USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=18 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 26 GLN : amide:sc= -0.457 K(o=-2.5,f=-3.4) USER MOD Set 1.2: A 83 MET CE :methyl -156:sc= 0 (180deg=-0.204) USER MOD Set 1.3: A 112 HIS : no HE2:sc= -2.01 K(o=-2.5,f=-8.2!) USER MOD Set 2.1: A 40 ASN : amide:sc= 1.36 K(o=1.4,f=-5.9!) USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0.0448 USER MOD Set 3.1: A 16 SER OG : rot -140:sc= 1.21 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.18 (180deg=-0.747) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0136) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 41:sc= 0.0426 USER MOD Single : A 17 GLN : amide:sc= -1.27! X(o=-1.3!,f=-0.87) USER MOD Single : A 23 GLN : amide:sc= -0.866 K(o=-0.87,f=-2.6!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 32 GLN : amide:sc= 0.0231 K(o=0.023,f=-0.78) USER MOD Single : A 34 THR OG1 : rot -27:sc= 0.588 USER MOD Single : A 44 HIS : no HE2:sc= 0.586 K(o=0.59,f=-3.8!) 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 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.37 K(o=0.37,f=-9.8!) USER MOD Single : A 60 HIS : no HE2:sc= 0.112 K(o=0.11,f=-5.7!) USER MOD Single : A 63 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.55 USER MOD Single : A 72 SER OG : rot 89:sc= 1.24 USER MOD Single : A 77 GLN : amide:sc= -4.84! C(o=-4.8!,f=-4!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) 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= -0.574 X(o=-0.57,f=-0.11) USER MOD Single : A 102 SER OG : rot 85:sc= 0.116 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.861 -10.489 21.964 1.00 45.23 N ATOM 2 CA MET A 1 -10.353 -10.179 23.324 1.00 10.34 C ATOM 3 C MET A 1 -9.240 -9.144 23.257 1.00 34.22 C ATOM 4 O MET A 1 -9.285 -8.127 23.949 1.00 54.51 O ATOM 5 CB MET A 1 -9.840 -11.444 24.026 1.00 75.21 C ATOM 6 CG MET A 1 -10.927 -12.460 24.344 1.00 3.34 C ATOM 7 SD MET A 1 -10.300 -13.898 25.241 1.00 45.13 S ATOM 8 CE MET A 1 -9.690 -13.127 26.741 1.00 41.53 C ATOM 0 H1 MET A 1 -11.665 -11.145 22.035 1.00 45.23 H new ATOM 0 H2 MET A 1 -11.171 -9.611 21.501 1.00 45.23 H new ATOM 0 H3 MET A 1 -10.104 -10.928 21.402 1.00 45.23 H new ATOM 0 HA MET A 1 -11.184 -9.774 23.901 1.00 10.34 H new ATOM 0 HB2 MET A 1 -9.088 -11.918 23.395 1.00 75.21 H new ATOM 0 HB3 MET A 1 -9.343 -11.157 24.953 1.00 75.21 H new ATOM 0 HG2 MET A 1 -11.706 -11.979 24.936 1.00 3.34 H new ATOM 0 HG3 MET A 1 -11.392 -12.791 23.415 1.00 3.34 H new ATOM 0 HE1 MET A 1 -9.916 -13.765 27.596 1.00 41.53 H new ATOM 0 HE2 MET A 1 -8.611 -12.989 26.666 1.00 41.53 H new ATOM 0 HE3 MET A 1 -10.172 -12.158 26.874 1.00 41.53 H new ATOM 20 N VAL A 2 -8.235 -9.403 22.428 1.00 73.41 N ATOM 21 CA VAL A 2 -7.134 -8.466 22.270 1.00 53.54 C ATOM 22 C VAL A 2 -7.574 -7.257 21.455 1.00 53.41 C ATOM 23 O VAL A 2 -8.247 -7.388 20.428 1.00 70.50 O ATOM 24 CB VAL A 2 -5.892 -9.117 21.614 1.00 73.33 C ATOM 25 CG1 VAL A 2 -5.310 -10.192 22.515 1.00 3.32 C ATOM 26 CG2 VAL A 2 -6.225 -9.694 20.246 1.00 63.51 C ATOM 0 H VAL A 2 -8.161 -10.247 21.860 1.00 73.41 H new ATOM 0 HA VAL A 2 -6.847 -8.147 23.272 1.00 53.54 H new ATOM 0 HB VAL A 2 -5.144 -8.336 21.476 1.00 73.33 H new ATOM 0 HG11 VAL A 2 -4.438 -10.636 22.035 1.00 3.32 H new ATOM 0 HG12 VAL A 2 -5.014 -9.749 23.466 1.00 3.32 H new ATOM 0 HG13 VAL A 2 -6.059 -10.963 22.692 1.00 3.32 H new ATOM 0 HG21 VAL A 2 -5.331 -10.143 19.813 1.00 63.51 H new ATOM 0 HG22 VAL A 2 -6.999 -10.454 20.350 1.00 63.51 H new ATOM 0 HG23 VAL A 2 -6.584 -8.898 19.593 1.00 63.51 H new ATOM 36 N LYS A 3 -7.217 -6.085 21.939 1.00 5.45 N ATOM 37 CA LYS A 3 -7.526 -4.847 21.255 1.00 23.42 C ATOM 38 C LYS A 3 -6.365 -4.476 20.345 1.00 74.25 C ATOM 39 O LYS A 3 -5.257 -4.222 20.815 1.00 42.33 O ATOM 40 CB LYS A 3 -7.791 -3.742 22.281 1.00 21.10 C ATOM 41 CG LYS A 3 -8.244 -2.420 21.679 1.00 4.24 C ATOM 42 CD LYS A 3 -8.614 -1.418 22.762 1.00 54.01 C ATOM 43 CE LYS A 3 -9.767 -1.929 23.616 1.00 1.34 C ATOM 44 NZ LYS A 3 -10.108 -0.999 24.726 1.00 44.44 N ATOM 0 H LYS A 3 -6.707 -5.964 22.814 1.00 5.45 H new ATOM 0 HA LYS A 3 -8.423 -4.970 20.648 1.00 23.42 H new ATOM 0 HB2 LYS A 3 -8.552 -4.088 22.981 1.00 21.10 H new ATOM 0 HB3 LYS A 3 -6.881 -3.572 22.857 1.00 21.10 H new ATOM 0 HG2 LYS A 3 -7.448 -2.009 21.057 1.00 4.24 H new ATOM 0 HG3 LYS A 3 -9.102 -2.589 21.028 1.00 4.24 H new ATOM 0 HD2 LYS A 3 -7.747 -1.226 23.394 1.00 54.01 H new ATOM 0 HD3 LYS A 3 -8.891 -0.469 22.303 1.00 54.01 H new ATOM 0 HE2 LYS A 3 -10.645 -2.076 22.986 1.00 1.34 H new ATOM 0 HE3 LYS A 3 -9.505 -2.903 24.029 1.00 1.34 H new ATOM 0 HZ1 LYS A 3 -10.898 -1.391 25.277 1.00 44.44 H new ATOM 0 HZ2 LYS A 3 -9.280 -0.878 25.344 1.00 44.44 H new ATOM 0 HZ3 LYS A 3 -10.385 -0.076 24.333 1.00 44.44 H new ATOM 58 N LEU A 4 -6.615 -4.461 19.042 1.00 64.13 N ATOM 59 CA LEU A 4 -5.564 -4.197 18.066 1.00 71.40 C ATOM 60 C LEU A 4 -5.322 -2.692 17.932 1.00 42.22 C ATOM 61 O LEU A 4 -5.232 -2.148 16.829 1.00 20.43 O ATOM 62 CB LEU A 4 -5.937 -4.822 16.718 1.00 70.21 C ATOM 63 CG LEU A 4 -4.795 -4.919 15.702 1.00 43.12 C ATOM 64 CD1 LEU A 4 -3.592 -5.632 16.304 1.00 70.45 C ATOM 65 CD2 LEU A 4 -5.263 -5.649 14.454 1.00 3.13 C ATOM 0 H LEU A 4 -7.536 -4.628 18.636 1.00 64.13 H new ATOM 0 HA LEU A 4 -4.635 -4.652 18.410 1.00 71.40 H new ATOM 0 HB2 LEU A 4 -6.328 -5.824 16.897 1.00 70.21 H new ATOM 0 HB3 LEU A 4 -6.745 -4.238 16.277 1.00 70.21 H new ATOM 0 HG LEU A 4 -4.494 -3.907 15.431 1.00 43.12 H new ATOM 0 HD11 LEU A 4 -2.794 -5.688 15.563 1.00 70.45 H new ATOM 0 HD12 LEU A 4 -3.240 -5.079 17.175 1.00 70.45 H new ATOM 0 HD13 LEU A 4 -3.879 -6.639 16.605 1.00 70.45 H new ATOM 0 HD21 LEU A 4 -4.442 -5.711 13.740 1.00 3.13 H new ATOM 0 HD22 LEU A 4 -5.589 -6.654 14.721 1.00 3.13 H new ATOM 0 HD23 LEU A 4 -6.094 -5.106 14.005 1.00 3.13 H new ATOM 77 N ALA A 5 -5.212 -2.041 19.081 1.00 12.01 N ATOM 78 CA ALA A 5 -4.947 -0.618 19.166 1.00 72.33 C ATOM 79 C ALA A 5 -4.543 -0.273 20.589 1.00 21.11 C ATOM 80 O ALA A 5 -5.073 -0.849 21.541 1.00 10.34 O ATOM 81 CB ALA A 5 -6.168 0.189 18.749 1.00 72.01 C ATOM 0 H ALA A 5 -5.306 -2.495 19.990 1.00 12.01 H new ATOM 0 HA ALA A 5 -4.135 -0.365 18.484 1.00 72.33 H new ATOM 0 HB1 ALA A 5 -5.943 1.253 18.822 1.00 72.01 H new ATOM 0 HB2 ALA A 5 -6.433 -0.057 17.720 1.00 72.01 H new ATOM 0 HB3 ALA A 5 -7.004 -0.051 19.406 1.00 72.01 H new ATOM 87 N PHE A 6 -3.593 0.640 20.730 1.00 23.33 N ATOM 88 CA PHE A 6 -3.121 1.063 22.045 1.00 14.44 C ATOM 89 C PHE A 6 -4.237 1.745 22.835 1.00 53.11 C ATOM 90 O PHE A 6 -4.780 2.760 22.407 1.00 62.41 O ATOM 91 CB PHE A 6 -1.907 1.992 21.910 1.00 62.02 C ATOM 92 CG PHE A 6 -1.899 2.816 20.650 1.00 4.35 C ATOM 93 CD1 PHE A 6 -2.762 3.887 20.491 1.00 30.45 C ATOM 94 CD2 PHE A 6 -1.023 2.509 19.619 1.00 63.53 C ATOM 95 CE1 PHE A 6 -2.753 4.636 19.331 1.00 22.10 C ATOM 96 CE2 PHE A 6 -1.010 3.254 18.459 1.00 60.54 C ATOM 97 CZ PHE A 6 -1.876 4.319 18.315 1.00 44.44 C ATOM 0 H PHE A 6 -3.131 1.105 19.948 1.00 23.33 H new ATOM 0 HA PHE A 6 -2.814 0.174 22.596 1.00 14.44 H new ATOM 0 HB2 PHE A 6 -1.879 2.662 22.769 1.00 62.02 H new ATOM 0 HB3 PHE A 6 -0.998 1.391 21.944 1.00 62.02 H new ATOM 0 HD1 PHE A 6 -3.450 4.140 21.284 1.00 30.45 H new ATOM 0 HD2 PHE A 6 -0.343 1.677 19.726 1.00 63.53 H new ATOM 0 HE1 PHE A 6 -3.432 5.469 19.220 1.00 22.10 H new ATOM 0 HE2 PHE A 6 -0.323 3.005 17.664 1.00 60.54 H new ATOM 0 HZ PHE A 6 -1.867 4.904 17.407 1.00 44.44 H new ATOM 107 N PRO A 7 -4.603 1.179 23.993 1.00 72.51 N ATOM 108 CA PRO A 7 -5.675 1.714 24.835 1.00 41.42 C ATOM 109 C PRO A 7 -5.330 3.078 25.426 1.00 3.43 C ATOM 110 O PRO A 7 -4.167 3.499 25.427 1.00 70.11 O ATOM 111 CB PRO A 7 -5.821 0.677 25.956 1.00 54.02 C ATOM 112 CG PRO A 7 -5.102 -0.535 25.470 1.00 65.13 C ATOM 113 CD PRO A 7 -4.011 -0.034 24.573 1.00 63.25 C ATOM 0 HA PRO A 7 -6.588 1.870 24.260 1.00 41.42 H new ATOM 0 HB2 PRO A 7 -5.390 1.042 26.888 1.00 54.02 H new ATOM 0 HB3 PRO A 7 -6.870 0.458 26.155 1.00 54.02 H new ATOM 0 HG2 PRO A 7 -4.691 -1.106 26.303 1.00 65.13 H new ATOM 0 HG3 PRO A 7 -5.777 -1.199 24.930 1.00 65.13 H new ATOM 0 HD2 PRO A 7 -3.099 0.186 25.128 1.00 63.25 H new ATOM 0 HD3 PRO A 7 -3.750 -0.764 23.807 1.00 63.25 H new ATOM 121 N ARG A 8 -6.349 3.750 25.943 1.00 23.43 N ATOM 122 CA ARG A 8 -6.183 5.054 26.561 1.00 24.44 C ATOM 123 C ARG A 8 -5.400 4.918 27.860 1.00 22.11 C ATOM 124 O ARG A 8 -5.961 4.632 28.918 1.00 70.51 O ATOM 125 CB ARG A 8 -7.556 5.691 26.811 1.00 21.52 C ATOM 126 CG ARG A 8 -7.529 7.037 27.525 1.00 31.34 C ATOM 127 CD ARG A 8 -6.671 8.059 26.799 1.00 0.44 C ATOM 128 NE ARG A 8 -5.325 8.132 27.361 1.00 21.55 N ATOM 129 CZ ARG A 8 -4.383 8.970 26.941 1.00 42.14 C ATOM 130 NH1 ARG A 8 -4.623 9.793 25.924 1.00 3.44 N ATOM 131 NH2 ARG A 8 -3.198 8.980 27.536 1.00 62.54 N ATOM 0 H ARG A 8 -7.310 3.407 25.945 1.00 23.43 H new ATOM 0 HA ARG A 8 -5.621 5.704 25.890 1.00 24.44 H new ATOM 0 HB2 ARG A 8 -8.060 5.817 25.853 1.00 21.52 H new ATOM 0 HB3 ARG A 8 -8.158 4.998 27.399 1.00 21.52 H new ATOM 0 HG2 ARG A 8 -8.546 7.418 27.615 1.00 31.34 H new ATOM 0 HG3 ARG A 8 -7.149 6.901 28.538 1.00 31.34 H new ATOM 0 HD2 ARG A 8 -6.610 7.798 25.742 1.00 0.44 H new ATOM 0 HD3 ARG A 8 -7.144 9.039 26.859 1.00 0.44 H new ATOM 0 HE ARG A 8 -5.093 7.498 28.126 1.00 21.55 H new ATOM 0 HH11 ARG A 8 -5.533 9.783 25.463 1.00 3.44 H new ATOM 0 HH12 ARG A 8 -3.897 10.435 25.605 1.00 3.44 H new ATOM 0 HH21 ARG A 8 -3.012 8.346 28.313 1.00 62.54 H new ATOM 0 HH22 ARG A 8 -2.472 9.622 27.217 1.00 62.54 H new ATOM 145 N GLU A 9 -4.094 5.094 27.759 1.00 63.42 N ATOM 146 CA GLU A 9 -3.212 4.990 28.907 1.00 11.55 C ATOM 147 C GLU A 9 -1.896 5.701 28.616 1.00 24.51 C ATOM 148 O GLU A 9 -1.719 6.868 28.967 1.00 51.34 O ATOM 149 CB GLU A 9 -2.970 3.514 29.261 1.00 50.40 C ATOM 150 CG GLU A 9 -2.116 3.307 30.503 1.00 21.41 C ATOM 151 CD GLU A 9 -2.652 4.047 31.709 1.00 2.11 C ATOM 152 OE1 GLU A 9 -3.612 3.557 32.341 1.00 31.12 O ATOM 153 OE2 GLU A 9 -2.114 5.120 32.037 1.00 2.51 O ATOM 0 H GLU A 9 -3.618 5.312 26.884 1.00 63.42 H new ATOM 0 HA GLU A 9 -3.683 5.471 29.764 1.00 11.55 H new ATOM 0 HB2 GLU A 9 -3.932 3.024 29.409 1.00 50.40 H new ATOM 0 HB3 GLU A 9 -2.489 3.023 28.416 1.00 50.40 H new ATOM 0 HG2 GLU A 9 -2.063 2.242 30.729 1.00 21.41 H new ATOM 0 HG3 GLU A 9 -1.099 3.641 30.299 1.00 21.41 H new ATOM 160 N LEU A 10 -0.994 5.006 27.935 1.00 32.11 N ATOM 161 CA LEU A 10 0.297 5.574 27.578 1.00 35.21 C ATOM 162 C LEU A 10 0.175 6.373 26.289 1.00 32.40 C ATOM 163 O LEU A 10 0.867 7.373 26.087 1.00 72.10 O ATOM 164 CB LEU A 10 1.339 4.461 27.409 1.00 4.44 C ATOM 165 CG LEU A 10 1.587 3.598 28.649 1.00 54.21 C ATOM 166 CD1 LEU A 10 2.594 2.503 28.342 1.00 42.24 C ATOM 167 CD2 LEU A 10 2.071 4.452 29.810 1.00 61.31 C ATOM 0 H LEU A 10 -1.134 4.046 27.619 1.00 32.11 H new ATOM 0 HA LEU A 10 0.621 6.239 28.379 1.00 35.21 H new ATOM 0 HB2 LEU A 10 1.022 3.811 26.593 1.00 4.44 H new ATOM 0 HB3 LEU A 10 2.284 4.914 27.108 1.00 4.44 H new ATOM 0 HG LEU A 10 0.644 3.132 28.935 1.00 54.21 H new ATOM 0 HD11 LEU A 10 2.758 1.899 29.234 1.00 42.24 H new ATOM 0 HD12 LEU A 10 2.211 1.870 27.541 1.00 42.24 H new ATOM 0 HD13 LEU A 10 3.536 2.953 28.030 1.00 42.24 H new ATOM 0 HD21 LEU A 10 2.241 3.819 30.681 1.00 61.31 H new ATOM 0 HD22 LEU A 10 3.002 4.947 29.534 1.00 61.31 H new ATOM 0 HD23 LEU A 10 1.317 5.203 30.049 1.00 61.31 H new ATOM 179 N ARG A 11 -0.733 5.940 25.429 1.00 42.22 N ATOM 180 CA ARG A 11 -0.917 6.563 24.134 1.00 5.31 C ATOM 181 C ARG A 11 -2.381 6.948 23.949 1.00 55.04 C ATOM 182 O ARG A 11 -3.252 6.462 24.671 1.00 34.43 O ATOM 183 CB ARG A 11 -0.443 5.605 23.035 1.00 33.11 C ATOM 184 CG ARG A 11 -0.371 6.223 21.649 1.00 21.01 C ATOM 185 CD ARG A 11 0.940 5.880 20.959 1.00 13.35 C ATOM 186 NE ARG A 11 2.073 6.578 21.568 1.00 53.31 N ATOM 187 CZ ARG A 11 3.333 6.147 21.530 1.00 62.42 C ATOM 188 NH1 ARG A 11 3.624 4.957 21.015 1.00 61.22 N ATOM 189 NH2 ARG A 11 4.302 6.899 22.035 1.00 74.12 N ATOM 0 H ARG A 11 -1.357 5.153 25.609 1.00 42.22 H new ATOM 0 HA ARG A 11 -0.322 7.474 24.071 1.00 5.31 H new ATOM 0 HB2 ARG A 11 0.544 5.226 23.302 1.00 33.11 H new ATOM 0 HB3 ARG A 11 -1.116 4.748 23.002 1.00 33.11 H new ATOM 0 HG2 ARG A 11 -1.206 5.867 21.046 1.00 21.01 H new ATOM 0 HG3 ARG A 11 -0.472 7.306 21.725 1.00 21.01 H new ATOM 0 HD2 ARG A 11 1.106 4.804 21.009 1.00 13.35 H new ATOM 0 HD3 ARG A 11 0.875 6.144 19.903 1.00 13.35 H new ATOM 0 HE ARG A 11 1.885 7.454 22.055 1.00 53.31 H new ATOM 0 HH11 ARG A 11 2.880 4.366 20.645 1.00 61.22 H new ATOM 0 HH12 ARG A 11 4.591 4.635 20.990 1.00 61.22 H new ATOM 0 HH21 ARG A 11 4.081 7.804 22.451 1.00 74.12 H new ATOM 0 HH22 ARG A 11 5.268 6.572 22.008 1.00 74.12 H new ATOM 203 N LEU A 12 -2.641 7.839 23.006 1.00 50.01 N ATOM 204 CA LEU A 12 -3.990 8.322 22.752 1.00 34.45 C ATOM 205 C LEU A 12 -4.595 7.650 21.524 1.00 23.24 C ATOM 206 O LEU A 12 -3.875 7.199 20.636 1.00 72.24 O ATOM 207 CB LEU A 12 -3.976 9.850 22.594 1.00 22.25 C ATOM 208 CG LEU A 12 -2.859 10.422 21.711 1.00 3.00 C ATOM 209 CD1 LEU A 12 -3.201 10.299 20.234 1.00 64.23 C ATOM 210 CD2 LEU A 12 -2.585 11.869 22.080 1.00 22.13 C ATOM 0 H LEU A 12 -1.929 8.246 22.399 1.00 50.01 H new ATOM 0 HA LEU A 12 -4.617 8.064 23.605 1.00 34.45 H new ATOM 0 HB2 LEU A 12 -4.935 10.162 22.181 1.00 22.25 H new ATOM 0 HB3 LEU A 12 -3.895 10.298 23.585 1.00 22.25 H new ATOM 0 HG LEU A 12 -1.956 9.838 21.889 1.00 3.00 H new ATOM 0 HD11 LEU A 12 -2.389 10.714 19.637 1.00 64.23 H new ATOM 0 HD12 LEU A 12 -3.339 9.248 19.979 1.00 64.23 H new ATOM 0 HD13 LEU A 12 -4.120 10.847 20.027 1.00 64.23 H new ATOM 0 HD21 LEU A 12 -1.790 12.262 21.446 1.00 22.13 H new ATOM 0 HD22 LEU A 12 -3.490 12.459 21.935 1.00 22.13 H new ATOM 0 HD23 LEU A 12 -2.278 11.926 23.124 1.00 22.13 H new ATOM 222 N LEU A 13 -5.918 7.586 21.485 1.00 4.12 N ATOM 223 CA LEU A 13 -6.623 6.958 20.375 1.00 65.32 C ATOM 224 C LEU A 13 -7.126 7.995 19.379 1.00 15.24 C ATOM 225 O LEU A 13 -8.024 8.785 19.681 1.00 53.14 O ATOM 226 CB LEU A 13 -7.795 6.114 20.885 1.00 13.11 C ATOM 227 CG LEU A 13 -7.412 4.748 21.457 1.00 73.44 C ATOM 228 CD1 LEU A 13 -8.627 4.069 22.075 1.00 2.25 C ATOM 229 CD2 LEU A 13 -6.810 3.876 20.363 1.00 22.41 C ATOM 0 H LEU A 13 -6.527 7.962 22.211 1.00 4.12 H new ATOM 0 HA LEU A 13 -5.913 6.308 19.864 1.00 65.32 H new ATOM 0 HB2 LEU A 13 -8.321 6.678 21.655 1.00 13.11 H new ATOM 0 HB3 LEU A 13 -8.497 5.963 20.065 1.00 13.11 H new ATOM 0 HG LEU A 13 -6.667 4.891 22.240 1.00 73.44 H new ATOM 0 HD11 LEU A 13 -8.336 3.098 22.477 1.00 2.25 H new ATOM 0 HD12 LEU A 13 -9.022 4.691 22.878 1.00 2.25 H new ATOM 0 HD13 LEU A 13 -9.394 3.931 21.313 1.00 2.25 H new ATOM 0 HD21 LEU A 13 -6.540 2.905 20.779 1.00 22.41 H new ATOM 0 HD22 LEU A 13 -7.539 3.739 19.565 1.00 22.41 H new ATOM 0 HD23 LEU A 13 -5.919 4.359 19.962 1.00 22.41 H new ATOM 241 N THR A 14 -6.530 7.995 18.199 1.00 2.55 N ATOM 242 CA THR A 14 -6.967 8.845 17.107 1.00 74.21 C ATOM 243 C THR A 14 -7.226 7.998 15.865 1.00 61.35 C ATOM 244 O THR A 14 -6.373 7.203 15.470 1.00 43.10 O ATOM 245 CB THR A 14 -5.918 9.926 16.781 1.00 34.41 C ATOM 246 OG1 THR A 14 -4.618 9.328 16.692 1.00 43.11 O ATOM 247 CG2 THR A 14 -5.911 11.020 17.839 1.00 52.51 C ATOM 0 H THR A 14 -5.729 7.405 17.972 1.00 2.55 H new ATOM 0 HA THR A 14 -7.886 9.343 17.416 1.00 74.21 H new ATOM 0 HB THR A 14 -6.179 10.379 15.824 1.00 34.41 H new ATOM 0 HG1 THR A 14 -4.684 8.471 16.221 1.00 43.11 H new ATOM 0 HG21 THR A 14 -5.161 11.769 17.583 1.00 52.51 H new ATOM 0 HG22 THR A 14 -6.893 11.490 17.883 1.00 52.51 H new ATOM 0 HG23 THR A 14 -5.673 10.586 18.810 1.00 52.51 H new ATOM 255 N PRO A 15 -8.401 8.158 15.235 1.00 1.14 N ATOM 256 CA PRO A 15 -8.805 7.355 14.069 1.00 65.14 C ATOM 257 C PRO A 15 -8.112 7.786 12.773 1.00 64.42 C ATOM 258 O PRO A 15 -8.692 7.709 11.688 1.00 23.02 O ATOM 259 CB PRO A 15 -10.309 7.618 13.981 1.00 41.41 C ATOM 260 CG PRO A 15 -10.484 8.985 14.544 1.00 22.54 C ATOM 261 CD PRO A 15 -9.437 9.139 15.613 1.00 24.24 C ATOM 0 HA PRO A 15 -8.535 6.305 14.186 1.00 65.14 H new ATOM 0 HB2 PRO A 15 -10.661 7.565 12.951 1.00 41.41 H new ATOM 0 HB3 PRO A 15 -10.875 6.880 14.549 1.00 41.41 H new ATOM 0 HG2 PRO A 15 -10.363 9.743 13.770 1.00 22.54 H new ATOM 0 HG3 PRO A 15 -11.484 9.109 14.959 1.00 22.54 H new ATOM 0 HD2 PRO A 15 -9.038 10.153 15.639 1.00 24.24 H new ATOM 0 HD3 PRO A 15 -9.843 8.931 16.603 1.00 24.24 H new ATOM 269 N SER A 16 -6.865 8.211 12.884 1.00 12.13 N ATOM 270 CA SER A 16 -6.105 8.642 11.728 1.00 72.32 C ATOM 271 C SER A 16 -5.311 7.472 11.157 1.00 53.44 C ATOM 272 O SER A 16 -4.324 7.034 11.752 1.00 31.32 O ATOM 273 CB SER A 16 -5.167 9.794 12.104 1.00 25.34 C ATOM 274 OG SER A 16 -4.422 10.244 10.985 1.00 13.11 O ATOM 0 H SER A 16 -6.358 8.266 13.767 1.00 12.13 H new ATOM 0 HA SER A 16 -6.798 8.999 10.966 1.00 72.32 H new ATOM 0 HB2 SER A 16 -5.749 10.621 12.511 1.00 25.34 H new ATOM 0 HB3 SER A 16 -4.485 9.468 12.889 1.00 25.34 H new ATOM 0 HG SER A 16 -3.502 10.439 11.261 1.00 13.11 H new ATOM 280 N GLN A 17 -5.765 6.964 10.013 1.00 53.02 N ATOM 281 CA GLN A 17 -5.108 5.850 9.334 1.00 4.04 C ATOM 282 C GLN A 17 -3.622 6.131 9.132 1.00 32.21 C ATOM 283 O GLN A 17 -2.769 5.343 9.538 1.00 71.12 O ATOM 284 CB GLN A 17 -5.760 5.597 7.972 1.00 24.13 C ATOM 285 CG GLN A 17 -5.090 4.490 7.178 1.00 0.10 C ATOM 286 CD GLN A 17 -5.374 4.579 5.692 1.00 5.23 C ATOM 287 OE1 GLN A 17 -4.650 5.243 4.953 1.00 5.21 O ATOM 288 NE2 GLN A 17 -6.424 3.915 5.244 1.00 54.40 N ATOM 0 H GLN A 17 -6.595 7.311 9.533 1.00 53.02 H new ATOM 0 HA GLN A 17 -5.219 4.967 9.963 1.00 4.04 H new ATOM 0 HB2 GLN A 17 -6.809 5.342 8.122 1.00 24.13 H new ATOM 0 HB3 GLN A 17 -5.735 6.518 7.389 1.00 24.13 H new ATOM 0 HG2 GLN A 17 -4.013 4.533 7.341 1.00 0.10 H new ATOM 0 HG3 GLN A 17 -5.430 3.524 7.551 1.00 0.10 H new ATOM 0 HE21 GLN A 17 -7.000 3.375 5.890 1.00 54.40 H new ATOM 0 HE22 GLN A 17 -6.659 3.942 4.252 1.00 54.40 H new ATOM 297 N PHE A 18 -3.329 7.274 8.526 1.00 51.40 N ATOM 298 CA PHE A 18 -1.963 7.634 8.170 1.00 20.14 C ATOM 299 C PHE A 18 -1.064 7.694 9.402 1.00 64.14 C ATOM 300 O PHE A 18 0.078 7.247 9.364 1.00 43.52 O ATOM 301 CB PHE A 18 -1.946 8.978 7.438 1.00 52.13 C ATOM 302 CG PHE A 18 -2.760 8.979 6.172 1.00 11.43 C ATOM 303 CD1 PHE A 18 -2.251 8.437 5.003 1.00 20.23 C ATOM 304 CD2 PHE A 18 -4.037 9.520 6.154 1.00 60.20 C ATOM 305 CE1 PHE A 18 -2.999 8.434 3.840 1.00 51.15 C ATOM 306 CE2 PHE A 18 -4.789 9.519 4.996 1.00 63.03 C ATOM 307 CZ PHE A 18 -4.269 8.977 3.837 1.00 13.12 C ATOM 0 H PHE A 18 -4.026 7.973 8.269 1.00 51.40 H new ATOM 0 HA PHE A 18 -1.573 6.860 7.508 1.00 20.14 H new ATOM 0 HB2 PHE A 18 -2.325 9.752 8.106 1.00 52.13 H new ATOM 0 HB3 PHE A 18 -0.915 9.240 7.199 1.00 52.13 H new ATOM 0 HD1 PHE A 18 -1.258 8.012 5.000 1.00 20.23 H new ATOM 0 HD2 PHE A 18 -4.448 9.947 7.057 1.00 60.20 H new ATOM 0 HE1 PHE A 18 -2.591 8.008 2.935 1.00 51.15 H new ATOM 0 HE2 PHE A 18 -5.783 9.942 4.997 1.00 63.03 H new ATOM 0 HZ PHE A 18 -4.855 8.978 2.930 1.00 13.12 H new ATOM 317 N THR A 19 -1.592 8.221 10.497 1.00 24.24 N ATOM 318 CA THR A 19 -0.814 8.368 11.718 1.00 44.54 C ATOM 319 C THR A 19 -0.599 7.010 12.399 1.00 33.03 C ATOM 320 O THR A 19 0.378 6.809 13.122 1.00 14.42 O ATOM 321 CB THR A 19 -1.511 9.341 12.693 1.00 53.11 C ATOM 322 OG1 THR A 19 -1.918 10.523 11.984 1.00 3.13 O ATOM 323 CG2 THR A 19 -0.586 9.734 13.836 1.00 2.43 C ATOM 0 H THR A 19 -2.554 8.553 10.565 1.00 24.24 H new ATOM 0 HA THR A 19 0.159 8.777 11.446 1.00 44.54 H new ATOM 0 HB THR A 19 -2.381 8.836 13.112 1.00 53.11 H new ATOM 0 HG1 THR A 19 -2.362 11.139 12.603 1.00 3.13 H new ATOM 0 HG21 THR A 19 -1.106 10.420 14.505 1.00 2.43 H new ATOM 0 HG22 THR A 19 -0.291 8.842 14.388 1.00 2.43 H new ATOM 0 HG23 THR A 19 0.302 10.222 13.434 1.00 2.43 H new ATOM 331 N PHE A 20 -1.507 6.073 12.150 1.00 41.21 N ATOM 332 CA PHE A 20 -1.422 4.750 12.754 1.00 10.52 C ATOM 333 C PHE A 20 -0.530 3.827 11.924 1.00 21.43 C ATOM 334 O PHE A 20 0.249 3.040 12.471 1.00 43.42 O ATOM 335 CB PHE A 20 -2.823 4.146 12.901 1.00 51.50 C ATOM 336 CG PHE A 20 -2.850 2.846 13.655 1.00 35.12 C ATOM 337 CD1 PHE A 20 -2.722 2.828 15.035 1.00 23.43 C ATOM 338 CD2 PHE A 20 -3.010 1.643 12.986 1.00 60.13 C ATOM 339 CE1 PHE A 20 -2.750 1.635 15.733 1.00 72.01 C ATOM 340 CE2 PHE A 20 -3.039 0.447 13.678 1.00 31.15 C ATOM 341 CZ PHE A 20 -2.909 0.443 15.054 1.00 22.21 C ATOM 0 H PHE A 20 -2.309 6.206 11.534 1.00 41.21 H new ATOM 0 HA PHE A 20 -0.976 4.853 13.743 1.00 10.52 H new ATOM 0 HB2 PHE A 20 -3.466 4.864 13.411 1.00 51.50 H new ATOM 0 HB3 PHE A 20 -3.246 3.988 11.909 1.00 51.50 H new ATOM 0 HD1 PHE A 20 -2.599 3.757 15.572 1.00 23.43 H new ATOM 0 HD2 PHE A 20 -3.113 1.640 11.911 1.00 60.13 H new ATOM 0 HE1 PHE A 20 -2.648 1.635 16.808 1.00 72.01 H new ATOM 0 HE2 PHE A 20 -3.163 -0.484 13.144 1.00 31.15 H new ATOM 0 HZ PHE A 20 -2.932 -0.490 15.597 1.00 22.21 H new ATOM 351 N VAL A 21 -0.638 3.934 10.606 1.00 55.51 N ATOM 352 CA VAL A 21 0.123 3.077 9.705 1.00 50.11 C ATOM 353 C VAL A 21 1.582 3.534 9.618 1.00 31.11 C ATOM 354 O VAL A 21 2.476 2.727 9.383 1.00 3.42 O ATOM 355 CB VAL A 21 -0.507 3.034 8.288 1.00 31.02 C ATOM 356 CG1 VAL A 21 -0.386 4.376 7.582 1.00 61.52 C ATOM 357 CG2 VAL A 21 0.114 1.926 7.453 1.00 4.13 C ATOM 0 H VAL A 21 -1.245 4.606 10.137 1.00 55.51 H new ATOM 0 HA VAL A 21 0.094 2.069 10.119 1.00 50.11 H new ATOM 0 HB VAL A 21 -1.569 2.819 8.407 1.00 31.02 H new ATOM 0 HG11 VAL A 21 -0.838 4.309 6.592 1.00 61.52 H new ATOM 0 HG12 VAL A 21 -0.900 5.141 8.164 1.00 61.52 H new ATOM 0 HG13 VAL A 21 0.667 4.641 7.483 1.00 61.52 H new ATOM 0 HG21 VAL A 21 -0.344 1.916 6.464 1.00 4.13 H new ATOM 0 HG22 VAL A 21 1.185 2.101 7.355 1.00 4.13 H new ATOM 0 HG23 VAL A 21 -0.054 0.966 7.940 1.00 4.13 H new ATOM 367 N PHE A 22 1.817 4.823 9.846 1.00 0.20 N ATOM 368 CA PHE A 22 3.167 5.383 9.792 1.00 73.24 C ATOM 369 C PHE A 22 4.045 4.803 10.899 1.00 61.42 C ATOM 370 O PHE A 22 5.269 4.774 10.785 1.00 55.11 O ATOM 371 CB PHE A 22 3.100 6.911 9.913 1.00 30.42 C ATOM 372 CG PHE A 22 4.438 7.597 9.857 1.00 14.24 C ATOM 373 CD1 PHE A 22 5.111 7.739 8.654 1.00 3.11 C ATOM 374 CD2 PHE A 22 5.023 8.103 11.010 1.00 25.14 C ATOM 375 CE1 PHE A 22 6.339 8.373 8.600 1.00 74.02 C ATOM 376 CE2 PHE A 22 6.250 8.738 10.961 1.00 70.31 C ATOM 377 CZ PHE A 22 6.909 8.872 9.755 1.00 11.11 C ATOM 0 H PHE A 22 1.090 5.502 10.070 1.00 0.20 H new ATOM 0 HA PHE A 22 3.614 5.117 8.834 1.00 73.24 H new ATOM 0 HB2 PHE A 22 2.472 7.300 9.111 1.00 30.42 H new ATOM 0 HB3 PHE A 22 2.612 7.168 10.853 1.00 30.42 H new ATOM 0 HD1 PHE A 22 4.671 7.350 7.748 1.00 3.11 H new ATOM 0 HD2 PHE A 22 4.513 7.999 11.957 1.00 25.14 H new ATOM 0 HE1 PHE A 22 6.852 8.478 7.655 1.00 74.02 H new ATOM 0 HE2 PHE A 22 6.693 9.129 11.865 1.00 70.31 H new ATOM 0 HZ PHE A 22 7.868 9.366 9.715 1.00 11.11 H new ATOM 387 N GLN A 23 3.405 4.335 11.960 1.00 12.41 N ATOM 388 CA GLN A 23 4.113 3.793 13.112 1.00 34.30 C ATOM 389 C GLN A 23 4.837 2.494 12.757 1.00 62.33 C ATOM 390 O GLN A 23 6.065 2.434 12.797 1.00 40.15 O ATOM 391 CB GLN A 23 3.130 3.566 14.256 1.00 33.14 C ATOM 392 CG GLN A 23 2.419 4.838 14.688 1.00 5.33 C ATOM 393 CD GLN A 23 1.337 4.590 15.716 1.00 62.35 C ATOM 394 OE1 GLN A 23 1.423 3.657 16.511 1.00 43.33 O ATOM 395 NE2 GLN A 23 0.309 5.425 15.702 1.00 41.43 N ATOM 0 H GLN A 23 2.389 4.320 12.048 1.00 12.41 H new ATOM 0 HA GLN A 23 4.868 4.513 13.426 1.00 34.30 H new ATOM 0 HB2 GLN A 23 2.389 2.828 13.950 1.00 33.14 H new ATOM 0 HB3 GLN A 23 3.664 3.147 15.109 1.00 33.14 H new ATOM 0 HG2 GLN A 23 3.150 5.535 15.099 1.00 5.33 H new ATOM 0 HG3 GLN A 23 1.979 5.317 13.813 1.00 5.33 H new ATOM 0 HE21 GLN A 23 0.279 6.186 15.024 1.00 41.43 H new ATOM 0 HE22 GLN A 23 -0.453 5.307 16.370 1.00 41.43 H new ATOM 404 N GLN A 24 4.073 1.461 12.416 1.00 63.04 N ATOM 405 CA GLN A 24 4.653 0.182 12.007 1.00 62.23 C ATOM 406 C GLN A 24 3.817 -0.479 10.918 1.00 14.23 C ATOM 407 O GLN A 24 2.872 -1.212 11.211 1.00 12.24 O ATOM 408 CB GLN A 24 4.792 -0.781 13.189 1.00 11.13 C ATOM 409 CG GLN A 24 5.933 -0.447 14.137 1.00 31.24 C ATOM 410 CD GLN A 24 6.210 -1.564 15.121 1.00 4.03 C ATOM 411 OE1 GLN A 24 5.653 -1.598 16.219 1.00 15.35 O ATOM 412 NE2 GLN A 24 7.060 -2.496 14.721 1.00 45.44 N ATOM 0 H GLN A 24 3.053 1.482 12.414 1.00 63.04 H new ATOM 0 HA GLN A 24 5.646 0.401 11.615 1.00 62.23 H new ATOM 0 HB2 GLN A 24 3.858 -0.786 13.751 1.00 11.13 H new ATOM 0 HB3 GLN A 24 4.938 -1.791 12.805 1.00 11.13 H new ATOM 0 HG2 GLN A 24 6.834 -0.243 13.559 1.00 31.24 H new ATOM 0 HG3 GLN A 24 5.692 0.465 14.684 1.00 31.24 H new ATOM 0 HE21 GLN A 24 7.498 -2.427 13.802 1.00 45.44 H new ATOM 0 HE22 GLN A 24 7.277 -3.284 15.331 1.00 45.44 H new ATOM 421 N PRO A 25 4.124 -0.192 9.650 1.00 64.04 N ATOM 422 CA PRO A 25 3.491 -0.841 8.515 1.00 72.14 C ATOM 423 C PRO A 25 4.320 -2.012 7.993 1.00 24.44 C ATOM 424 O PRO A 25 5.494 -2.156 8.343 1.00 33.32 O ATOM 425 CB PRO A 25 3.462 0.290 7.495 1.00 44.42 C ATOM 426 CG PRO A 25 4.720 1.061 7.756 1.00 53.12 C ATOM 427 CD PRO A 25 5.089 0.828 9.206 1.00 35.04 C ATOM 0 HA PRO A 25 2.517 -1.270 8.749 1.00 72.14 H new ATOM 0 HB2 PRO A 25 3.436 -0.095 6.476 1.00 44.42 H new ATOM 0 HB3 PRO A 25 2.579 0.916 7.621 1.00 44.42 H new ATOM 0 HG2 PRO A 25 5.521 0.728 7.096 1.00 53.12 H new ATOM 0 HG3 PRO A 25 4.569 2.123 7.562 1.00 53.12 H new ATOM 0 HD2 PRO A 25 6.117 0.478 9.307 1.00 35.04 H new ATOM 0 HD3 PRO A 25 5.004 1.742 9.793 1.00 35.04 H new ATOM 435 N GLN A 26 3.715 -2.852 7.168 1.00 51.14 N ATOM 436 CA GLN A 26 4.461 -3.909 6.506 1.00 31.41 C ATOM 437 C GLN A 26 5.077 -3.361 5.221 1.00 54.32 C ATOM 438 O GLN A 26 4.376 -3.094 4.243 1.00 64.25 O ATOM 439 CB GLN A 26 3.574 -5.136 6.219 1.00 11.35 C ATOM 440 CG GLN A 26 2.371 -4.859 5.326 1.00 53.42 C ATOM 441 CD GLN A 26 1.555 -6.105 5.040 1.00 34.40 C ATOM 442 OE1 GLN A 26 0.957 -6.241 3.969 1.00 12.21 O ATOM 443 NE2 GLN A 26 1.513 -7.021 5.995 1.00 53.33 N ATOM 0 H GLN A 26 2.721 -2.823 6.943 1.00 51.14 H new ATOM 0 HA GLN A 26 5.257 -4.246 7.170 1.00 31.41 H new ATOM 0 HB2 GLN A 26 4.186 -5.908 5.752 1.00 11.35 H new ATOM 0 HB3 GLN A 26 3.220 -5.541 7.167 1.00 11.35 H new ATOM 0 HG2 GLN A 26 1.734 -4.114 5.802 1.00 53.42 H new ATOM 0 HG3 GLN A 26 2.714 -4.430 4.384 1.00 53.42 H new ATOM 0 HE21 GLN A 26 2.021 -6.872 6.867 1.00 53.33 H new ATOM 0 HE22 GLN A 26 0.973 -7.875 5.859 1.00 53.33 H new ATOM 452 N ARG A 27 6.386 -3.158 5.235 1.00 63.11 N ATOM 453 CA ARG A 27 7.068 -2.583 4.087 1.00 55.23 C ATOM 454 C ARG A 27 7.338 -3.667 3.052 1.00 34.44 C ATOM 455 O ARG A 27 8.359 -4.351 3.098 1.00 34.22 O ATOM 456 CB ARG A 27 8.372 -1.893 4.523 1.00 71.03 C ATOM 457 CG ARG A 27 8.923 -0.884 3.515 1.00 43.45 C ATOM 458 CD ARG A 27 9.661 -1.550 2.359 1.00 54.34 C ATOM 459 NE ARG A 27 10.859 -2.254 2.812 1.00 61.23 N ATOM 460 CZ ARG A 27 11.435 -3.256 2.149 1.00 14.31 C ATOM 461 NH1 ARG A 27 10.945 -3.650 0.979 1.00 14.13 N ATOM 462 NH2 ARG A 27 12.509 -3.854 2.651 1.00 24.43 N ATOM 0 H ARG A 27 6.993 -3.381 6.023 1.00 63.11 H new ATOM 0 HA ARG A 27 6.429 -1.825 3.634 1.00 55.23 H new ATOM 0 HB2 ARG A 27 8.199 -1.383 5.471 1.00 71.03 H new ATOM 0 HB3 ARG A 27 9.129 -2.656 4.705 1.00 71.03 H new ATOM 0 HG2 ARG A 27 8.102 -0.286 3.120 1.00 43.45 H new ATOM 0 HG3 ARG A 27 9.599 -0.199 4.026 1.00 43.45 H new ATOM 0 HD2 ARG A 27 8.994 -2.252 1.859 1.00 54.34 H new ATOM 0 HD3 ARG A 27 9.939 -0.796 1.623 1.00 54.34 H new ATOM 0 HE ARG A 27 11.281 -1.959 3.692 1.00 61.23 H new ATOM 0 HH11 ARG A 27 10.126 -3.185 0.586 1.00 14.13 H new ATOM 0 HH12 ARG A 27 11.387 -4.417 0.473 1.00 14.13 H new ATOM 0 HH21 ARG A 27 12.893 -3.546 3.544 1.00 24.43 H new ATOM 0 HH22 ARG A 27 12.950 -4.621 2.143 1.00 24.43 H new ATOM 476 N ALA A 28 6.397 -3.840 2.141 1.00 50.33 N ATOM 477 CA ALA A 28 6.531 -4.822 1.081 1.00 32.44 C ATOM 478 C ALA A 28 6.233 -4.181 -0.266 1.00 63.33 C ATOM 479 O ALA A 28 5.079 -3.878 -0.583 1.00 71.24 O ATOM 480 CB ALA A 28 5.610 -6.009 1.333 1.00 12.31 C ATOM 0 H ALA A 28 5.526 -3.309 2.115 1.00 50.33 H new ATOM 0 HA ALA A 28 7.557 -5.189 1.069 1.00 32.44 H new ATOM 0 HB1 ALA A 28 5.724 -6.735 0.528 1.00 12.31 H new ATOM 0 HB2 ALA A 28 5.870 -6.476 2.283 1.00 12.31 H new ATOM 0 HB3 ALA A 28 4.576 -5.666 1.369 1.00 12.31 H new ATOM 486 N GLY A 29 7.280 -3.964 -1.043 1.00 43.02 N ATOM 487 CA GLY A 29 7.146 -3.295 -2.315 1.00 55.41 C ATOM 488 C GLY A 29 8.482 -2.783 -2.796 1.00 11.32 C ATOM 489 O GLY A 29 9.522 -3.225 -2.312 1.00 53.42 O ATOM 0 H GLY A 29 8.233 -4.244 -0.810 1.00 43.02 H new ATOM 0 HA2 GLY A 29 6.729 -3.983 -3.050 1.00 55.41 H new ATOM 0 HA3 GLY A 29 6.446 -2.465 -2.222 1.00 55.41 H new ATOM 493 N THR A 30 8.462 -1.838 -3.719 1.00 41.13 N ATOM 494 CA THR A 30 9.688 -1.304 -4.281 1.00 2.14 C ATOM 495 C THR A 30 9.921 0.123 -3.779 1.00 11.33 C ATOM 496 O THR A 30 9.024 0.725 -3.184 1.00 54.51 O ATOM 497 CB THR A 30 9.639 -1.318 -5.825 1.00 22.31 C ATOM 498 OG1 THR A 30 8.496 -0.588 -6.289 1.00 14.42 O ATOM 499 CG2 THR A 30 9.586 -2.746 -6.356 1.00 23.33 C ATOM 0 H THR A 30 7.609 -1.425 -4.095 1.00 41.13 H new ATOM 0 HA THR A 30 10.514 -1.937 -3.957 1.00 2.14 H new ATOM 0 HB THR A 30 10.547 -0.843 -6.196 1.00 22.31 H new ATOM 0 HG1 THR A 30 8.475 -0.601 -7.269 1.00 14.42 H new ATOM 0 HG21 THR A 30 9.552 -2.728 -7.445 1.00 23.33 H new ATOM 0 HG22 THR A 30 10.473 -3.289 -6.029 1.00 23.33 H new ATOM 0 HG23 THR A 30 8.695 -3.244 -5.973 1.00 23.33 H new ATOM 507 N PRO A 31 11.129 0.679 -3.989 1.00 34.25 N ATOM 508 CA PRO A 31 11.433 2.069 -3.632 1.00 74.00 C ATOM 509 C PRO A 31 10.706 3.060 -4.537 1.00 11.13 C ATOM 510 O PRO A 31 10.707 4.263 -4.282 1.00 64.34 O ATOM 511 CB PRO A 31 12.953 2.183 -3.831 1.00 21.55 C ATOM 512 CG PRO A 31 13.443 0.784 -3.982 1.00 0.13 C ATOM 513 CD PRO A 31 12.300 0.002 -4.559 1.00 13.23 C ATOM 0 HA PRO A 31 11.112 2.304 -2.617 1.00 74.00 H new ATOM 0 HB2 PRO A 31 13.189 2.778 -4.713 1.00 21.55 H new ATOM 0 HB3 PRO A 31 13.424 2.674 -2.979 1.00 21.55 H new ATOM 0 HG2 PRO A 31 14.313 0.744 -4.638 1.00 0.13 H new ATOM 0 HG3 PRO A 31 13.750 0.373 -3.020 1.00 0.13 H new ATOM 0 HD2 PRO A 31 12.296 0.034 -5.649 1.00 13.23 H new ATOM 0 HD3 PRO A 31 12.341 -1.048 -4.271 1.00 13.23 H new ATOM 521 N GLN A 32 10.099 2.542 -5.599 1.00 25.41 N ATOM 522 CA GLN A 32 9.337 3.364 -6.527 1.00 72.31 C ATOM 523 C GLN A 32 7.889 3.453 -6.065 1.00 1.22 C ATOM 524 O GLN A 32 7.311 4.537 -5.991 1.00 33.34 O ATOM 525 CB GLN A 32 9.417 2.771 -7.935 1.00 73.05 C ATOM 526 CG GLN A 32 8.731 3.614 -8.997 1.00 32.10 C ATOM 527 CD GLN A 32 9.291 5.022 -9.069 1.00 63.21 C ATOM 528 OE1 GLN A 32 8.796 5.935 -8.413 1.00 54.53 O ATOM 529 NE2 GLN A 32 10.335 5.204 -9.861 1.00 61.33 N ATOM 0 H GLN A 32 10.121 1.551 -5.838 1.00 25.41 H new ATOM 0 HA GLN A 32 9.759 4.369 -6.550 1.00 72.31 H new ATOM 0 HB2 GLN A 32 10.465 2.644 -8.206 1.00 73.05 H new ATOM 0 HB3 GLN A 32 8.968 1.778 -7.927 1.00 73.05 H new ATOM 0 HG2 GLN A 32 8.843 3.131 -9.968 1.00 32.10 H new ATOM 0 HG3 GLN A 32 7.663 3.661 -8.785 1.00 32.10 H new ATOM 0 HE21 GLN A 32 10.717 4.420 -10.390 1.00 61.33 H new ATOM 0 HE22 GLN A 32 10.758 6.129 -9.943 1.00 61.33 H new ATOM 538 N ILE A 33 7.309 2.304 -5.755 1.00 41.22 N ATOM 539 CA ILE A 33 5.967 2.251 -5.203 1.00 22.40 C ATOM 540 C ILE A 33 5.979 1.465 -3.893 1.00 61.11 C ATOM 541 O ILE A 33 6.076 0.234 -3.876 1.00 64.40 O ATOM 542 CB ILE A 33 4.947 1.654 -6.209 1.00 1.32 C ATOM 543 CG1 ILE A 33 3.565 1.510 -5.559 1.00 10.41 C ATOM 544 CG2 ILE A 33 5.432 0.320 -6.765 1.00 2.15 C ATOM 545 CD1 ILE A 33 2.491 1.014 -6.509 1.00 1.45 C ATOM 0 H ILE A 33 7.750 1.393 -5.878 1.00 41.22 H new ATOM 0 HA ILE A 33 5.642 3.272 -5.001 1.00 22.40 H new ATOM 0 HB ILE A 33 4.859 2.346 -7.047 1.00 1.32 H new ATOM 0 HG12 ILE A 33 3.639 0.821 -4.718 1.00 10.41 H new ATOM 0 HG13 ILE A 33 3.262 2.476 -5.154 1.00 10.41 H new ATOM 0 HG21 ILE A 33 4.695 -0.071 -7.466 1.00 2.15 H new ATOM 0 HG22 ILE A 33 6.382 0.464 -7.280 1.00 2.15 H new ATOM 0 HG23 ILE A 33 5.566 -0.388 -5.947 1.00 2.15 H new ATOM 0 HD11 ILE A 33 1.542 0.938 -5.978 1.00 1.45 H new ATOM 0 HD12 ILE A 33 2.387 1.714 -7.338 1.00 1.45 H new ATOM 0 HD13 ILE A 33 2.771 0.034 -6.895 1.00 1.45 H new ATOM 557 N THR A 34 5.924 2.193 -2.791 1.00 52.54 N ATOM 558 CA THR A 34 6.024 1.593 -1.478 1.00 23.31 C ATOM 559 C THR A 34 4.644 1.417 -0.853 1.00 2.31 C ATOM 560 O THR A 34 3.980 2.390 -0.493 1.00 45.13 O ATOM 561 CB THR A 34 6.908 2.453 -0.560 1.00 60.43 C ATOM 562 OG1 THR A 34 8.150 2.742 -1.220 1.00 5.42 O ATOM 563 CG2 THR A 34 7.185 1.742 0.756 1.00 63.02 C ATOM 0 H THR A 34 5.810 3.207 -2.783 1.00 52.54 H new ATOM 0 HA THR A 34 6.481 0.610 -1.592 1.00 23.31 H new ATOM 0 HB THR A 34 6.378 3.381 -0.345 1.00 60.43 H new ATOM 0 HG1 THR A 34 8.353 2.029 -1.861 1.00 5.42 H new ATOM 0 HG21 THR A 34 7.812 2.373 1.386 1.00 63.02 H new ATOM 0 HG22 THR A 34 6.243 1.542 1.267 1.00 63.02 H new ATOM 0 HG23 THR A 34 7.698 0.801 0.560 1.00 63.02 H new ATOM 571 N ILE A 35 4.214 0.170 -0.742 1.00 23.34 N ATOM 572 CA ILE A 35 2.919 -0.147 -0.167 1.00 42.45 C ATOM 573 C ILE A 35 3.055 -0.413 1.326 1.00 12.53 C ATOM 574 O ILE A 35 3.621 -1.429 1.737 1.00 72.31 O ATOM 575 CB ILE A 35 2.299 -1.384 -0.847 1.00 43.41 C ATOM 576 CG1 ILE A 35 2.296 -1.207 -2.369 1.00 70.20 C ATOM 577 CG2 ILE A 35 0.886 -1.617 -0.334 1.00 22.42 C ATOM 578 CD1 ILE A 35 1.878 -2.449 -3.126 1.00 75.15 C ATOM 0 H ILE A 35 4.749 -0.644 -1.046 1.00 23.34 H new ATOM 0 HA ILE A 35 2.265 0.710 -0.329 1.00 42.45 H new ATOM 0 HB ILE A 35 2.903 -2.258 -0.601 1.00 43.41 H new ATOM 0 HG12 ILE A 35 1.623 -0.390 -2.629 1.00 70.20 H new ATOM 0 HG13 ILE A 35 3.294 -0.913 -2.694 1.00 70.20 H new ATOM 0 HG21 ILE A 35 0.461 -2.494 -0.823 1.00 22.42 H new ATOM 0 HG22 ILE A 35 0.912 -1.780 0.743 1.00 22.42 H new ATOM 0 HG23 ILE A 35 0.271 -0.745 -0.554 1.00 22.42 H new ATOM 0 HD11 ILE A 35 1.900 -2.247 -4.197 1.00 75.15 H new ATOM 0 HD12 ILE A 35 2.565 -3.264 -2.896 1.00 75.15 H new ATOM 0 HD13 ILE A 35 0.868 -2.732 -2.831 1.00 75.15 H new ATOM 590 N LEU A 36 2.542 0.503 2.131 1.00 72.11 N ATOM 591 CA LEU A 36 2.639 0.394 3.578 1.00 34.41 C ATOM 592 C LEU A 36 1.272 0.100 4.180 1.00 54.42 C ATOM 593 O LEU A 36 0.404 0.967 4.221 1.00 63.34 O ATOM 594 CB LEU A 36 3.207 1.686 4.168 1.00 73.45 C ATOM 595 CG LEU A 36 4.616 2.052 3.698 1.00 24.23 C ATOM 596 CD1 LEU A 36 5.044 3.385 4.290 1.00 13.23 C ATOM 597 CD2 LEU A 36 5.605 0.960 4.080 1.00 5.44 C ATOM 0 H LEU A 36 2.051 1.335 1.805 1.00 72.11 H new ATOM 0 HA LEU A 36 3.311 -0.429 3.820 1.00 34.41 H new ATOM 0 HB2 LEU A 36 2.534 2.507 3.920 1.00 73.45 H new ATOM 0 HB3 LEU A 36 3.215 1.598 5.254 1.00 73.45 H new ATOM 0 HG LEU A 36 4.604 2.143 2.612 1.00 24.23 H new ATOM 0 HD11 LEU A 36 6.049 3.630 3.946 1.00 13.23 H new ATOM 0 HD12 LEU A 36 4.351 4.164 3.972 1.00 13.23 H new ATOM 0 HD13 LEU A 36 5.040 3.318 5.378 1.00 13.23 H new ATOM 0 HD21 LEU A 36 6.602 1.237 3.738 1.00 5.44 H new ATOM 0 HD22 LEU A 36 5.613 0.839 5.163 1.00 5.44 H new ATOM 0 HD23 LEU A 36 5.309 0.021 3.613 1.00 5.44 H new ATOM 609 N GLY A 37 1.081 -1.128 4.636 1.00 41.35 N ATOM 610 CA GLY A 37 -0.195 -1.508 5.210 1.00 34.41 C ATOM 611 C GLY A 37 -0.067 -1.987 6.638 1.00 70.44 C ATOM 612 O GLY A 37 0.971 -2.529 7.022 1.00 71.13 O ATOM 0 H GLY A 37 1.784 -1.867 4.620 1.00 41.35 H new ATOM 0 HA2 GLY A 37 -0.874 -0.656 5.175 1.00 34.41 H new ATOM 0 HA3 GLY A 37 -0.642 -2.296 4.604 1.00 34.41 H new ATOM 616 N ARG A 38 -1.110 -1.784 7.426 1.00 11.31 N ATOM 617 CA ARG A 38 -1.116 -2.236 8.807 1.00 54.12 C ATOM 618 C ARG A 38 -2.509 -2.707 9.206 1.00 63.13 C ATOM 619 O ARG A 38 -3.503 -2.019 8.972 1.00 62.32 O ATOM 620 CB ARG A 38 -0.648 -1.124 9.753 1.00 70.33 C ATOM 621 CG ARG A 38 -0.525 -1.590 11.194 1.00 44.11 C ATOM 622 CD ARG A 38 -0.046 -0.487 12.120 1.00 13.41 C ATOM 623 NE ARG A 38 0.128 -0.987 13.483 1.00 23.10 N ATOM 624 CZ ARG A 38 0.537 -0.249 14.514 1.00 30.15 C ATOM 625 NH1 ARG A 38 0.740 1.055 14.374 1.00 11.20 N ATOM 626 NH2 ARG A 38 0.718 -0.811 15.699 1.00 33.52 N ATOM 0 H ARG A 38 -1.964 -1.309 7.133 1.00 11.31 H new ATOM 0 HA ARG A 38 -0.421 -3.072 8.889 1.00 54.12 H new ATOM 0 HB2 ARG A 38 0.317 -0.747 9.414 1.00 70.33 H new ATOM 0 HB3 ARG A 38 -1.350 -0.292 9.704 1.00 70.33 H new ATOM 0 HG2 ARG A 38 -1.492 -1.955 11.539 1.00 44.11 H new ATOM 0 HG3 ARG A 38 0.169 -2.429 11.244 1.00 44.11 H new ATOM 0 HD2 ARG A 38 0.898 -0.084 11.753 1.00 13.41 H new ATOM 0 HD3 ARG A 38 -0.765 0.332 12.118 1.00 13.41 H new ATOM 0 HE ARG A 38 -0.078 -1.971 13.657 1.00 23.10 H new ATOM 0 HH11 ARG A 38 0.583 1.501 13.470 1.00 11.20 H new ATOM 0 HH12 ARG A 38 1.053 1.611 15.170 1.00 11.20 H new ATOM 0 HH21 ARG A 38 0.544 -1.809 15.822 1.00 33.52 H new ATOM 0 HH22 ARG A 38 1.031 -0.246 16.489 1.00 33.52 H new ATOM 640 N LEU A 39 -2.574 -3.890 9.794 1.00 42.52 N ATOM 641 CA LEU A 39 -3.837 -4.444 10.252 1.00 62.43 C ATOM 642 C LEU A 39 -4.329 -3.712 11.502 1.00 33.31 C ATOM 643 O LEU A 39 -3.554 -3.436 12.422 1.00 3.12 O ATOM 644 CB LEU A 39 -3.718 -5.956 10.525 1.00 61.25 C ATOM 645 CG LEU A 39 -2.780 -6.379 11.668 1.00 2.51 C ATOM 646 CD1 LEU A 39 -3.046 -7.823 12.062 1.00 35.32 C ATOM 647 CD2 LEU A 39 -1.319 -6.216 11.271 1.00 13.43 C ATOM 0 H LEU A 39 -1.765 -4.486 9.966 1.00 42.52 H new ATOM 0 HA LEU A 39 -4.569 -4.302 9.457 1.00 62.43 H new ATOM 0 HB2 LEU A 39 -4.714 -6.342 10.741 1.00 61.25 H new ATOM 0 HB3 LEU A 39 -3.380 -6.442 9.610 1.00 61.25 H new ATOM 0 HG LEU A 39 -2.980 -5.729 12.520 1.00 2.51 H new ATOM 0 HD11 LEU A 39 -2.375 -8.109 12.872 1.00 35.32 H new ATOM 0 HD12 LEU A 39 -4.079 -7.925 12.394 1.00 35.32 H new ATOM 0 HD13 LEU A 39 -2.875 -8.472 11.203 1.00 35.32 H new ATOM 0 HD21 LEU A 39 -0.680 -6.523 12.099 1.00 13.43 H new ATOM 0 HD22 LEU A 39 -1.107 -6.837 10.400 1.00 13.43 H new ATOM 0 HD23 LEU A 39 -1.122 -5.172 11.029 1.00 13.43 H new ATOM 659 N ASN A 40 -5.615 -3.394 11.517 1.00 21.05 N ATOM 660 CA ASN A 40 -6.232 -2.703 12.642 1.00 74.32 C ATOM 661 C ASN A 40 -7.616 -3.292 12.898 1.00 32.04 C ATOM 662 O ASN A 40 -8.172 -3.963 12.026 1.00 35.12 O ATOM 663 CB ASN A 40 -6.326 -1.194 12.357 1.00 3.33 C ATOM 664 CG ASN A 40 -6.977 -0.411 13.487 1.00 4.45 C ATOM 665 OD1 ASN A 40 -8.189 -0.206 13.500 1.00 41.43 O ATOM 666 ND2 ASN A 40 -6.177 0.017 14.450 1.00 34.50 N ATOM 0 H ASN A 40 -6.258 -3.606 10.754 1.00 21.05 H new ATOM 0 HA ASN A 40 -5.618 -2.839 13.532 1.00 74.32 H new ATOM 0 HB2 ASN A 40 -5.325 -0.801 12.181 1.00 3.33 H new ATOM 0 HB3 ASN A 40 -6.895 -1.038 11.441 1.00 3.33 H new ATOM 0 HD21 ASN A 40 -6.561 0.537 15.239 1.00 34.50 H new ATOM 0 HD22 ASN A 40 -5.176 -0.173 14.404 1.00 34.50 H new ATOM 673 N SER A 41 -8.160 -3.052 14.087 1.00 61.53 N ATOM 674 CA SER A 41 -9.473 -3.565 14.457 1.00 22.02 C ATOM 675 C SER A 41 -10.569 -3.046 13.521 1.00 2.10 C ATOM 676 O SER A 41 -11.573 -3.722 13.299 1.00 32.41 O ATOM 677 CB SER A 41 -9.776 -3.192 15.907 1.00 63.32 C ATOM 678 OG SER A 41 -9.319 -1.879 16.194 1.00 23.33 O ATOM 0 H SER A 41 -7.707 -2.501 14.816 1.00 61.53 H new ATOM 0 HA SER A 41 -9.458 -4.650 14.359 1.00 22.02 H new ATOM 0 HB2 SER A 41 -10.849 -3.256 16.088 1.00 63.32 H new ATOM 0 HB3 SER A 41 -9.296 -3.904 16.579 1.00 63.32 H new ATOM 0 HG SER A 41 -9.524 -1.658 17.127 1.00 23.33 H new ATOM 684 N LEU A 42 -10.375 -1.847 12.976 1.00 1.25 N ATOM 685 CA LEU A 42 -11.305 -1.292 12.001 1.00 3.14 C ATOM 686 C LEU A 42 -11.286 -2.136 10.734 1.00 63.11 C ATOM 687 O LEU A 42 -12.282 -2.768 10.378 1.00 74.31 O ATOM 688 CB LEU A 42 -10.938 0.160 11.677 1.00 32.42 C ATOM 689 CG LEU A 42 -11.854 0.853 10.664 1.00 32.34 C ATOM 690 CD1 LEU A 42 -13.261 0.995 11.221 1.00 31.30 C ATOM 691 CD2 LEU A 42 -11.290 2.210 10.277 1.00 15.12 C ATOM 0 H LEU A 42 -9.582 -1.243 13.194 1.00 1.25 H new ATOM 0 HA LEU A 42 -12.310 -1.306 12.424 1.00 3.14 H new ATOM 0 HB2 LEU A 42 -10.946 0.735 12.603 1.00 32.42 H new ATOM 0 HB3 LEU A 42 -9.917 0.184 11.296 1.00 32.42 H new ATOM 0 HG LEU A 42 -11.904 0.234 9.768 1.00 32.34 H new ATOM 0 HD11 LEU A 42 -13.895 1.490 10.485 1.00 31.30 H new ATOM 0 HD12 LEU A 42 -13.666 0.008 11.443 1.00 31.30 H new ATOM 0 HD13 LEU A 42 -13.233 1.590 12.134 1.00 31.30 H new ATOM 0 HD21 LEU A 42 -11.954 2.688 9.557 1.00 15.12 H new ATOM 0 HD22 LEU A 42 -11.207 2.836 11.165 1.00 15.12 H new ATOM 0 HD23 LEU A 42 -10.304 2.080 9.831 1.00 15.12 H new ATOM 703 N GLY A 43 -10.140 -2.137 10.063 1.00 22.34 N ATOM 704 CA GLY A 43 -9.945 -2.985 8.907 1.00 31.33 C ATOM 705 C GLY A 43 -10.932 -2.710 7.792 1.00 12.44 C ATOM 706 O GLY A 43 -11.633 -3.615 7.337 1.00 43.15 O ATOM 0 H GLY A 43 -9.336 -1.558 10.304 1.00 22.34 H new ATOM 0 HA2 GLY A 43 -8.932 -2.846 8.529 1.00 31.33 H new ATOM 0 HA3 GLY A 43 -10.032 -4.028 9.211 1.00 31.33 H new ATOM 710 N HIS A 44 -11.006 -1.463 7.360 1.00 11.44 N ATOM 711 CA HIS A 44 -11.875 -1.090 6.251 1.00 5.53 C ATOM 712 C HIS A 44 -11.047 -0.388 5.188 1.00 53.52 C ATOM 713 O HIS A 44 -11.010 0.840 5.140 1.00 31.21 O ATOM 714 CB HIS A 44 -13.029 -0.190 6.719 1.00 4.04 C ATOM 715 CG HIS A 44 -14.067 -0.888 7.550 1.00 71.21 C ATOM 716 ND1 HIS A 44 -14.035 -2.236 7.841 1.00 11.21 N ATOM 717 CD2 HIS A 44 -15.175 -0.406 8.163 1.00 2.31 C ATOM 718 CE1 HIS A 44 -15.073 -2.552 8.591 1.00 74.20 C ATOM 719 NE2 HIS A 44 -15.783 -1.460 8.802 1.00 62.42 N ATOM 0 H HIS A 44 -10.475 -0.689 7.759 1.00 11.44 H new ATOM 0 HA HIS A 44 -12.320 -1.993 5.834 1.00 5.53 H new ATOM 0 HB2 HIS A 44 -12.616 0.637 7.296 1.00 4.04 H new ATOM 0 HB3 HIS A 44 -13.514 0.242 5.844 1.00 4.04 H new ATOM 0 HD1 HIS A 44 -13.318 -2.889 7.524 1.00 11.21 H new ATOM 0 HD2 HIS A 44 -15.517 0.618 8.152 1.00 2.31 H new ATOM 0 HE1 HIS A 44 -15.303 -3.537 8.968 1.00 74.20 H new ATOM 728 N PRO A 45 -10.390 -1.187 4.320 1.00 52.33 N ATOM 729 CA PRO A 45 -9.335 -0.737 3.403 1.00 72.21 C ATOM 730 C PRO A 45 -9.606 0.598 2.725 1.00 10.22 C ATOM 731 O PRO A 45 -10.293 0.672 1.707 1.00 13.12 O ATOM 732 CB PRO A 45 -9.251 -1.856 2.352 1.00 54.33 C ATOM 733 CG PRO A 45 -10.345 -2.816 2.685 1.00 14.44 C ATOM 734 CD PRO A 45 -10.647 -2.617 4.139 1.00 3.15 C ATOM 0 HA PRO A 45 -8.412 -0.565 3.956 1.00 72.21 H new ATOM 0 HB2 PRO A 45 -9.376 -1.456 1.346 1.00 54.33 H new ATOM 0 HB3 PRO A 45 -8.278 -2.347 2.382 1.00 54.33 H new ATOM 0 HG2 PRO A 45 -11.228 -2.627 2.075 1.00 14.44 H new ATOM 0 HG3 PRO A 45 -10.035 -3.842 2.489 1.00 14.44 H new ATOM 0 HD2 PRO A 45 -11.678 -2.878 4.379 1.00 3.15 H new ATOM 0 HD3 PRO A 45 -10.007 -3.229 4.774 1.00 3.15 H new ATOM 742 N ARG A 46 -9.074 1.654 3.315 1.00 75.54 N ATOM 743 CA ARG A 46 -9.106 2.962 2.702 1.00 63.14 C ATOM 744 C ARG A 46 -7.808 3.158 1.935 1.00 43.04 C ATOM 745 O ARG A 46 -6.831 3.666 2.481 1.00 2.14 O ATOM 746 CB ARG A 46 -9.276 4.040 3.777 1.00 41.32 C ATOM 747 CG ARG A 46 -10.190 5.187 3.376 1.00 15.21 C ATOM 748 CD ARG A 46 -11.540 4.679 2.889 1.00 72.32 C ATOM 749 NE ARG A 46 -12.008 3.518 3.652 1.00 71.14 N ATOM 750 CZ ARG A 46 -13.287 3.245 3.897 1.00 1.53 C ATOM 751 NH1 ARG A 46 -14.237 4.119 3.584 1.00 75.50 N ATOM 752 NH2 ARG A 46 -13.610 2.104 4.489 1.00 52.11 N ATOM 0 H ARG A 46 -8.613 1.626 4.224 1.00 75.54 H new ATOM 0 HA ARG A 46 -9.950 3.042 2.016 1.00 63.14 H new ATOM 0 HB2 ARG A 46 -9.671 3.576 4.681 1.00 41.32 H new ATOM 0 HB3 ARG A 46 -8.295 4.444 4.028 1.00 41.32 H new ATOM 0 HG2 ARG A 46 -10.336 5.852 4.227 1.00 15.21 H new ATOM 0 HG3 ARG A 46 -9.716 5.774 2.590 1.00 15.21 H new ATOM 0 HD2 ARG A 46 -12.275 5.480 2.964 1.00 72.32 H new ATOM 0 HD3 ARG A 46 -11.466 4.412 1.835 1.00 72.32 H new ATOM 0 HE ARG A 46 -11.306 2.876 4.020 1.00 71.14 H new ATOM 0 HH11 ARG A 46 -13.989 5.009 3.152 1.00 75.50 H new ATOM 0 HH12 ARG A 46 -15.215 3.900 3.776 1.00 75.50 H new ATOM 0 HH21 ARG A 46 -12.880 1.442 4.753 1.00 52.11 H new ATOM 0 HH22 ARG A 46 -14.588 1.888 4.680 1.00 52.11 H new ATOM 766 N ILE A 47 -7.795 2.692 0.688 1.00 63.33 N ATOM 767 CA ILE A 47 -6.584 2.695 -0.127 1.00 10.14 C ATOM 768 C ILE A 47 -6.039 4.118 -0.317 1.00 3.13 C ATOM 769 O ILE A 47 -6.528 4.898 -1.138 1.00 2.32 O ATOM 770 CB ILE A 47 -6.825 2.002 -1.497 1.00 15.21 C ATOM 771 CG1 ILE A 47 -5.554 2.028 -2.357 1.00 12.11 C ATOM 772 CG2 ILE A 47 -8.004 2.626 -2.237 1.00 30.01 C ATOM 773 CD1 ILE A 47 -5.751 1.521 -3.771 1.00 64.23 C ATOM 0 H ILE A 47 -8.614 2.306 0.219 1.00 63.33 H new ATOM 0 HA ILE A 47 -5.828 2.121 0.409 1.00 10.14 H new ATOM 0 HB ILE A 47 -7.076 0.960 -1.301 1.00 15.21 H new ATOM 0 HG12 ILE A 47 -5.178 3.050 -2.399 1.00 12.11 H new ATOM 0 HG13 ILE A 47 -4.787 1.425 -1.870 1.00 12.11 H new ATOM 0 HG21 ILE A 47 -8.145 2.118 -3.191 1.00 30.01 H new ATOM 0 HG22 ILE A 47 -8.907 2.524 -1.635 1.00 30.01 H new ATOM 0 HG23 ILE A 47 -7.804 3.683 -2.415 1.00 30.01 H new ATOM 0 HD11 ILE A 47 -4.806 1.573 -4.311 1.00 64.23 H new ATOM 0 HD12 ILE A 47 -6.096 0.488 -3.742 1.00 64.23 H new ATOM 0 HD13 ILE A 47 -6.493 2.137 -4.278 1.00 64.23 H new ATOM 785 N GLY A 48 -5.032 4.454 0.477 1.00 62.22 N ATOM 786 CA GLY A 48 -4.462 5.782 0.435 1.00 42.33 C ATOM 787 C GLY A 48 -3.324 5.892 -0.555 1.00 1.55 C ATOM 788 O GLY A 48 -2.157 5.927 -0.169 1.00 10.45 O ATOM 0 H GLY A 48 -4.599 3.825 1.153 1.00 62.22 H new ATOM 0 HA2 GLY A 48 -5.239 6.499 0.172 1.00 42.33 H new ATOM 0 HA3 GLY A 48 -4.103 6.051 1.428 1.00 42.33 H new ATOM 792 N LEU A 49 -3.655 5.926 -1.835 1.00 13.33 N ATOM 793 CA LEU A 49 -2.647 6.095 -2.868 1.00 2.30 C ATOM 794 C LEU A 49 -2.195 7.549 -2.924 1.00 50.41 C ATOM 795 O LEU A 49 -2.982 8.445 -3.231 1.00 64.41 O ATOM 796 CB LEU A 49 -3.179 5.654 -4.234 1.00 24.43 C ATOM 797 CG LEU A 49 -2.198 5.835 -5.398 1.00 11.24 C ATOM 798 CD1 LEU A 49 -0.946 4.997 -5.189 1.00 21.30 C ATOM 799 CD2 LEU A 49 -2.862 5.478 -6.715 1.00 41.51 C ATOM 0 H LEU A 49 -4.610 5.839 -2.183 1.00 13.33 H new ATOM 0 HA LEU A 49 -1.794 5.465 -2.618 1.00 2.30 H new ATOM 0 HB2 LEU A 49 -3.461 4.603 -4.176 1.00 24.43 H new ATOM 0 HB3 LEU A 49 -4.087 6.216 -4.453 1.00 24.43 H new ATOM 0 HG LEU A 49 -1.903 6.884 -5.431 1.00 11.24 H new ATOM 0 HD11 LEU A 49 -0.266 5.143 -6.028 1.00 21.30 H new ATOM 0 HD12 LEU A 49 -0.454 5.303 -4.266 1.00 21.30 H new ATOM 0 HD13 LEU A 49 -1.220 3.944 -5.123 1.00 21.30 H new ATOM 0 HD21 LEU A 49 -2.150 5.613 -7.530 1.00 41.51 H new ATOM 0 HD22 LEU A 49 -3.190 4.439 -6.687 1.00 41.51 H new ATOM 0 HD23 LEU A 49 -3.724 6.126 -6.875 1.00 41.51 H new ATOM 811 N THR A 50 -0.932 7.777 -2.611 1.00 40.12 N ATOM 812 CA THR A 50 -0.370 9.112 -2.628 1.00 71.02 C ATOM 813 C THR A 50 0.269 9.404 -3.979 1.00 13.14 C ATOM 814 O THR A 50 1.284 8.807 -4.339 1.00 52.51 O ATOM 815 CB THR A 50 0.673 9.285 -1.509 1.00 20.41 C ATOM 816 OG1 THR A 50 0.076 8.978 -0.242 1.00 54.01 O ATOM 817 CG2 THR A 50 1.219 10.704 -1.481 1.00 62.14 C ATOM 0 H THR A 50 -0.273 7.047 -2.340 1.00 40.12 H new ATOM 0 HA THR A 50 -1.182 9.819 -2.458 1.00 71.02 H new ATOM 0 HB THR A 50 1.500 8.602 -1.706 1.00 20.41 H new ATOM 0 HG1 THR A 50 0.742 9.087 0.469 1.00 54.01 H new ATOM 0 HG21 THR A 50 1.953 10.796 -0.681 1.00 62.14 H new ATOM 0 HG22 THR A 50 1.693 10.930 -2.436 1.00 62.14 H new ATOM 0 HG23 THR A 50 0.402 11.405 -1.306 1.00 62.14 H new ATOM 825 N VAL A 51 -0.346 10.307 -4.726 1.00 32.12 N ATOM 826 CA VAL A 51 0.156 10.694 -6.032 1.00 21.34 C ATOM 827 C VAL A 51 -0.030 12.197 -6.244 1.00 50.33 C ATOM 828 O VAL A 51 -1.053 12.766 -5.850 1.00 52.34 O ATOM 829 CB VAL A 51 -0.547 9.896 -7.161 1.00 12.53 C ATOM 830 CG1 VAL A 51 -2.050 10.146 -7.161 1.00 55.13 C ATOM 831 CG2 VAL A 51 0.057 10.220 -8.521 1.00 24.13 C ATOM 0 H VAL A 51 -1.201 10.788 -4.446 1.00 32.12 H new ATOM 0 HA VAL A 51 1.220 10.461 -6.070 1.00 21.34 H new ATOM 0 HB VAL A 51 -0.385 8.836 -6.965 1.00 12.53 H new ATOM 0 HG11 VAL A 51 -2.514 9.573 -7.964 1.00 55.13 H new ATOM 0 HG12 VAL A 51 -2.470 9.837 -6.204 1.00 55.13 H new ATOM 0 HG13 VAL A 51 -2.242 11.208 -7.315 1.00 55.13 H new ATOM 0 HG21 VAL A 51 -0.456 9.646 -9.293 1.00 24.13 H new ATOM 0 HG22 VAL A 51 -0.056 11.285 -8.725 1.00 24.13 H new ATOM 0 HG23 VAL A 51 1.116 9.961 -8.520 1.00 24.13 H new ATOM 841 N ALA A 52 0.971 12.838 -6.835 1.00 31.42 N ATOM 842 CA ALA A 52 0.931 14.271 -7.079 1.00 74.33 C ATOM 843 C ALA A 52 1.469 14.585 -8.471 1.00 34.24 C ATOM 844 O ALA A 52 1.763 13.677 -9.244 1.00 74.23 O ATOM 845 CB ALA A 52 1.734 15.006 -6.016 1.00 23.51 C ATOM 0 H ALA A 52 1.825 12.382 -7.155 1.00 31.42 H new ATOM 0 HA ALA A 52 -0.104 14.609 -7.026 1.00 74.33 H new ATOM 0 HB1 ALA A 52 1.697 16.078 -6.209 1.00 23.51 H new ATOM 0 HB2 ALA A 52 1.311 14.799 -5.033 1.00 23.51 H new ATOM 0 HB3 ALA A 52 2.770 14.668 -6.044 1.00 23.51 H new ATOM 851 N LYS A 53 1.610 15.867 -8.785 1.00 74.10 N ATOM 852 CA LYS A 53 2.089 16.270 -10.103 1.00 72.01 C ATOM 853 C LYS A 53 3.598 16.520 -10.081 1.00 72.13 C ATOM 854 O LYS A 53 4.196 16.882 -11.095 1.00 31.21 O ATOM 855 CB LYS A 53 1.330 17.514 -10.590 1.00 60.22 C ATOM 856 CG LYS A 53 1.651 18.800 -9.837 1.00 3.43 C ATOM 857 CD LYS A 53 2.656 19.651 -10.599 1.00 11.21 C ATOM 858 CE LYS A 53 2.963 20.951 -9.877 1.00 53.23 C ATOM 859 NZ LYS A 53 3.819 21.843 -10.704 1.00 73.43 N ATOM 0 H LYS A 53 1.402 16.640 -8.152 1.00 74.10 H new ATOM 0 HA LYS A 53 1.898 15.457 -10.804 1.00 72.01 H new ATOM 0 HB2 LYS A 53 1.550 17.665 -11.647 1.00 60.22 H new ATOM 0 HB3 LYS A 53 0.260 17.322 -10.512 1.00 60.22 H new ATOM 0 HG2 LYS A 53 0.735 19.369 -9.679 1.00 3.43 H new ATOM 0 HG3 LYS A 53 2.050 18.557 -8.852 1.00 3.43 H new ATOM 0 HD2 LYS A 53 3.578 19.086 -10.737 1.00 11.21 H new ATOM 0 HD3 LYS A 53 2.265 19.871 -11.592 1.00 11.21 H new ATOM 0 HE2 LYS A 53 2.032 21.462 -9.633 1.00 53.23 H new ATOM 0 HE3 LYS A 53 3.465 20.735 -8.934 1.00 53.23 H new ATOM 0 HZ1 LYS A 53 4.010 22.722 -10.182 1.00 73.43 H new ATOM 0 HZ2 LYS A 53 4.717 21.364 -10.916 1.00 73.43 H new ATOM 0 HZ3 LYS A 53 3.329 22.068 -11.593 1.00 73.43 H new ATOM 873 N LYS A 54 4.207 16.315 -8.921 1.00 52.02 N ATOM 874 CA LYS A 54 5.644 16.511 -8.773 1.00 42.30 C ATOM 875 C LYS A 54 6.387 15.207 -9.042 1.00 62.14 C ATOM 876 O LYS A 54 7.584 15.206 -9.332 1.00 53.15 O ATOM 877 CB LYS A 54 5.975 17.038 -7.373 1.00 30.41 C ATOM 878 CG LYS A 54 5.576 16.099 -6.245 1.00 11.13 C ATOM 879 CD LYS A 54 5.925 16.683 -4.885 1.00 43.33 C ATOM 880 CE LYS A 54 7.420 16.929 -4.746 1.00 14.21 C ATOM 881 NZ LYS A 54 7.766 17.518 -3.427 1.00 73.13 N ATOM 0 H LYS A 54 3.731 16.014 -8.071 1.00 52.02 H new ATOM 0 HA LYS A 54 5.968 17.252 -9.503 1.00 42.30 H new ATOM 0 HB2 LYS A 54 7.047 17.227 -7.312 1.00 30.41 H new ATOM 0 HB3 LYS A 54 5.474 17.995 -7.229 1.00 30.41 H new ATOM 0 HG2 LYS A 54 4.505 15.904 -6.294 1.00 11.13 H new ATOM 0 HG3 LYS A 54 6.081 15.141 -6.371 1.00 11.13 H new ATOM 0 HD2 LYS A 54 5.387 17.620 -4.742 1.00 43.33 H new ATOM 0 HD3 LYS A 54 5.594 16.003 -4.101 1.00 43.33 H new ATOM 0 HE2 LYS A 54 7.956 15.989 -4.875 1.00 14.21 H new ATOM 0 HE3 LYS A 54 7.753 17.597 -5.540 1.00 14.21 H new ATOM 0 HZ1 LYS A 54 8.793 17.670 -3.373 1.00 73.13 H new ATOM 0 HZ2 LYS A 54 7.275 18.428 -3.314 1.00 73.13 H new ATOM 0 HZ3 LYS A 54 7.472 16.869 -2.669 1.00 73.13 H new ATOM 895 N ASN A 55 5.670 14.099 -8.930 1.00 71.34 N ATOM 896 CA ASN A 55 6.230 12.794 -9.250 1.00 24.31 C ATOM 897 C ASN A 55 5.592 12.251 -10.519 1.00 62.23 C ATOM 898 O ASN A 55 6.211 11.488 -11.262 1.00 33.31 O ATOM 899 CB ASN A 55 6.045 11.801 -8.093 1.00 30.33 C ATOM 900 CG ASN A 55 4.591 11.539 -7.743 1.00 15.45 C ATOM 901 OD1 ASN A 55 3.751 12.436 -7.796 1.00 2.33 O ATOM 902 ND2 ASN A 55 4.281 10.301 -7.393 1.00 10.44 N ATOM 0 H ASN A 55 4.699 14.077 -8.620 1.00 71.34 H new ATOM 0 HA ASN A 55 7.301 12.918 -9.411 1.00 24.31 H new ATOM 0 HB2 ASN A 55 6.522 10.857 -8.356 1.00 30.33 H new ATOM 0 HB3 ASN A 55 6.559 12.184 -7.211 1.00 30.33 H new ATOM 0 HD21 ASN A 55 3.318 10.064 -7.156 1.00 10.44 H new ATOM 0 HD22 ASN A 55 5.005 9.584 -7.361 1.00 10.44 H new ATOM 909 N VAL A 56 4.346 12.644 -10.753 1.00 23.40 N ATOM 910 CA VAL A 56 3.636 12.287 -11.969 1.00 1.42 C ATOM 911 C VAL A 56 3.102 13.547 -12.641 1.00 24.02 C ATOM 912 O VAL A 56 2.025 14.035 -12.303 1.00 63.31 O ATOM 913 CB VAL A 56 2.460 11.322 -11.687 1.00 5.04 C ATOM 914 CG1 VAL A 56 1.753 10.936 -12.977 1.00 64.42 C ATOM 915 CG2 VAL A 56 2.936 10.080 -10.946 1.00 2.31 C ATOM 0 H VAL A 56 3.803 13.217 -10.106 1.00 23.40 H new ATOM 0 HA VAL A 56 4.342 11.778 -12.626 1.00 1.42 H new ATOM 0 HB VAL A 56 1.747 11.845 -11.049 1.00 5.04 H new ATOM 0 HG11 VAL A 56 0.930 10.257 -12.752 1.00 64.42 H new ATOM 0 HG12 VAL A 56 1.363 11.832 -13.460 1.00 64.42 H new ATOM 0 HG13 VAL A 56 2.459 10.442 -13.645 1.00 64.42 H new ATOM 0 HG21 VAL A 56 2.089 9.420 -10.761 1.00 2.31 H new ATOM 0 HG22 VAL A 56 3.678 9.558 -11.550 1.00 2.31 H new ATOM 0 HG23 VAL A 56 3.383 10.372 -9.996 1.00 2.31 H new ATOM 925 N ARG A 57 3.871 14.081 -13.577 1.00 75.22 N ATOM 926 CA ARG A 57 3.481 15.290 -14.296 1.00 33.03 C ATOM 927 C ARG A 57 2.604 14.916 -15.491 1.00 50.40 C ATOM 928 O ARG A 57 2.695 15.505 -16.569 1.00 31.22 O ATOM 929 CB ARG A 57 4.736 16.041 -14.758 1.00 3.04 C ATOM 930 CG ARG A 57 4.480 17.489 -15.148 1.00 54.32 C ATOM 931 CD ARG A 57 5.756 18.186 -15.587 1.00 40.30 C ATOM 932 NE ARG A 57 5.548 19.621 -15.793 1.00 53.10 N ATOM 933 CZ ARG A 57 6.529 20.490 -16.023 1.00 4.44 C ATOM 934 NH1 ARG A 57 7.785 20.070 -16.127 1.00 24.54 N ATOM 935 NH2 ARG A 57 6.249 21.781 -16.149 1.00 0.11 N ATOM 0 H ARG A 57 4.773 13.697 -13.859 1.00 75.22 H new ATOM 0 HA ARG A 57 2.909 15.942 -13.636 1.00 33.03 H new ATOM 0 HB2 ARG A 57 5.477 16.016 -13.959 1.00 3.04 H new ATOM 0 HB3 ARG A 57 5.168 15.517 -15.610 1.00 3.04 H new ATOM 0 HG2 ARG A 57 3.749 17.525 -15.956 1.00 54.32 H new ATOM 0 HG3 ARG A 57 4.046 18.023 -14.302 1.00 54.32 H new ATOM 0 HD2 ARG A 57 6.530 18.035 -14.835 1.00 40.30 H new ATOM 0 HD3 ARG A 57 6.117 17.735 -16.511 1.00 40.30 H new ATOM 0 HE ARG A 57 4.592 19.976 -15.758 1.00 53.10 H new ATOM 0 HH11 ARG A 57 8.001 19.078 -16.031 1.00 24.54 H new ATOM 0 HH12 ARG A 57 8.534 20.740 -16.303 1.00 24.54 H new ATOM 0 HH21 ARG A 57 5.285 22.104 -16.069 1.00 0.11 H new ATOM 0 HH22 ARG A 57 6.998 22.450 -16.325 1.00 0.11 H new ATOM 949 N ARG A 58 1.738 13.935 -15.279 1.00 34.12 N ATOM 950 CA ARG A 58 0.922 13.382 -16.344 1.00 42.03 C ATOM 951 C ARG A 58 -0.507 13.149 -15.872 1.00 34.32 C ATOM 952 O ARG A 58 -0.730 12.602 -14.795 1.00 44.32 O ATOM 953 CB ARG A 58 1.521 12.064 -16.827 1.00 0.31 C ATOM 954 CG ARG A 58 2.798 12.218 -17.633 1.00 42.34 C ATOM 955 CD ARG A 58 2.575 13.104 -18.846 1.00 72.20 C ATOM 956 NE ARG A 58 3.581 12.879 -19.875 1.00 33.22 N ATOM 957 CZ ARG A 58 3.476 13.329 -21.122 1.00 72.00 C ATOM 958 NH1 ARG A 58 2.521 14.196 -21.442 1.00 53.32 N ATOM 959 NH2 ARG A 58 4.351 12.951 -22.041 1.00 64.35 N ATOM 0 H ARG A 58 1.584 13.504 -14.368 1.00 34.12 H new ATOM 0 HA ARG A 58 0.903 14.099 -17.165 1.00 42.03 H new ATOM 0 HB2 ARG A 58 1.725 11.432 -15.962 1.00 0.31 H new ATOM 0 HB3 ARG A 58 0.781 11.543 -17.435 1.00 0.31 H new ATOM 0 HG2 ARG A 58 3.579 12.646 -17.005 1.00 42.34 H new ATOM 0 HG3 ARG A 58 3.149 11.238 -17.955 1.00 42.34 H new ATOM 0 HD2 ARG A 58 1.584 12.912 -19.259 1.00 72.20 H new ATOM 0 HD3 ARG A 58 2.596 14.150 -18.540 1.00 72.20 H new ATOM 0 HE ARG A 58 4.414 12.346 -19.625 1.00 33.22 H new ATOM 0 HH11 ARG A 58 1.866 14.518 -20.730 1.00 53.32 H new ATOM 0 HH12 ARG A 58 2.444 14.539 -22.399 1.00 53.32 H new ATOM 0 HH21 ARG A 58 5.108 12.313 -21.793 1.00 64.35 H new ATOM 0 HH22 ARG A 58 4.268 13.297 -22.997 1.00 64.35 H new ATOM 973 N ALA A 59 -1.467 13.562 -16.690 1.00 11.32 N ATOM 974 CA ALA A 59 -2.877 13.420 -16.355 1.00 70.14 C ATOM 975 C ALA A 59 -3.344 11.974 -16.497 1.00 31.13 C ATOM 976 O ALA A 59 -3.945 11.417 -15.579 1.00 60.20 O ATOM 977 CB ALA A 59 -3.722 14.334 -17.229 1.00 42.21 C ATOM 0 H ALA A 59 -1.293 14.000 -17.594 1.00 11.32 H new ATOM 0 HA ALA A 59 -3.001 13.709 -15.311 1.00 70.14 H new ATOM 0 HB1 ALA A 59 -4.774 14.217 -16.967 1.00 42.21 H new ATOM 0 HB2 ALA A 59 -3.421 15.370 -17.070 1.00 42.21 H new ATOM 0 HB3 ALA A 59 -3.577 14.071 -18.277 1.00 42.21 H new ATOM 983 N HIS A 60 -3.061 11.362 -17.644 1.00 31.12 N ATOM 984 CA HIS A 60 -3.535 9.999 -17.911 1.00 53.54 C ATOM 985 C HIS A 60 -2.809 9.011 -17.016 1.00 62.54 C ATOM 986 O HIS A 60 -3.423 8.180 -16.350 1.00 73.21 O ATOM 987 CB HIS A 60 -3.313 9.569 -19.372 1.00 2.51 C ATOM 988 CG HIS A 60 -2.957 10.670 -20.319 1.00 21.22 C ATOM 989 ND1 HIS A 60 -1.659 11.066 -20.545 1.00 31.15 N ATOM 990 CD2 HIS A 60 -3.730 11.435 -21.122 1.00 71.43 C ATOM 991 CE1 HIS A 60 -1.648 12.034 -21.441 1.00 24.12 C ATOM 992 NE2 HIS A 60 -2.890 12.275 -21.812 1.00 65.51 N ATOM 0 H HIS A 60 -2.513 11.778 -18.397 1.00 31.12 H new ATOM 0 HA HIS A 60 -4.606 10.001 -17.710 1.00 53.54 H new ATOM 0 HB2 HIS A 60 -2.520 8.822 -19.396 1.00 2.51 H new ATOM 0 HB3 HIS A 60 -4.220 9.083 -19.731 1.00 2.51 H new ATOM 0 HD1 HIS A 60 -0.835 10.673 -20.091 1.00 31.15 H new ATOM 0 HD2 HIS A 60 -4.806 11.394 -21.205 1.00 71.43 H new ATOM 0 HE1 HIS A 60 -0.770 12.543 -21.809 1.00 24.12 H new ATOM 1001 N GLU A 61 -1.490 9.128 -17.010 1.00 72.54 N ATOM 1002 CA GLU A 61 -0.618 8.213 -16.287 1.00 71.10 C ATOM 1003 C GLU A 61 -0.939 8.205 -14.796 1.00 33.42 C ATOM 1004 O GLU A 61 -0.859 7.163 -14.146 1.00 51.44 O ATOM 1005 CB GLU A 61 0.849 8.600 -16.521 1.00 62.23 C ATOM 1006 CG GLU A 61 1.335 8.398 -17.959 1.00 30.32 C ATOM 1007 CD GLU A 61 0.514 9.147 -19.000 1.00 61.20 C ATOM 1008 OE1 GLU A 61 0.153 10.322 -18.763 1.00 1.15 O ATOM 1009 OE2 GLU A 61 0.192 8.558 -20.048 1.00 10.11 O ATOM 0 H GLU A 61 -0.991 9.864 -17.509 1.00 72.54 H new ATOM 0 HA GLU A 61 -0.787 7.205 -16.666 1.00 71.10 H new ATOM 0 HB2 GLU A 61 0.984 9.647 -16.249 1.00 62.23 H new ATOM 0 HB3 GLU A 61 1.478 8.013 -15.852 1.00 62.23 H new ATOM 0 HG2 GLU A 61 2.374 8.720 -18.029 1.00 30.32 H new ATOM 0 HG3 GLU A 61 1.315 7.333 -18.192 1.00 30.32 H new ATOM 1016 N ARG A 62 -1.320 9.365 -14.265 1.00 12.43 N ATOM 1017 CA ARG A 62 -1.735 9.472 -12.867 1.00 12.30 C ATOM 1018 C ARG A 62 -2.933 8.568 -12.604 1.00 71.23 C ATOM 1019 O ARG A 62 -2.971 7.829 -11.620 1.00 12.11 O ATOM 1020 CB ARG A 62 -2.109 10.916 -12.521 1.00 5.11 C ATOM 1021 CG ARG A 62 -2.553 11.093 -11.078 1.00 50.02 C ATOM 1022 CD ARG A 62 -3.284 12.407 -10.863 1.00 34.31 C ATOM 1023 NE ARG A 62 -2.429 13.570 -11.087 1.00 74.51 N ATOM 1024 CZ ARG A 62 -2.413 14.636 -10.290 1.00 71.45 C ATOM 1025 NH1 ARG A 62 -3.168 14.665 -9.195 1.00 73.34 N ATOM 1026 NH2 ARG A 62 -1.645 15.674 -10.586 1.00 74.22 N ATOM 0 H ARG A 62 -1.350 10.244 -14.781 1.00 12.43 H new ATOM 0 HA ARG A 62 -0.898 9.162 -12.242 1.00 12.30 H new ATOM 0 HB2 ARG A 62 -1.252 11.562 -12.712 1.00 5.11 H new ATOM 0 HB3 ARG A 62 -2.910 11.245 -13.183 1.00 5.11 H new ATOM 0 HG2 ARG A 62 -3.204 10.266 -10.795 1.00 50.02 H new ATOM 0 HG3 ARG A 62 -1.682 11.051 -10.423 1.00 50.02 H new ATOM 0 HD2 ARG A 62 -4.141 12.456 -11.535 1.00 34.31 H new ATOM 0 HD3 ARG A 62 -3.675 12.439 -9.846 1.00 34.31 H new ATOM 0 HE ARG A 62 -1.811 13.565 -11.898 1.00 74.51 H new ATOM 0 HH11 ARG A 62 -3.762 13.869 -8.964 1.00 73.34 H new ATOM 0 HH12 ARG A 62 -3.153 15.484 -8.587 1.00 73.34 H new ATOM 0 HH21 ARG A 62 -1.065 15.657 -11.425 1.00 74.22 H new ATOM 0 HH22 ARG A 62 -1.633 16.491 -9.975 1.00 74.22 H new ATOM 1040 N ASN A 63 -3.902 8.622 -13.509 1.00 42.43 N ATOM 1041 CA ASN A 63 -5.127 7.849 -13.366 1.00 20.43 C ATOM 1042 C ASN A 63 -4.867 6.365 -13.569 1.00 61.11 C ATOM 1043 O ASN A 63 -5.519 5.533 -12.946 1.00 20.02 O ATOM 1044 CB ASN A 63 -6.202 8.339 -14.340 1.00 63.03 C ATOM 1045 CG ASN A 63 -6.870 9.618 -13.870 1.00 75.33 C ATOM 1046 OD1 ASN A 63 -7.861 9.577 -13.142 1.00 30.53 O ATOM 1047 ND2 ASN A 63 -6.337 10.761 -14.274 1.00 53.32 N ATOM 0 H ASN A 63 -3.862 9.195 -14.352 1.00 42.43 H new ATOM 0 HA ASN A 63 -5.491 7.996 -12.349 1.00 20.43 H new ATOM 0 HB2 ASN A 63 -5.752 8.506 -15.319 1.00 63.03 H new ATOM 0 HB3 ASN A 63 -6.957 7.563 -14.464 1.00 63.03 H new ATOM 0 HD21 ASN A 63 -6.749 11.647 -13.982 1.00 53.32 H new ATOM 0 HD22 ASN A 63 -5.515 10.755 -14.878 1.00 53.32 H new ATOM 1054 N ARG A 64 -3.905 6.033 -14.428 1.00 52.02 N ATOM 1055 CA ARG A 64 -3.544 4.635 -14.657 1.00 50.42 C ATOM 1056 C ARG A 64 -3.054 3.998 -13.363 1.00 52.51 C ATOM 1057 O ARG A 64 -3.411 2.864 -13.046 1.00 31.22 O ATOM 1058 CB ARG A 64 -2.462 4.500 -15.734 1.00 4.51 C ATOM 1059 CG ARG A 64 -2.820 5.157 -17.055 1.00 72.41 C ATOM 1060 CD ARG A 64 -1.990 4.611 -18.206 1.00 63.52 C ATOM 1061 NE ARG A 64 -0.550 4.655 -17.946 1.00 62.41 N ATOM 1062 CZ ARG A 64 0.374 4.697 -18.910 1.00 71.04 C ATOM 1063 NH1 ARG A 64 0.004 4.795 -20.182 1.00 53.02 N ATOM 1064 NH2 ARG A 64 1.663 4.649 -18.607 1.00 24.42 N ATOM 0 H ARG A 64 -3.366 6.706 -14.973 1.00 52.02 H new ATOM 0 HA ARG A 64 -4.439 4.119 -15.005 1.00 50.42 H new ATOM 0 HB2 ARG A 64 -1.536 4.938 -15.361 1.00 4.51 H new ATOM 0 HB3 ARG A 64 -2.267 3.442 -15.907 1.00 4.51 H new ATOM 0 HG2 ARG A 64 -3.878 4.998 -17.264 1.00 72.41 H new ATOM 0 HG3 ARG A 64 -2.668 6.234 -16.977 1.00 72.41 H new ATOM 0 HD2 ARG A 64 -2.286 3.581 -18.403 1.00 63.52 H new ATOM 0 HD3 ARG A 64 -2.208 5.184 -19.107 1.00 63.52 H new ATOM 0 HE ARG A 64 -0.235 4.654 -16.976 1.00 62.41 H new ATOM 0 HH11 ARG A 64 -0.986 4.838 -20.423 1.00 53.02 H new ATOM 0 HH12 ARG A 64 0.710 4.827 -20.917 1.00 53.02 H new ATOM 0 HH21 ARG A 64 1.956 4.579 -17.632 1.00 24.42 H new ATOM 0 HH22 ARG A 64 2.363 4.682 -19.348 1.00 24.42 H new ATOM 1078 N ILE A 65 -2.254 4.747 -12.613 1.00 13.43 N ATOM 1079 CA ILE A 65 -1.728 4.274 -11.339 1.00 14.55 C ATOM 1080 C ILE A 65 -2.863 4.074 -10.336 1.00 3.35 C ATOM 1081 O ILE A 65 -2.909 3.071 -9.620 1.00 12.32 O ATOM 1082 CB ILE A 65 -0.690 5.261 -10.758 1.00 53.54 C ATOM 1083 CG1 ILE A 65 0.444 5.500 -11.763 1.00 4.51 C ATOM 1084 CG2 ILE A 65 -0.132 4.748 -9.434 1.00 35.22 C ATOM 1085 CD1 ILE A 65 1.179 4.239 -12.176 1.00 74.30 C ATOM 0 H ILE A 65 -1.955 5.688 -12.867 1.00 13.43 H new ATOM 0 HA ILE A 65 -1.233 3.320 -11.520 1.00 14.55 H new ATOM 0 HB ILE A 65 -1.192 6.210 -10.569 1.00 53.54 H new ATOM 0 HG12 ILE A 65 0.032 5.976 -12.653 1.00 4.51 H new ATOM 0 HG13 ILE A 65 1.159 6.199 -11.329 1.00 4.51 H new ATOM 0 HG21 ILE A 65 0.596 5.460 -9.046 1.00 35.22 H new ATOM 0 HG22 ILE A 65 -0.945 4.633 -8.717 1.00 35.22 H new ATOM 0 HG23 ILE A 65 0.352 3.784 -9.592 1.00 35.22 H new ATOM 0 HD11 ILE A 65 1.965 4.492 -12.887 1.00 74.30 H new ATOM 0 HD12 ILE A 65 1.622 3.772 -11.297 1.00 74.30 H new ATOM 0 HD13 ILE A 65 0.479 3.545 -12.641 1.00 74.30 H new ATOM 1097 N LYS A 66 -3.786 5.032 -10.305 1.00 53.55 N ATOM 1098 CA LYS A 66 -4.935 4.964 -9.407 1.00 13.44 C ATOM 1099 C LYS A 66 -5.842 3.793 -9.772 1.00 64.03 C ATOM 1100 O LYS A 66 -6.345 3.094 -8.899 1.00 61.14 O ATOM 1101 CB LYS A 66 -5.725 6.279 -9.440 1.00 33.35 C ATOM 1102 CG LYS A 66 -4.932 7.475 -8.933 1.00 62.51 C ATOM 1103 CD LYS A 66 -5.749 8.757 -8.962 1.00 14.11 C ATOM 1104 CE LYS A 66 -6.946 8.691 -8.023 1.00 51.03 C ATOM 1105 NZ LYS A 66 -7.719 9.960 -8.027 1.00 53.24 N ATOM 0 H LYS A 66 -3.760 5.866 -10.892 1.00 53.55 H new ATOM 0 HA LYS A 66 -4.562 4.807 -8.395 1.00 13.44 H new ATOM 0 HB2 LYS A 66 -6.048 6.474 -10.463 1.00 33.35 H new ATOM 0 HB3 LYS A 66 -6.626 6.168 -8.837 1.00 33.35 H new ATOM 0 HG2 LYS A 66 -4.597 7.282 -7.914 1.00 62.51 H new ATOM 0 HG3 LYS A 66 -4.038 7.602 -9.543 1.00 62.51 H new ATOM 0 HD2 LYS A 66 -5.114 9.598 -8.682 1.00 14.11 H new ATOM 0 HD3 LYS A 66 -6.095 8.943 -9.979 1.00 14.11 H new ATOM 0 HE2 LYS A 66 -7.596 7.868 -8.320 1.00 51.03 H new ATOM 0 HE3 LYS A 66 -6.603 8.477 -7.011 1.00 51.03 H new ATOM 0 HZ1 LYS A 66 -8.526 9.877 -7.376 1.00 53.24 H new ATOM 0 HZ2 LYS A 66 -7.105 10.741 -7.720 1.00 53.24 H new ATOM 0 HZ3 LYS A 66 -8.068 10.151 -8.988 1.00 53.24 H new ATOM 1119 N ARG A 67 -6.035 3.581 -11.069 1.00 64.52 N ATOM 1120 CA ARG A 67 -6.862 2.481 -11.555 1.00 25.13 C ATOM 1121 C ARG A 67 -6.234 1.133 -11.229 1.00 30.41 C ATOM 1122 O ARG A 67 -6.896 0.254 -10.680 1.00 63.34 O ATOM 1123 CB ARG A 67 -7.068 2.601 -13.065 1.00 13.11 C ATOM 1124 CG ARG A 67 -8.014 3.717 -13.469 1.00 13.52 C ATOM 1125 CD ARG A 67 -7.932 4.000 -14.959 1.00 60.34 C ATOM 1126 NE ARG A 67 -8.086 2.790 -15.763 1.00 63.14 N ATOM 1127 CZ ARG A 67 -8.019 2.766 -17.092 1.00 41.13 C ATOM 1128 NH1 ARG A 67 -7.856 3.893 -17.774 1.00 2.31 N ATOM 1129 NH2 ARG A 67 -8.127 1.611 -17.738 1.00 60.04 N ATOM 0 H ARG A 67 -5.629 4.158 -11.805 1.00 64.52 H new ATOM 0 HA ARG A 67 -7.827 2.542 -11.052 1.00 25.13 H new ATOM 0 HB2 ARG A 67 -6.102 2.766 -13.542 1.00 13.11 H new ATOM 0 HB3 ARG A 67 -7.454 1.655 -13.446 1.00 13.11 H new ATOM 0 HG2 ARG A 67 -9.036 3.444 -13.205 1.00 13.52 H new ATOM 0 HG3 ARG A 67 -7.771 4.622 -12.911 1.00 13.52 H new ATOM 0 HD2 ARG A 67 -8.706 4.717 -15.233 1.00 60.34 H new ATOM 0 HD3 ARG A 67 -6.972 4.465 -15.186 1.00 60.34 H new ATOM 0 HE ARG A 67 -8.255 1.910 -15.276 1.00 63.14 H new ATOM 0 HH11 ARG A 67 -7.782 4.782 -17.280 1.00 2.31 H new ATOM 0 HH12 ARG A 67 -7.805 3.870 -18.792 1.00 2.31 H new ATOM 0 HH21 ARG A 67 -8.261 0.745 -17.216 1.00 60.04 H new ATOM 0 HH22 ARG A 67 -8.076 1.590 -18.757 1.00 60.04 H new ATOM 1143 N LEU A 68 -4.957 0.985 -11.564 1.00 14.22 N ATOM 1144 CA LEU A 68 -4.241 -0.273 -11.370 1.00 3.30 C ATOM 1145 C LEU A 68 -4.295 -0.717 -9.907 1.00 75.41 C ATOM 1146 O LEU A 68 -4.628 -1.866 -9.610 1.00 22.14 O ATOM 1147 CB LEU A 68 -2.783 -0.115 -11.848 1.00 20.22 C ATOM 1148 CG LEU A 68 -1.918 -1.390 -11.882 1.00 41.11 C ATOM 1149 CD1 LEU A 68 -1.340 -1.705 -10.510 1.00 25.45 C ATOM 1150 CD2 LEU A 68 -2.723 -2.574 -12.401 1.00 3.04 C ATOM 0 H LEU A 68 -4.391 1.727 -11.975 1.00 14.22 H new ATOM 0 HA LEU A 68 -4.725 -1.050 -11.962 1.00 3.30 H new ATOM 0 HB2 LEU A 68 -2.799 0.311 -12.851 1.00 20.22 H new ATOM 0 HB3 LEU A 68 -2.291 0.612 -11.201 1.00 20.22 H new ATOM 0 HG LEU A 68 -1.088 -1.206 -12.564 1.00 41.11 H new ATOM 0 HD11 LEU A 68 -0.735 -2.610 -10.569 1.00 25.45 H new ATOM 0 HD12 LEU A 68 -0.718 -0.874 -10.178 1.00 25.45 H new ATOM 0 HD13 LEU A 68 -2.152 -1.857 -9.799 1.00 25.45 H new ATOM 0 HD21 LEU A 68 -2.093 -3.463 -12.417 1.00 3.04 H new ATOM 0 HD22 LEU A 68 -3.578 -2.747 -11.748 1.00 3.04 H new ATOM 0 HD23 LEU A 68 -3.075 -2.361 -13.410 1.00 3.04 H new ATOM 1162 N THR A 69 -3.986 0.198 -9.000 1.00 62.22 N ATOM 1163 CA THR A 69 -3.950 -0.122 -7.582 1.00 72.02 C ATOM 1164 C THR A 69 -5.353 -0.400 -7.041 1.00 34.43 C ATOM 1165 O THR A 69 -5.612 -1.467 -6.477 1.00 2.22 O ATOM 1166 CB THR A 69 -3.293 1.018 -6.775 1.00 63.03 C ATOM 1167 OG1 THR A 69 -3.862 2.278 -7.151 1.00 50.43 O ATOM 1168 CG2 THR A 69 -1.790 1.046 -7.000 1.00 33.35 C ATOM 0 H THR A 69 -3.757 1.167 -9.221 1.00 62.22 H new ATOM 0 HA THR A 69 -3.350 -1.025 -7.467 1.00 72.02 H new ATOM 0 HB THR A 69 -3.481 0.837 -5.717 1.00 63.03 H new ATOM 0 HG1 THR A 69 -3.432 2.600 -7.971 1.00 50.43 H new ATOM 0 HG21 THR A 69 -1.350 1.858 -6.421 1.00 33.35 H new ATOM 0 HG22 THR A 69 -1.357 0.098 -6.682 1.00 33.35 H new ATOM 0 HG23 THR A 69 -1.583 1.203 -8.059 1.00 33.35 H new ATOM 1176 N ARG A 70 -6.259 0.547 -7.255 1.00 20.52 N ATOM 1177 CA ARG A 70 -7.622 0.463 -6.731 1.00 35.25 C ATOM 1178 C ARG A 70 -8.356 -0.777 -7.248 1.00 42.10 C ATOM 1179 O ARG A 70 -9.196 -1.347 -6.552 1.00 64.44 O ATOM 1180 CB ARG A 70 -8.402 1.730 -7.103 1.00 52.41 C ATOM 1181 CG ARG A 70 -9.838 1.747 -6.607 1.00 35.32 C ATOM 1182 CD ARG A 70 -10.548 3.028 -7.016 1.00 20.21 C ATOM 1183 NE ARG A 70 -10.662 3.164 -8.470 1.00 34.32 N ATOM 1184 CZ ARG A 70 -10.933 4.314 -9.089 1.00 72.22 C ATOM 1185 NH1 ARG A 70 -11.073 5.435 -8.387 1.00 14.01 N ATOM 1186 NH2 ARG A 70 -11.065 4.345 -10.411 1.00 53.51 N ATOM 0 H ARG A 70 -6.073 1.393 -7.794 1.00 20.52 H new ATOM 0 HA ARG A 70 -7.557 0.378 -5.646 1.00 35.25 H new ATOM 0 HB2 ARG A 70 -7.879 2.597 -6.698 1.00 52.41 H new ATOM 0 HB3 ARG A 70 -8.403 1.837 -8.188 1.00 52.41 H new ATOM 0 HG2 ARG A 70 -10.374 0.887 -7.009 1.00 35.32 H new ATOM 0 HG3 ARG A 70 -9.851 1.652 -5.521 1.00 35.32 H new ATOM 0 HD2 ARG A 70 -11.544 3.045 -6.573 1.00 20.21 H new ATOM 0 HD3 ARG A 70 -10.006 3.884 -6.615 1.00 20.21 H new ATOM 0 HE ARG A 70 -10.526 2.331 -9.042 1.00 34.32 H new ATOM 0 HH11 ARG A 70 -10.973 5.417 -7.372 1.00 14.01 H new ATOM 0 HH12 ARG A 70 -11.280 6.313 -8.864 1.00 14.01 H new ATOM 0 HH21 ARG A 70 -10.959 3.488 -10.954 1.00 53.51 H new ATOM 0 HH22 ARG A 70 -11.272 5.226 -10.882 1.00 53.51 H new ATOM 1200 N GLU A 71 -8.030 -1.197 -8.462 1.00 10.14 N ATOM 1201 CA GLU A 71 -8.717 -2.320 -9.086 1.00 0.13 C ATOM 1202 C GLU A 71 -8.165 -3.655 -8.587 1.00 73.42 C ATOM 1203 O GLU A 71 -8.841 -4.680 -8.653 1.00 53.03 O ATOM 1204 CB GLU A 71 -8.584 -2.236 -10.610 1.00 54.13 C ATOM 1205 CG GLU A 71 -9.564 -3.116 -11.363 1.00 71.31 C ATOM 1206 CD GLU A 71 -11.003 -2.735 -11.087 1.00 30.32 C ATOM 1207 OE1 GLU A 71 -11.550 -3.170 -10.053 1.00 22.32 O ATOM 1208 OE2 GLU A 71 -11.591 -1.987 -11.897 1.00 75.54 O ATOM 0 H GLU A 71 -7.296 -0.779 -9.034 1.00 10.14 H new ATOM 0 HA GLU A 71 -9.770 -2.265 -8.811 1.00 0.13 H new ATOM 0 HB2 GLU A 71 -8.727 -1.201 -10.921 1.00 54.13 H new ATOM 0 HB3 GLU A 71 -7.569 -2.516 -10.892 1.00 54.13 H new ATOM 0 HG2 GLU A 71 -9.369 -3.041 -12.433 1.00 71.31 H new ATOM 0 HG3 GLU A 71 -9.405 -4.157 -11.082 1.00 71.31 H new ATOM 1215 N SER A 72 -6.943 -3.641 -8.076 1.00 32.11 N ATOM 1216 CA SER A 72 -6.288 -4.875 -7.671 1.00 33.13 C ATOM 1217 C SER A 72 -6.397 -5.114 -6.164 1.00 53.55 C ATOM 1218 O SER A 72 -6.707 -6.224 -5.733 1.00 53.43 O ATOM 1219 CB SER A 72 -4.825 -4.845 -8.104 1.00 2.52 C ATOM 1220 OG SER A 72 -4.722 -4.596 -9.498 1.00 61.22 O ATOM 0 H SER A 72 -6.389 -2.797 -7.933 1.00 32.11 H new ATOM 0 HA SER A 72 -6.797 -5.704 -8.163 1.00 33.13 H new ATOM 0 HB2 SER A 72 -4.292 -4.072 -7.551 1.00 2.52 H new ATOM 0 HB3 SER A 72 -4.349 -5.795 -7.863 1.00 2.52 H new ATOM 0 HG SER A 72 -4.682 -3.630 -9.656 1.00 61.22 H new ATOM 1226 N PHE A 73 -6.161 -4.072 -5.368 1.00 43.44 N ATOM 1227 CA PHE A 73 -6.175 -4.200 -3.908 1.00 22.24 C ATOM 1228 C PHE A 73 -7.531 -4.680 -3.398 1.00 14.14 C ATOM 1229 O PHE A 73 -7.608 -5.476 -2.465 1.00 11.44 O ATOM 1230 CB PHE A 73 -5.806 -2.873 -3.243 1.00 64.00 C ATOM 1231 CG PHE A 73 -4.333 -2.578 -3.278 1.00 61.02 C ATOM 1232 CD1 PHE A 73 -3.440 -3.381 -2.587 1.00 3.11 C ATOM 1233 CD2 PHE A 73 -3.842 -1.502 -3.996 1.00 43.30 C ATOM 1234 CE1 PHE A 73 -2.087 -3.118 -2.614 1.00 73.44 C ATOM 1235 CE2 PHE A 73 -2.488 -1.232 -4.027 1.00 3.03 C ATOM 1236 CZ PHE A 73 -1.609 -2.041 -3.335 1.00 13.52 C ATOM 0 H PHE A 73 -5.958 -3.131 -5.706 1.00 43.44 H new ATOM 0 HA PHE A 73 -5.429 -4.949 -3.642 1.00 22.24 H new ATOM 0 HB2 PHE A 73 -6.343 -2.065 -3.739 1.00 64.00 H new ATOM 0 HB3 PHE A 73 -6.141 -2.889 -2.206 1.00 64.00 H new ATOM 0 HD1 PHE A 73 -3.808 -4.223 -2.020 1.00 3.11 H new ATOM 0 HD2 PHE A 73 -4.526 -0.866 -4.539 1.00 43.30 H new ATOM 0 HE1 PHE A 73 -1.402 -3.753 -2.072 1.00 73.44 H new ATOM 0 HE2 PHE A 73 -2.117 -0.389 -4.592 1.00 3.03 H new ATOM 0 HZ PHE A 73 -0.550 -1.832 -3.357 1.00 13.52 H new ATOM 1246 N ARG A 74 -8.595 -4.210 -4.031 1.00 22.14 N ATOM 1247 CA ARG A 74 -9.947 -4.548 -3.602 1.00 72.54 C ATOM 1248 C ARG A 74 -10.285 -6.006 -3.918 1.00 30.04 C ATOM 1249 O ARG A 74 -11.009 -6.665 -3.172 1.00 40.14 O ATOM 1250 CB ARG A 74 -10.958 -3.613 -4.272 1.00 73.44 C ATOM 1251 CG ARG A 74 -12.406 -3.944 -3.958 1.00 52.13 C ATOM 1252 CD ARG A 74 -13.353 -2.969 -4.633 1.00 43.11 C ATOM 1253 NE ARG A 74 -14.756 -3.316 -4.410 1.00 35.13 N ATOM 1254 CZ ARG A 74 -15.732 -2.416 -4.305 1.00 13.21 C ATOM 1255 NH1 ARG A 74 -15.453 -1.118 -4.355 1.00 65.40 N ATOM 1256 NH2 ARG A 74 -16.988 -2.810 -4.141 1.00 22.44 N ATOM 0 H ARG A 74 -8.551 -3.594 -4.843 1.00 22.14 H new ATOM 0 HA ARG A 74 -10.000 -4.420 -2.521 1.00 72.54 H new ATOM 0 HB2 ARG A 74 -10.754 -2.589 -3.959 1.00 73.44 H new ATOM 0 HB3 ARG A 74 -10.813 -3.651 -5.352 1.00 73.44 H new ATOM 0 HG2 ARG A 74 -12.629 -4.959 -4.288 1.00 52.13 H new ATOM 0 HG3 ARG A 74 -12.562 -3.918 -2.879 1.00 52.13 H new ATOM 0 HD2 ARG A 74 -13.165 -1.963 -4.257 1.00 43.11 H new ATOM 0 HD3 ARG A 74 -13.151 -2.951 -5.704 1.00 43.11 H new ATOM 0 HE ARG A 74 -15.001 -4.303 -4.330 1.00 35.13 H new ATOM 0 HH11 ARG A 74 -14.489 -0.808 -4.474 1.00 65.40 H new ATOM 0 HH12 ARG A 74 -16.203 -0.432 -4.274 1.00 65.40 H new ATOM 0 HH21 ARG A 74 -17.209 -3.805 -4.095 1.00 22.44 H new ATOM 0 HH22 ARG A 74 -17.733 -2.118 -4.061 1.00 22.44 H new ATOM 1270 N LEU A 75 -9.732 -6.517 -5.006 1.00 42.01 N ATOM 1271 CA LEU A 75 -10.106 -7.838 -5.498 1.00 31.45 C ATOM 1272 C LEU A 75 -9.277 -8.949 -4.869 1.00 53.43 C ATOM 1273 O LEU A 75 -9.453 -10.122 -5.199 1.00 35.43 O ATOM 1274 CB LEU A 75 -10.002 -7.894 -7.025 1.00 3.11 C ATOM 1275 CG LEU A 75 -11.250 -7.427 -7.788 1.00 31.15 C ATOM 1276 CD1 LEU A 75 -12.437 -8.320 -7.459 1.00 71.12 C ATOM 1277 CD2 LEU A 75 -11.576 -5.975 -7.473 1.00 53.24 C ATOM 0 H LEU A 75 -9.024 -6.041 -5.566 1.00 42.01 H new ATOM 0 HA LEU A 75 -11.142 -8.004 -5.204 1.00 31.45 H new ATOM 0 HB2 LEU A 75 -9.156 -7.282 -7.337 1.00 3.11 H new ATOM 0 HB3 LEU A 75 -9.779 -8.920 -7.320 1.00 3.11 H new ATOM 0 HG LEU A 75 -11.039 -7.501 -8.855 1.00 31.15 H new ATOM 0 HD11 LEU A 75 -13.314 -7.976 -8.007 1.00 71.12 H new ATOM 0 HD12 LEU A 75 -12.210 -9.347 -7.745 1.00 71.12 H new ATOM 0 HD13 LEU A 75 -12.639 -8.277 -6.389 1.00 71.12 H new ATOM 0 HD21 LEU A 75 -12.464 -5.673 -8.028 1.00 53.24 H new ATOM 0 HD22 LEU A 75 -11.762 -5.867 -6.404 1.00 53.24 H new ATOM 0 HD23 LEU A 75 -10.736 -5.343 -7.761 1.00 53.24 H new ATOM 1289 N ARG A 76 -8.380 -8.596 -3.960 1.00 70.44 N ATOM 1290 CA ARG A 76 -7.596 -9.600 -3.249 1.00 54.00 C ATOM 1291 C ARG A 76 -7.968 -9.584 -1.773 1.00 63.21 C ATOM 1292 O ARG A 76 -7.221 -10.063 -0.923 1.00 55.50 O ATOM 1293 CB ARG A 76 -6.090 -9.356 -3.415 1.00 50.23 C ATOM 1294 CG ARG A 76 -5.625 -9.212 -4.861 1.00 35.43 C ATOM 1295 CD ARG A 76 -6.188 -10.299 -5.770 1.00 24.42 C ATOM 1296 NE ARG A 76 -5.803 -11.647 -5.361 1.00 64.35 N ATOM 1297 CZ ARG A 76 -6.251 -12.752 -5.953 1.00 43.34 C ATOM 1298 NH1 ARG A 76 -7.087 -12.666 -6.981 1.00 13.04 N ATOM 1299 NH2 ARG A 76 -5.863 -13.944 -5.522 1.00 63.12 N ATOM 0 H ARG A 76 -8.177 -7.632 -3.698 1.00 70.44 H new ATOM 0 HA ARG A 76 -7.823 -10.577 -3.675 1.00 54.00 H new ATOM 0 HB2 ARG A 76 -5.819 -8.453 -2.869 1.00 50.23 H new ATOM 0 HB3 ARG A 76 -5.549 -10.182 -2.954 1.00 50.23 H new ATOM 0 HG2 ARG A 76 -5.926 -8.235 -5.240 1.00 35.43 H new ATOM 0 HG3 ARG A 76 -4.536 -9.245 -4.893 1.00 35.43 H new ATOM 0 HD2 ARG A 76 -7.276 -10.227 -5.782 1.00 24.42 H new ATOM 0 HD3 ARG A 76 -5.846 -10.124 -6.790 1.00 24.42 H new ATOM 0 HE ARG A 76 -5.156 -11.747 -4.579 1.00 64.35 H new ATOM 0 HH11 ARG A 76 -7.387 -11.752 -7.319 1.00 13.04 H new ATOM 0 HH12 ARG A 76 -7.429 -13.514 -7.433 1.00 13.04 H new ATOM 0 HH21 ARG A 76 -5.219 -14.017 -4.734 1.00 63.12 H new ATOM 0 HH22 ARG A 76 -6.208 -14.788 -5.978 1.00 63.12 H new ATOM 1313 N GLN A 77 -9.160 -9.060 -1.495 1.00 73.42 N ATOM 1314 CA GLN A 77 -9.651 -8.872 -0.130 1.00 24.44 C ATOM 1315 C GLN A 77 -9.787 -10.200 0.624 1.00 63.13 C ATOM 1316 O GLN A 77 -9.814 -10.225 1.856 1.00 35.51 O ATOM 1317 CB GLN A 77 -11.009 -8.160 -0.178 1.00 32.55 C ATOM 1318 CG GLN A 77 -11.556 -7.751 1.184 1.00 11.00 C ATOM 1319 CD GLN A 77 -10.909 -6.500 1.751 1.00 43.23 C ATOM 1320 OE1 GLN A 77 -11.549 -5.740 2.479 1.00 73.25 O ATOM 1321 NE2 GLN A 77 -9.643 -6.277 1.439 1.00 64.32 N ATOM 0 H GLN A 77 -9.816 -8.752 -2.213 1.00 73.42 H new ATOM 0 HA GLN A 77 -8.923 -8.267 0.409 1.00 24.44 H new ATOM 0 HB2 GLN A 77 -10.917 -7.270 -0.801 1.00 32.55 H new ATOM 0 HB3 GLN A 77 -11.732 -8.815 -0.664 1.00 32.55 H new ATOM 0 HG2 GLN A 77 -12.630 -7.587 1.100 1.00 11.00 H new ATOM 0 HG3 GLN A 77 -11.413 -8.573 1.885 1.00 11.00 H new ATOM 0 HE21 GLN A 77 -9.145 -6.929 0.833 1.00 64.32 H new ATOM 0 HE22 GLN A 77 -9.165 -5.453 1.804 1.00 64.32 H new ATOM 1330 N HIS A 78 -9.882 -11.296 -0.114 1.00 44.21 N ATOM 1331 CA HIS A 78 -10.057 -12.607 0.497 1.00 52.11 C ATOM 1332 C HIS A 78 -8.745 -13.118 1.089 1.00 12.03 C ATOM 1333 O HIS A 78 -8.713 -13.622 2.212 1.00 23.30 O ATOM 1334 CB HIS A 78 -10.594 -13.601 -0.533 1.00 22.45 C ATOM 1335 CG HIS A 78 -10.914 -14.947 0.038 1.00 23.05 C ATOM 1336 ND1 HIS A 78 -10.206 -16.084 -0.272 1.00 61.10 N ATOM 1337 CD2 HIS A 78 -11.880 -15.334 0.900 1.00 50.13 C ATOM 1338 CE1 HIS A 78 -10.721 -17.111 0.375 1.00 44.51 C ATOM 1339 NE2 HIS A 78 -11.737 -16.682 1.096 1.00 43.31 N ATOM 0 H HIS A 78 -9.841 -11.305 -1.133 1.00 44.21 H new ATOM 0 HA HIS A 78 -10.779 -12.509 1.308 1.00 52.11 H new ATOM 0 HB2 HIS A 78 -11.493 -13.187 -0.990 1.00 22.45 H new ATOM 0 HB3 HIS A 78 -9.858 -13.719 -1.328 1.00 22.45 H new ATOM 0 HD2 HIS A 78 -12.627 -14.698 1.351 1.00 50.13 H new ATOM 0 HE1 HIS A 78 -10.370 -18.131 0.323 1.00 44.51 H new ATOM 0 HE2 HIS A 78 -12.321 -17.259 1.701 1.00 43.31 H new ATOM 1348 N GLU A 79 -7.669 -12.985 0.331 1.00 12.34 N ATOM 1349 CA GLU A 79 -6.367 -13.478 0.761 1.00 1.44 C ATOM 1350 C GLU A 79 -5.616 -12.412 1.551 1.00 22.20 C ATOM 1351 O GLU A 79 -4.872 -12.723 2.480 1.00 61.52 O ATOM 1352 CB GLU A 79 -5.550 -13.922 -0.448 1.00 34.53 C ATOM 1353 CG GLU A 79 -5.536 -12.904 -1.571 1.00 40.32 C ATOM 1354 CD GLU A 79 -4.730 -13.359 -2.761 1.00 14.22 C ATOM 1355 OE1 GLU A 79 -4.730 -14.568 -3.065 1.00 64.11 O ATOM 1356 OE2 GLU A 79 -4.107 -12.508 -3.416 1.00 11.30 O ATOM 0 H GLU A 79 -7.670 -12.539 -0.587 1.00 12.34 H new ATOM 0 HA GLU A 79 -6.522 -14.336 1.416 1.00 1.44 H new ATOM 0 HB2 GLU A 79 -4.525 -14.118 -0.133 1.00 34.53 H new ATOM 0 HB3 GLU A 79 -5.953 -14.862 -0.825 1.00 34.53 H new ATOM 0 HG2 GLU A 79 -6.560 -12.704 -1.886 1.00 40.32 H new ATOM 0 HG3 GLU A 79 -5.127 -11.965 -1.199 1.00 40.32 H new ATOM 1363 N LEU A 80 -5.816 -11.159 1.173 1.00 45.34 N ATOM 1364 CA LEU A 80 -5.235 -10.044 1.892 1.00 3.14 C ATOM 1365 C LEU A 80 -6.253 -9.513 2.889 1.00 24.51 C ATOM 1366 O LEU A 80 -7.280 -8.956 2.496 1.00 13.31 O ATOM 1367 CB LEU A 80 -4.809 -8.939 0.921 1.00 22.21 C ATOM 1368 CG LEU A 80 -4.081 -7.751 1.559 1.00 52.24 C ATOM 1369 CD1 LEU A 80 -2.745 -8.189 2.147 1.00 21.11 C ATOM 1370 CD2 LEU A 80 -3.876 -6.644 0.537 1.00 32.04 C ATOM 0 H LEU A 80 -6.381 -10.891 0.367 1.00 45.34 H new ATOM 0 HA LEU A 80 -4.346 -10.382 2.425 1.00 3.14 H new ATOM 0 HB2 LEU A 80 -4.161 -9.376 0.161 1.00 22.21 H new ATOM 0 HB3 LEU A 80 -5.696 -8.567 0.408 1.00 22.21 H new ATOM 0 HG LEU A 80 -4.700 -7.365 2.369 1.00 52.24 H new ATOM 0 HD11 LEU A 80 -2.245 -7.330 2.595 1.00 21.11 H new ATOM 0 HD12 LEU A 80 -2.915 -8.948 2.910 1.00 21.11 H new ATOM 0 HD13 LEU A 80 -2.118 -8.603 1.357 1.00 21.11 H new ATOM 0 HD21 LEU A 80 -3.358 -5.807 1.006 1.00 32.04 H new ATOM 0 HD22 LEU A 80 -3.279 -7.021 -0.293 1.00 32.04 H new ATOM 0 HD23 LEU A 80 -4.844 -6.308 0.165 1.00 32.04 H new ATOM 1382 N PRO A 81 -5.989 -9.701 4.191 1.00 73.51 N ATOM 1383 CA PRO A 81 -6.915 -9.314 5.259 1.00 25.14 C ATOM 1384 C PRO A 81 -7.356 -7.859 5.147 1.00 73.53 C ATOM 1385 O PRO A 81 -6.548 -6.976 4.850 1.00 2.45 O ATOM 1386 CB PRO A 81 -6.108 -9.534 6.549 1.00 75.23 C ATOM 1387 CG PRO A 81 -4.693 -9.714 6.110 1.00 41.31 C ATOM 1388 CD PRO A 81 -4.763 -10.298 4.731 1.00 22.31 C ATOM 0 HA PRO A 81 -7.836 -9.895 5.220 1.00 25.14 H new ATOM 0 HB2 PRO A 81 -6.204 -8.682 7.222 1.00 75.23 H new ATOM 0 HB3 PRO A 81 -6.465 -10.410 7.090 1.00 75.23 H new ATOM 0 HG2 PRO A 81 -4.161 -8.762 6.105 1.00 41.31 H new ATOM 0 HG3 PRO A 81 -4.155 -10.376 6.788 1.00 41.31 H new ATOM 0 HD2 PRO A 81 -3.889 -10.036 4.135 1.00 22.31 H new ATOM 0 HD3 PRO A 81 -4.819 -11.386 4.754 1.00 22.31 H new ATOM 1396 N ALA A 82 -8.648 -7.627 5.367 1.00 44.11 N ATOM 1397 CA ALA A 82 -9.203 -6.285 5.342 1.00 53.32 C ATOM 1398 C ALA A 82 -8.500 -5.394 6.356 1.00 14.14 C ATOM 1399 O ALA A 82 -8.711 -5.517 7.562 1.00 12.02 O ATOM 1400 CB ALA A 82 -10.697 -6.326 5.617 1.00 34.41 C ATOM 0 H ALA A 82 -9.330 -8.359 5.565 1.00 44.11 H new ATOM 0 HA ALA A 82 -9.043 -5.865 4.349 1.00 53.32 H new ATOM 0 HB1 ALA A 82 -11.099 -5.313 5.595 1.00 34.41 H new ATOM 0 HB2 ALA A 82 -11.191 -6.929 4.855 1.00 34.41 H new ATOM 0 HB3 ALA A 82 -10.874 -6.766 6.599 1.00 34.41 H new ATOM 1406 N MET A 83 -7.644 -4.522 5.857 1.00 13.03 N ATOM 1407 CA MET A 83 -6.892 -3.611 6.697 1.00 52.31 C ATOM 1408 C MET A 83 -6.655 -2.315 5.949 1.00 21.43 C ATOM 1409 O MET A 83 -6.892 -2.238 4.744 1.00 4.25 O ATOM 1410 CB MET A 83 -5.551 -4.231 7.108 1.00 52.33 C ATOM 1411 CG MET A 83 -4.618 -4.506 5.937 1.00 44.03 C ATOM 1412 SD MET A 83 -3.008 -5.129 6.461 1.00 34.44 S ATOM 1413 CE MET A 83 -2.197 -5.319 4.877 1.00 4.04 C ATOM 0 H MET A 83 -7.451 -4.426 4.860 1.00 13.03 H new ATOM 0 HA MET A 83 -7.467 -3.412 7.601 1.00 52.31 H new ATOM 0 HB2 MET A 83 -5.052 -3.562 7.809 1.00 52.33 H new ATOM 0 HB3 MET A 83 -5.740 -5.165 7.637 1.00 52.33 H new ATOM 0 HG2 MET A 83 -5.084 -5.231 5.269 1.00 44.03 H new ATOM 0 HG3 MET A 83 -4.479 -3.589 5.365 1.00 44.03 H new ATOM 0 HE1 MET A 83 -1.403 -6.061 4.962 1.00 4.04 H new ATOM 0 HE2 MET A 83 -2.923 -5.648 4.134 1.00 4.04 H new ATOM 0 HE3 MET A 83 -1.771 -4.364 4.570 1.00 4.04 H new ATOM 1423 N ASP A 84 -6.190 -1.308 6.659 1.00 50.32 N ATOM 1424 CA ASP A 84 -5.945 -0.010 6.064 1.00 2.42 C ATOM 1425 C ASP A 84 -4.481 0.133 5.681 1.00 64.13 C ATOM 1426 O ASP A 84 -3.588 -0.332 6.396 1.00 63.15 O ATOM 1427 CB ASP A 84 -6.377 1.099 7.020 1.00 2.33 C ATOM 1428 CG ASP A 84 -7.883 1.262 7.048 1.00 54.11 C ATOM 1429 OD1 ASP A 84 -8.561 0.517 7.796 1.00 33.24 O ATOM 1430 OD2 ASP A 84 -8.392 2.130 6.306 1.00 32.01 O ATOM 0 H ASP A 84 -5.973 -1.364 7.654 1.00 50.32 H new ATOM 0 HA ASP A 84 -6.538 0.077 5.153 1.00 2.42 H new ATOM 0 HB2 ASP A 84 -6.017 0.874 8.024 1.00 2.33 H new ATOM 0 HB3 ASP A 84 -5.915 2.039 6.719 1.00 2.33 H new ATOM 1435 N PHE A 85 -4.238 0.768 4.543 1.00 12.33 N ATOM 1436 CA PHE A 85 -2.898 0.853 3.993 1.00 5.45 C ATOM 1437 C PHE A 85 -2.724 2.093 3.128 1.00 62.15 C ATOM 1438 O PHE A 85 -3.666 2.560 2.482 1.00 14.04 O ATOM 1439 CB PHE A 85 -2.573 -0.412 3.180 1.00 72.10 C ATOM 1440 CG PHE A 85 -3.599 -0.760 2.131 1.00 30.25 C ATOM 1441 CD1 PHE A 85 -3.503 -0.249 0.845 1.00 52.22 C ATOM 1442 CD2 PHE A 85 -4.655 -1.607 2.431 1.00 51.22 C ATOM 1443 CE1 PHE A 85 -4.439 -0.575 -0.116 1.00 42.11 C ATOM 1444 CE2 PHE A 85 -5.594 -1.935 1.473 1.00 44.50 C ATOM 1445 CZ PHE A 85 -5.485 -1.420 0.197 1.00 21.51 C ATOM 0 H PHE A 85 -4.954 1.232 3.984 1.00 12.33 H new ATOM 0 HA PHE A 85 -2.202 0.930 4.828 1.00 5.45 H new ATOM 0 HB2 PHE A 85 -1.606 -0.279 2.695 1.00 72.10 H new ATOM 0 HB3 PHE A 85 -2.472 -1.254 3.865 1.00 72.10 H new ATOM 0 HD1 PHE A 85 -2.687 0.411 0.593 1.00 52.22 H new ATOM 0 HD2 PHE A 85 -4.744 -2.016 3.427 1.00 51.22 H new ATOM 0 HE1 PHE A 85 -4.353 -0.169 -1.113 1.00 42.11 H new ATOM 0 HE2 PHE A 85 -6.413 -2.594 1.722 1.00 44.50 H new ATOM 0 HZ PHE A 85 -6.216 -1.677 -0.555 1.00 21.51 H new ATOM 1455 N VAL A 86 -1.509 2.612 3.124 1.00 5.14 N ATOM 1456 CA VAL A 86 -1.158 3.763 2.316 1.00 50.04 C ATOM 1457 C VAL A 86 -0.151 3.345 1.246 1.00 71.51 C ATOM 1458 O VAL A 86 0.807 2.622 1.522 1.00 62.23 O ATOM 1459 CB VAL A 86 -0.581 4.915 3.183 1.00 11.33 C ATOM 1460 CG1 VAL A 86 0.626 4.449 3.987 1.00 2.12 C ATOM 1461 CG2 VAL A 86 -0.220 6.118 2.324 1.00 24.44 C ATOM 0 H VAL A 86 -0.738 2.246 3.682 1.00 5.14 H new ATOM 0 HA VAL A 86 -2.064 4.137 1.839 1.00 50.04 H new ATOM 0 HB VAL A 86 -1.358 5.218 3.885 1.00 11.33 H new ATOM 0 HG11 VAL A 86 1.008 5.278 4.584 1.00 2.12 H new ATOM 0 HG12 VAL A 86 0.331 3.633 4.646 1.00 2.12 H new ATOM 0 HG13 VAL A 86 1.404 4.103 3.307 1.00 2.12 H new ATOM 0 HG21 VAL A 86 0.181 6.910 2.957 1.00 24.44 H new ATOM 0 HG22 VAL A 86 0.529 5.827 1.587 1.00 24.44 H new ATOM 0 HG23 VAL A 86 -1.111 6.480 1.812 1.00 24.44 H new ATOM 1471 N VAL A 87 -0.388 3.772 0.021 1.00 71.45 N ATOM 1472 CA VAL A 87 0.486 3.420 -1.082 1.00 44.23 C ATOM 1473 C VAL A 87 1.248 4.651 -1.551 1.00 73.12 C ATOM 1474 O VAL A 87 0.668 5.568 -2.135 1.00 21.20 O ATOM 1475 CB VAL A 87 -0.300 2.809 -2.263 1.00 34.33 C ATOM 1476 CG1 VAL A 87 0.652 2.312 -3.340 1.00 35.50 C ATOM 1477 CG2 VAL A 87 -1.204 1.683 -1.784 1.00 45.50 C ATOM 0 H VAL A 87 -1.178 4.363 -0.236 1.00 71.45 H new ATOM 0 HA VAL A 87 1.187 2.667 -0.723 1.00 44.23 H new ATOM 0 HB VAL A 87 -0.928 3.589 -2.694 1.00 34.33 H new ATOM 0 HG11 VAL A 87 0.079 1.885 -4.163 1.00 35.50 H new ATOM 0 HG12 VAL A 87 1.251 3.145 -3.708 1.00 35.50 H new ATOM 0 HG13 VAL A 87 1.309 1.549 -2.921 1.00 35.50 H new ATOM 0 HG21 VAL A 87 -1.748 1.267 -2.632 1.00 45.50 H new ATOM 0 HG22 VAL A 87 -0.599 0.902 -1.323 1.00 45.50 H new ATOM 0 HG23 VAL A 87 -1.913 2.072 -1.053 1.00 45.50 H new ATOM 1487 N VAL A 88 2.540 4.679 -1.269 1.00 24.13 N ATOM 1488 CA VAL A 88 3.369 5.819 -1.619 1.00 61.41 C ATOM 1489 C VAL A 88 4.029 5.608 -2.973 1.00 74.42 C ATOM 1490 O VAL A 88 4.972 4.824 -3.103 1.00 44.43 O ATOM 1491 CB VAL A 88 4.458 6.083 -0.555 1.00 22.01 C ATOM 1492 CG1 VAL A 88 5.249 7.339 -0.891 1.00 31.22 C ATOM 1493 CG2 VAL A 88 3.839 6.197 0.831 1.00 72.23 C ATOM 0 H VAL A 88 3.038 3.924 -0.798 1.00 24.13 H new ATOM 0 HA VAL A 88 2.713 6.688 -1.664 1.00 61.41 H new ATOM 0 HB VAL A 88 5.145 5.237 -0.556 1.00 22.01 H new ATOM 0 HG11 VAL A 88 6.010 7.505 -0.128 1.00 31.22 H new ATOM 0 HG12 VAL A 88 5.729 7.218 -1.862 1.00 31.22 H new ATOM 0 HG13 VAL A 88 4.575 8.195 -0.924 1.00 31.22 H new ATOM 0 HG21 VAL A 88 4.623 6.383 1.565 1.00 72.23 H new ATOM 0 HG22 VAL A 88 3.126 7.022 0.844 1.00 72.23 H new ATOM 0 HG23 VAL A 88 3.324 5.268 1.077 1.00 72.23 H new ATOM 1503 N ALA A 89 3.512 6.285 -3.984 1.00 23.40 N ATOM 1504 CA ALA A 89 4.107 6.249 -5.305 1.00 13.31 C ATOM 1505 C ALA A 89 5.048 7.432 -5.464 1.00 64.34 C ATOM 1506 O ALA A 89 4.657 8.573 -5.234 1.00 73.30 O ATOM 1507 CB ALA A 89 3.025 6.272 -6.374 1.00 43.20 C ATOM 0 H ALA A 89 2.678 6.868 -3.913 1.00 23.40 H new ATOM 0 HA ALA A 89 4.674 5.326 -5.423 1.00 13.31 H new ATOM 0 HB1 ALA A 89 3.488 6.245 -7.361 1.00 43.20 H new ATOM 0 HB2 ALA A 89 2.376 5.405 -6.253 1.00 43.20 H new ATOM 0 HB3 ALA A 89 2.435 7.183 -6.275 1.00 43.20 H new ATOM 1513 N LYS A 90 6.289 7.160 -5.829 1.00 25.41 N ATOM 1514 CA LYS A 90 7.299 8.203 -5.886 1.00 3.23 C ATOM 1515 C LYS A 90 7.556 8.661 -7.322 1.00 30.23 C ATOM 1516 O LYS A 90 6.733 8.440 -8.215 1.00 32.43 O ATOM 1517 CB LYS A 90 8.587 7.710 -5.223 1.00 0.42 C ATOM 1518 CG LYS A 90 8.367 7.247 -3.790 1.00 4.30 C ATOM 1519 CD LYS A 90 9.672 6.970 -3.065 1.00 70.13 C ATOM 1520 CE LYS A 90 9.416 6.501 -1.641 1.00 44.52 C ATOM 1521 NZ LYS A 90 10.662 6.459 -0.834 1.00 33.10 N ATOM 0 H LYS A 90 6.621 6.231 -6.089 1.00 25.41 H new ATOM 0 HA LYS A 90 6.930 9.071 -5.339 1.00 3.23 H new ATOM 0 HB2 LYS A 90 9.000 6.888 -5.807 1.00 0.42 H new ATOM 0 HB3 LYS A 90 9.326 8.511 -5.233 1.00 0.42 H new ATOM 0 HG2 LYS A 90 7.807 8.008 -3.247 1.00 4.30 H new ATOM 0 HG3 LYS A 90 7.757 6.344 -3.792 1.00 4.30 H new ATOM 0 HD2 LYS A 90 10.238 6.211 -3.605 1.00 70.13 H new ATOM 0 HD3 LYS A 90 10.282 7.873 -3.050 1.00 70.13 H new ATOM 0 HE2 LYS A 90 8.698 7.168 -1.164 1.00 44.52 H new ATOM 0 HE3 LYS A 90 8.965 5.509 -1.662 1.00 44.52 H new ATOM 0 HZ1 LYS A 90 10.441 6.134 0.129 1.00 33.10 H new ATOM 0 HZ2 LYS A 90 11.339 5.803 -1.274 1.00 33.10 H new ATOM 0 HZ3 LYS A 90 11.080 7.410 -0.791 1.00 33.10 H new ATOM 1535 N LYS A 91 8.688 9.319 -7.534 1.00 71.31 N ATOM 1536 CA LYS A 91 8.995 9.928 -8.820 1.00 30.44 C ATOM 1537 C LYS A 91 9.481 8.878 -9.816 1.00 32.32 C ATOM 1538 O LYS A 91 10.554 8.297 -9.651 1.00 30.04 O ATOM 1539 CB LYS A 91 10.051 11.026 -8.630 1.00 42.31 C ATOM 1540 CG LYS A 91 10.107 12.060 -9.752 1.00 41.23 C ATOM 1541 CD LYS A 91 10.795 11.532 -11.005 1.00 2.33 C ATOM 1542 CE LYS A 91 12.247 11.166 -10.733 1.00 42.34 C ATOM 1543 NZ LYS A 91 12.938 10.684 -11.956 1.00 10.03 N ATOM 0 H LYS A 91 9.412 9.445 -6.827 1.00 71.31 H new ATOM 0 HA LYS A 91 8.087 10.374 -9.225 1.00 30.44 H new ATOM 0 HB2 LYS A 91 9.855 11.541 -7.690 1.00 42.31 H new ATOM 0 HB3 LYS A 91 11.031 10.557 -8.538 1.00 42.31 H new ATOM 0 HG2 LYS A 91 9.093 12.372 -10.003 1.00 41.23 H new ATOM 0 HG3 LYS A 91 10.635 12.946 -9.398 1.00 41.23 H new ATOM 0 HD2 LYS A 91 10.261 10.656 -11.373 1.00 2.33 H new ATOM 0 HD3 LYS A 91 10.750 12.286 -11.791 1.00 2.33 H new ATOM 0 HE2 LYS A 91 12.772 12.036 -10.339 1.00 42.34 H new ATOM 0 HE3 LYS A 91 12.288 10.394 -9.965 1.00 42.34 H new ATOM 0 HZ1 LYS A 91 13.924 10.446 -11.727 1.00 10.03 H new ATOM 0 HZ2 LYS A 91 12.453 9.839 -12.319 1.00 10.03 H new ATOM 0 HZ3 LYS A 91 12.922 11.430 -12.681 1.00 10.03 H new ATOM 1557 N GLY A 92 8.683 8.645 -10.849 1.00 71.21 N ATOM 1558 CA GLY A 92 9.067 7.701 -11.881 1.00 72.23 C ATOM 1559 C GLY A 92 8.050 6.598 -12.074 1.00 2.02 C ATOM 1560 O GLY A 92 8.125 5.845 -13.041 1.00 72.15 O ATOM 0 H GLY A 92 7.777 9.092 -10.991 1.00 71.21 H new ATOM 0 HA2 GLY A 92 9.202 8.234 -12.822 1.00 72.23 H new ATOM 0 HA3 GLY A 92 10.030 7.260 -11.624 1.00 72.23 H new ATOM 1564 N VAL A 93 7.089 6.510 -11.159 1.00 53.24 N ATOM 1565 CA VAL A 93 6.062 5.468 -11.218 1.00 2.52 C ATOM 1566 C VAL A 93 5.222 5.574 -12.500 1.00 11.53 C ATOM 1567 O VAL A 93 4.642 4.593 -12.962 1.00 15.24 O ATOM 1568 CB VAL A 93 5.141 5.529 -9.976 1.00 52.41 C ATOM 1569 CG1 VAL A 93 4.324 6.811 -9.964 1.00 71.10 C ATOM 1570 CG2 VAL A 93 4.240 4.302 -9.895 1.00 64.43 C ATOM 0 H VAL A 93 6.998 7.146 -10.367 1.00 53.24 H new ATOM 0 HA VAL A 93 6.578 4.508 -11.228 1.00 2.52 H new ATOM 0 HB VAL A 93 5.777 5.530 -9.091 1.00 52.41 H new ATOM 0 HG11 VAL A 93 3.686 6.827 -9.081 1.00 71.10 H new ATOM 0 HG12 VAL A 93 4.995 7.670 -9.943 1.00 71.10 H new ATOM 0 HG13 VAL A 93 3.705 6.856 -10.860 1.00 71.10 H new ATOM 0 HG21 VAL A 93 3.605 4.374 -9.012 1.00 64.43 H new ATOM 0 HG22 VAL A 93 3.616 4.249 -10.787 1.00 64.43 H new ATOM 0 HG23 VAL A 93 4.854 3.404 -9.828 1.00 64.43 H new ATOM 1580 N ALA A 94 5.196 6.766 -13.092 1.00 61.53 N ATOM 1581 CA ALA A 94 4.408 7.015 -14.295 1.00 4.04 C ATOM 1582 C ALA A 94 5.062 6.396 -15.530 1.00 32.35 C ATOM 1583 O ALA A 94 4.485 6.397 -16.616 1.00 5.34 O ATOM 1584 CB ALA A 94 4.211 8.510 -14.496 1.00 63.31 C ATOM 0 H ALA A 94 5.714 7.577 -12.756 1.00 61.53 H new ATOM 0 HA ALA A 94 3.435 6.542 -14.160 1.00 4.04 H new ATOM 0 HB1 ALA A 94 3.622 8.681 -15.397 1.00 63.31 H new ATOM 0 HB2 ALA A 94 3.688 8.927 -13.635 1.00 63.31 H new ATOM 0 HB3 ALA A 94 5.182 8.994 -14.600 1.00 63.31 H new ATOM 1590 N ASP A 95 6.269 5.865 -15.356 1.00 61.20 N ATOM 1591 CA ASP A 95 6.996 5.232 -16.454 1.00 62.21 C ATOM 1592 C ASP A 95 6.431 3.846 -16.738 1.00 0.51 C ATOM 1593 O ASP A 95 6.681 3.261 -17.791 1.00 23.24 O ATOM 1594 CB ASP A 95 8.486 5.134 -16.115 1.00 52.25 C ATOM 1595 CG ASP A 95 9.321 4.629 -17.274 1.00 72.25 C ATOM 1596 OD1 ASP A 95 9.597 5.416 -18.200 1.00 44.24 O ATOM 1597 OD2 ASP A 95 9.729 3.447 -17.255 1.00 31.31 O ATOM 0 H ASP A 95 6.765 5.860 -14.465 1.00 61.20 H new ATOM 0 HA ASP A 95 6.877 5.846 -17.347 1.00 62.21 H new ATOM 0 HB2 ASP A 95 8.850 6.116 -15.812 1.00 52.25 H new ATOM 0 HB3 ASP A 95 8.617 4.468 -15.262 1.00 52.25 H new ATOM 1602 N LEU A 96 5.661 3.330 -15.791 1.00 75.03 N ATOM 1603 CA LEU A 96 5.023 2.034 -15.953 1.00 52.35 C ATOM 1604 C LEU A 96 3.821 2.151 -16.885 1.00 20.32 C ATOM 1605 O LEU A 96 2.838 2.830 -16.574 1.00 54.44 O ATOM 1606 CB LEU A 96 4.591 1.474 -14.595 1.00 71.02 C ATOM 1607 CG LEU A 96 5.726 1.254 -13.592 1.00 31.42 C ATOM 1608 CD1 LEU A 96 5.182 0.705 -12.283 1.00 62.40 C ATOM 1609 CD2 LEU A 96 6.774 0.316 -14.171 1.00 2.05 C ATOM 0 H LEU A 96 5.464 3.790 -14.902 1.00 75.03 H new ATOM 0 HA LEU A 96 5.744 1.346 -16.395 1.00 52.35 H new ATOM 0 HB2 LEU A 96 3.864 2.155 -14.153 1.00 71.02 H new ATOM 0 HB3 LEU A 96 4.081 0.524 -14.757 1.00 71.02 H new ATOM 0 HG LEU A 96 6.199 2.215 -13.390 1.00 31.42 H new ATOM 0 HD11 LEU A 96 6.003 0.555 -11.582 1.00 62.40 H new ATOM 0 HD12 LEU A 96 4.469 1.413 -11.860 1.00 62.40 H new ATOM 0 HD13 LEU A 96 4.683 -0.247 -12.467 1.00 62.40 H new ATOM 0 HD21 LEU A 96 7.574 0.171 -13.444 1.00 2.05 H new ATOM 0 HD22 LEU A 96 6.314 -0.645 -14.402 1.00 2.05 H new ATOM 0 HD23 LEU A 96 7.186 0.749 -15.082 1.00 2.05 H new ATOM 1621 N ASP A 97 3.915 1.508 -18.040 1.00 30.43 N ATOM 1622 CA ASP A 97 2.843 1.551 -19.023 1.00 4.21 C ATOM 1623 C ASP A 97 1.948 0.323 -18.914 1.00 13.33 C ATOM 1624 O ASP A 97 2.065 -0.453 -17.964 1.00 62.33 O ATOM 1625 CB ASP A 97 3.410 1.672 -20.440 1.00 12.31 C ATOM 1626 CG ASP A 97 4.085 3.006 -20.686 1.00 73.34 C ATOM 1627 OD1 ASP A 97 3.406 4.052 -20.583 1.00 41.24 O ATOM 1628 OD2 ASP A 97 5.291 3.014 -21.001 1.00 21.42 O ATOM 0 H ASP A 97 4.722 0.951 -18.319 1.00 30.43 H new ATOM 0 HA ASP A 97 2.237 2.433 -18.815 1.00 4.21 H new ATOM 0 HB2 ASP A 97 4.127 0.869 -20.610 1.00 12.31 H new ATOM 0 HB3 ASP A 97 2.605 1.538 -21.162 1.00 12.31 H new ATOM 1633 N ASN A 98 1.075 0.157 -19.907 1.00 31.12 N ATOM 1634 CA ASN A 98 0.025 -0.868 -19.904 1.00 32.32 C ATOM 1635 C ASN A 98 0.539 -2.251 -19.509 1.00 34.55 C ATOM 1636 O ASN A 98 -0.074 -2.937 -18.691 1.00 44.51 O ATOM 1637 CB ASN A 98 -0.625 -0.947 -21.288 1.00 64.03 C ATOM 1638 CG ASN A 98 -1.121 0.401 -21.779 1.00 13.51 C ATOM 1639 OD1 ASN A 98 -2.252 0.803 -21.504 1.00 15.10 O ATOM 1640 ND2 ASN A 98 -0.287 1.097 -22.538 1.00 14.43 N ATOM 0 H ASN A 98 1.075 0.736 -20.747 1.00 31.12 H new ATOM 0 HA ASN A 98 -0.704 -0.568 -19.152 1.00 32.32 H new ATOM 0 HB2 ASN A 98 0.096 -1.346 -22.001 1.00 64.03 H new ATOM 0 HB3 ASN A 98 -1.460 -1.646 -21.253 1.00 64.03 H new ATOM 0 HD21 ASN A 98 -0.574 1.999 -22.917 1.00 14.43 H new ATOM 0 HD22 ASN A 98 0.642 0.730 -22.744 1.00 14.43 H new ATOM 1647 N ARG A 99 1.658 -2.665 -20.086 1.00 4.12 N ATOM 1648 CA ARG A 99 2.190 -3.997 -19.835 1.00 62.31 C ATOM 1649 C ARG A 99 3.040 -4.005 -18.573 1.00 75.20 C ATOM 1650 O ARG A 99 3.006 -4.956 -17.791 1.00 51.24 O ATOM 1651 CB ARG A 99 3.025 -4.469 -21.027 1.00 1.14 C ATOM 1652 CG ARG A 99 3.124 -5.985 -21.141 1.00 23.14 C ATOM 1653 CD ARG A 99 1.746 -6.605 -21.319 1.00 51.42 C ATOM 1654 NE ARG A 99 0.988 -5.923 -22.366 1.00 15.13 N ATOM 1655 CZ ARG A 99 -0.329 -6.003 -22.520 1.00 75.23 C ATOM 1656 NH1 ARG A 99 -1.059 -6.782 -21.730 1.00 4.34 N ATOM 1657 NH2 ARG A 99 -0.913 -5.299 -23.476 1.00 4.44 N ATOM 0 H ARG A 99 2.213 -2.100 -20.729 1.00 4.12 H new ATOM 0 HA ARG A 99 1.351 -4.679 -19.696 1.00 62.31 H new ATOM 0 HB2 ARG A 99 2.590 -4.072 -21.944 1.00 1.14 H new ATOM 0 HB3 ARG A 99 4.029 -4.053 -20.944 1.00 1.14 H new ATOM 0 HG2 ARG A 99 3.759 -6.250 -21.987 1.00 23.14 H new ATOM 0 HG3 ARG A 99 3.598 -6.391 -20.247 1.00 23.14 H new ATOM 0 HD2 ARG A 99 1.850 -7.660 -21.571 1.00 51.42 H new ATOM 0 HD3 ARG A 99 1.198 -6.554 -20.378 1.00 51.42 H new ATOM 0 HE ARG A 99 1.507 -5.344 -23.026 1.00 15.13 H new ATOM 0 HH11 ARG A 99 -0.609 -7.327 -20.995 1.00 4.34 H new ATOM 0 HH12 ARG A 99 -2.070 -6.835 -21.858 1.00 4.34 H new ATOM 0 HH21 ARG A 99 -0.353 -4.703 -24.085 1.00 4.44 H new ATOM 0 HH22 ARG A 99 -1.924 -5.352 -23.604 1.00 4.44 H new ATOM 1671 N ALA A 100 3.780 -2.922 -18.370 1.00 10.55 N ATOM 1672 CA ALA A 100 4.699 -2.813 -17.245 1.00 11.25 C ATOM 1673 C ALA A 100 3.960 -2.888 -15.913 1.00 2.32 C ATOM 1674 O ALA A 100 4.403 -3.570 -14.989 1.00 64.21 O ATOM 1675 CB ALA A 100 5.496 -1.521 -17.343 1.00 23.22 C ATOM 0 H ALA A 100 3.761 -2.101 -18.975 1.00 10.55 H new ATOM 0 HA ALA A 100 5.387 -3.657 -17.288 1.00 11.25 H new ATOM 0 HB1 ALA A 100 6.180 -1.450 -16.497 1.00 23.22 H new ATOM 0 HB2 ALA A 100 6.066 -1.515 -18.272 1.00 23.22 H new ATOM 0 HB3 ALA A 100 4.814 -0.671 -17.330 1.00 23.22 H new ATOM 1681 N LEU A 101 2.816 -2.212 -15.826 1.00 62.25 N ATOM 1682 CA LEU A 101 2.044 -2.186 -14.589 1.00 54.23 C ATOM 1683 C LEU A 101 1.455 -3.561 -14.267 1.00 50.53 C ATOM 1684 O LEU A 101 1.114 -3.841 -13.122 1.00 13.54 O ATOM 1685 CB LEU A 101 0.946 -1.104 -14.648 1.00 54.44 C ATOM 1686 CG LEU A 101 -0.012 -1.152 -15.848 1.00 43.04 C ATOM 1687 CD1 LEU A 101 -1.079 -2.223 -15.671 1.00 63.44 C ATOM 1688 CD2 LEU A 101 -0.659 0.208 -16.063 1.00 70.32 C ATOM 0 H LEU A 101 2.407 -1.679 -16.593 1.00 62.25 H new ATOM 0 HA LEU A 101 2.725 -1.928 -13.778 1.00 54.23 H new ATOM 0 HB2 LEU A 101 0.352 -1.173 -13.737 1.00 54.44 H new ATOM 0 HB3 LEU A 101 1.431 -0.128 -14.639 1.00 54.44 H new ATOM 0 HG LEU A 101 0.574 -1.410 -16.730 1.00 43.04 H new ATOM 0 HD11 LEU A 101 -1.738 -2.227 -16.539 1.00 63.44 H new ATOM 0 HD12 LEU A 101 -0.603 -3.198 -15.572 1.00 63.44 H new ATOM 0 HD13 LEU A 101 -1.662 -2.011 -14.774 1.00 63.44 H new ATOM 0 HD21 LEU A 101 -1.335 0.158 -16.917 1.00 70.32 H new ATOM 0 HD22 LEU A 101 -1.220 0.489 -15.172 1.00 70.32 H new ATOM 0 HD23 LEU A 101 0.114 0.952 -16.255 1.00 70.32 H new ATOM 1700 N SER A 102 1.358 -4.421 -15.274 1.00 72.22 N ATOM 1701 CA SER A 102 0.843 -5.769 -15.075 1.00 53.34 C ATOM 1702 C SER A 102 1.936 -6.676 -14.515 1.00 33.14 C ATOM 1703 O SER A 102 1.704 -7.446 -13.583 1.00 72.12 O ATOM 1704 CB SER A 102 0.307 -6.329 -16.394 1.00 72.12 C ATOM 1705 OG SER A 102 -0.688 -5.477 -16.937 1.00 32.13 O ATOM 0 H SER A 102 1.629 -4.209 -16.234 1.00 72.22 H new ATOM 0 HA SER A 102 0.025 -5.729 -14.356 1.00 53.34 H new ATOM 0 HB2 SER A 102 1.125 -6.440 -17.106 1.00 72.12 H new ATOM 0 HB3 SER A 102 -0.109 -7.323 -16.230 1.00 72.12 H new ATOM 0 HG SER A 102 -0.261 -4.764 -17.456 1.00 32.13 H new ATOM 1711 N GLU A 103 3.137 -6.548 -15.067 1.00 12.13 N ATOM 1712 CA GLU A 103 4.267 -7.366 -14.645 1.00 51.44 C ATOM 1713 C GLU A 103 4.809 -6.899 -13.298 1.00 64.02 C ATOM 1714 O GLU A 103 5.458 -7.656 -12.580 1.00 5.33 O ATOM 1715 CB GLU A 103 5.369 -7.324 -15.703 1.00 72.23 C ATOM 1716 CG GLU A 103 4.960 -7.948 -17.028 1.00 3.15 C ATOM 1717 CD GLU A 103 4.650 -9.428 -16.903 1.00 42.22 C ATOM 1718 OE1 GLU A 103 5.592 -10.243 -16.983 1.00 3.32 O ATOM 1719 OE2 GLU A 103 3.467 -9.786 -16.727 1.00 14.34 O ATOM 0 H GLU A 103 3.353 -5.883 -15.810 1.00 12.13 H new ATOM 0 HA GLU A 103 3.921 -8.393 -14.532 1.00 51.44 H new ATOM 0 HB2 GLU A 103 5.660 -6.287 -15.873 1.00 72.23 H new ATOM 0 HB3 GLU A 103 6.248 -7.843 -15.322 1.00 72.23 H new ATOM 0 HG2 GLU A 103 4.084 -7.428 -17.415 1.00 3.15 H new ATOM 0 HG3 GLU A 103 5.761 -7.808 -17.754 1.00 3.15 H new ATOM 1726 N ALA A 104 4.552 -5.643 -12.963 1.00 33.34 N ATOM 1727 CA ALA A 104 4.942 -5.111 -11.665 1.00 12.55 C ATOM 1728 C ALA A 104 3.916 -5.483 -10.600 1.00 12.01 C ATOM 1729 O ALA A 104 4.256 -5.662 -9.428 1.00 52.22 O ATOM 1730 CB ALA A 104 5.112 -3.600 -11.736 1.00 64.55 C ATOM 0 H ALA A 104 4.077 -4.975 -13.570 1.00 33.34 H new ATOM 0 HA ALA A 104 5.899 -5.553 -11.388 1.00 12.55 H new ATOM 0 HB1 ALA A 104 5.404 -3.220 -10.757 1.00 64.55 H new ATOM 0 HB2 ALA A 104 5.884 -3.355 -12.465 1.00 64.55 H new ATOM 0 HB3 ALA A 104 4.170 -3.142 -12.037 1.00 64.55 H new ATOM 1736 N LEU A 105 2.665 -5.615 -11.025 1.00 22.01 N ATOM 1737 CA LEU A 105 1.565 -5.928 -10.119 1.00 72.44 C ATOM 1738 C LEU A 105 1.771 -7.302 -9.492 1.00 44.20 C ATOM 1739 O LEU A 105 1.669 -7.459 -8.276 1.00 2.10 O ATOM 1740 CB LEU A 105 0.228 -5.873 -10.883 1.00 4.53 C ATOM 1741 CG LEU A 105 -1.057 -5.889 -10.034 1.00 72.13 C ATOM 1742 CD1 LEU A 105 -1.388 -7.288 -9.529 1.00 51.42 C ATOM 1743 CD2 LEU A 105 -0.934 -4.925 -8.862 1.00 4.35 C ATOM 0 H LEU A 105 2.385 -5.509 -12.000 1.00 22.01 H new ATOM 0 HA LEU A 105 1.541 -5.189 -9.318 1.00 72.44 H new ATOM 0 HB2 LEU A 105 0.222 -4.969 -11.492 1.00 4.53 H new ATOM 0 HB3 LEU A 105 0.193 -6.720 -11.568 1.00 4.53 H new ATOM 0 HG LEU A 105 -1.875 -5.567 -10.679 1.00 72.13 H new ATOM 0 HD11 LEU A 105 -2.301 -7.254 -8.935 1.00 51.42 H new ATOM 0 HD12 LEU A 105 -1.532 -7.957 -10.378 1.00 51.42 H new ATOM 0 HD13 LEU A 105 -0.568 -7.656 -8.913 1.00 51.42 H new ATOM 0 HD21 LEU A 105 -1.851 -4.949 -8.273 1.00 4.35 H new ATOM 0 HD22 LEU A 105 -0.092 -5.220 -8.235 1.00 4.35 H new ATOM 0 HD23 LEU A 105 -0.771 -3.915 -9.237 1.00 4.35 H new ATOM 1755 N GLU A 106 2.090 -8.287 -10.328 1.00 42.22 N ATOM 1756 CA GLU A 106 2.256 -9.664 -9.867 1.00 44.53 C ATOM 1757 C GLU A 106 3.374 -9.777 -8.829 1.00 32.44 C ATOM 1758 O GLU A 106 3.356 -10.677 -7.986 1.00 54.21 O ATOM 1759 CB GLU A 106 2.542 -10.595 -11.048 1.00 62.15 C ATOM 1760 CG GLU A 106 3.774 -10.207 -11.841 1.00 43.23 C ATOM 1761 CD GLU A 106 4.746 -11.354 -11.991 1.00 34.00 C ATOM 1762 OE1 GLU A 106 5.338 -11.771 -10.975 1.00 45.41 O ATOM 1763 OE2 GLU A 106 4.929 -11.840 -13.128 1.00 54.42 O ATOM 0 H GLU A 106 2.239 -8.158 -11.329 1.00 42.22 H new ATOM 0 HA GLU A 106 1.322 -9.966 -9.393 1.00 44.53 H new ATOM 0 HB2 GLU A 106 2.665 -11.612 -10.677 1.00 62.15 H new ATOM 0 HB3 GLU A 106 1.679 -10.600 -11.713 1.00 62.15 H new ATOM 0 HG2 GLU A 106 3.472 -9.858 -12.829 1.00 43.23 H new ATOM 0 HG3 GLU A 106 4.273 -9.373 -11.347 1.00 43.23 H new ATOM 1770 N LYS A 107 4.337 -8.859 -8.887 1.00 40.03 N ATOM 1771 CA LYS A 107 5.444 -8.852 -7.939 1.00 64.31 C ATOM 1772 C LYS A 107 4.941 -8.487 -6.550 1.00 2.54 C ATOM 1773 O LYS A 107 5.055 -9.268 -5.605 1.00 25.23 O ATOM 1774 CB LYS A 107 6.529 -7.853 -8.357 1.00 51.33 C ATOM 1775 CG LYS A 107 7.014 -8.002 -9.791 1.00 44.34 C ATOM 1776 CD LYS A 107 7.525 -9.402 -10.089 1.00 3.14 C ATOM 1777 CE LYS A 107 8.663 -9.806 -9.168 1.00 12.54 C ATOM 1778 NZ LYS A 107 9.217 -11.136 -9.533 1.00 25.50 N ATOM 0 H LYS A 107 4.371 -8.112 -9.581 1.00 40.03 H new ATOM 0 HA LYS A 107 5.876 -9.853 -7.927 1.00 64.31 H new ATOM 0 HB2 LYS A 107 6.144 -6.842 -8.221 1.00 51.33 H new ATOM 0 HB3 LYS A 107 7.382 -7.962 -7.687 1.00 51.33 H new ATOM 0 HG2 LYS A 107 6.199 -7.763 -10.474 1.00 44.34 H new ATOM 0 HG3 LYS A 107 7.809 -7.281 -9.979 1.00 44.34 H new ATOM 0 HD2 LYS A 107 6.707 -10.115 -9.987 1.00 3.14 H new ATOM 0 HD3 LYS A 107 7.863 -9.451 -11.124 1.00 3.14 H new ATOM 0 HE2 LYS A 107 9.453 -9.057 -9.215 1.00 12.54 H new ATOM 0 HE3 LYS A 107 8.307 -9.830 -8.138 1.00 12.54 H new ATOM 0 HZ1 LYS A 107 9.992 -11.380 -8.883 1.00 25.50 H new ATOM 0 HZ2 LYS A 107 8.468 -11.855 -9.464 1.00 25.50 H new ATOM 0 HZ3 LYS A 107 9.579 -11.106 -10.507 1.00 25.50 H new ATOM 1792 N LEU A 108 4.363 -7.295 -6.439 1.00 2.44 N ATOM 1793 CA LEU A 108 3.905 -6.785 -5.152 1.00 23.01 C ATOM 1794 C LEU A 108 2.723 -7.597 -4.636 1.00 13.25 C ATOM 1795 O LEU A 108 2.535 -7.727 -3.423 1.00 45.44 O ATOM 1796 CB LEU A 108 3.560 -5.287 -5.258 1.00 23.32 C ATOM 1797 CG LEU A 108 2.529 -4.900 -6.328 1.00 70.42 C ATOM 1798 CD1 LEU A 108 1.107 -5.024 -5.797 1.00 31.23 C ATOM 1799 CD2 LEU A 108 2.786 -3.488 -6.831 1.00 53.33 C ATOM 0 H LEU A 108 4.201 -6.665 -7.224 1.00 2.44 H new ATOM 0 HA LEU A 108 4.714 -6.891 -4.429 1.00 23.01 H new ATOM 0 HB2 LEU A 108 3.190 -4.952 -4.289 1.00 23.32 H new ATOM 0 HB3 LEU A 108 4.480 -4.737 -5.455 1.00 23.32 H new ATOM 0 HG LEU A 108 2.638 -5.594 -7.162 1.00 70.42 H new ATOM 0 HD11 LEU A 108 0.401 -4.743 -6.578 1.00 31.23 H new ATOM 0 HD12 LEU A 108 0.921 -6.054 -5.493 1.00 31.23 H new ATOM 0 HD13 LEU A 108 0.980 -4.364 -4.939 1.00 31.23 H new ATOM 0 HD21 LEU A 108 2.046 -3.231 -7.589 1.00 53.33 H new ATOM 0 HD22 LEU A 108 2.713 -2.787 -6.000 1.00 53.33 H new ATOM 0 HD23 LEU A 108 3.784 -3.433 -7.266 1.00 53.33 H new ATOM 1811 N TRP A 109 1.939 -8.142 -5.559 1.00 23.22 N ATOM 1812 CA TRP A 109 0.822 -9.000 -5.203 1.00 21.40 C ATOM 1813 C TRP A 109 1.310 -10.217 -4.425 1.00 23.35 C ATOM 1814 O TRP A 109 0.944 -10.410 -3.265 1.00 22.33 O ATOM 1815 CB TRP A 109 0.056 -9.434 -6.463 1.00 71.12 C ATOM 1816 CG TRP A 109 -0.891 -10.571 -6.234 1.00 51.50 C ATOM 1817 CD1 TRP A 109 -1.808 -10.687 -5.231 1.00 35.30 C ATOM 1818 CD2 TRP A 109 -1.015 -11.755 -7.029 1.00 63.51 C ATOM 1819 NE1 TRP A 109 -2.477 -11.877 -5.341 1.00 33.55 N ATOM 1820 CE2 TRP A 109 -2.016 -12.548 -6.441 1.00 34.14 C ATOM 1821 CE3 TRP A 109 -0.375 -12.222 -8.183 1.00 1.24 C ATOM 1822 CZ2 TRP A 109 -2.391 -13.784 -6.962 1.00 71.43 C ATOM 1823 CZ3 TRP A 109 -0.750 -13.448 -8.700 1.00 1.43 C ATOM 1824 CH2 TRP A 109 -1.750 -14.215 -8.091 1.00 21.21 C ATOM 0 H TRP A 109 2.059 -8.002 -6.562 1.00 23.22 H new ATOM 0 HA TRP A 109 0.142 -8.436 -4.565 1.00 21.40 H new ATOM 0 HB2 TRP A 109 -0.502 -8.581 -6.849 1.00 71.12 H new ATOM 0 HB3 TRP A 109 0.773 -9.720 -7.232 1.00 71.12 H new ATOM 0 HD1 TRP A 109 -1.981 -9.948 -4.462 1.00 35.30 H new ATOM 0 HE1 TRP A 109 -3.202 -12.210 -4.705 1.00 33.55 H new ATOM 0 HE3 TRP A 109 0.397 -11.636 -8.660 1.00 1.24 H new ATOM 0 HZ2 TRP A 109 -3.159 -14.380 -6.492 1.00 71.43 H new ATOM 0 HZ3 TRP A 109 -0.263 -13.820 -9.589 1.00 1.43 H new ATOM 0 HH2 TRP A 109 -2.021 -15.168 -8.522 1.00 21.21 H new ATOM 1835 N ARG A 110 2.166 -11.016 -5.049 1.00 14.33 N ATOM 1836 CA ARG A 110 2.635 -12.248 -4.432 1.00 75.12 C ATOM 1837 C ARG A 110 3.529 -11.967 -3.229 1.00 23.30 C ATOM 1838 O ARG A 110 3.619 -12.784 -2.312 1.00 72.41 O ATOM 1839 CB ARG A 110 3.354 -13.126 -5.456 1.00 71.25 C ATOM 1840 CG ARG A 110 2.405 -13.753 -6.464 1.00 12.14 C ATOM 1841 CD ARG A 110 3.103 -14.772 -7.346 1.00 23.21 C ATOM 1842 NE ARG A 110 3.996 -14.155 -8.324 1.00 34.34 N ATOM 1843 CZ ARG A 110 4.754 -14.855 -9.169 1.00 73.33 C ATOM 1844 NH1 ARG A 110 4.790 -16.180 -9.090 1.00 55.11 N ATOM 1845 NH2 ARG A 110 5.480 -14.235 -10.087 1.00 34.52 N ATOM 0 H ARG A 110 2.548 -10.834 -5.977 1.00 14.33 H new ATOM 0 HA ARG A 110 1.762 -12.790 -4.069 1.00 75.12 H new ATOM 0 HB2 ARG A 110 4.095 -12.527 -5.985 1.00 71.25 H new ATOM 0 HB3 ARG A 110 3.896 -13.915 -4.935 1.00 71.25 H new ATOM 0 HG2 ARG A 110 1.582 -14.234 -5.936 1.00 12.14 H new ATOM 0 HG3 ARG A 110 1.970 -12.972 -7.087 1.00 12.14 H new ATOM 0 HD2 ARG A 110 3.675 -15.457 -6.720 1.00 23.21 H new ATOM 0 HD3 ARG A 110 2.354 -15.367 -7.869 1.00 23.21 H new ATOM 0 HE ARG A 110 4.042 -13.137 -8.362 1.00 34.34 H new ATOM 0 HH11 ARG A 110 4.237 -16.664 -8.382 1.00 55.11 H new ATOM 0 HH12 ARG A 110 5.370 -16.714 -9.737 1.00 55.11 H new ATOM 0 HH21 ARG A 110 5.461 -13.217 -10.150 1.00 34.52 H new ATOM 0 HH22 ARG A 110 6.058 -14.775 -10.731 1.00 34.52 H new ATOM 1859 N ARG A 111 4.168 -10.802 -3.224 1.00 74.41 N ATOM 1860 CA ARG A 111 4.975 -10.380 -2.085 1.00 33.13 C ATOM 1861 C ARG A 111 4.101 -10.225 -0.838 1.00 64.32 C ATOM 1862 O ARG A 111 4.513 -10.578 0.264 1.00 61.22 O ATOM 1863 CB ARG A 111 5.704 -9.067 -2.398 1.00 14.42 C ATOM 1864 CG ARG A 111 6.522 -8.524 -1.234 1.00 1.14 C ATOM 1865 CD ARG A 111 7.563 -9.524 -0.756 1.00 40.51 C ATOM 1866 NE ARG A 111 8.549 -9.840 -1.786 1.00 61.51 N ATOM 1867 CZ ARG A 111 9.324 -10.921 -1.764 1.00 12.13 C ATOM 1868 NH1 ARG A 111 9.204 -11.803 -0.781 1.00 32.31 N ATOM 1869 NH2 ARG A 111 10.212 -11.122 -2.731 1.00 1.54 N ATOM 0 H ARG A 111 4.143 -10.134 -3.995 1.00 74.41 H new ATOM 0 HA ARG A 111 5.722 -11.149 -1.889 1.00 33.13 H new ATOM 0 HB2 ARG A 111 6.364 -9.223 -3.251 1.00 14.42 H new ATOM 0 HB3 ARG A 111 4.971 -8.317 -2.695 1.00 14.42 H new ATOM 0 HG2 ARG A 111 7.017 -7.602 -1.538 1.00 1.14 H new ATOM 0 HG3 ARG A 111 5.856 -8.271 -0.409 1.00 1.14 H new ATOM 0 HD2 ARG A 111 8.073 -9.122 0.120 1.00 40.51 H new ATOM 0 HD3 ARG A 111 7.064 -10.441 -0.442 1.00 40.51 H new ATOM 0 HE ARG A 111 8.649 -9.194 -2.569 1.00 61.51 H new ATOM 0 HH11 ARG A 111 8.517 -11.653 -0.042 1.00 32.31 H new ATOM 0 HH12 ARG A 111 9.798 -12.632 -0.764 1.00 32.31 H new ATOM 0 HH21 ARG A 111 10.300 -10.447 -3.491 1.00 1.54 H new ATOM 0 HH22 ARG A 111 10.806 -11.951 -2.714 1.00 1.54 H new ATOM 1883 N HIS A 112 2.887 -9.711 -1.018 1.00 20.22 N ATOM 1884 CA HIS A 112 1.958 -9.553 0.099 1.00 43.13 C ATOM 1885 C HIS A 112 1.178 -10.841 0.337 1.00 44.32 C ATOM 1886 O HIS A 112 0.875 -11.188 1.478 1.00 10.24 O ATOM 1887 CB HIS A 112 0.985 -8.389 -0.138 1.00 61.43 C ATOM 1888 CG HIS A 112 1.597 -7.030 0.046 1.00 21.24 C ATOM 1889 ND1 HIS A 112 1.441 -6.279 1.197 1.00 61.31 N ATOM 1890 CD2 HIS A 112 2.358 -6.278 -0.784 1.00 51.40 C ATOM 1891 CE1 HIS A 112 2.076 -5.129 1.060 1.00 64.42 C ATOM 1892 NE2 HIS A 112 2.640 -5.102 -0.133 1.00 44.21 N ATOM 0 H HIS A 112 2.525 -9.399 -1.919 1.00 20.22 H new ATOM 0 HA HIS A 112 2.550 -9.326 0.985 1.00 43.13 H new ATOM 0 HB2 HIS A 112 0.588 -8.462 -1.150 1.00 61.43 H new ATOM 0 HB3 HIS A 112 0.141 -8.491 0.544 1.00 61.43 H new ATOM 0 HD1 HIS A 112 0.917 -6.568 2.023 1.00 61.31 H new ATOM 0 HD2 HIS A 112 2.684 -6.553 -1.776 1.00 51.40 H new ATOM 0 HE1 HIS A 112 2.125 -4.343 1.799 1.00 64.42 H new ATOM 1901 N CYS A 113 0.873 -11.552 -0.743 1.00 24.20 N ATOM 1902 CA CYS A 113 0.111 -12.795 -0.665 1.00 71.44 C ATOM 1903 C CYS A 113 0.870 -13.854 0.139 1.00 4.33 C ATOM 1904 O CYS A 113 0.268 -14.661 0.848 1.00 50.41 O ATOM 1905 CB CYS A 113 -0.195 -13.316 -2.077 1.00 44.42 C ATOM 1906 SG CYS A 113 -1.315 -14.735 -2.128 1.00 51.52 S ATOM 0 H CYS A 113 1.144 -11.287 -1.690 1.00 24.20 H new ATOM 0 HA CYS A 113 -0.828 -12.589 -0.151 1.00 71.44 H new ATOM 0 HB2 CYS A 113 -0.629 -12.506 -2.663 1.00 44.42 H new ATOM 0 HB3 CYS A 113 0.743 -13.592 -2.560 1.00 44.42 H new ATOM 0 HG CYS A 113 -1.507 -15.092 -3.363 1.00 51.52 H new ATOM 1912 N ARG A 114 2.195 -13.842 0.033 1.00 61.55 N ATOM 1913 CA ARG A 114 3.036 -14.767 0.786 1.00 33.22 C ATOM 1914 C ARG A 114 3.604 -14.104 2.038 1.00 23.54 C ATOM 1915 O ARG A 114 4.560 -14.599 2.637 1.00 31.13 O ATOM 1916 CB ARG A 114 4.169 -15.300 -0.094 1.00 42.52 C ATOM 1917 CG ARG A 114 3.766 -16.500 -0.933 1.00 52.42 C ATOM 1918 CD ARG A 114 3.444 -17.692 -0.047 1.00 65.43 C ATOM 1919 NE ARG A 114 2.960 -18.840 -0.810 1.00 71.41 N ATOM 1920 CZ ARG A 114 3.097 -20.107 -0.414 1.00 51.24 C ATOM 1921 NH1 ARG A 114 3.731 -20.395 0.715 1.00 64.44 N ATOM 1922 NH2 ARG A 114 2.596 -21.090 -1.144 1.00 34.12 N ATOM 0 H ARG A 114 2.711 -13.200 -0.569 1.00 61.55 H new ATOM 0 HA ARG A 114 2.413 -15.604 1.101 1.00 33.22 H new ATOM 0 HB2 ARG A 114 4.512 -14.503 -0.754 1.00 42.52 H new ATOM 0 HB3 ARG A 114 5.012 -15.575 0.539 1.00 42.52 H new ATOM 0 HG2 ARG A 114 2.898 -16.249 -1.542 1.00 52.42 H new ATOM 0 HG3 ARG A 114 4.573 -16.758 -1.619 1.00 52.42 H new ATOM 0 HD2 ARG A 114 4.336 -17.979 0.509 1.00 65.43 H new ATOM 0 HD3 ARG A 114 2.691 -17.403 0.686 1.00 65.43 H new ATOM 0 HE ARG A 114 2.490 -18.663 -1.698 1.00 71.41 H new ATOM 0 HH11 ARG A 114 4.118 -19.645 1.288 1.00 64.44 H new ATOM 0 HH12 ARG A 114 3.831 -21.366 1.010 1.00 64.44 H new ATOM 0 HH21 ARG A 114 2.103 -20.881 -2.012 1.00 34.12 H new ATOM 0 HH22 ARG A 114 2.702 -22.057 -0.839 1.00 34.12 H new ATOM 1936 N LEU A 115 3.006 -12.991 2.433 1.00 51.33 N ATOM 1937 CA LEU A 115 3.402 -12.304 3.657 1.00 34.33 C ATOM 1938 C LEU A 115 2.239 -12.275 4.642 1.00 32.05 C ATOM 1939 O LEU A 115 2.430 -12.334 5.856 1.00 11.20 O ATOM 1940 CB LEU A 115 3.862 -10.875 3.347 1.00 70.35 C ATOM 1941 CG LEU A 115 4.389 -10.076 4.542 1.00 42.20 C ATOM 1942 CD1 LEU A 115 5.630 -10.740 5.124 1.00 71.31 C ATOM 1943 CD2 LEU A 115 4.691 -8.643 4.129 1.00 3.21 C ATOM 0 H LEU A 115 2.244 -12.542 1.925 1.00 51.33 H new ATOM 0 HA LEU A 115 4.234 -12.848 4.105 1.00 34.33 H new ATOM 0 HB2 LEU A 115 4.645 -10.921 2.590 1.00 70.35 H new ATOM 0 HB3 LEU A 115 3.026 -10.330 2.909 1.00 70.35 H new ATOM 0 HG LEU A 115 3.619 -10.058 5.313 1.00 42.20 H new ATOM 0 HD11 LEU A 115 5.990 -10.158 5.972 1.00 71.31 H new ATOM 0 HD12 LEU A 115 5.382 -11.748 5.455 1.00 71.31 H new ATOM 0 HD13 LEU A 115 6.408 -10.790 4.362 1.00 71.31 H new ATOM 0 HD21 LEU A 115 5.065 -8.088 4.989 1.00 3.21 H new ATOM 0 HD22 LEU A 115 5.445 -8.642 3.341 1.00 3.21 H new ATOM 0 HD23 LEU A 115 3.780 -8.171 3.760 1.00 3.21 H new ATOM 1955 N ALA A 116 1.025 -12.211 4.105 1.00 14.43 N ATOM 1956 CA ALA A 116 -0.181 -12.143 4.925 1.00 61.54 C ATOM 1957 C ALA A 116 -0.505 -13.490 5.566 1.00 11.33 C ATOM 1958 O ALA A 116 -1.459 -13.609 6.333 1.00 33.12 O ATOM 1959 CB ALA A 116 -1.356 -11.660 4.088 1.00 52.33 C ATOM 0 H ALA A 116 0.849 -12.205 3.100 1.00 14.43 H new ATOM 0 HA ALA A 116 0.003 -11.432 5.730 1.00 61.54 H new ATOM 0 HB1 ALA A 116 -2.250 -11.613 4.709 1.00 52.33 H new ATOM 0 HB2 ALA A 116 -1.137 -10.669 3.691 1.00 52.33 H new ATOM 0 HB3 ALA A 116 -1.524 -12.352 3.263 1.00 52.33 H new ATOM 1965 N ARG A 117 0.290 -14.505 5.250 1.00 23.02 N ATOM 1966 CA ARG A 117 0.089 -15.832 5.818 1.00 42.44 C ATOM 1967 C ARG A 117 0.987 -16.032 7.033 1.00 70.20 C ATOM 1968 O ARG A 117 0.952 -17.080 7.681 1.00 2.45 O ATOM 1969 CB ARG A 117 0.368 -16.917 4.774 1.00 21.23 C ATOM 1970 CG ARG A 117 -0.522 -16.826 3.545 1.00 63.00 C ATOM 1971 CD ARG A 117 -1.996 -16.875 3.917 1.00 21.21 C ATOM 1972 NE ARG A 117 -2.859 -16.862 2.738 1.00 1.40 N ATOM 1973 CZ ARG A 117 -4.159 -16.569 2.767 1.00 30.50 C ATOM 1974 NH1 ARG A 117 -4.737 -16.180 3.896 1.00 3.12 N ATOM 1975 NH2 ARG A 117 -4.880 -16.647 1.657 1.00 50.02 N ATOM 0 H ARG A 117 1.077 -14.435 4.606 1.00 23.02 H new ATOM 0 HA ARG A 117 -0.952 -15.913 6.132 1.00 42.44 H new ATOM 0 HB2 ARG A 117 1.410 -16.850 4.463 1.00 21.23 H new ATOM 0 HB3 ARG A 117 0.236 -17.896 5.236 1.00 21.23 H new ATOM 0 HG2 ARG A 117 -0.312 -15.900 3.010 1.00 63.00 H new ATOM 0 HG3 ARG A 117 -0.290 -17.646 2.865 1.00 63.00 H new ATOM 0 HD2 ARG A 117 -2.193 -17.774 4.500 1.00 21.21 H new ATOM 0 HD3 ARG A 117 -2.238 -16.023 4.553 1.00 21.21 H new ATOM 0 HE ARG A 117 -2.441 -17.091 1.837 1.00 1.40 H new ATOM 0 HH11 ARG A 117 -4.186 -16.103 4.751 1.00 3.12 H new ATOM 0 HH12 ARG A 117 -5.732 -15.958 3.909 1.00 3.12 H new ATOM 0 HH21 ARG A 117 -4.440 -16.931 0.782 1.00 50.02 H new ATOM 0 HH22 ARG A 117 -5.875 -16.423 1.678 1.00 50.02 H new ATOM 1989 N GLY A 118 1.792 -15.022 7.336 1.00 43.04 N ATOM 1990 CA GLY A 118 2.679 -15.090 8.478 1.00 3.20 C ATOM 1991 C GLY A 118 2.586 -13.848 9.336 1.00 2.42 C ATOM 1992 O GLY A 118 3.511 -13.034 9.373 1.00 43.15 O ATOM 0 H GLY A 118 1.845 -14.152 6.806 1.00 43.04 H new ATOM 0 HA2 GLY A 118 2.432 -15.966 9.078 1.00 3.20 H new ATOM 0 HA3 GLY A 118 3.705 -15.218 8.134 1.00 3.20 H new ATOM 1996 N SER A 119 1.466 -13.698 10.020 1.00 4.21 N ATOM 1997 CA SER A 119 1.226 -12.534 10.851 1.00 73.00 C ATOM 1998 C SER A 119 1.084 -12.940 12.315 1.00 13.10 C ATOM 1999 O SER A 119 0.074 -13.590 12.664 1.00 32.33 O ATOM 2000 CB SER A 119 -0.025 -11.802 10.366 1.00 52.44 C ATOM 2001 OG SER A 119 0.097 -11.467 8.993 1.00 74.23 O ATOM 2002 OXT SER A 119 1.987 -12.608 13.113 1.00 0.00 O ATOM 0 H SER A 119 0.703 -14.375 10.015 1.00 4.21 H new ATOM 0 HA SER A 119 2.079 -11.860 10.772 1.00 73.00 H new ATOM 0 HB2 SER A 119 -0.903 -12.431 10.517 1.00 52.44 H new ATOM 0 HB3 SER A 119 -0.176 -10.897 10.955 1.00 52.44 H new ATOM 0 HG SER A 119 -0.712 -11.000 8.697 1.00 74.23 H new TER 2008 SER A 119