USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 52 HIS : no HD1:sc= 0.624! C(o=0.27!,f=-12!) USER MOD Set 1.2: A 95 CYS SG : rot -95:sc= -0.352! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.188! (180deg=-0.95!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0786 X(o=-0.079,f=-0.013) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 177:sc= 0 (180deg=-0.0378) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -108:sc= -0.109 (180deg=-2.53!) USER MOD Single : A 29 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 31 TYR OH : rot 30:sc= 0.159 USER MOD Single : A 38 SER OG : rot 180:sc= -0.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.583 (180deg=0.574) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= -1.22 (180deg=-1.49) USER MOD Single : A 65 ASN : amide:sc= -0.674 K(o=-0.67,f=-4.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -22:sc= 1.13 USER MOD Single : A 76 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) USER MOD Single : A 77 CYS SG : rot 12:sc= -1.46! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= -0.042 (180deg=-0.37) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS :FLIP no HE2:sc= 0.409 F(o=-1.4,f=0.41) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.0515 K(o=-0.051,f=-0.79) USER MOD Single : A 104 HIS : no HE2:sc= -0.0415 K(o=-0.042,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.242 1.380 2.093 1.00 31.32 N ATOM 2 CA MET A 1 1.181 0.266 1.777 1.00 11.00 C ATOM 3 C MET A 1 0.597 -0.677 0.717 1.00 33.13 C ATOM 4 O MET A 1 -0.531 -1.158 0.856 1.00 32.03 O ATOM 5 CB MET A 1 1.512 -0.539 3.044 1.00 64.24 C ATOM 6 CG MET A 1 2.058 0.303 4.185 1.00 23.41 C ATOM 7 SD MET A 1 0.861 1.513 4.776 1.00 1.35 S ATOM 8 CE MET A 1 1.770 2.269 6.124 1.00 3.35 C ATOM 0 H1 MET A 1 0.378 1.679 3.080 1.00 31.32 H new ATOM 0 H2 MET A 1 0.430 2.183 1.459 1.00 31.32 H new ATOM 0 H3 MET A 1 -0.738 1.056 1.961 1.00 31.32 H new ATOM 0 HA MET A 1 2.092 0.714 1.381 1.00 11.00 H new ATOM 0 HB2 MET A 1 0.611 -1.051 3.382 1.00 64.24 H new ATOM 0 HB3 MET A 1 2.241 -1.309 2.793 1.00 64.24 H new ATOM 0 HG2 MET A 1 2.348 -0.350 5.008 1.00 23.41 H new ATOM 0 HG3 MET A 1 2.959 0.819 3.854 1.00 23.41 H new ATOM 0 HE1 MET A 1 1.156 3.040 6.589 1.00 3.35 H new ATOM 0 HE2 MET A 1 2.021 1.510 6.865 1.00 3.35 H new ATOM 0 HE3 MET A 1 2.686 2.717 5.739 1.00 3.35 H new ATOM 20 N ALA A 2 1.364 -0.938 -0.342 1.00 72.53 N ATOM 21 CA ALA A 2 0.960 -1.903 -1.374 1.00 44.43 C ATOM 22 C ALA A 2 1.277 -3.341 -0.934 1.00 63.43 C ATOM 23 O ALA A 2 0.668 -4.305 -1.406 1.00 14.55 O ATOM 24 CB ALA A 2 1.650 -1.586 -2.695 1.00 24.14 C ATOM 0 H ALA A 2 2.268 -0.497 -0.511 1.00 72.53 H new ATOM 0 HA ALA A 2 -0.118 -1.821 -1.514 1.00 44.43 H new ATOM 0 HB1 ALA A 2 1.341 -2.309 -3.450 1.00 24.14 H new ATOM 0 HB2 ALA A 2 1.373 -0.583 -3.019 1.00 24.14 H new ATOM 0 HB3 ALA A 2 2.731 -1.639 -2.563 1.00 24.14 H new ATOM 30 N LYS A 3 2.253 -3.475 -0.042 1.00 50.34 N ATOM 31 CA LYS A 3 2.600 -4.771 0.552 1.00 34.43 C ATOM 32 C LYS A 3 1.904 -4.961 1.909 1.00 41.45 C ATOM 33 O LYS A 3 1.187 -4.073 2.384 1.00 71.24 O ATOM 34 CB LYS A 3 4.120 -4.867 0.734 1.00 52.43 C ATOM 35 CG LYS A 3 4.686 -3.814 1.686 1.00 20.24 C ATOM 36 CD LYS A 3 6.207 -3.876 1.779 1.00 71.13 C ATOM 37 CE LYS A 3 6.694 -5.207 2.340 1.00 4.22 C ATOM 38 NZ LYS A 3 8.178 -5.281 2.363 1.00 63.44 N ATOM 0 H LYS A 3 2.824 -2.698 0.291 1.00 50.34 H new ATOM 0 HA LYS A 3 2.260 -5.558 -0.121 1.00 34.43 H new ATOM 0 HB2 LYS A 3 4.371 -5.859 1.110 1.00 52.43 H new ATOM 0 HB3 LYS A 3 4.602 -4.763 -0.238 1.00 52.43 H new ATOM 0 HG2 LYS A 3 4.385 -2.822 1.348 1.00 20.24 H new ATOM 0 HG3 LYS A 3 4.257 -3.956 2.678 1.00 20.24 H new ATOM 0 HD2 LYS A 3 6.637 -3.721 0.789 1.00 71.13 H new ATOM 0 HD3 LYS A 3 6.564 -3.064 2.412 1.00 71.13 H new ATOM 0 HE2 LYS A 3 6.307 -5.340 3.350 1.00 4.22 H new ATOM 0 HE3 LYS A 3 6.298 -6.024 1.737 1.00 4.22 H new ATOM 0 HZ1 LYS A 3 8.474 -6.200 2.750 1.00 63.44 H new ATOM 0 HZ2 LYS A 3 8.546 -5.179 1.396 1.00 63.44 H new ATOM 0 HZ3 LYS A 3 8.555 -4.516 2.959 1.00 63.44 H new ATOM 52 N ALA A 4 2.115 -6.116 2.532 1.00 21.45 N ATOM 53 CA ALA A 4 1.583 -6.370 3.872 1.00 62.12 C ATOM 54 C ALA A 4 2.423 -5.653 4.945 1.00 61.32 C ATOM 55 O ALA A 4 3.657 -5.673 4.900 1.00 15.30 O ATOM 56 CB ALA A 4 1.530 -7.869 4.146 1.00 14.42 C ATOM 0 H ALA A 4 2.648 -6.890 2.135 1.00 21.45 H new ATOM 0 HA ALA A 4 0.570 -5.971 3.917 1.00 62.12 H new ATOM 0 HB1 ALA A 4 1.132 -8.042 5.146 1.00 14.42 H new ATOM 0 HB2 ALA A 4 0.885 -8.351 3.411 1.00 14.42 H new ATOM 0 HB3 ALA A 4 2.534 -8.287 4.077 1.00 14.42 H new ATOM 62 N GLN A 5 1.749 -5.024 5.908 1.00 55.12 N ATOM 63 CA GLN A 5 2.426 -4.287 6.987 1.00 33.03 C ATOM 64 C GLN A 5 3.121 -5.237 7.983 1.00 44.22 C ATOM 65 O GLN A 5 2.748 -6.409 8.097 1.00 53.13 O ATOM 66 CB GLN A 5 1.411 -3.407 7.735 1.00 14.10 C ATOM 67 CG GLN A 5 0.786 -2.314 6.873 1.00 22.32 C ATOM 68 CD GLN A 5 -0.227 -1.463 7.626 1.00 23.10 C ATOM 69 OE1 GLN A 5 -0.031 -1.291 8.919 1.00 64.42 O flip ATOM 70 NE2 GLN A 5 -1.178 -0.955 7.046 1.00 70.55 N flip ATOM 0 H GLN A 5 0.731 -5.008 5.967 1.00 55.12 H new ATOM 0 HA GLN A 5 3.193 -3.663 6.529 1.00 33.03 H new ATOM 0 HB2 GLN A 5 0.618 -4.041 8.132 1.00 14.10 H new ATOM 0 HB3 GLN A 5 1.906 -2.944 8.589 1.00 14.10 H new ATOM 0 HG2 GLN A 5 1.575 -1.670 6.485 1.00 22.32 H new ATOM 0 HG3 GLN A 5 0.298 -2.773 6.013 1.00 22.32 H new ATOM 0 HE21 GLN A 5 -1.304 -1.105 6.045 1.00 70.55 H new ATOM 0 HE22 GLN A 5 -1.844 -0.381 7.564 1.00 70.55 H new ATOM 79 N PRO A 6 4.158 -4.748 8.703 1.00 34.22 N ATOM 80 CA PRO A 6 4.818 -5.519 9.773 1.00 62.21 C ATOM 81 C PRO A 6 3.817 -6.048 10.811 1.00 3.01 C ATOM 82 O PRO A 6 2.813 -5.398 11.111 1.00 44.23 O ATOM 83 CB PRO A 6 5.779 -4.499 10.409 1.00 65.01 C ATOM 84 CG PRO A 6 6.054 -3.519 9.320 1.00 61.13 C ATOM 85 CD PRO A 6 4.780 -3.420 8.522 1.00 22.30 C ATOM 0 HA PRO A 6 5.319 -6.407 9.389 1.00 62.21 H new ATOM 0 HB2 PRO A 6 5.328 -4.014 11.275 1.00 65.01 H new ATOM 0 HB3 PRO A 6 6.696 -4.978 10.753 1.00 65.01 H new ATOM 0 HG2 PRO A 6 6.335 -2.549 9.730 1.00 61.13 H new ATOM 0 HG3 PRO A 6 6.882 -3.853 8.694 1.00 61.13 H new ATOM 0 HD2 PRO A 6 4.136 -2.621 8.890 1.00 22.30 H new ATOM 0 HD3 PRO A 6 4.979 -3.210 7.471 1.00 22.30 H new ATOM 93 N ILE A 7 4.096 -7.222 11.367 1.00 74.42 N ATOM 94 CA ILE A 7 3.164 -7.873 12.288 1.00 1.51 C ATOM 95 C ILE A 7 3.126 -7.138 13.637 1.00 51.10 C ATOM 96 O ILE A 7 3.957 -7.376 14.511 1.00 45.35 O ATOM 97 CB ILE A 7 3.511 -9.377 12.513 1.00 31.11 C ATOM 98 CG1 ILE A 7 3.409 -10.182 11.195 1.00 55.13 C ATOM 99 CG2 ILE A 7 2.592 -9.988 13.578 1.00 63.13 C ATOM 100 CD1 ILE A 7 4.470 -9.850 10.161 1.00 40.04 C ATOM 0 H ILE A 7 4.957 -7.743 11.198 1.00 74.42 H new ATOM 0 HA ILE A 7 2.179 -7.825 11.825 1.00 1.51 H new ATOM 0 HB ILE A 7 4.542 -9.430 12.863 1.00 31.11 H new ATOM 0 HG12 ILE A 7 3.470 -11.245 11.429 1.00 55.13 H new ATOM 0 HG13 ILE A 7 2.427 -10.009 10.755 1.00 55.13 H new ATOM 0 HG21 ILE A 7 2.849 -11.038 13.721 1.00 63.13 H new ATOM 0 HG22 ILE A 7 2.718 -9.452 14.519 1.00 63.13 H new ATOM 0 HG23 ILE A 7 1.555 -9.910 13.252 1.00 63.13 H new ATOM 0 HD11 ILE A 7 4.317 -10.463 9.273 1.00 40.04 H new ATOM 0 HD12 ILE A 7 4.398 -8.796 9.891 1.00 40.04 H new ATOM 0 HD13 ILE A 7 5.458 -10.052 10.576 1.00 40.04 H new ATOM 112 N GLU A 8 2.180 -6.213 13.779 1.00 45.11 N ATOM 113 CA GLU A 8 2.021 -5.446 15.021 1.00 0.31 C ATOM 114 C GLU A 8 0.790 -5.934 15.807 1.00 21.51 C ATOM 115 O GLU A 8 -0.355 -5.708 15.401 1.00 61.20 O ATOM 116 CB GLU A 8 1.910 -3.941 14.694 1.00 21.13 C ATOM 117 CG GLU A 8 2.156 -2.998 15.880 1.00 2.33 C ATOM 118 CD GLU A 8 1.031 -2.995 16.905 1.00 64.43 C ATOM 119 OE1 GLU A 8 0.064 -2.220 16.732 1.00 41.22 O ATOM 120 OE2 GLU A 8 1.104 -3.759 17.884 1.00 55.34 O ATOM 0 H GLU A 8 1.508 -5.973 13.050 1.00 45.11 H new ATOM 0 HA GLU A 8 2.898 -5.602 15.650 1.00 0.31 H new ATOM 0 HB2 GLU A 8 2.624 -3.703 13.906 1.00 21.13 H new ATOM 0 HB3 GLU A 8 0.916 -3.744 14.293 1.00 21.13 H new ATOM 0 HG2 GLU A 8 3.084 -3.285 16.374 1.00 2.33 H new ATOM 0 HG3 GLU A 8 2.295 -1.984 15.504 1.00 2.33 H new ATOM 127 N ILE A 9 1.031 -6.606 16.934 1.00 55.04 N ATOM 128 CA ILE A 9 -0.049 -7.150 17.767 1.00 64.45 C ATOM 129 C ILE A 9 0.031 -6.641 19.222 1.00 31.35 C ATOM 130 O ILE A 9 1.008 -6.899 19.929 1.00 62.14 O ATOM 131 CB ILE A 9 -0.024 -8.702 17.772 1.00 52.14 C ATOM 132 CG1 ILE A 9 -0.154 -9.251 16.338 1.00 4.40 C ATOM 133 CG2 ILE A 9 -1.137 -9.259 18.664 1.00 60.03 C ATOM 134 CD1 ILE A 9 -0.107 -10.766 16.253 1.00 73.12 C ATOM 0 H ILE A 9 1.968 -6.788 17.294 1.00 55.04 H new ATOM 0 HA ILE A 9 -0.983 -6.802 17.327 1.00 64.45 H new ATOM 0 HB ILE A 9 0.934 -9.026 18.179 1.00 52.14 H new ATOM 0 HG12 ILE A 9 -1.093 -8.902 15.909 1.00 4.40 H new ATOM 0 HG13 ILE A 9 0.648 -8.837 15.727 1.00 4.40 H new ATOM 0 HG21 ILE A 9 -1.101 -10.348 18.653 1.00 60.03 H new ATOM 0 HG22 ILE A 9 -0.999 -8.902 19.684 1.00 60.03 H new ATOM 0 HG23 ILE A 9 -2.105 -8.924 18.290 1.00 60.03 H new ATOM 0 HD11 ILE A 9 -0.205 -11.075 15.212 1.00 73.12 H new ATOM 0 HD12 ILE A 9 0.843 -11.123 16.650 1.00 73.12 H new ATOM 0 HD13 ILE A 9 -0.926 -11.189 16.835 1.00 73.12 H new ATOM 146 N ALA A 10 -0.998 -5.898 19.648 1.00 41.21 N ATOM 147 CA ALA A 10 -1.154 -5.478 21.057 1.00 50.11 C ATOM 148 C ALA A 10 -0.040 -4.522 21.529 1.00 34.41 C ATOM 149 O ALA A 10 0.210 -4.393 22.730 1.00 4.42 O ATOM 150 CB ALA A 10 -1.219 -6.704 21.969 1.00 53.24 C ATOM 0 H ALA A 10 -1.744 -5.570 19.035 1.00 41.21 H new ATOM 0 HA ALA A 10 -2.090 -4.923 21.117 1.00 50.11 H new ATOM 0 HB1 ALA A 10 -1.334 -6.382 23.004 1.00 53.24 H new ATOM 0 HB2 ALA A 10 -2.070 -7.324 21.685 1.00 53.24 H new ATOM 0 HB3 ALA A 10 -0.300 -7.281 21.869 1.00 53.24 H new ATOM 156 N GLY A 11 0.598 -3.833 20.590 1.00 74.25 N ATOM 157 CA GLY A 11 1.706 -2.940 20.926 1.00 44.41 C ATOM 158 C GLY A 11 3.067 -3.604 20.743 1.00 2.34 C ATOM 159 O GLY A 11 4.037 -3.257 21.418 1.00 43.13 O ATOM 0 H GLY A 11 0.371 -3.873 19.596 1.00 74.25 H new ATOM 0 HA2 GLY A 11 1.653 -2.049 20.300 1.00 44.41 H new ATOM 0 HA3 GLY A 11 1.602 -2.610 21.960 1.00 44.41 H new ATOM 163 N HIS A 12 3.132 -4.571 19.827 1.00 34.24 N ATOM 164 CA HIS A 12 4.368 -5.316 19.555 1.00 21.22 C ATOM 165 C HIS A 12 4.568 -5.511 18.043 1.00 61.43 C ATOM 166 O HIS A 12 3.880 -6.319 17.420 1.00 71.24 O ATOM 167 CB HIS A 12 4.335 -6.688 20.247 1.00 52.31 C ATOM 168 CG HIS A 12 4.123 -6.629 21.730 1.00 30.41 C ATOM 169 ND1 HIS A 12 5.154 -6.533 22.640 1.00 15.31 N ATOM 170 CD2 HIS A 12 2.986 -6.668 22.464 1.00 43.30 C ATOM 171 CE1 HIS A 12 4.663 -6.517 23.862 1.00 14.11 C ATOM 172 NE2 HIS A 12 3.352 -6.599 23.785 1.00 53.44 N ATOM 0 H HIS A 12 2.338 -4.860 19.256 1.00 34.24 H new ATOM 0 HA HIS A 12 5.201 -4.734 19.950 1.00 21.22 H new ATOM 0 HB2 HIS A 12 3.540 -7.287 19.802 1.00 52.31 H new ATOM 0 HB3 HIS A 12 5.273 -7.205 20.047 1.00 52.31 H new ATOM 0 HD2 HIS A 12 1.979 -6.740 22.081 1.00 43.30 H new ATOM 0 HE1 HIS A 12 5.239 -6.448 24.773 1.00 14.11 H new ATOM 0 HE2 HIS A 12 2.711 -6.610 24.579 1.00 53.44 H new ATOM 181 N GLU A 13 5.505 -4.768 17.464 1.00 61.45 N ATOM 182 CA GLU A 13 5.792 -4.857 16.026 1.00 65.32 C ATOM 183 C GLU A 13 6.853 -5.929 15.721 1.00 64.32 C ATOM 184 O GLU A 13 7.886 -6.012 16.391 1.00 72.35 O ATOM 185 CB GLU A 13 6.251 -3.488 15.500 1.00 55.21 C ATOM 186 CG GLU A 13 7.481 -2.928 16.214 1.00 4.52 C ATOM 187 CD GLU A 13 7.817 -1.505 15.791 1.00 54.13 C ATOM 188 OE1 GLU A 13 7.273 -0.555 16.397 1.00 72.41 O ATOM 189 OE2 GLU A 13 8.625 -1.328 14.856 1.00 12.30 O ATOM 0 H GLU A 13 6.083 -4.094 17.965 1.00 61.45 H new ATOM 0 HA GLU A 13 4.874 -5.152 15.518 1.00 65.32 H new ATOM 0 HB2 GLU A 13 6.469 -3.574 14.436 1.00 55.21 H new ATOM 0 HB3 GLU A 13 5.430 -2.778 15.601 1.00 55.21 H new ATOM 0 HG2 GLU A 13 7.311 -2.951 17.290 1.00 4.52 H new ATOM 0 HG3 GLU A 13 8.336 -3.573 16.012 1.00 4.52 H new ATOM 196 N PHE A 14 6.589 -6.751 14.707 1.00 72.30 N ATOM 197 CA PHE A 14 7.518 -7.810 14.293 1.00 14.44 C ATOM 198 C PHE A 14 7.872 -7.693 12.801 1.00 64.24 C ATOM 199 O PHE A 14 7.024 -7.352 11.971 1.00 23.44 O ATOM 200 CB PHE A 14 6.911 -9.189 14.590 1.00 2.14 C ATOM 201 CG PHE A 14 6.632 -9.416 16.057 1.00 30.32 C ATOM 202 CD1 PHE A 14 7.658 -9.759 16.927 1.00 53.53 C ATOM 203 CD2 PHE A 14 5.347 -9.282 16.566 1.00 12.23 C ATOM 204 CE1 PHE A 14 7.407 -9.964 18.270 1.00 14.24 C ATOM 205 CE2 PHE A 14 5.093 -9.487 17.907 1.00 71.03 C ATOM 206 CZ PHE A 14 6.124 -9.828 18.761 1.00 34.21 C ATOM 0 H PHE A 14 5.735 -6.706 14.152 1.00 72.30 H new ATOM 0 HA PHE A 14 8.439 -7.694 14.864 1.00 14.44 H new ATOM 0 HB2 PHE A 14 5.982 -9.298 14.030 1.00 2.14 H new ATOM 0 HB3 PHE A 14 7.591 -9.962 14.233 1.00 2.14 H new ATOM 0 HD1 PHE A 14 8.664 -9.867 16.550 1.00 53.53 H new ATOM 0 HD2 PHE A 14 4.536 -9.014 15.904 1.00 12.23 H new ATOM 0 HE1 PHE A 14 8.215 -10.231 18.936 1.00 14.24 H new ATOM 0 HE2 PHE A 14 4.088 -9.381 18.289 1.00 71.03 H new ATOM 0 HZ PHE A 14 5.927 -9.988 19.811 1.00 34.21 H new ATOM 216 N ALA A 15 9.129 -7.993 12.468 1.00 72.31 N ATOM 217 CA ALA A 15 9.636 -7.835 11.095 1.00 74.31 C ATOM 218 C ALA A 15 9.048 -8.876 10.124 1.00 73.24 C ATOM 219 O ALA A 15 8.727 -8.560 8.977 1.00 53.31 O ATOM 220 CB ALA A 15 11.160 -7.913 11.091 1.00 74.10 C ATOM 0 H ALA A 15 9.820 -8.348 13.129 1.00 72.31 H new ATOM 0 HA ALA A 15 9.316 -6.854 10.743 1.00 74.31 H new ATOM 0 HB1 ALA A 15 11.528 -7.795 10.072 1.00 74.10 H new ATOM 0 HB2 ALA A 15 11.567 -7.119 11.717 1.00 74.10 H new ATOM 0 HB3 ALA A 15 11.476 -8.881 11.481 1.00 74.10 H new ATOM 226 N ARG A 16 8.913 -10.118 10.579 1.00 21.24 N ATOM 227 CA ARG A 16 8.374 -11.193 9.732 1.00 63.34 C ATOM 228 C ARG A 16 7.361 -12.057 10.502 1.00 74.33 C ATOM 229 O ARG A 16 7.270 -11.975 11.725 1.00 34.42 O ATOM 230 CB ARG A 16 9.506 -12.063 9.139 1.00 0.24 C ATOM 231 CG ARG A 16 10.429 -12.747 10.158 1.00 64.31 C ATOM 232 CD ARG A 16 11.448 -11.787 10.778 1.00 13.12 C ATOM 233 NE ARG A 16 12.462 -12.501 11.561 1.00 54.33 N ATOM 234 CZ ARG A 16 13.052 -12.026 12.630 1.00 32.43 C ATOM 235 NH1 ARG A 16 12.755 -10.852 13.088 1.00 51.42 N ATOM 236 NH2 ARG A 16 13.947 -12.735 13.239 1.00 70.23 N ATOM 0 H ARG A 16 9.166 -10.410 11.523 1.00 21.24 H new ATOM 0 HA ARG A 16 7.847 -10.722 8.902 1.00 63.34 H new ATOM 0 HB2 ARG A 16 9.056 -12.832 8.511 1.00 0.24 H new ATOM 0 HB3 ARG A 16 10.116 -11.437 8.488 1.00 0.24 H new ATOM 0 HG2 ARG A 16 9.824 -13.188 10.950 1.00 64.31 H new ATOM 0 HG3 ARG A 16 10.959 -13.565 9.669 1.00 64.31 H new ATOM 0 HD2 ARG A 16 11.935 -11.214 9.989 1.00 13.12 H new ATOM 0 HD3 ARG A 16 10.931 -11.072 11.418 1.00 13.12 H new ATOM 0 HE ARG A 16 12.727 -13.436 11.251 1.00 54.33 H new ATOM 0 HH11 ARG A 16 12.053 -10.283 12.615 1.00 51.42 H new ATOM 0 HH12 ARG A 16 13.223 -10.496 13.921 1.00 51.42 H new ATOM 0 HH21 ARG A 16 14.191 -13.660 12.886 1.00 70.23 H new ATOM 0 HH22 ARG A 16 14.408 -12.368 14.072 1.00 70.23 H new ATOM 250 N LYS A 17 6.600 -12.881 9.784 1.00 43.04 N ATOM 251 CA LYS A 17 5.530 -13.683 10.399 1.00 4.13 C ATOM 252 C LYS A 17 6.077 -14.618 11.492 1.00 14.11 C ATOM 253 O LYS A 17 5.524 -14.702 12.591 1.00 45.35 O ATOM 254 CB LYS A 17 4.802 -14.510 9.329 1.00 42.42 C ATOM 255 CG LYS A 17 3.414 -14.986 9.754 1.00 71.21 C ATOM 256 CD LYS A 17 2.441 -13.816 9.878 1.00 32.15 C ATOM 257 CE LYS A 17 1.018 -14.277 10.171 1.00 62.21 C ATOM 258 NZ LYS A 17 0.059 -13.138 10.175 1.00 72.12 N ATOM 0 H LYS A 17 6.700 -13.015 8.778 1.00 43.04 H new ATOM 0 HA LYS A 17 4.829 -12.990 10.865 1.00 4.13 H new ATOM 0 HB2 LYS A 17 4.709 -13.912 8.423 1.00 42.42 H new ATOM 0 HB3 LYS A 17 5.412 -15.378 9.077 1.00 42.42 H new ATOM 0 HG2 LYS A 17 3.034 -15.702 9.026 1.00 71.21 H new ATOM 0 HG3 LYS A 17 3.482 -15.508 10.709 1.00 71.21 H new ATOM 0 HD2 LYS A 17 2.776 -13.150 10.673 1.00 32.15 H new ATOM 0 HD3 LYS A 17 2.451 -13.239 8.954 1.00 32.15 H new ATOM 0 HE2 LYS A 17 0.711 -15.008 9.423 1.00 62.21 H new ATOM 0 HE3 LYS A 17 0.990 -14.779 11.138 1.00 62.21 H new ATOM 0 HZ1 LYS A 17 -0.898 -13.491 10.378 1.00 72.12 H new ATOM 0 HZ2 LYS A 17 0.337 -12.452 10.906 1.00 72.12 H new ATOM 0 HZ3 LYS A 17 0.067 -12.674 9.244 1.00 72.12 H new ATOM 272 N ALA A 18 7.170 -15.312 11.182 1.00 75.41 N ATOM 273 CA ALA A 18 7.810 -16.230 12.135 1.00 62.15 C ATOM 274 C ALA A 18 8.361 -15.486 13.365 1.00 61.34 C ATOM 275 O ALA A 18 8.597 -16.087 14.410 1.00 2.40 O ATOM 276 CB ALA A 18 8.924 -17.011 11.446 1.00 24.14 C ATOM 0 H ALA A 18 7.636 -15.259 10.276 1.00 75.41 H new ATOM 0 HA ALA A 18 7.048 -16.925 12.487 1.00 62.15 H new ATOM 0 HB1 ALA A 18 9.391 -17.688 12.162 1.00 24.14 H new ATOM 0 HB2 ALA A 18 8.507 -17.588 10.620 1.00 24.14 H new ATOM 0 HB3 ALA A 18 9.672 -16.317 11.063 1.00 24.14 H new ATOM 282 N ASP A 19 8.556 -14.175 13.227 1.00 72.14 N ATOM 283 CA ASP A 19 9.059 -13.333 14.320 1.00 3.45 C ATOM 284 C ASP A 19 8.030 -13.260 15.467 1.00 15.11 C ATOM 285 O ASP A 19 8.382 -13.336 16.648 1.00 31.24 O ATOM 286 CB ASP A 19 9.358 -11.931 13.761 1.00 2.51 C ATOM 287 CG ASP A 19 10.182 -11.047 14.680 1.00 63.13 C ATOM 288 OD1 ASP A 19 10.668 -11.531 15.722 1.00 11.02 O ATOM 289 OD2 ASP A 19 10.372 -9.860 14.337 1.00 62.34 O ATOM 0 H ASP A 19 8.372 -13.666 12.362 1.00 72.14 H new ATOM 0 HA ASP A 19 9.973 -13.765 14.728 1.00 3.45 H new ATOM 0 HB2 ASP A 19 9.884 -12.037 12.812 1.00 2.51 H new ATOM 0 HB3 ASP A 19 8.414 -11.430 13.547 1.00 2.51 H new ATOM 294 N ALA A 20 6.755 -13.131 15.099 1.00 71.34 N ATOM 295 CA ALA A 20 5.658 -13.099 16.073 1.00 0.05 C ATOM 296 C ALA A 20 5.448 -14.472 16.726 1.00 13.44 C ATOM 297 O ALA A 20 5.338 -14.583 17.948 1.00 62.33 O ATOM 298 CB ALA A 20 4.372 -12.631 15.403 1.00 42.43 C ATOM 0 H ALA A 20 6.453 -13.046 14.128 1.00 71.34 H new ATOM 0 HA ALA A 20 5.928 -12.393 16.858 1.00 0.05 H new ATOM 0 HB1 ALA A 20 3.566 -12.612 16.136 1.00 42.43 H new ATOM 0 HB2 ALA A 20 4.517 -11.630 14.997 1.00 42.43 H new ATOM 0 HB3 ALA A 20 4.112 -13.316 14.596 1.00 42.43 H new ATOM 304 N LEU A 21 5.396 -15.520 15.900 1.00 35.12 N ATOM 305 CA LEU A 21 5.230 -16.892 16.396 1.00 23.02 C ATOM 306 C LEU A 21 6.406 -17.310 17.286 1.00 34.41 C ATOM 307 O LEU A 21 6.229 -18.033 18.268 1.00 62.10 O ATOM 308 CB LEU A 21 5.076 -17.869 15.225 1.00 12.45 C ATOM 309 CG LEU A 21 3.824 -17.653 14.362 1.00 34.02 C ATOM 310 CD1 LEU A 21 3.759 -18.681 13.239 1.00 52.21 C ATOM 311 CD2 LEU A 21 2.561 -17.704 15.224 1.00 15.11 C ATOM 0 H LEU A 21 5.466 -15.447 14.885 1.00 35.12 H new ATOM 0 HA LEU A 21 4.324 -16.920 17.001 1.00 23.02 H new ATOM 0 HB2 LEU A 21 5.957 -17.791 14.587 1.00 12.45 H new ATOM 0 HB3 LEU A 21 5.057 -18.885 15.619 1.00 12.45 H new ATOM 0 HG LEU A 21 3.886 -16.663 13.909 1.00 34.02 H new ATOM 0 HD11 LEU A 21 2.864 -18.510 12.640 1.00 52.21 H new ATOM 0 HD12 LEU A 21 4.642 -18.586 12.607 1.00 52.21 H new ATOM 0 HD13 LEU A 21 3.724 -19.684 13.665 1.00 52.21 H new ATOM 0 HD21 LEU A 21 1.685 -17.549 14.595 1.00 15.11 H new ATOM 0 HD22 LEU A 21 2.491 -18.677 15.710 1.00 15.11 H new ATOM 0 HD23 LEU A 21 2.606 -16.922 15.982 1.00 15.11 H new ATOM 323 N ALA A 22 7.607 -16.853 16.934 1.00 20.42 N ATOM 324 CA ALA A 22 8.788 -17.071 17.769 1.00 1.04 C ATOM 325 C ALA A 22 8.571 -16.481 19.167 1.00 52.31 C ATOM 326 O ALA A 22 8.741 -17.166 20.173 1.00 53.45 O ATOM 327 CB ALA A 22 10.023 -16.461 17.118 1.00 45.05 C ATOM 0 H ALA A 22 7.788 -16.330 16.077 1.00 20.42 H new ATOM 0 HA ALA A 22 8.947 -18.145 17.868 1.00 1.04 H new ATOM 0 HB1 ALA A 22 10.892 -16.633 17.753 1.00 45.05 H new ATOM 0 HB2 ALA A 22 10.188 -16.924 16.145 1.00 45.05 H new ATOM 0 HB3 ALA A 22 9.874 -15.389 16.989 1.00 45.05 H new ATOM 333 N PHE A 23 8.171 -15.209 19.209 1.00 32.12 N ATOM 334 CA PHE A 23 7.832 -14.529 20.466 1.00 61.33 C ATOM 335 C PHE A 23 6.844 -15.359 21.305 1.00 43.32 C ATOM 336 O PHE A 23 7.045 -15.560 22.506 1.00 33.34 O ATOM 337 CB PHE A 23 7.234 -13.146 20.157 1.00 23.15 C ATOM 338 CG PHE A 23 6.757 -12.386 21.371 1.00 54.44 C ATOM 339 CD1 PHE A 23 7.660 -11.731 22.197 1.00 44.02 C ATOM 340 CD2 PHE A 23 5.405 -12.319 21.678 1.00 45.21 C ATOM 341 CE1 PHE A 23 7.223 -11.026 23.302 1.00 11.25 C ATOM 342 CE2 PHE A 23 4.964 -11.617 22.783 1.00 31.31 C ATOM 343 CZ PHE A 23 5.873 -10.970 23.596 1.00 51.35 C ATOM 0 H PHE A 23 8.072 -14.622 18.380 1.00 32.12 H new ATOM 0 HA PHE A 23 8.745 -14.411 21.050 1.00 61.33 H new ATOM 0 HB2 PHE A 23 7.984 -12.547 19.640 1.00 23.15 H new ATOM 0 HB3 PHE A 23 6.397 -13.271 19.470 1.00 23.15 H new ATOM 0 HD1 PHE A 23 8.716 -11.773 21.973 1.00 44.02 H new ATOM 0 HD2 PHE A 23 4.689 -12.822 21.045 1.00 45.21 H new ATOM 0 HE1 PHE A 23 7.935 -10.519 23.936 1.00 11.25 H new ATOM 0 HE2 PHE A 23 3.909 -11.574 23.011 1.00 31.31 H new ATOM 0 HZ PHE A 23 5.530 -10.421 24.460 1.00 51.35 H new ATOM 353 N MET A 24 5.782 -15.843 20.660 1.00 44.50 N ATOM 354 CA MET A 24 4.783 -16.688 21.326 1.00 23.41 C ATOM 355 C MET A 24 5.426 -17.951 21.919 1.00 25.53 C ATOM 356 O MET A 24 5.243 -18.266 23.095 1.00 41.34 O ATOM 357 CB MET A 24 3.680 -17.094 20.339 1.00 5.24 C ATOM 358 CG MET A 24 2.947 -15.922 19.708 1.00 51.44 C ATOM 359 SD MET A 24 1.683 -16.458 18.538 1.00 2.24 S ATOM 360 CE MET A 24 1.088 -14.885 17.927 1.00 34.40 C ATOM 0 H MET A 24 5.589 -15.665 19.674 1.00 44.50 H new ATOM 0 HA MET A 24 4.349 -16.104 22.138 1.00 23.41 H new ATOM 0 HB2 MET A 24 4.121 -17.701 19.548 1.00 5.24 H new ATOM 0 HB3 MET A 24 2.957 -17.723 20.858 1.00 5.24 H new ATOM 0 HG2 MET A 24 2.484 -15.322 20.491 1.00 51.44 H new ATOM 0 HG3 MET A 24 3.664 -15.280 19.196 1.00 51.44 H new ATOM 0 HE1 MET A 24 0.338 -15.055 17.154 1.00 34.40 H new ATOM 0 HE2 MET A 24 0.643 -14.321 18.747 1.00 34.40 H new ATOM 0 HE3 MET A 24 1.920 -14.319 17.507 1.00 34.40 H new ATOM 370 N LYS A 25 6.186 -18.665 21.094 1.00 40.45 N ATOM 371 CA LYS A 25 6.816 -19.924 21.505 1.00 11.13 C ATOM 372 C LYS A 25 7.862 -19.705 22.616 1.00 24.33 C ATOM 373 O LYS A 25 8.011 -20.537 23.514 1.00 20.31 O ATOM 374 CB LYS A 25 7.463 -20.604 20.289 1.00 61.01 C ATOM 375 CG LYS A 25 7.988 -22.009 20.572 1.00 4.32 C ATOM 376 CD LYS A 25 8.619 -22.642 19.334 1.00 3.32 C ATOM 377 CE LYS A 25 9.131 -24.050 19.616 1.00 15.13 C ATOM 378 NZ LYS A 25 9.853 -24.624 18.450 1.00 20.22 N ATOM 0 H LYS A 25 6.384 -18.394 20.131 1.00 40.45 H new ATOM 0 HA LYS A 25 6.039 -20.571 21.912 1.00 11.13 H new ATOM 0 HB2 LYS A 25 6.732 -20.656 19.482 1.00 61.01 H new ATOM 0 HB3 LYS A 25 8.286 -19.984 19.934 1.00 61.01 H new ATOM 0 HG2 LYS A 25 8.725 -21.966 21.374 1.00 4.32 H new ATOM 0 HG3 LYS A 25 7.170 -22.638 20.924 1.00 4.32 H new ATOM 0 HD2 LYS A 25 7.885 -22.677 18.529 1.00 3.32 H new ATOM 0 HD3 LYS A 25 9.443 -22.018 18.987 1.00 3.32 H new ATOM 0 HE2 LYS A 25 9.796 -24.028 20.479 1.00 15.13 H new ATOM 0 HE3 LYS A 25 8.292 -24.695 19.877 1.00 15.13 H new ATOM 0 HZ1 LYS A 25 10.184 -25.582 18.684 1.00 20.22 H new ATOM 0 HZ2 LYS A 25 9.212 -24.670 17.633 1.00 20.22 H new ATOM 0 HZ3 LYS A 25 10.669 -24.023 18.217 1.00 20.22 H new ATOM 392 N VAL A 26 8.575 -18.583 22.557 1.00 71.33 N ATOM 393 CA VAL A 26 9.584 -18.250 23.568 1.00 5.51 C ATOM 394 C VAL A 26 8.946 -17.991 24.941 1.00 31.25 C ATOM 395 O VAL A 26 9.337 -18.602 25.939 1.00 40.43 O ATOM 396 CB VAL A 26 10.424 -17.018 23.146 1.00 50.13 C ATOM 397 CG1 VAL A 26 11.359 -16.579 24.271 1.00 34.15 C ATOM 398 CG2 VAL A 26 11.220 -17.323 21.877 1.00 72.53 C ATOM 0 H VAL A 26 8.475 -17.886 21.819 1.00 71.33 H new ATOM 0 HA VAL A 26 10.243 -19.115 23.648 1.00 5.51 H new ATOM 0 HB VAL A 26 9.738 -16.197 22.938 1.00 50.13 H new ATOM 0 HG11 VAL A 26 11.936 -15.713 23.947 1.00 34.15 H new ATOM 0 HG12 VAL A 26 10.771 -16.315 25.150 1.00 34.15 H new ATOM 0 HG13 VAL A 26 12.038 -17.395 24.519 1.00 34.15 H new ATOM 0 HG21 VAL A 26 11.804 -16.447 21.595 1.00 72.53 H new ATOM 0 HG22 VAL A 26 11.890 -18.163 22.061 1.00 72.53 H new ATOM 0 HG23 VAL A 26 10.534 -17.577 21.069 1.00 72.53 H new ATOM 408 N MET A 27 7.962 -17.092 24.997 1.00 11.31 N ATOM 409 CA MET A 27 7.277 -16.801 26.263 1.00 73.22 C ATOM 410 C MET A 27 6.489 -18.025 26.761 1.00 54.33 C ATOM 411 O MET A 27 6.297 -18.202 27.962 1.00 12.31 O ATOM 412 CB MET A 27 6.356 -15.577 26.134 1.00 42.52 C ATOM 413 CG MET A 27 5.159 -15.762 25.211 1.00 23.12 C ATOM 414 SD MET A 27 4.146 -14.270 25.106 1.00 53.34 S ATOM 415 CE MET A 27 2.813 -14.810 24.036 1.00 40.20 C ATOM 0 H MET A 27 7.624 -16.559 24.196 1.00 11.31 H new ATOM 0 HA MET A 27 8.043 -16.566 27.002 1.00 73.22 H new ATOM 0 HB2 MET A 27 5.992 -15.310 27.126 1.00 42.52 H new ATOM 0 HB3 MET A 27 6.946 -14.734 25.773 1.00 42.52 H new ATOM 0 HG2 MET A 27 5.508 -16.033 24.215 1.00 23.12 H new ATOM 0 HG3 MET A 27 4.548 -16.590 25.571 1.00 23.12 H new ATOM 0 HE1 MET A 27 2.919 -14.341 23.058 1.00 40.20 H new ATOM 0 HE2 MET A 27 2.852 -15.894 23.925 1.00 40.20 H new ATOM 0 HE3 MET A 27 1.857 -14.524 24.474 1.00 40.20 H new ATOM 425 N LEU A 28 6.051 -18.866 25.826 1.00 32.25 N ATOM 426 CA LEU A 28 5.394 -20.139 26.150 1.00 73.41 C ATOM 427 C LEU A 28 6.309 -21.034 27.005 1.00 62.14 C ATOM 428 O LEU A 28 5.928 -21.484 28.086 1.00 14.15 O ATOM 429 CB LEU A 28 5.016 -20.859 24.846 1.00 34.23 C ATOM 430 CG LEU A 28 4.352 -22.234 25.003 1.00 73.42 C ATOM 431 CD1 LEU A 28 3.042 -22.124 25.781 1.00 72.20 C ATOM 432 CD2 LEU A 28 4.119 -22.875 23.636 1.00 44.51 C ATOM 0 H LEU A 28 6.139 -18.689 24.825 1.00 32.25 H new ATOM 0 HA LEU A 28 4.495 -19.932 26.730 1.00 73.41 H new ATOM 0 HB2 LEU A 28 4.342 -20.215 24.281 1.00 34.23 H new ATOM 0 HB3 LEU A 28 5.918 -20.980 24.247 1.00 34.23 H new ATOM 0 HG LEU A 28 5.026 -22.874 25.572 1.00 73.42 H new ATOM 0 HD11 LEU A 28 2.592 -23.112 25.878 1.00 72.20 H new ATOM 0 HD12 LEU A 28 3.241 -21.717 26.772 1.00 72.20 H new ATOM 0 HD13 LEU A 28 2.357 -21.464 25.249 1.00 72.20 H new ATOM 0 HD21 LEU A 28 3.648 -23.849 23.766 1.00 44.51 H new ATOM 0 HD22 LEU A 28 3.469 -22.234 23.040 1.00 44.51 H new ATOM 0 HD23 LEU A 28 5.074 -23.000 23.125 1.00 44.51 H new ATOM 444 N ASN A 29 7.529 -21.263 26.517 1.00 31.12 N ATOM 445 CA ASN A 29 8.509 -22.106 27.218 1.00 21.41 C ATOM 446 C ASN A 29 9.019 -21.465 28.521 1.00 63.13 C ATOM 447 O ASN A 29 9.721 -22.111 29.302 1.00 23.11 O ATOM 448 CB ASN A 29 9.690 -22.428 26.292 1.00 34.41 C ATOM 449 CG ASN A 29 9.359 -23.527 25.297 1.00 11.12 C ATOM 450 OD1 ASN A 29 9.619 -24.699 25.545 1.00 71.24 O ATOM 451 ND2 ASN A 29 8.778 -23.169 24.171 1.00 10.31 N ATOM 0 H ASN A 29 7.867 -20.876 25.636 1.00 31.12 H new ATOM 0 HA ASN A 29 7.996 -23.027 27.494 1.00 21.41 H new ATOM 0 HB2 ASN A 29 9.981 -21.527 25.752 1.00 34.41 H new ATOM 0 HB3 ASN A 29 10.548 -22.731 26.893 1.00 34.41 H new ATOM 0 HD21 ASN A 29 8.532 -23.875 23.477 1.00 10.31 H new ATOM 0 HD22 ASN A 29 8.574 -22.186 23.993 1.00 10.31 H new ATOM 458 N ARG A 30 8.684 -20.197 28.747 1.00 50.23 N ATOM 459 CA ARG A 30 9.028 -19.528 30.008 1.00 23.35 C ATOM 460 C ARG A 30 8.215 -20.136 31.163 1.00 30.32 C ATOM 461 O ARG A 30 8.707 -20.278 32.283 1.00 22.24 O ATOM 462 CB ARG A 30 8.774 -18.010 29.889 1.00 22.13 C ATOM 463 CG ARG A 30 9.358 -17.159 31.027 1.00 14.20 C ATOM 464 CD ARG A 30 8.496 -17.170 32.293 1.00 40.23 C ATOM 465 NE ARG A 30 9.108 -16.401 33.374 1.00 12.22 N ATOM 466 CZ ARG A 30 8.609 -16.276 34.577 1.00 3.21 C ATOM 467 NH1 ARG A 30 7.486 -16.839 34.900 1.00 13.25 N ATOM 468 NH2 ARG A 30 9.240 -15.585 35.464 1.00 73.21 N ATOM 0 H ARG A 30 8.178 -19.612 28.082 1.00 50.23 H new ATOM 0 HA ARG A 30 10.087 -19.679 30.219 1.00 23.35 H new ATOM 0 HB2 ARG A 30 9.191 -17.661 28.944 1.00 22.13 H new ATOM 0 HB3 ARG A 30 7.698 -17.840 29.845 1.00 22.13 H new ATOM 0 HG2 ARG A 30 10.355 -17.526 31.271 1.00 14.20 H new ATOM 0 HG3 ARG A 30 9.472 -16.131 30.682 1.00 14.20 H new ATOM 0 HD2 ARG A 30 7.512 -16.759 32.066 1.00 40.23 H new ATOM 0 HD3 ARG A 30 8.344 -18.199 32.620 1.00 40.23 H new ATOM 0 HE ARG A 30 9.989 -15.927 33.176 1.00 12.22 H new ATOM 0 HH11 ARG A 30 6.975 -17.391 34.211 1.00 13.25 H new ATOM 0 HH12 ARG A 30 7.113 -16.730 35.843 1.00 13.25 H new ATOM 0 HH21 ARG A 30 10.126 -15.138 35.227 1.00 73.21 H new ATOM 0 HH22 ARG A 30 8.854 -15.486 36.403 1.00 73.21 H new ATOM 482 N TYR A 31 6.969 -20.496 30.870 1.00 5.11 N ATOM 483 CA TYR A 31 6.082 -21.123 31.856 1.00 20.43 C ATOM 484 C TYR A 31 6.155 -22.655 31.755 1.00 62.11 C ATOM 485 O TYR A 31 6.680 -23.200 30.784 1.00 52.03 O ATOM 486 CB TYR A 31 4.633 -20.668 31.627 1.00 70.35 C ATOM 487 CG TYR A 31 4.445 -19.160 31.607 1.00 21.13 C ATOM 488 CD1 TYR A 31 4.620 -18.436 30.431 1.00 22.13 C ATOM 489 CD2 TYR A 31 4.088 -18.463 32.757 1.00 50.34 C ATOM 490 CE1 TYR A 31 4.449 -17.066 30.403 1.00 0.11 C ATOM 491 CE2 TYR A 31 3.914 -17.091 32.733 1.00 63.21 C ATOM 492 CZ TYR A 31 4.096 -16.399 31.555 1.00 10.13 C ATOM 493 OH TYR A 31 3.931 -15.033 31.532 1.00 5.24 O ATOM 0 H TYR A 31 6.544 -20.365 29.952 1.00 5.11 H new ATOM 0 HA TYR A 31 6.408 -20.817 32.850 1.00 20.43 H new ATOM 0 HB2 TYR A 31 4.281 -21.078 30.680 1.00 70.35 H new ATOM 0 HB3 TYR A 31 4.004 -21.090 32.411 1.00 70.35 H new ATOM 0 HD1 TYR A 31 4.894 -18.955 29.524 1.00 22.13 H new ATOM 0 HD2 TYR A 31 3.945 -19.001 33.682 1.00 50.34 H new ATOM 0 HE1 TYR A 31 4.591 -16.520 29.482 1.00 0.11 H new ATOM 0 HE2 TYR A 31 3.637 -16.564 33.634 1.00 63.21 H new ATOM 0 HH TYR A 31 3.628 -14.755 30.643 1.00 5.24 H new ATOM 503 N ARG A 32 5.625 -23.347 32.759 1.00 50.31 N ATOM 504 CA ARG A 32 5.537 -24.810 32.726 1.00 1.33 C ATOM 505 C ARG A 32 4.095 -25.235 32.401 1.00 60.42 C ATOM 506 O ARG A 32 3.162 -24.449 32.580 1.00 71.15 O ATOM 507 CB ARG A 32 5.995 -25.418 34.069 1.00 3.13 C ATOM 508 CG ARG A 32 7.459 -25.136 34.422 1.00 22.23 C ATOM 509 CD ARG A 32 7.678 -23.698 34.888 1.00 63.24 C ATOM 510 NE ARG A 32 9.098 -23.371 35.027 1.00 64.03 N ATOM 511 CZ ARG A 32 9.566 -22.406 35.773 1.00 35.23 C ATOM 512 NH1 ARG A 32 8.778 -21.710 36.529 1.00 45.14 N ATOM 513 NH2 ARG A 32 10.834 -22.152 35.767 1.00 60.54 N ATOM 0 H ARG A 32 5.249 -22.922 33.607 1.00 50.31 H new ATOM 0 HA ARG A 32 6.201 -25.185 31.947 1.00 1.33 H new ATOM 0 HB2 ARG A 32 5.360 -25.030 34.865 1.00 3.13 H new ATOM 0 HB3 ARG A 32 5.842 -26.497 34.037 1.00 3.13 H new ATOM 0 HG2 ARG A 32 7.780 -25.822 35.206 1.00 22.23 H new ATOM 0 HG3 ARG A 32 8.084 -25.332 33.551 1.00 22.23 H new ATOM 0 HD2 ARG A 32 7.217 -23.013 34.176 1.00 63.24 H new ATOM 0 HD3 ARG A 32 7.177 -23.548 35.844 1.00 63.24 H new ATOM 0 HE ARG A 32 9.768 -23.936 34.505 1.00 64.03 H new ATOM 0 HH11 ARG A 32 7.778 -21.912 36.547 1.00 45.14 H new ATOM 0 HH12 ARG A 32 9.157 -20.959 37.106 1.00 45.14 H new ATOM 0 HH21 ARG A 32 11.462 -22.704 35.182 1.00 60.54 H new ATOM 0 HH22 ARG A 32 11.206 -21.400 36.347 1.00 60.54 H new ATOM 527 N PRO A 33 3.879 -26.477 31.913 1.00 52.11 N ATOM 528 CA PRO A 33 2.533 -26.969 31.521 1.00 1.44 C ATOM 529 C PRO A 33 1.502 -27.053 32.679 1.00 2.21 C ATOM 530 O PRO A 33 0.527 -27.810 32.597 1.00 63.12 O ATOM 531 CB PRO A 33 2.821 -28.369 30.950 1.00 72.22 C ATOM 532 CG PRO A 33 4.275 -28.361 30.619 1.00 25.43 C ATOM 533 CD PRO A 33 4.916 -27.494 31.664 1.00 44.55 C ATOM 0 HA PRO A 33 2.063 -26.277 30.822 1.00 1.44 H new ATOM 0 HB2 PRO A 33 2.586 -29.147 31.676 1.00 72.22 H new ATOM 0 HB3 PRO A 33 2.216 -28.566 30.065 1.00 72.22 H new ATOM 0 HG2 PRO A 33 4.688 -29.370 30.638 1.00 25.43 H new ATOM 0 HG3 PRO A 33 4.448 -27.964 29.619 1.00 25.43 H new ATOM 0 HD2 PRO A 33 5.158 -28.057 32.566 1.00 44.55 H new ATOM 0 HD3 PRO A 33 5.845 -27.048 31.308 1.00 44.55 H new ATOM 541 N GLY A 34 1.709 -26.278 33.745 1.00 3.35 N ATOM 542 CA GLY A 34 0.722 -26.170 34.817 1.00 34.02 C ATOM 543 C GLY A 34 0.561 -24.737 35.329 1.00 62.24 C ATOM 544 O GLY A 34 -0.074 -24.507 36.361 1.00 1.11 O ATOM 0 H GLY A 34 2.549 -25.718 33.888 1.00 3.35 H new ATOM 0 HA2 GLY A 34 -0.241 -26.533 34.457 1.00 34.02 H new ATOM 0 HA3 GLY A 34 1.017 -26.816 35.644 1.00 34.02 H new ATOM 548 N ASP A 35 1.134 -23.770 34.605 1.00 11.15 N ATOM 549 CA ASP A 35 1.088 -22.358 35.015 1.00 75.43 C ATOM 550 C ASP A 35 0.111 -21.531 34.164 1.00 23.04 C ATOM 551 O ASP A 35 -0.267 -21.918 33.053 1.00 31.20 O ATOM 552 CB ASP A 35 2.482 -21.723 34.931 1.00 41.25 C ATOM 553 CG ASP A 35 3.463 -22.327 35.917 1.00 54.01 C ATOM 554 OD1 ASP A 35 3.244 -22.194 37.137 1.00 60.33 O ATOM 555 OD2 ASP A 35 4.464 -22.930 35.480 1.00 73.23 O ATOM 0 H ASP A 35 1.635 -23.937 33.732 1.00 11.15 H new ATOM 0 HA ASP A 35 0.734 -22.349 36.046 1.00 75.43 H new ATOM 0 HB2 ASP A 35 2.870 -21.843 33.920 1.00 41.25 H new ATOM 0 HB3 ASP A 35 2.400 -20.652 35.117 1.00 41.25 H new ATOM 560 N ILE A 36 -0.277 -20.375 34.698 1.00 72.12 N ATOM 561 CA ILE A 36 -1.136 -19.429 33.984 1.00 43.25 C ATOM 562 C ILE A 36 -0.295 -18.319 33.331 1.00 25.30 C ATOM 563 O ILE A 36 0.690 -17.849 33.906 1.00 63.42 O ATOM 564 CB ILE A 36 -2.181 -18.794 34.942 1.00 4.41 C ATOM 565 CG1 ILE A 36 -3.030 -19.887 35.616 1.00 43.10 C ATOM 566 CG2 ILE A 36 -3.075 -17.798 34.199 1.00 41.35 C ATOM 567 CD1 ILE A 36 -3.798 -20.759 34.645 1.00 55.51 C ATOM 0 H ILE A 36 -0.007 -20.067 35.632 1.00 72.12 H new ATOM 0 HA ILE A 36 -1.663 -19.982 33.207 1.00 43.25 H new ATOM 0 HB ILE A 36 -1.642 -18.248 35.716 1.00 4.41 H new ATOM 0 HG12 ILE A 36 -2.378 -20.519 36.218 1.00 43.10 H new ATOM 0 HG13 ILE A 36 -3.735 -19.414 36.300 1.00 43.10 H new ATOM 0 HG21 ILE A 36 -3.797 -17.369 34.894 1.00 41.35 H new ATOM 0 HG22 ILE A 36 -2.461 -17.003 33.776 1.00 41.35 H new ATOM 0 HG23 ILE A 36 -3.605 -18.312 33.397 1.00 41.35 H new ATOM 0 HD11 ILE A 36 -4.370 -21.503 35.199 1.00 55.51 H new ATOM 0 HD12 ILE A 36 -4.478 -20.140 34.060 1.00 55.51 H new ATOM 0 HD13 ILE A 36 -3.099 -21.262 33.977 1.00 55.51 H new ATOM 579 N VAL A 37 -0.683 -17.911 32.128 1.00 22.11 N ATOM 580 CA VAL A 37 0.027 -16.859 31.394 1.00 51.21 C ATOM 581 C VAL A 37 -0.209 -15.476 32.031 1.00 12.30 C ATOM 582 O VAL A 37 -1.317 -15.169 32.472 1.00 71.04 O ATOM 583 CB VAL A 37 -0.419 -16.831 29.909 1.00 23.32 C ATOM 584 CG1 VAL A 37 0.343 -15.773 29.118 1.00 31.53 C ATOM 585 CG2 VAL A 37 -0.246 -18.209 29.273 1.00 32.11 C ATOM 0 H VAL A 37 -1.490 -18.293 31.634 1.00 22.11 H new ATOM 0 HA VAL A 37 1.092 -17.087 31.444 1.00 51.21 H new ATOM 0 HB VAL A 37 -1.476 -16.565 29.883 1.00 23.32 H new ATOM 0 HG11 VAL A 37 0.006 -15.781 28.082 1.00 31.53 H new ATOM 0 HG12 VAL A 37 0.158 -14.791 29.553 1.00 31.53 H new ATOM 0 HG13 VAL A 37 1.410 -15.991 29.154 1.00 31.53 H new ATOM 0 HG21 VAL A 37 -0.564 -18.171 28.231 1.00 32.11 H new ATOM 0 HG22 VAL A 37 0.802 -18.503 29.322 1.00 32.11 H new ATOM 0 HG23 VAL A 37 -0.853 -18.937 29.811 1.00 32.11 H new ATOM 595 N SER A 38 0.842 -14.652 32.081 1.00 44.35 N ATOM 596 CA SER A 38 0.756 -13.304 32.674 1.00 33.14 C ATOM 597 C SER A 38 -0.234 -12.400 31.920 1.00 64.41 C ATOM 598 O SER A 38 -0.645 -12.703 30.800 1.00 45.01 O ATOM 599 CB SER A 38 2.137 -12.632 32.696 1.00 43.44 C ATOM 600 OG SER A 38 2.076 -11.359 33.322 1.00 42.34 O ATOM 0 H SER A 38 1.765 -14.891 31.719 1.00 44.35 H new ATOM 0 HA SER A 38 0.392 -13.433 33.693 1.00 33.14 H new ATOM 0 HB2 SER A 38 2.846 -13.268 33.226 1.00 43.44 H new ATOM 0 HB3 SER A 38 2.508 -12.522 31.677 1.00 43.44 H new ATOM 0 HG SER A 38 2.968 -10.953 33.325 1.00 42.34 H new ATOM 606 N THR A 39 -0.593 -11.275 32.540 1.00 62.41 N ATOM 607 CA THR A 39 -1.586 -10.346 31.978 1.00 11.33 C ATOM 608 C THR A 39 -1.161 -9.800 30.606 1.00 74.31 C ATOM 609 O THR A 39 -1.915 -9.881 29.638 1.00 13.34 O ATOM 610 CB THR A 39 -1.841 -9.150 32.930 1.00 51.43 C ATOM 611 OG1 THR A 39 -2.168 -9.624 34.246 1.00 53.14 O ATOM 612 CG2 THR A 39 -2.974 -8.261 32.420 1.00 75.21 C ATOM 0 H THR A 39 -0.210 -10.980 33.438 1.00 62.41 H new ATOM 0 HA THR A 39 -2.503 -10.923 31.858 1.00 11.33 H new ATOM 0 HB THR A 39 -0.926 -8.559 32.966 1.00 51.43 H new ATOM 0 HG1 THR A 39 -2.325 -8.860 34.839 1.00 53.14 H new ATOM 0 HG21 THR A 39 -3.126 -7.432 33.112 1.00 75.21 H new ATOM 0 HG22 THR A 39 -2.715 -7.870 31.436 1.00 75.21 H new ATOM 0 HG23 THR A 39 -3.891 -8.846 32.348 1.00 75.21 H new ATOM 620 N VAL A 40 0.049 -9.244 30.527 1.00 41.45 N ATOM 621 CA VAL A 40 0.561 -8.669 29.271 1.00 74.42 C ATOM 622 C VAL A 40 0.677 -9.735 28.165 1.00 22.40 C ATOM 623 O VAL A 40 0.154 -9.568 27.059 1.00 54.11 O ATOM 624 CB VAL A 40 1.944 -8.001 29.483 1.00 64.35 C ATOM 625 CG1 VAL A 40 2.438 -7.336 28.196 1.00 11.12 C ATOM 626 CG2 VAL A 40 1.885 -6.995 30.631 1.00 42.43 C ATOM 0 H VAL A 40 0.695 -9.177 31.313 1.00 41.45 H new ATOM 0 HA VAL A 40 -0.158 -7.913 28.956 1.00 74.42 H new ATOM 0 HB VAL A 40 2.659 -8.780 29.749 1.00 64.35 H new ATOM 0 HG11 VAL A 40 3.410 -6.876 28.374 1.00 11.12 H new ATOM 0 HG12 VAL A 40 2.530 -8.087 27.411 1.00 11.12 H new ATOM 0 HG13 VAL A 40 1.726 -6.571 27.885 1.00 11.12 H new ATOM 0 HG21 VAL A 40 2.865 -6.537 30.764 1.00 42.43 H new ATOM 0 HG22 VAL A 40 1.152 -6.222 30.400 1.00 42.43 H new ATOM 0 HG23 VAL A 40 1.596 -7.507 31.549 1.00 42.43 H new ATOM 636 N ASP A 41 1.372 -10.826 28.479 1.00 63.13 N ATOM 637 CA ASP A 41 1.522 -11.960 27.562 1.00 41.40 C ATOM 638 C ASP A 41 0.150 -12.464 27.070 1.00 45.44 C ATOM 639 O ASP A 41 -0.049 -12.710 25.878 1.00 24.33 O ATOM 640 CB ASP A 41 2.270 -13.095 28.273 1.00 51.02 C ATOM 641 CG ASP A 41 3.631 -12.672 28.806 1.00 53.51 C ATOM 642 OD1 ASP A 41 3.694 -11.720 29.614 1.00 72.14 O ATOM 643 OD2 ASP A 41 4.641 -13.310 28.450 1.00 65.34 O ATOM 0 H ASP A 41 1.847 -10.952 29.373 1.00 63.13 H new ATOM 0 HA ASP A 41 2.091 -11.629 26.693 1.00 41.40 H new ATOM 0 HB2 ASP A 41 1.661 -13.462 29.099 1.00 51.02 H new ATOM 0 HB3 ASP A 41 2.400 -13.926 27.580 1.00 51.02 H new ATOM 648 N GLY A 42 -0.791 -12.608 28.004 1.00 14.41 N ATOM 649 CA GLY A 42 -2.144 -13.023 27.656 1.00 32.24 C ATOM 650 C GLY A 42 -2.864 -12.008 26.775 1.00 74.42 C ATOM 651 O GLY A 42 -3.542 -12.382 25.818 1.00 13.52 O ATOM 0 H GLY A 42 -0.640 -12.444 28.999 1.00 14.41 H new ATOM 0 HA2 GLY A 42 -2.104 -13.982 27.139 1.00 32.24 H new ATOM 0 HA3 GLY A 42 -2.718 -13.177 28.569 1.00 32.24 H new ATOM 655 N ALA A 43 -2.708 -10.722 27.091 1.00 63.24 N ATOM 656 CA ALA A 43 -3.303 -9.643 26.292 1.00 55.31 C ATOM 657 C ALA A 43 -2.828 -9.703 24.832 1.00 14.12 C ATOM 658 O ALA A 43 -3.600 -9.453 23.901 1.00 3.32 O ATOM 659 CB ALA A 43 -2.969 -8.286 26.904 1.00 51.33 C ATOM 0 H ALA A 43 -2.173 -10.398 27.897 1.00 63.24 H new ATOM 0 HA ALA A 43 -4.385 -9.777 26.298 1.00 55.31 H new ATOM 0 HB1 ALA A 43 -3.416 -7.495 26.302 1.00 51.33 H new ATOM 0 HB2 ALA A 43 -3.365 -8.237 27.919 1.00 51.33 H new ATOM 0 HB3 ALA A 43 -1.887 -8.155 26.930 1.00 51.33 H new ATOM 665 N PHE A 44 -1.551 -10.033 24.649 1.00 52.55 N ATOM 666 CA PHE A 44 -0.982 -10.250 23.315 1.00 62.15 C ATOM 667 C PHE A 44 -1.702 -11.404 22.596 1.00 54.53 C ATOM 668 O PHE A 44 -2.073 -11.291 21.427 1.00 50.40 O ATOM 669 CB PHE A 44 0.521 -10.553 23.434 1.00 62.32 C ATOM 670 CG PHE A 44 1.206 -10.819 22.114 1.00 21.42 C ATOM 671 CD1 PHE A 44 1.702 -9.772 21.352 1.00 21.24 C ATOM 672 CD2 PHE A 44 1.355 -12.116 21.639 1.00 52.04 C ATOM 673 CE1 PHE A 44 2.331 -10.010 20.146 1.00 60.31 C ATOM 674 CE2 PHE A 44 1.982 -12.358 20.432 1.00 25.12 C ATOM 675 CZ PHE A 44 2.471 -11.304 19.685 1.00 32.44 C ATOM 0 H PHE A 44 -0.885 -10.157 25.411 1.00 52.55 H new ATOM 0 HA PHE A 44 -1.120 -9.344 22.725 1.00 62.15 H new ATOM 0 HB2 PHE A 44 1.012 -9.711 23.922 1.00 62.32 H new ATOM 0 HB3 PHE A 44 0.655 -11.420 24.081 1.00 62.32 H new ATOM 0 HD1 PHE A 44 1.595 -8.757 21.706 1.00 21.24 H new ATOM 0 HD2 PHE A 44 0.977 -12.944 22.220 1.00 52.04 H new ATOM 0 HE1 PHE A 44 2.713 -9.185 19.564 1.00 60.31 H new ATOM 0 HE2 PHE A 44 2.090 -13.371 20.073 1.00 25.12 H new ATOM 0 HZ PHE A 44 2.962 -11.492 18.742 1.00 32.44 H new ATOM 685 N LEU A 45 -1.895 -12.510 23.313 1.00 22.35 N ATOM 686 CA LEU A 45 -2.587 -13.686 22.773 1.00 55.20 C ATOM 687 C LEU A 45 -4.038 -13.365 22.374 1.00 50.22 C ATOM 688 O LEU A 45 -4.515 -13.818 21.332 1.00 4.51 O ATOM 689 CB LEU A 45 -2.567 -14.819 23.805 1.00 33.10 C ATOM 690 CG LEU A 45 -1.173 -15.360 24.156 1.00 65.21 C ATOM 691 CD1 LEU A 45 -1.244 -16.305 25.351 1.00 25.41 C ATOM 692 CD2 LEU A 45 -0.550 -16.062 22.950 1.00 73.10 C ATOM 0 H LEU A 45 -1.580 -12.619 24.277 1.00 22.35 H new ATOM 0 HA LEU A 45 -2.059 -13.998 21.872 1.00 55.20 H new ATOM 0 HB2 LEU A 45 -3.042 -14.464 24.720 1.00 33.10 H new ATOM 0 HB3 LEU A 45 -3.174 -15.642 23.429 1.00 33.10 H new ATOM 0 HG LEU A 45 -0.539 -14.516 24.428 1.00 65.21 H new ATOM 0 HD11 LEU A 45 -0.245 -16.676 25.581 1.00 25.41 H new ATOM 0 HD12 LEU A 45 -1.641 -15.771 26.214 1.00 25.41 H new ATOM 0 HD13 LEU A 45 -1.897 -17.145 25.112 1.00 25.41 H new ATOM 0 HD21 LEU A 45 0.437 -16.438 23.218 1.00 73.10 H new ATOM 0 HD22 LEU A 45 -1.185 -16.894 22.645 1.00 73.10 H new ATOM 0 HD23 LEU A 45 -0.457 -15.355 22.125 1.00 73.10 H new ATOM 704 N VAL A 46 -4.736 -12.589 23.206 1.00 5.22 N ATOM 705 CA VAL A 46 -6.113 -12.176 22.907 1.00 21.21 C ATOM 706 C VAL A 46 -6.188 -11.429 21.565 1.00 72.43 C ATOM 707 O VAL A 46 -6.982 -11.777 20.689 1.00 13.33 O ATOM 708 CB VAL A 46 -6.700 -11.267 24.018 1.00 12.33 C ATOM 709 CG1 VAL A 46 -8.129 -10.850 23.677 1.00 62.02 C ATOM 710 CG2 VAL A 46 -6.651 -11.957 25.379 1.00 0.03 C ATOM 0 H VAL A 46 -4.373 -12.234 24.091 1.00 5.22 H new ATOM 0 HA VAL A 46 -6.704 -13.091 22.852 1.00 21.21 H new ATOM 0 HB VAL A 46 -6.084 -10.370 24.075 1.00 12.33 H new ATOM 0 HG11 VAL A 46 -8.521 -10.213 24.470 1.00 62.02 H new ATOM 0 HG12 VAL A 46 -8.133 -10.301 22.735 1.00 62.02 H new ATOM 0 HG13 VAL A 46 -8.754 -11.738 23.582 1.00 62.02 H new ATOM 0 HG21 VAL A 46 -7.069 -11.295 26.138 1.00 0.03 H new ATOM 0 HG22 VAL A 46 -7.232 -12.878 25.341 1.00 0.03 H new ATOM 0 HG23 VAL A 46 -5.617 -12.190 25.632 1.00 0.03 H new ATOM 720 N GLU A 47 -5.347 -10.406 21.407 1.00 1.03 N ATOM 721 CA GLU A 47 -5.317 -9.616 20.172 1.00 45.30 C ATOM 722 C GLU A 47 -4.841 -10.464 18.978 1.00 62.20 C ATOM 723 O GLU A 47 -5.302 -10.281 17.849 1.00 20.20 O ATOM 724 CB GLU A 47 -4.415 -8.384 20.346 1.00 74.12 C ATOM 725 CG GLU A 47 -4.821 -7.476 21.507 1.00 50.43 C ATOM 726 CD GLU A 47 -6.270 -7.013 21.426 1.00 52.43 C ATOM 727 OE1 GLU A 47 -6.594 -6.214 20.524 1.00 55.20 O ATOM 728 OE2 GLU A 47 -7.088 -7.438 22.275 1.00 4.13 O ATOM 0 H GLU A 47 -4.679 -10.104 22.116 1.00 1.03 H new ATOM 0 HA GLU A 47 -6.333 -9.282 19.963 1.00 45.30 H new ATOM 0 HB2 GLU A 47 -3.388 -8.717 20.500 1.00 74.12 H new ATOM 0 HB3 GLU A 47 -4.427 -7.804 19.423 1.00 74.12 H new ATOM 0 HG2 GLU A 47 -4.668 -8.007 22.446 1.00 50.43 H new ATOM 0 HG3 GLU A 47 -4.168 -6.604 21.524 1.00 50.43 H new ATOM 735 N ALA A 48 -3.919 -11.393 19.237 1.00 72.11 N ATOM 736 CA ALA A 48 -3.454 -12.336 18.212 1.00 31.14 C ATOM 737 C ALA A 48 -4.612 -13.208 17.705 1.00 23.22 C ATOM 738 O ALA A 48 -4.740 -13.466 16.505 1.00 54.13 O ATOM 739 CB ALA A 48 -2.331 -13.208 18.765 1.00 24.43 C ATOM 0 H ALA A 48 -3.478 -11.514 20.148 1.00 72.11 H new ATOM 0 HA ALA A 48 -3.068 -11.762 17.369 1.00 31.14 H new ATOM 0 HB1 ALA A 48 -1.996 -13.902 17.994 1.00 24.43 H new ATOM 0 HB2 ALA A 48 -1.497 -12.576 19.071 1.00 24.43 H new ATOM 0 HB3 ALA A 48 -2.696 -13.769 19.625 1.00 24.43 H new ATOM 745 N LEU A 49 -5.452 -13.657 18.633 1.00 43.42 N ATOM 746 CA LEU A 49 -6.662 -14.407 18.291 1.00 11.24 C ATOM 747 C LEU A 49 -7.628 -13.534 17.470 1.00 63.00 C ATOM 748 O LEU A 49 -8.190 -13.980 16.468 1.00 73.31 O ATOM 749 CB LEU A 49 -7.354 -14.899 19.570 1.00 61.42 C ATOM 750 CG LEU A 49 -8.675 -15.661 19.362 1.00 25.53 C ATOM 751 CD1 LEU A 49 -8.455 -16.934 18.550 1.00 34.10 C ATOM 752 CD2 LEU A 49 -9.327 -15.978 20.704 1.00 20.22 C ATOM 0 H LEU A 49 -5.318 -13.515 19.634 1.00 43.42 H new ATOM 0 HA LEU A 49 -6.376 -15.268 17.686 1.00 11.24 H new ATOM 0 HB2 LEU A 49 -6.663 -15.547 20.109 1.00 61.42 H new ATOM 0 HB3 LEU A 49 -7.549 -14.038 20.210 1.00 61.42 H new ATOM 0 HG LEU A 49 -9.350 -15.019 18.795 1.00 25.53 H new ATOM 0 HD11 LEU A 49 -9.406 -17.451 18.419 1.00 34.10 H new ATOM 0 HD12 LEU A 49 -8.045 -16.676 17.574 1.00 34.10 H new ATOM 0 HD13 LEU A 49 -7.757 -17.585 19.076 1.00 34.10 H new ATOM 0 HD21 LEU A 49 -10.260 -16.517 20.537 1.00 20.22 H new ATOM 0 HD22 LEU A 49 -8.653 -16.594 21.299 1.00 20.22 H new ATOM 0 HD23 LEU A 49 -9.535 -15.050 21.236 1.00 20.22 H new ATOM 764 N LYS A 50 -7.789 -12.277 17.897 1.00 3.21 N ATOM 765 CA LYS A 50 -8.671 -11.314 17.216 1.00 24.12 C ATOM 766 C LYS A 50 -8.240 -11.039 15.765 1.00 31.50 C ATOM 767 O LYS A 50 -8.982 -10.426 14.996 1.00 24.31 O ATOM 768 CB LYS A 50 -8.720 -9.995 18.000 1.00 54.34 C ATOM 769 CG LYS A 50 -9.389 -10.115 19.367 1.00 73.45 C ATOM 770 CD LYS A 50 -9.391 -8.784 20.116 1.00 24.01 C ATOM 771 CE LYS A 50 -10.134 -8.877 21.442 1.00 20.11 C ATOM 772 NZ LYS A 50 -10.064 -7.603 22.201 1.00 62.24 N ATOM 0 H LYS A 50 -7.317 -11.897 18.718 1.00 3.21 H new ATOM 0 HA LYS A 50 -9.663 -11.764 17.181 1.00 24.12 H new ATOM 0 HB2 LYS A 50 -7.704 -9.625 18.135 1.00 54.34 H new ATOM 0 HB3 LYS A 50 -9.254 -9.251 17.409 1.00 54.34 H new ATOM 0 HG2 LYS A 50 -10.414 -10.463 19.241 1.00 73.45 H new ATOM 0 HG3 LYS A 50 -8.869 -10.866 19.962 1.00 73.45 H new ATOM 0 HD2 LYS A 50 -8.364 -8.469 20.297 1.00 24.01 H new ATOM 0 HD3 LYS A 50 -9.854 -8.018 19.494 1.00 24.01 H new ATOM 0 HE2 LYS A 50 -11.177 -9.134 21.257 1.00 20.11 H new ATOM 0 HE3 LYS A 50 -9.709 -9.682 22.042 1.00 20.11 H new ATOM 0 HZ1 LYS A 50 -10.522 -7.725 23.127 1.00 62.24 H new ATOM 0 HZ2 LYS A 50 -9.069 -7.336 22.340 1.00 62.24 H new ATOM 0 HZ3 LYS A 50 -10.552 -6.855 21.669 1.00 62.24 H new ATOM 786 N ARG A 51 -7.039 -11.483 15.392 1.00 25.41 N ATOM 787 CA ARG A 51 -6.567 -11.351 14.009 1.00 44.32 C ATOM 788 C ARG A 51 -7.225 -12.407 13.098 1.00 1.31 C ATOM 789 O ARG A 51 -6.939 -12.479 11.900 1.00 53.00 O ATOM 790 CB ARG A 51 -5.035 -11.473 13.943 1.00 40.04 C ATOM 791 CG ARG A 51 -4.287 -10.517 14.874 1.00 34.42 C ATOM 792 CD ARG A 51 -4.761 -9.074 14.727 1.00 32.41 C ATOM 793 NE ARG A 51 -4.663 -8.594 13.350 1.00 44.05 N ATOM 794 CZ ARG A 51 -5.451 -7.691 12.827 1.00 61.31 C ATOM 795 NH1 ARG A 51 -6.404 -7.156 13.528 1.00 45.12 N ATOM 796 NH2 ARG A 51 -5.288 -7.333 11.600 1.00 2.23 N ATOM 0 H ARG A 51 -6.377 -11.935 16.023 1.00 25.41 H new ATOM 0 HA ARG A 51 -6.854 -10.362 13.651 1.00 44.32 H new ATOM 0 HB2 ARG A 51 -4.753 -12.497 14.189 1.00 40.04 H new ATOM 0 HB3 ARG A 51 -4.711 -11.291 12.918 1.00 40.04 H new ATOM 0 HG2 ARG A 51 -4.424 -10.838 15.907 1.00 34.42 H new ATOM 0 HG3 ARG A 51 -3.219 -10.569 14.663 1.00 34.42 H new ATOM 0 HD2 ARG A 51 -5.795 -8.998 15.063 1.00 32.41 H new ATOM 0 HD3 ARG A 51 -4.167 -8.431 15.376 1.00 32.41 H new ATOM 0 HE ARG A 51 -3.932 -8.989 12.758 1.00 44.05 H new ATOM 0 HH11 ARG A 51 -6.544 -7.439 14.498 1.00 45.12 H new ATOM 0 HH12 ARG A 51 -7.012 -6.453 13.109 1.00 45.12 H new ATOM 0 HH21 ARG A 51 -4.546 -7.754 11.040 1.00 2.23 H new ATOM 0 HH22 ARG A 51 -5.901 -6.629 11.188 1.00 2.23 H new ATOM 810 N HIS A 52 -8.091 -13.234 13.686 1.00 51.22 N ATOM 811 CA HIS A 52 -8.883 -14.218 12.939 1.00 24.24 C ATOM 812 C HIS A 52 -10.383 -13.889 13.045 1.00 21.10 C ATOM 813 O HIS A 52 -10.880 -13.627 14.137 1.00 62.31 O ATOM 814 CB HIS A 52 -8.640 -15.632 13.492 1.00 70.11 C ATOM 815 CG HIS A 52 -7.225 -16.104 13.381 1.00 20.12 C ATOM 816 ND1 HIS A 52 -6.786 -16.931 12.370 1.00 3.21 N ATOM 817 CD2 HIS A 52 -6.149 -15.887 14.176 1.00 31.34 C ATOM 818 CE1 HIS A 52 -5.512 -17.202 12.547 1.00 63.41 C ATOM 819 NE2 HIS A 52 -5.097 -16.584 13.634 1.00 73.12 N ATOM 0 H HIS A 52 -8.264 -13.242 14.691 1.00 51.22 H new ATOM 0 HA HIS A 52 -8.575 -14.179 11.894 1.00 24.24 H new ATOM 0 HB2 HIS A 52 -8.937 -15.655 14.541 1.00 70.11 H new ATOM 0 HB3 HIS A 52 -9.286 -16.332 12.963 1.00 70.11 H new ATOM 0 HD2 HIS A 52 -6.124 -15.280 15.069 1.00 31.34 H new ATOM 0 HE1 HIS A 52 -4.906 -17.827 11.908 1.00 63.41 H new ATOM 0 HE2 HIS A 52 -4.150 -16.618 14.011 1.00 73.12 H new ATOM 828 N PRO A 53 -11.134 -13.916 11.924 1.00 40.30 N ATOM 829 CA PRO A 53 -12.588 -13.640 11.941 1.00 63.10 C ATOM 830 C PRO A 53 -13.378 -14.660 12.783 1.00 21.20 C ATOM 831 O PRO A 53 -14.553 -14.454 13.097 1.00 44.45 O ATOM 832 CB PRO A 53 -12.989 -13.727 10.458 1.00 74.35 C ATOM 833 CG PRO A 53 -11.908 -14.528 9.810 1.00 34.52 C ATOM 834 CD PRO A 53 -10.646 -14.203 10.562 1.00 71.14 C ATOM 0 HA PRO A 53 -12.811 -12.676 12.398 1.00 63.10 H new ATOM 0 HB2 PRO A 53 -13.960 -14.207 10.340 1.00 74.35 H new ATOM 0 HB3 PRO A 53 -13.067 -12.736 10.012 1.00 74.35 H new ATOM 0 HG2 PRO A 53 -12.129 -15.594 9.860 1.00 34.52 H new ATOM 0 HG3 PRO A 53 -11.811 -14.272 8.755 1.00 34.52 H new ATOM 0 HD2 PRO A 53 -9.945 -15.037 10.552 1.00 71.14 H new ATOM 0 HD3 PRO A 53 -10.128 -13.346 10.130 1.00 71.14 H new ATOM 842 N ASP A 54 -12.721 -15.764 13.136 1.00 61.40 N ATOM 843 CA ASP A 54 -13.321 -16.811 13.968 1.00 12.01 C ATOM 844 C ASP A 54 -13.141 -16.523 15.471 1.00 43.41 C ATOM 845 O ASP A 54 -13.631 -17.274 16.319 1.00 22.12 O ATOM 846 CB ASP A 54 -12.678 -18.158 13.629 1.00 72.14 C ATOM 847 CG ASP A 54 -12.750 -18.472 12.147 1.00 72.32 C ATOM 848 OD1 ASP A 54 -11.842 -18.047 11.397 1.00 65.21 O ATOM 849 OD2 ASP A 54 -13.710 -19.148 11.724 1.00 15.15 O ATOM 0 H ASP A 54 -11.760 -15.959 12.855 1.00 61.40 H new ATOM 0 HA ASP A 54 -14.390 -16.835 13.757 1.00 12.01 H new ATOM 0 HB2 ASP A 54 -11.635 -18.151 13.947 1.00 72.14 H new ATOM 0 HB3 ASP A 54 -13.177 -18.948 14.190 1.00 72.14 H new ATOM 854 N ALA A 55 -12.439 -15.433 15.792 1.00 11.31 N ATOM 855 CA ALA A 55 -12.132 -15.078 17.185 1.00 34.54 C ATOM 856 C ALA A 55 -13.395 -14.988 18.052 1.00 70.11 C ATOM 857 O ALA A 55 -13.460 -15.582 19.127 1.00 24.33 O ATOM 858 CB ALA A 55 -11.369 -13.761 17.237 1.00 45.12 C ATOM 0 H ALA A 55 -12.070 -14.777 15.104 1.00 11.31 H new ATOM 0 HA ALA A 55 -11.511 -15.876 17.593 1.00 34.54 H new ATOM 0 HB1 ALA A 55 -11.148 -13.509 18.274 1.00 45.12 H new ATOM 0 HB2 ALA A 55 -10.437 -13.858 16.680 1.00 45.12 H new ATOM 0 HB3 ALA A 55 -11.976 -12.971 16.794 1.00 45.12 H new ATOM 864 N THR A 56 -14.395 -14.251 17.566 1.00 5.44 N ATOM 865 CA THR A 56 -15.677 -14.075 18.278 1.00 10.24 C ATOM 866 C THR A 56 -16.257 -15.406 18.789 1.00 44.21 C ATOM 867 O THR A 56 -16.878 -15.454 19.852 1.00 34.25 O ATOM 868 CB THR A 56 -16.729 -13.386 17.372 1.00 51.14 C ATOM 869 OG1 THR A 56 -18.008 -13.328 18.032 1.00 62.31 O ATOM 870 CG2 THR A 56 -16.869 -14.114 16.037 1.00 53.24 C ATOM 0 H THR A 56 -14.347 -13.759 16.674 1.00 5.44 H new ATOM 0 HA THR A 56 -15.457 -13.443 19.139 1.00 10.24 H new ATOM 0 HB THR A 56 -16.382 -12.371 17.178 1.00 51.14 H new ATOM 0 HG1 THR A 56 -18.659 -12.889 17.446 1.00 62.31 H new ATOM 0 HG21 THR A 56 -17.614 -13.608 15.423 1.00 53.24 H new ATOM 0 HG22 THR A 56 -15.910 -14.112 15.519 1.00 53.24 H new ATOM 0 HG23 THR A 56 -17.183 -15.142 16.215 1.00 53.24 H new ATOM 878 N SER A 57 -16.040 -16.484 18.034 1.00 53.01 N ATOM 879 CA SER A 57 -16.523 -17.819 18.422 1.00 72.41 C ATOM 880 C SER A 57 -15.797 -18.330 19.674 1.00 63.44 C ATOM 881 O SER A 57 -16.419 -18.856 20.598 1.00 51.42 O ATOM 882 CB SER A 57 -16.310 -18.822 17.277 1.00 4.40 C ATOM 883 OG SER A 57 -16.842 -18.343 16.054 1.00 21.35 O ATOM 0 H SER A 57 -15.533 -16.463 17.149 1.00 53.01 H new ATOM 0 HA SER A 57 -17.587 -17.730 18.640 1.00 72.41 H new ATOM 0 HB2 SER A 57 -15.244 -19.018 17.158 1.00 4.40 H new ATOM 0 HB3 SER A 57 -16.782 -19.771 17.532 1.00 4.40 H new ATOM 0 HG SER A 57 -16.687 -19.005 15.348 1.00 21.35 H new ATOM 889 N LYS A 58 -14.474 -18.163 19.696 1.00 50.34 N ATOM 890 CA LYS A 58 -13.641 -18.665 20.796 1.00 43.51 C ATOM 891 C LYS A 58 -13.637 -17.710 22.002 1.00 61.33 C ATOM 892 O LYS A 58 -13.433 -18.135 23.139 1.00 1.40 O ATOM 893 CB LYS A 58 -12.204 -18.907 20.301 1.00 54.00 C ATOM 894 CG LYS A 58 -12.095 -20.001 19.236 1.00 53.53 C ATOM 895 CD LYS A 58 -10.642 -20.322 18.889 1.00 65.03 C ATOM 896 CE LYS A 58 -10.534 -21.525 17.950 1.00 43.55 C ATOM 897 NZ LYS A 58 -11.049 -22.777 18.574 1.00 5.32 N ATOM 0 H LYS A 58 -13.952 -17.683 18.963 1.00 50.34 H new ATOM 0 HA LYS A 58 -14.073 -19.608 21.132 1.00 43.51 H new ATOM 0 HB2 LYS A 58 -11.808 -17.976 19.895 1.00 54.00 H new ATOM 0 HB3 LYS A 58 -11.577 -19.176 21.151 1.00 54.00 H new ATOM 0 HG2 LYS A 58 -12.590 -20.904 19.593 1.00 53.53 H new ATOM 0 HG3 LYS A 58 -12.621 -19.684 18.336 1.00 53.53 H new ATOM 0 HD2 LYS A 58 -10.180 -19.453 18.421 1.00 65.03 H new ATOM 0 HD3 LYS A 58 -10.086 -20.524 19.804 1.00 65.03 H new ATOM 0 HE2 LYS A 58 -11.092 -21.321 17.036 1.00 43.55 H new ATOM 0 HE3 LYS A 58 -9.492 -21.667 17.663 1.00 43.55 H new ATOM 0 HZ1 LYS A 58 -10.863 -23.582 17.942 1.00 5.32 H new ATOM 0 HZ2 LYS A 58 -10.571 -22.934 19.484 1.00 5.32 H new ATOM 0 HZ3 LYS A 58 -12.073 -22.690 18.732 1.00 5.32 H new ATOM 911 N ILE A 59 -13.866 -16.424 21.750 1.00 62.44 N ATOM 912 CA ILE A 59 -13.910 -15.420 22.820 1.00 40.44 C ATOM 913 C ILE A 59 -15.292 -15.379 23.496 1.00 14.11 C ATOM 914 O ILE A 59 -15.396 -15.380 24.725 1.00 53.10 O ATOM 915 CB ILE A 59 -13.554 -14.011 22.276 1.00 0.13 C ATOM 916 CG1 ILE A 59 -12.148 -14.023 21.648 1.00 63.02 C ATOM 917 CG2 ILE A 59 -13.644 -12.959 23.385 1.00 15.21 C ATOM 918 CD1 ILE A 59 -11.729 -12.700 21.036 1.00 34.43 C ATOM 0 H ILE A 59 -14.025 -16.048 20.815 1.00 62.44 H new ATOM 0 HA ILE A 59 -13.168 -15.711 23.564 1.00 40.44 H new ATOM 0 HB ILE A 59 -14.277 -13.746 21.504 1.00 0.13 H new ATOM 0 HG12 ILE A 59 -11.423 -14.303 22.413 1.00 63.02 H new ATOM 0 HG13 ILE A 59 -12.113 -14.794 20.878 1.00 63.02 H new ATOM 0 HG21 ILE A 59 -13.390 -11.980 22.979 1.00 15.21 H new ATOM 0 HG22 ILE A 59 -14.659 -12.935 23.782 1.00 15.21 H new ATOM 0 HG23 ILE A 59 -12.947 -13.212 24.184 1.00 15.21 H new ATOM 0 HD11 ILE A 59 -10.728 -12.794 20.616 1.00 34.43 H new ATOM 0 HD12 ILE A 59 -12.429 -12.426 20.247 1.00 34.43 H new ATOM 0 HD13 ILE A 59 -11.729 -11.927 21.805 1.00 34.43 H new ATOM 930 N GLY A 60 -16.349 -15.336 22.681 1.00 13.41 N ATOM 931 CA GLY A 60 -17.713 -15.303 23.206 1.00 61.41 C ATOM 932 C GLY A 60 -17.974 -14.113 24.130 1.00 3.33 C ATOM 933 O GLY A 60 -17.975 -12.963 23.680 1.00 14.02 O ATOM 0 H GLY A 60 -16.286 -15.323 21.663 1.00 13.41 H new ATOM 0 HA2 GLY A 60 -18.415 -15.269 22.373 1.00 61.41 H new ATOM 0 HA3 GLY A 60 -17.908 -16.227 23.750 1.00 61.41 H new ATOM 937 N PRO A 61 -18.212 -14.350 25.434 1.00 25.13 N ATOM 938 CA PRO A 61 -18.408 -13.267 26.411 1.00 74.11 C ATOM 939 C PRO A 61 -17.099 -12.531 26.755 1.00 32.22 C ATOM 940 O PRO A 61 -17.112 -11.354 27.121 1.00 50.21 O ATOM 941 CB PRO A 61 -18.960 -14.002 27.639 1.00 4.01 C ATOM 942 CG PRO A 61 -18.400 -15.381 27.533 1.00 73.13 C ATOM 943 CD PRO A 61 -18.321 -15.685 26.059 1.00 61.45 C ATOM 0 HA PRO A 61 -19.067 -12.487 26.030 1.00 74.11 H new ATOM 0 HB2 PRO A 61 -18.649 -13.517 28.564 1.00 4.01 H new ATOM 0 HB3 PRO A 61 -20.050 -14.015 27.637 1.00 4.01 H new ATOM 0 HG2 PRO A 61 -17.415 -15.439 27.997 1.00 73.13 H new ATOM 0 HG3 PRO A 61 -19.037 -16.101 28.046 1.00 73.13 H new ATOM 0 HD2 PRO A 61 -17.459 -16.309 25.824 1.00 61.45 H new ATOM 0 HD3 PRO A 61 -19.205 -16.219 25.712 1.00 61.45 H new ATOM 951 N GLY A 62 -15.971 -13.225 26.626 1.00 40.30 N ATOM 952 CA GLY A 62 -14.680 -12.631 26.961 1.00 23.30 C ATOM 953 C GLY A 62 -13.642 -13.659 27.400 1.00 72.31 C ATOM 954 O GLY A 62 -13.979 -14.798 27.736 1.00 30.14 O ATOM 0 H GLY A 62 -15.924 -14.189 26.296 1.00 40.30 H new ATOM 0 HA2 GLY A 62 -14.301 -12.089 26.095 1.00 23.30 H new ATOM 0 HA3 GLY A 62 -14.819 -11.901 27.758 1.00 23.30 H new ATOM 958 N VAL A 63 -12.376 -13.250 27.411 1.00 74.33 N ATOM 959 CA VAL A 63 -11.279 -14.133 27.814 1.00 0.11 C ATOM 960 C VAL A 63 -10.859 -13.867 29.267 1.00 45.44 C ATOM 961 O VAL A 63 -10.424 -12.765 29.610 1.00 41.04 O ATOM 962 CB VAL A 63 -10.046 -13.960 26.890 1.00 30.32 C ATOM 963 CG1 VAL A 63 -8.918 -14.907 27.302 1.00 14.33 C ATOM 964 CG2 VAL A 63 -10.433 -14.176 25.426 1.00 22.24 C ATOM 0 H VAL A 63 -12.081 -12.310 27.145 1.00 74.33 H new ATOM 0 HA VAL A 63 -11.647 -15.155 27.728 1.00 0.11 H new ATOM 0 HB VAL A 63 -9.682 -12.938 26.998 1.00 30.32 H new ATOM 0 HG11 VAL A 63 -8.064 -14.767 26.639 1.00 14.33 H new ATOM 0 HG12 VAL A 63 -8.619 -14.692 28.328 1.00 14.33 H new ATOM 0 HG13 VAL A 63 -9.265 -15.938 27.233 1.00 14.33 H new ATOM 0 HG21 VAL A 63 -9.553 -14.050 24.795 1.00 22.24 H new ATOM 0 HG22 VAL A 63 -10.829 -15.183 25.299 1.00 22.24 H new ATOM 0 HG23 VAL A 63 -11.193 -13.449 25.139 1.00 22.24 H new ATOM 974 N ARG A 64 -11.002 -14.877 30.118 1.00 73.33 N ATOM 975 CA ARG A 64 -10.569 -14.787 31.516 1.00 11.02 C ATOM 976 C ARG A 64 -9.036 -14.729 31.603 1.00 22.24 C ATOM 977 O ARG A 64 -8.466 -13.819 32.211 1.00 44.51 O ATOM 978 CB ARG A 64 -11.102 -15.997 32.301 1.00 65.34 C ATOM 979 CG ARG A 64 -10.732 -16.005 33.783 1.00 41.44 C ATOM 980 CD ARG A 64 -11.344 -14.829 34.535 1.00 13.01 C ATOM 981 NE ARG A 64 -11.068 -14.897 35.968 1.00 23.01 N ATOM 982 CZ ARG A 64 -11.533 -14.052 36.847 1.00 11.21 C ATOM 983 NH1 ARG A 64 -12.224 -13.023 36.474 1.00 43.32 N ATOM 984 NH2 ARG A 64 -11.272 -14.218 38.101 1.00 73.11 N ATOM 0 H ARG A 64 -11.416 -15.774 29.866 1.00 73.33 H new ATOM 0 HA ARG A 64 -10.970 -13.872 31.952 1.00 11.02 H new ATOM 0 HB2 ARG A 64 -12.188 -16.023 32.211 1.00 65.34 H new ATOM 0 HB3 ARG A 64 -10.722 -16.909 31.840 1.00 65.34 H new ATOM 0 HG2 ARG A 64 -11.069 -16.938 34.235 1.00 41.44 H new ATOM 0 HG3 ARG A 64 -9.647 -15.975 33.885 1.00 41.44 H new ATOM 0 HD2 ARG A 64 -10.949 -13.896 34.133 1.00 13.01 H new ATOM 0 HD3 ARG A 64 -12.422 -14.815 34.373 1.00 13.01 H new ATOM 0 HE ARG A 64 -10.473 -15.654 36.303 1.00 23.01 H new ATOM 0 HH11 ARG A 64 -12.410 -12.866 35.484 1.00 43.32 H new ATOM 0 HH12 ARG A 64 -12.582 -12.370 37.170 1.00 43.32 H new ATOM 0 HH21 ARG A 64 -10.703 -15.009 38.403 1.00 73.11 H new ATOM 0 HH22 ARG A 64 -11.635 -13.558 38.789 1.00 73.11 H new ATOM 998 N ASN A 65 -8.385 -15.713 30.987 1.00 63.10 N ATOM 999 CA ASN A 65 -6.920 -15.787 30.929 1.00 52.23 C ATOM 1000 C ASN A 65 -6.466 -16.956 30.039 1.00 35.32 C ATOM 1001 O ASN A 65 -7.286 -17.605 29.385 1.00 32.14 O ATOM 1002 CB ASN A 65 -6.323 -15.919 32.344 1.00 60.53 C ATOM 1003 CG ASN A 65 -6.931 -17.060 33.144 1.00 24.11 C ATOM 1004 OD1 ASN A 65 -7.304 -18.092 32.603 1.00 55.13 O ATOM 1005 ND2 ASN A 65 -7.035 -16.882 34.445 1.00 45.23 N ATOM 0 H ASN A 65 -8.855 -16.484 30.512 1.00 63.10 H new ATOM 0 HA ASN A 65 -6.553 -14.860 30.488 1.00 52.23 H new ATOM 0 HB2 ASN A 65 -5.247 -16.072 32.265 1.00 60.53 H new ATOM 0 HB3 ASN A 65 -6.473 -14.984 32.884 1.00 60.53 H new ATOM 0 HD21 ASN A 65 -7.435 -17.616 35.030 1.00 45.23 H new ATOM 0 HD22 ASN A 65 -6.715 -16.011 34.868 1.00 45.23 H new ATOM 1012 N PHE A 66 -5.161 -17.211 30.001 1.00 42.12 N ATOM 1013 CA PHE A 66 -4.611 -18.326 29.220 1.00 30.04 C ATOM 1014 C PHE A 66 -3.824 -19.290 30.111 1.00 24.44 C ATOM 1015 O PHE A 66 -3.093 -18.867 31.006 1.00 54.42 O ATOM 1016 CB PHE A 66 -3.700 -17.809 28.099 1.00 44.22 C ATOM 1017 CG PHE A 66 -4.429 -17.069 27.008 1.00 32.25 C ATOM 1018 CD1 PHE A 66 -4.807 -15.746 27.180 1.00 1.41 C ATOM 1019 CD2 PHE A 66 -4.732 -17.697 25.809 1.00 51.13 C ATOM 1020 CE1 PHE A 66 -5.472 -15.066 26.180 1.00 62.15 C ATOM 1021 CE2 PHE A 66 -5.398 -17.020 24.807 1.00 30.54 C ATOM 1022 CZ PHE A 66 -5.769 -15.703 24.991 1.00 42.24 C ATOM 0 H PHE A 66 -4.461 -16.663 30.501 1.00 42.12 H new ATOM 0 HA PHE A 66 -5.452 -18.861 28.780 1.00 30.04 H new ATOM 0 HB2 PHE A 66 -2.948 -17.149 28.531 1.00 44.22 H new ATOM 0 HB3 PHE A 66 -3.168 -18.653 27.659 1.00 44.22 H new ATOM 0 HD1 PHE A 66 -4.578 -15.242 28.107 1.00 1.41 H new ATOM 0 HD2 PHE A 66 -4.444 -18.727 25.658 1.00 51.13 H new ATOM 0 HE1 PHE A 66 -5.760 -14.036 26.327 1.00 62.15 H new ATOM 0 HE2 PHE A 66 -5.629 -17.521 23.879 1.00 30.54 H new ATOM 0 HZ PHE A 66 -6.290 -15.172 24.208 1.00 42.24 H new ATOM 1032 N GLU A 67 -3.972 -20.584 29.859 1.00 52.33 N ATOM 1033 CA GLU A 67 -3.225 -21.607 30.595 1.00 12.04 C ATOM 1034 C GLU A 67 -2.218 -22.312 29.680 1.00 73.12 C ATOM 1035 O GLU A 67 -2.529 -22.643 28.534 1.00 41.35 O ATOM 1036 CB GLU A 67 -4.185 -22.637 31.206 1.00 31.43 C ATOM 1037 CG GLU A 67 -3.484 -23.743 31.992 1.00 0.43 C ATOM 1038 CD GLU A 67 -4.458 -24.728 32.618 1.00 54.22 C ATOM 1039 OE1 GLU A 67 -4.923 -24.472 33.748 1.00 4.31 O ATOM 1040 OE2 GLU A 67 -4.764 -25.763 31.986 1.00 21.22 O ATOM 0 H GLU A 67 -4.603 -20.955 29.149 1.00 52.33 H new ATOM 0 HA GLU A 67 -2.678 -21.112 31.397 1.00 12.04 H new ATOM 0 HB2 GLU A 67 -4.884 -22.122 31.866 1.00 31.43 H new ATOM 0 HB3 GLU A 67 -4.774 -23.089 30.408 1.00 31.43 H new ATOM 0 HG2 GLU A 67 -2.807 -24.281 31.329 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -2.874 -23.295 32.776 1.00 0.43 H new ATOM 1047 N VAL A 68 -1.009 -22.528 30.187 1.00 12.31 N ATOM 1048 CA VAL A 68 0.010 -23.281 29.459 1.00 0.02 C ATOM 1049 C VAL A 68 -0.135 -24.778 29.751 1.00 75.01 C ATOM 1050 O VAL A 68 0.143 -25.232 30.858 1.00 52.03 O ATOM 1051 CB VAL A 68 1.438 -22.816 29.842 1.00 2.34 C ATOM 1052 CG1 VAL A 68 2.496 -23.631 29.099 1.00 61.21 C ATOM 1053 CG2 VAL A 68 1.611 -21.321 29.572 1.00 33.13 C ATOM 0 H VAL A 68 -0.709 -22.192 31.102 1.00 12.31 H new ATOM 0 HA VAL A 68 -0.137 -23.097 28.395 1.00 0.02 H new ATOM 0 HB VAL A 68 1.574 -22.986 30.910 1.00 2.34 H new ATOM 0 HG11 VAL A 68 3.489 -23.285 29.385 1.00 61.21 H new ATOM 0 HG12 VAL A 68 2.391 -24.685 29.357 1.00 61.21 H new ATOM 0 HG13 VAL A 68 2.364 -23.505 28.024 1.00 61.21 H new ATOM 0 HG21 VAL A 68 2.620 -21.016 29.848 1.00 33.13 H new ATOM 0 HG22 VAL A 68 1.448 -21.121 28.513 1.00 33.13 H new ATOM 0 HG23 VAL A 68 0.888 -20.759 30.162 1.00 33.13 H new ATOM 1063 N ARG A 69 -0.586 -25.541 28.761 1.00 3.45 N ATOM 1064 CA ARG A 69 -0.831 -26.978 28.941 1.00 20.31 C ATOM 1065 C ARG A 69 -0.158 -27.796 27.827 1.00 63.13 C ATOM 1066 O ARG A 69 0.010 -27.312 26.706 1.00 60.03 O ATOM 1067 CB ARG A 69 -2.346 -27.231 28.952 1.00 63.14 C ATOM 1068 CG ARG A 69 -2.756 -28.633 29.393 1.00 44.14 C ATOM 1069 CD ARG A 69 -4.265 -28.843 29.275 1.00 61.01 C ATOM 1070 NE ARG A 69 -5.027 -27.825 30.004 1.00 1.15 N ATOM 1071 CZ ARG A 69 -6.318 -27.648 29.892 1.00 24.21 C ATOM 1072 NH1 ARG A 69 -7.026 -28.401 29.114 1.00 44.12 N ATOM 1073 NH2 ARG A 69 -6.898 -26.709 30.566 1.00 30.41 N ATOM 0 H ARG A 69 -0.791 -25.194 27.824 1.00 3.45 H new ATOM 0 HA ARG A 69 -0.400 -27.296 29.890 1.00 20.31 H new ATOM 0 HB2 ARG A 69 -2.817 -26.505 29.614 1.00 63.14 H new ATOM 0 HB3 ARG A 69 -2.738 -27.051 27.951 1.00 63.14 H new ATOM 0 HG2 ARG A 69 -2.237 -29.373 28.784 1.00 44.14 H new ATOM 0 HG3 ARG A 69 -2.445 -28.795 30.425 1.00 44.14 H new ATOM 0 HD2 ARG A 69 -4.551 -28.824 28.223 1.00 61.01 H new ATOM 0 HD3 ARG A 69 -4.523 -29.830 29.658 1.00 61.01 H new ATOM 0 HE ARG A 69 -4.516 -27.214 30.641 1.00 1.15 H new ATOM 0 HH11 ARG A 69 -6.578 -29.144 28.578 1.00 44.12 H new ATOM 0 HH12 ARG A 69 -8.032 -28.251 29.037 1.00 44.12 H new ATOM 0 HH21 ARG A 69 -6.349 -26.110 31.182 1.00 30.41 H new ATOM 0 HH22 ARG A 69 -7.905 -26.568 30.481 1.00 30.41 H new ATOM 1087 N SER A 70 0.237 -29.029 28.139 1.00 15.32 N ATOM 1088 CA SER A 70 0.856 -29.915 27.141 1.00 40.53 C ATOM 1089 C SER A 70 -0.198 -30.461 26.167 1.00 34.14 C ATOM 1090 O SER A 70 -1.324 -30.765 26.563 1.00 22.25 O ATOM 1091 CB SER A 70 1.586 -31.078 27.827 1.00 1.53 C ATOM 1092 OG SER A 70 0.701 -31.847 28.628 1.00 2.02 O ATOM 0 H SER A 70 0.143 -29.440 29.068 1.00 15.32 H new ATOM 0 HA SER A 70 1.581 -29.328 26.577 1.00 40.53 H new ATOM 0 HB2 SER A 70 2.044 -31.717 27.072 1.00 1.53 H new ATOM 0 HB3 SER A 70 2.393 -30.688 28.447 1.00 1.53 H new ATOM 0 HG SER A 70 1.195 -32.581 29.050 1.00 2.02 H new ATOM 1098 N ALA A 71 0.167 -30.588 24.891 1.00 62.34 N ATOM 1099 CA ALA A 71 -0.792 -31.014 23.862 1.00 61.21 C ATOM 1100 C ALA A 71 -0.224 -32.114 22.949 1.00 63.15 C ATOM 1101 O ALA A 71 -0.670 -33.263 22.996 1.00 34.43 O ATOM 1102 CB ALA A 71 -1.236 -29.813 23.034 1.00 55.01 C ATOM 0 H ALA A 71 1.109 -30.405 24.544 1.00 62.34 H new ATOM 0 HA ALA A 71 -1.653 -31.441 24.376 1.00 61.21 H new ATOM 0 HB1 ALA A 71 -1.947 -30.138 22.274 1.00 55.01 H new ATOM 0 HB2 ALA A 71 -1.711 -29.078 23.684 1.00 55.01 H new ATOM 0 HB3 ALA A 71 -0.368 -29.363 22.551 1.00 55.01 H new ATOM 1108 N ASP A 72 0.759 -31.755 22.123 1.00 75.15 N ATOM 1109 CA ASP A 72 1.350 -32.694 21.157 1.00 34.22 C ATOM 1110 C ASP A 72 2.844 -32.379 20.940 1.00 51.43 C ATOM 1111 O ASP A 72 3.322 -31.325 21.361 1.00 62.15 O ATOM 1112 CB ASP A 72 0.578 -32.618 19.832 1.00 34.42 C ATOM 1113 CG ASP A 72 0.890 -33.775 18.899 1.00 14.12 C ATOM 1114 OD1 ASP A 72 1.829 -33.655 18.090 1.00 44.53 O ATOM 1115 OD2 ASP A 72 0.193 -34.809 18.969 1.00 12.14 O ATOM 0 H ASP A 72 1.166 -30.820 22.100 1.00 75.15 H new ATOM 0 HA ASP A 72 1.277 -33.708 21.551 1.00 34.22 H new ATOM 0 HB2 ASP A 72 -0.492 -32.605 20.041 1.00 34.42 H new ATOM 0 HB3 ASP A 72 0.817 -31.680 19.331 1.00 34.42 H new ATOM 1120 N TYR A 73 3.577 -33.293 20.290 1.00 32.54 N ATOM 1121 CA TYR A 73 5.039 -33.158 20.100 1.00 15.33 C ATOM 1122 C TYR A 73 5.791 -33.168 21.443 1.00 11.34 C ATOM 1123 O TYR A 73 7.011 -32.986 21.484 1.00 15.23 O ATOM 1124 CB TYR A 73 5.392 -31.861 19.344 1.00 25.35 C ATOM 1125 CG TYR A 73 4.889 -31.790 17.914 1.00 4.23 C ATOM 1126 CD1 TYR A 73 5.575 -32.427 16.886 1.00 50.14 C ATOM 1127 CD2 TYR A 73 3.746 -31.066 17.588 1.00 41.35 C ATOM 1128 CE1 TYR A 73 5.137 -32.345 15.578 1.00 14.23 C ATOM 1129 CE2 TYR A 73 3.302 -30.985 16.281 1.00 42.21 C ATOM 1130 CZ TYR A 73 4.001 -31.624 15.280 1.00 72.34 C ATOM 1131 OH TYR A 73 3.566 -31.541 13.975 1.00 4.23 O ATOM 0 H TYR A 73 3.184 -34.141 19.882 1.00 32.54 H new ATOM 0 HA TYR A 73 5.352 -34.019 19.509 1.00 15.33 H new ATOM 0 HB2 TYR A 73 4.986 -31.015 19.898 1.00 25.35 H new ATOM 0 HB3 TYR A 73 6.476 -31.747 19.337 1.00 25.35 H new ATOM 0 HD1 TYR A 73 6.465 -32.995 17.114 1.00 50.14 H new ATOM 0 HD2 TYR A 73 3.197 -30.559 18.368 1.00 41.35 H new ATOM 0 HE1 TYR A 73 5.683 -32.844 14.792 1.00 14.23 H new ATOM 0 HE2 TYR A 73 2.410 -30.423 16.045 1.00 42.21 H new ATOM 0 HH TYR A 73 2.752 -30.997 13.936 1.00 4.23 H new ATOM 1141 N GLY A 74 5.067 -33.395 22.537 1.00 25.43 N ATOM 1142 CA GLY A 74 5.637 -33.201 23.866 1.00 73.53 C ATOM 1143 C GLY A 74 5.887 -31.723 24.173 1.00 74.12 C ATOM 1144 O GLY A 74 6.661 -31.383 25.068 1.00 31.21 O ATOM 0 H GLY A 74 4.097 -33.709 22.530 1.00 25.43 H new ATOM 0 HA2 GLY A 74 4.962 -33.617 24.614 1.00 73.53 H new ATOM 0 HA3 GLY A 74 6.575 -33.751 23.942 1.00 73.53 H new ATOM 1148 N THR A 75 5.222 -30.845 23.416 1.00 12.31 N ATOM 1149 CA THR A 75 5.375 -29.389 23.568 1.00 40.34 C ATOM 1150 C THR A 75 4.158 -28.760 24.257 1.00 25.33 C ATOM 1151 O THR A 75 3.174 -29.441 24.568 1.00 43.23 O ATOM 1152 CB THR A 75 5.587 -28.683 22.201 1.00 14.42 C ATOM 1153 OG1 THR A 75 4.448 -28.885 21.344 1.00 65.52 O ATOM 1154 CG2 THR A 75 6.851 -29.194 21.514 1.00 72.13 C ATOM 0 H THR A 75 4.566 -31.118 22.684 1.00 12.31 H new ATOM 0 HA THR A 75 6.259 -29.244 24.189 1.00 40.34 H new ATOM 0 HB THR A 75 5.702 -27.616 22.391 1.00 14.42 H new ATOM 0 HG1 THR A 75 3.958 -29.683 21.634 1.00 65.52 H new ATOM 0 HG21 THR A 75 6.977 -28.684 20.559 1.00 72.13 H new ATOM 0 HG22 THR A 75 7.715 -28.996 22.148 1.00 72.13 H new ATOM 0 HG23 THR A 75 6.764 -30.267 21.344 1.00 72.13 H new ATOM 1162 N GLN A 76 4.229 -27.453 24.480 1.00 51.12 N ATOM 1163 CA GLN A 76 3.180 -26.720 25.194 1.00 52.44 C ATOM 1164 C GLN A 76 2.197 -26.043 24.219 1.00 14.11 C ATOM 1165 O GLN A 76 2.496 -25.861 23.039 1.00 41.52 O ATOM 1166 CB GLN A 76 3.835 -25.662 26.089 1.00 25.14 C ATOM 1167 CG GLN A 76 4.914 -26.217 27.016 1.00 0.03 C ATOM 1168 CD GLN A 76 5.853 -25.139 27.530 1.00 11.34 C ATOM 1169 OE1 GLN A 76 6.860 -24.829 26.902 1.00 22.24 O ATOM 1170 NE2 GLN A 76 5.538 -24.563 28.670 1.00 41.23 N ATOM 0 H GLN A 76 5.009 -26.871 24.175 1.00 51.12 H new ATOM 0 HA GLN A 76 2.611 -27.428 25.797 1.00 52.44 H new ATOM 0 HB2 GLN A 76 4.274 -24.889 25.459 1.00 25.14 H new ATOM 0 HB3 GLN A 76 3.064 -25.182 26.692 1.00 25.14 H new ATOM 0 HG2 GLN A 76 4.440 -26.715 27.862 1.00 0.03 H new ATOM 0 HG3 GLN A 76 5.491 -26.973 26.484 1.00 0.03 H new ATOM 0 HE21 GLN A 76 4.693 -24.844 29.167 1.00 41.23 H new ATOM 0 HE22 GLN A 76 6.139 -23.835 29.057 1.00 41.23 H new ATOM 1179 N CYS A 77 1.023 -25.672 24.727 1.00 3.33 N ATOM 1180 CA CYS A 77 0.016 -24.948 23.935 1.00 50.22 C ATOM 1181 C CYS A 77 -0.787 -23.982 24.818 1.00 33.50 C ATOM 1182 O CYS A 77 -0.973 -24.228 26.011 1.00 41.34 O ATOM 1183 CB CYS A 77 -0.938 -25.929 23.232 1.00 22.10 C ATOM 1184 SG CYS A 77 -0.164 -26.917 21.927 1.00 35.44 S ATOM 0 H CYS A 77 0.740 -25.860 25.689 1.00 3.33 H new ATOM 0 HA CYS A 77 0.546 -24.370 23.177 1.00 50.22 H new ATOM 0 HB2 CYS A 77 -1.362 -26.602 23.977 1.00 22.10 H new ATOM 0 HB3 CYS A 77 -1.767 -25.366 22.802 1.00 22.10 H new ATOM 0 HG CYS A 77 1.127 -26.782 21.989 1.00 35.44 H new ATOM 1190 N PHE A 78 -1.248 -22.880 24.227 1.00 73.21 N ATOM 1191 CA PHE A 78 -2.051 -21.883 24.949 1.00 71.53 C ATOM 1192 C PHE A 78 -3.547 -22.243 24.947 1.00 51.22 C ATOM 1193 O PHE A 78 -4.155 -22.419 23.888 1.00 20.24 O ATOM 1194 CB PHE A 78 -1.864 -20.490 24.329 1.00 11.32 C ATOM 1195 CG PHE A 78 -0.467 -19.925 24.465 1.00 62.32 C ATOM 1196 CD1 PHE A 78 0.005 -19.497 25.699 1.00 54.40 C ATOM 1197 CD2 PHE A 78 0.369 -19.808 23.359 1.00 13.01 C ATOM 1198 CE1 PHE A 78 1.276 -18.966 25.827 1.00 41.00 C ATOM 1199 CE2 PHE A 78 1.639 -19.275 23.484 1.00 14.34 C ATOM 1200 CZ PHE A 78 2.092 -18.854 24.720 1.00 4.43 C ATOM 0 H PHE A 78 -1.081 -22.651 23.247 1.00 73.21 H new ATOM 0 HA PHE A 78 -1.701 -21.877 25.981 1.00 71.53 H new ATOM 0 HB2 PHE A 78 -2.121 -20.540 23.271 1.00 11.32 H new ATOM 0 HB3 PHE A 78 -2.568 -19.801 24.796 1.00 11.32 H new ATOM 0 HD1 PHE A 78 -0.628 -19.580 26.570 1.00 54.40 H new ATOM 0 HD2 PHE A 78 0.022 -20.138 22.391 1.00 13.01 H new ATOM 0 HE1 PHE A 78 1.630 -18.639 26.794 1.00 41.00 H new ATOM 0 HE2 PHE A 78 2.276 -19.188 22.616 1.00 14.34 H new ATOM 0 HZ PHE A 78 3.084 -18.438 24.819 1.00 4.43 H new ATOM 1210 N TRP A 79 -4.130 -22.352 26.139 1.00 33.00 N ATOM 1211 CA TRP A 79 -5.570 -22.601 26.286 1.00 10.34 C ATOM 1212 C TRP A 79 -6.322 -21.328 26.710 1.00 33.24 C ATOM 1213 O TRP A 79 -5.955 -20.663 27.680 1.00 53.04 O ATOM 1214 CB TRP A 79 -5.815 -23.726 27.301 1.00 52.41 C ATOM 1215 CG TRP A 79 -5.440 -25.088 26.785 1.00 43.14 C ATOM 1216 CD1 TRP A 79 -4.180 -25.589 26.623 1.00 63.51 C ATOM 1217 CD2 TRP A 79 -6.339 -26.119 26.356 1.00 30.52 C ATOM 1218 NE1 TRP A 79 -4.241 -26.870 26.126 1.00 2.31 N ATOM 1219 CE2 TRP A 79 -5.556 -27.217 25.953 1.00 2.54 C ATOM 1220 CE3 TRP A 79 -7.730 -26.219 26.277 1.00 54.12 C ATOM 1221 CZ2 TRP A 79 -6.119 -28.401 25.480 1.00 53.43 C ATOM 1222 CZ3 TRP A 79 -8.288 -27.393 25.805 1.00 41.44 C ATOM 1223 CH2 TRP A 79 -7.484 -28.470 25.411 1.00 64.13 C ATOM 0 H TRP A 79 -3.628 -22.272 27.023 1.00 33.00 H new ATOM 0 HA TRP A 79 -5.956 -22.908 25.314 1.00 10.34 H new ATOM 0 HB2 TRP A 79 -5.245 -23.519 28.206 1.00 52.41 H new ATOM 0 HB3 TRP A 79 -6.868 -23.729 27.582 1.00 52.41 H new ATOM 0 HD1 TRP A 79 -3.268 -25.057 26.852 1.00 63.51 H new ATOM 0 HE1 TRP A 79 -3.439 -27.465 25.920 1.00 2.31 H new ATOM 0 HE3 TRP A 79 -8.358 -25.394 26.579 1.00 54.12 H new ATOM 0 HZ2 TRP A 79 -5.501 -29.234 25.179 1.00 53.43 H new ATOM 0 HZ3 TRP A 79 -9.362 -27.481 25.739 1.00 41.44 H new ATOM 0 HH2 TRP A 79 -7.951 -29.373 25.045 1.00 64.13 H new ATOM 1234 N ILE A 80 -7.377 -21.008 25.970 1.00 15.31 N ATOM 1235 CA ILE A 80 -8.198 -19.823 26.230 1.00 52.13 C ATOM 1236 C ILE A 80 -9.285 -20.113 27.281 1.00 71.12 C ATOM 1237 O ILE A 80 -10.291 -20.756 26.982 1.00 40.45 O ATOM 1238 CB ILE A 80 -8.902 -19.348 24.932 1.00 63.15 C ATOM 1239 CG1 ILE A 80 -7.900 -19.263 23.770 1.00 63.42 C ATOM 1240 CG2 ILE A 80 -9.591 -17.999 25.156 1.00 53.45 C ATOM 1241 CD1 ILE A 80 -8.547 -18.993 22.429 1.00 2.33 C ATOM 0 H ILE A 80 -7.691 -21.560 25.172 1.00 15.31 H new ATOM 0 HA ILE A 80 -7.527 -19.049 26.601 1.00 52.13 H new ATOM 0 HB ILE A 80 -9.665 -20.081 24.668 1.00 63.15 H new ATOM 0 HG12 ILE A 80 -7.178 -18.474 23.981 1.00 63.42 H new ATOM 0 HG13 ILE A 80 -7.343 -20.198 23.713 1.00 63.42 H new ATOM 0 HG21 ILE A 80 -10.079 -17.682 24.234 1.00 53.45 H new ATOM 0 HG22 ILE A 80 -10.336 -18.098 25.946 1.00 53.45 H new ATOM 0 HG23 ILE A 80 -8.849 -17.256 25.448 1.00 53.45 H new ATOM 0 HD11 ILE A 80 -7.779 -18.946 21.657 1.00 2.33 H new ATOM 0 HD12 ILE A 80 -9.248 -19.794 22.195 1.00 2.33 H new ATOM 0 HD13 ILE A 80 -9.081 -18.044 22.467 1.00 2.33 H new ATOM 1253 N LEU A 81 -9.085 -19.652 28.510 1.00 41.34 N ATOM 1254 CA LEU A 81 -10.117 -19.786 29.544 1.00 1.24 C ATOM 1255 C LEU A 81 -11.174 -18.684 29.385 1.00 51.33 C ATOM 1256 O LEU A 81 -10.897 -17.505 29.598 1.00 11.34 O ATOM 1257 CB LEU A 81 -9.505 -19.752 30.956 1.00 22.50 C ATOM 1258 CG LEU A 81 -8.698 -21.003 31.363 1.00 31.13 C ATOM 1259 CD1 LEU A 81 -9.534 -22.268 31.204 1.00 5.34 C ATOM 1260 CD2 LEU A 81 -7.401 -21.106 30.565 1.00 11.52 C ATOM 0 H LEU A 81 -8.231 -19.187 28.817 1.00 41.34 H new ATOM 0 HA LEU A 81 -10.598 -20.756 29.417 1.00 1.24 H new ATOM 0 HB2 LEU A 81 -8.853 -18.881 31.029 1.00 22.50 H new ATOM 0 HB3 LEU A 81 -10.309 -19.610 31.678 1.00 22.50 H new ATOM 0 HG LEU A 81 -8.436 -20.901 32.416 1.00 31.13 H new ATOM 0 HD11 LEU A 81 -8.942 -23.135 31.497 1.00 5.34 H new ATOM 0 HD12 LEU A 81 -10.419 -22.202 31.837 1.00 5.34 H new ATOM 0 HD13 LEU A 81 -9.840 -22.373 30.163 1.00 5.34 H new ATOM 0 HD21 LEU A 81 -6.854 -21.997 30.873 1.00 11.52 H new ATOM 0 HD22 LEU A 81 -7.632 -21.172 29.502 1.00 11.52 H new ATOM 0 HD23 LEU A 81 -6.789 -20.223 30.749 1.00 11.52 H new ATOM 1272 N ARG A 82 -12.379 -19.080 28.988 1.00 73.40 N ATOM 1273 CA ARG A 82 -13.470 -18.136 28.715 1.00 63.31 C ATOM 1274 C ARG A 82 -14.214 -17.734 29.999 1.00 61.54 C ATOM 1275 O ARG A 82 -14.320 -18.523 30.938 1.00 53.12 O ATOM 1276 CB ARG A 82 -14.446 -18.769 27.718 1.00 74.24 C ATOM 1277 CG ARG A 82 -13.822 -19.081 26.363 1.00 31.42 C ATOM 1278 CD ARG A 82 -14.734 -19.957 25.510 1.00 22.42 C ATOM 1279 NE ARG A 82 -16.102 -19.438 25.459 1.00 0.43 N ATOM 1280 CZ ARG A 82 -16.733 -19.122 24.363 1.00 61.00 C ATOM 1281 NH1 ARG A 82 -16.162 -19.261 23.209 1.00 21.44 N ATOM 1282 NH2 ARG A 82 -17.945 -18.673 24.434 1.00 31.14 N ATOM 0 H ARG A 82 -12.631 -20.058 28.845 1.00 73.40 H new ATOM 0 HA ARG A 82 -13.038 -17.229 28.292 1.00 63.31 H new ATOM 0 HB2 ARG A 82 -14.842 -19.690 28.146 1.00 74.24 H new ATOM 0 HB3 ARG A 82 -15.291 -18.096 27.573 1.00 74.24 H new ATOM 0 HG2 ARG A 82 -13.614 -18.150 25.835 1.00 31.42 H new ATOM 0 HG3 ARG A 82 -12.867 -19.585 26.510 1.00 31.42 H new ATOM 0 HD2 ARG A 82 -14.333 -20.021 24.499 1.00 22.42 H new ATOM 0 HD3 ARG A 82 -14.745 -20.970 25.913 1.00 22.42 H new ATOM 0 HE ARG A 82 -16.596 -19.315 26.343 1.00 0.43 H new ATOM 0 HH11 ARG A 82 -15.209 -19.621 23.151 1.00 21.44 H new ATOM 0 HH12 ARG A 82 -16.665 -19.011 22.358 1.00 21.44 H new ATOM 0 HH21 ARG A 82 -18.398 -18.569 25.342 1.00 31.14 H new ATOM 0 HH22 ARG A 82 -18.447 -18.423 23.582 1.00 31.14 H new ATOM 1296 N THR A 83 -14.746 -16.509 30.025 1.00 71.13 N ATOM 1297 CA THR A 83 -15.449 -15.986 31.210 1.00 73.01 C ATOM 1298 C THR A 83 -16.772 -16.719 31.485 1.00 62.25 C ATOM 1299 O THR A 83 -17.355 -16.571 32.560 1.00 35.02 O ATOM 1300 CB THR A 83 -15.739 -14.469 31.086 1.00 42.02 C ATOM 1301 OG1 THR A 83 -16.572 -14.214 29.946 1.00 71.22 O ATOM 1302 CG2 THR A 83 -14.446 -13.669 30.963 1.00 31.22 C ATOM 0 H THR A 83 -14.706 -15.857 29.241 1.00 71.13 H new ATOM 0 HA THR A 83 -14.772 -16.161 32.046 1.00 73.01 H new ATOM 0 HB THR A 83 -16.256 -14.154 31.992 1.00 42.02 H new ATOM 0 HG1 THR A 83 -16.750 -13.253 29.879 1.00 71.22 H new ATOM 0 HG21 THR A 83 -14.681 -12.608 30.878 1.00 31.22 H new ATOM 0 HG22 THR A 83 -13.830 -13.834 31.847 1.00 31.22 H new ATOM 0 HG23 THR A 83 -13.901 -13.992 30.076 1.00 31.22 H new ATOM 1310 N ASP A 84 -17.254 -17.499 30.516 1.00 2.33 N ATOM 1311 CA ASP A 84 -18.462 -18.306 30.716 1.00 2.21 C ATOM 1312 C ASP A 84 -18.162 -19.585 31.523 1.00 4.41 C ATOM 1313 O ASP A 84 -19.010 -20.063 32.280 1.00 4.15 O ATOM 1314 CB ASP A 84 -19.128 -18.653 29.371 1.00 50.24 C ATOM 1315 CG ASP A 84 -18.158 -19.169 28.317 1.00 22.15 C ATOM 1316 OD1 ASP A 84 -17.265 -19.973 28.653 1.00 63.14 O ATOM 1317 OD2 ASP A 84 -18.282 -18.762 27.145 1.00 44.52 O ATOM 0 H ASP A 84 -16.832 -17.590 29.592 1.00 2.33 H new ATOM 0 HA ASP A 84 -19.161 -17.704 31.296 1.00 2.21 H new ATOM 0 HB2 ASP A 84 -19.898 -19.406 29.541 1.00 50.24 H new ATOM 0 HB3 ASP A 84 -19.630 -17.765 28.985 1.00 50.24 H new ATOM 1322 N GLY A 85 -16.956 -20.132 31.361 1.00 54.44 N ATOM 1323 CA GLY A 85 -16.560 -21.324 32.111 1.00 70.13 C ATOM 1324 C GLY A 85 -15.907 -22.403 31.249 1.00 33.15 C ATOM 1325 O GLY A 85 -15.387 -23.393 31.771 1.00 63.12 O ATOM 0 H GLY A 85 -16.244 -19.773 30.725 1.00 54.44 H new ATOM 0 HA2 GLY A 85 -15.866 -21.032 32.900 1.00 70.13 H new ATOM 0 HA3 GLY A 85 -17.439 -21.744 32.599 1.00 70.13 H new ATOM 1329 N SER A 86 -15.932 -22.218 29.930 1.00 4.31 N ATOM 1330 CA SER A 86 -15.355 -23.196 28.992 1.00 4.33 C ATOM 1331 C SER A 86 -13.879 -22.895 28.688 1.00 11.32 C ATOM 1332 O SER A 86 -13.461 -21.737 28.672 1.00 64.40 O ATOM 1333 CB SER A 86 -16.151 -23.209 27.678 1.00 31.04 C ATOM 1334 OG SER A 86 -15.595 -24.128 26.747 1.00 43.33 O ATOM 0 H SER A 86 -16.345 -21.401 29.481 1.00 4.31 H new ATOM 0 HA SER A 86 -15.413 -24.174 29.470 1.00 4.33 H new ATOM 0 HB2 SER A 86 -17.188 -23.476 27.881 1.00 31.04 H new ATOM 0 HB3 SER A 86 -16.159 -22.209 27.245 1.00 31.04 H new ATOM 0 HG SER A 86 -16.122 -24.116 25.921 1.00 43.33 H new ATOM 1340 N GLU A 87 -13.091 -23.944 28.445 1.00 34.43 N ATOM 1341 CA GLU A 87 -11.682 -23.785 28.056 1.00 43.42 C ATOM 1342 C GLU A 87 -11.467 -24.115 26.568 1.00 62.33 C ATOM 1343 O GLU A 87 -11.553 -25.272 26.145 1.00 61.04 O ATOM 1344 CB GLU A 87 -10.755 -24.648 28.932 1.00 71.51 C ATOM 1345 CG GLU A 87 -11.272 -26.056 29.195 1.00 21.11 C ATOM 1346 CD GLU A 87 -10.171 -27.029 29.593 1.00 42.10 C ATOM 1347 OE1 GLU A 87 -9.656 -26.928 30.722 1.00 33.33 O ATOM 1348 OE2 GLU A 87 -9.821 -27.909 28.777 1.00 54.11 O ATOM 0 H GLU A 87 -13.401 -24.914 28.510 1.00 34.43 H new ATOM 0 HA GLU A 87 -11.425 -22.738 28.214 1.00 43.42 H new ATOM 0 HB2 GLU A 87 -9.779 -24.716 28.451 1.00 71.51 H new ATOM 0 HB3 GLU A 87 -10.605 -24.145 29.887 1.00 71.51 H new ATOM 0 HG2 GLU A 87 -12.021 -26.020 29.986 1.00 21.11 H new ATOM 0 HG3 GLU A 87 -11.771 -26.427 28.300 1.00 21.11 H new ATOM 1355 N GLU A 88 -11.197 -23.078 25.791 1.00 53.14 N ATOM 1356 CA GLU A 88 -10.933 -23.192 24.356 1.00 44.52 C ATOM 1357 C GLU A 88 -9.414 -23.271 24.088 1.00 74.43 C ATOM 1358 O GLU A 88 -8.610 -23.087 24.996 1.00 23.21 O ATOM 1359 CB GLU A 88 -11.551 -21.965 23.661 1.00 70.54 C ATOM 1360 CG GLU A 88 -11.290 -21.861 22.164 1.00 51.43 C ATOM 1361 CD GLU A 88 -11.911 -22.988 21.357 1.00 70.41 C ATOM 1362 OE1 GLU A 88 -13.104 -22.897 21.019 1.00 64.10 O ATOM 1363 OE2 GLU A 88 -11.192 -23.949 21.019 1.00 61.22 O ATOM 0 H GLU A 88 -11.153 -22.120 26.138 1.00 53.14 H new ATOM 0 HA GLU A 88 -11.378 -24.105 23.962 1.00 44.52 H new ATOM 0 HB2 GLU A 88 -12.629 -21.981 23.824 1.00 70.54 H new ATOM 0 HB3 GLU A 88 -11.169 -21.065 24.143 1.00 70.54 H new ATOM 0 HG2 GLU A 88 -11.679 -20.909 21.802 1.00 51.43 H new ATOM 0 HG3 GLU A 88 -10.214 -21.852 21.991 1.00 51.43 H new ATOM 1370 N ARG A 89 -9.022 -23.573 22.852 1.00 31.23 N ATOM 1371 CA ARG A 89 -7.608 -23.541 22.451 1.00 50.12 C ATOM 1372 C ARG A 89 -7.451 -23.104 20.983 1.00 24.04 C ATOM 1373 O ARG A 89 -8.419 -23.084 20.220 1.00 73.31 O ATOM 1374 CB ARG A 89 -6.956 -24.917 22.654 1.00 32.14 C ATOM 1375 CG ARG A 89 -7.570 -26.030 21.806 1.00 44.21 C ATOM 1376 CD ARG A 89 -6.793 -27.336 21.935 1.00 53.52 C ATOM 1377 NE ARG A 89 -5.406 -27.199 21.486 1.00 63.23 N ATOM 1378 CZ ARG A 89 -4.625 -28.209 21.202 1.00 20.41 C ATOM 1379 NH1 ARG A 89 -5.058 -29.424 21.297 1.00 44.22 N ATOM 1380 NH2 ARG A 89 -3.409 -28.003 20.812 1.00 53.53 N ATOM 0 H ARG A 89 -9.662 -23.844 22.105 1.00 31.23 H new ATOM 0 HA ARG A 89 -7.105 -22.810 23.084 1.00 50.12 H new ATOM 0 HB2 ARG A 89 -5.894 -24.842 22.421 1.00 32.14 H new ATOM 0 HB3 ARG A 89 -7.033 -25.192 23.706 1.00 32.14 H new ATOM 0 HG2 ARG A 89 -8.604 -26.191 22.111 1.00 44.21 H new ATOM 0 HG3 ARG A 89 -7.590 -25.721 20.761 1.00 44.21 H new ATOM 0 HD2 ARG A 89 -6.806 -27.664 22.974 1.00 53.52 H new ATOM 0 HD3 ARG A 89 -7.288 -28.111 21.350 1.00 53.52 H new ATOM 0 HE ARG A 89 -5.025 -26.258 21.389 1.00 63.23 H new ATOM 0 HH11 ARG A 89 -6.017 -29.602 21.596 1.00 44.22 H new ATOM 0 HH12 ARG A 89 -4.441 -30.204 21.073 1.00 44.22 H new ATOM 0 HH21 ARG A 89 -3.056 -27.050 20.725 1.00 53.53 H new ATOM 0 HH22 ARG A 89 -2.803 -28.794 20.592 1.00 53.53 H new ATOM 1394 N PHE A 90 -6.225 -22.750 20.596 1.00 10.45 N ATOM 1395 CA PHE A 90 -5.932 -22.377 19.205 1.00 73.43 C ATOM 1396 C PHE A 90 -4.473 -22.698 18.833 1.00 4.44 C ATOM 1397 O PHE A 90 -3.560 -22.538 19.645 1.00 44.22 O ATOM 1398 CB PHE A 90 -6.230 -20.885 18.964 1.00 11.24 C ATOM 1399 CG PHE A 90 -5.305 -19.932 19.686 1.00 13.45 C ATOM 1400 CD1 PHE A 90 -5.350 -19.803 21.068 1.00 32.14 C ATOM 1401 CD2 PHE A 90 -4.398 -19.152 18.977 1.00 15.44 C ATOM 1402 CE1 PHE A 90 -4.512 -18.921 21.725 1.00 74.03 C ATOM 1403 CE2 PHE A 90 -3.559 -18.272 19.631 1.00 72.51 C ATOM 1404 CZ PHE A 90 -3.616 -18.154 21.006 1.00 74.43 C ATOM 0 H PHE A 90 -5.419 -22.713 21.221 1.00 10.45 H new ATOM 0 HA PHE A 90 -6.582 -22.970 18.562 1.00 73.43 H new ATOM 0 HB2 PHE A 90 -6.173 -20.685 17.894 1.00 11.24 H new ATOM 0 HB3 PHE A 90 -7.255 -20.679 19.272 1.00 11.24 H new ATOM 0 HD1 PHE A 90 -6.048 -20.399 21.637 1.00 32.14 H new ATOM 0 HD2 PHE A 90 -4.349 -19.236 17.901 1.00 15.44 H new ATOM 0 HE1 PHE A 90 -4.558 -18.832 22.800 1.00 74.03 H new ATOM 0 HE2 PHE A 90 -2.857 -17.675 19.067 1.00 72.51 H new ATOM 0 HZ PHE A 90 -2.962 -17.464 21.518 1.00 74.43 H new ATOM 1414 N SER A 91 -4.262 -23.165 17.606 1.00 51.15 N ATOM 1415 CA SER A 91 -2.914 -23.483 17.120 1.00 52.31 C ATOM 1416 C SER A 91 -2.219 -22.228 16.569 1.00 2.22 C ATOM 1417 O SER A 91 -2.244 -21.969 15.365 1.00 63.53 O ATOM 1418 CB SER A 91 -2.973 -24.569 16.032 1.00 42.54 C ATOM 1419 OG SER A 91 -3.660 -25.727 16.489 1.00 31.14 O ATOM 0 H SER A 91 -5.004 -23.333 16.927 1.00 51.15 H new ATOM 0 HA SER A 91 -2.335 -23.859 17.963 1.00 52.31 H new ATOM 0 HB2 SER A 91 -3.473 -24.173 15.148 1.00 42.54 H new ATOM 0 HB3 SER A 91 -1.961 -24.840 15.731 1.00 42.54 H new ATOM 0 HG SER A 91 -3.682 -26.398 15.775 1.00 31.14 H new ATOM 1425 N TYR A 92 -1.607 -21.445 17.464 1.00 24.45 N ATOM 1426 CA TYR A 92 -0.938 -20.187 17.083 1.00 25.50 C ATOM 1427 C TYR A 92 0.058 -20.393 15.925 1.00 21.41 C ATOM 1428 O TYR A 92 0.072 -19.628 14.961 1.00 3.24 O ATOM 1429 CB TYR A 92 -0.221 -19.573 18.301 1.00 40.12 C ATOM 1430 CG TYR A 92 0.951 -20.396 18.814 1.00 22.33 C ATOM 1431 CD1 TYR A 92 0.747 -21.514 19.616 1.00 13.42 C ATOM 1432 CD2 TYR A 92 2.263 -20.055 18.489 1.00 63.50 C ATOM 1433 CE1 TYR A 92 1.811 -22.270 20.072 1.00 3.50 C ATOM 1434 CE2 TYR A 92 3.329 -20.804 18.943 1.00 50.41 C ATOM 1435 CZ TYR A 92 3.100 -21.910 19.735 1.00 4.44 C ATOM 1436 OH TYR A 92 4.163 -22.662 20.185 1.00 63.51 O ATOM 0 H TYR A 92 -1.559 -21.657 18.461 1.00 24.45 H new ATOM 0 HA TYR A 92 -1.708 -19.499 16.735 1.00 25.50 H new ATOM 0 HB2 TYR A 92 0.137 -18.578 18.035 1.00 40.12 H new ATOM 0 HB3 TYR A 92 -0.943 -19.447 19.108 1.00 40.12 H new ATOM 0 HD1 TYR A 92 -0.260 -21.796 19.887 1.00 13.42 H new ATOM 0 HD2 TYR A 92 2.448 -19.189 17.871 1.00 63.50 H new ATOM 0 HE1 TYR A 92 1.634 -23.138 20.689 1.00 3.50 H new ATOM 0 HE2 TYR A 92 4.339 -20.526 18.679 1.00 50.41 H new ATOM 0 HH TYR A 92 5.001 -22.273 19.857 1.00 63.51 H new ATOM 1446 N LYS A 93 0.854 -21.462 16.002 1.00 51.44 N ATOM 1447 CA LYS A 93 1.893 -21.738 14.995 1.00 5.30 C ATOM 1448 C LYS A 93 1.318 -22.246 13.653 1.00 61.21 C ATOM 1449 O LYS A 93 2.037 -22.826 12.837 1.00 24.34 O ATOM 1450 CB LYS A 93 2.955 -22.712 15.560 1.00 55.51 C ATOM 1451 CG LYS A 93 2.411 -23.884 16.385 1.00 52.21 C ATOM 1452 CD LYS A 93 1.653 -24.909 15.547 1.00 72.04 C ATOM 1453 CE LYS A 93 1.246 -26.126 16.376 1.00 75.14 C ATOM 1454 NZ LYS A 93 2.422 -26.829 16.967 1.00 61.41 N ATOM 0 H LYS A 93 0.802 -22.154 16.750 1.00 51.44 H new ATOM 0 HA LYS A 93 2.376 -20.787 14.772 1.00 5.30 H new ATOM 0 HB2 LYS A 93 3.531 -23.115 14.727 1.00 55.51 H new ATOM 0 HB3 LYS A 93 3.647 -22.144 16.182 1.00 55.51 H new ATOM 0 HG2 LYS A 93 3.240 -24.379 16.891 1.00 52.21 H new ATOM 0 HG3 LYS A 93 1.749 -23.498 17.160 1.00 52.21 H new ATOM 0 HD2 LYS A 93 0.764 -24.445 15.121 1.00 72.04 H new ATOM 0 HD3 LYS A 93 2.276 -25.229 14.712 1.00 72.04 H new ATOM 0 HE2 LYS A 93 0.575 -25.810 17.175 1.00 75.14 H new ATOM 0 HE3 LYS A 93 0.689 -26.821 15.748 1.00 75.14 H new ATOM 0 HZ1 LYS A 93 2.324 -27.854 16.819 1.00 61.41 H new ATOM 0 HZ2 LYS A 93 3.293 -26.494 16.508 1.00 61.41 H new ATOM 0 HZ3 LYS A 93 2.469 -26.630 17.987 1.00 61.41 H new ATOM 1468 N LYS A 94 0.023 -22.016 13.429 1.00 63.53 N ATOM 1469 CA LYS A 94 -0.611 -22.281 12.128 1.00 42.12 C ATOM 1470 C LYS A 94 -1.334 -21.028 11.602 1.00 74.21 C ATOM 1471 O LYS A 94 -2.138 -21.104 10.675 1.00 50.22 O ATOM 1472 CB LYS A 94 -1.609 -23.441 12.238 1.00 53.33 C ATOM 1473 CG LYS A 94 -0.978 -24.775 12.621 1.00 34.41 C ATOM 1474 CD LYS A 94 -2.000 -25.906 12.564 1.00 61.12 C ATOM 1475 CE LYS A 94 -2.544 -26.103 11.153 1.00 5.14 C ATOM 1476 NZ LYS A 94 -3.694 -27.042 11.128 1.00 71.11 N ATOM 0 H LYS A 94 -0.614 -21.645 14.134 1.00 63.53 H new ATOM 0 HA LYS A 94 0.177 -22.553 11.426 1.00 42.12 H new ATOM 0 HB2 LYS A 94 -2.367 -23.184 12.978 1.00 53.33 H new ATOM 0 HB3 LYS A 94 -2.122 -23.556 11.283 1.00 53.33 H new ATOM 0 HG2 LYS A 94 -0.150 -24.995 11.947 1.00 34.41 H new ATOM 0 HG3 LYS A 94 -0.562 -24.708 13.626 1.00 34.41 H new ATOM 0 HD2 LYS A 94 -1.539 -26.831 12.909 1.00 61.12 H new ATOM 0 HD3 LYS A 94 -2.823 -25.688 13.244 1.00 61.12 H new ATOM 0 HE2 LYS A 94 -2.853 -25.140 10.745 1.00 5.14 H new ATOM 0 HE3 LYS A 94 -1.751 -26.483 10.508 1.00 5.14 H new ATOM 0 HZ1 LYS A 94 -4.034 -27.148 10.151 1.00 71.11 H new ATOM 0 HZ2 LYS A 94 -3.394 -27.968 11.493 1.00 71.11 H new ATOM 0 HZ3 LYS A 94 -4.461 -26.668 11.723 1.00 71.11 H new ATOM 1490 N CYS A 95 -1.031 -19.873 12.198 1.00 42.14 N ATOM 1491 CA CYS A 95 -1.671 -18.600 11.820 1.00 61.55 C ATOM 1492 C CYS A 95 -0.851 -17.827 10.773 1.00 60.53 C ATOM 1493 O CYS A 95 -0.921 -16.598 10.701 1.00 5.02 O ATOM 1494 CB CYS A 95 -1.873 -17.724 13.067 1.00 24.43 C ATOM 1495 SG CYS A 95 -2.988 -18.438 14.302 1.00 14.23 S ATOM 0 H CYS A 95 -0.345 -19.788 12.948 1.00 42.14 H new ATOM 0 HA CYS A 95 -2.636 -18.841 11.373 1.00 61.55 H new ATOM 0 HB2 CYS A 95 -0.903 -17.543 13.531 1.00 24.43 H new ATOM 0 HB3 CYS A 95 -2.265 -16.755 12.757 1.00 24.43 H new ATOM 0 HG CYS A 95 -4.187 -17.967 14.128 1.00 14.23 H new ATOM 1501 N VAL A 96 -0.093 -18.549 9.952 1.00 34.11 N ATOM 1502 CA VAL A 96 0.742 -17.922 8.919 1.00 54.12 C ATOM 1503 C VAL A 96 -0.039 -17.725 7.607 1.00 14.12 C ATOM 1504 O VAL A 96 -0.629 -16.669 7.379 1.00 43.14 O ATOM 1505 CB VAL A 96 2.022 -18.759 8.640 1.00 21.52 C ATOM 1506 CG1 VAL A 96 2.910 -18.089 7.588 1.00 22.03 C ATOM 1507 CG2 VAL A 96 2.799 -19.006 9.929 1.00 75.24 C ATOM 0 H VAL A 96 -0.036 -19.567 9.978 1.00 34.11 H new ATOM 0 HA VAL A 96 1.037 -16.945 9.302 1.00 54.12 H new ATOM 0 HB VAL A 96 1.707 -19.723 8.240 1.00 21.52 H new ATOM 0 HG11 VAL A 96 3.796 -18.700 7.417 1.00 22.03 H new ATOM 0 HG12 VAL A 96 2.355 -17.986 6.656 1.00 22.03 H new ATOM 0 HG13 VAL A 96 3.212 -17.103 7.941 1.00 22.03 H new ATOM 0 HG21 VAL A 96 3.691 -19.593 9.710 1.00 75.24 H new ATOM 0 HG22 VAL A 96 3.092 -18.051 10.366 1.00 75.24 H new ATOM 0 HG23 VAL A 96 2.171 -19.550 10.634 1.00 75.24 H new ATOM 1517 N LEU A 97 -0.041 -18.758 6.765 1.00 72.05 N ATOM 1518 CA LEU A 97 -0.716 -18.746 5.458 1.00 75.20 C ATOM 1519 C LEU A 97 -1.017 -20.188 5.035 1.00 54.12 C ATOM 1520 O LEU A 97 -1.035 -21.092 5.874 1.00 71.20 O ATOM 1521 CB LEU A 97 0.174 -18.071 4.387 1.00 71.23 C ATOM 1522 CG LEU A 97 0.295 -16.539 4.472 1.00 74.12 C ATOM 1523 CD1 LEU A 97 1.286 -16.015 3.434 1.00 3.32 C ATOM 1524 CD2 LEU A 97 -1.073 -15.882 4.290 1.00 35.31 C ATOM 0 H LEU A 97 0.430 -19.639 6.969 1.00 72.05 H new ATOM 0 HA LEU A 97 -1.643 -18.179 5.546 1.00 75.20 H new ATOM 0 HB2 LEU A 97 1.175 -18.498 4.454 1.00 71.23 H new ATOM 0 HB3 LEU A 97 -0.218 -18.330 3.403 1.00 71.23 H new ATOM 0 HG LEU A 97 0.672 -16.281 5.462 1.00 74.12 H new ATOM 0 HD11 LEU A 97 1.355 -14.930 3.512 1.00 3.32 H new ATOM 0 HD12 LEU A 97 2.267 -16.455 3.613 1.00 3.32 H new ATOM 0 HD13 LEU A 97 0.944 -16.285 2.435 1.00 3.32 H new ATOM 0 HD21 LEU A 97 -0.968 -14.799 4.353 1.00 35.31 H new ATOM 0 HD22 LEU A 97 -1.479 -16.151 3.315 1.00 35.31 H new ATOM 0 HD23 LEU A 97 -1.749 -16.227 5.072 1.00 35.31 H new ATOM 1536 N GLU A 98 -1.261 -20.408 3.746 1.00 11.50 N ATOM 1537 CA GLU A 98 -1.361 -21.768 3.220 1.00 42.50 C ATOM 1538 C GLU A 98 -0.047 -22.534 3.458 1.00 2.34 C ATOM 1539 O GLU A 98 1.015 -22.154 2.949 1.00 54.23 O ATOM 1540 CB GLU A 98 -1.701 -21.751 1.720 1.00 32.42 C ATOM 1541 CG GLU A 98 -0.708 -20.971 0.863 1.00 21.45 C ATOM 1542 CD GLU A 98 -1.003 -21.085 -0.623 1.00 53.03 C ATOM 1543 OE1 GLU A 98 -2.060 -20.587 -1.059 1.00 11.44 O ATOM 1544 OE2 GLU A 98 -0.178 -21.664 -1.365 1.00 2.13 O ATOM 0 H GLU A 98 -1.392 -19.672 3.052 1.00 11.50 H new ATOM 0 HA GLU A 98 -2.166 -22.278 3.749 1.00 42.50 H new ATOM 0 HB2 GLU A 98 -1.748 -22.778 1.358 1.00 32.42 H new ATOM 0 HB3 GLU A 98 -2.694 -21.321 1.589 1.00 32.42 H new ATOM 0 HG2 GLU A 98 -0.729 -19.921 1.154 1.00 21.45 H new ATOM 0 HG3 GLU A 98 0.300 -21.336 1.059 1.00 21.45 H new ATOM 1551 N HIS A 99 -0.111 -23.591 4.260 1.00 11.11 N ATOM 1552 CA HIS A 99 1.055 -24.446 4.498 1.00 12.32 C ATOM 1553 C HIS A 99 1.265 -25.363 3.282 1.00 32.03 C ATOM 1554 O HIS A 99 1.120 -26.582 3.363 1.00 3.13 O ATOM 1555 CB HIS A 99 0.858 -25.256 5.791 1.00 41.44 C ATOM 1556 CG HIS A 99 2.095 -25.946 6.280 1.00 62.43 C ATOM 1557 ND1 HIS A 99 2.172 -27.307 6.480 1.00 34.13 N ATOM 1558 CD2 HIS A 99 3.300 -25.449 6.647 1.00 31.43 C ATOM 1559 CE1 HIS A 99 3.363 -27.615 6.948 1.00 3.43 C ATOM 1560 NE2 HIS A 99 4.069 -26.510 7.061 1.00 71.55 N ATOM 0 H HIS A 99 -0.954 -23.879 4.757 1.00 11.11 H new ATOM 0 HA HIS A 99 1.948 -23.834 4.626 1.00 12.32 H new ATOM 0 HB2 HIS A 99 0.495 -24.588 6.573 1.00 41.44 H new ATOM 0 HB3 HIS A 99 0.082 -26.002 5.624 1.00 41.44 H new ATOM 0 HD2 HIS A 99 3.601 -24.412 6.619 1.00 31.43 H new ATOM 0 HE1 HIS A 99 3.704 -28.609 7.198 1.00 3.43 H new ATOM 0 HE2 HIS A 99 5.029 -26.451 7.400 1.00 71.55 H new ATOM 1569 N HIS A 100 1.612 -24.744 2.156 1.00 70.51 N ATOM 1570 CA HIS A 100 1.581 -25.404 0.849 1.00 42.22 C ATOM 1571 C HIS A 100 2.721 -26.423 0.674 1.00 12.45 C ATOM 1572 O HIS A 100 3.903 -26.088 0.794 1.00 45.04 O ATOM 1573 CB HIS A 100 1.640 -24.339 -0.254 1.00 73.20 C ATOM 1574 CG HIS A 100 1.346 -24.865 -1.624 1.00 64.21 C ATOM 1575 ND1 HIS A 100 2.266 -24.862 -2.651 1.00 71.44 N ATOM 1576 CD2 HIS A 100 0.216 -25.404 -2.140 1.00 43.13 C ATOM 1577 CE1 HIS A 100 1.717 -25.374 -3.733 1.00 51.21 C ATOM 1578 NE2 HIS A 100 0.478 -25.712 -3.451 1.00 41.23 N ATOM 0 H HIS A 100 1.922 -23.773 2.122 1.00 70.51 H new ATOM 0 HA HIS A 100 0.649 -25.966 0.779 1.00 42.22 H new ATOM 0 HB2 HIS A 100 0.928 -23.548 -0.019 1.00 73.20 H new ATOM 0 HB3 HIS A 100 2.631 -23.886 -0.255 1.00 73.20 H new ATOM 0 HD2 HIS A 100 -0.716 -25.562 -1.618 1.00 43.13 H new ATOM 0 HE1 HIS A 100 2.202 -25.496 -4.690 1.00 51.21 H new ATOM 0 HE2 HIS A 100 -0.183 -26.135 -4.103 1.00 41.23 H new ATOM 1587 N HIS A 101 2.350 -27.664 0.361 1.00 53.41 N ATOM 1588 CA HIS A 101 3.319 -28.753 0.171 1.00 53.12 C ATOM 1589 C HIS A 101 2.896 -29.681 -0.983 1.00 52.23 C ATOM 1590 O HIS A 101 1.707 -29.924 -1.187 1.00 63.31 O ATOM 1591 CB HIS A 101 3.464 -29.558 1.472 1.00 20.52 C ATOM 1592 CG HIS A 101 2.168 -30.121 1.989 1.00 21.33 C ATOM 1593 ND1 HIS A 101 1.207 -29.567 2.766 1.00 73.11 N flip ATOM 1594 CD2 HIS A 101 1.739 -31.405 1.723 1.00 32.53 C flip ATOM 1595 CE1 HIS A 101 0.232 -30.514 2.951 1.00 20.24 C flip ATOM 1596 NE2 HIS A 101 0.577 -31.612 2.310 1.00 60.10 N flip ATOM 0 H HIS A 101 1.378 -27.946 0.232 1.00 53.41 H new ATOM 0 HA HIS A 101 4.281 -28.311 -0.089 1.00 53.12 H new ATOM 0 HB2 HIS A 101 4.163 -30.377 1.305 1.00 20.52 H new ATOM 0 HB3 HIS A 101 3.901 -28.917 2.237 1.00 20.52 H new ATOM 0 HD1 HIS A 101 1.208 -28.620 3.144 1.00 73.11 H new ATOM 0 HD2 HIS A 101 2.273 -32.129 1.126 1.00 32.53 H new ATOM 0 HE1 HIS A 101 -0.671 -30.381 3.528 1.00 20.24 H new ATOM 1605 N HIS A 102 3.874 -30.198 -1.730 1.00 71.14 N ATOM 1606 CA HIS A 102 3.601 -31.115 -2.849 1.00 72.14 C ATOM 1607 C HIS A 102 2.869 -32.381 -2.381 1.00 61.42 C ATOM 1608 O HIS A 102 3.384 -33.142 -1.560 1.00 20.22 O ATOM 1609 CB HIS A 102 4.910 -31.508 -3.552 1.00 12.33 C ATOM 1610 CG HIS A 102 5.470 -30.443 -4.443 1.00 11.33 C ATOM 1611 ND1 HIS A 102 6.575 -29.687 -4.118 1.00 24.32 N ATOM 1612 CD2 HIS A 102 5.084 -30.026 -5.673 1.00 71.03 C ATOM 1613 CE1 HIS A 102 6.843 -28.856 -5.103 1.00 1.44 C ATOM 1614 NE2 HIS A 102 5.957 -29.040 -6.059 1.00 55.12 N ATOM 0 H HIS A 102 4.864 -30.000 -1.584 1.00 71.14 H new ATOM 0 HA HIS A 102 2.954 -30.587 -3.550 1.00 72.14 H new ATOM 0 HB2 HIS A 102 5.653 -31.762 -2.796 1.00 12.33 H new ATOM 0 HB3 HIS A 102 4.736 -32.407 -4.143 1.00 12.33 H new ATOM 0 HD2 HIS A 102 4.246 -30.400 -6.243 1.00 71.03 H new ATOM 0 HE1 HIS A 102 7.654 -28.143 -5.123 1.00 1.44 H new ATOM 0 HE2 HIS A 102 5.925 -28.532 -6.943 1.00 55.12 H new ATOM 1623 N HIS A 103 1.669 -32.604 -2.907 1.00 61.12 N ATOM 1624 CA HIS A 103 0.888 -33.791 -2.558 1.00 55.04 C ATOM 1625 C HIS A 103 1.347 -35.012 -3.372 1.00 24.21 C ATOM 1626 O HIS A 103 1.662 -34.899 -4.558 1.00 45.44 O ATOM 1627 CB HIS A 103 -0.607 -33.536 -2.798 1.00 65.11 C ATOM 1628 CG HIS A 103 -1.485 -34.671 -2.360 1.00 53.34 C ATOM 1629 ND1 HIS A 103 -1.706 -35.793 -3.131 1.00 64.33 N ATOM 1630 CD2 HIS A 103 -2.179 -34.868 -1.214 1.00 22.13 C ATOM 1631 CE1 HIS A 103 -2.492 -36.625 -2.481 1.00 2.54 C ATOM 1632 NE2 HIS A 103 -2.792 -36.091 -1.318 1.00 41.43 N ATOM 0 H HIS A 103 1.215 -31.981 -3.575 1.00 61.12 H new ATOM 0 HA HIS A 103 1.050 -34.001 -1.501 1.00 55.04 H new ATOM 0 HB2 HIS A 103 -0.903 -32.632 -2.266 1.00 65.11 H new ATOM 0 HB3 HIS A 103 -0.770 -33.350 -3.860 1.00 65.11 H new ATOM 0 HD2 HIS A 103 -2.239 -34.190 -0.376 1.00 22.13 H new ATOM 0 HE1 HIS A 103 -2.833 -37.584 -2.842 1.00 2.54 H new ATOM 0 HE2 HIS A 103 -3.386 -36.518 -0.607 1.00 41.43 H new ATOM 1641 N HIS A 104 1.390 -36.174 -2.727 1.00 1.44 N ATOM 1642 CA HIS A 104 1.718 -37.431 -3.413 1.00 55.31 C ATOM 1643 C HIS A 104 0.430 -38.180 -3.821 1.00 1.42 C ATOM 1644 O HIS A 104 -0.040 -39.039 -3.042 1.00 39.39 O ATOM 1645 CB HIS A 104 2.600 -38.310 -2.509 1.00 30.40 C ATOM 1646 CG HIS A 104 3.041 -39.593 -3.154 1.00 70.02 C ATOM 1647 ND1 HIS A 104 2.252 -40.720 -3.199 1.00 24.51 N ATOM 1648 CD2 HIS A 104 4.191 -39.923 -3.787 1.00 52.14 C ATOM 1649 CE1 HIS A 104 2.892 -41.682 -3.826 1.00 4.42 C ATOM 1650 NE2 HIS A 104 4.069 -41.225 -4.194 1.00 3.05 N ATOM 1651 OXT HIS A 104 -0.116 -37.887 -4.911 1.00 39.39 O ATOM 0 H HIS A 104 1.203 -36.277 -1.730 1.00 1.44 H new ATOM 0 HA HIS A 104 2.274 -37.201 -4.322 1.00 55.31 H new ATOM 0 HB2 HIS A 104 3.482 -37.741 -2.214 1.00 30.40 H new ATOM 0 HB3 HIS A 104 2.051 -38.543 -1.597 1.00 30.40 H new ATOM 0 HD1 HIS A 104 1.314 -40.797 -2.806 1.00 24.51 H new ATOM 0 HD2 HIS A 104 5.045 -39.280 -3.942 1.00 52.14 H new ATOM 0 HE1 HIS A 104 2.515 -42.678 -4.008 1.00 4.42 H new TER 1660 HIS A 104