARG A 38 -1.813 0.327 8.524 1.00 5.15 H new ATOM 0 HG3 ARG A 38 -2.720 -0.628 9.681 1.00 5.15 H new ATOM 0 HD2 ARG A 38 -2.445 1.111 11.396 1.00 23.02 H new ATOM 0 HD3 ARG A 38 -1.419 2.047 10.326 1.00 23.02 H new ATOM 0 HE ARG A 38 -3.642 1.876 8.802 1.00 15.21 H new ATOM 0 HH11 ARG A 38 -3.227 2.632 12.227 1.00 71.24 H new ATOM 0 HH12 ARG A 38 -4.692 3.618 12.303 1.00 71.24 H new ATOM 0 HH21 ARG A 38 -5.518 3.127 8.901 1.00 14.44 H new ATOM 0 HH22 ARG A 38 -5.990 3.898 10.418 1.00 14.44 H new ATOM 640 N LEU A 39 -0.873 -3.607 10.874 1.00 2.13 N ATOM 641 CA LEU A 39 -1.671 -4.731 11.336 1.00 52.51 C ATOM 642 C LEU A 39 -2.984 -4.244 11.941 1.00 21.31 C ATOM 643 O LEU A 39 -3.021 -3.766 13.072 1.00 32.31 O ATOM 644 CB LEU A 39 -0.890 -5.573 12.361 1.00 34.04 C ATOM 645 CG LEU A 39 0.278 -6.403 11.807 1.00 40.14 C ATOM 646 CD1 LEU A 39 -0.163 -7.214 10.599 1.00 63.04 C ATOM 647 CD2 LEU A 39 1.468 -5.518 11.461 1.00 22.24 C ATOM 0 H LEU A 39 -0.075 -3.384 11.469 1.00 2.13 H new ATOM 0 HA LEU A 39 -1.897 -5.361 10.476 1.00 52.51 H new ATOM 0 HB2 LEU A 39 -0.501 -4.904 13.129 1.00 34.04 H new ATOM 0 HB3 LEU A 39 -1.589 -6.250 12.852 1.00 34.04 H new ATOM 0 HG LEU A 39 0.595 -7.096 12.586 1.00 40.14 H new ATOM 0 HD11 LEU A 39 0.680 -7.794 10.223 1.00 63.04 H new ATOM 0 HD12 LEU A 39 -0.968 -7.889 10.888 1.00 63.04 H new ATOM 0 HD13 LEU A 39 -0.517 -6.541 9.818 1.00 63.04 H new ATOM 0 HD21 LEU A 39 2.279 -6.134 11.072 1.00 22.24 H new ATOM 0 HD22 LEU A 39 1.172 -4.789 10.707 1.00 22.24 H new ATOM 0 HD23 LEU A 39 1.806 -4.997 12.357 1.00 22.24 H new ATOM 659 N ASN A 40 -4.054 -4.341 11.166 1.00 33.32 N ATOM 660 CA ASN A 40 -5.370 -3.924 11.628 1.00 11.44 C ATOM 661 C ASN A 40 -6.405 -4.991 11.296 1.00 45.32 C ATOM 662 O ASN A 40 -7.051 -4.941 10.252 1.00 53.24 O ATOM 663 CB ASN A 40 -5.767 -2.582 11.000 1.00 44.14 C ATOM 664 CG ASN A 40 -6.979 -1.955 11.669 1.00 11.21 C ATOM 665 OD1 ASN A 40 -8.126 -2.183 11.275 1.00 4.41 O ATOM 666 ND2 ASN A 40 -6.731 -1.152 12.695 1.00 72.34 N ATOM 0 H ASN A 40 -4.037 -4.705 10.213 1.00 33.32 H new ATOM 0 HA ASN A 40 -5.331 -3.796 12.710 1.00 11.44 H new ATOM 0 HB2 ASN A 40 -4.925 -1.893 11.064 1.00 44.14 H new ATOM 0 HB3 ASN A 40 -5.978 -2.730 9.941 1.00 44.14 H new ATOM 0 HD21 ASN A 40 -7.502 -0.699 13.186 1.00 72.34 H new ATOM 0 HD22 ASN A 40 -5.769 -0.987 12.993 1.00 72.34 H new ATOM 673 N SER A 41 -6.540 -5.967 12.182 1.00 73.22 N ATOM 674 CA SER A 41 -7.490 -7.056 11.993 1.00 5.51 C ATOM 675 C SER A 41 -8.888 -6.654 12.460 1.00 43.34 C ATOM 676 O SER A 41 -9.636 -7.465 13.007 1.00 23.41 O ATOM 677 CB SER A 41 -7.011 -8.292 12.752 1.00 12.23 C ATOM 678 OG SER A 41 -5.751 -8.718 12.266 1.00 15.25 O ATOM 0 H SER A 41 -6.000 -6.028 13.045 1.00 73.22 H new ATOM 0 HA SER A 41 -7.547 -7.286 10.929 1.00 5.51 H new ATOM 0 HB2 SER A 41 -6.939 -8.067 13.816 1.00 12.23 H new ATOM 0 HB3 SER A 41 -7.739 -9.096 12.645 1.00 12.23 H new ATOM 0 HG SER A 41 -5.459 -9.509 12.764 1.00 15.25 H new ATOM 684 N LEU A 42 -9.240 -5.400 12.227 1.00 41.55 N ATOM 685 CA LEU A 42 -10.550 -4.896 12.603 1.00 10.43 C ATOM 686 C LEU A 42 -11.456 -4.813 11.379 1.00 50.51 C ATOM 687 O LEU A 42 -12.564 -4.286 11.453 1.00 62.14 O ATOM 688 CB LEU A 42 -10.440 -3.520 13.278 1.00 50.14 C ATOM 689 CG LEU A 42 -9.859 -3.506 14.703 1.00 4.25 C ATOM 690 CD1 LEU A 42 -10.591 -4.497 15.594 1.00 44.03 C ATOM 691 CD2 LEU A 42 -8.365 -3.798 14.694 1.00 10.11 C ATOM 0 H LEU A 42 -8.635 -4.712 11.778 1.00 41.55 H new ATOM 0 HA LEU A 42 -10.987 -5.591 13.320 1.00 10.43 H new ATOM 0 HB2 LEU A 42 -9.822 -2.879 12.650 1.00 50.14 H new ATOM 0 HB3 LEU A 42 -11.434 -3.073 13.309 1.00 50.14 H new ATOM 0 HG LEU A 42 -10.003 -2.505 15.109 1.00 4.25 H new ATOM 0 HD11 LEU A 42 -10.163 -4.470 16.596 1.00 44.03 H new ATOM 0 HD12 LEU A 42 -11.647 -4.231 15.643 1.00 44.03 H new ATOM 0 HD13 LEU A 42 -10.488 -5.501 15.183 1.00 44.03 H new ATOM 0 HD21 LEU A 42 -7.985 -3.781 15.715 1.00 10.11 H new ATOM 0 HD22 LEU A 42 -8.189 -4.781 14.258 1.00 10.11 H new ATOM 0 HD23 LEU A 42 -7.850 -3.041 14.102 1.00 10.11 H new ATOM 703 N GLY A 43 -10.971 -5.337 10.254 1.00 35.31 N ATOM 704 CA GLY A 43 -11.757 -5.361 9.035 1.00 13.01 C ATOM 705 C GLY A 43 -11.977 -3.982 8.444 1.00 62.51 C ATOM 706 O GLY A 43 -13.117 -3.570 8.225 1.00 5.21 O ATOM 0 H GLY A 43 -10.041 -5.747 10.168 1.00 35.31 H new ATOM 0 HA2 GLY A 43 -11.256 -5.990 8.299 1.00 13.01 H new ATOM 0 HA3 GLY A 43 -12.724 -5.820 9.242 1.00 13.01 H new ATOM 710 N HIS A 44 -10.895 -3.260 8.189 1.00 23.53 N ATOM 711 CA HIS A 44 -10.993 -1.929 7.600 1.00 14.52 C ATOM 712 C HIS A 44 -10.254 -1.872 6.274 1.00 51.41 C ATOM 713 O HIS A 44 -9.059 -1.604 6.248 1.00 54.14 O ATOM 714 CB HIS A 44 -10.421 -0.862 8.537 1.00 34.11 C ATOM 715 CG HIS A 44 -11.218 -0.640 9.781 1.00 13.21 C ATOM 716 ND1 HIS A 44 -10.711 -0.854 11.042 1.00 72.12 N ATOM 717 CD2 HIS A 44 -12.479 -0.183 9.956 1.00 34.44 C ATOM 718 CE1 HIS A 44 -11.627 -0.541 11.940 1.00 53.44 C ATOM 719 NE2 HIS A 44 -12.709 -0.128 11.308 1.00 75.45 N ATOM 0 H HIS A 44 -9.942 -3.570 8.379 1.00 23.53 H new ATOM 0 HA HIS A 44 -12.051 -1.726 7.437 1.00 14.52 H new ATOM 0 HB2 HIS A 44 -9.407 -1.147 8.816 1.00 34.11 H new ATOM 0 HB3 HIS A 44 -10.349 0.080 7.994 1.00 34.11 H new ATOM 0 HD1 HIS A 44 -9.774 -1.200 11.250 1.00 72.12 H new ATOM 0 HD2 HIS A 44 -13.176 0.088 9.177 1.00 34.44 H new ATOM 0 HE1 HIS A 44 -11.510 -0.611 13.011 1.00 53.44 H new ATOM 728 N PRO A 45 -10.945 -2.155 5.160 1.00 1.14 N ATOM 729 CA PRO A 45 -10.355 -2.075 3.823 1.00 10.33 C ATOM 730 C PRO A 45 -10.042 -0.636 3.425 1.00 62.24 C ATOM 731 O PRO A 45 -10.918 0.101 2.968 1.00 44.22 O ATOM 732 CB PRO A 45 -11.433 -2.670 2.901 1.00 61.32 C ATOM 733 CG PRO A 45 -12.400 -3.350 3.811 1.00 14.25 C ATOM 734 CD PRO A 45 -12.343 -2.596 5.108 1.00 70.31 C ATOM 0 HA PRO A 45 -9.405 -2.606 3.767 1.00 10.33 H new ATOM 0 HB2 PRO A 45 -11.924 -1.892 2.317 1.00 61.32 H new ATOM 0 HB3 PRO A 45 -10.998 -3.375 2.192 1.00 61.32 H new ATOM 0 HG2 PRO A 45 -13.407 -3.334 3.394 1.00 14.25 H new ATOM 0 HG3 PRO A 45 -12.131 -4.396 3.955 1.00 14.25 H new ATOM 0 HD2 PRO A 45 -13.035 -1.754 5.118 1.00 70.31 H new ATOM 0 HD3 PRO A 45 -12.600 -3.229 5.957 1.00 70.31 H new ATOM 742 N ARG A 46 -8.799 -0.234 3.625 1.00 24.11 N ATOM 743 CA ARG A 46 -8.372 1.118 3.306 1.00 15.21 C ATOM 744 C ARG A 46 -7.337 1.111 2.191 1.00 21.22 C ATOM 745 O ARG A 46 -6.225 0.610 2.364 1.00 41.50 O ATOM 746 CB ARG A 46 -7.803 1.805 4.557 1.00 11.33 C ATOM 747 CG ARG A 46 -7.024 3.087 4.271 1.00 40.43 C ATOM 748 CD ARG A 46 -7.902 4.182 3.684 1.00 54.42 C ATOM 749 NE ARG A 46 -8.758 4.811 4.686 1.00 62.41 N ATOM 750 CZ ARG A 46 -10.030 5.142 4.475 1.00 10.54 C ATOM 751 NH1 ARG A 46 -10.601 4.892 3.301 1.00 31.34 N ATOM 752 NH2 ARG A 46 -10.732 5.747 5.423 1.00 40.42 N ATOM 0 H ARG A 46 -8.064 -0.828 4.009 1.00 24.11 H new ATOM 0 HA ARG A 46 -9.241 1.678 2.961 1.00 15.21 H new ATOM 0 HB2 ARG A 46 -8.624 2.037 5.235 1.00 11.33 H new ATOM 0 HB3 ARG A 46 -7.149 1.104 5.076 1.00 11.33 H new ATOM 0 HG2 ARG A 46 -6.569 3.446 5.194 1.00 40.43 H new ATOM 0 HG3 ARG A 46 -6.211 2.868 3.579 1.00 40.43 H new ATOM 0 HD2 ARG A 46 -7.270 4.941 3.223 1.00 54.42 H new ATOM 0 HD3 ARG A 46 -8.523 3.760 2.894 1.00 54.42 H new ATOM 0 HE ARG A 46 -8.357 5.009 5.603 1.00 62.41 H new ATOM 0 HH11 ARG A 46 -10.064 4.445 2.558 1.00 31.34 H new ATOM 0 HH12 ARG A 46 -11.576 5.147 3.143 1.00 31.34 H new ATOM 0 HH21 ARG A 46 -10.298 5.962 6.321 1.00 40.42 H new ATOM 0 HH22 ARG A 46 -11.706 5.998 5.255 1.00 40.42 H new ATOM 766 N ILE A 47 -7.713 1.643 1.034 1.00 34.10 N ATOM 767 CA ILE A 47 -6.755 1.860 -0.033 1.00 55.32 C ATOM 768 C ILE A 47 -6.218 3.291 0.070 1.00 71.14 C ATOM 769 O ILE A 47 -6.694 4.218 -0.588 1.00 13.14 O ATOM 770 CB ILE A 47 -7.347 1.561 -1.445 1.00 42.20 C ATOM 771 CG1 ILE A 47 -6.271 1.736 -2.528 1.00 44.44 C ATOM 772 CG2 ILE A 47 -8.572 2.420 -1.752 1.00 14.52 C ATOM 773 CD1 ILE A 47 -6.773 1.473 -3.933 1.00 50.11 C ATOM 0 H ILE A 47 -8.668 1.929 0.816 1.00 34.10 H new ATOM 0 HA ILE A 47 -5.934 1.154 0.089 1.00 55.32 H new ATOM 0 HB ILE A 47 -7.679 0.523 -1.444 1.00 42.20 H new ATOM 0 HG12 ILE A 47 -5.878 2.751 -2.476 1.00 44.44 H new ATOM 0 HG13 ILE A 47 -5.441 1.062 -2.316 1.00 44.44 H new ATOM 0 HG21 ILE A 47 -8.948 2.176 -2.745 1.00 14.52 H new ATOM 0 HG22 ILE A 47 -9.348 2.225 -1.012 1.00 14.52 H new ATOM 0 HG23 ILE A 47 -8.295 3.474 -1.718 1.00 14.52 H new ATOM 0 HD11 ILE A 47 -5.958 1.616 -4.643 1.00 50.11 H new ATOM 0 HD12 ILE A 47 -7.140 0.449 -4.003 1.00 50.11 H new ATOM 0 HD13 ILE A 47 -7.583 2.165 -4.166 1.00 50.11 H new ATOM 785 N GLY A 48 -5.259 3.472 0.964 1.00 25.00 N ATOM 786 CA GLY A 48 -4.723 4.789 1.224 1.00 2.32 C ATOM 787 C GLY A 48 -3.680 5.194 0.210 1.00 31.54 C ATOM 788 O GLY A 48 -2.492 5.264 0.522 1.00 74.03 O ATOM 0 H GLY A 48 -4.840 2.724 1.517 1.00 25.00 H new ATOM 0 HA2 GLY A 48 -5.534 5.517 1.218 1.00 2.32 H new ATOM 0 HA3 GLY A 48 -4.284 4.810 2.221 1.00 2.32 H new ATOM 792 N LEU A 49 -4.122 5.452 -1.009 1.00 15.55 N ATOM 793 CA LEU A 49 -3.221 5.850 -2.071 1.00 23.22 C ATOM 794 C LEU A 49 -2.600 7.205 -1.755 1.00 74.53 C ATOM 795 O LEU A 49 -3.305 8.204 -1.595 1.00 74.40 O ATOM 796 CB LEU A 49 -3.955 5.914 -3.408 1.00 35.41 C ATOM 797 CG LEU A 49 -3.054 6.165 -4.618 1.00 55.32 C ATOM 798 CD1 LEU A 49 -2.159 4.961 -4.880 1.00 24.41 C ATOM 799 CD2 LEU A 49 -3.887 6.490 -5.844 1.00 50.33 C ATOM 0 H LEU A 49 -5.102 5.392 -1.286 1.00 15.55 H new ATOM 0 HA LEU A 49 -2.430 5.103 -2.145 1.00 23.22 H new ATOM 0 HB2 LEU A 49 -4.491 4.977 -3.559 1.00 35.41 H new ATOM 0 HB3 LEU A 49 -4.704 6.705 -3.359 1.00 35.41 H new ATOM 0 HG LEU A 49 -2.417 7.022 -4.399 1.00 55.32 H new ATOM 0 HD11 LEU A 49 -1.526 5.160 -5.745 1.00 24.41 H new ATOM 0 HD12 LEU A 49 -1.533 4.776 -4.007 1.00 24.41 H new ATOM 0 HD13 LEU A 49 -2.776 4.084 -5.076 1.00 24.41 H new ATOM 0 HD21 LEU A 49 -3.229 6.666 -6.695 1.00 50.33 H new ATOM 0 HD22 LEU A 49 -4.551 5.654 -6.065 1.00 50.33 H new ATOM 0 HD23 LEU A 49 -4.481 7.384 -5.654 1.00 50.33 H new ATOM 811 N THR A 50 -1.286 7.235 -1.654 1.00 22.22 N ATOM 812 CA THR A 50 -0.578 8.461 -1.367 1.00 71.01 C ATOM 813 C THR A 50 0.198 8.922 -2.597 1.00 23.52 C ATOM 814 O THR A 50 1.377 8.601 -2.768 1.00 41.43 O ATOM 815 CB THR A 50 0.376 8.285 -0.171 1.00 72.25 C ATOM 816 OG1 THR A 50 -0.324 7.659 0.912 1.00 23.42 O ATOM 817 CG2 THR A 50 0.923 9.629 0.293 1.00 10.31 C ATOM 0 H THR A 50 -0.686 6.418 -1.768 1.00 22.22 H new ATOM 0 HA THR A 50 -1.313 9.222 -1.104 1.00 71.01 H new ATOM 0 HB THR A 50 1.211 7.660 -0.487 1.00 72.25 H new ATOM 0 HG1 THR A 50 0.284 7.546 1.672 1.00 23.42 H new ATOM 0 HG21 THR A 50 1.594 9.477 1.138 1.00 10.31 H new ATOM 0 HG22 THR A 50 1.470 10.101 -0.523 1.00 10.31 H new ATOM 0 HG23 THR A 50 0.097 10.273 0.596 1.00 10.31 H new ATOM 825 N VAL A 51 -0.486 9.632 -3.481 1.00 0.31 N ATOM 826 CA VAL A 51 0.143 10.165 -4.674 1.00 34.52 C ATOM 827 C VAL A 51 0.168 11.682 -4.609 1.00 44.05 C ATOM 828 O VAL A 51 -0.786 12.355 -5.000 1.00 22.12 O ATOM 829 CB VAL A 51 -0.576 9.707 -5.963 1.00 73.41 C ATOM 830 CG1 VAL A 51 0.086 10.300 -7.196 1.00 65.24 C ATOM 831 CG2 VAL A 51 -0.594 8.192 -6.052 1.00 11.01 C ATOM 0 H VAL A 51 -1.478 9.851 -3.392 1.00 0.31 H new ATOM 0 HA VAL A 51 1.161 9.778 -4.710 1.00 34.52 H new ATOM 0 HB VAL A 51 -1.604 10.067 -5.922 1.00 73.41 H new ATOM 0 HG11 VAL A 51 -0.439 9.962 -8.089 1.00 65.24 H new ATOM 0 HG12 VAL A 51 0.047 11.388 -7.142 1.00 65.24 H new ATOM 0 HG13 VAL A 51 1.126 9.976 -7.242 1.00 65.24 H new ATOM 0 HG21 VAL A 51 -1.104 7.887 -6.966 1.00 11.01 H new ATOM 0 HG22 VAL A 51 0.429 7.816 -6.065 1.00 11.01 H new ATOM 0 HG23 VAL A 51 -1.120 7.783 -5.189 1.00 11.01 H new ATOM 841 N ALA A 52 1.252 12.212 -4.070 1.00 64.13 N ATOM 842 CA ALA A 52 1.419 13.649 -3.961 1.00 33.34 C ATOM 843 C ALA A 52 1.709 14.245 -5.330 1.00 22.24 C ATOM 844 O ALA A 52 2.456 13.659 -6.123 1.00 21.05 O ATOM 845 CB ALA A 52 2.539 13.981 -2.985 1.00 13.44 C ATOM 0 H ALA A 52 2.031 11.667 -3.701 1.00 64.13 H new ATOM 0 HA ALA A 52 0.494 14.083 -3.580 1.00 33.34 H new ATOM 0 HB1 ALA A 52 2.651 15.063 -2.915 1.00 13.44 H new ATOM 0 HB2 ALA A 52 2.297 13.577 -2.002 1.00 13.44 H new ATOM 0 HB3 ALA A 52 3.472 13.542 -3.338 1.00 13.44 H new ATOM 851 N LYS A 53 1.127 15.407 -5.603 1.00 11.24 N ATOM 852 CA LYS A 53 1.317 16.087 -6.885 1.00 12.02 C ATOM 853 C LYS A 53 2.707 16.717 -6.989 1.00 42.54 C ATOM 854 O LYS A 53 2.861 17.913 -7.232 1.00 22.01 O ATOM 855 CB LYS A 53 0.207 17.125 -7.125 1.00 44.02 C ATOM 856 CG LYS A 53 -0.448 17.685 -5.862 1.00 13.50 C ATOM 857 CD LYS A 53 0.219 18.962 -5.366 1.00 4.13 C ATOM 858 CE LYS A 53 1.432 18.686 -4.493 1.00 2.14 C ATOM 859 NZ LYS A 53 2.063 19.947 -4.027 1.00 54.34 N ATOM 0 H LYS A 53 0.517 15.902 -4.953 1.00 11.24 H new ATOM 0 HA LYS A 53 1.248 15.336 -7.672 1.00 12.02 H new ATOM 0 HB2 LYS A 53 0.625 17.954 -7.696 1.00 44.02 H new ATOM 0 HB3 LYS A 53 -0.566 16.670 -7.744 1.00 44.02 H new ATOM 0 HG2 LYS A 53 -1.501 17.885 -6.062 1.00 13.50 H new ATOM 0 HG3 LYS A 53 -0.411 16.932 -5.075 1.00 13.50 H new ATOM 0 HD2 LYS A 53 0.521 19.566 -6.222 1.00 4.13 H new ATOM 0 HD3 LYS A 53 -0.505 19.550 -4.801 1.00 4.13 H new ATOM 0 HE2 LYS A 53 1.134 18.087 -3.632 1.00 2.14 H new ATOM 0 HE3 LYS A 53 2.159 18.099 -5.054 1.00 2.14 H new ATOM 0 HZ1 LYS A 53 2.888 19.724 -3.434 1.00 54.34 H new ATOM 0 HZ2 LYS A 53 2.369 20.507 -4.849 1.00 54.34 H new ATOM 0 HZ3 LYS A 53 1.375 20.495 -3.472 1.00 54.34 H new ATOM 873 N LYS A 54 3.711 15.879 -6.804 1.00 42.23 N ATOM 874 CA LYS A 54 5.107 16.274 -6.890 1.00 62.12 C ATOM 875 C LYS A 54 5.948 15.092 -7.353 1.00 51.01 C ATOM 876 O LYS A 54 7.005 15.266 -7.961 1.00 11.31 O ATOM 877 CB LYS A 54 5.606 16.790 -5.537 1.00 42.22 C ATOM 878 CG LYS A 54 5.251 15.885 -4.366 1.00 33.13 C ATOM 879 CD LYS A 54 5.787 16.431 -3.054 1.00 11.32 C ATOM 880 CE LYS A 54 7.278 16.178 -2.902 1.00 51.22 C ATOM 881 NZ LYS A 54 7.585 14.728 -2.761 1.00 73.43 N ATOM 0 H LYS A 54 3.579 14.891 -6.587 1.00 42.23 H new ATOM 0 HA LYS A 54 5.201 17.082 -7.616 1.00 62.12 H new ATOM 0 HB2 LYS A 54 6.689 16.905 -5.580 1.00 42.22 H new ATOM 0 HB3 LYS A 54 5.187 17.780 -5.359 1.00 42.22 H new ATOM 0 HG2 LYS A 54 4.168 15.780 -4.302 1.00 33.13 H new ATOM 0 HG3 LYS A 54 5.658 14.889 -4.539 1.00 33.13 H new ATOM 0 HD2 LYS A 54 5.593 17.502 -3.000 1.00 11.32 H new ATOM 0 HD3 LYS A 54 5.254 15.969 -2.223 1.00 11.32 H new ATOM 0 HE2 LYS A 54 7.804 16.577 -3.769 1.00 51.22 H new ATOM 0 HE3 LYS A 54 7.650 16.714 -2.029 1.00 51.22 H new ATOM 0 HZ1 LYS A 54 8.594 14.607 -2.542 1.00 73.43 H new ATOM 0 HZ2 LYS A 54 7.013 14.325 -1.992 1.00 73.43 H new ATOM 0 HZ3 LYS A 54 7.363 14.238 -3.651 1.00 73.43 H new ATOM 895 N ASN A 55 5.464 13.888 -7.062 1.00 51.04 N ATOM 896 CA ASN A 55 6.129 12.663 -7.489 1.00 74.30 C ATOM 897 C ASN A 55 5.693 12.309 -8.905 1.00 25.42 C ATOM 898 O ASN A 55 6.447 11.715 -9.678 1.00 41.30 O ATOM 899 CB ASN A 55 5.806 11.518 -6.524 1.00 24.42 C ATOM 900 CG ASN A 55 6.436 11.711 -5.149 1.00 73.42 C ATOM 901 OD1 ASN A 55 6.721 12.834 -4.724 1.00 44.04 O ATOM 902 ND2 ASN A 55 6.632 10.618 -4.428 1.00 0.54 N ATOM 0 H ASN A 55 4.608 13.735 -6.529 1.00 51.04 H new ATOM 0 HA ASN A 55 7.207 12.821 -7.481 1.00 74.30 H new ATOM 0 HB2 ASN A 55 4.725 11.434 -6.415 1.00 24.42 H new ATOM 0 HB3 ASN A 55 6.157 10.579 -6.951 1.00 24.42 H new ATOM 0 HD21 ASN A 55 7.030 10.689 -3.491 1.00 0.54 H new ATOM 0 HD22 ASN A 55 6.385 9.705 -4.809 1.00 0.54 H new ATOM 909 N VAL A 56 4.463 12.678 -9.233 1.00 4.41 N ATOM 910 CA VAL A 56 3.957 12.549 -10.591 1.00 54.42 C ATOM 911 C VAL A 56 4.036 13.905 -11.280 1.00 22.11 C ATOM 912 O VAL A 56 3.324 14.838 -10.911 1.00 62.11 O ATOM 913 CB VAL A 56 2.500 12.040 -10.614 1.00 23.50 C ATOM 914 CG1 VAL A 56 2.003 11.875 -12.041 1.00 71.33 C ATOM 915 CG2 VAL A 56 2.381 10.727 -9.856 1.00 61.12 C ATOM 0 H VAL A 56 3.793 13.072 -8.572 1.00 4.41 H new ATOM 0 HA VAL A 56 4.571 11.817 -11.116 1.00 54.42 H new ATOM 0 HB VAL A 56 1.875 12.785 -10.121 1.00 23.50 H new ATOM 0 HG11 VAL A 56 0.974 11.515 -12.029 1.00 71.33 H new ATOM 0 HG12 VAL A 56 2.046 12.836 -12.554 1.00 71.33 H new ATOM 0 HG13 VAL A 56 2.633 11.156 -12.565 1.00 71.33 H new ATOM 0 HG21 VAL A 56 1.347 10.384 -9.883 1.00 61.12 H new ATOM 0 HG22 VAL A 56 3.024 9.979 -10.320 1.00 61.12 H new ATOM 0 HG23 VAL A 56 2.687 10.876 -8.820 1.00 61.12 H new ATOM 925 N ARG A 57 4.920 14.010 -12.261 1.00 4.42 N ATOM 926 CA ARG A 57 5.205 15.285 -12.912 1.00 34.51 C ATOM 927 C ARG A 57 4.040 15.746 -13.787 1.00 25.13 C ATOM 928 O ARG A 57 3.678 16.925 -13.791 1.00 21.45 O ATOM 929 CB ARG A 57 6.477 15.159 -13.750 1.00 34.25 C ATOM 930 CG ARG A 57 7.019 16.486 -14.244 1.00 64.23 C ATOM 931 CD ARG A 57 8.330 16.302 -14.987 1.00 11.14 C ATOM 932 NE ARG A 57 8.953 17.579 -15.315 1.00 33.34 N ATOM 933 CZ ARG A 57 10.009 17.712 -16.111 1.00 63.33 C ATOM 934 NH1 ARG A 57 10.558 16.646 -16.688 1.00 4.42 N ATOM 935 NH2 ARG A 57 10.517 18.921 -16.331 1.00 75.33 N ATOM 0 H ARG A 57 5.457 13.224 -12.627 1.00 4.42 H new ATOM 0 HA ARG A 57 5.349 16.037 -12.136 1.00 34.51 H new ATOM 0 HB2 ARG A 57 7.244 14.662 -13.156 1.00 34.25 H new ATOM 0 HB3 ARG A 57 6.274 14.518 -14.608 1.00 34.25 H new ATOM 0 HG2 ARG A 57 6.289 16.958 -14.901 1.00 64.23 H new ATOM 0 HG3 ARG A 57 7.168 17.158 -13.399 1.00 64.23 H new ATOM 0 HD2 ARG A 57 9.013 15.711 -14.377 1.00 11.14 H new ATOM 0 HD3 ARG A 57 8.152 15.739 -15.903 1.00 11.14 H new ATOM 0 HE ARG A 57 8.553 18.424 -14.908 1.00 33.34 H new ATOM 0 HH11 ARG A 57 10.169 15.718 -16.521 1.00 4.42 H new ATOM 0 HH12 ARG A 57 11.368 16.757 -17.298 1.00 4.42 H new ATOM 0 HH21 ARG A 57 10.096 19.739 -15.890 1.00 75.33 H new ATOM 0 HH22 ARG A 57 11.327 19.030 -16.941 1.00 75.33 H new ATOM 949 N ARG A 58 3.462 14.816 -14.532 1.00 71.31 N ATOM 950 CA ARG A 58 2.329 15.129 -15.389 1.00 50.03 C ATOM 951 C ARG A 58 1.032 14.815 -14.644 1.00 33.15 C ATOM 952 O ARG A 58 0.761 13.661 -14.312 1.00 61.12 O ATOM 953 CB ARG A 58 2.411 14.328 -16.690 1.00 10.31 C ATOM 954 CG ARG A 58 1.484 14.827 -17.791 1.00 25.33 C ATOM 955 CD ARG A 58 2.181 15.818 -18.715 1.00 23.04 C ATOM 956 NE ARG A 58 2.469 17.099 -18.070 1.00 74.34 N ATOM 957 CZ ARG A 58 3.378 17.966 -18.516 1.00 21.22 C ATOM 958 NH1 ARG A 58 4.162 17.648 -19.543 1.00 42.31 N ATOM 959 NH2 ARG A 58 3.515 19.144 -17.922 1.00 75.31 N ATOM 0 H ARG A 58 3.758 13.840 -14.560 1.00 71.31 H new ATOM 0 HA ARG A 58 2.347 16.189 -15.643 1.00 50.03 H new ATOM 0 HB2 ARG A 58 3.438 14.354 -17.055 1.00 10.31 H new ATOM 0 HB3 ARG A 58 2.175 13.285 -16.477 1.00 10.31 H new ATOM 0 HG2 ARG A 58 1.123 13.979 -18.374 1.00 25.33 H new ATOM 0 HG3 ARG A 58 0.611 15.301 -17.343 1.00 25.33 H new ATOM 0 HD2 ARG A 58 3.113 15.380 -19.071 1.00 23.04 H new ATOM 0 HD3 ARG A 58 1.555 15.991 -19.590 1.00 23.04 H new ATOM 0 HE ARG A 58 1.944 17.343 -17.230 1.00 74.34 H new ATOM 0 HH11 ARG A 58 4.069 16.737 -19.993 1.00 42.31 H new ATOM 0 HH12 ARG A 58 4.856 18.315 -19.880 1.00 42.31 H new ATOM 0 HH21 ARG A 58 2.925 19.385 -17.125 1.00 75.31 H new ATOM 0 HH22 ARG A 58 4.210 19.809 -18.262 1.00 75.31 H new ATOM 973 N ALA A 59 0.241 15.849 -14.386 1.00 62.10 N ATOM 974 CA ALA A 59 -0.929 15.749 -13.513 1.00 33.23 C ATOM 975 C ALA A 59 -1.938 14.699 -13.980 1.00 60.40 C ATOM 976 O ALA A 59 -2.487 13.957 -13.169 1.00 70.34 O ATOM 977 CB ALA A 59 -1.602 17.109 -13.394 1.00 54.34 C ATOM 0 H ALA A 59 0.389 16.781 -14.774 1.00 62.10 H new ATOM 0 HA ALA A 59 -0.571 15.423 -12.537 1.00 33.23 H new ATOM 0 HB1 ALA A 59 -2.472 17.028 -12.743 1.00 54.34 H new ATOM 0 HB2 ALA A 59 -0.899 17.827 -12.973 1.00 54.34 H new ATOM 0 HB3 ALA A 59 -1.917 17.447 -14.381 1.00 54.34 H new ATOM 983 N HIS A 60 -2.167 14.619 -15.283 1.00 14.21 N ATOM 984 CA HIS A 60 -3.205 13.742 -15.824 1.00 41.24 C ATOM 985 C HIS A 60 -2.841 12.262 -15.669 1.00 63.44 C ATOM 986 O HIS A 60 -3.704 11.388 -15.761 1.00 45.53 O ATOM 987 CB HIS A 60 -3.450 14.068 -17.301 1.00 53.14 C ATOM 988 CG HIS A 60 -4.658 13.384 -17.874 1.00 34.44 C ATOM 989 ND1 HIS A 60 -4.589 12.392 -18.830 1.00 43.03 N ATOM 990 CD2 HIS A 60 -5.975 13.558 -17.611 1.00 75.42 C ATOM 991 CE1 HIS A 60 -5.812 11.989 -19.130 1.00 42.31 C ATOM 992 NE2 HIS A 60 -6.671 12.681 -18.404 1.00 25.32 N ATOM 0 H HIS A 60 -1.651 15.148 -15.987 1.00 14.21 H new ATOM 0 HA HIS A 60 -4.117 13.920 -15.253 1.00 41.24 H new ATOM 0 HB2 HIS A 60 -3.566 15.146 -17.412 1.00 53.14 H new ATOM 0 HB3 HIS A 60 -2.572 13.781 -17.879 1.00 53.14 H new ATOM 0 HD2 HIS A 60 -6.399 14.258 -16.907 1.00 75.42 H new ATOM 0 HE1 HIS A 60 -6.066 11.223 -19.848 1.00 42.31 H new ATOM 0 HE2 HIS A 60 -7.686 12.580 -18.429 1.00 25.32 H new ATOM 1001 N GLU A 61 -1.573 11.984 -15.403 1.00 25.12 N ATOM 1002 CA GLU A 61 -1.082 10.611 -15.414 1.00 70.30 C ATOM 1003 C GLU A 61 -1.362 9.893 -14.090 1.00 32.35 C ATOM 1004 O GLU A 61 -1.340 8.662 -14.029 1.00 13.42 O ATOM 1005 CB GLU A 61 0.416 10.591 -15.717 1.00 22.40 C ATOM 1006 CG GLU A 61 0.806 11.433 -16.922 1.00 64.11 C ATOM 1007 CD GLU A 61 -0.012 11.140 -18.165 1.00 43.05 C ATOM 1008 OE1 GLU A 61 0.257 10.121 -18.836 1.00 14.21 O ATOM 1009 OE2 GLU A 61 -0.916 11.940 -18.484 1.00 72.22 O ATOM 0 H GLU A 61 -0.868 12.686 -15.178 1.00 25.12 H new ATOM 0 HA GLU A 61 -1.618 10.076 -16.198 1.00 70.30 H new ATOM 0 HB2 GLU A 61 0.960 10.949 -14.843 1.00 22.40 H new ATOM 0 HB3 GLU A 61 0.730 9.561 -15.887 1.00 22.40 H new ATOM 0 HG2 GLU A 61 0.697 12.487 -16.667 1.00 64.11 H new ATOM 0 HG3 GLU A 61 1.860 11.266 -17.144 1.00 64.11 H new ATOM 1016 N ARG A 62 -1.658 10.657 -13.042 1.00 41.31 N ATOM 1017 CA ARG A 62 -1.838 10.089 -11.703 1.00 41.42 C ATOM 1018 C ARG A 62 -3.122 9.254 -11.608 1.00 65.42 C ATOM 1019 O ARG A 62 -3.300 8.477 -10.671 1.00 60.22 O ATOM 1020 CB ARG A 62 -1.855 11.206 -10.645 1.00 41.53 C ATOM 1021 CG ARG A 62 -3.019 12.173 -10.796 1.00 12.11 C ATOM 1022 CD ARG A 62 -2.910 13.355 -9.841 1.00 71.41 C ATOM 1023 NE ARG A 62 -3.943 14.359 -10.103 1.00 33.03 N ATOM 1024 CZ ARG A 62 -3.833 15.653 -9.800 1.00 45.22 C ATOM 1025 NH1 ARG A 62 -2.774 16.101 -9.137 1.00 50.24 N ATOM 1026 NH2 ARG A 62 -4.804 16.493 -10.137 1.00 23.50 N ATOM 0 H ARG A 62 -1.779 11.669 -13.091 1.00 41.31 H new ATOM 0 HA ARG A 62 -0.994 9.426 -11.512 1.00 41.42 H new ATOM 0 HB2 ARG A 62 -1.895 10.755 -9.654 1.00 41.53 H new ATOM 0 HB3 ARG A 62 -0.921 11.764 -10.704 1.00 41.53 H new ATOM 0 HG2 ARG A 62 -3.055 12.539 -11.822 1.00 12.11 H new ATOM 0 HG3 ARG A 62 -3.955 11.645 -10.613 1.00 12.11 H new ATOM 0 HD2 ARG A 62 -2.998 13.002 -8.813 1.00 71.41 H new ATOM 0 HD3 ARG A 62 -1.925 13.812 -9.938 1.00 71.41 H new ATOM 0 HE ARG A 62 -4.806 14.047 -10.548 1.00 33.03 H new ATOM 0 HH11 ARG A 62 -2.037 15.454 -8.856 1.00 50.24 H new ATOM 0 HH12 ARG A 62 -2.697 17.092 -8.909 1.00 50.24 H new ATOM 0 HH21 ARG A 62 -5.630 16.148 -10.626 1.00 23.50 H new ATOM 0 HH22 ARG A 62 -4.724 17.484 -9.907 1.00 23.50 H new ATOM 1040 N ASN A 63 -4.000 9.407 -12.592 1.00 75.20 N ATOM 1041 CA ASN A 63 -5.295 8.727 -12.585 1.00 24.22 C ATOM 1042 C ASN A 63 -5.142 7.217 -12.732 1.00 41.33 C ATOM 1043 O ASN A 63 -5.976 6.451 -12.255 1.00 71.11 O ATOM 1044 CB ASN A 63 -6.185 9.257 -13.710 1.00 65.23 C ATOM 1045 CG ASN A 63 -6.585 10.705 -13.513 1.00 72.00 C ATOM 1046 OD1 ASN A 63 -6.686 11.190 -12.386 1.00 2.52 O ATOM 1047 ND2 ASN A 63 -6.822 11.402 -14.608 1.00 42.41 N ATOM 0 H ASN A 63 -3.840 9.997 -13.408 1.00 75.20 H new ATOM 0 HA ASN A 63 -5.760 8.933 -11.621 1.00 24.22 H new ATOM 0 HB2 ASN A 63 -5.660 9.156 -14.660 1.00 65.23 H new ATOM 0 HB3 ASN A 63 -7.083 8.643 -13.776 1.00 65.23 H new ATOM 0 HD21 ASN A 63 -7.100 12.381 -14.539 1.00 42.41 H new ATOM 0 HD22 ASN A 63 -6.727 10.962 -15.523 1.00 42.41 H new ATOM 1054 N ARG A 64 -4.070 6.785 -13.379 1.00 12.34 N ATOM 1055 CA ARG A 64 -3.874 5.361 -13.639 1.00 35.12 C ATOM 1056 C ARG A 64 -3.405 4.644 -12.384 1.00 55.25 C ATOM 1057 O ARG A 64 -3.657 3.453 -12.207 1.00 52.33 O ATOM 1058 CB ARG A 64 -2.872 5.126 -14.778 1.00 10.05 C ATOM 1059 CG ARG A 64 -3.353 5.594 -16.145 1.00 32.20 C ATOM 1060 CD ARG A 64 -3.357 7.108 -16.249 1.00 33.14 C ATOM 1061 NE ARG A 64 -3.766 7.578 -17.566 1.00 4.42 N ATOM 1062 CZ ARG A 64 -2.989 8.319 -18.353 1.00 61.05 C ATOM 1063 NH1 ARG A 64 -1.735 8.572 -17.993 1.00 33.52 N ATOM 1064 NH2 ARG A 64 -3.449 8.774 -19.506 1.00 63.42 N ATOM 0 H ARG A 64 -3.328 7.390 -13.732 1.00 12.34 H new ATOM 0 HA ARG A 64 -4.838 4.953 -13.944 1.00 35.12 H new ATOM 0 HB2 ARG A 64 -1.941 5.640 -14.538 1.00 10.05 H new ATOM 0 HB3 ARG A 64 -2.644 4.061 -14.831 1.00 10.05 H new ATOM 0 HG2 ARG A 64 -2.709 5.177 -16.920 1.00 32.20 H new ATOM 0 HG3 ARG A 64 -4.358 5.214 -16.327 1.00 32.20 H new ATOM 0 HD2 ARG A 64 -4.030 7.518 -15.496 1.00 33.14 H new ATOM 0 HD3 ARG A 64 -2.359 7.486 -16.026 1.00 33.14 H new ATOM 0 HE ARG A 64 -4.695 7.326 -17.902 1.00 4.42 H new ATOM 0 HH11 ARG A 64 -1.371 8.199 -17.116 1.00 33.52 H new ATOM 0 HH12 ARG A 64 -1.137 9.139 -18.593 1.00 33.52 H new ATOM 0 HH21 ARG A 64 -4.403 8.558 -19.796 1.00 63.42 H new ATOM 0 HH22 ARG A 64 -2.850 9.341 -20.106 1.00 63.42 H new ATOM 1078 N ILE A 65 -2.747 5.387 -11.503 1.00 44.42 N ATOM 1079 CA ILE A 65 -2.186 4.819 -10.284 1.00 50.52 C ATOM 1080 C ILE A 65 -3.294 4.300 -9.372 1.00 62.23 C ATOM 1081 O ILE A 65 -3.193 3.204 -8.812 1.00 13.10 O ATOM 1082 CB ILE A 65 -1.338 5.862 -9.521 1.00 33.12 C ATOM 1083 CG1 ILE A 65 -0.336 6.541 -10.468 1.00 71.21 C ATOM 1084 CG2 ILE A 65 -0.607 5.208 -8.353 1.00 1.04 C ATOM 1085 CD1 ILE A 65 0.594 5.581 -11.180 1.00 42.04 C ATOM 0 H ILE A 65 -2.588 6.389 -11.611 1.00 44.42 H new ATOM 0 HA ILE A 65 -1.542 3.989 -10.576 1.00 50.52 H new ATOM 0 HB ILE A 65 -2.009 6.624 -9.125 1.00 33.12 H new ATOM 0 HG12 ILE A 65 -0.888 7.114 -11.213 1.00 71.21 H new ATOM 0 HG13 ILE A 65 0.261 7.252 -9.897 1.00 71.21 H new ATOM 0 HG21 ILE A 65 -0.015 5.958 -7.828 1.00 1.04 H new ATOM 0 HG22 ILE A 65 -1.334 4.773 -7.667 1.00 1.04 H new ATOM 0 HG23 ILE A 65 0.051 4.424 -8.729 1.00 1.04 H new ATOM 0 HD11 ILE A 65 1.268 6.141 -11.828 1.00 42.04 H new ATOM 0 HD12 ILE A 65 1.176 5.025 -10.445 1.00 42.04 H new ATOM 0 HD13 ILE A 65 0.008 4.885 -11.780 1.00 42.04 H new ATOM 1097 N LYS A 66 -4.361 5.079 -9.245 1.00 32.32 N ATOM 1098 CA LYS A 66 -5.480 4.696 -8.396 1.00 44.31 C ATOM 1099 C LYS A 66 -6.293 3.579 -9.044 1.00 24.14 C ATOM 1100 O LYS A 66 -6.867 2.744 -8.355 1.00 32.41 O ATOM 1101 CB LYS A 66 -6.375 5.906 -8.094 1.00 23.34 C ATOM 1102 CG LYS A 66 -7.000 6.530 -9.324 1.00 34.51 C ATOM 1103 CD LYS A 66 -7.985 7.625 -8.960 1.00 60.43 C ATOM 1104 CE LYS A 66 -8.435 8.393 -10.189 1.00 30.10 C ATOM 1105 NZ LYS A 66 -9.701 9.137 -9.954 1.00 52.32 N ATOM 0 H LYS A 66 -4.474 5.976 -9.717 1.00 32.32 H new ATOM 0 HA LYS A 66 -5.077 4.325 -7.454 1.00 44.31 H new ATOM 0 HB2 LYS A 66 -7.168 5.598 -7.412 1.00 23.34 H new ATOM 0 HB3 LYS A 66 -5.785 6.662 -7.576 1.00 23.34 H new ATOM 0 HG2 LYS A 66 -6.217 6.942 -9.961 1.00 34.51 H new ATOM 0 HG3 LYS A 66 -7.510 5.760 -9.903 1.00 34.51 H new ATOM 0 HD2 LYS A 66 -8.852 7.187 -8.465 1.00 60.43 H new ATOM 0 HD3 LYS A 66 -7.524 8.310 -8.249 1.00 60.43 H new ATOM 0 HE2 LYS A 66 -7.654 9.093 -10.484 1.00 30.10 H new ATOM 0 HE3 LYS A 66 -8.572 7.700 -11.019 1.00 30.10 H new ATOM 0 HZ1 LYS A 66 -9.970 9.646 -10.820 1.00 52.32 H new ATOM 0 HZ2 LYS A 66 -10.455 8.468 -9.698 1.00 52.32 H new ATOM 0 HZ3 LYS A 66 -9.565 9.818 -9.180 1.00 52.32 H new ATOM 1119 N ARG A 67 -6.327 3.557 -10.372 1.00 64.12 N ATOM 1120 CA ARG A 67 -7.067 2.529 -11.095 1.00 21.31 C ATOM 1121 C ARG A 67 -6.397 1.171 -10.936 1.00 2.35 C ATOM 1122 O ARG A 67 -7.056 0.176 -10.625 1.00 44.01 O ATOM 1123 CB ARG A 67 -7.177 2.875 -12.582 1.00 21.22 C ATOM 1124 CG ARG A 67 -8.068 4.069 -12.875 1.00 65.01 C ATOM 1125 CD ARG A 67 -8.226 4.269 -14.374 1.00 12.23 C ATOM 1126 NE ARG A 67 -9.161 5.342 -14.699 1.00 24.41 N ATOM 1127 CZ ARG A 67 -9.912 5.362 -15.801 1.00 12.23 C ATOM 1128 NH1 ARG A 67 -9.882 4.338 -16.650 1.00 14.24 N ATOM 1129 NH2 ARG A 67 -10.707 6.393 -16.051 1.00 44.41 N ATOM 0 H ARG A 67 -5.853 4.236 -10.968 1.00 64.12 H new ATOM 0 HA ARG A 67 -8.070 2.484 -10.670 1.00 21.31 H new ATOM 0 HB2 ARG A 67 -6.179 3.075 -12.973 1.00 21.22 H new ATOM 0 HB3 ARG A 67 -7.561 2.008 -13.119 1.00 21.22 H new ATOM 0 HG2 ARG A 67 -9.046 3.919 -12.418 1.00 65.01 H new ATOM 0 HG3 ARG A 67 -7.641 4.966 -12.427 1.00 65.01 H new ATOM 0 HD2 ARG A 67 -7.253 4.494 -14.812 1.00 12.23 H new ATOM 0 HD3 ARG A 67 -8.572 3.340 -14.827 1.00 12.23 H new ATOM 0 HE ARG A 67 -9.245 6.121 -14.046 1.00 24.41 H new ATOM 0 HH11 ARG A 67 -9.283 3.535 -16.459 1.00 14.24 H new ATOM 0 HH12 ARG A 67 -10.458 4.356 -17.492 1.00 14.24 H new ATOM 0 HH21 ARG A 67 -10.747 7.176 -15.399 1.00 44.41 H new ATOM 0 HH22 ARG A 67 -11.279 6.403 -16.895 1.00 44.41 H new ATOM 1143 N LEU A 68 -5.085 1.145 -11.145 1.00 41.13 N ATOM 1144 CA LEU A 68 -4.309 -0.087 -11.063 1.00 74.33 C ATOM 1145 C LEU A 68 -4.476 -0.722 -9.685 1.00 13.41 C ATOM 1146 O LEU A 68 -4.768 -1.914 -9.570 1.00 60.42 O ATOM 1147 CB LEU A 68 -2.827 0.213 -11.358 1.00 24.23 C ATOM 1148 CG LEU A 68 -1.937 -0.988 -11.724 1.00 70.24 C ATOM 1149 CD1 LEU A 68 -1.617 -1.840 -10.505 1.00 22.22 C ATOM 1150 CD2 LEU A 68 -2.597 -1.831 -12.806 1.00 20.24 C ATOM 0 H LEU A 68 -4.533 1.971 -11.374 1.00 41.13 H new ATOM 0 HA LEU A 68 -4.673 -0.795 -11.807 1.00 74.33 H new ATOM 0 HB2 LEU A 68 -2.782 0.932 -12.176 1.00 24.23 H new ATOM 0 HB3 LEU A 68 -2.398 0.700 -10.482 1.00 24.23 H new ATOM 0 HG LEU A 68 -0.996 -0.596 -12.110 1.00 70.24 H new ATOM 0 HD11 LEU A 68 -0.987 -2.678 -10.802 1.00 22.22 H new ATOM 0 HD12 LEU A 68 -1.091 -1.235 -9.766 1.00 22.22 H new ATOM 0 HD13 LEU A 68 -2.543 -2.218 -10.072 1.00 22.22 H new ATOM 0 HD21 LEU A 68 -1.954 -2.676 -13.052 1.00 20.24 H new ATOM 0 HD22 LEU A 68 -3.557 -2.199 -12.445 1.00 20.24 H new ATOM 0 HD23 LEU A 68 -2.753 -1.222 -13.697 1.00 20.24 H new ATOM 1162 N THR A 69 -4.319 0.087 -8.648 1.00 63.43 N ATOM 1163 CA THR A 69 -4.424 -0.396 -7.281 1.00 74.14 C ATOM 1164 C THR A 69 -5.865 -0.786 -6.937 1.00 40.11 C ATOM 1165 O THR A 69 -6.100 -1.789 -6.260 1.00 24.14 O ATOM 1166 CB THR A 69 -3.905 0.664 -6.287 1.00 10.33 C ATOM 1167 OG1 THR A 69 -4.426 1.955 -6.632 1.00 14.12 O ATOM 1168 CG2 THR A 69 -2.381 0.710 -6.289 1.00 35.22 C ATOM 0 H THR A 69 -4.118 1.084 -8.729 1.00 63.43 H new ATOM 0 HA THR A 69 -3.803 -1.288 -7.197 1.00 74.14 H new ATOM 0 HB THR A 69 -4.243 0.390 -5.288 1.00 10.33 H new ATOM 0 HG1 THR A 69 -3.865 2.360 -7.326 1.00 14.12 H new ATOM 0 HG21 THR A 69 -2.039 1.465 -5.581 1.00 35.22 H new ATOM 0 HG22 THR A 69 -1.987 -0.264 -6.000 1.00 35.22 H new ATOM 0 HG23 THR A 69 -2.026 0.963 -7.288 1.00 35.22 H new ATOM 1176 N ARG A 70 -6.821 -0.008 -7.430 1.00 62.41 N ATOM 1177 CA ARG A 70 -8.236 -0.249 -7.168 1.00 4.22 C ATOM 1178 C ARG A 70 -8.657 -1.617 -7.703 1.00 42.20 C ATOM 1179 O ARG A 70 -9.219 -2.433 -6.966 1.00 54.53 O ATOM 1180 CB ARG A 70 -9.079 0.849 -7.824 1.00 53.11 C ATOM 1181 CG ARG A 70 -10.296 1.300 -7.022 1.00 1.14 C ATOM 1182 CD ARG A 70 -11.461 0.321 -7.105 1.00 72.34 C ATOM 1183 NE ARG A 70 -11.288 -0.845 -6.241 1.00 72.33 N ATOM 1184 CZ ARG A 70 -12.075 -1.123 -5.201 1.00 31.42 C ATOM 1185 NH1 ARG A 70 -13.026 -0.271 -4.835 1.00 13.23 N ATOM 1186 NH2 ARG A 70 -11.892 -2.243 -4.514 1.00 3.01 N ATOM 0 H ARG A 70 -6.639 0.804 -8.020 1.00 62.41 H new ATOM 0 HA ARG A 70 -8.398 -0.234 -6.090 1.00 4.22 H new ATOM 0 HB2 ARG A 70 -8.442 1.715 -8.005 1.00 53.11 H new ATOM 0 HB3 ARG A 70 -9.417 0.493 -8.797 1.00 53.11 H new ATOM 0 HG2 ARG A 70 -10.009 1.427 -5.978 1.00 1.14 H new ATOM 0 HG3 ARG A 70 -10.622 2.275 -7.384 1.00 1.14 H new ATOM 0 HD2 ARG A 70 -12.382 0.836 -6.831 1.00 72.34 H new ATOM 0 HD3 ARG A 70 -11.576 -0.012 -8.137 1.00 72.34 H new ATOM 0 HE ARG A 70 -10.520 -1.484 -6.446 1.00 72.33 H new ATOM 0 HH11 ARG A 70 -13.156 0.600 -5.350 1.00 13.23 H new ATOM 0 HH12 ARG A 70 -13.626 -0.487 -4.039 1.00 13.23 H new ATOM 0 HH21 ARG A 70 -11.150 -2.890 -4.782 1.00 3.01 H new ATOM 0 HH22 ARG A 70 -12.493 -2.457 -3.718 1.00 3.01 H new ATOM 1200 N GLU A 71 -8.374 -1.868 -8.976 1.00 4.11 N ATOM 1201 CA GLU A 71 -8.801 -3.103 -9.625 1.00 0.14 C ATOM 1202 C GLU A 71 -8.064 -4.307 -9.051 1.00 55.23 C ATOM 1203 O GLU A 71 -8.621 -5.399 -8.970 1.00 75.50 O ATOM 1204 CB GLU A 71 -8.588 -3.014 -11.137 1.00 20.13 C ATOM 1205 CG GLU A 71 -9.390 -1.899 -11.795 1.00 72.33 C ATOM 1206 CD GLU A 71 -10.888 -2.044 -11.594 1.00 31.21 C ATOM 1207 OE1 GLU A 71 -11.404 -1.583 -10.551 1.00 13.44 O ATOM 1208 OE2 GLU A 71 -11.563 -2.600 -12.488 1.00 55.10 O ATOM 0 H GLU A 71 -7.851 -1.233 -9.579 1.00 4.11 H new ATOM 0 HA GLU A 71 -9.865 -3.236 -9.431 1.00 0.14 H new ATOM 0 HB2 GLU A 71 -7.528 -2.857 -11.339 1.00 20.13 H new ATOM 0 HB3 GLU A 71 -8.862 -3.966 -11.592 1.00 20.13 H new ATOM 0 HG2 GLU A 71 -9.066 -0.940 -11.391 1.00 72.33 H new ATOM 0 HG3 GLU A 71 -9.172 -1.885 -12.863 1.00 72.33 H new ATOM 1215 N SER A 72 -6.821 -4.106 -8.634 1.00 24.42 N ATOM 1216 CA SER A 72 -6.047 -5.181 -8.033 1.00 52.52 C ATOM 1217 C SER A 72 -6.576 -5.510 -6.636 1.00 61.41 C ATOM 1218 O SER A 72 -6.641 -6.677 -6.244 1.00 44.24 O ATOM 1219 CB SER A 72 -4.569 -4.798 -7.977 1.00 74.11 C ATOM 1220 OG SER A 72 -4.081 -4.500 -9.274 1.00 33.52 O ATOM 0 H SER A 72 -6.331 -3.214 -8.701 1.00 24.42 H new ATOM 0 HA SER A 72 -6.150 -6.073 -8.651 1.00 52.52 H new ATOM 0 HB2 SER A 72 -4.436 -3.934 -7.325 1.00 74.11 H new ATOM 0 HB3 SER A 72 -3.992 -5.615 -7.545 1.00 74.11 H new ATOM 0 HG SER A 72 -4.430 -3.631 -9.563 1.00 33.52 H new ATOM 1226 N PHE A 73 -6.976 -4.475 -5.899 1.00 54.52 N ATOM 1227 CA PHE A 73 -7.541 -4.648 -4.563 1.00 65.32 C ATOM 1228 C PHE A 73 -8.799 -5.514 -4.624 1.00 44.42 C ATOM 1229 O PHE A 73 -8.996 -6.407 -3.802 1.00 71.35 O ATOM 1230 CB PHE A 73 -7.872 -3.284 -3.943 1.00 25.40 C ATOM 1231 CG PHE A 73 -8.324 -3.361 -2.511 1.00 54.42 C ATOM 1232 CD1 PHE A 73 -7.401 -3.513 -1.488 1.00 63.34 C ATOM 1233 CD2 PHE A 73 -9.669 -3.275 -2.186 1.00 41.54 C ATOM 1234 CE1 PHE A 73 -7.810 -3.579 -0.172 1.00 43.42 C ATOM 1235 CE2 PHE A 73 -10.083 -3.341 -0.871 1.00 41.22 C ATOM 1236 CZ PHE A 73 -9.152 -3.492 0.138 1.00 4.44 C ATOM 0 H PHE A 73 -6.919 -3.504 -6.207 1.00 54.52 H new ATOM 0 HA PHE A 73 -6.801 -5.148 -3.938 1.00 65.32 H new ATOM 0 HB2 PHE A 73 -6.991 -2.645 -4.002 1.00 25.40 H new ATOM 0 HB3 PHE A 73 -8.652 -2.806 -4.535 1.00 25.40 H new ATOM 0 HD1 PHE A 73 -6.349 -3.581 -1.724 1.00 63.34 H new ATOM 0 HD2 PHE A 73 -10.401 -3.155 -2.971 1.00 41.54 H new ATOM 0 HE1 PHE A 73 -7.080 -3.699 0.615 1.00 43.42 H new ATOM 0 HE2 PHE A 73 -11.134 -3.275 -0.631 1.00 41.22 H new ATOM 0 HZ PHE A 73 -9.474 -3.542 1.168 1.00 4.44 H new ATOM 1246 N ARG A 74 -9.630 -5.263 -5.632 1.00 3.10 N ATOM 1247 CA ARG A 74 -10.885 -5.991 -5.799 1.00 72.44 C ATOM 1248 C ARG A 74 -10.685 -7.263 -6.623 1.00 32.11 C ATOM 1249 O ARG A 74 -11.651 -7.908 -7.026 1.00 62.35 O ATOM 1250 CB ARG A 74 -11.933 -5.106 -6.481 1.00 0.31 C ATOM 1251 CG ARG A 74 -11.473 -4.527 -7.810 1.00 75.35 C ATOM 1252 CD ARG A 74 -12.630 -3.969 -8.618 1.00 44.30 C ATOM 1253 NE ARG A 74 -13.548 -5.028 -9.034 1.00 1.32 N ATOM 1254 CZ ARG A 74 -14.143 -5.083 -10.225 1.00 65.35 C ATOM 1255 NH1 ARG A 74 -13.904 -4.153 -11.144 1.00 72.11 N ATOM 1256 NH2 ARG A 74 -14.963 -6.087 -10.504 1.00 33.31 N ATOM 0 H ARG A 74 -9.456 -4.558 -6.348 1.00 3.10 H new ATOM 0 HA ARG A 74 -11.235 -6.270 -4.805 1.00 72.44 H new ATOM 0 HB2 ARG A 74 -12.839 -5.690 -6.643 1.00 0.31 H new ATOM 0 HB3 ARG A 74 -12.197 -4.288 -5.810 1.00 0.31 H new ATOM 0 HG2 ARG A 74 -10.744 -3.738 -7.628 1.00 75.35 H new ATOM 0 HG3 ARG A 74 -10.968 -5.301 -8.387 1.00 75.35 H new ATOM 0 HD2 ARG A 74 -13.169 -3.231 -8.024 1.00 44.30 H new ATOM 0 HD3 ARG A 74 -12.246 -3.452 -9.497 1.00 44.30 H new ATOM 0 HE ARG A 74 -13.746 -5.775 -8.368 1.00 1.32 H new ATOM 0 HH11 ARG A 74 -13.260 -3.388 -10.940 1.00 72.11 H new ATOM 0 HH12 ARG A 74 -14.364 -4.204 -12.053 1.00 72.11 H new ATOM 0 HH21 ARG A 74 -15.136 -6.813 -9.808 1.00 33.31 H new ATOM 0 HH22 ARG A 74 -15.421 -6.134 -11.414 1.00 33.31 H new ATOM 1270 N LEU A 75 -9.437 -7.618 -6.878 1.00 4.21 N ATOM 1271 CA LEU A 75 -9.137 -8.800 -7.674 1.00 71.13 C ATOM 1272 C LEU A 75 -8.758 -9.978 -6.784 1.00 33.42 C ATOM 1273 O LEU A 75 -9.006 -11.134 -7.130 1.00 32.23 O ATOM 1274 CB LEU A 75 -7.995 -8.512 -8.654 1.00 13.42 C ATOM 1275 CG LEU A 75 -7.607 -9.679 -9.567 1.00 71.13 C ATOM 1276 CD1 LEU A 75 -8.739 -10.013 -10.526 1.00 44.02 C ATOM 1277 CD2 LEU A 75 -6.332 -9.357 -10.330 1.00 40.15 C ATOM 0 H LEU A 75 -8.617 -7.108 -6.548 1.00 4.21 H new ATOM 0 HA LEU A 75 -10.036 -9.059 -8.234 1.00 71.13 H new ATOM 0 HB2 LEU A 75 -8.278 -7.663 -9.277 1.00 13.42 H new ATOM 0 HB3 LEU A 75 -7.116 -8.210 -8.084 1.00 13.42 H new ATOM 0 HG LEU A 75 -7.422 -10.554 -8.944 1.00 71.13 H new ATOM 0 HD11 LEU A 75 -8.441 -10.845 -11.165 1.00 44.02 H new ATOM 0 HD12 LEU A 75 -9.627 -10.291 -9.958 1.00 44.02 H new ATOM 0 HD13 LEU A 75 -8.961 -9.143 -11.144 1.00 44.02 H new ATOM 0 HD21 LEU A 75 -6.071 -10.197 -10.974 1.00 40.15 H new ATOM 0 HD22 LEU A 75 -6.488 -8.467 -10.940 1.00 40.15 H new ATOM 0 HD23 LEU A 75 -5.522 -9.175 -9.624 1.00 40.15 H new ATOM 1289 N ARG A 76 -8.172 -9.683 -5.630 1.00 42.32 N ATOM 1290 CA ARG A 76 -7.605 -10.727 -4.782 1.00 1.51 C ATOM 1291 C ARG A 76 -8.373 -10.880 -3.460 1.00 54.12 C ATOM 1292 O ARG A 76 -7.856 -11.441 -2.501 1.00 2.22 O ATOM 1293 CB ARG A 76 -6.125 -10.421 -4.505 1.00 20.33 C ATOM 1294 CG ARG A 76 -5.373 -11.563 -3.834 1.00 74.53 C ATOM 1295 CD ARG A 76 -4.013 -11.128 -3.324 1.00 33.21 C ATOM 1296 NE ARG A 76 -3.406 -12.148 -2.470 1.00 62.15 N ATOM 1297 CZ ARG A 76 -2.776 -11.883 -1.331 1.00 30.00 C ATOM 1298 NH1 ARG A 76 -2.606 -10.630 -0.938 1.00 41.34 N ATOM 1299 NH2 ARG A 76 -2.315 -12.872 -0.580 1.00 44.12 N ATOM 0 H ARG A 76 -8.077 -8.737 -5.261 1.00 42.32 H new ATOM 0 HA ARG A 76 -7.692 -11.673 -5.316 1.00 1.51 H new ATOM 0 HB2 ARG A 76 -5.632 -10.178 -5.446 1.00 20.33 H new ATOM 0 HB3 ARG A 76 -6.059 -9.535 -3.873 1.00 20.33 H new ATOM 0 HG2 ARG A 76 -5.965 -11.948 -3.004 1.00 74.53 H new ATOM 0 HG3 ARG A 76 -5.249 -12.381 -4.543 1.00 74.53 H new ATOM 0 HD2 ARG A 76 -3.356 -10.922 -4.169 1.00 33.21 H new ATOM 0 HD3 ARG A 76 -4.114 -10.198 -2.765 1.00 33.21 H new ATOM 0 HE ARG A 76 -3.470 -13.122 -2.767 1.00 62.15 H new ATOM 0 HH11 ARG A 76 -2.959 -9.863 -1.511 1.00 41.34 H new ATOM 0 HH12 ARG A 76 -2.122 -10.431 -0.063 1.00 41.34 H new ATOM 0 HH21 ARG A 76 -2.443 -13.840 -0.876 1.00 44.12 H new ATOM 0 HH22 ARG A 76 -1.832 -12.666 0.294 1.00 44.12 H new ATOM 1313 N GLN A 77 -9.627 -10.440 -3.418 1.00 25.51 N ATOM 1314 CA GLN A 77 -10.394 -10.500 -2.166 1.00 52.15 C ATOM 1315 C GLN A 77 -10.632 -11.947 -1.711 1.00 44.11 C ATOM 1316 O GLN A 77 -11.034 -12.189 -0.575 1.00 22.53 O ATOM 1317 CB GLN A 77 -11.739 -9.769 -2.284 1.00 54.33 C ATOM 1318 CG GLN A 77 -12.781 -10.482 -3.134 1.00 30.42 C ATOM 1319 CD GLN A 77 -12.680 -10.151 -4.607 1.00 14.32 C ATOM 1320 OE1 GLN A 77 -13.275 -9.180 -5.068 1.00 53.53 O ATOM 1321 NE2 GLN A 77 -11.959 -10.966 -5.362 1.00 32.14 N ATOM 0 H GLN A 77 -10.130 -10.046 -4.213 1.00 25.51 H new ATOM 0 HA GLN A 77 -9.789 -9.994 -1.414 1.00 52.15 H new ATOM 0 HB2 GLN A 77 -12.146 -9.622 -1.283 1.00 54.33 H new ATOM 0 HB3 GLN A 77 -11.563 -8.779 -2.705 1.00 54.33 H new ATOM 0 HG2 GLN A 77 -12.672 -11.559 -3.002 1.00 30.42 H new ATOM 0 HG3 GLN A 77 -13.776 -10.216 -2.776 1.00 30.42 H new ATOM 0 HE21 GLN A 77 -11.480 -11.762 -4.940 1.00 32.14 H new ATOM 0 HE22 GLN A 77 -11.883 -10.798 -6.365 1.00 32.14 H new ATOM 1330 N HIS A 78 -10.369 -12.902 -2.595 1.00 50.10 N ATOM 1331 CA HIS A 78 -10.555 -14.319 -2.283 1.00 40.14 C ATOM 1332 C HIS A 78 -9.314 -14.881 -1.583 1.00 53.02 C ATOM 1333 O HIS A 78 -9.346 -15.975 -1.018 1.00 42.00 O ATOM 1334 CB HIS A 78 -10.851 -15.087 -3.585 1.00 32.14 C ATOM 1335 CG HIS A 78 -10.944 -16.580 -3.450 1.00 23.25 C ATOM 1336 ND1 HIS A 78 -12.092 -17.235 -3.069 1.00 24.21 N ATOM 1337 CD2 HIS A 78 -10.026 -17.547 -3.689 1.00 22.05 C ATOM 1338 CE1 HIS A 78 -11.877 -18.537 -3.078 1.00 30.23 C ATOM 1339 NE2 HIS A 78 -10.631 -18.756 -3.452 1.00 54.41 N ATOM 0 H HIS A 78 -10.025 -12.722 -3.538 1.00 50.10 H new ATOM 0 HA HIS A 78 -11.398 -14.436 -1.602 1.00 40.14 H new ATOM 0 HB2 HIS A 78 -11.790 -14.718 -3.998 1.00 32.14 H new ATOM 0 HB3 HIS A 78 -10.071 -14.853 -4.309 1.00 32.14 H new ATOM 0 HD2 HIS A 78 -9.005 -17.395 -4.008 1.00 22.05 H new ATOM 0 HE1 HIS A 78 -12.601 -19.297 -2.822 1.00 30.23 H new ATOM 0 HE2 HIS A 78 -10.191 -19.671 -3.549 1.00 54.41 H new ATOM 1348 N GLU A 79 -8.222 -14.124 -1.613 1.00 32.21 N ATOM 1349 CA GLU A 79 -6.958 -14.595 -1.059 1.00 22.40 C ATOM 1350 C GLU A 79 -6.273 -13.481 -0.255 1.00 42.01 C ATOM 1351 O GLU A 79 -5.132 -13.619 0.177 1.00 2.45 O ATOM 1352 CB GLU A 79 -6.058 -15.081 -2.209 1.00 25.24 C ATOM 1353 CG GLU A 79 -4.942 -16.032 -1.789 1.00 15.45 C ATOM 1354 CD GLU A 79 -3.565 -15.421 -1.942 1.00 42.33 C ATOM 1355 OE1 GLU A 79 -3.295 -14.808 -2.994 1.00 45.52 O ATOM 1356 OE2 GLU A 79 -2.749 -15.531 -1.000 1.00 32.14 O ATOM 0 H GLU A 79 -8.187 -13.186 -2.013 1.00 32.21 H new ATOM 0 HA GLU A 79 -7.144 -15.424 -0.376 1.00 22.40 H new ATOM 0 HB2 GLU A 79 -6.680 -15.579 -2.953 1.00 25.24 H new ATOM 0 HB3 GLU A 79 -5.613 -14.213 -2.695 1.00 25.24 H new ATOM 0 HG2 GLU A 79 -5.092 -16.325 -0.750 1.00 15.45 H new ATOM 0 HG3 GLU A 79 -5.000 -16.941 -2.388 1.00 15.45 H new ATOM 1363 N LEU A 80 -6.989 -12.387 -0.034 1.00 52.13 N ATOM 1364 CA LEU A 80 -6.433 -11.228 0.654 1.00 71.30 C ATOM 1365 C LEU A 80 -7.333 -10.780 1.798 1.00 64.25 C ATOM 1366 O LEU A 80 -8.529 -10.554 1.605 1.00 32.45 O ATOM 1367 CB LEU A 80 -6.243 -10.067 -0.329 1.00 23.50 C ATOM 1368 CG LEU A 80 -5.908 -8.711 0.305 1.00 13.40 C ATOM 1369 CD1 LEU A 80 -4.526 -8.728 0.939 1.00 44.54 C ATOM 1370 CD2 LEU A 80 -6.007 -7.599 -0.726 1.00 52.51 C ATOM 0 H LEU A 80 -7.961 -12.277 -0.323 1.00 52.13 H new ATOM 0 HA LEU A 80 -5.467 -11.520 1.066 1.00 71.30 H new ATOM 0 HB2 LEU A 80 -5.446 -10.330 -1.024 1.00 23.50 H new ATOM 0 HB3 LEU A 80 -7.155 -9.958 -0.916 1.00 23.50 H new ATOM 0 HG LEU A 80 -6.637 -8.520 1.092 1.00 13.40 H new ATOM 0 HD11 LEU A 80 -4.316 -7.754 1.380 1.00 44.54 H new ATOM 0 HD12 LEU A 80 -4.491 -9.493 1.715 1.00 44.54 H new ATOM 0 HD13 LEU A 80 -3.779 -8.950 0.177 1.00 44.54 H new ATOM 0 HD21 LEU A 80 -5.766 -6.645 -0.257 1.00 52.51 H new ATOM 0 HD22 LEU A 80 -5.305 -7.792 -1.538 1.00 52.51 H new ATOM 0 HD23 LEU A 80 -7.021 -7.561 -1.124 1.00 52.51 H new ATOM 1382 N PRO A 81 -6.772 -10.671 3.011 1.00 71.11 N ATOM 1383 CA PRO A 81 -7.446 -10.037 4.138 1.00 51.12 C ATOM 1384 C PRO A 81 -7.418 -8.518 3.997 1.00 51.20 C ATOM 1385 O PRO A 81 -6.357 -7.898 4.091 1.00 32.05 O ATOM 1386 CB PRO A 81 -6.630 -10.484 5.365 1.00 55.10 C ATOM 1387 CG PRO A 81 -5.622 -11.466 4.855 1.00 71.22 C ATOM 1388 CD PRO A 81 -5.452 -11.181 3.392 1.00 74.43 C ATOM 0 HA PRO A 81 -8.497 -10.318 4.209 1.00 51.12 H new ATOM 0 HB2 PRO A 81 -6.141 -9.633 5.839 1.00 55.10 H new ATOM 0 HB3 PRO A 81 -7.274 -10.941 6.117 1.00 55.10 H new ATOM 0 HG2 PRO A 81 -4.675 -11.359 5.384 1.00 71.22 H new ATOM 0 HG3 PRO A 81 -5.962 -12.489 5.014 1.00 71.22 H new ATOM 0 HD2 PRO A 81 -4.666 -10.448 3.210 1.00 74.43 H new ATOM 0 HD3 PRO A 81 -5.187 -12.078 2.832 1.00 74.43 H new ATOM 1396 N ALA A 82 -8.579 -7.927 3.741 1.00 73.03 N ATOM 1397 CA ALA A 82 -8.678 -6.490 3.513 1.00 41.23 C ATOM 1398 C ALA A 82 -8.372 -5.706 4.783 1.00 41.40 C ATOM 1399 O ALA A 82 -9.159 -5.706 5.733 1.00 74.32 O ATOM 1400 CB ALA A 82 -10.059 -6.134 2.987 1.00 61.24 C ATOM 0 H ALA A 82 -9.469 -8.423 3.686 1.00 73.03 H new ATOM 0 HA ALA A 82 -7.935 -6.215 2.765 1.00 41.23 H new ATOM 0 HB1 ALA A 82 -10.119 -5.058 2.821 1.00 61.24 H new ATOM 0 HB2 ALA A 82 -10.236 -6.656 2.047 1.00 61.24 H new ATOM 0 HB3 ALA A 82 -10.814 -6.432 3.715 1.00 61.24 H new ATOM 1406 N MET A 83 -7.220 -5.054 4.797 1.00 72.55 N ATOM 1407 CA MET A 83 -6.798 -4.260 5.940 1.00 32.15 C ATOM 1408 C MET A 83 -6.468 -2.838 5.511 1.00 61.20 C ATOM 1409 O MET A 83 -6.803 -2.418 4.398 1.00 4.01 O ATOM 1410 CB MET A 83 -5.578 -4.891 6.619 1.00 3.22 C ATOM 1411 CG MET A 83 -5.860 -6.236 7.265 1.00 44.34 C ATOM 1412 SD MET A 83 -4.442 -6.877 8.178 1.00 13.23 S ATOM 1413 CE MET A 83 -3.225 -7.008 6.869 1.00 44.53 C ATOM 0 H MET A 83 -6.556 -5.060 4.023 1.00 72.55 H new ATOM 0 HA MET A 83 -7.622 -4.234 6.652 1.00 32.15 H new ATOM 0 HB2 MET A 83 -4.786 -5.013 5.880 1.00 3.22 H new ATOM 0 HB3 MET A 83 -5.202 -4.206 7.379 1.00 3.22 H new ATOM 0 HG2 MET A 83 -6.709 -6.139 7.941 1.00 44.34 H new ATOM 0 HG3 MET A 83 -6.146 -6.952 6.495 1.00 44.34 H new ATOM 0 HE1 MET A 83 -2.420 -7.671 7.186 1.00 44.53 H new ATOM 0 HE2 MET A 83 -3.696 -7.412 5.973 1.00 44.53 H new ATOM 0 HE3 MET A 83 -2.817 -6.021 6.651 1.00 44.53 H new ATOM 1423 N ASP A 84 -5.811 -2.112 6.399 1.00 13.12 N ATOM 1424 CA ASP A 84 -5.466 -0.716 6.165 1.00 45.23 C ATOM 1425 C ASP A 84 -4.064 -0.615 5.569 1.00 62.33 C ATOM 1426 O ASP A 84 -3.079 -1.019 6.200 1.00 44.12 O ATOM 1427 CB ASP A 84 -5.549 0.050 7.489 1.00 34.54 C ATOM 1428 CG ASP A 84 -5.281 1.536 7.351 1.00 64.14 C ATOM 1429 OD1 ASP A 84 -4.103 1.920 7.216 1.00 41.14 O ATOM 1430 OD2 ASP A 84 -6.240 2.330 7.446 1.00 62.15 O ATOM 0 H ASP A 84 -5.501 -2.471 7.302 1.00 13.12 H new ATOM 0 HA ASP A 84 -6.168 -0.278 5.455 1.00 45.23 H new ATOM 0 HB2 ASP A 84 -6.540 -0.093 7.920 1.00 34.54 H new ATOM 0 HB3 ASP A 84 -4.832 -0.376 8.191 1.00 34.54 H new ATOM 1435 N PHE A 85 -3.980 -0.111 4.343 1.00 64.23 N ATOM 1436 CA PHE A 85 -2.703 0.017 3.649 1.00 10.51 C ATOM 1437 C PHE A 85 -2.569 1.398 3.020 1.00 2.34 C ATOM 1438 O PHE A 85 -3.536 1.935 2.477 1.00 41.22 O ATOM 1439 CB PHE A 85 -2.574 -1.039 2.545 1.00 34.33 C ATOM 1440 CG PHE A 85 -2.649 -2.462 3.027 1.00 51.03 C ATOM 1441 CD1 PHE A 85 -1.549 -3.069 3.611 1.00 33.43 C ATOM 1442 CD2 PHE A 85 -3.815 -3.196 2.883 1.00 74.22 C ATOM 1443 CE1 PHE A 85 -1.612 -4.379 4.048 1.00 0.42 C ATOM 1444 CE2 PHE A 85 -3.883 -4.509 3.314 1.00 40.12 C ATOM 1445 CZ PHE A 85 -2.780 -5.100 3.896 1.00 52.02 C ATOM 0 H PHE A 85 -4.784 0.217 3.807 1.00 64.23 H new ATOM 0 HA PHE A 85 -1.914 -0.129 4.387 1.00 10.51 H new ATOM 0 HB2 PHE A 85 -3.363 -0.876 1.811 1.00 34.33 H new ATOM 0 HB3 PHE A 85 -1.624 -0.893 2.030 1.00 34.33 H new ATOM 0 HD1 PHE A 85 -0.631 -2.512 3.726 1.00 33.43 H new ATOM 0 HD2 PHE A 85 -4.681 -2.738 2.429 1.00 74.22 H new ATOM 0 HE1 PHE A 85 -0.749 -4.838 4.508 1.00 0.42 H new ATOM 0 HE2 PHE A 85 -4.798 -5.071 3.195 1.00 40.12 H new ATOM 0 HZ PHE A 85 -2.830 -6.125 4.232 1.00 52.02 H new ATOM 1455 N VAL A 86 -1.374 1.965 3.081 1.00 5.12 N ATOM 1456 CA VAL A 86 -1.098 3.228 2.421 1.00 0.53 C ATOM 1457 C VAL A 86 -0.089 3.022 1.296 1.00 11.22 C ATOM 1458 O VAL A 86 1.024 2.540 1.513 1.00 24.54 O ATOM 1459 CB VAL A 86 -0.600 4.318 3.401 1.00 2.11 C ATOM 1460 CG1 VAL A 86 -1.736 4.763 4.312 1.00 61.15 C ATOM 1461 CG2 VAL A 86 0.583 3.824 4.224 1.00 75.02 C ATOM 0 H VAL A 86 -0.579 1.568 3.582 1.00 5.12 H new ATOM 0 HA VAL A 86 -2.040 3.586 2.005 1.00 0.53 H new ATOM 0 HB VAL A 86 -0.262 5.172 2.814 1.00 2.11 H new ATOM 0 HG11 VAL A 86 -1.374 5.530 4.997 1.00 61.15 H new ATOM 0 HG12 VAL A 86 -2.548 5.169 3.709 1.00 61.15 H new ATOM 0 HG13 VAL A 86 -2.100 3.909 4.883 1.00 61.15 H new ATOM 0 HG21 VAL A 86 0.909 4.613 4.902 1.00 75.02 H new ATOM 0 HG22 VAL A 86 0.284 2.949 4.802 1.00 75.02 H new ATOM 0 HG23 VAL A 86 1.403 3.556 3.558 1.00 75.02 H new ATOM 1471 N VAL A 87 -0.496 3.364 0.089 1.00 25.52 N ATOM 1472 CA VAL A 87 0.317 3.122 -1.088 1.00 61.11 C ATOM 1473 C VAL A 87 1.082 4.381 -1.485 1.00 65.34 C ATOM 1474 O VAL A 87 0.515 5.304 -2.070 1.00 4.12 O ATOM 1475 CB VAL A 87 -0.555 2.650 -2.271 1.00 43.21 C ATOM 1476 CG1 VAL A 87 0.308 2.266 -3.460 1.00 34.10 C ATOM 1477 CG2 VAL A 87 -1.445 1.488 -1.856 1.00 72.01 C ATOM 0 H VAL A 87 -1.391 3.813 -0.103 1.00 25.52 H new ATOM 0 HA VAL A 87 1.031 2.336 -0.841 1.00 61.11 H new ATOM 0 HB VAL A 87 -1.195 3.480 -2.570 1.00 43.21 H new ATOM 0 HG11 VAL A 87 -0.329 1.937 -4.281 1.00 34.10 H new ATOM 0 HG12 VAL A 87 0.893 3.129 -3.778 1.00 34.10 H new ATOM 0 HG13 VAL A 87 0.980 1.457 -3.175 1.00 34.10 H new ATOM 0 HG21 VAL A 87 -2.051 1.172 -2.705 1.00 72.01 H new ATOM 0 HG22 VAL A 87 -0.825 0.656 -1.523 1.00 72.01 H new ATOM 0 HG23 VAL A 87 -2.098 1.803 -1.042 1.00 72.01 H new ATOM 1487 N VAL A 88 2.363 4.411 -1.157 1.00 32.04 N ATOM 1488 CA VAL A 88 3.202 5.563 -1.442 1.00 64.21 C ATOM 1489 C VAL A 88 3.929 5.379 -2.770 1.00 70.24 C ATOM 1490 O VAL A 88 4.813 4.526 -2.901 1.00 65.24 O ATOM 1491 CB VAL A 88 4.233 5.801 -0.318 1.00 51.11 C ATOM 1492 CG1 VAL A 88 5.048 7.056 -0.593 1.00 64.33 C ATOM 1493 CG2 VAL A 88 3.540 5.892 1.035 1.00 2.04 C ATOM 0 H VAL A 88 2.847 3.645 -0.690 1.00 32.04 H new ATOM 0 HA VAL A 88 2.551 6.435 -1.503 1.00 64.21 H new ATOM 0 HB VAL A 88 4.916 4.952 -0.294 1.00 51.11 H new ATOM 0 HG11 VAL A 88 5.769 7.205 0.211 1.00 64.33 H new ATOM 0 HG12 VAL A 88 5.578 6.946 -1.539 1.00 64.33 H new ATOM 0 HG13 VAL A 88 4.382 7.917 -0.648 1.00 64.33 H new ATOM 0 HG21 VAL A 88 4.284 6.060 1.814 1.00 2.04 H new ATOM 0 HG22 VAL A 88 2.831 6.720 1.026 1.00 2.04 H new ATOM 0 HG23 VAL A 88 3.009 4.961 1.235 1.00 2.04 H new ATOM 1503 N ALA A 89 3.547 6.177 -3.752 1.00 1.10 N ATOM 1504 CA ALA A 89 4.135 6.093 -5.077 1.00 43.53 C ATOM 1505 C ALA A 89 5.368 6.983 -5.184 1.00 1.55 C ATOM 1506 O ALA A 89 5.361 8.131 -4.733 1.00 1.22 O ATOM 1507 CB ALA A 89 3.109 6.474 -6.132 1.00 20.32 C ATOM 0 H ALA A 89 2.828 6.894 -3.655 1.00 1.10 H new ATOM 0 HA ALA A 89 4.448 5.063 -5.248 1.00 43.53 H new ATOM 0 HB1 ALA A 89 3.562 6.407 -7.121 1.00 20.32 H new ATOM 0 HB2 ALA A 89 2.259 5.794 -6.075 1.00 20.32 H new ATOM 0 HB3 ALA A 89 2.769 7.495 -5.957 1.00 20.32 H new ATOM 1513 N LYS A 90 6.426 6.450 -5.777 1.00 23.11 N ATOM 1514 CA LYS A 90 7.660 7.201 -5.957 1.00 12.34 C ATOM 1515 C LYS A 90 7.696 7.841 -7.341 1.00 40.33 C ATOM 1516 O LYS A 90 6.826 7.579 -8.177 1.00 54.22 O ATOM 1517 CB LYS A 90 8.871 6.285 -5.761 1.00 34.34 C ATOM 1518 CG LYS A 90 8.961 5.679 -4.368 1.00 64.32 C ATOM 1519 CD LYS A 90 9.169 6.748 -3.307 1.00 43.11 C ATOM 1520 CE LYS A 90 9.246 6.145 -1.913 1.00 30.15 C ATOM 1521 NZ LYS A 90 9.535 7.176 -0.880 1.00 64.22 N ATOM 0 H LYS A 90 6.455 5.498 -6.143 1.00 23.11 H new ATOM 0 HA LYS A 90 7.698 7.993 -5.209 1.00 12.34 H new ATOM 0 HB2 LYS A 90 8.830 5.481 -6.495 1.00 34.34 H new ATOM 0 HB3 LYS A 90 9.780 6.852 -5.960 1.00 34.34 H new ATOM 0 HG2 LYS A 90 8.048 5.124 -4.152 1.00 64.32 H new ATOM 0 HG3 LYS A 90 9.784 4.965 -4.333 1.00 64.32 H new ATOM 0 HD2 LYS A 90 10.087 7.297 -3.518 1.00 43.11 H new ATOM 0 HD3 LYS A 90 8.351 7.467 -3.349 1.00 43.11 H new ATOM 0 HE2 LYS A 90 8.304 5.650 -1.679 1.00 30.15 H new ATOM 0 HE3 LYS A 90 10.022 5.380 -1.890 1.00 30.15 H new ATOM 0 HZ1 LYS A 90 9.580 6.726 0.057 1.00 64.22 H new ATOM 0 HZ2 LYS A 90 10.446 7.631 -1.089 1.00 64.22 H new ATOM 0 HZ3 LYS A 90 8.781 7.892 -0.884 1.00 64.22 H new ATOM 1535 N LYS A 91 8.694 8.681 -7.580 1.00 23.31 N ATOM 1536 CA LYS A 91 8.814 9.372 -8.856 1.00 73.30 C ATOM 1537 C LYS A 91 9.069 8.382 -9.985 1.00 34.14 C ATOM 1538 O LYS A 91 9.934 7.515 -9.884 1.00 23.22 O ATOM 1539 CB LYS A 91 9.944 10.405 -8.817 1.00 3.52 C ATOM 1540 CG LYS A 91 9.752 11.501 -7.778 1.00 41.22 C ATOM 1541 CD LYS A 91 10.832 12.563 -7.898 1.00 45.14 C ATOM 1542 CE LYS A 91 10.709 13.331 -9.205 1.00 10.23 C ATOM 1543 NZ LYS A 91 11.902 14.176 -9.464 1.00 14.11 N ATOM 0 H LYS A 91 9.430 8.900 -6.909 1.00 23.31 H new ATOM 0 HA LYS A 91 7.871 9.888 -9.040 1.00 73.30 H new ATOM 0 HB2 LYS A 91 10.884 9.891 -8.617 1.00 3.52 H new ATOM 0 HB3 LYS A 91 10.035 10.865 -9.801 1.00 3.52 H new ATOM 0 HG2 LYS A 91 8.771 11.959 -7.905 1.00 41.22 H new ATOM 0 HG3 LYS A 91 9.774 11.067 -6.778 1.00 41.22 H new ATOM 0 HD2 LYS A 91 10.759 13.255 -7.059 1.00 45.14 H new ATOM 0 HD3 LYS A 91 11.814 12.094 -7.840 1.00 45.14 H new ATOM 0 HE2 LYS A 91 10.576 12.629 -10.028 1.00 10.23 H new ATOM 0 HE3 LYS A 91 9.819 13.959 -9.175 1.00 10.23 H new ATOM 0 HZ1 LYS A 91 11.780 14.683 -10.364 1.00 14.11 H new ATOM 0 HZ2 LYS A 91 12.015 14.863 -8.692 1.00 14.11 H new ATOM 0 HZ3 LYS A 91 12.748 13.574 -9.518 1.00 14.11 H new ATOM 1557 N GLY A 92 8.297 8.512 -11.054 1.00 30.34 N ATOM 1558 CA GLY A 92 8.466 7.641 -12.198 1.00 63.54 C ATOM 1559 C GLY A 92 7.391 6.576 -12.275 1.00 54.20 C ATOM 1560 O GLY A 92 7.311 5.843 -13.255 1.00 31.32 O ATOM 0 H GLY A 92 7.556 9.206 -11.149 1.00 30.34 H new ATOM 0 HA2 GLY A 92 8.450 8.237 -13.111 1.00 63.54 H new ATOM 0 HA3 GLY A 92 9.444 7.163 -12.146 1.00 63.54 H new ATOM 1564 N VAL A 93 6.552 6.506 -11.245 1.00 22.22 N ATOM 1565 CA VAL A 93 5.479 5.513 -11.183 1.00 52.23 C ATOM 1566 C VAL A 93 4.500 5.668 -12.355 1.00 25.52 C ATOM 1567 O VAL A 93 3.869 4.704 -12.783 1.00 64.32 O ATOM 1568 CB VAL A 93 4.709 5.615 -9.845 1.00 45.32 C ATOM 1569 CG1 VAL A 93 3.949 6.932 -9.750 1.00 61.11 C ATOM 1570 CG2 VAL A 93 3.770 4.432 -9.663 1.00 71.32 C ATOM 0 H VAL A 93 6.594 7.128 -10.437 1.00 22.22 H new ATOM 0 HA VAL A 93 5.946 4.531 -11.251 1.00 52.23 H new ATOM 0 HB VAL A 93 5.440 5.590 -9.037 1.00 45.32 H new ATOM 0 HG11 VAL A 93 3.417 6.977 -8.800 1.00 61.11 H new ATOM 0 HG12 VAL A 93 4.652 7.763 -9.812 1.00 61.11 H new ATOM 0 HG13 VAL A 93 3.234 6.999 -10.570 1.00 61.11 H new ATOM 0 HG21 VAL A 93 3.242 4.529 -8.715 1.00 71.32 H new ATOM 0 HG22 VAL A 93 3.049 4.411 -10.480 1.00 71.32 H new ATOM 0 HG23 VAL A 93 4.346 3.507 -9.664 1.00 71.32 H new ATOM 1580 N ALA A 94 4.394 6.885 -12.880 1.00 75.41 N ATOM 1581 CA ALA A 94 3.471 7.169 -13.971 1.00 13.04 C ATOM 1582 C ALA A 94 4.075 6.781 -15.318 1.00 3.32 C ATOM 1583 O ALA A 94 3.376 6.693 -16.327 1.00 52.32 O ATOM 1584 CB ALA A 94 3.091 8.643 -13.966 1.00 52.25 C ATOM 0 H ALA A 94 4.937 7.690 -12.567 1.00 75.41 H new ATOM 0 HA ALA A 94 2.572 6.571 -13.821 1.00 13.04 H new ATOM 0 HB1 ALA A 94 2.401 8.844 -14.786 1.00 52.25 H new ATOM 0 HB2 ALA A 94 2.612 8.892 -13.019 1.00 52.25 H new ATOM 0 HB3 ALA A 94 3.988 9.250 -14.090 1.00 52.25 H new ATOM 1590 N ASP A 95 5.379 6.536 -15.323 1.00 43.11 N ATOM 1591 CA ASP A 95 6.093 6.199 -16.550 1.00 73.22 C ATOM 1592 C ASP A 95 6.130 4.681 -16.723 1.00 35.43 C ATOM 1593 O ASP A 95 7.192 4.063 -16.824 1.00 65.45 O ATOM 1594 CB ASP A 95 7.508 6.793 -16.517 1.00 52.54 C ATOM 1595 CG ASP A 95 8.249 6.631 -17.829 1.00 73.20 C ATOM 1596 OD1 ASP A 95 7.675 6.953 -18.887 1.00 11.10 O ATOM 1597 OD2 ASP A 95 9.422 6.204 -17.806 1.00 55.04 O ATOM 0 H ASP A 95 5.966 6.564 -14.489 1.00 43.11 H new ATOM 0 HA ASP A 95 5.571 6.628 -17.406 1.00 73.22 H new ATOM 0 HB2 ASP A 95 7.446 7.853 -16.270 1.00 52.54 H new ATOM 0 HB3 ASP A 95 8.079 6.313 -15.722 1.00 52.54 H new ATOM 1602 N LEU A 96 4.947 4.089 -16.734 1.00 71.31 N ATOM 1603 CA LEU A 96 4.802 2.647 -16.841 1.00 35.11 C ATOM 1604 C LEU A 96 4.537 2.224 -18.284 1.00 31.01 C ATOM 1605 O LEU A 96 4.276 3.060 -19.151 1.00 0.25 O ATOM 1606 CB LEU A 96 3.676 2.163 -15.913 1.00 43.35 C ATOM 1607 CG LEU A 96 2.360 2.960 -15.972 1.00 43.14 C ATOM 1608 CD1 LEU A 96 1.561 2.627 -17.224 1.00 53.22 C ATOM 1609 CD2 LEU A 96 1.529 2.695 -14.728 1.00 45.02 C ATOM 0 H LEU A 96 4.063 4.593 -16.669 1.00 71.31 H new ATOM 0 HA LEU A 96 5.738 2.182 -16.530 1.00 35.11 H new ATOM 0 HB2 LEU A 96 3.458 1.122 -16.152 1.00 43.35 H new ATOM 0 HB3 LEU A 96 4.044 2.184 -14.887 1.00 43.35 H new ATOM 0 HG LEU A 96 2.613 4.020 -16.012 1.00 43.14 H new ATOM 0 HD11 LEU A 96 0.639 3.208 -17.232 1.00 53.22 H new ATOM 0 HD12 LEU A 96 2.151 2.870 -18.108 1.00 53.22 H new ATOM 0 HD13 LEU A 96 1.320 1.564 -17.230 1.00 53.22 H new ATOM 0 HD21 LEU A 96 0.601 3.264 -14.782 1.00 45.02 H new ATOM 0 HD22 LEU A 96 1.299 1.632 -14.664 1.00 45.02 H new ATOM 0 HD23 LEU A 96 2.090 2.999 -13.844 1.00 45.02 H new ATOM 1621 N ASP A 97 4.605 0.922 -18.524 1.00 43.22 N ATOM 1622 CA ASP A 97 4.341 0.362 -19.843 1.00 72.31 C ATOM 1623 C ASP A 97 3.207 -0.652 -19.748 1.00 61.10 C ATOM 1624 O ASP A 97 3.047 -1.300 -18.713 1.00 33.33 O ATOM 1625 CB ASP A 97 5.605 -0.301 -20.395 1.00 53.03 C ATOM 1626 CG ASP A 97 5.373 -0.968 -21.732 1.00 13.30 C ATOM 1627 OD1 ASP A 97 5.428 -0.274 -22.764 1.00 52.15 O ATOM 1628 OD2 ASP A 97 5.115 -2.186 -21.754 1.00 13.01 O ATOM 0 H ASP A 97 4.843 0.228 -17.816 1.00 43.22 H new ATOM 0 HA ASP A 97 4.046 1.162 -20.523 1.00 72.31 H new ATOM 0 HB2 ASP A 97 6.389 0.449 -20.498 1.00 53.03 H new ATOM 0 HB3 ASP A 97 5.964 -1.042 -19.681 1.00 53.03 H new ATOM 1633 N ASN A 98 2.432 -0.794 -20.823 1.00 2.23 N ATOM 1634 CA ASN A 98 1.265 -1.681 -20.827 1.00 51.15 C ATOM 1635 C ASN A 98 1.659 -3.127 -20.557 1.00 62.31 C ATOM 1636 O ASN A 98 0.911 -3.878 -19.932 1.00 60.34 O ATOM 1637 CB ASN A 98 0.514 -1.597 -22.159 1.00 4.42 C ATOM 1638 CG ASN A 98 -0.276 -0.311 -22.308 1.00 35.11 C ATOM 1639 OD1 ASN A 98 -1.437 -0.235 -21.903 1.00 53.40 O ATOM 1640 ND2 ASN A 98 0.336 0.705 -22.895 1.00 74.55 N ATOM 0 H ASN A 98 2.590 -0.306 -21.705 1.00 2.23 H new ATOM 0 HA ASN A 98 0.608 -1.344 -20.025 1.00 51.15 H new ATOM 0 HB2 ASN A 98 1.228 -1.677 -22.979 1.00 4.42 H new ATOM 0 HB3 ASN A 98 -0.164 -2.446 -22.243 1.00 4.42 H new ATOM 0 HD21 ASN A 98 -0.155 1.590 -23.025 1.00 74.55 H new ATOM 0 HD22 ASN A 98 1.298 0.603 -23.217 1.00 74.55 H new ATOM 1647 N ARG A 99 2.836 -3.509 -21.016 1.00 50.21 N ATOM 1648 CA ARG A 99 3.331 -4.861 -20.822 1.00 54.44 C ATOM 1649 C ARG A 99 3.901 -5.000 -19.418 1.00 1.52 C ATOM 1650 O ARG A 99 3.602 -5.956 -18.700 1.00 41.32 O ATOM 1651 CB ARG A 99 4.412 -5.165 -21.858 1.00 74.32 C ATOM 1652 CG ARG A 99 4.862 -6.616 -21.898 1.00 55.42 C ATOM 1653 CD ARG A 99 6.081 -6.773 -22.791 1.00 24.13 C ATOM 1654 NE ARG A 99 5.937 -6.043 -24.053 1.00 1.13 N ATOM 1655 CZ ARG A 99 6.893 -5.953 -24.978 1.00 60.44 C ATOM 1656 NH1 ARG A 99 8.052 -6.571 -24.804 1.00 34.21 N ATOM 1657 NH2 ARG A 99 6.688 -5.236 -26.078 1.00 1.12 N ATOM 0 H ARG A 99 3.472 -2.898 -21.529 1.00 50.21 H new ATOM 0 HA ARG A 99 2.511 -5.569 -20.945 1.00 54.44 H new ATOM 0 HB2 ARG A 99 4.040 -4.887 -22.844 1.00 74.32 H new ATOM 0 HB3 ARG A 99 5.278 -4.535 -21.655 1.00 74.32 H new ATOM 0 HG2 ARG A 99 5.097 -6.958 -20.890 1.00 55.42 H new ATOM 0 HG3 ARG A 99 4.051 -7.244 -22.267 1.00 55.42 H new ATOM 0 HD2 ARG A 99 6.965 -6.414 -22.264 1.00 24.13 H new ATOM 0 HD3 ARG A 99 6.243 -7.830 -23.001 1.00 24.13 H new ATOM 0 HE ARG A 99 5.050 -5.574 -24.235 1.00 1.13 H new ATOM 0 HH11 ARG A 99 8.216 -7.119 -23.959 1.00 34.21 H new ATOM 0 HH12 ARG A 99 8.780 -6.499 -25.515 1.00 34.21 H new ATOM 0 HH21 ARG A 99 5.799 -4.754 -26.215 1.00 1.12 H new ATOM 0 HH22 ARG A 99 7.419 -5.167 -26.786 1.00 1.12 H new ATOM 1671 N ALA A 100 4.698 -4.010 -19.030 1.00 10.53 N ATOM 1672 CA ALA A 100 5.407 -4.030 -17.757 1.00 20.52 C ATOM 1673 C ALA A 100 4.462 -3.962 -16.560 1.00 74.10 C ATOM 1674 O ALA A 100 4.721 -4.582 -15.531 1.00 42.50 O ATOM 1675 CB ALA A 100 6.408 -2.889 -17.700 1.00 12.25 C ATOM 0 H ALA A 100 4.870 -3.174 -19.588 1.00 10.53 H new ATOM 0 HA ALA A 100 5.933 -4.983 -17.696 1.00 20.52 H new ATOM 0 HB1 ALA A 100 6.933 -2.913 -16.745 1.00 12.25 H new ATOM 0 HB2 ALA A 100 7.127 -2.995 -18.512 1.00 12.25 H new ATOM 0 HB3 ALA A 100 5.883 -1.939 -17.802 1.00 12.25 H new ATOM 1681 N LEU A 101 3.363 -3.221 -16.691 1.00 14.42 N ATOM 1682 CA LEU A 101 2.435 -3.045 -15.575 1.00 62.25 C ATOM 1683 C LEU A 101 1.793 -4.372 -15.176 1.00 60.11 C ATOM 1684 O LEU A 101 1.426 -4.568 -14.022 1.00 71.51 O ATOM 1685 CB LEU A 101 1.368 -1.975 -15.895 1.00 62.14 C ATOM 1686 CG LEU A 101 0.462 -2.229 -17.112 1.00 2.12 C ATOM 1687 CD1 LEU A 101 -0.675 -3.179 -16.768 1.00 44.13 C ATOM 1688 CD2 LEU A 101 -0.093 -0.913 -17.640 1.00 74.45 C ATOM 0 H LEU A 101 3.095 -2.738 -17.548 1.00 14.42 H new ATOM 0 HA LEU A 101 3.009 -2.688 -14.720 1.00 62.25 H new ATOM 0 HB2 LEU A 101 0.731 -1.860 -15.018 1.00 62.14 H new ATOM 0 HB3 LEU A 101 1.878 -1.024 -16.046 1.00 62.14 H new ATOM 0 HG LEU A 101 1.067 -2.697 -17.888 1.00 2.12 H new ATOM 0 HD11 LEU A 101 -1.296 -3.337 -17.650 1.00 44.13 H new ATOM 0 HD12 LEU A 101 -0.265 -4.133 -16.437 1.00 44.13 H new ATOM 0 HD13 LEU A 101 -1.280 -2.748 -15.970 1.00 44.13 H new ATOM 0 HD21 LEU A 101 -0.732 -1.107 -18.501 1.00 74.45 H new ATOM 0 HD22 LEU A 101 -0.675 -0.424 -16.859 1.00 74.45 H new ATOM 0 HD23 LEU A 101 0.731 -0.264 -17.939 1.00 74.45 H new ATOM 1700 N SER A 102 1.685 -5.290 -16.128 1.00 15.14 N ATOM 1701 CA SER A 102 1.104 -6.593 -15.856 1.00 1.34 C ATOM 1702 C SER A 102 2.143 -7.495 -15.194 1.00 13.51 C ATOM 1703 O SER A 102 1.810 -8.363 -14.388 1.00 64.43 O ATOM 1704 CB SER A 102 0.590 -7.224 -17.156 1.00 54.31 C ATOM 1705 OG SER A 102 -0.186 -8.384 -16.900 1.00 73.53 O ATOM 0 H SER A 102 1.992 -5.155 -17.091 1.00 15.14 H new ATOM 0 HA SER A 102 0.261 -6.474 -15.176 1.00 1.34 H new ATOM 0 HB2 SER A 102 -0.011 -6.497 -17.702 1.00 54.31 H new ATOM 0 HB3 SER A 102 1.435 -7.484 -17.794 1.00 54.31 H new ATOM 0 HG SER A 102 -0.500 -8.761 -17.748 1.00 73.53 H new ATOM 1711 N GLU A 103 3.407 -7.260 -15.524 1.00 1.23 N ATOM 1712 CA GLU A 103 4.500 -8.040 -14.962 1.00 34.55 C ATOM 1713 C GLU A 103 4.740 -7.636 -13.513 1.00 11.34 C ATOM 1714 O GLU A 103 5.056 -8.471 -12.665 1.00 13.43 O ATOM 1715 CB GLU A 103 5.782 -7.839 -15.777 1.00 70.04 C ATOM 1716 CG GLU A 103 5.588 -8.012 -17.274 1.00 41.34 C ATOM 1717 CD GLU A 103 6.889 -7.925 -18.044 1.00 30.32 C ATOM 1718 OE1 GLU A 103 7.587 -6.894 -17.938 1.00 73.55 O ATOM 1719 OE2 GLU A 103 7.216 -8.884 -18.770 1.00 0.51 O ATOM 0 H GLU A 103 3.700 -6.535 -16.179 1.00 1.23 H new ATOM 0 HA GLU A 103 4.225 -9.094 -15.000 1.00 34.55 H new ATOM 0 HB2 GLU A 103 6.172 -6.840 -15.583 1.00 70.04 H new ATOM 0 HB3 GLU A 103 6.535 -8.548 -15.433 1.00 70.04 H new ATOM 0 HG2 GLU A 103 5.120 -8.977 -17.467 1.00 41.34 H new ATOM 0 HG3 GLU A 103 4.903 -7.247 -17.639 1.00 41.34 H new ATOM 1726 N ALA A 104 4.584 -6.346 -13.239 1.00 12.42 N ATOM 1727 CA ALA A 104 4.766 -5.818 -11.895 1.00 50.33 C ATOM 1728 C ALA A 104 3.528 -6.064 -11.037 1.00 74.03 C ATOM 1729 O ALA A 104 3.603 -6.066 -9.809 1.00 24.43 O ATOM 1730 CB ALA A 104 5.086 -4.334 -11.954 1.00 62.24 C ATOM 0 H ALA A 104 4.331 -5.644 -13.935 1.00 12.42 H new ATOM 0 HA ALA A 104 5.604 -6.341 -11.433 1.00 50.33 H new ATOM 0 HB1 ALA A 104 5.220 -3.950 -10.943 1.00 62.24 H new ATOM 0 HB2 ALA A 104 6.002 -4.182 -12.524 1.00 62.24 H new ATOM 0 HB3 ALA A 104 4.266 -3.804 -12.438 1.00 62.24 H new ATOM 1736 N LEU A 105 2.399 -6.290 -11.695 1.00 62.04 N ATOM 1737 CA LEU A 105 1.130 -6.515 -11.008 1.00 53.42 C ATOM 1738 C LEU A 105 1.228 -7.736 -10.096 1.00 12.52 C ATOM 1739 O LEU A 105 0.782 -7.707 -8.948 1.00 34.32 O ATOM 1740 CB LEU A 105 0.008 -6.698 -12.044 1.00 0.34 C ATOM 1741 CG LEU A 105 -1.430 -6.535 -11.530 1.00 32.10 C ATOM 1742 CD1 LEU A 105 -2.373 -6.280 -12.695 1.00 35.23 C ATOM 1743 CD2 LEU A 105 -1.889 -7.763 -10.753 1.00 12.14 C ATOM 0 H LEU A 105 2.334 -6.323 -12.712 1.00 62.04 H new ATOM 0 HA LEU A 105 0.899 -5.649 -10.388 1.00 53.42 H new ATOM 0 HB2 LEU A 105 0.166 -5.981 -12.849 1.00 0.34 H new ATOM 0 HB3 LEU A 105 0.104 -7.692 -12.480 1.00 0.34 H new ATOM 0 HG LEU A 105 -1.447 -5.682 -10.852 1.00 32.10 H new ATOM 0 HD11 LEU A 105 -3.390 -6.166 -12.321 1.00 35.23 H new ATOM 0 HD12 LEU A 105 -2.073 -5.370 -13.214 1.00 35.23 H new ATOM 0 HD13 LEU A 105 -2.333 -7.122 -13.386 1.00 35.23 H new ATOM 0 HD21 LEU A 105 -2.911 -7.612 -10.405 1.00 12.14 H new ATOM 0 HD22 LEU A 105 -1.852 -8.638 -11.401 1.00 12.14 H new ATOM 0 HD23 LEU A 105 -1.233 -7.918 -9.897 1.00 12.14 H new ATOM 1755 N GLU A 106 1.844 -8.799 -10.600 1.00 53.20 N ATOM 1756 CA GLU A 106 1.933 -10.044 -9.851 1.00 75.33 C ATOM 1757 C GLU A 106 2.915 -9.912 -8.686 1.00 42.44 C ATOM 1758 O GLU A 106 2.867 -10.697 -7.738 1.00 54.24 O ATOM 1759 CB GLU A 106 2.325 -11.204 -10.778 1.00 42.13 C ATOM 1760 CG GLU A 106 3.809 -11.286 -11.120 1.00 43.14 C ATOM 1761 CD GLU A 106 4.548 -12.294 -10.257 1.00 13.15 C ATOM 1762 OE1 GLU A 106 4.206 -13.494 -10.324 1.00 51.10 O ATOM 1763 OE2 GLU A 106 5.460 -11.901 -9.508 1.00 3.01 O ATOM 0 H GLU A 106 2.286 -8.823 -11.519 1.00 53.20 H new ATOM 0 HA GLU A 106 0.951 -10.263 -9.432 1.00 75.33 H new ATOM 0 HB2 GLU A 106 2.024 -12.141 -10.309 1.00 42.13 H new ATOM 0 HB3 GLU A 106 1.759 -11.115 -11.705 1.00 42.13 H new ATOM 0 HG2 GLU A 106 3.923 -11.558 -12.169 1.00 43.14 H new ATOM 0 HG3 GLU A 106 4.263 -10.303 -10.995 1.00 43.14 H new ATOM 1770 N LYS A 107 3.788 -8.907 -8.749 1.00 42.11 N ATOM 1771 CA LYS A 107 4.763 -8.687 -7.688 1.00 23.04 C ATOM 1772 C LYS A 107 4.043 -8.239 -6.426 1.00 1.10 C ATOM 1773 O LYS A 107 4.285 -8.760 -5.338 1.00 10.34 O ATOM 1774 CB LYS A 107 5.815 -7.630 -8.075 1.00 44.30 C ATOM 1775 CG LYS A 107 6.383 -7.763 -9.486 1.00 43.41 C ATOM 1776 CD LYS A 107 6.764 -9.192 -9.835 1.00 63.33 C ATOM 1777 CE LYS A 107 7.773 -9.781 -8.867 1.00 23.41 C ATOM 1778 NZ LYS A 107 8.049 -11.204 -9.186 1.00 12.51 N ATOM 0 H LYS A 107 3.838 -8.239 -9.518 1.00 42.11 H new ATOM 0 HA LYS A 107 5.285 -9.629 -7.519 1.00 23.04 H new ATOM 0 HB2 LYS A 107 5.368 -6.641 -7.973 1.00 44.30 H new ATOM 0 HB3 LYS A 107 6.638 -7.683 -7.363 1.00 44.30 H new ATOM 0 HG2 LYS A 107 5.647 -7.402 -10.205 1.00 43.41 H new ATOM 0 HG3 LYS A 107 7.261 -7.124 -9.581 1.00 43.41 H new ATOM 0 HD2 LYS A 107 5.867 -9.812 -9.841 1.00 63.33 H new ATOM 0 HD3 LYS A 107 7.176 -9.218 -10.844 1.00 63.33 H new ATOM 0 HE2 LYS A 107 8.700 -9.209 -8.909 1.00 23.41 H new ATOM 0 HE3 LYS A 107 7.395 -9.700 -7.848 1.00 23.41 H new ATOM 0 HZ1 LYS A 107 8.391 -11.691 -8.333 1.00 12.51 H new ATOM 0 HZ2 LYS A 107 7.176 -11.661 -9.519 1.00 12.51 H new ATOM 0 HZ3 LYS A 107 8.774 -11.259 -9.930 1.00 12.51 H new ATOM 1792 N LEU A 108 3.132 -7.285 -6.595 1.00 33.30 N ATOM 1793 CA LEU A 108 2.342 -6.766 -5.485 1.00 34.24 C ATOM 1794 C LEU A 108 1.473 -7.866 -4.889 1.00 63.32 C ATOM 1795 O LEU A 108 1.188 -7.869 -3.688 1.00 32.32 O ATOM 1796 CB LEU A 108 1.460 -5.593 -5.938 1.00 33.04 C ATOM 1797 CG LEU A 108 2.157 -4.229 -6.062 1.00 42.32 C ATOM 1798 CD1 LEU A 108 3.224 -4.247 -7.147 1.00 0.24 C ATOM 1799 CD2 LEU A 108 1.133 -3.142 -6.344 1.00 11.44 C ATOM 0 H LEU A 108 2.923 -6.854 -7.496 1.00 33.30 H new ATOM 0 HA LEU A 108 3.033 -6.406 -4.723 1.00 34.24 H new ATOM 0 HB2 LEU A 108 1.025 -5.845 -6.905 1.00 33.04 H new ATOM 0 HB3 LEU A 108 0.634 -5.493 -5.234 1.00 33.04 H new ATOM 0 HG LEU A 108 2.651 -4.016 -5.114 1.00 42.32 H new ATOM 0 HD11 LEU A 108 3.697 -3.267 -7.208 1.00 0.24 H new ATOM 0 HD12 LEU A 108 3.976 -4.998 -6.906 1.00 0.24 H new ATOM 0 HD13 LEU A 108 2.764 -4.488 -8.105 1.00 0.24 H new ATOM 0 HD21 LEU A 108 1.638 -2.180 -6.430 1.00 11.44 H new ATOM 0 HD22 LEU A 108 0.614 -3.364 -7.277 1.00 11.44 H new ATOM 0 HD23 LEU A 108 0.411 -3.101 -5.528 1.00 11.44 H new ATOM 1811 N TRP A 109 1.059 -8.801 -5.737 1.00 62.53 N ATOM 1812 CA TRP A 109 0.273 -9.943 -5.298 1.00 24.15 C ATOM 1813 C TRP A 109 1.094 -10.801 -4.339 1.00 4.15 C ATOM 1814 O TRP A 109 0.758 -10.926 -3.161 1.00 44.14 O ATOM 1815 CB TRP A 109 -0.176 -10.777 -6.509 1.00 31.14 C ATOM 1816 CG TRP A 109 -1.209 -11.829 -6.196 1.00 74.11 C ATOM 1817 CD1 TRP A 109 -1.170 -12.765 -5.199 1.00 34.14 C ATOM 1818 CD2 TRP A 109 -2.428 -12.061 -6.913 1.00 72.34 C ATOM 1819 NE1 TRP A 109 -2.299 -13.546 -5.240 1.00 3.45 N ATOM 1820 CE2 TRP A 109 -3.085 -13.137 -6.285 1.00 51.25 C ATOM 1821 CE3 TRP A 109 -3.033 -11.456 -8.022 1.00 30.01 C ATOM 1822 CZ2 TRP A 109 -4.309 -13.623 -6.731 1.00 64.41 C ATOM 1823 CZ3 TRP A 109 -4.252 -11.941 -8.462 1.00 31.10 C ATOM 1824 CH2 TRP A 109 -4.878 -13.014 -7.816 1.00 42.23 C ATOM 0 H TRP A 109 1.257 -8.788 -6.737 1.00 62.53 H new ATOM 0 HA TRP A 109 -0.614 -9.583 -4.777 1.00 24.15 H new ATOM 0 HB2 TRP A 109 -0.578 -10.105 -7.267 1.00 31.14 H new ATOM 0 HB3 TRP A 109 0.698 -11.262 -6.944 1.00 31.14 H new ATOM 0 HD1 TRP A 109 -0.368 -12.874 -4.484 1.00 34.14 H new ATOM 0 HE1 TRP A 109 -2.517 -14.307 -4.597 1.00 3.45 H new ATOM 0 HE3 TRP A 109 -2.557 -10.627 -8.524 1.00 30.01 H new ATOM 0 HZ2 TRP A 109 -4.794 -14.453 -6.238 1.00 64.41 H new ATOM 0 HZ3 TRP A 109 -4.728 -11.485 -9.317 1.00 31.10 H new ATOM 0 HH2 TRP A 109 -5.830 -13.368 -8.182 1.00 42.23 H new ATOM 1835 N ARG A 110 2.192 -11.354 -4.840 1.00 42.12 N ATOM 1836 CA ARG A 110 2.987 -12.308 -4.070 1.00 35.21 C ATOM 1837 C ARG A 110 3.672 -11.644 -2.875 1.00 5.34 C ATOM 1838 O ARG A 110 3.883 -12.290 -1.844 1.00 24.50 O ATOM 1839 CB ARG A 110 4.016 -13.015 -4.959 1.00 60.34 C ATOM 1840 CG ARG A 110 3.439 -14.177 -5.760 1.00 52.20 C ATOM 1841 CD ARG A 110 2.494 -13.700 -6.849 1.00 41.41 C ATOM 1842 NE ARG A 110 1.525 -14.725 -7.232 1.00 62.12 N ATOM 1843 CZ ARG A 110 1.053 -14.878 -8.468 1.00 22.32 C ATOM 1844 NH1 ARG A 110 1.565 -14.180 -9.476 1.00 51.42 N ATOM 1845 NH2 ARG A 110 0.096 -15.764 -8.708 1.00 72.15 N ATOM 0 H ARG A 110 2.553 -11.160 -5.774 1.00 42.12 H new ATOM 0 HA ARG A 110 2.298 -13.057 -3.680 1.00 35.21 H new ATOM 0 HB2 ARG A 110 4.447 -12.289 -5.648 1.00 60.34 H new ATOM 0 HB3 ARG A 110 4.830 -13.384 -4.335 1.00 60.34 H new ATOM 0 HG2 ARG A 110 4.252 -14.748 -6.209 1.00 52.20 H new ATOM 0 HG3 ARG A 110 2.908 -14.852 -5.089 1.00 52.20 H new ATOM 0 HD2 ARG A 110 1.963 -12.813 -6.503 1.00 41.41 H new ATOM 0 HD3 ARG A 110 3.072 -13.405 -7.725 1.00 41.41 H new ATOM 0 HE ARG A 110 1.190 -15.362 -6.509 1.00 62.12 H new ATOM 0 HH11 ARG A 110 2.325 -13.521 -9.306 1.00 51.42 H new ATOM 0 HH12 ARG A 110 1.198 -14.303 -10.420 1.00 51.42 H new ATOM 0 HH21 ARG A 110 -0.279 -16.329 -7.946 1.00 72.15 H new ATOM 0 HH22 ARG A 110 -0.265 -15.881 -9.655 1.00 72.15 H new ATOM 1859 N ARG A 111 3.999 -10.360 -3.007 1.00 22.22 N ATOM 1860 CA ARG A 111 4.579 -9.596 -1.902 1.00 42.42 C ATOM 1861 C ARG A 111 3.631 -9.568 -0.704 1.00 72.24 C ATOM 1862 O ARG A 111 4.062 -9.587 0.448 1.00 42.32 O ATOM 1863 CB ARG A 111 4.889 -8.163 -2.351 1.00 33.44 C ATOM 1864 CG ARG A 111 5.334 -7.243 -1.224 1.00 42.34 C ATOM 1865 CD ARG A 111 6.688 -7.644 -0.660 1.00 30.42 C ATOM 1866 NE ARG A 111 7.773 -7.387 -1.604 1.00 71.40 N ATOM 1867 CZ ARG A 111 9.045 -7.214 -1.255 1.00 33.50 C ATOM 1868 NH1 ARG A 111 9.411 -7.294 0.019 1.00 33.30 N ATOM 1869 NH2 ARG A 111 9.954 -6.961 -2.185 1.00 1.14 N ATOM 0 H ARG A 111 3.873 -9.826 -3.867 1.00 22.22 H new ATOM 0 HA ARG A 111 5.505 -10.086 -1.602 1.00 42.42 H new ATOM 0 HB2 ARG A 111 5.669 -8.192 -3.111 1.00 33.44 H new ATOM 0 HB3 ARG A 111 4.001 -7.741 -2.822 1.00 33.44 H new ATOM 0 HG2 ARG A 111 5.384 -6.218 -1.591 1.00 42.34 H new ATOM 0 HG3 ARG A 111 4.590 -7.260 -0.427 1.00 42.34 H new ATOM 0 HD2 ARG A 111 6.873 -7.095 0.263 1.00 30.42 H new ATOM 0 HD3 ARG A 111 6.674 -8.703 -0.403 1.00 30.42 H new ATOM 0 HE ARG A 111 7.540 -7.337 -2.596 1.00 71.40 H new ATOM 0 HH11 ARG A 111 8.715 -7.489 0.738 1.00 33.30 H new ATOM 0 HH12 ARG A 111 10.388 -7.160 0.278 1.00 33.30 H new ATOM 0 HH21 ARG A 111 9.678 -6.899 -3.165 1.00 1.14 H new ATOM 0 HH22 ARG A 111 10.930 -6.828 -1.921 1.00 1.14 H new ATOM 1883 N HIS A 112 2.336 -9.534 -0.979 1.00 41.13 N ATOM 1884 CA HIS A 112 1.339 -9.470 0.078 1.00 22.04 C ATOM 1885 C HIS A 112 0.649 -10.819 0.235 1.00 64.15 C ATOM 1886 O HIS A 112 -0.405 -10.923 0.863 1.00 43.42 O ATOM 1887 CB HIS A 112 0.308 -8.376 -0.217 1.00 10.41 C ATOM 1888 CG HIS A 112 0.895 -6.999 -0.298 1.00 63.24 C ATOM 1889 ND1 HIS A 112 1.121 -6.355 -1.491 1.00 31.43 N ATOM 1890 CD2 HIS A 112 1.305 -6.145 0.670 1.00 44.40 C ATOM 1891 CE1 HIS A 112 1.644 -5.167 -1.259 1.00 61.34 C ATOM 1892 NE2 HIS A 112 1.769 -5.010 0.045 1.00 50.51 N ATOM 0 H HIS A 112 1.952 -9.550 -1.924 1.00 41.13 H new ATOM 0 HA HIS A 112 1.843 -9.223 1.012 1.00 22.04 H new ATOM 0 HB2 HIS A 112 -0.191 -8.604 -1.159 1.00 10.41 H new ATOM 0 HB3 HIS A 112 -0.456 -8.390 0.560 1.00 10.41 H new ATOM 0 HD1 HIS A 112 0.916 -6.737 -2.414 1.00 31.43 H new ATOM 0 HD2 HIS A 112 1.274 -6.322 1.735 1.00 44.40 H new ATOM 0 HE1 HIS A 112 1.923 -4.444 -2.011 1.00 61.34 H new ATOM 0 HE2 HIS A 112 2.146 -4.185 0.512 1.00 50.51 H new ATOM 1901 N CYS A 113 1.256 -11.848 -0.343 1.00 65.41 N ATOM 1902 CA CYS A 113 0.725 -13.201 -0.260 1.00 45.14 C ATOM 1903 C CYS A 113 1.451 -13.986 0.824 1.00 2.21 C ATOM 1904 O CYS A 113 0.850 -14.379 1.824 1.00 44.31 O ATOM 1905 CB CYS A 113 0.858 -13.908 -1.615 1.00 3.00 C ATOM 1906 SG CYS A 113 0.137 -15.567 -1.673 1.00 21.12 S ATOM 0 H CYS A 113 2.121 -11.769 -0.877 1.00 65.41 H new ATOM 0 HA CYS A 113 -0.332 -13.147 0.000 1.00 45.14 H new ATOM 0 HB2 CYS A 113 0.383 -13.293 -2.379 1.00 3.00 H new ATOM 0 HB3 CYS A 113 1.915 -13.976 -1.872 1.00 3.00 H new ATOM 0 HG CYS A 113 -1.053 -15.542 -1.150 1.00 21.12 H new ATOM 1912 N ARG A 114 2.751 -14.181 0.633 1.00 20.23 N ATOM 1913 CA ARG A 114 3.567 -14.939 1.576 1.00 35.11 C ATOM 1914 C ARG A 114 3.568 -14.280 2.954 1.00 62.32 C ATOM 1915 O ARG A 114 3.392 -14.950 3.972 1.00 15.02 O ATOM 1916 CB ARG A 114 4.998 -15.056 1.048 1.00 61.13 C ATOM 1917 CG ARG A 114 5.938 -15.808 1.975 1.00 35.54 C ATOM 1918 CD ARG A 114 5.525 -17.263 2.143 1.00 30.24 C ATOM 1919 NE ARG A 114 6.372 -17.947 3.115 1.00 71.24 N ATOM 1920 CZ ARG A 114 6.397 -19.263 3.299 1.00 55.13 C ATOM 1921 NH1 ARG A 114 5.632 -20.060 2.563 1.00 1.13 N ATOM 1922 NH2 ARG A 114 7.193 -19.780 4.226 1.00 74.03 N ATOM 0 H ARG A 114 3.265 -13.822 -0.171 1.00 20.23 H new ATOM 0 HA ARG A 114 3.137 -15.936 1.678 1.00 35.11 H new ATOM 0 HB2 ARG A 114 4.978 -15.559 0.081 1.00 61.13 H new ATOM 0 HB3 ARG A 114 5.395 -14.055 0.878 1.00 61.13 H new ATOM 0 HG2 ARG A 114 6.952 -15.762 1.579 1.00 35.54 H new ATOM 0 HG3 ARG A 114 5.954 -15.320 2.950 1.00 35.54 H new ATOM 0 HD2 ARG A 114 4.485 -17.313 2.465 1.00 30.24 H new ATOM 0 HD3 ARG A 114 5.586 -17.774 1.182 1.00 30.24 H new ATOM 0 HE ARG A 114 6.988 -17.375 3.693 1.00 71.24 H new ATOM 0 HH11 ARG A 114 5.019 -19.663 1.850 1.00 1.13 H new ATOM 0 HH12 ARG A 114 5.657 -21.069 2.710 1.00 1.13 H new ATOM 0 HH21 ARG A 114 7.781 -19.168 4.792 1.00 74.03 H new ATOM 0 HH22 ARG A 114 7.217 -20.789 4.372 1.00 74.03 H new ATOM 1936 N LEU A 115 3.744 -12.962 2.971 1.00 4.31 N ATOM 1937 CA LEU A 115 3.809 -12.203 4.218 1.00 64.35 C ATOM 1938 C LEU A 115 2.501 -12.315 4.997 1.00 34.34 C ATOM 1939 O LEU A 115 2.484 -12.249 6.224 1.00 33.11 O ATOM 1940 CB LEU A 115 4.116 -10.731 3.915 1.00 61.14 C ATOM 1941 CG LEU A 115 4.283 -9.827 5.139 1.00 13.34 C ATOM 1942 CD1 LEU A 115 5.494 -10.247 5.961 1.00 13.24 C ATOM 1943 CD2 LEU A 115 4.405 -8.372 4.709 1.00 71.13 C ATOM 0 H LEU A 115 3.845 -12.394 2.130 1.00 4.31 H new ATOM 0 HA LEU A 115 4.606 -12.620 4.833 1.00 64.35 H new ATOM 0 HB2 LEU A 115 5.030 -10.683 3.322 1.00 61.14 H new ATOM 0 HB3 LEU A 115 3.313 -10.330 3.296 1.00 61.14 H new ATOM 0 HG LEU A 115 3.397 -9.930 5.766 1.00 13.34 H new ATOM 0 HD11 LEU A 115 5.592 -9.590 6.825 1.00 13.24 H new ATOM 0 HD12 LEU A 115 5.365 -11.275 6.299 1.00 13.24 H new ATOM 0 HD13 LEU A 115 6.392 -10.177 5.348 1.00 13.24 H new ATOM 0 HD21 LEU A 115 4.523 -7.741 5.590 1.00 71.13 H new ATOM 0 HD22 LEU A 115 5.273 -8.256 4.060 1.00 71.13 H new ATOM 0 HD23 LEU A 115 3.506 -8.076 4.168 1.00 71.13 H new ATOM 1955 N ALA A 116 1.404 -12.507 4.278 1.00 71.21 N ATOM 1956 CA ALA A 116 0.092 -12.575 4.899 1.00 11.31 C ATOM 1957 C ALA A 116 -0.156 -13.943 5.526 1.00 73.42 C ATOM 1958 O ALA A 116 -0.909 -14.062 6.487 1.00 3.45 O ATOM 1959 CB ALA A 116 -0.990 -12.253 3.880 1.00 4.43 C ATOM 0 H ALA A 116 1.398 -12.618 3.264 1.00 71.21 H new ATOM 0 HA ALA A 116 0.059 -11.833 5.697 1.00 11.31 H new ATOM 0 HB1 ALA A 116 -1.968 -12.307 4.358 1.00 4.43 H new ATOM 0 HB2 ALA A 116 -0.833 -11.248 3.488 1.00 4.43 H new ATOM 0 HB3 ALA A 116 -0.945 -12.972 3.062 1.00 4.43 H new ATOM 1965 N ARG A 117 0.498 -14.972 4.996 1.00 30.55 N ATOM 1966 CA ARG A 117 0.251 -16.342 5.441 1.00 21.13 C ATOM 1967 C ARG A 117 1.389 -16.867 6.319 1.00 33.42 C ATOM 1968 O ARG A 117 1.393 -18.037 6.710 1.00 12.24 O ATOM 1969 CB ARG A 117 0.048 -17.260 4.231 1.00 21.22 C ATOM 1970 CG ARG A 117 -1.140 -16.865 3.369 1.00 74.30 C ATOM 1971 CD ARG A 117 -2.447 -16.975 4.136 1.00 74.34 C ATOM 1972 NE ARG A 117 -2.895 -18.362 4.275 1.00 72.14 N ATOM 1973 CZ ARG A 117 -3.645 -18.814 5.280 1.00 74.53 C ATOM 1974 NH1 ARG A 117 -3.941 -18.030 6.312 1.00 3.10 N ATOM 1975 NH2 ARG A 117 -4.077 -20.069 5.261 1.00 5.32 N ATOM 0 H ARG A 117 1.200 -14.886 4.261 1.00 30.55 H new ATOM 0 HA ARG A 117 -0.656 -16.336 6.046 1.00 21.13 H new ATOM 0 HB2 ARG A 117 0.951 -17.249 3.620 1.00 21.22 H new ATOM 0 HB3 ARG A 117 -0.089 -18.284 4.579 1.00 21.22 H new ATOM 0 HG2 ARG A 117 -1.010 -15.842 3.015 1.00 74.30 H new ATOM 0 HG3 ARG A 117 -1.180 -17.505 2.487 1.00 74.30 H new ATOM 0 HD2 ARG A 117 -2.323 -16.535 5.125 1.00 74.34 H new ATOM 0 HD3 ARG A 117 -3.216 -16.397 3.624 1.00 74.34 H new ATOM 0 HE ARG A 117 -2.614 -19.027 3.554 1.00 72.14 H new ATOM 0 HH11 ARG A 117 -3.593 -17.072 6.341 1.00 3.10 H new ATOM 0 HH12 ARG A 117 -4.516 -18.387 7.075 1.00 3.10 H new ATOM 0 HH21 ARG A 117 -3.835 -20.680 4.481 1.00 5.32 H new ATOM 0 HH22 ARG A 117 -4.651 -20.422 6.026 1.00 5.32 H new ATOM 1989 N GLY A 118 2.355 -16.007 6.620 1.00 3.30 N ATOM 1990 CA GLY A 118 3.442 -16.396 7.496 1.00 2.04 C ATOM 1991 C GLY A 118 4.739 -15.711 7.134 1.00 53.54 C ATOM 1992 O GLY A 118 4.770 -14.499 6.922 1.00 12.43 O ATOM 0 H GLY A 118 2.404 -15.049 6.273 1.00 3.30 H new ATOM 0 HA2 GLY A 118 3.181 -16.154 8.526 1.00 2.04 H new ATOM 0 HA3 GLY A 118 3.577 -17.476 7.447 1.00 2.04 H new ATOM 1996 N SER A 119 5.808 -16.487 7.058 1.00 44.03 N ATOM 1997 CA SER A 119 7.122 -15.960 6.734 1.00 73.24 C ATOM 1998 C SER A 119 7.829 -16.901 5.767 1.00 65.22 C ATOM 1999 O SER A 119 8.039 -16.515 4.600 1.00 62.13 O ATOM 2000 CB SER A 119 7.952 -15.776 8.010 1.00 33.54 C ATOM 2001 OG SER A 119 7.287 -14.928 8.939 1.00 64.43 O ATOM 2002 OXT SER A 119 8.119 -18.052 6.159 1.00 0.00 O ATOM 0 H SER A 119 5.789 -17.494 7.218 1.00 44.03 H new ATOM 0 HA SER A 119 7.008 -14.986 6.258 1.00 73.24 H new ATOM 0 HB2 SER A 119 8.138 -16.747 8.469 1.00 33.54 H new ATOM 0 HB3 SER A 119 8.923 -15.351 7.757 1.00 33.54 H new ATOM 0 HG SER A 119 7.837 -14.829 9.744 1.00 64.43 H new TER 2008 SER A 119