USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0909 (180deg=-0.632) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -170:sc= -4.22! (180deg=-4.5) USER MOD Single : A 26 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.74) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl -121:sc= -7.23! (180deg=-11.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 79:sc= 0.428 USER MOD Single : A 51 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.988 K(o=-0.99,f=-3.5) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.107 K(o=-0.11,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.662 0.821 -0.093 1.00 22.10 N ATOM 2 CA MET A 1 2.427 0.621 -1.318 1.00 42.34 C ATOM 3 C MET A 1 3.882 0.290 -1.003 1.00 4.31 C ATOM 4 O MET A 1 4.687 1.181 -0.727 1.00 71.44 O ATOM 5 CB MET A 1 2.355 1.870 -2.199 1.00 5.41 C ATOM 6 CG MET A 1 0.939 2.374 -2.425 1.00 62.01 C ATOM 7 SD MET A 1 0.888 3.882 -3.412 1.00 15.10 S ATOM 8 CE MET A 1 -0.709 3.713 -4.206 1.00 31.33 C ATOM 0 H1 MET A 1 0.646 0.741 -0.301 1.00 22.10 H new ATOM 0 H2 MET A 1 1.930 0.099 0.606 1.00 22.10 H new ATOM 0 H3 MET A 1 1.863 1.766 0.292 1.00 22.10 H new ATOM 0 HA MET A 1 1.990 -0.220 -1.856 1.00 42.34 H new ATOM 0 HB2 MET A 1 2.945 2.663 -1.740 1.00 5.41 H new ATOM 0 HB3 MET A 1 2.812 1.651 -3.164 1.00 5.41 H new ATOM 0 HG2 MET A 1 0.357 1.599 -2.923 1.00 62.01 H new ATOM 0 HG3 MET A 1 0.465 2.559 -1.461 1.00 62.01 H new ATOM 0 HE1 MET A 1 -0.887 4.572 -4.852 1.00 31.33 H new ATOM 0 HE2 MET A 1 -0.724 2.801 -4.803 1.00 31.33 H new ATOM 0 HE3 MET A 1 -1.489 3.663 -3.447 1.00 31.33 H new ATOM 18 N LYS A 2 4.214 -0.996 -1.045 1.00 4.45 N ATOM 19 CA LYS A 2 5.573 -1.445 -0.764 1.00 71.12 C ATOM 20 C LYS A 2 6.055 -2.420 -1.834 1.00 31.14 C ATOM 21 O LYS A 2 6.883 -3.291 -1.565 1.00 53.11 O ATOM 22 CB LYS A 2 5.638 -2.109 0.613 1.00 4.11 C ATOM 23 CG LYS A 2 4.484 -3.057 0.887 1.00 61.43 C ATOM 24 CD LYS A 2 4.545 -3.617 2.298 1.00 31.20 C ATOM 25 CE LYS A 2 4.299 -5.118 2.313 1.00 21.13 C ATOM 26 NZ LYS A 2 2.849 -5.442 2.415 1.00 1.33 N ATOM 0 H LYS A 2 3.561 -1.746 -1.271 1.00 4.45 H new ATOM 0 HA LYS A 2 6.227 -0.573 -0.771 1.00 71.12 H new ATOM 0 HB2 LYS A 2 6.576 -2.658 0.698 1.00 4.11 H new ATOM 0 HB3 LYS A 2 5.651 -1.335 1.380 1.00 4.11 H new ATOM 0 HG2 LYS A 2 3.539 -2.533 0.743 1.00 61.43 H new ATOM 0 HG3 LYS A 2 4.506 -3.876 0.168 1.00 61.43 H new ATOM 0 HD2 LYS A 2 5.521 -3.403 2.734 1.00 31.20 H new ATOM 0 HD3 LYS A 2 3.802 -3.119 2.921 1.00 31.20 H new ATOM 0 HE2 LYS A 2 4.707 -5.562 1.405 1.00 21.13 H new ATOM 0 HE3 LYS A 2 4.831 -5.565 3.153 1.00 21.13 H new ATOM 0 HZ1 LYS A 2 2.724 -6.474 2.422 1.00 1.33 H new ATOM 0 HZ2 LYS A 2 2.465 -5.040 3.294 1.00 1.33 H new ATOM 0 HZ3 LYS A 2 2.345 -5.038 1.600 1.00 1.33 H new ATOM 40 N ARG A 3 5.533 -2.267 -3.046 1.00 51.12 N ATOM 41 CA ARG A 3 5.911 -3.134 -4.156 1.00 13.13 C ATOM 42 C ARG A 3 6.008 -2.342 -5.456 1.00 53.42 C ATOM 43 O ARG A 3 5.476 -1.236 -5.563 1.00 72.42 O ATOM 44 CB ARG A 3 4.897 -4.269 -4.312 1.00 0.01 C ATOM 45 CG ARG A 3 3.471 -3.787 -4.521 1.00 34.24 C ATOM 46 CD ARG A 3 2.661 -3.871 -3.236 1.00 51.22 C ATOM 47 NE ARG A 3 1.516 -2.964 -3.251 1.00 30.30 N ATOM 48 CZ ARG A 3 0.419 -3.177 -3.970 1.00 23.03 C ATOM 49 NH1 ARG A 3 0.319 -4.260 -4.728 1.00 24.11 N ATOM 50 NH2 ARG A 3 -0.581 -2.306 -3.931 1.00 5.55 N ATOM 0 H ARG A 3 4.847 -1.551 -3.285 1.00 51.12 H new ATOM 0 HA ARG A 3 6.891 -3.558 -3.936 1.00 13.13 H new ATOM 0 HB2 ARG A 3 5.189 -4.892 -5.158 1.00 0.01 H new ATOM 0 HB3 ARG A 3 4.932 -4.900 -3.424 1.00 0.01 H new ATOM 0 HG2 ARG A 3 3.482 -2.757 -4.879 1.00 34.24 H new ATOM 0 HG3 ARG A 3 2.992 -4.388 -5.294 1.00 34.24 H new ATOM 0 HD2 ARG A 3 2.312 -4.894 -3.094 1.00 51.22 H new ATOM 0 HD3 ARG A 3 3.302 -3.632 -2.387 1.00 51.22 H new ATOM 0 HE ARG A 3 1.561 -2.121 -2.678 1.00 30.30 H new ATOM 0 HH11 ARG A 3 1.085 -4.932 -4.760 1.00 24.11 H new ATOM 0 HH12 ARG A 3 -0.524 -4.421 -5.279 1.00 24.11 H new ATOM 0 HH21 ARG A 3 -0.508 -1.472 -3.349 1.00 5.55 H new ATOM 0 HH22 ARG A 3 -1.423 -2.471 -4.483 1.00 5.55 H new ATOM 64 N PHE A 4 6.691 -2.914 -6.442 1.00 54.11 N ATOM 65 CA PHE A 4 6.859 -2.261 -7.735 1.00 51.21 C ATOM 66 C PHE A 4 6.556 -3.228 -8.876 1.00 43.42 C ATOM 67 O PHE A 4 7.229 -4.246 -9.036 1.00 45.24 O ATOM 68 CB PHE A 4 8.283 -1.719 -7.875 1.00 11.30 C ATOM 69 CG PHE A 4 8.337 -0.276 -8.289 1.00 1.24 C ATOM 70 CD1 PHE A 4 7.630 0.687 -7.587 1.00 33.24 C ATOM 71 CD2 PHE A 4 9.096 0.118 -9.379 1.00 73.01 C ATOM 72 CE1 PHE A 4 7.677 2.015 -7.966 1.00 3.03 C ATOM 73 CE2 PHE A 4 9.147 1.445 -9.763 1.00 25.14 C ATOM 74 CZ PHE A 4 8.438 2.395 -9.054 1.00 60.32 C ATOM 0 H PHE A 4 7.137 -3.828 -6.370 1.00 54.11 H new ATOM 0 HA PHE A 4 6.155 -1.431 -7.789 1.00 51.21 H new ATOM 0 HB2 PHE A 4 8.803 -1.836 -6.924 1.00 11.30 H new ATOM 0 HB3 PHE A 4 8.821 -2.320 -8.608 1.00 11.30 H new ATOM 0 HD1 PHE A 4 7.035 0.396 -6.734 1.00 33.24 H new ATOM 0 HD2 PHE A 4 9.654 -0.620 -9.935 1.00 73.01 H new ATOM 0 HE1 PHE A 4 7.119 2.755 -7.412 1.00 3.03 H new ATOM 0 HE2 PHE A 4 9.740 1.739 -10.616 1.00 25.14 H new ATOM 0 HZ PHE A 4 8.479 3.433 -9.350 1.00 60.32 H new ATOM 84 N ASP A 5 5.539 -2.901 -9.666 1.00 31.44 N ATOM 85 CA ASP A 5 5.146 -3.740 -10.792 1.00 42.45 C ATOM 86 C ASP A 5 5.849 -3.295 -12.071 1.00 51.24 C ATOM 87 O ASP A 5 5.401 -2.368 -12.748 1.00 64.02 O ATOM 88 CB ASP A 5 3.630 -3.693 -10.986 1.00 53.23 C ATOM 89 CG ASP A 5 2.977 -5.044 -10.772 1.00 33.04 C ATOM 90 OD1 ASP A 5 3.386 -5.759 -9.832 1.00 54.53 O ATOM 91 OD2 ASP A 5 2.056 -5.387 -11.542 1.00 41.34 O ATOM 0 H ASP A 5 4.972 -2.061 -9.547 1.00 31.44 H new ATOM 0 HA ASP A 5 5.444 -4.765 -10.572 1.00 42.45 H new ATOM 0 HB2 ASP A 5 3.200 -2.971 -10.292 1.00 53.23 H new ATOM 0 HB3 ASP A 5 3.406 -3.340 -11.993 1.00 53.23 H new ATOM 96 N LEU A 6 6.952 -3.960 -12.396 1.00 73.33 N ATOM 97 CA LEU A 6 7.718 -3.633 -13.594 1.00 32.31 C ATOM 98 C LEU A 6 7.225 -4.438 -14.792 1.00 54.34 C ATOM 99 O LEU A 6 7.819 -4.393 -15.870 1.00 11.14 O ATOM 100 CB LEU A 6 9.205 -3.903 -13.361 1.00 64.43 C ATOM 101 CG LEU A 6 9.935 -2.908 -12.459 1.00 1.04 C ATOM 102 CD1 LEU A 6 9.728 -1.486 -12.956 1.00 5.33 C ATOM 103 CD2 LEU A 6 9.461 -3.046 -11.019 1.00 73.13 C ATOM 0 H LEU A 6 7.336 -4.729 -11.847 1.00 73.33 H new ATOM 0 HA LEU A 6 7.576 -2.574 -13.808 1.00 32.31 H new ATOM 0 HB2 LEU A 6 9.310 -4.898 -12.929 1.00 64.43 H new ATOM 0 HB3 LEU A 6 9.706 -3.921 -14.329 1.00 64.43 H new ATOM 0 HG LEU A 6 11.001 -3.131 -12.492 1.00 1.04 H new ATOM 0 HD11 LEU A 6 10.255 -0.792 -12.302 1.00 5.33 H new ATOM 0 HD12 LEU A 6 10.117 -1.395 -13.970 1.00 5.33 H new ATOM 0 HD13 LEU A 6 8.664 -1.251 -12.953 1.00 5.33 H new ATOM 0 HD21 LEU A 6 9.991 -2.330 -10.391 1.00 73.13 H new ATOM 0 HD22 LEU A 6 8.390 -2.850 -10.968 1.00 73.13 H new ATOM 0 HD23 LEU A 6 9.662 -4.057 -10.665 1.00 73.13 H new ATOM 115 N ARG A 7 6.133 -5.171 -14.598 1.00 4.13 N ATOM 116 CA ARG A 7 5.560 -5.984 -15.663 1.00 35.53 C ATOM 117 C ARG A 7 5.358 -5.158 -16.930 1.00 22.14 C ATOM 118 O ARG A 7 5.922 -5.448 -17.985 1.00 52.32 O ATOM 119 CB ARG A 7 4.225 -6.583 -15.214 1.00 1.21 C ATOM 120 CG ARG A 7 4.220 -8.102 -15.178 1.00 62.33 C ATOM 121 CD ARG A 7 3.004 -8.638 -14.439 1.00 25.34 C ATOM 122 NE ARG A 7 1.838 -8.749 -15.310 1.00 50.54 N ATOM 123 CZ ARG A 7 0.619 -9.044 -14.873 1.00 70.21 C ATOM 124 NH1 ARG A 7 0.408 -9.258 -13.582 1.00 1.44 N ATOM 125 NH2 ARG A 7 -0.392 -9.126 -15.728 1.00 72.33 N ATOM 0 H ARG A 7 5.628 -5.218 -13.713 1.00 4.13 H new ATOM 0 HA ARG A 7 6.258 -6.792 -15.884 1.00 35.53 H new ATOM 0 HB2 ARG A 7 3.982 -6.204 -14.221 1.00 1.21 H new ATOM 0 HB3 ARG A 7 3.439 -6.241 -15.887 1.00 1.21 H new ATOM 0 HG2 ARG A 7 4.229 -8.491 -16.196 1.00 62.33 H new ATOM 0 HG3 ARG A 7 5.128 -8.458 -14.692 1.00 62.33 H new ATOM 0 HD2 ARG A 7 3.237 -9.617 -14.020 1.00 25.34 H new ATOM 0 HD3 ARG A 7 2.770 -7.980 -13.602 1.00 25.34 H new ATOM 0 HE ARG A 7 1.966 -8.591 -16.310 1.00 50.54 H new ATOM 0 HH11 ARG A 7 1.183 -9.196 -12.922 1.00 1.44 H new ATOM 0 HH12 ARG A 7 -0.529 -9.484 -13.249 1.00 1.44 H new ATOM 0 HH21 ARG A 7 -0.234 -8.962 -16.722 1.00 72.33 H new ATOM 0 HH22 ARG A 7 -1.328 -9.353 -15.391 1.00 72.33 H new ATOM 139 N PRO A 8 4.535 -4.104 -16.825 1.00 30.45 N ATOM 140 CA PRO A 8 4.240 -3.215 -17.952 1.00 1.34 C ATOM 141 C PRO A 8 5.441 -2.362 -18.346 1.00 52.52 C ATOM 142 O PRO A 8 5.418 -1.674 -19.368 1.00 61.21 O ATOM 143 CB PRO A 8 3.108 -2.332 -17.420 1.00 3.20 C ATOM 144 CG PRO A 8 3.283 -2.342 -15.941 1.00 3.34 C ATOM 145 CD PRO A 8 3.829 -3.700 -15.597 1.00 70.11 C ATOM 0 HA PRO A 8 3.978 -3.771 -18.852 1.00 1.34 H new ATOM 0 HB2 PRO A 8 3.174 -1.320 -17.820 1.00 3.20 H new ATOM 0 HB3 PRO A 8 2.132 -2.724 -17.706 1.00 3.20 H new ATOM 0 HG2 PRO A 8 3.967 -1.555 -15.624 1.00 3.34 H new ATOM 0 HG3 PRO A 8 2.334 -2.163 -15.435 1.00 3.34 H new ATOM 0 HD2 PRO A 8 4.503 -3.657 -14.741 1.00 70.11 H new ATOM 0 HD3 PRO A 8 3.034 -4.400 -15.342 1.00 70.11 H new ATOM 153 N LEU A 9 6.488 -2.410 -17.531 1.00 25.01 N ATOM 154 CA LEU A 9 7.700 -1.641 -17.795 1.00 71.43 C ATOM 155 C LEU A 9 8.629 -2.397 -18.741 1.00 14.24 C ATOM 156 O LEU A 9 8.533 -3.616 -18.879 1.00 63.42 O ATOM 157 CB LEU A 9 8.428 -1.333 -16.486 1.00 13.23 C ATOM 158 CG LEU A 9 8.425 0.132 -16.045 1.00 62.45 C ATOM 159 CD1 LEU A 9 7.626 0.302 -14.763 1.00 0.01 C ATOM 160 CD2 LEU A 9 9.849 0.635 -15.860 1.00 22.04 C ATOM 0 H LEU A 9 6.523 -2.973 -16.681 1.00 25.01 H new ATOM 0 HA LEU A 9 7.410 -0.704 -18.271 1.00 71.43 H new ATOM 0 HB2 LEU A 9 7.978 -1.931 -15.694 1.00 13.23 H new ATOM 0 HB3 LEU A 9 9.463 -1.660 -16.583 1.00 13.23 H new ATOM 0 HG LEU A 9 7.950 0.726 -16.825 1.00 62.45 H new ATOM 0 HD11 LEU A 9 7.635 1.350 -14.465 1.00 0.01 H new ATOM 0 HD12 LEU A 9 6.598 -0.019 -14.930 1.00 0.01 H new ATOM 0 HD13 LEU A 9 8.071 -0.304 -13.974 1.00 0.01 H new ATOM 0 HD21 LEU A 9 9.828 1.679 -15.546 1.00 22.04 H new ATOM 0 HD22 LEU A 9 10.350 0.037 -15.099 1.00 22.04 H new ATOM 0 HD23 LEU A 9 10.390 0.550 -16.802 1.00 22.04 H new ATOM 172 N LYS A 10 9.529 -1.664 -19.388 1.00 34.41 N ATOM 173 CA LYS A 10 10.478 -2.264 -20.318 1.00 30.11 C ATOM 174 C LYS A 10 11.800 -2.573 -19.622 1.00 72.22 C ATOM 175 O LYS A 10 12.097 -2.024 -18.562 1.00 32.44 O ATOM 176 CB LYS A 10 10.721 -1.329 -21.505 1.00 34.11 C ATOM 177 CG LYS A 10 11.585 -0.127 -21.166 1.00 31.14 C ATOM 178 CD LYS A 10 11.734 0.806 -22.355 1.00 41.14 C ATOM 179 CE LYS A 10 10.533 1.729 -22.494 1.00 30.00 C ATOM 180 NZ LYS A 10 10.942 3.135 -22.767 1.00 20.43 N ATOM 0 H LYS A 10 9.621 -0.653 -19.285 1.00 34.41 H new ATOM 0 HA LYS A 10 10.051 -3.199 -20.681 1.00 30.11 H new ATOM 0 HB2 LYS A 10 11.196 -1.892 -22.309 1.00 34.11 H new ATOM 0 HB3 LYS A 10 9.761 -0.980 -21.884 1.00 34.11 H new ATOM 0 HG2 LYS A 10 11.143 0.415 -20.330 1.00 31.14 H new ATOM 0 HG3 LYS A 10 12.569 -0.465 -20.842 1.00 31.14 H new ATOM 0 HD2 LYS A 10 12.640 1.401 -22.240 1.00 41.14 H new ATOM 0 HD3 LYS A 10 11.851 0.220 -23.266 1.00 41.14 H new ATOM 0 HE2 LYS A 10 9.893 1.374 -23.302 1.00 30.00 H new ATOM 0 HE3 LYS A 10 9.941 1.694 -21.580 1.00 30.00 H new ATOM 0 HZ1 LYS A 10 10.095 3.732 -22.855 1.00 20.43 H new ATOM 0 HZ2 LYS A 10 11.531 3.483 -21.984 1.00 20.43 H new ATOM 0 HZ3 LYS A 10 11.486 3.173 -23.653 1.00 20.43 H new ATOM 194 N ALA A 11 12.590 -3.454 -20.227 1.00 50.13 N ATOM 195 CA ALA A 11 13.881 -3.833 -19.667 1.00 44.34 C ATOM 196 C ALA A 11 14.890 -2.696 -19.796 1.00 31.23 C ATOM 197 O ALA A 11 14.843 -1.916 -20.746 1.00 0.24 O ATOM 198 CB ALA A 11 14.406 -5.086 -20.352 1.00 21.33 C ATOM 0 H ALA A 11 12.358 -3.919 -21.105 1.00 50.13 H new ATOM 0 HA ALA A 11 13.742 -4.043 -18.606 1.00 44.34 H new ATOM 0 HB1 ALA A 11 15.371 -5.358 -19.924 1.00 21.33 H new ATOM 0 HB2 ALA A 11 13.701 -5.904 -20.205 1.00 21.33 H new ATOM 0 HB3 ALA A 11 14.523 -4.895 -21.419 1.00 21.33 H new ATOM 204 N GLY A 12 15.802 -2.608 -18.832 1.00 31.50 N ATOM 205 CA GLY A 12 16.808 -1.563 -18.856 1.00 24.30 C ATOM 206 C GLY A 12 16.499 -0.439 -17.888 1.00 4.50 C ATOM 207 O GLY A 12 17.380 0.023 -17.162 1.00 11.44 O ATOM 0 H GLY A 12 15.862 -3.242 -18.035 1.00 31.50 H new ATOM 0 HA2 GLY A 12 17.779 -1.992 -18.611 1.00 24.30 H new ATOM 0 HA3 GLY A 12 16.883 -1.159 -19.865 1.00 24.30 H new ATOM 211 N ILE A 13 15.247 0.004 -17.878 1.00 53.34 N ATOM 212 CA ILE A 13 14.825 1.082 -16.993 1.00 12.33 C ATOM 213 C ILE A 13 14.109 0.535 -15.763 1.00 31.13 C ATOM 214 O ILE A 13 14.079 1.176 -14.712 1.00 21.22 O ATOM 215 CB ILE A 13 13.894 2.073 -17.716 1.00 51.40 C ATOM 216 CG1 ILE A 13 14.488 2.471 -19.069 1.00 23.23 C ATOM 217 CG2 ILE A 13 13.657 3.304 -16.853 1.00 63.12 C ATOM 218 CD1 ILE A 13 13.619 3.428 -19.853 1.00 53.40 C ATOM 0 H ILE A 13 14.507 -0.367 -18.473 1.00 53.34 H new ATOM 0 HA ILE A 13 15.729 1.606 -16.682 1.00 12.33 H new ATOM 0 HB ILE A 13 12.935 1.586 -17.891 1.00 51.40 H new ATOM 0 HG12 ILE A 13 15.464 2.929 -18.908 1.00 23.23 H new ATOM 0 HG13 ILE A 13 14.652 1.572 -19.663 1.00 23.23 H new ATOM 0 HG21 ILE A 13 12.997 3.995 -17.378 1.00 63.12 H new ATOM 0 HG22 ILE A 13 13.195 3.005 -15.912 1.00 63.12 H new ATOM 0 HG23 ILE A 13 14.609 3.795 -16.650 1.00 63.12 H new ATOM 0 HD11 ILE A 13 14.103 3.666 -20.800 1.00 53.40 H new ATOM 0 HD12 ILE A 13 12.651 2.966 -20.046 1.00 53.40 H new ATOM 0 HD13 ILE A 13 13.476 4.343 -19.279 1.00 53.40 H new ATOM 230 N PHE A 14 13.534 -0.655 -15.900 1.00 61.32 N ATOM 231 CA PHE A 14 12.819 -1.291 -14.800 1.00 15.53 C ATOM 232 C PHE A 14 13.750 -1.540 -13.617 1.00 40.51 C ATOM 233 O PHE A 14 13.319 -1.541 -12.465 1.00 1.15 O ATOM 234 CB PHE A 14 12.198 -2.611 -15.261 1.00 50.34 C ATOM 235 CG PHE A 14 13.170 -3.756 -15.281 1.00 10.42 C ATOM 236 CD1 PHE A 14 14.285 -3.721 -16.102 1.00 4.21 C ATOM 237 CD2 PHE A 14 12.968 -4.867 -14.478 1.00 52.13 C ATOM 238 CE1 PHE A 14 15.182 -4.773 -16.122 1.00 1.41 C ATOM 239 CE2 PHE A 14 13.861 -5.921 -14.494 1.00 22.33 C ATOM 240 CZ PHE A 14 14.969 -5.875 -15.317 1.00 40.34 C ATOM 0 H PHE A 14 13.549 -1.199 -16.763 1.00 61.32 H new ATOM 0 HA PHE A 14 12.025 -0.617 -14.479 1.00 15.53 H new ATOM 0 HB2 PHE A 14 11.367 -2.862 -14.602 1.00 50.34 H new ATOM 0 HB3 PHE A 14 11.784 -2.479 -16.261 1.00 50.34 H new ATOM 0 HD1 PHE A 14 14.456 -2.862 -16.734 1.00 4.21 H new ATOM 0 HD2 PHE A 14 12.103 -4.909 -13.833 1.00 52.13 H new ATOM 0 HE1 PHE A 14 16.048 -4.733 -16.766 1.00 1.41 H new ATOM 0 HE2 PHE A 14 13.693 -6.781 -13.863 1.00 22.33 H new ATOM 0 HZ PHE A 14 15.667 -6.699 -15.331 1.00 40.34 H new ATOM 250 N GLU A 15 15.029 -1.750 -13.913 1.00 31.42 N ATOM 251 CA GLU A 15 16.021 -2.002 -12.874 1.00 71.02 C ATOM 252 C GLU A 15 16.478 -0.696 -12.231 1.00 25.11 C ATOM 253 O GLU A 15 16.873 -0.671 -11.065 1.00 14.11 O ATOM 254 CB GLU A 15 17.225 -2.745 -13.457 1.00 33.40 C ATOM 255 CG GLU A 15 18.397 -2.854 -12.496 1.00 53.20 C ATOM 256 CD GLU A 15 19.541 -1.930 -12.865 1.00 62.33 C ATOM 257 OE1 GLU A 15 19.293 -0.929 -13.569 1.00 63.45 O ATOM 258 OE2 GLU A 15 20.685 -2.209 -12.449 1.00 64.03 O ATOM 0 H GLU A 15 15.402 -1.751 -14.862 1.00 31.42 H new ATOM 0 HA GLU A 15 15.557 -2.622 -12.107 1.00 71.02 H new ATOM 0 HB2 GLU A 15 16.914 -3.747 -13.753 1.00 33.40 H new ATOM 0 HB3 GLU A 15 17.554 -2.233 -14.361 1.00 33.40 H new ATOM 0 HG2 GLU A 15 18.058 -2.621 -11.487 1.00 53.20 H new ATOM 0 HG3 GLU A 15 18.756 -3.883 -12.482 1.00 53.20 H new ATOM 265 N ARG A 16 16.423 0.386 -13.000 1.00 5.51 N ATOM 266 CA ARG A 16 16.834 1.696 -12.507 1.00 34.43 C ATOM 267 C ARG A 16 15.744 2.315 -11.637 1.00 33.35 C ATOM 268 O ARG A 16 16.027 2.901 -10.591 1.00 22.10 O ATOM 269 CB ARG A 16 17.157 2.627 -13.677 1.00 22.44 C ATOM 270 CG ARG A 16 18.642 2.720 -13.988 1.00 70.22 C ATOM 271 CD ARG A 16 18.888 2.897 -15.478 1.00 45.12 C ATOM 272 NE ARG A 16 19.133 4.293 -15.830 1.00 44.22 N ATOM 273 CZ ARG A 16 19.051 4.764 -17.070 1.00 23.13 C ATOM 274 NH1 ARG A 16 18.732 3.954 -18.070 1.00 13.41 N ATOM 275 NH2 ARG A 16 19.289 6.047 -17.310 1.00 55.04 N ATOM 0 H ARG A 16 16.098 0.382 -13.967 1.00 5.51 H new ATOM 0 HA ARG A 16 17.729 1.563 -11.900 1.00 34.43 H new ATOM 0 HB2 ARG A 16 16.629 2.278 -14.565 1.00 22.44 H new ATOM 0 HB3 ARG A 16 16.778 3.624 -13.453 1.00 22.44 H new ATOM 0 HG2 ARG A 16 19.077 3.558 -13.444 1.00 70.22 H new ATOM 0 HG3 ARG A 16 19.145 1.818 -13.639 1.00 70.22 H new ATOM 0 HD2 ARG A 16 19.743 2.292 -15.779 1.00 45.12 H new ATOM 0 HD3 ARG A 16 18.026 2.529 -16.034 1.00 45.12 H new ATOM 0 HE ARG A 16 19.381 4.942 -15.083 1.00 44.22 H new ATOM 0 HH11 ARG A 16 18.549 2.967 -17.888 1.00 13.41 H new ATOM 0 HH12 ARG A 16 18.670 4.318 -19.021 1.00 13.41 H new ATOM 0 HH21 ARG A 16 19.535 6.672 -16.543 1.00 55.04 H new ATOM 0 HH22 ARG A 16 19.226 6.408 -18.262 1.00 55.04 H new ATOM 289 N LEU A 17 14.497 2.181 -12.075 1.00 71.00 N ATOM 290 CA LEU A 17 13.363 2.727 -11.337 1.00 5.42 C ATOM 291 C LEU A 17 13.159 1.981 -10.023 1.00 34.34 C ATOM 292 O LEU A 17 12.638 2.537 -9.057 1.00 14.33 O ATOM 293 CB LEU A 17 12.092 2.650 -12.184 1.00 64.32 C ATOM 294 CG LEU A 17 11.362 3.972 -12.422 1.00 2.03 C ATOM 295 CD1 LEU A 17 10.981 4.617 -11.098 1.00 65.20 C ATOM 296 CD2 LEU A 17 12.223 4.916 -13.249 1.00 22.34 C ATOM 0 H LEU A 17 14.245 1.699 -12.938 1.00 71.00 H new ATOM 0 HA LEU A 17 13.577 3.771 -11.111 1.00 5.42 H new ATOM 0 HB2 LEU A 17 12.350 2.221 -13.152 1.00 64.32 H new ATOM 0 HB3 LEU A 17 11.401 1.958 -11.703 1.00 64.32 H new ATOM 0 HG LEU A 17 10.448 3.765 -12.979 1.00 2.03 H new ATOM 0 HD11 LEU A 17 10.462 5.557 -11.287 1.00 65.20 H new ATOM 0 HD12 LEU A 17 10.326 3.947 -10.542 1.00 65.20 H new ATOM 0 HD13 LEU A 17 11.881 4.810 -10.515 1.00 65.20 H new ATOM 0 HD21 LEU A 17 11.687 5.852 -13.408 1.00 22.34 H new ATOM 0 HD22 LEU A 17 13.154 5.117 -12.720 1.00 22.34 H new ATOM 0 HD23 LEU A 17 12.445 4.456 -14.212 1.00 22.34 H new ATOM 308 N GLU A 18 13.574 0.718 -9.994 1.00 42.31 N ATOM 309 CA GLU A 18 13.437 -0.104 -8.797 1.00 50.44 C ATOM 310 C GLU A 18 14.111 0.562 -7.600 1.00 74.55 C ATOM 311 O GLU A 18 13.685 0.385 -6.459 1.00 40.45 O ATOM 312 CB GLU A 18 14.041 -1.490 -9.032 1.00 4.45 C ATOM 313 CG GLU A 18 13.209 -2.622 -8.454 1.00 22.02 C ATOM 314 CD GLU A 18 12.865 -3.679 -9.486 1.00 4.43 C ATOM 315 OE1 GLU A 18 12.307 -3.317 -10.542 1.00 70.14 O ATOM 316 OE2 GLU A 18 13.155 -4.867 -9.236 1.00 24.41 O ATOM 0 H GLU A 18 14.008 0.242 -10.785 1.00 42.31 H new ATOM 0 HA GLU A 18 12.374 -0.211 -8.580 1.00 50.44 H new ATOM 0 HB2 GLU A 18 14.160 -1.648 -10.104 1.00 4.45 H new ATOM 0 HB3 GLU A 18 15.038 -1.522 -8.593 1.00 4.45 H new ATOM 0 HG2 GLU A 18 13.754 -3.086 -7.632 1.00 22.02 H new ATOM 0 HG3 GLU A 18 12.289 -2.215 -8.036 1.00 22.02 H new ATOM 323 N GLU A 19 15.164 1.326 -7.871 1.00 24.50 N ATOM 324 CA GLU A 19 15.898 2.016 -6.816 1.00 74.42 C ATOM 325 C GLU A 19 15.181 3.299 -6.405 1.00 61.34 C ATOM 326 O GLU A 19 15.329 3.772 -5.278 1.00 11.21 O ATOM 327 CB GLU A 19 17.319 2.339 -7.280 1.00 64.43 C ATOM 328 CG GLU A 19 18.076 3.255 -6.333 1.00 34.31 C ATOM 329 CD GLU A 19 18.169 4.678 -6.848 1.00 64.22 C ATOM 330 OE1 GLU A 19 18.762 4.879 -7.929 1.00 75.34 O ATOM 331 OE2 GLU A 19 17.651 5.590 -6.171 1.00 44.00 O ATOM 0 H GLU A 19 15.528 1.483 -8.811 1.00 24.50 H new ATOM 0 HA GLU A 19 15.948 1.355 -5.951 1.00 74.42 H new ATOM 0 HB2 GLU A 19 17.875 1.408 -7.394 1.00 64.43 H new ATOM 0 HB3 GLU A 19 17.273 2.805 -8.264 1.00 64.43 H new ATOM 0 HG2 GLU A 19 17.582 3.256 -5.362 1.00 34.31 H new ATOM 0 HG3 GLU A 19 19.081 2.862 -6.179 1.00 34.31 H new ATOM 338 N LEU A 20 14.405 3.857 -7.328 1.00 1.02 N ATOM 339 CA LEU A 20 13.665 5.086 -7.063 1.00 41.12 C ATOM 340 C LEU A 20 12.659 4.884 -5.934 1.00 63.25 C ATOM 341 O LEU A 20 12.430 5.784 -5.126 1.00 34.20 O ATOM 342 CB LEU A 20 12.942 5.552 -8.328 1.00 64.03 C ATOM 343 CG LEU A 20 13.392 6.896 -8.902 1.00 0.34 C ATOM 344 CD1 LEU A 20 14.347 6.687 -10.067 1.00 14.21 C ATOM 345 CD2 LEU A 20 12.189 7.720 -9.337 1.00 34.12 C ATOM 0 H LEU A 20 14.272 3.478 -8.266 1.00 1.02 H new ATOM 0 HA LEU A 20 14.378 5.851 -6.756 1.00 41.12 H new ATOM 0 HB2 LEU A 20 13.070 4.790 -9.097 1.00 64.03 H new ATOM 0 HB3 LEU A 20 11.875 5.611 -8.112 1.00 64.03 H new ATOM 0 HG LEU A 20 13.919 7.444 -8.121 1.00 0.34 H new ATOM 0 HD11 LEU A 20 14.656 7.655 -10.462 1.00 14.21 H new ATOM 0 HD12 LEU A 20 15.224 6.138 -9.724 1.00 14.21 H new ATOM 0 HD13 LEU A 20 13.846 6.118 -10.851 1.00 14.21 H new ATOM 0 HD21 LEU A 20 12.528 8.673 -9.743 1.00 34.12 H new ATOM 0 HD22 LEU A 20 11.633 7.177 -10.102 1.00 34.12 H new ATOM 0 HD23 LEU A 20 11.542 7.901 -8.478 1.00 34.12 H new ATOM 357 N ILE A 21 12.064 3.697 -5.885 1.00 24.32 N ATOM 358 CA ILE A 21 11.086 3.376 -4.853 1.00 60.31 C ATOM 359 C ILE A 21 11.765 2.823 -3.605 1.00 30.14 C ATOM 360 O ILE A 21 11.313 3.059 -2.485 1.00 34.41 O ATOM 361 CB ILE A 21 10.052 2.352 -5.357 1.00 73.02 C ATOM 362 CG1 ILE A 21 8.985 2.104 -4.289 1.00 31.12 C ATOM 363 CG2 ILE A 21 10.739 1.050 -5.740 1.00 74.41 C ATOM 364 CD1 ILE A 21 8.206 3.345 -3.913 1.00 4.14 C ATOM 0 H ILE A 21 12.242 2.942 -6.547 1.00 24.32 H new ATOM 0 HA ILE A 21 10.574 4.305 -4.604 1.00 60.31 H new ATOM 0 HB ILE A 21 9.564 2.757 -6.244 1.00 73.02 H new ATOM 0 HG12 ILE A 21 8.291 1.345 -4.650 1.00 31.12 H new ATOM 0 HG13 ILE A 21 9.463 1.701 -3.396 1.00 31.12 H new ATOM 0 HG21 ILE A 21 9.995 0.337 -6.094 1.00 74.41 H new ATOM 0 HG22 ILE A 21 11.465 1.240 -6.531 1.00 74.41 H new ATOM 0 HG23 ILE A 21 11.251 0.639 -4.870 1.00 74.41 H new ATOM 0 HD11 ILE A 21 7.468 3.094 -3.151 1.00 4.14 H new ATOM 0 HD12 ILE A 21 8.889 4.099 -3.522 1.00 4.14 H new ATOM 0 HD13 ILE A 21 7.699 3.737 -4.795 1.00 4.14 H new ATOM 376 N GLU A 22 12.854 2.088 -3.806 1.00 63.01 N ATOM 377 CA GLU A 22 13.596 1.503 -2.696 1.00 23.34 C ATOM 378 C GLU A 22 14.021 2.577 -1.699 1.00 4.21 C ATOM 379 O GLU A 22 14.215 2.301 -0.515 1.00 32.31 O ATOM 380 CB GLU A 22 14.827 0.756 -3.213 1.00 64.21 C ATOM 381 CG GLU A 22 15.143 -0.510 -2.435 1.00 32.52 C ATOM 382 CD GLU A 22 15.668 -1.624 -3.320 1.00 52.12 C ATOM 383 OE1 GLU A 22 16.297 -1.313 -4.353 1.00 43.31 O ATOM 384 OE2 GLU A 22 15.449 -2.806 -2.981 1.00 4.50 O ATOM 0 H GLU A 22 13.242 1.884 -4.727 1.00 63.01 H new ATOM 0 HA GLU A 22 12.940 0.798 -2.186 1.00 23.34 H new ATOM 0 HB2 GLU A 22 14.672 0.499 -4.261 1.00 64.21 H new ATOM 0 HB3 GLU A 22 15.689 1.422 -3.172 1.00 64.21 H new ATOM 0 HG2 GLU A 22 15.881 -0.284 -1.665 1.00 32.52 H new ATOM 0 HG3 GLU A 22 14.243 -0.851 -1.923 1.00 32.52 H new ATOM 391 N LYS A 23 14.166 3.805 -2.187 1.00 34.41 N ATOM 392 CA LYS A 23 14.567 4.922 -1.341 1.00 40.42 C ATOM 393 C LYS A 23 13.478 5.256 -0.327 1.00 33.21 C ATOM 394 O LYS A 23 13.766 5.535 0.836 1.00 15.14 O ATOM 395 CB LYS A 23 14.874 6.152 -2.198 1.00 44.43 C ATOM 396 CG LYS A 23 16.352 6.498 -2.258 1.00 1.41 C ATOM 397 CD LYS A 23 16.571 7.936 -2.699 1.00 31.10 C ATOM 398 CE LYS A 23 17.938 8.121 -3.339 1.00 63.40 C ATOM 399 NZ LYS A 23 18.174 9.534 -3.746 1.00 20.43 N ATOM 0 H LYS A 23 14.011 4.051 -3.165 1.00 34.41 H new ATOM 0 HA LYS A 23 15.466 4.630 -0.799 1.00 40.42 H new ATOM 0 HB2 LYS A 23 14.508 5.980 -3.210 1.00 44.43 H new ATOM 0 HB3 LYS A 23 14.325 7.006 -1.802 1.00 44.43 H new ATOM 0 HG2 LYS A 23 16.803 6.345 -1.277 1.00 1.41 H new ATOM 0 HG3 LYS A 23 16.857 5.824 -2.950 1.00 1.41 H new ATOM 0 HD2 LYS A 23 15.794 8.222 -3.408 1.00 31.10 H new ATOM 0 HD3 LYS A 23 16.478 8.599 -1.839 1.00 31.10 H new ATOM 0 HE2 LYS A 23 18.712 7.811 -2.637 1.00 63.40 H new ATOM 0 HE3 LYS A 23 18.021 7.473 -4.212 1.00 63.40 H new ATOM 0 HZ1 LYS A 23 19.116 9.618 -4.178 1.00 20.43 H new ATOM 0 HZ2 LYS A 23 17.450 9.822 -4.435 1.00 20.43 H new ATOM 0 HZ3 LYS A 23 18.120 10.150 -2.910 1.00 20.43 H new ATOM 413 N GLU A 24 12.227 5.223 -0.776 1.00 11.00 N ATOM 414 CA GLU A 24 11.095 5.521 0.094 1.00 5.41 C ATOM 415 C GLU A 24 10.826 4.365 1.052 1.00 31.50 C ATOM 416 O GLU A 24 10.273 4.557 2.134 1.00 13.23 O ATOM 417 CB GLU A 24 9.845 5.810 -0.739 1.00 40.11 C ATOM 418 CG GLU A 24 9.037 6.994 -0.234 1.00 70.41 C ATOM 419 CD GLU A 24 7.747 6.573 0.442 1.00 14.12 C ATOM 420 OE1 GLU A 24 7.778 5.601 1.226 1.00 73.03 O ATOM 421 OE2 GLU A 24 6.706 7.215 0.188 1.00 3.11 O ATOM 0 H GLU A 24 11.972 4.993 -1.736 1.00 11.00 H new ATOM 0 HA GLU A 24 11.344 6.405 0.681 1.00 5.41 H new ATOM 0 HB2 GLU A 24 10.142 5.997 -1.771 1.00 40.11 H new ATOM 0 HB3 GLU A 24 9.210 4.924 -0.745 1.00 40.11 H new ATOM 0 HG2 GLU A 24 9.641 7.568 0.469 1.00 70.41 H new ATOM 0 HG3 GLU A 24 8.806 7.655 -1.070 1.00 70.41 H new ATOM 428 N MET A 25 11.221 3.163 0.645 1.00 75.43 N ATOM 429 CA MET A 25 11.022 1.974 1.467 1.00 42.43 C ATOM 430 C MET A 25 11.801 2.082 2.774 1.00 71.51 C ATOM 431 O MET A 25 12.886 2.661 2.814 1.00 13.31 O ATOM 432 CB MET A 25 11.455 0.722 0.703 1.00 63.43 C ATOM 433 CG MET A 25 10.606 0.435 -0.525 1.00 62.30 C ATOM 434 SD MET A 25 8.886 0.083 -0.113 1.00 43.34 S ATOM 435 CE MET A 25 9.085 -1.257 1.058 1.00 45.11 C ATOM 0 H MET A 25 11.680 2.986 -0.248 1.00 75.43 H new ATOM 0 HA MET A 25 9.960 1.898 1.702 1.00 42.43 H new ATOM 0 HB2 MET A 25 12.495 0.835 0.397 1.00 63.43 H new ATOM 0 HB3 MET A 25 11.411 -0.136 1.374 1.00 63.43 H new ATOM 0 HG2 MET A 25 10.646 1.291 -1.198 1.00 62.30 H new ATOM 0 HG3 MET A 25 11.028 -0.414 -1.063 1.00 62.30 H new ATOM 0 HE1 MET A 25 8.113 -1.702 1.270 1.00 45.11 H new ATOM 0 HE2 MET A 25 9.747 -2.014 0.636 1.00 45.11 H new ATOM 0 HE3 MET A 25 9.517 -0.872 1.982 1.00 45.11 H new ATOM 445 N GLN A 26 11.240 1.519 3.840 1.00 53.44 N ATOM 446 CA GLN A 26 11.882 1.554 5.148 1.00 22.51 C ATOM 447 C GLN A 26 13.184 0.759 5.136 1.00 2.31 C ATOM 448 O GLN A 26 13.420 -0.079 4.266 1.00 23.10 O ATOM 449 CB GLN A 26 10.941 0.996 6.217 1.00 74.12 C ATOM 450 CG GLN A 26 10.348 2.063 7.122 1.00 0.35 C ATOM 451 CD GLN A 26 10.343 1.653 8.582 1.00 54.21 C ATOM 452 OE1 GLN A 26 10.218 0.472 8.906 1.00 24.22 O ATOM 453 NE2 GLN A 26 10.478 2.629 9.472 1.00 52.31 N ATOM 0 H GLN A 26 10.343 1.034 3.823 1.00 53.44 H new ATOM 0 HA GLN A 26 12.113 2.593 5.384 1.00 22.51 H new ATOM 0 HB2 GLN A 26 10.131 0.454 5.729 1.00 74.12 H new ATOM 0 HB3 GLN A 26 11.485 0.275 6.827 1.00 74.12 H new ATOM 0 HG2 GLN A 26 10.916 2.986 7.010 1.00 0.35 H new ATOM 0 HG3 GLN A 26 9.327 2.277 6.805 1.00 0.35 H new ATOM 0 HE21 GLN A 26 10.579 3.594 9.159 1.00 52.31 H new ATOM 0 HE22 GLN A 26 10.481 2.413 10.469 1.00 52.31 H new ATOM 462 N PRO A 27 14.051 1.028 6.124 1.00 72.10 N ATOM 463 CA PRO A 27 15.344 0.349 6.249 1.00 32.41 C ATOM 464 C PRO A 27 15.193 -1.116 6.647 1.00 42.22 C ATOM 465 O PRO A 27 16.169 -1.865 6.673 1.00 53.10 O ATOM 466 CB PRO A 27 16.051 1.133 7.357 1.00 41.53 C ATOM 467 CG PRO A 27 14.949 1.727 8.164 1.00 75.12 C ATOM 468 CD PRO A 27 13.835 2.015 7.195 1.00 20.01 C ATOM 0 HA PRO A 27 15.889 0.333 5.305 1.00 32.41 H new ATOM 0 HB2 PRO A 27 16.679 0.481 7.964 1.00 41.53 H new ATOM 0 HB3 PRO A 27 16.699 1.905 6.943 1.00 41.53 H new ATOM 0 HG2 PRO A 27 14.621 1.039 8.943 1.00 75.12 H new ATOM 0 HG3 PRO A 27 15.278 2.639 8.663 1.00 75.12 H new ATOM 0 HD2 PRO A 27 12.857 1.895 7.660 1.00 20.01 H new ATOM 0 HD3 PRO A 27 13.885 3.036 6.817 1.00 20.01 H new ATOM 476 N ASN A 28 13.964 -1.517 6.955 1.00 23.05 N ATOM 477 CA ASN A 28 13.686 -2.893 7.352 1.00 5.31 C ATOM 478 C ASN A 28 12.337 -3.353 6.809 1.00 21.42 C ATOM 479 O ASN A 28 11.636 -4.137 7.448 1.00 73.34 O ATOM 480 CB ASN A 28 13.706 -3.020 8.877 1.00 53.33 C ATOM 481 CG ASN A 28 14.303 -4.335 9.340 1.00 54.41 C ATOM 482 OD1 ASN A 28 15.501 -4.573 9.188 1.00 11.31 O ATOM 483 ND2 ASN A 28 13.467 -5.196 9.908 1.00 12.11 N ATOM 0 H ASN A 28 13.145 -0.909 6.937 1.00 23.05 H new ATOM 0 HA ASN A 28 14.463 -3.531 6.931 1.00 5.31 H new ATOM 0 HB2 ASN A 28 14.279 -2.195 9.300 1.00 53.33 H new ATOM 0 HB3 ASN A 28 12.689 -2.931 9.260 1.00 53.33 H new ATOM 0 HD21 ASN A 28 13.811 -6.097 10.239 1.00 12.11 H new ATOM 0 HD22 ASN A 28 12.481 -4.956 10.013 1.00 12.11 H new ATOM 490 N GLU A 29 11.982 -2.861 5.627 1.00 55.32 N ATOM 491 CA GLU A 29 10.716 -3.222 4.999 1.00 62.13 C ATOM 492 C GLU A 29 10.946 -4.133 3.796 1.00 22.35 C ATOM 493 O GLU A 29 12.065 -4.248 3.295 1.00 13.21 O ATOM 494 CB GLU A 29 9.960 -1.965 4.563 1.00 65.15 C ATOM 495 CG GLU A 29 8.726 -1.676 5.400 1.00 2.41 C ATOM 496 CD GLU A 29 7.518 -2.476 4.955 1.00 70.33 C ATOM 497 OE1 GLU A 29 7.384 -3.640 5.388 1.00 52.41 O ATOM 498 OE2 GLU A 29 6.706 -1.938 4.173 1.00 62.55 O ATOM 0 H GLU A 29 12.552 -2.212 5.085 1.00 55.32 H new ATOM 0 HA GLU A 29 10.117 -3.761 5.733 1.00 62.13 H new ATOM 0 HB2 GLU A 29 10.633 -1.110 4.616 1.00 65.15 H new ATOM 0 HB3 GLU A 29 9.664 -2.073 3.520 1.00 65.15 H new ATOM 0 HG2 GLU A 29 8.940 -1.900 6.445 1.00 2.41 H new ATOM 0 HG3 GLU A 29 8.494 -0.613 5.343 1.00 2.41 H new ATOM 505 N VAL A 30 9.879 -4.781 3.339 1.00 0.41 N ATOM 506 CA VAL A 30 9.963 -5.682 2.196 1.00 42.41 C ATOM 507 C VAL A 30 9.552 -4.976 0.909 1.00 44.34 C ATOM 508 O VAL A 30 8.667 -4.121 0.913 1.00 42.13 O ATOM 509 CB VAL A 30 9.074 -6.924 2.394 1.00 41.35 C ATOM 510 CG1 VAL A 30 7.622 -6.596 2.083 1.00 54.24 C ATOM 511 CG2 VAL A 30 9.567 -8.074 1.528 1.00 14.05 C ATOM 0 H VAL A 30 8.946 -4.699 3.743 1.00 0.41 H new ATOM 0 HA VAL A 30 11.003 -5.998 2.117 1.00 42.41 H new ATOM 0 HB VAL A 30 9.136 -7.232 3.438 1.00 41.35 H new ATOM 0 HG11 VAL A 30 7.009 -7.485 2.228 1.00 54.24 H new ATOM 0 HG12 VAL A 30 7.277 -5.805 2.749 1.00 54.24 H new ATOM 0 HG13 VAL A 30 7.538 -6.262 1.049 1.00 54.24 H new ATOM 0 HG21 VAL A 30 8.928 -8.944 1.680 1.00 14.05 H new ATOM 0 HG22 VAL A 30 9.535 -7.779 0.479 1.00 14.05 H new ATOM 0 HG23 VAL A 30 10.591 -8.324 1.804 1.00 14.05 H new ATOM 521 N ALA A 31 10.202 -5.340 -0.192 1.00 55.15 N ATOM 522 CA ALA A 31 9.902 -4.743 -1.488 1.00 61.43 C ATOM 523 C ALA A 31 9.663 -5.817 -2.545 1.00 4.12 C ATOM 524 O ALA A 31 10.582 -6.546 -2.921 1.00 11.13 O ATOM 525 CB ALA A 31 11.032 -3.820 -1.918 1.00 2.52 C ATOM 0 H ALA A 31 10.939 -6.045 -0.212 1.00 55.15 H new ATOM 0 HA ALA A 31 8.988 -4.158 -1.388 1.00 61.43 H new ATOM 0 HB1 ALA A 31 10.795 -3.381 -2.887 1.00 2.52 H new ATOM 0 HB2 ALA A 31 11.154 -3.027 -1.181 1.00 2.52 H new ATOM 0 HB3 ALA A 31 11.958 -4.390 -1.995 1.00 2.52 H new ATOM 531 N ILE A 32 8.426 -5.909 -3.019 1.00 14.20 N ATOM 532 CA ILE A 32 8.067 -6.893 -4.032 1.00 65.43 C ATOM 533 C ILE A 32 8.146 -6.295 -5.433 1.00 2.44 C ATOM 534 O ILE A 32 7.283 -5.515 -5.835 1.00 51.25 O ATOM 535 CB ILE A 32 6.649 -7.448 -3.802 1.00 41.33 C ATOM 536 CG1 ILE A 32 6.624 -8.349 -2.566 1.00 4.52 C ATOM 537 CG2 ILE A 32 6.173 -8.210 -5.030 1.00 20.44 C ATOM 538 CD1 ILE A 32 5.503 -8.024 -1.604 1.00 0.31 C ATOM 0 H ILE A 32 7.655 -5.314 -2.718 1.00 14.20 H new ATOM 0 HA ILE A 32 8.785 -7.708 -3.947 1.00 65.43 H new ATOM 0 HB ILE A 32 5.971 -6.612 -3.632 1.00 41.33 H new ATOM 0 HG12 ILE A 32 6.529 -9.387 -2.885 1.00 4.52 H new ATOM 0 HG13 ILE A 32 7.577 -8.262 -2.044 1.00 4.52 H new ATOM 0 HG21 ILE A 32 5.169 -8.596 -4.852 1.00 20.44 H new ATOM 0 HG22 ILE A 32 6.157 -7.541 -5.890 1.00 20.44 H new ATOM 0 HG23 ILE A 32 6.851 -9.040 -5.229 1.00 20.44 H new ATOM 0 HD11 ILE A 32 5.547 -8.702 -0.752 1.00 0.31 H new ATOM 0 HD12 ILE A 32 5.609 -6.996 -1.256 1.00 0.31 H new ATOM 0 HD13 ILE A 32 4.544 -8.139 -2.110 1.00 0.31 H new ATOM 550 N PHE A 33 9.187 -6.666 -6.171 1.00 74.03 N ATOM 551 CA PHE A 33 9.378 -6.167 -7.528 1.00 3.52 C ATOM 552 C PHE A 33 9.004 -7.229 -8.557 1.00 32.33 C ATOM 553 O PHE A 33 9.747 -8.186 -8.775 1.00 51.54 O ATOM 554 CB PHE A 33 10.831 -5.731 -7.733 1.00 74.02 C ATOM 555 CG PHE A 33 11.320 -4.767 -6.691 1.00 43.52 C ATOM 556 CD1 PHE A 33 10.501 -3.749 -6.231 1.00 13.42 C ATOM 557 CD2 PHE A 33 12.600 -4.878 -6.172 1.00 31.03 C ATOM 558 CE1 PHE A 33 10.949 -2.859 -5.273 1.00 22.34 C ATOM 559 CE2 PHE A 33 13.054 -3.992 -5.213 1.00 12.11 C ATOM 560 CZ PHE A 33 12.227 -2.982 -4.762 1.00 52.21 C ATOM 0 H PHE A 33 9.911 -7.310 -5.852 1.00 74.03 H new ATOM 0 HA PHE A 33 8.724 -5.306 -7.667 1.00 3.52 H new ATOM 0 HB2 PHE A 33 11.471 -6.613 -7.729 1.00 74.02 H new ATOM 0 HB3 PHE A 33 10.929 -5.271 -8.716 1.00 74.02 H new ATOM 0 HD1 PHE A 33 9.501 -3.649 -6.626 1.00 13.42 H new ATOM 0 HD2 PHE A 33 13.251 -5.666 -6.521 1.00 31.03 H new ATOM 0 HE1 PHE A 33 10.301 -2.068 -4.924 1.00 22.34 H new ATOM 0 HE2 PHE A 33 14.054 -4.089 -4.817 1.00 12.11 H new ATOM 0 HZ PHE A 33 12.578 -2.290 -4.011 1.00 52.21 H new ATOM 570 N MET A 34 7.846 -7.054 -9.185 1.00 33.22 N ATOM 571 CA MET A 34 7.372 -7.998 -10.191 1.00 43.41 C ATOM 572 C MET A 34 8.042 -7.738 -11.537 1.00 74.10 C ATOM 573 O MET A 34 8.104 -6.599 -12.001 1.00 71.42 O ATOM 574 CB MET A 34 5.852 -7.901 -10.337 1.00 5.40 C ATOM 575 CG MET A 34 5.093 -8.849 -9.424 1.00 14.12 C ATOM 576 SD MET A 34 3.861 -9.826 -10.307 1.00 13.51 S ATOM 577 CE MET A 34 4.858 -10.517 -11.624 1.00 71.22 C ATOM 0 H MET A 34 7.219 -6.268 -9.015 1.00 33.22 H new ATOM 0 HA MET A 34 7.634 -9.004 -9.862 1.00 43.41 H new ATOM 0 HB2 MET A 34 5.539 -6.878 -10.126 1.00 5.40 H new ATOM 0 HB3 MET A 34 5.580 -8.110 -11.372 1.00 5.40 H new ATOM 0 HG2 MET A 34 5.800 -9.519 -8.934 1.00 14.12 H new ATOM 0 HG3 MET A 34 4.601 -8.275 -8.639 1.00 14.12 H new ATOM 0 HE1 MET A 34 4.448 -10.215 -12.588 1.00 71.22 H new ATOM 0 HE2 MET A 34 5.882 -10.153 -11.535 1.00 71.22 H new ATOM 0 HE3 MET A 34 4.852 -11.605 -11.552 1.00 71.22 H new ATOM 587 N PHE A 35 8.541 -8.801 -12.159 1.00 42.20 N ATOM 588 CA PHE A 35 9.207 -8.687 -13.451 1.00 62.34 C ATOM 589 C PHE A 35 8.735 -9.782 -14.404 1.00 44.44 C ATOM 590 O PHE A 35 8.743 -10.963 -14.061 1.00 24.10 O ATOM 591 CB PHE A 35 10.725 -8.768 -13.276 1.00 0.04 C ATOM 592 CG PHE A 35 11.205 -10.117 -12.822 1.00 1.24 C ATOM 593 CD1 PHE A 35 10.898 -10.586 -11.555 1.00 14.03 C ATOM 594 CD2 PHE A 35 11.964 -10.915 -13.662 1.00 23.43 C ATOM 595 CE1 PHE A 35 11.337 -11.827 -11.134 1.00 4.01 C ATOM 596 CE2 PHE A 35 12.406 -12.157 -13.247 1.00 25.35 C ATOM 597 CZ PHE A 35 12.094 -12.613 -11.981 1.00 32.13 C ATOM 0 H PHE A 35 8.497 -9.751 -11.789 1.00 42.20 H new ATOM 0 HA PHE A 35 8.949 -7.719 -13.880 1.00 62.34 H new ATOM 0 HB2 PHE A 35 11.206 -8.520 -14.222 1.00 0.04 H new ATOM 0 HB3 PHE A 35 11.040 -8.017 -12.552 1.00 0.04 H new ATOM 0 HD1 PHE A 35 10.308 -9.974 -10.888 1.00 14.03 H new ATOM 0 HD2 PHE A 35 12.213 -10.563 -14.652 1.00 23.43 H new ATOM 0 HE1 PHE A 35 11.089 -12.182 -10.145 1.00 4.01 H new ATOM 0 HE2 PHE A 35 12.995 -12.771 -13.912 1.00 25.35 H new ATOM 0 HZ PHE A 35 12.441 -13.582 -11.654 1.00 32.13 H new ATOM 607 N GLU A 36 8.324 -9.378 -15.602 1.00 45.05 N ATOM 608 CA GLU A 36 7.848 -10.324 -16.605 1.00 13.05 C ATOM 609 C GLU A 36 8.902 -10.550 -17.684 1.00 62.51 C ATOM 610 O GLU A 36 8.772 -11.449 -18.516 1.00 3.22 O ATOM 611 CB GLU A 36 6.552 -9.817 -17.240 1.00 75.44 C ATOM 612 CG GLU A 36 6.711 -8.501 -17.981 1.00 42.45 C ATOM 613 CD GLU A 36 6.751 -8.679 -19.487 1.00 24.43 C ATOM 614 OE1 GLU A 36 5.864 -9.372 -20.026 1.00 71.34 O ATOM 615 OE2 GLU A 36 7.671 -8.126 -20.125 1.00 1.50 O ATOM 0 H GLU A 36 8.311 -8.403 -15.902 1.00 45.05 H new ATOM 0 HA GLU A 36 7.654 -11.274 -16.108 1.00 13.05 H new ATOM 0 HB2 GLU A 36 6.178 -10.571 -17.932 1.00 75.44 H new ATOM 0 HB3 GLU A 36 5.799 -9.697 -16.461 1.00 75.44 H new ATOM 0 HG2 GLU A 36 5.885 -7.839 -17.719 1.00 42.45 H new ATOM 0 HG3 GLU A 36 7.628 -8.012 -17.652 1.00 42.45 H new ATOM 622 N VAL A 37 9.947 -9.728 -17.665 1.00 34.42 N ATOM 623 CA VAL A 37 11.024 -9.838 -18.641 1.00 22.23 C ATOM 624 C VAL A 37 11.998 -10.948 -18.261 1.00 44.32 C ATOM 625 O VAL A 37 12.119 -11.309 -17.091 1.00 40.04 O ATOM 626 CB VAL A 37 11.798 -8.513 -18.773 1.00 65.34 C ATOM 627 CG1 VAL A 37 12.689 -8.536 -20.007 1.00 35.04 C ATOM 628 CG2 VAL A 37 10.836 -7.337 -18.822 1.00 54.42 C ATOM 0 H VAL A 37 10.070 -8.979 -16.984 1.00 34.42 H new ATOM 0 HA VAL A 37 10.561 -10.077 -19.599 1.00 22.23 H new ATOM 0 HB VAL A 37 12.435 -8.395 -17.896 1.00 65.34 H new ATOM 0 HG11 VAL A 37 13.228 -7.592 -20.084 1.00 35.04 H new ATOM 0 HG12 VAL A 37 13.403 -9.356 -19.925 1.00 35.04 H new ATOM 0 HG13 VAL A 37 12.075 -8.677 -20.897 1.00 35.04 H new ATOM 0 HG21 VAL A 37 11.400 -6.409 -18.915 1.00 54.42 H new ATOM 0 HG22 VAL A 37 10.172 -7.446 -19.679 1.00 54.42 H new ATOM 0 HG23 VAL A 37 10.245 -7.312 -17.906 1.00 54.42 H new ATOM 638 N GLY A 38 12.693 -11.485 -19.259 1.00 60.25 N ATOM 639 CA GLY A 38 13.649 -12.548 -19.010 1.00 73.51 C ATOM 640 C GLY A 38 14.889 -12.056 -18.292 1.00 25.11 C ATOM 641 O GLY A 38 15.731 -12.852 -17.876 1.00 21.43 O ATOM 0 H GLY A 38 12.611 -11.203 -20.236 1.00 60.25 H new ATOM 0 HA2 GLY A 38 13.174 -13.328 -18.415 1.00 73.51 H new ATOM 0 HA3 GLY A 38 13.938 -13.002 -19.958 1.00 73.51 H new ATOM 645 N ASP A 39 15.005 -10.741 -18.147 1.00 55.45 N ATOM 646 CA ASP A 39 16.152 -10.143 -17.475 1.00 42.31 C ATOM 647 C ASP A 39 16.117 -10.433 -15.978 1.00 15.42 C ATOM 648 O ASP A 39 15.648 -9.613 -15.187 1.00 63.13 O ATOM 649 CB ASP A 39 16.181 -8.632 -17.714 1.00 75.33 C ATOM 650 CG ASP A 39 16.780 -8.270 -19.059 1.00 73.20 C ATOM 651 OD1 ASP A 39 18.013 -8.395 -19.212 1.00 14.04 O ATOM 652 OD2 ASP A 39 16.016 -7.861 -19.959 1.00 33.34 O ATOM 0 H ASP A 39 14.318 -10.068 -18.486 1.00 55.45 H new ATOM 0 HA ASP A 39 17.057 -10.586 -17.892 1.00 42.31 H new ATOM 0 HB2 ASP A 39 15.167 -8.238 -17.653 1.00 75.33 H new ATOM 0 HB3 ASP A 39 16.757 -8.153 -16.922 1.00 75.33 H new ATOM 657 N PHE A 40 16.613 -11.604 -15.595 1.00 64.21 N ATOM 658 CA PHE A 40 16.637 -12.003 -14.193 1.00 34.42 C ATOM 659 C PHE A 40 17.919 -11.531 -13.514 1.00 31.01 C ATOM 660 O PHE A 40 17.960 -11.352 -12.297 1.00 11.32 O ATOM 661 CB PHE A 40 16.512 -13.524 -14.071 1.00 50.42 C ATOM 662 CG PHE A 40 17.765 -14.260 -14.450 1.00 2.14 C ATOM 663 CD1 PHE A 40 18.736 -14.536 -13.500 1.00 52.11 C ATOM 664 CD2 PHE A 40 17.972 -14.677 -15.755 1.00 4.44 C ATOM 665 CE1 PHE A 40 19.890 -15.213 -13.846 1.00 2.41 C ATOM 666 CE2 PHE A 40 19.125 -15.354 -16.106 1.00 73.24 C ATOM 667 CZ PHE A 40 20.084 -15.623 -15.150 1.00 63.33 C ATOM 0 H PHE A 40 17.004 -12.294 -16.236 1.00 64.21 H new ATOM 0 HA PHE A 40 15.789 -11.534 -13.694 1.00 34.42 H new ATOM 0 HB2 PHE A 40 16.247 -13.778 -13.045 1.00 50.42 H new ATOM 0 HB3 PHE A 40 15.694 -13.865 -14.705 1.00 50.42 H new ATOM 0 HD1 PHE A 40 18.589 -14.218 -12.478 1.00 52.11 H new ATOM 0 HD2 PHE A 40 17.224 -14.471 -16.506 1.00 4.44 H new ATOM 0 HE1 PHE A 40 20.640 -15.421 -13.097 1.00 2.41 H new ATOM 0 HE2 PHE A 40 19.275 -15.672 -17.127 1.00 73.24 H new ATOM 0 HZ PHE A 40 20.985 -16.153 -15.422 1.00 63.33 H new ATOM 677 N SER A 41 18.964 -11.332 -14.310 1.00 43.04 N ATOM 678 CA SER A 41 20.250 -10.885 -13.787 1.00 52.20 C ATOM 679 C SER A 41 20.181 -9.424 -13.353 1.00 10.15 C ATOM 680 O SER A 41 21.028 -8.949 -12.597 1.00 62.25 O ATOM 681 CB SER A 41 21.344 -11.064 -14.841 1.00 72.13 C ATOM 682 OG SER A 41 21.410 -9.941 -15.703 1.00 62.44 O ATOM 0 H SER A 41 18.946 -11.473 -15.320 1.00 43.04 H new ATOM 0 HA SER A 41 20.492 -11.494 -12.916 1.00 52.20 H new ATOM 0 HB2 SER A 41 22.307 -11.207 -14.350 1.00 72.13 H new ATOM 0 HB3 SER A 41 21.148 -11.963 -15.425 1.00 72.13 H new ATOM 0 HG SER A 41 22.118 -10.079 -16.366 1.00 62.44 H new ATOM 688 N ASN A 42 19.165 -8.717 -13.836 1.00 11.40 N ATOM 689 CA ASN A 42 18.984 -7.309 -13.499 1.00 24.32 C ATOM 690 C ASN A 42 18.309 -7.158 -12.139 1.00 41.11 C ATOM 691 O ASN A 42 18.508 -6.161 -11.444 1.00 21.44 O ATOM 692 CB ASN A 42 18.153 -6.608 -14.575 1.00 34.23 C ATOM 693 CG ASN A 42 18.974 -5.633 -15.396 1.00 15.21 C ATOM 694 OD1 ASN A 42 19.584 -4.710 -14.856 1.00 53.33 O ATOM 695 ND2 ASN A 42 18.992 -5.834 -16.708 1.00 53.45 N ATOM 0 H ASN A 42 18.454 -9.095 -14.462 1.00 11.40 H new ATOM 0 HA ASN A 42 19.968 -6.843 -13.450 1.00 24.32 H new ATOM 0 HB2 ASN A 42 17.714 -7.356 -15.236 1.00 34.23 H new ATOM 0 HB3 ASN A 42 17.327 -6.076 -14.103 1.00 34.23 H new ATOM 0 HD21 ASN A 42 19.527 -5.210 -17.312 1.00 53.45 H new ATOM 0 HD22 ASN A 42 18.471 -6.612 -17.112 1.00 53.45 H new ATOM 702 N ILE A 43 17.511 -8.153 -11.767 1.00 1.00 N ATOM 703 CA ILE A 43 16.808 -8.131 -10.490 1.00 61.23 C ATOM 704 C ILE A 43 17.768 -7.852 -9.339 1.00 22.32 C ATOM 705 O ILE A 43 17.605 -6.897 -8.579 1.00 32.51 O ATOM 706 CB ILE A 43 16.080 -9.462 -10.226 1.00 30.33 C ATOM 707 CG1 ILE A 43 14.674 -9.428 -10.828 1.00 60.14 C ATOM 708 CG2 ILE A 43 16.015 -9.743 -8.732 1.00 2.31 C ATOM 709 CD1 ILE A 43 13.765 -8.405 -10.184 1.00 42.33 C ATOM 0 H ILE A 43 17.335 -8.984 -12.331 1.00 1.00 H new ATOM 0 HA ILE A 43 16.072 -7.329 -10.548 1.00 61.23 H new ATOM 0 HB ILE A 43 16.640 -10.266 -10.704 1.00 30.33 H new ATOM 0 HG12 ILE A 43 14.749 -9.215 -11.894 1.00 60.14 H new ATOM 0 HG13 ILE A 43 14.222 -10.415 -10.731 1.00 60.14 H new ATOM 0 HG21 ILE A 43 15.498 -10.687 -8.562 1.00 2.31 H new ATOM 0 HG22 ILE A 43 17.026 -9.805 -8.329 1.00 2.31 H new ATOM 0 HG23 ILE A 43 15.475 -8.938 -8.234 1.00 2.31 H new ATOM 0 HD11 ILE A 43 12.785 -8.437 -10.661 1.00 42.33 H new ATOM 0 HD12 ILE A 43 13.659 -8.629 -9.123 1.00 42.33 H new ATOM 0 HD13 ILE A 43 14.194 -7.410 -10.304 1.00 42.33 H new ATOM 721 N PRO A 44 18.796 -8.704 -9.206 1.00 40.20 N ATOM 722 CA PRO A 44 19.805 -8.568 -8.151 1.00 72.51 C ATOM 723 C PRO A 44 20.708 -7.358 -8.364 1.00 74.21 C ATOM 724 O PRO A 44 21.423 -6.937 -7.455 1.00 43.42 O ATOM 725 CB PRO A 44 20.612 -9.864 -8.264 1.00 20.21 C ATOM 726 CG PRO A 44 20.437 -10.298 -9.678 1.00 54.23 C ATOM 727 CD PRO A 44 19.053 -9.864 -10.076 1.00 12.12 C ATOM 0 HA PRO A 44 19.352 -8.415 -7.171 1.00 72.51 H new ATOM 0 HB2 PRO A 44 21.663 -9.697 -8.028 1.00 20.21 H new ATOM 0 HB3 PRO A 44 20.246 -10.620 -7.570 1.00 20.21 H new ATOM 0 HG2 PRO A 44 21.189 -9.842 -10.322 1.00 54.23 H new ATOM 0 HG3 PRO A 44 20.549 -11.378 -9.771 1.00 54.23 H new ATOM 0 HD2 PRO A 44 19.004 -9.594 -11.131 1.00 12.12 H new ATOM 0 HD3 PRO A 44 18.322 -10.656 -9.916 1.00 12.12 H new ATOM 735 N LYS A 45 20.669 -6.802 -9.570 1.00 64.43 N ATOM 736 CA LYS A 45 21.482 -5.639 -9.903 1.00 45.23 C ATOM 737 C LYS A 45 20.837 -4.358 -9.385 1.00 10.40 C ATOM 738 O LYS A 45 21.525 -3.381 -9.089 1.00 12.41 O ATOM 739 CB LYS A 45 21.681 -5.546 -11.418 1.00 12.01 C ATOM 740 CG LYS A 45 23.074 -5.095 -11.822 1.00 73.45 C ATOM 741 CD LYS A 45 23.023 -3.896 -12.754 1.00 3.11 C ATOM 742 CE LYS A 45 24.321 -3.739 -13.532 1.00 31.42 C ATOM 743 NZ LYS A 45 25.238 -2.758 -12.889 1.00 21.12 N ATOM 0 H LYS A 45 20.082 -7.139 -10.334 1.00 64.43 H new ATOM 0 HA LYS A 45 22.453 -5.756 -9.422 1.00 45.23 H new ATOM 0 HB2 LYS A 45 21.481 -6.521 -11.863 1.00 12.01 H new ATOM 0 HB3 LYS A 45 20.949 -4.851 -11.830 1.00 12.01 H new ATOM 0 HG2 LYS A 45 23.648 -4.840 -10.931 1.00 73.45 H new ATOM 0 HG3 LYS A 45 23.596 -5.917 -12.313 1.00 73.45 H new ATOM 0 HD2 LYS A 45 22.192 -4.010 -13.450 1.00 3.11 H new ATOM 0 HD3 LYS A 45 22.833 -2.992 -12.176 1.00 3.11 H new ATOM 0 HE2 LYS A 45 24.819 -4.706 -13.607 1.00 31.42 H new ATOM 0 HE3 LYS A 45 24.098 -3.415 -14.549 1.00 31.42 H new ATOM 0 HZ1 LYS A 45 26.111 -2.680 -13.449 1.00 21.12 H new ATOM 0 HZ2 LYS A 45 24.773 -1.829 -12.840 1.00 21.12 H new ATOM 0 HZ3 LYS A 45 25.471 -3.079 -11.928 1.00 21.12 H new ATOM 757 N SER A 46 19.512 -4.370 -9.277 1.00 3.34 N ATOM 758 CA SER A 46 18.774 -3.208 -8.796 1.00 1.41 C ATOM 759 C SER A 46 18.951 -3.036 -7.290 1.00 61.13 C ATOM 760 O SER A 46 19.311 -1.960 -6.815 1.00 45.43 O ATOM 761 CB SER A 46 17.288 -3.345 -9.134 1.00 23.33 C ATOM 762 OG SER A 46 17.067 -4.419 -10.032 1.00 51.31 O ATOM 0 H SER A 46 18.928 -5.171 -9.516 1.00 3.34 H new ATOM 0 HA SER A 46 19.173 -2.324 -9.294 1.00 1.41 H new ATOM 0 HB2 SER A 46 16.717 -3.508 -8.220 1.00 23.33 H new ATOM 0 HB3 SER A 46 16.925 -2.417 -9.575 1.00 23.33 H new ATOM 0 HG SER A 46 17.084 -5.266 -9.539 1.00 51.31 H new ATOM 768 N ALA A 47 18.695 -4.106 -6.545 1.00 72.31 N ATOM 769 CA ALA A 47 18.827 -4.076 -5.094 1.00 23.12 C ATOM 770 C ALA A 47 20.258 -3.747 -4.680 1.00 33.41 C ATOM 771 O ALA A 47 20.491 -3.204 -3.601 1.00 64.00 O ATOM 772 CB ALA A 47 18.396 -5.407 -4.497 1.00 33.33 C ATOM 0 H ALA A 47 18.395 -5.005 -6.923 1.00 72.31 H new ATOM 0 HA ALA A 47 18.175 -3.291 -4.711 1.00 23.12 H new ATOM 0 HB1 ALA A 47 18.500 -5.370 -3.413 1.00 33.33 H new ATOM 0 HB2 ALA A 47 17.355 -5.602 -4.755 1.00 33.33 H new ATOM 0 HB3 ALA A 47 19.024 -6.204 -4.895 1.00 33.33 H new ATOM 778 N GLU A 48 21.211 -4.081 -5.545 1.00 33.55 N ATOM 779 CA GLU A 48 22.619 -3.822 -5.266 1.00 75.54 C ATOM 780 C GLU A 48 22.948 -2.345 -5.457 1.00 12.43 C ATOM 781 O GLU A 48 23.876 -1.820 -4.842 1.00 4.22 O ATOM 782 CB GLU A 48 23.506 -4.675 -6.175 1.00 62.22 C ATOM 783 CG GLU A 48 24.959 -4.725 -5.734 1.00 23.10 C ATOM 784 CD GLU A 48 25.870 -3.913 -6.634 1.00 4.13 C ATOM 785 OE1 GLU A 48 25.491 -2.778 -6.992 1.00 60.22 O ATOM 786 OE2 GLU A 48 26.962 -4.411 -6.979 1.00 72.33 O ATOM 0 H GLU A 48 21.034 -4.531 -6.443 1.00 33.55 H new ATOM 0 HA GLU A 48 22.813 -4.088 -4.227 1.00 75.54 H new ATOM 0 HB2 GLU A 48 23.110 -5.690 -6.207 1.00 62.22 H new ATOM 0 HB3 GLU A 48 23.456 -4.281 -7.190 1.00 62.22 H new ATOM 0 HG2 GLU A 48 25.038 -4.353 -4.713 1.00 23.10 H new ATOM 0 HG3 GLU A 48 25.296 -5.762 -5.722 1.00 23.10 H new ATOM 793 N PHE A 49 22.180 -1.679 -6.313 1.00 62.14 N ATOM 794 CA PHE A 49 22.390 -0.262 -6.587 1.00 24.31 C ATOM 795 C PHE A 49 22.261 0.563 -5.310 1.00 52.22 C ATOM 796 O PHE A 49 22.827 1.651 -5.202 1.00 12.40 O ATOM 797 CB PHE A 49 21.387 0.232 -7.631 1.00 71.31 C ATOM 798 CG PHE A 49 22.020 1.005 -8.752 1.00 62.13 C ATOM 799 CD1 PHE A 49 22.371 2.334 -8.583 1.00 4.54 C ATOM 800 CD2 PHE A 49 22.265 0.402 -9.976 1.00 13.14 C ATOM 801 CE1 PHE A 49 22.953 3.048 -9.613 1.00 45.30 C ATOM 802 CE2 PHE A 49 22.847 1.111 -11.010 1.00 30.13 C ATOM 803 CZ PHE A 49 23.193 2.436 -10.828 1.00 33.54 C ATOM 0 H PHE A 49 21.406 -2.098 -6.829 1.00 62.14 H new ATOM 0 HA PHE A 49 23.400 -0.139 -6.978 1.00 24.31 H new ATOM 0 HB2 PHE A 49 20.855 -0.624 -8.046 1.00 71.31 H new ATOM 0 HB3 PHE A 49 20.644 0.861 -7.140 1.00 71.31 H new ATOM 0 HD1 PHE A 49 22.188 2.818 -7.635 1.00 4.54 H new ATOM 0 HD2 PHE A 49 21.998 -0.634 -10.123 1.00 13.14 H new ATOM 0 HE1 PHE A 49 23.220 4.084 -9.468 1.00 45.30 H new ATOM 0 HE2 PHE A 49 23.031 0.630 -11.959 1.00 30.13 H new ATOM 0 HZ PHE A 49 23.650 2.992 -11.633 1.00 33.54 H new ATOM 813 N ILE A 50 21.512 0.038 -4.347 1.00 35.12 N ATOM 814 CA ILE A 50 21.308 0.725 -3.078 1.00 13.24 C ATOM 815 C ILE A 50 22.540 0.611 -2.186 1.00 72.34 C ATOM 816 O ILE A 50 23.256 1.588 -1.973 1.00 41.45 O ATOM 817 CB ILE A 50 20.088 0.164 -2.323 1.00 21.10 C ATOM 818 CG1 ILE A 50 18.840 0.230 -3.206 1.00 22.42 C ATOM 819 CG2 ILE A 50 19.868 0.931 -1.027 1.00 61.44 C ATOM 820 CD1 ILE A 50 18.410 1.641 -3.540 1.00 63.24 C ATOM 0 H ILE A 50 21.036 -0.861 -4.421 1.00 35.12 H new ATOM 0 HA ILE A 50 21.129 1.774 -3.313 1.00 13.24 H new ATOM 0 HB ILE A 50 20.281 -0.880 -2.076 1.00 21.10 H new ATOM 0 HG12 ILE A 50 19.031 -0.312 -4.132 1.00 22.42 H new ATOM 0 HG13 ILE A 50 18.020 -0.281 -2.701 1.00 22.42 H new ATOM 0 HG21 ILE A 50 19.003 0.523 -0.505 1.00 61.44 H new ATOM 0 HG22 ILE A 50 20.751 0.837 -0.394 1.00 61.44 H new ATOM 0 HG23 ILE A 50 19.693 1.983 -1.252 1.00 61.44 H new ATOM 0 HD11 ILE A 50 17.520 1.611 -4.168 1.00 63.24 H new ATOM 0 HD12 ILE A 50 18.187 2.181 -2.620 1.00 63.24 H new ATOM 0 HD13 ILE A 50 19.213 2.150 -4.073 1.00 63.24 H new ATOM 832 N GLN A 51 22.780 -0.590 -1.670 1.00 63.21 N ATOM 833 CA GLN A 51 23.927 -0.832 -0.803 1.00 30.44 C ATOM 834 C GLN A 51 24.529 -2.208 -1.068 1.00 30.54 C ATOM 835 O GLN A 51 23.818 -3.213 -1.093 1.00 63.22 O ATOM 836 CB GLN A 51 23.516 -0.717 0.666 1.00 14.01 C ATOM 837 CG GLN A 51 24.683 -0.469 1.607 1.00 2.04 C ATOM 838 CD GLN A 51 25.328 0.886 1.393 1.00 14.54 C ATOM 839 OE1 GLN A 51 24.660 1.920 1.447 1.00 74.43 O ATOM 840 NE2 GLN A 51 26.633 0.890 1.150 1.00 71.12 N ATOM 0 H GLN A 51 22.196 -1.410 -1.837 1.00 63.21 H new ATOM 0 HA GLN A 51 24.682 -0.077 -1.022 1.00 30.44 H new ATOM 0 HB2 GLN A 51 22.797 0.095 0.771 1.00 14.01 H new ATOM 0 HB3 GLN A 51 23.007 -1.634 0.965 1.00 14.01 H new ATOM 0 HG2 GLN A 51 24.336 -0.543 2.638 1.00 2.04 H new ATOM 0 HG3 GLN A 51 25.431 -1.249 1.466 1.00 2.04 H new ATOM 0 HE21 GLN A 51 27.148 0.010 1.114 1.00 71.12 H new ATOM 0 HE22 GLN A 51 27.121 1.773 0.999 1.00 71.12 H new ATOM 849 N SER A 52 25.843 -2.246 -1.265 1.00 31.12 N ATOM 850 CA SER A 52 26.540 -3.499 -1.532 1.00 41.42 C ATOM 851 C SER A 52 26.193 -4.549 -0.481 1.00 41.33 C ATOM 852 O SER A 52 26.160 -5.745 -0.769 1.00 30.40 O ATOM 853 CB SER A 52 28.052 -3.269 -1.560 1.00 65.12 C ATOM 854 OG SER A 52 28.496 -2.648 -0.366 1.00 63.51 O ATOM 0 H SER A 52 26.446 -1.424 -1.245 1.00 31.12 H new ATOM 0 HA SER A 52 26.217 -3.866 -2.506 1.00 41.42 H new ATOM 0 HB2 SER A 52 28.565 -4.222 -1.691 1.00 65.12 H new ATOM 0 HB3 SER A 52 28.312 -2.646 -2.416 1.00 65.12 H new ATOM 0 HG SER A 52 29.466 -2.514 -0.408 1.00 63.51 H new ATOM 860 N LYS A 53 25.935 -4.092 0.739 1.00 13.14 N ATOM 861 CA LYS A 53 25.589 -4.989 1.835 1.00 34.23 C ATOM 862 C LYS A 53 24.308 -4.534 2.528 1.00 42.41 C ATOM 863 O LYS A 53 24.266 -3.465 3.136 1.00 44.23 O ATOM 864 CB LYS A 53 26.733 -5.055 2.849 1.00 65.23 C ATOM 865 CG LYS A 53 27.689 -6.212 2.613 1.00 71.14 C ATOM 866 CD LYS A 53 29.138 -5.758 2.666 1.00 20.40 C ATOM 867 CE LYS A 53 29.720 -5.915 4.062 1.00 21.44 C ATOM 868 NZ LYS A 53 30.707 -7.028 4.130 1.00 63.30 N ATOM 0 H LYS A 53 25.959 -3.105 0.994 1.00 13.14 H new ATOM 0 HA LYS A 53 25.423 -5.982 1.418 1.00 34.23 H new ATOM 0 HB2 LYS A 53 27.292 -4.120 2.815 1.00 65.23 H new ATOM 0 HB3 LYS A 53 26.314 -5.139 3.852 1.00 65.23 H new ATOM 0 HG2 LYS A 53 27.521 -6.983 3.365 1.00 71.14 H new ATOM 0 HG3 LYS A 53 27.483 -6.663 1.642 1.00 71.14 H new ATOM 0 HD2 LYS A 53 29.728 -6.338 1.957 1.00 20.40 H new ATOM 0 HD3 LYS A 53 29.205 -4.715 2.358 1.00 20.40 H new ATOM 0 HE2 LYS A 53 30.201 -4.984 4.361 1.00 21.44 H new ATOM 0 HE3 LYS A 53 28.914 -6.100 4.773 1.00 21.44 H new ATOM 0 HZ1 LYS A 53 31.080 -7.102 5.098 1.00 63.30 H new ATOM 0 HZ2 LYS A 53 30.242 -7.921 3.869 1.00 63.30 H new ATOM 0 HZ3 LYS A 53 31.489 -6.839 3.471 1.00 63.30 H new ATOM 882 N GLY A 54 23.265 -5.353 2.433 1.00 43.13 N ATOM 883 CA GLY A 54 21.999 -5.017 3.056 1.00 14.21 C ATOM 884 C GLY A 54 20.815 -5.624 2.329 1.00 24.30 C ATOM 885 O GLY A 54 19.905 -6.167 2.955 1.00 35.23 O ATOM 0 H GLY A 54 23.275 -6.243 1.935 1.00 43.13 H new ATOM 0 HA2 GLY A 54 22.003 -5.363 4.090 1.00 14.21 H new ATOM 0 HA3 GLY A 54 21.888 -3.933 3.083 1.00 14.21 H new ATOM 889 N HIS A 55 20.827 -5.532 1.003 1.00 74.10 N ATOM 890 CA HIS A 55 19.745 -6.076 0.190 1.00 61.54 C ATOM 891 C HIS A 55 19.806 -7.601 0.154 1.00 2.41 C ATOM 892 O HIS A 55 20.778 -8.180 -0.330 1.00 75.31 O ATOM 893 CB HIS A 55 19.817 -5.518 -1.232 1.00 21.30 C ATOM 894 CG HIS A 55 21.037 -5.952 -1.985 1.00 30.32 C ATOM 895 ND1 HIS A 55 22.297 -5.457 -1.725 1.00 43.23 N ATOM 896 CD2 HIS A 55 21.185 -6.842 -2.994 1.00 34.43 C ATOM 897 CE1 HIS A 55 23.167 -6.022 -2.543 1.00 62.02 C ATOM 898 NE2 HIS A 55 22.518 -6.867 -3.323 1.00 35.30 N ATOM 0 H HIS A 55 21.573 -5.086 0.469 1.00 74.10 H new ATOM 0 HA HIS A 55 18.799 -5.778 0.642 1.00 61.54 H new ATOM 0 HB2 HIS A 55 18.930 -5.832 -1.782 1.00 21.30 H new ATOM 0 HB3 HIS A 55 19.796 -4.429 -1.188 1.00 21.30 H new ATOM 0 HD1 HIS A 55 22.522 -4.763 -1.012 1.00 43.23 H new ATOM 0 HD2 HIS A 55 20.401 -7.424 -3.455 1.00 34.43 H new ATOM 0 HE1 HIS A 55 24.229 -5.826 -2.569 1.00 62.02 H new ATOM 906 N GLU A 56 18.763 -8.242 0.671 1.00 72.22 N ATOM 907 CA GLU A 56 18.700 -9.699 0.699 1.00 1.20 C ATOM 908 C GLU A 56 17.349 -10.195 0.192 1.00 61.03 C ATOM 909 O GLU A 56 16.303 -9.865 0.752 1.00 2.13 O ATOM 910 CB GLU A 56 18.945 -10.215 2.119 1.00 50.44 C ATOM 911 CG GLU A 56 19.940 -11.361 2.186 1.00 11.05 C ATOM 912 CD GLU A 56 19.264 -12.714 2.291 1.00 61.43 C ATOM 913 OE1 GLU A 56 18.255 -12.818 3.019 1.00 73.31 O ATOM 914 OE2 GLU A 56 19.744 -13.669 1.645 1.00 62.20 O ATOM 0 H GLU A 56 17.951 -7.776 1.076 1.00 72.22 H new ATOM 0 HA GLU A 56 19.479 -10.084 0.041 1.00 1.20 H new ATOM 0 HB2 GLU A 56 19.307 -9.394 2.738 1.00 50.44 H new ATOM 0 HB3 GLU A 56 17.997 -10.542 2.546 1.00 50.44 H new ATOM 0 HG2 GLU A 56 20.571 -11.342 1.297 1.00 11.05 H new ATOM 0 HG3 GLU A 56 20.595 -11.219 3.045 1.00 11.05 H new ATOM 921 N LEU A 57 17.379 -10.989 -0.873 1.00 22.34 N ATOM 922 CA LEU A 57 16.158 -11.532 -1.457 1.00 54.32 C ATOM 923 C LEU A 57 15.652 -12.725 -0.653 1.00 23.21 C ATOM 924 O LEU A 57 16.177 -13.833 -0.770 1.00 24.34 O ATOM 925 CB LEU A 57 16.404 -11.948 -2.908 1.00 44.24 C ATOM 926 CG LEU A 57 16.768 -10.822 -3.877 1.00 0.11 C ATOM 927 CD1 LEU A 57 15.847 -9.628 -3.678 1.00 73.41 C ATOM 928 CD2 LEU A 57 18.222 -10.411 -3.696 1.00 22.52 C ATOM 0 H LEU A 57 18.236 -11.271 -1.349 1.00 22.34 H new ATOM 0 HA LEU A 57 15.396 -10.753 -1.433 1.00 54.32 H new ATOM 0 HB2 LEU A 57 17.206 -12.686 -2.922 1.00 44.24 H new ATOM 0 HB3 LEU A 57 15.508 -12.444 -3.280 1.00 44.24 H new ATOM 0 HG LEU A 57 16.639 -11.190 -4.895 1.00 0.11 H new ATOM 0 HD11 LEU A 57 16.121 -8.837 -4.376 1.00 73.41 H new ATOM 0 HD12 LEU A 57 14.815 -9.930 -3.859 1.00 73.41 H new ATOM 0 HD13 LEU A 57 15.944 -9.260 -2.656 1.00 73.41 H new ATOM 0 HD21 LEU A 57 18.463 -9.609 -4.394 1.00 22.52 H new ATOM 0 HD22 LEU A 57 18.377 -10.063 -2.675 1.00 22.52 H new ATOM 0 HD23 LEU A 57 18.869 -11.267 -3.890 1.00 22.52 H new ATOM 940 N LEU A 58 14.629 -12.492 0.162 1.00 61.44 N ATOM 941 CA LEU A 58 14.050 -13.549 0.984 1.00 3.03 C ATOM 942 C LEU A 58 13.658 -14.751 0.131 1.00 43.34 C ATOM 943 O LEU A 58 13.921 -15.896 0.496 1.00 41.25 O ATOM 944 CB LEU A 58 12.827 -13.023 1.738 1.00 61.53 C ATOM 945 CG LEU A 58 12.945 -12.981 3.262 1.00 51.43 C ATOM 946 CD1 LEU A 58 12.691 -11.572 3.777 1.00 23.52 C ATOM 947 CD2 LEU A 58 11.977 -13.966 3.899 1.00 31.44 C ATOM 0 H LEU A 58 14.184 -11.581 0.271 1.00 61.44 H new ATOM 0 HA LEU A 58 14.803 -13.869 1.704 1.00 3.03 H new ATOM 0 HB2 LEU A 58 12.612 -12.015 1.382 1.00 61.53 H new ATOM 0 HB3 LEU A 58 11.970 -13.643 1.477 1.00 61.53 H new ATOM 0 HG LEU A 58 13.959 -13.270 3.538 1.00 51.43 H new ATOM 0 HD11 LEU A 58 12.779 -11.560 4.863 1.00 23.52 H new ATOM 0 HD12 LEU A 58 13.424 -10.890 3.346 1.00 23.52 H new ATOM 0 HD13 LEU A 58 11.688 -11.255 3.491 1.00 23.52 H new ATOM 0 HD21 LEU A 58 12.075 -13.922 4.984 1.00 31.44 H new ATOM 0 HD22 LEU A 58 10.957 -13.708 3.616 1.00 31.44 H new ATOM 0 HD23 LEU A 58 12.205 -14.975 3.554 1.00 31.44 H new ATOM 959 N ASN A 59 13.030 -14.481 -1.009 1.00 12.20 N ATOM 960 CA ASN A 59 12.603 -15.540 -1.916 1.00 21.21 C ATOM 961 C ASN A 59 13.254 -15.378 -3.286 1.00 61.22 C ATOM 962 O ASN A 59 12.973 -14.423 -4.010 1.00 14.35 O ATOM 963 CB ASN A 59 11.080 -15.535 -2.059 1.00 13.12 C ATOM 964 CG ASN A 59 10.534 -16.887 -2.477 1.00 14.44 C ATOM 965 OD1 ASN A 59 10.543 -17.840 -1.698 1.00 22.02 O ATOM 966 ND2 ASN A 59 10.054 -16.975 -3.712 1.00 11.43 N ATOM 0 H ASN A 59 12.806 -13.538 -1.326 1.00 12.20 H new ATOM 0 HA ASN A 59 12.918 -16.494 -1.494 1.00 21.21 H new ATOM 0 HB2 ASN A 59 10.630 -15.242 -1.111 1.00 13.12 H new ATOM 0 HB3 ASN A 59 10.789 -14.785 -2.795 1.00 13.12 H new ATOM 0 HD21 ASN A 59 9.672 -17.859 -4.049 1.00 11.43 H new ATOM 0 HD22 ASN A 59 10.067 -16.159 -4.323 1.00 11.43 H new ATOM 973 N SER A 60 14.125 -16.319 -3.636 1.00 44.13 N ATOM 974 CA SER A 60 14.819 -16.279 -4.918 1.00 61.33 C ATOM 975 C SER A 60 13.829 -16.112 -6.067 1.00 11.41 C ATOM 976 O SER A 60 12.922 -16.926 -6.244 1.00 14.42 O ATOM 977 CB SER A 60 15.638 -17.556 -5.119 1.00 4.35 C ATOM 978 OG SER A 60 15.569 -18.001 -6.462 1.00 42.42 O ATOM 0 H SER A 60 14.367 -17.118 -3.050 1.00 44.13 H new ATOM 0 HA SER A 60 15.491 -15.421 -4.912 1.00 61.33 H new ATOM 0 HB2 SER A 60 16.677 -17.372 -4.847 1.00 4.35 H new ATOM 0 HB3 SER A 60 15.268 -18.337 -4.455 1.00 4.35 H new ATOM 0 HG SER A 60 16.102 -18.817 -6.564 1.00 42.42 H new ATOM 984 N LEU A 61 14.010 -15.050 -6.845 1.00 73.31 N ATOM 985 CA LEU A 61 13.133 -14.774 -7.978 1.00 0.12 C ATOM 986 C LEU A 61 13.020 -15.992 -8.889 1.00 20.01 C ATOM 987 O LEU A 61 14.027 -16.582 -9.280 1.00 20.50 O ATOM 988 CB LEU A 61 13.656 -13.576 -8.772 1.00 53.50 C ATOM 989 CG LEU A 61 15.094 -13.683 -9.280 1.00 52.14 C ATOM 990 CD1 LEU A 61 15.212 -13.090 -10.676 1.00 23.21 C ATOM 991 CD2 LEU A 61 16.051 -12.990 -8.322 1.00 24.43 C ATOM 0 H LEU A 61 14.755 -14.367 -6.712 1.00 73.31 H new ATOM 0 HA LEU A 61 12.141 -14.541 -7.590 1.00 0.12 H new ATOM 0 HB2 LEU A 61 13.000 -13.419 -9.628 1.00 53.50 H new ATOM 0 HB3 LEU A 61 13.579 -12.688 -8.144 1.00 53.50 H new ATOM 0 HG LEU A 61 15.364 -14.738 -9.331 1.00 52.14 H new ATOM 0 HD11 LEU A 61 16.242 -13.175 -11.021 1.00 23.21 H new ATOM 0 HD12 LEU A 61 14.555 -13.630 -11.358 1.00 23.21 H new ATOM 0 HD13 LEU A 61 14.923 -12.039 -10.651 1.00 23.21 H new ATOM 0 HD21 LEU A 61 17.070 -13.076 -8.700 1.00 24.43 H new ATOM 0 HD22 LEU A 61 15.783 -11.937 -8.238 1.00 24.43 H new ATOM 0 HD23 LEU A 61 15.987 -13.460 -7.340 1.00 24.43 H new ATOM 1003 N ARG A 62 11.788 -16.361 -9.225 1.00 22.24 N ATOM 1004 CA ARG A 62 11.544 -17.508 -10.091 1.00 33.24 C ATOM 1005 C ARG A 62 11.426 -17.073 -11.549 1.00 25.44 C ATOM 1006 O ARG A 62 10.365 -17.196 -12.160 1.00 61.15 O ATOM 1007 CB ARG A 62 10.269 -18.237 -9.660 1.00 41.54 C ATOM 1008 CG ARG A 62 10.279 -19.722 -9.980 1.00 61.45 C ATOM 1009 CD ARG A 62 10.437 -20.562 -8.723 1.00 35.24 C ATOM 1010 NE ARG A 62 9.918 -21.916 -8.900 1.00 14.24 N ATOM 1011 CZ ARG A 62 10.548 -22.860 -9.589 1.00 21.21 C ATOM 1012 NH1 ARG A 62 11.715 -22.600 -10.162 1.00 51.13 N ATOM 1013 NH2 ARG A 62 10.012 -24.068 -9.705 1.00 72.31 N ATOM 0 H ARG A 62 10.944 -15.882 -8.911 1.00 22.24 H new ATOM 0 HA ARG A 62 12.391 -18.187 -10.000 1.00 33.24 H new ATOM 0 HB2 ARG A 62 10.131 -18.106 -8.587 1.00 41.54 H new ATOM 0 HB3 ARG A 62 9.413 -17.774 -10.150 1.00 41.54 H new ATOM 0 HG2 ARG A 62 9.352 -19.993 -10.485 1.00 61.45 H new ATOM 0 HG3 ARG A 62 11.094 -19.941 -10.670 1.00 61.45 H new ATOM 0 HD2 ARG A 62 11.491 -20.611 -8.450 1.00 35.24 H new ATOM 0 HD3 ARG A 62 9.916 -20.079 -7.897 1.00 35.24 H new ATOM 0 HE ARG A 62 9.023 -22.149 -8.471 1.00 14.24 H new ATOM 0 HH11 ARG A 62 12.131 -21.673 -10.074 1.00 51.13 H new ATOM 0 HH12 ARG A 62 12.197 -23.327 -10.691 1.00 51.13 H new ATOM 0 HH21 ARG A 62 9.115 -24.272 -9.265 1.00 72.31 H new ATOM 0 HH22 ARG A 62 10.497 -24.792 -10.235 1.00 72.31 H new ATOM 1027 N PHE A 63 12.524 -16.565 -12.099 1.00 12.40 N ATOM 1028 CA PHE A 63 12.544 -16.110 -13.484 1.00 71.04 C ATOM 1029 C PHE A 63 12.287 -17.270 -14.441 1.00 72.44 C ATOM 1030 O PHE A 63 11.848 -17.070 -15.573 1.00 13.02 O ATOM 1031 CB PHE A 63 13.888 -15.455 -13.809 1.00 10.31 C ATOM 1032 CG PHE A 63 15.009 -16.439 -13.979 1.00 25.44 C ATOM 1033 CD1 PHE A 63 15.592 -17.042 -12.876 1.00 24.24 C ATOM 1034 CD2 PHE A 63 15.480 -16.762 -15.241 1.00 23.51 C ATOM 1035 CE1 PHE A 63 16.625 -17.948 -13.029 1.00 0.10 C ATOM 1036 CE2 PHE A 63 16.512 -17.668 -15.401 1.00 5.14 C ATOM 1037 CZ PHE A 63 17.085 -18.262 -14.293 1.00 32.10 C ATOM 0 H PHE A 63 13.411 -16.458 -11.607 1.00 12.40 H new ATOM 0 HA PHE A 63 11.749 -15.375 -13.610 1.00 71.04 H new ATOM 0 HB2 PHE A 63 13.787 -14.871 -14.723 1.00 10.31 H new ATOM 0 HB3 PHE A 63 14.145 -14.758 -13.012 1.00 10.31 H new ATOM 0 HD1 PHE A 63 15.235 -16.801 -11.885 1.00 24.24 H new ATOM 0 HD2 PHE A 63 15.036 -16.301 -16.110 1.00 23.51 H new ATOM 0 HE1 PHE A 63 17.072 -18.410 -12.161 1.00 0.10 H new ATOM 0 HE2 PHE A 63 16.870 -17.911 -16.391 1.00 5.14 H new ATOM 0 HZ PHE A 63 17.891 -18.970 -14.415 1.00 32.10 H new ATOM 1047 N ASN A 64 12.565 -18.485 -13.978 1.00 12.43 N ATOM 1048 CA ASN A 64 12.365 -19.678 -14.792 1.00 1.10 C ATOM 1049 C ASN A 64 10.936 -19.742 -15.323 1.00 1.45 C ATOM 1050 O ASN A 64 10.678 -20.337 -16.368 1.00 45.34 O ATOM 1051 CB ASN A 64 12.675 -20.935 -13.976 1.00 52.15 C ATOM 1052 CG ASN A 64 14.161 -21.227 -13.906 1.00 42.22 C ATOM 1053 OD1 ASN A 64 14.953 -20.657 -14.657 1.00 62.32 O ATOM 1054 ND2 ASN A 64 14.547 -22.119 -13.001 1.00 13.31 N ATOM 0 H ASN A 64 12.929 -18.669 -13.043 1.00 12.43 H new ATOM 0 HA ASN A 64 13.047 -19.627 -15.641 1.00 1.10 H new ATOM 0 HB2 ASN A 64 12.283 -20.815 -12.966 1.00 52.15 H new ATOM 0 HB3 ASN A 64 12.160 -21.788 -14.418 1.00 52.15 H new ATOM 0 HD21 ASN A 64 15.535 -22.356 -12.908 1.00 13.31 H new ATOM 0 HD22 ASN A 64 13.856 -22.567 -12.399 1.00 13.31 H new ATOM 1061 N GLN A 65 10.012 -19.124 -14.594 1.00 1.22 N ATOM 1062 CA GLN A 65 8.609 -19.111 -14.991 1.00 43.43 C ATOM 1063 C GLN A 65 8.200 -17.732 -15.498 1.00 11.52 C ATOM 1064 O GLN A 65 9.046 -16.867 -15.725 1.00 14.24 O ATOM 1065 CB GLN A 65 7.720 -19.520 -13.816 1.00 3.34 C ATOM 1066 CG GLN A 65 6.788 -20.678 -14.132 1.00 55.42 C ATOM 1067 CD GLN A 65 7.294 -22.000 -13.591 1.00 42.11 C ATOM 1068 OE1 GLN A 65 7.850 -22.814 -14.329 1.00 74.13 O ATOM 1069 NE2 GLN A 65 7.105 -22.221 -12.295 1.00 64.04 N ATOM 0 H GLN A 65 10.210 -18.626 -13.726 1.00 1.22 H new ATOM 0 HA GLN A 65 8.480 -19.829 -15.801 1.00 43.43 H new ATOM 0 HB2 GLN A 65 8.352 -19.793 -12.971 1.00 3.34 H new ATOM 0 HB3 GLN A 65 7.126 -18.661 -13.505 1.00 3.34 H new ATOM 0 HG2 GLN A 65 5.803 -20.471 -13.713 1.00 55.42 H new ATOM 0 HG3 GLN A 65 6.665 -20.755 -15.212 1.00 55.42 H new ATOM 0 HE21 GLN A 65 6.639 -21.519 -11.720 1.00 64.04 H new ATOM 0 HE22 GLN A 65 7.426 -23.093 -11.874 1.00 64.04 H new ATOM 1078 N ALA A 66 6.898 -17.534 -15.673 1.00 54.35 N ATOM 1079 CA ALA A 66 6.376 -16.259 -16.152 1.00 21.33 C ATOM 1080 C ALA A 66 6.653 -15.143 -15.151 1.00 11.42 C ATOM 1081 O ALA A 66 7.425 -15.318 -14.208 1.00 32.41 O ATOM 1082 CB ALA A 66 4.883 -16.369 -16.424 1.00 2.41 C ATOM 0 H ALA A 66 6.185 -18.240 -15.490 1.00 54.35 H new ATOM 0 HA ALA A 66 6.886 -16.011 -17.083 1.00 21.33 H new ATOM 0 HB1 ALA A 66 4.507 -15.410 -16.781 1.00 2.41 H new ATOM 0 HB2 ALA A 66 4.706 -17.133 -17.181 1.00 2.41 H new ATOM 0 HB3 ALA A 66 4.365 -16.643 -15.505 1.00 2.41 H new ATOM 1088 N ASP A 67 6.019 -13.994 -15.362 1.00 61.54 N ATOM 1089 CA ASP A 67 6.197 -12.849 -14.478 1.00 41.41 C ATOM 1090 C ASP A 67 6.101 -13.271 -13.015 1.00 62.04 C ATOM 1091 O ASP A 67 5.035 -13.661 -12.541 1.00 34.24 O ATOM 1092 CB ASP A 67 5.150 -11.776 -14.782 1.00 2.34 C ATOM 1093 CG ASP A 67 3.735 -12.262 -14.537 1.00 42.14 C ATOM 1094 OD1 ASP A 67 3.146 -12.861 -15.461 1.00 43.12 O ATOM 1095 OD2 ASP A 67 3.216 -12.043 -13.423 1.00 2.25 O ATOM 0 H ASP A 67 5.377 -13.832 -16.138 1.00 61.54 H new ATOM 0 HA ASP A 67 7.191 -12.437 -14.654 1.00 41.41 H new ATOM 0 HB2 ASP A 67 5.342 -10.899 -14.163 1.00 2.34 H new ATOM 0 HB3 ASP A 67 5.248 -11.461 -15.821 1.00 2.34 H new ATOM 1100 N TRP A 68 7.222 -13.191 -12.308 1.00 21.34 N ATOM 1101 CA TRP A 68 7.264 -13.567 -10.899 1.00 4.43 C ATOM 1102 C TRP A 68 7.457 -12.340 -10.014 1.00 44.22 C ATOM 1103 O TRP A 68 7.504 -11.210 -10.503 1.00 33.25 O ATOM 1104 CB TRP A 68 8.391 -14.572 -10.651 1.00 54.51 C ATOM 1105 CG TRP A 68 8.011 -15.667 -9.701 1.00 1.31 C ATOM 1106 CD1 TRP A 68 8.502 -15.866 -8.442 1.00 61.32 C ATOM 1107 CD2 TRP A 68 7.062 -16.713 -9.934 1.00 63.22 C ATOM 1108 NE1 TRP A 68 7.916 -16.974 -7.879 1.00 54.00 N ATOM 1109 CE2 TRP A 68 7.028 -17.511 -8.774 1.00 0.23 C ATOM 1110 CE3 TRP A 68 6.237 -17.053 -11.009 1.00 51.14 C ATOM 1111 CZ2 TRP A 68 6.202 -18.626 -8.661 1.00 51.13 C ATOM 1112 CZ3 TRP A 68 5.418 -18.160 -10.896 1.00 72.05 C ATOM 1113 CH2 TRP A 68 5.404 -18.935 -9.729 1.00 64.44 C ATOM 0 H TRP A 68 8.113 -12.870 -12.686 1.00 21.34 H new ATOM 0 HA TRP A 68 6.311 -14.030 -10.644 1.00 4.43 H new ATOM 0 HB2 TRP A 68 8.691 -15.013 -11.602 1.00 54.51 H new ATOM 0 HB3 TRP A 68 9.259 -14.044 -10.257 1.00 54.51 H new ATOM 0 HD1 TRP A 68 9.242 -15.244 -7.960 1.00 61.32 H new ATOM 0 HE1 TRP A 68 8.110 -17.338 -6.946 1.00 54.00 H new ATOM 0 HE3 TRP A 68 6.239 -16.461 -11.912 1.00 51.14 H new ATOM 0 HZ2 TRP A 68 6.191 -19.226 -7.763 1.00 51.13 H new ATOM 0 HZ3 TRP A 68 4.777 -18.433 -11.722 1.00 72.05 H new ATOM 0 HH2 TRP A 68 4.751 -19.793 -9.671 1.00 64.44 H new ATOM 1124 N THR A 69 7.570 -12.568 -8.709 1.00 60.02 N ATOM 1125 CA THR A 69 7.757 -11.481 -7.757 1.00 22.14 C ATOM 1126 C THR A 69 8.983 -11.721 -6.882 1.00 52.05 C ATOM 1127 O THR A 69 9.234 -12.844 -6.444 1.00 14.01 O ATOM 1128 CB THR A 69 6.522 -11.307 -6.853 1.00 21.32 C ATOM 1129 OG1 THR A 69 6.626 -12.165 -5.711 1.00 4.45 O ATOM 1130 CG2 THR A 69 5.244 -11.624 -7.616 1.00 5.45 C ATOM 0 H THR A 69 7.535 -13.496 -8.288 1.00 60.02 H new ATOM 0 HA THR A 69 7.902 -10.572 -8.340 1.00 22.14 H new ATOM 0 HB THR A 69 6.483 -10.268 -6.525 1.00 21.32 H new ATOM 0 HG1 THR A 69 5.838 -12.047 -5.141 1.00 4.45 H new ATOM 0 HG21 THR A 69 4.385 -11.494 -6.957 1.00 5.45 H new ATOM 0 HG22 THR A 69 5.153 -10.951 -8.468 1.00 5.45 H new ATOM 0 HG23 THR A 69 5.277 -12.654 -7.970 1.00 5.45 H new ATOM 1138 N ILE A 70 9.742 -10.660 -6.632 1.00 43.25 N ATOM 1139 CA ILE A 70 10.941 -10.756 -5.809 1.00 11.14 C ATOM 1140 C ILE A 70 10.849 -9.838 -4.595 1.00 13.42 C ATOM 1141 O ILE A 70 10.725 -8.620 -4.732 1.00 24.35 O ATOM 1142 CB ILE A 70 12.206 -10.401 -6.612 1.00 21.01 C ATOM 1143 CG1 ILE A 70 13.437 -10.423 -5.703 1.00 14.31 C ATOM 1144 CG2 ILE A 70 12.051 -9.038 -7.270 1.00 32.02 C ATOM 1145 CD1 ILE A 70 13.650 -11.748 -5.006 1.00 72.41 C ATOM 0 H ILE A 70 9.548 -9.724 -6.988 1.00 43.25 H new ATOM 0 HA ILE A 70 11.012 -11.791 -5.475 1.00 11.14 H new ATOM 0 HB ILE A 70 12.342 -11.147 -7.395 1.00 21.01 H new ATOM 0 HG12 ILE A 70 14.321 -10.188 -6.296 1.00 14.31 H new ATOM 0 HG13 ILE A 70 13.338 -9.639 -4.953 1.00 14.31 H new ATOM 0 HG21 ILE A 70 12.953 -8.801 -7.834 1.00 32.02 H new ATOM 0 HG22 ILE A 70 11.195 -9.055 -7.945 1.00 32.02 H new ATOM 0 HG23 ILE A 70 11.893 -8.280 -6.503 1.00 32.02 H new ATOM 0 HD11 ILE A 70 14.540 -11.690 -4.379 1.00 72.41 H new ATOM 0 HD12 ILE A 70 12.783 -11.976 -4.386 1.00 72.41 H new ATOM 0 HD13 ILE A 70 13.781 -12.534 -5.750 1.00 72.41 H new ATOM 1157 N VAL A 71 10.911 -10.429 -3.406 1.00 22.01 N ATOM 1158 CA VAL A 71 10.838 -9.664 -2.167 1.00 32.22 C ATOM 1159 C VAL A 71 12.228 -9.267 -1.683 1.00 30.21 C ATOM 1160 O VAL A 71 13.094 -10.119 -1.483 1.00 43.31 O ATOM 1161 CB VAL A 71 10.128 -10.461 -1.056 1.00 60.54 C ATOM 1162 CG1 VAL A 71 8.644 -10.598 -1.362 1.00 1.43 C ATOM 1163 CG2 VAL A 71 10.773 -11.828 -0.887 1.00 25.51 C ATOM 0 H VAL A 71 11.012 -11.435 -3.275 1.00 22.01 H new ATOM 0 HA VAL A 71 10.262 -8.765 -2.384 1.00 32.22 H new ATOM 0 HB VAL A 71 10.233 -9.916 -0.118 1.00 60.54 H new ATOM 0 HG11 VAL A 71 8.159 -11.164 -0.566 1.00 1.43 H new ATOM 0 HG12 VAL A 71 8.193 -9.608 -1.430 1.00 1.43 H new ATOM 0 HG13 VAL A 71 8.515 -11.121 -2.310 1.00 1.43 H new ATOM 0 HG21 VAL A 71 10.259 -12.378 -0.098 1.00 25.51 H new ATOM 0 HG22 VAL A 71 10.700 -12.383 -1.822 1.00 25.51 H new ATOM 0 HG23 VAL A 71 11.822 -11.705 -0.619 1.00 25.51 H new ATOM 1173 N VAL A 72 12.435 -7.968 -1.496 1.00 14.53 N ATOM 1174 CA VAL A 72 13.720 -7.457 -1.033 1.00 55.53 C ATOM 1175 C VAL A 72 13.595 -6.827 0.350 1.00 61.04 C ATOM 1176 O VAL A 72 12.772 -5.937 0.566 1.00 62.30 O ATOM 1177 CB VAL A 72 14.293 -6.413 -2.011 1.00 22.35 C ATOM 1178 CG1 VAL A 72 15.738 -6.091 -1.660 1.00 13.41 C ATOM 1179 CG2 VAL A 72 14.182 -6.909 -3.444 1.00 71.23 C ATOM 0 H VAL A 72 11.729 -7.250 -1.658 1.00 14.53 H new ATOM 0 HA VAL A 72 14.400 -8.308 -0.981 1.00 55.53 H new ATOM 0 HB VAL A 72 13.709 -5.497 -1.922 1.00 22.35 H new ATOM 0 HG11 VAL A 72 16.127 -5.352 -2.361 1.00 13.41 H new ATOM 0 HG12 VAL A 72 15.786 -5.691 -0.647 1.00 13.41 H new ATOM 0 HG13 VAL A 72 16.338 -6.999 -1.720 1.00 13.41 H new ATOM 0 HG21 VAL A 72 14.591 -6.159 -4.121 1.00 71.23 H new ATOM 0 HG22 VAL A 72 14.741 -7.839 -3.552 1.00 71.23 H new ATOM 0 HG23 VAL A 72 13.134 -7.085 -3.688 1.00 71.23 H new ATOM 1189 N ARG A 73 14.418 -7.294 1.283 1.00 71.53 N ATOM 1190 CA ARG A 73 14.400 -6.778 2.646 1.00 53.32 C ATOM 1191 C ARG A 73 15.537 -5.784 2.866 1.00 73.13 C ATOM 1192 O ARG A 73 16.712 -6.139 2.776 1.00 2.10 O ATOM 1193 CB ARG A 73 14.510 -7.926 3.651 1.00 50.23 C ATOM 1194 CG ARG A 73 15.692 -8.847 3.396 1.00 1.30 C ATOM 1195 CD ARG A 73 16.512 -9.063 4.659 1.00 74.55 C ATOM 1196 NE ARG A 73 16.953 -10.449 4.793 1.00 4.11 N ATOM 1197 CZ ARG A 73 17.594 -10.916 5.859 1.00 45.41 C ATOM 1198 NH1 ARG A 73 17.867 -10.112 6.878 1.00 53.35 N ATOM 1199 NH2 ARG A 73 17.964 -12.189 5.907 1.00 22.03 N ATOM 0 H ARG A 73 15.106 -8.029 1.120 1.00 71.53 H new ATOM 0 HA ARG A 73 13.453 -6.260 2.799 1.00 53.32 H new ATOM 0 HB2 ARG A 73 14.593 -7.511 4.656 1.00 50.23 H new ATOM 0 HB3 ARG A 73 13.591 -8.512 3.623 1.00 50.23 H new ATOM 0 HG2 ARG A 73 15.333 -9.807 3.025 1.00 1.30 H new ATOM 0 HG3 ARG A 73 16.325 -8.421 2.618 1.00 1.30 H new ATOM 0 HD2 ARG A 73 17.381 -8.406 4.644 1.00 74.55 H new ATOM 0 HD3 ARG A 73 15.917 -8.786 5.529 1.00 74.55 H new ATOM 0 HE ARG A 73 16.758 -11.093 4.027 1.00 4.11 H new ATOM 0 HH11 ARG A 73 17.585 -9.132 6.845 1.00 53.35 H new ATOM 0 HH12 ARG A 73 18.359 -10.473 7.695 1.00 53.35 H new ATOM 0 HH21 ARG A 73 17.756 -12.810 5.125 1.00 22.03 H new ATOM 0 HH22 ARG A 73 18.456 -12.547 6.726 1.00 22.03 H new ATOM 1213 N LYS A 74 15.179 -4.537 3.154 1.00 75.43 N ATOM 1214 CA LYS A 74 16.167 -3.491 3.387 1.00 21.45 C ATOM 1215 C LYS A 74 16.892 -3.714 4.711 1.00 40.20 C ATOM 1216 O LYS A 74 16.364 -4.354 5.620 1.00 14.24 O ATOM 1217 CB LYS A 74 15.495 -2.117 3.387 1.00 50.53 C ATOM 1218 CG LYS A 74 15.520 -1.428 2.033 1.00 30.10 C ATOM 1219 CD LYS A 74 15.685 0.076 2.175 1.00 22.32 C ATOM 1220 CE LYS A 74 17.069 0.528 1.735 1.00 1.45 C ATOM 1221 NZ LYS A 74 18.127 0.080 2.683 1.00 34.40 N ATOM 0 H LYS A 74 14.211 -4.226 3.232 1.00 75.43 H new ATOM 0 HA LYS A 74 16.899 -3.530 2.580 1.00 21.45 H new ATOM 0 HB2 LYS A 74 14.460 -2.228 3.710 1.00 50.53 H new ATOM 0 HB3 LYS A 74 15.991 -1.479 4.119 1.00 50.53 H new ATOM 0 HG2 LYS A 74 16.338 -1.830 1.435 1.00 30.10 H new ATOM 0 HG3 LYS A 74 14.596 -1.644 1.497 1.00 30.10 H new ATOM 0 HD2 LYS A 74 14.928 0.584 1.578 1.00 22.32 H new ATOM 0 HD3 LYS A 74 15.519 0.365 3.213 1.00 22.32 H new ATOM 0 HE2 LYS A 74 17.281 0.133 0.741 1.00 1.45 H new ATOM 0 HE3 LYS A 74 17.088 1.615 1.657 1.00 1.45 H new ATOM 0 HZ1 LYS A 74 19.055 0.408 2.348 1.00 34.40 H new ATOM 0 HZ2 LYS A 74 17.939 0.477 3.626 1.00 34.40 H new ATOM 0 HZ3 LYS A 74 18.126 -0.959 2.739 1.00 34.40 H new ATOM 1235 N LYS A 75 18.105 -3.180 4.813 1.00 34.31 N ATOM 1236 CA LYS A 75 18.902 -3.318 6.026 1.00 12.42 C ATOM 1237 C LYS A 75 20.240 -2.600 5.882 1.00 61.21 C ATOM 1238 O LYS A 75 20.498 -1.945 4.873 1.00 51.32 O ATOM 1239 CB LYS A 75 19.135 -4.796 6.343 1.00 63.50 C ATOM 1240 CG LYS A 75 18.643 -5.209 7.720 1.00 42.35 C ATOM 1241 CD LYS A 75 19.779 -5.726 8.586 1.00 61.20 C ATOM 1242 CE LYS A 75 19.401 -5.727 10.059 1.00 35.41 C ATOM 1243 NZ LYS A 75 18.721 -6.992 10.456 1.00 3.32 N ATOM 0 H LYS A 75 18.557 -2.648 4.070 1.00 34.31 H new ATOM 0 HA LYS A 75 18.351 -2.860 6.847 1.00 12.42 H new ATOM 0 HB2 LYS A 75 18.633 -5.404 5.590 1.00 63.50 H new ATOM 0 HB3 LYS A 75 20.201 -5.011 6.268 1.00 63.50 H new ATOM 0 HG2 LYS A 75 18.170 -4.357 8.209 1.00 42.35 H new ATOM 0 HG3 LYS A 75 17.881 -5.982 7.618 1.00 42.35 H new ATOM 0 HD2 LYS A 75 20.043 -6.737 8.276 1.00 61.20 H new ATOM 0 HD3 LYS A 75 20.663 -5.106 8.437 1.00 61.20 H new ATOM 0 HE2 LYS A 75 20.297 -5.591 10.664 1.00 35.41 H new ATOM 0 HE3 LYS A 75 18.745 -4.881 10.266 1.00 35.41 H new ATOM 0 HZ1 LYS A 75 18.479 -6.954 11.467 1.00 3.32 H new ATOM 0 HZ2 LYS A 75 17.852 -7.109 9.897 1.00 3.32 H new ATOM 0 HZ3 LYS A 75 19.356 -7.797 10.282 1.00 3.32 H new ATOM 1257 N ALA A 76 21.089 -2.730 6.896 1.00 34.45 N ATOM 1258 CA ALA A 76 22.402 -2.098 6.880 1.00 15.54 C ATOM 1259 C ALA A 76 23.342 -2.808 5.913 1.00 72.40 C ATOM 1260 O ALA A 76 24.502 -2.422 5.763 1.00 33.10 O ATOM 1261 CB ALA A 76 22.996 -2.080 8.281 1.00 63.23 C ATOM 0 H ALA A 76 20.890 -3.268 7.740 1.00 34.45 H new ATOM 0 HA ALA A 76 22.279 -1.071 6.536 1.00 15.54 H new ATOM 0 HB1 ALA A 76 23.977 -1.605 8.254 1.00 63.23 H new ATOM 0 HB2 ALA A 76 22.340 -1.520 8.947 1.00 63.23 H new ATOM 0 HB3 ALA A 76 23.098 -3.102 8.646 1.00 63.23 H new TER 1267 ALA A 76