USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 978 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 41 MET CE :methyl -156:sc= -0.292 (180deg=-0.985) USER MOD Set 1.2: A 43 MET CE :methyl -121:sc= 0 (180deg=-0.104) USER MOD Set 2.1: A 30 SER OG : rot -67:sc= 0.882 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 132:sc= -0.188 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 5 SER OG : rot 159:sc= 0.00398 USER MOD Single : A 8 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.35) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.28 (180deg=0.793) USER MOD Single : A 12 SER OG : rot 77:sc= 0.609 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 20:sc= 0.948 USER MOD Single : A 33 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.4!) USER MOD Single : A 36 HIS : no HE2:sc= -0.735 K(o=-0.72,f=-6.4!) USER MOD Single : A 38 MET CE :methyl -164:sc= -0.0627 (180deg=-0.504) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc=-0.00184 (180deg=-0.06) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 73:sc= 0.276 USER MOD Single : A 65 TYR OH : rot 96:sc= 1.72 USER MOD Single : A 71 GLN : amide:sc= -1.4! C(o=-1.4!,f=-5.4!) USER MOD Single : A 72 THR OG1 : rot 77:sc= 1.91 USER MOD Single : A 73 SER OG : rot 69:sc= 0.52 USER MOD Single : A 74 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-1.5) USER MOD Single : A 88 SER OG : rot 105:sc= 0.589 USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0.905 (180deg=0.862) USER MOD Single : A 98 LYS NZ :NH3+ -145:sc= 0.613 (180deg=-0.294!) USER MOD Single : A 104 THR OG1 : rot 155:sc= 0.174 USER MOD Single : A 110 SER OG : rot 160:sc= -0.0249 USER MOD Single : A 112 THR OG1 : rot 38:sc= 0.289 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.5!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.094) USER MOD Single : A 128 HIS : no HD1:sc= -0.086 X(o=-0.086,f=-0.086) USER MOD Single : A 129 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.27) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 132 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.229 -1.041 14.977 1.00 53.11 N ATOM 2 CA MET A 1 -2.552 -0.625 13.716 1.00 71.12 C ATOM 3 C MET A 1 -1.047 -0.422 13.946 1.00 70.34 C ATOM 4 O MET A 1 -0.640 0.250 14.895 1.00 53.21 O ATOM 5 CB MET A 1 -3.183 0.668 13.186 1.00 54.05 C ATOM 6 CG MET A 1 -2.738 1.044 11.781 1.00 21.11 C ATOM 7 SD MET A 1 -3.055 -0.272 10.587 1.00 31.10 S ATOM 8 CE MET A 1 -2.807 0.600 9.041 1.00 53.25 C ATOM 0 H1 MET A 1 -4.245 -1.173 14.798 1.00 53.11 H new ATOM 0 H2 MET A 1 -2.818 -1.935 15.313 1.00 53.11 H new ATOM 0 H3 MET A 1 -3.097 -0.306 15.701 1.00 53.11 H new ATOM 0 HA MET A 1 -2.682 -1.416 12.977 1.00 71.12 H new ATOM 0 HB2 MET A 1 -4.268 0.561 13.196 1.00 54.05 H new ATOM 0 HB3 MET A 1 -2.937 1.485 13.865 1.00 54.05 H new ATOM 0 HG2 MET A 1 -3.258 1.949 11.467 1.00 21.11 H new ATOM 0 HG3 MET A 1 -1.673 1.275 11.789 1.00 21.11 H new ATOM 0 HE1 MET A 1 -2.159 0.012 8.392 1.00 53.25 H new ATOM 0 HE2 MET A 1 -3.769 0.753 8.551 1.00 53.25 H new ATOM 0 HE3 MET A 1 -2.343 1.566 9.239 1.00 53.25 H new ATOM 20 N GLU A 2 -0.222 -1.014 13.082 1.00 44.13 N ATOM 21 CA GLU A 2 1.237 -0.932 13.222 1.00 12.42 C ATOM 22 C GLU A 2 1.822 0.287 12.500 1.00 2.34 C ATOM 23 O GLU A 2 1.283 0.745 11.499 1.00 51.24 O ATOM 24 CB GLU A 2 1.899 -2.201 12.661 1.00 1.30 C ATOM 25 CG GLU A 2 1.581 -3.468 13.441 1.00 42.50 C ATOM 26 CD GLU A 2 2.116 -3.424 14.861 1.00 71.32 C ATOM 27 OE1 GLU A 2 3.331 -3.648 15.050 1.00 75.24 O ATOM 28 OE2 GLU A 2 1.327 -3.147 15.790 1.00 21.13 O ATOM 0 H GLU A 2 -0.536 -1.556 12.277 1.00 44.13 H new ATOM 0 HA GLU A 2 1.445 -0.834 14.287 1.00 12.42 H new ATOM 0 HB2 GLU A 2 1.582 -2.335 11.627 1.00 1.30 H new ATOM 0 HB3 GLU A 2 2.979 -2.058 12.647 1.00 1.30 H new ATOM 0 HG2 GLU A 2 0.501 -3.614 13.467 1.00 42.50 H new ATOM 0 HG3 GLU A 2 2.006 -4.327 12.922 1.00 42.50 H new ATOM 35 N PRO A 3 2.948 0.819 13.003 1.00 40.31 N ATOM 36 CA PRO A 3 3.737 1.828 12.278 1.00 73.44 C ATOM 37 C PRO A 3 4.374 1.217 11.021 1.00 31.13 C ATOM 38 O PRO A 3 4.436 1.844 9.960 1.00 41.25 O ATOM 39 CB PRO A 3 4.815 2.241 13.294 1.00 32.42 C ATOM 40 CG PRO A 3 4.908 1.092 14.247 1.00 44.20 C ATOM 41 CD PRO A 3 3.529 0.489 14.315 1.00 42.32 C ATOM 0 HA PRO A 3 3.138 2.670 11.932 1.00 73.44 H new ATOM 0 HB2 PRO A 3 5.771 2.425 12.803 1.00 32.42 H new ATOM 0 HB3 PRO A 3 4.540 3.161 13.810 1.00 32.42 H new ATOM 0 HG2 PRO A 3 5.637 0.359 13.902 1.00 44.20 H new ATOM 0 HG3 PRO A 3 5.235 1.428 15.231 1.00 44.20 H new ATOM 0 HD2 PRO A 3 3.569 -0.588 14.477 1.00 42.32 H new ATOM 0 HD3 PRO A 3 2.945 0.913 15.132 1.00 42.32 H new ATOM 49 N GLN A 4 4.840 -0.025 11.168 1.00 11.21 N ATOM 50 CA GLN A 4 5.403 -0.808 10.065 1.00 24.43 C ATOM 51 C GLN A 4 4.776 -2.213 10.050 1.00 62.21 C ATOM 52 O GLN A 4 5.036 -3.025 10.941 1.00 41.54 O ATOM 53 CB GLN A 4 6.929 -0.921 10.214 1.00 53.00 C ATOM 54 CG GLN A 4 7.658 0.419 10.250 1.00 43.41 C ATOM 55 CD GLN A 4 9.167 0.269 10.370 1.00 53.11 C ATOM 56 OE1 GLN A 4 9.619 -0.763 11.053 1.00 12.23 O flip ATOM 57 NE2 GLN A 4 9.927 1.083 9.862 1.00 31.24 N flip ATOM 0 H GLN A 4 4.838 -0.519 12.060 1.00 11.21 H new ATOM 0 HA GLN A 4 5.178 -0.302 9.126 1.00 24.43 H new ATOM 0 HB2 GLN A 4 7.153 -1.468 11.130 1.00 53.00 H new ATOM 0 HB3 GLN A 4 7.320 -1.512 9.386 1.00 53.00 H new ATOM 0 HG2 GLN A 4 7.424 0.978 9.344 1.00 43.41 H new ATOM 0 HG3 GLN A 4 7.288 1.006 11.091 1.00 43.41 H new ATOM 0 HE21 GLN A 4 9.552 1.873 9.338 1.00 31.24 H new ATOM 0 HE22 GLN A 4 10.936 0.971 9.963 1.00 31.24 H new ATOM 66 N SER A 5 3.945 -2.495 9.051 1.00 62.33 N ATOM 67 CA SER A 5 3.219 -3.775 8.986 1.00 55.33 C ATOM 68 C SER A 5 3.978 -4.824 8.167 1.00 2.34 C ATOM 69 O SER A 5 4.645 -4.499 7.188 1.00 12.45 O ATOM 70 CB SER A 5 1.829 -3.571 8.373 1.00 60.24 C ATOM 71 OG SER A 5 1.114 -4.797 8.298 1.00 53.42 O ATOM 0 H SER A 5 3.753 -1.862 8.275 1.00 62.33 H new ATOM 0 HA SER A 5 3.125 -4.140 10.009 1.00 55.33 H new ATOM 0 HB2 SER A 5 1.266 -2.855 8.972 1.00 60.24 H new ATOM 0 HB3 SER A 5 1.928 -3.143 7.375 1.00 60.24 H new ATOM 0 HG SER A 5 0.154 -4.612 8.234 1.00 53.42 H new ATOM 77 N ASP A 6 3.874 -6.086 8.576 1.00 44.53 N ATOM 78 CA ASP A 6 4.457 -7.195 7.816 1.00 50.24 C ATOM 79 C ASP A 6 3.527 -7.622 6.674 1.00 13.20 C ATOM 80 O ASP A 6 2.299 -7.572 6.804 1.00 2.23 O ATOM 81 CB ASP A 6 4.717 -8.399 8.725 1.00 52.14 C ATOM 82 CG ASP A 6 5.733 -8.103 9.806 1.00 3.04 C ATOM 83 OD1 ASP A 6 5.348 -7.563 10.860 1.00 41.22 O ATOM 84 OD2 ASP A 6 6.924 -8.401 9.602 1.00 41.15 O ATOM 0 H ASP A 6 3.392 -6.369 9.429 1.00 44.53 H new ATOM 0 HA ASP A 6 5.402 -6.846 7.400 1.00 50.24 H new ATOM 0 HB2 ASP A 6 3.780 -8.710 9.187 1.00 52.14 H new ATOM 0 HB3 ASP A 6 5.068 -9.236 8.121 1.00 52.14 H new ATOM 89 N ALA A 7 4.116 -8.062 5.566 1.00 44.41 N ATOM 90 CA ALA A 7 3.345 -8.536 4.413 1.00 51.01 C ATOM 91 C ALA A 7 2.285 -9.581 4.815 1.00 31.41 C ATOM 92 O ALA A 7 1.118 -9.475 4.437 1.00 54.22 O ATOM 93 CB ALA A 7 4.287 -9.108 3.357 1.00 3.21 C ATOM 0 H ALA A 7 5.127 -8.102 5.439 1.00 44.41 H new ATOM 0 HA ALA A 7 2.811 -7.682 3.997 1.00 51.01 H new ATOM 0 HB1 ALA A 7 3.707 -9.458 2.503 1.00 3.21 H new ATOM 0 HB2 ALA A 7 4.981 -8.334 3.031 1.00 3.21 H new ATOM 0 HB3 ALA A 7 4.847 -9.941 3.782 1.00 3.21 H new ATOM 99 N HIS A 8 2.692 -10.590 5.594 1.00 44.11 N ATOM 100 CA HIS A 8 1.766 -11.658 6.021 1.00 34.43 C ATOM 101 C HIS A 8 0.694 -11.165 7.012 1.00 32.23 C ATOM 102 O HIS A 8 -0.380 -11.752 7.098 1.00 53.33 O ATOM 103 CB HIS A 8 2.519 -12.878 6.585 1.00 41.41 C ATOM 104 CG HIS A 8 3.691 -12.546 7.452 1.00 23.54 C ATOM 105 ND1 HIS A 8 4.971 -12.955 7.158 1.00 24.35 N ATOM 106 CD2 HIS A 8 3.780 -11.855 8.611 1.00 2.42 C ATOM 107 CE1 HIS A 8 5.793 -12.533 8.086 1.00 70.20 C ATOM 108 NE2 HIS A 8 5.100 -11.861 8.982 1.00 41.40 N ATOM 0 H HIS A 8 3.645 -10.694 5.941 1.00 44.11 H new ATOM 0 HA HIS A 8 1.240 -11.973 5.120 1.00 34.43 H new ATOM 0 HB2 HIS A 8 1.820 -13.485 7.160 1.00 41.41 H new ATOM 0 HB3 HIS A 8 2.863 -13.492 5.752 1.00 41.41 H new ATOM 0 HD2 HIS A 8 2.965 -11.387 9.144 1.00 2.42 H new ATOM 0 HE1 HIS A 8 6.859 -12.707 8.112 1.00 70.20 H new ATOM 0 HE2 HIS A 8 5.483 -11.417 9.817 1.00 41.40 H new ATOM 117 N VAL A 9 0.981 -10.099 7.764 1.00 65.51 N ATOM 118 CA VAL A 9 -0.038 -9.498 8.640 1.00 55.34 C ATOM 119 C VAL A 9 -1.221 -8.988 7.807 1.00 33.23 C ATOM 120 O VAL A 9 -2.382 -9.295 8.085 1.00 54.14 O ATOM 121 CB VAL A 9 0.542 -8.334 9.487 1.00 72.12 C ATOM 122 CG1 VAL A 9 -0.561 -7.621 10.273 1.00 4.23 C ATOM 123 CG2 VAL A 9 1.629 -8.852 10.429 1.00 4.22 C ATOM 0 H VAL A 9 1.891 -9.639 7.788 1.00 65.51 H new ATOM 0 HA VAL A 9 -0.378 -10.276 9.324 1.00 55.34 H new ATOM 0 HB VAL A 9 0.988 -7.608 8.807 1.00 72.12 H new ATOM 0 HG11 VAL A 9 -0.126 -6.810 10.857 1.00 4.23 H new ATOM 0 HG12 VAL A 9 -1.297 -7.214 9.580 1.00 4.23 H new ATOM 0 HG13 VAL A 9 -1.047 -8.330 10.943 1.00 4.23 H new ATOM 0 HG21 VAL A 9 2.026 -8.024 11.016 1.00 4.22 H new ATOM 0 HG22 VAL A 9 1.204 -9.601 11.098 1.00 4.22 H new ATOM 0 HG23 VAL A 9 2.433 -9.301 9.845 1.00 4.22 H new ATOM 133 N LEU A 10 -0.907 -8.222 6.767 1.00 51.24 N ATOM 134 CA LEU A 10 -1.916 -7.750 5.815 1.00 61.34 C ATOM 135 C LEU A 10 -2.530 -8.927 5.033 1.00 53.22 C ATOM 136 O LEU A 10 -3.745 -8.997 4.843 1.00 63.52 O ATOM 137 CB LEU A 10 -1.282 -6.734 4.851 1.00 10.20 C ATOM 138 CG LEU A 10 -2.190 -6.220 3.719 1.00 61.15 C ATOM 139 CD1 LEU A 10 -3.439 -5.544 4.280 1.00 75.24 C ATOM 140 CD2 LEU A 10 -1.416 -5.266 2.808 1.00 44.34 C ATOM 0 H LEU A 10 0.042 -7.912 6.558 1.00 51.24 H new ATOM 0 HA LEU A 10 -2.719 -7.264 6.369 1.00 61.34 H new ATOM 0 HB2 LEU A 10 -0.939 -5.878 5.431 1.00 10.20 H new ATOM 0 HB3 LEU A 10 -0.399 -7.190 4.403 1.00 10.20 H new ATOM 0 HG LEU A 10 -2.515 -7.076 3.127 1.00 61.15 H new ATOM 0 HD11 LEU A 10 -4.062 -5.191 3.458 1.00 75.24 H new ATOM 0 HD12 LEU A 10 -4.001 -6.259 4.880 1.00 75.24 H new ATOM 0 HD13 LEU A 10 -3.147 -4.699 4.903 1.00 75.24 H new ATOM 0 HD21 LEU A 10 -2.071 -4.911 2.012 1.00 44.34 H new ATOM 0 HD22 LEU A 10 -1.059 -4.417 3.390 1.00 44.34 H new ATOM 0 HD23 LEU A 10 -0.566 -5.790 2.371 1.00 44.34 H new ATOM 152 N LYS A 11 -1.679 -9.861 4.601 1.00 33.13 N ATOM 153 CA LYS A 11 -2.125 -11.041 3.844 1.00 43.30 C ATOM 154 C LYS A 11 -3.169 -11.862 4.623 1.00 24.21 C ATOM 155 O LYS A 11 -4.233 -12.190 4.098 1.00 51.12 O ATOM 156 CB LYS A 11 -0.919 -11.924 3.483 1.00 64.30 C ATOM 157 CG LYS A 11 -1.258 -13.094 2.565 1.00 23.23 C ATOM 158 CD LYS A 11 -0.092 -14.075 2.426 1.00 74.22 C ATOM 159 CE LYS A 11 -0.552 -15.397 1.820 1.00 31.14 C ATOM 160 NZ LYS A 11 0.465 -16.474 1.958 1.00 51.33 N ATOM 0 H LYS A 11 -0.672 -9.825 4.762 1.00 33.13 H new ATOM 0 HA LYS A 11 -2.601 -10.686 2.930 1.00 43.30 H new ATOM 0 HB2 LYS A 11 -0.161 -11.306 3.002 1.00 64.30 H new ATOM 0 HB3 LYS A 11 -0.478 -12.312 4.401 1.00 64.30 H new ATOM 0 HG2 LYS A 11 -2.129 -13.620 2.956 1.00 23.23 H new ATOM 0 HG3 LYS A 11 -1.531 -12.714 1.580 1.00 23.23 H new ATOM 0 HD2 LYS A 11 0.684 -13.635 1.799 1.00 74.22 H new ATOM 0 HD3 LYS A 11 0.353 -14.256 3.404 1.00 74.22 H new ATOM 0 HE2 LYS A 11 -1.477 -15.712 2.303 1.00 31.14 H new ATOM 0 HE3 LYS A 11 -0.778 -15.249 0.764 1.00 31.14 H new ATOM 0 HZ1 LYS A 11 0.368 -17.146 1.171 1.00 51.33 H new ATOM 0 HZ2 LYS A 11 1.417 -16.056 1.941 1.00 51.33 H new ATOM 0 HZ3 LYS A 11 0.322 -16.973 2.859 1.00 51.33 H new ATOM 174 N SER A 12 -2.867 -12.177 5.882 1.00 35.32 N ATOM 175 CA SER A 12 -3.782 -12.962 6.721 1.00 14.13 C ATOM 176 C SER A 12 -5.073 -12.187 6.995 1.00 55.20 C ATOM 177 O SER A 12 -6.142 -12.775 7.107 1.00 20.13 O ATOM 178 CB SER A 12 -3.113 -13.351 8.048 1.00 70.55 C ATOM 179 OG SER A 12 -1.924 -14.095 7.824 1.00 54.44 O ATOM 0 H SER A 12 -2.000 -11.904 6.345 1.00 35.32 H new ATOM 0 HA SER A 12 -4.030 -13.873 6.176 1.00 14.13 H new ATOM 0 HB2 SER A 12 -2.881 -12.452 8.619 1.00 70.55 H new ATOM 0 HB3 SER A 12 -3.806 -13.940 8.649 1.00 70.55 H new ATOM 0 HG SER A 12 -1.206 -13.488 7.548 1.00 54.44 H new ATOM 185 N ARG A 13 -4.975 -10.863 7.087 1.00 14.22 N ATOM 186 CA ARG A 13 -6.163 -10.019 7.256 1.00 54.24 C ATOM 187 C ARG A 13 -7.027 -10.007 5.986 1.00 63.41 C ATOM 188 O ARG A 13 -8.246 -9.841 6.055 1.00 75.52 O ATOM 189 CB ARG A 13 -5.758 -8.588 7.636 1.00 64.20 C ATOM 190 CG ARG A 13 -5.188 -8.468 9.047 1.00 52.21 C ATOM 191 CD ARG A 13 -4.818 -7.024 9.403 1.00 21.34 C ATOM 192 NE ARG A 13 -5.406 -6.600 10.675 1.00 25.14 N ATOM 193 CZ ARG A 13 -4.891 -6.853 11.850 1.00 23.31 C ATOM 194 NH1 ARG A 13 -3.804 -7.547 11.967 1.00 73.15 N ATOM 195 NH2 ARG A 13 -5.477 -6.417 12.914 1.00 33.34 N ATOM 0 H ARG A 13 -4.094 -10.351 7.048 1.00 14.22 H new ATOM 0 HA ARG A 13 -6.758 -10.444 8.064 1.00 54.24 H new ATOM 0 HB2 ARG A 13 -5.017 -8.227 6.922 1.00 64.20 H new ATOM 0 HB3 ARG A 13 -6.628 -7.938 7.548 1.00 64.20 H new ATOM 0 HG2 ARG A 13 -5.919 -8.841 9.765 1.00 52.21 H new ATOM 0 HG3 ARG A 13 -4.304 -9.100 9.134 1.00 52.21 H new ATOM 0 HD2 ARG A 13 -3.733 -6.932 9.457 1.00 21.34 H new ATOM 0 HD3 ARG A 13 -5.155 -6.358 8.609 1.00 21.34 H new ATOM 0 HE ARG A 13 -6.277 -6.071 10.642 1.00 25.14 H new ATOM 0 HH11 ARG A 13 -3.336 -7.906 11.135 1.00 73.15 H new ATOM 0 HH12 ARG A 13 -3.416 -7.735 12.891 1.00 73.15 H new ATOM 0 HH21 ARG A 13 -6.339 -5.877 12.837 1.00 33.34 H new ATOM 0 HH22 ARG A 13 -5.078 -6.612 13.832 1.00 33.34 H new ATOM 209 N LEU A 14 -6.391 -10.187 4.832 1.00 34.10 N ATOM 210 CA LEU A 14 -7.084 -10.212 3.551 1.00 74.22 C ATOM 211 C LEU A 14 -7.800 -11.558 3.322 1.00 23.11 C ATOM 212 O LEU A 14 -8.946 -11.600 2.868 1.00 4.33 O ATOM 213 CB LEU A 14 -6.070 -9.943 2.433 1.00 22.20 C ATOM 214 CG LEU A 14 -6.644 -9.968 1.016 1.00 5.13 C ATOM 215 CD1 LEU A 14 -7.616 -8.807 0.794 1.00 32.32 C ATOM 216 CD2 LEU A 14 -5.527 -9.959 -0.029 1.00 32.02 C ATOM 0 H LEU A 14 -5.382 -10.319 4.760 1.00 34.10 H new ATOM 0 HA LEU A 14 -7.850 -9.437 3.549 1.00 74.22 H new ATOM 0 HB2 LEU A 14 -5.612 -8.969 2.606 1.00 22.20 H new ATOM 0 HB3 LEU A 14 -5.274 -10.685 2.499 1.00 22.20 H new ATOM 0 HG LEU A 14 -7.203 -10.896 0.899 1.00 5.13 H new ATOM 0 HD11 LEU A 14 -8.008 -8.850 -0.222 1.00 32.32 H new ATOM 0 HD12 LEU A 14 -8.439 -8.881 1.504 1.00 32.32 H new ATOM 0 HD13 LEU A 14 -7.093 -7.862 0.941 1.00 32.32 H new ATOM 0 HD21 LEU A 14 -5.963 -9.977 -1.028 1.00 32.02 H new ATOM 0 HD22 LEU A 14 -4.926 -9.057 0.088 1.00 32.02 H new ATOM 0 HD23 LEU A 14 -4.895 -10.836 0.107 1.00 32.02 H new ATOM 228 N GLU A 15 -7.115 -12.655 3.637 1.00 72.21 N ATOM 229 CA GLU A 15 -7.675 -14.003 3.457 1.00 74.20 C ATOM 230 C GLU A 15 -8.525 -14.439 4.664 1.00 64.21 C ATOM 231 O GLU A 15 -9.654 -14.907 4.513 1.00 63.45 O ATOM 232 CB GLU A 15 -6.542 -15.020 3.265 1.00 50.24 C ATOM 233 CG GLU A 15 -5.541 -14.659 2.178 1.00 43.42 C ATOM 234 CD GLU A 15 -4.394 -15.652 2.109 1.00 42.45 C ATOM 235 OE1 GLU A 15 -3.499 -15.592 2.977 1.00 10.42 O ATOM 236 OE2 GLU A 15 -4.391 -16.512 1.201 1.00 34.24 O ATOM 0 H GLU A 15 -6.169 -12.642 4.019 1.00 72.21 H new ATOM 0 HA GLU A 15 -8.315 -13.970 2.575 1.00 74.20 H new ATOM 0 HB2 GLU A 15 -6.008 -15.131 4.209 1.00 50.24 H new ATOM 0 HB3 GLU A 15 -6.979 -15.990 3.030 1.00 50.24 H new ATOM 0 HG2 GLU A 15 -6.049 -14.624 1.214 1.00 43.42 H new ATOM 0 HG3 GLU A 15 -5.146 -13.661 2.366 1.00 43.42 H new ATOM 243 N TRP A 16 -7.954 -14.298 5.859 1.00 1.44 N ATOM 244 CA TRP A 16 -8.558 -14.809 7.101 1.00 54.21 C ATOM 245 C TRP A 16 -9.215 -13.699 7.946 1.00 44.24 C ATOM 246 O TRP A 16 -10.146 -13.959 8.711 1.00 40.21 O ATOM 247 CB TRP A 16 -7.474 -15.493 7.952 1.00 51.43 C ATOM 248 CG TRP A 16 -6.834 -16.686 7.300 1.00 4.33 C ATOM 249 CD1 TRP A 16 -5.984 -16.680 6.232 1.00 72.02 C ATOM 250 CD2 TRP A 16 -6.979 -18.056 7.688 1.00 44.44 C ATOM 251 NE1 TRP A 16 -5.608 -17.962 5.920 1.00 32.10 N ATOM 252 CE2 TRP A 16 -6.199 -18.825 6.805 1.00 24.11 C ATOM 253 CE3 TRP A 16 -7.690 -18.704 8.698 1.00 42.25 C ATOM 254 CZ2 TRP A 16 -6.118 -20.211 6.896 1.00 24.02 C ATOM 255 CZ3 TRP A 16 -7.607 -20.082 8.792 1.00 42.24 C ATOM 256 CH2 TRP A 16 -6.824 -20.823 7.894 1.00 23.53 C ATOM 0 H TRP A 16 -7.060 -13.827 6.000 1.00 1.44 H new ATOM 0 HA TRP A 16 -9.337 -15.513 6.809 1.00 54.21 H new ATOM 0 HB2 TRP A 16 -6.699 -14.763 8.187 1.00 51.43 H new ATOM 0 HB3 TRP A 16 -7.915 -15.805 8.899 1.00 51.43 H new ATOM 0 HD1 TRP A 16 -5.655 -15.794 5.708 1.00 72.02 H new ATOM 0 HE1 TRP A 16 -4.989 -18.229 5.154 1.00 32.10 H new ATOM 0 HE3 TRP A 16 -8.294 -18.141 9.394 1.00 42.25 H new ATOM 0 HZ2 TRP A 16 -5.519 -20.783 6.203 1.00 24.02 H new ATOM 0 HZ3 TRP A 16 -8.154 -20.595 9.569 1.00 42.24 H new ATOM 0 HH2 TRP A 16 -6.778 -21.897 7.993 1.00 23.53 H new ATOM 267 N GLY A 17 -8.719 -12.476 7.810 1.00 3.21 N ATOM 268 CA GLY A 17 -9.105 -11.397 8.712 1.00 12.34 C ATOM 269 C GLY A 17 -10.491 -10.809 8.456 1.00 3.52 C ATOM 270 O GLY A 17 -11.503 -11.512 8.517 1.00 31.15 O ATOM 0 H GLY A 17 -8.051 -12.206 7.087 1.00 3.21 H new ATOM 0 HA2 GLY A 17 -9.067 -11.768 9.736 1.00 12.34 H new ATOM 0 HA3 GLY A 17 -8.368 -10.598 8.635 1.00 12.34 H new ATOM 274 N GLU A 18 -10.536 -9.509 8.180 1.00 64.41 N ATOM 275 CA GLU A 18 -11.803 -8.778 8.095 1.00 51.23 C ATOM 276 C GLU A 18 -11.679 -7.545 7.179 1.00 21.43 C ATOM 277 O GLU A 18 -10.802 -6.700 7.377 1.00 12.11 O ATOM 278 CB GLU A 18 -12.220 -8.361 9.511 1.00 65.21 C ATOM 279 CG GLU A 18 -13.532 -7.596 9.595 1.00 72.35 C ATOM 280 CD GLU A 18 -13.900 -7.261 11.030 1.00 41.54 C ATOM 281 OE1 GLU A 18 -13.332 -6.294 11.585 1.00 42.05 O ATOM 282 OE2 GLU A 18 -14.741 -7.971 11.619 1.00 33.23 O ATOM 0 H GLU A 18 -9.709 -8.936 8.011 1.00 64.41 H new ATOM 0 HA GLU A 18 -12.563 -9.425 7.658 1.00 51.23 H new ATOM 0 HB2 GLU A 18 -12.298 -9.256 10.129 1.00 65.21 H new ATOM 0 HB3 GLU A 18 -11.429 -7.745 9.940 1.00 65.21 H new ATOM 0 HG2 GLU A 18 -13.454 -6.676 9.016 1.00 72.35 H new ATOM 0 HG3 GLU A 18 -14.328 -8.189 9.145 1.00 72.35 H new ATOM 289 N PRO A 19 -12.556 -7.421 6.161 1.00 4.31 N ATOM 290 CA PRO A 19 -12.506 -6.307 5.200 1.00 55.41 C ATOM 291 C PRO A 19 -12.843 -4.942 5.829 1.00 41.21 C ATOM 292 O PRO A 19 -14.008 -4.557 5.937 1.00 12.15 O ATOM 293 CB PRO A 19 -13.548 -6.689 4.130 1.00 53.43 C ATOM 294 CG PRO A 19 -13.860 -8.131 4.377 1.00 75.23 C ATOM 295 CD PRO A 19 -13.651 -8.355 5.849 1.00 11.24 C ATOM 0 HA PRO A 19 -11.499 -6.179 4.802 1.00 55.41 H new ATOM 0 HB2 PRO A 19 -14.443 -6.073 4.216 1.00 53.43 H new ATOM 0 HB3 PRO A 19 -13.153 -6.539 3.125 1.00 53.43 H new ATOM 0 HG2 PRO A 19 -14.885 -8.363 4.089 1.00 75.23 H new ATOM 0 HG3 PRO A 19 -13.209 -8.777 3.788 1.00 75.23 H new ATOM 0 HD2 PRO A 19 -14.550 -8.134 6.425 1.00 11.24 H new ATOM 0 HD3 PRO A 19 -13.378 -9.387 6.068 1.00 11.24 H new ATOM 303 N ALA A 20 -11.814 -4.235 6.279 1.00 72.13 N ATOM 304 CA ALA A 20 -11.966 -2.859 6.772 1.00 10.23 C ATOM 305 C ALA A 20 -10.768 -1.995 6.363 1.00 73.32 C ATOM 306 O ALA A 20 -10.797 -0.772 6.487 1.00 1.31 O ATOM 307 CB ALA A 20 -12.128 -2.859 8.288 1.00 73.13 C ATOM 0 H ALA A 20 -10.858 -4.588 6.315 1.00 72.13 H new ATOM 0 HA ALA A 20 -12.861 -2.431 6.321 1.00 10.23 H new ATOM 0 HB1 ALA A 20 -12.240 -1.834 8.642 1.00 73.13 H new ATOM 0 HB2 ALA A 20 -13.013 -3.435 8.559 1.00 73.13 H new ATOM 0 HB3 ALA A 20 -11.248 -3.308 8.748 1.00 73.13 H new ATOM 313 N PHE A 21 -9.740 -2.645 5.831 1.00 21.35 N ATOM 314 CA PHE A 21 -8.458 -1.995 5.538 1.00 20.41 C ATOM 315 C PHE A 21 -8.349 -1.555 4.070 1.00 13.33 C ATOM 316 O PHE A 21 -9.064 -2.056 3.198 1.00 72.13 O ATOM 317 CB PHE A 21 -7.304 -2.945 5.894 1.00 70.21 C ATOM 318 CG PHE A 21 -7.440 -4.324 5.293 1.00 25.15 C ATOM 319 CD1 PHE A 21 -6.949 -4.599 4.026 1.00 52.51 C ATOM 320 CD2 PHE A 21 -8.071 -5.345 5.996 1.00 62.12 C ATOM 321 CE1 PHE A 21 -7.083 -5.858 3.472 1.00 71.44 C ATOM 322 CE2 PHE A 21 -8.209 -6.604 5.444 1.00 74.34 C ATOM 323 CZ PHE A 21 -7.713 -6.861 4.180 1.00 64.24 C ATOM 0 H PHE A 21 -9.766 -3.636 5.589 1.00 21.35 H new ATOM 0 HA PHE A 21 -8.398 -1.093 6.148 1.00 20.41 H new ATOM 0 HB2 PHE A 21 -6.366 -2.504 5.558 1.00 70.21 H new ATOM 0 HB3 PHE A 21 -7.243 -3.036 6.978 1.00 70.21 H new ATOM 0 HD1 PHE A 21 -6.455 -3.819 3.465 1.00 52.51 H new ATOM 0 HD2 PHE A 21 -8.458 -5.151 6.986 1.00 62.12 H new ATOM 0 HE1 PHE A 21 -6.694 -6.057 2.484 1.00 71.44 H new ATOM 0 HE2 PHE A 21 -8.704 -7.387 6.000 1.00 74.34 H new ATOM 0 HZ PHE A 21 -7.818 -7.845 3.747 1.00 64.24 H new ATOM 333 N THR A 22 -7.453 -0.605 3.804 1.00 62.54 N ATOM 334 CA THR A 22 -7.220 -0.106 2.438 1.00 63.44 C ATOM 335 C THR A 22 -5.734 -0.189 2.049 1.00 12.30 C ATOM 336 O THR A 22 -4.877 0.360 2.736 1.00 64.42 O ATOM 337 CB THR A 22 -7.692 1.363 2.284 1.00 2.15 C ATOM 338 OG1 THR A 22 -9.092 1.472 2.588 1.00 32.23 O ATOM 339 CG2 THR A 22 -7.442 1.878 0.870 1.00 45.21 C ATOM 0 H THR A 22 -6.872 -0.161 4.515 1.00 62.54 H new ATOM 0 HA THR A 22 -7.801 -0.746 1.774 1.00 63.44 H new ATOM 0 HB THR A 22 -7.117 1.969 2.984 1.00 2.15 H new ATOM 0 HG1 THR A 22 -9.377 2.404 2.489 1.00 32.23 H new ATOM 0 HG21 THR A 22 -7.783 2.910 0.793 1.00 45.21 H new ATOM 0 HG22 THR A 22 -6.376 1.831 0.649 1.00 45.21 H new ATOM 0 HG23 THR A 22 -7.988 1.261 0.156 1.00 45.21 H new ATOM 347 N ILE A 23 -5.435 -0.869 0.940 1.00 35.42 N ATOM 348 CA ILE A 23 -4.051 -0.983 0.446 1.00 22.40 C ATOM 349 C ILE A 23 -3.773 0.062 -0.647 1.00 34.43 C ATOM 350 O ILE A 23 -4.548 0.194 -1.593 1.00 31.24 O ATOM 351 CB ILE A 23 -3.742 -2.395 -0.139 1.00 14.23 C ATOM 352 CG1 ILE A 23 -4.094 -3.515 0.863 1.00 33.31 C ATOM 353 CG2 ILE A 23 -2.272 -2.490 -0.555 1.00 40.54 C ATOM 354 CD1 ILE A 23 -5.575 -3.821 0.957 1.00 0.23 C ATOM 0 H ILE A 23 -6.127 -1.350 0.365 1.00 35.42 H new ATOM 0 HA ILE A 23 -3.407 -0.812 1.309 1.00 22.40 H new ATOM 0 HB ILE A 23 -4.368 -2.533 -1.021 1.00 14.23 H new ATOM 0 HG12 ILE A 23 -3.564 -4.423 0.576 1.00 33.31 H new ATOM 0 HG13 ILE A 23 -3.730 -3.232 1.850 1.00 33.31 H new ATOM 0 HG21 ILE A 23 -2.072 -3.482 -0.961 1.00 40.54 H new ATOM 0 HG22 ILE A 23 -2.059 -1.737 -1.314 1.00 40.54 H new ATOM 0 HG23 ILE A 23 -1.636 -2.319 0.314 1.00 40.54 H new ATOM 0 HD11 ILE A 23 -5.736 -4.619 1.682 1.00 0.23 H new ATOM 0 HD12 ILE A 23 -6.112 -2.927 1.275 1.00 0.23 H new ATOM 0 HD13 ILE A 23 -5.944 -4.138 -0.019 1.00 0.23 H new ATOM 366 N LEU A 24 -2.668 0.799 -0.525 1.00 3.42 N ATOM 367 CA LEU A 24 -2.307 1.816 -1.528 1.00 75.12 C ATOM 368 C LEU A 24 -1.013 1.458 -2.277 1.00 55.33 C ATOM 369 O LEU A 24 0.029 1.213 -1.665 1.00 74.24 O ATOM 370 CB LEU A 24 -2.165 3.202 -0.878 1.00 34.34 C ATOM 371 CG LEU A 24 -3.447 3.767 -0.244 1.00 45.03 C ATOM 372 CD1 LEU A 24 -3.233 5.204 0.219 1.00 31.01 C ATOM 373 CD2 LEU A 24 -4.618 3.683 -1.219 1.00 53.40 C ATOM 0 H LEU A 24 -2.009 0.716 0.249 1.00 3.42 H new ATOM 0 HA LEU A 24 -3.119 1.842 -2.255 1.00 75.12 H new ATOM 0 HB2 LEU A 24 -1.394 3.147 -0.110 1.00 34.34 H new ATOM 0 HB3 LEU A 24 -1.813 3.905 -1.633 1.00 34.34 H new ATOM 0 HG LEU A 24 -3.688 3.160 0.629 1.00 45.03 H new ATOM 0 HD11 LEU A 24 -4.153 5.584 0.664 1.00 31.01 H new ATOM 0 HD12 LEU A 24 -2.433 5.233 0.959 1.00 31.01 H new ATOM 0 HD13 LEU A 24 -2.960 5.824 -0.635 1.00 31.01 H new ATOM 0 HD21 LEU A 24 -5.513 4.088 -0.748 1.00 53.40 H new ATOM 0 HD22 LEU A 24 -4.387 4.259 -2.115 1.00 53.40 H new ATOM 0 HD23 LEU A 24 -4.791 2.642 -1.491 1.00 53.40 H new ATOM 385 N ASP A 25 -1.097 1.437 -3.605 1.00 44.12 N ATOM 386 CA ASP A 25 0.061 1.169 -4.460 1.00 50.32 C ATOM 387 C ASP A 25 0.766 2.480 -4.831 1.00 34.25 C ATOM 388 O ASP A 25 0.342 3.186 -5.748 1.00 64.22 O ATOM 389 CB ASP A 25 -0.402 0.446 -5.728 1.00 50.05 C ATOM 390 CG ASP A 25 0.729 -0.212 -6.499 1.00 11.12 C ATOM 391 OD1 ASP A 25 1.865 0.315 -6.505 1.00 45.41 O ATOM 392 OD2 ASP A 25 0.479 -1.274 -7.097 1.00 21.03 O ATOM 0 H ASP A 25 -1.963 1.604 -4.118 1.00 44.12 H new ATOM 0 HA ASP A 25 0.767 0.539 -3.919 1.00 50.32 H new ATOM 0 HB2 ASP A 25 -1.135 -0.313 -5.456 1.00 50.05 H new ATOM 0 HB3 ASP A 25 -0.908 1.159 -6.379 1.00 50.05 H new ATOM 397 N VAL A 26 1.847 2.800 -4.127 1.00 53.03 N ATOM 398 CA VAL A 26 2.516 4.092 -4.303 1.00 63.41 C ATOM 399 C VAL A 26 3.697 4.019 -5.278 1.00 41.10 C ATOM 400 O VAL A 26 4.467 4.971 -5.403 1.00 53.12 O ATOM 401 CB VAL A 26 2.983 4.659 -2.943 1.00 23.12 C ATOM 402 CG1 VAL A 26 1.775 4.917 -2.047 1.00 45.23 C ATOM 403 CG2 VAL A 26 3.977 3.712 -2.270 1.00 73.52 C ATOM 0 H VAL A 26 2.279 2.190 -3.433 1.00 53.03 H new ATOM 0 HA VAL A 26 1.778 4.766 -4.739 1.00 63.41 H new ATOM 0 HB VAL A 26 3.497 5.605 -3.114 1.00 23.12 H new ATOM 0 HG11 VAL A 26 2.111 5.316 -1.090 1.00 45.23 H new ATOM 0 HG12 VAL A 26 1.112 5.636 -2.528 1.00 45.23 H new ATOM 0 HG13 VAL A 26 1.238 3.983 -1.882 1.00 45.23 H new ATOM 0 HG21 VAL A 26 4.291 4.133 -1.315 1.00 73.52 H new ATOM 0 HG22 VAL A 26 3.502 2.745 -2.102 1.00 73.52 H new ATOM 0 HG23 VAL A 26 4.848 3.582 -2.913 1.00 73.52 H new ATOM 413 N ARG A 27 3.827 2.903 -5.991 1.00 75.30 N ATOM 414 CA ARG A 27 4.878 2.761 -7.002 1.00 42.31 C ATOM 415 C ARG A 27 4.614 3.678 -8.200 1.00 54.54 C ATOM 416 O ARG A 27 5.327 4.664 -8.411 1.00 51.30 O ATOM 417 CB ARG A 27 4.986 1.306 -7.466 1.00 44.30 C ATOM 418 CG ARG A 27 5.611 0.376 -6.436 1.00 15.21 C ATOM 419 CD ARG A 27 5.492 -1.079 -6.857 1.00 73.03 C ATOM 420 NE ARG A 27 4.105 -1.507 -6.895 1.00 14.33 N ATOM 421 CZ ARG A 27 3.702 -2.627 -7.402 1.00 43.13 C ATOM 422 NH1 ARG A 27 4.528 -3.421 -8.002 1.00 5.31 N ATOM 423 NH2 ARG A 27 2.460 -2.935 -7.341 1.00 73.24 N ATOM 0 H ARG A 27 3.223 2.087 -5.891 1.00 75.30 H new ATOM 0 HA ARG A 27 5.823 3.055 -6.546 1.00 42.31 H new ATOM 0 HB2 ARG A 27 3.990 0.939 -7.715 1.00 44.30 H new ATOM 0 HB3 ARG A 27 5.578 1.269 -8.381 1.00 44.30 H new ATOM 0 HG2 ARG A 27 6.662 0.633 -6.302 1.00 15.21 H new ATOM 0 HG3 ARG A 27 5.123 0.518 -5.472 1.00 15.21 H new ATOM 0 HD2 ARG A 27 5.943 -1.213 -7.840 1.00 73.03 H new ATOM 0 HD3 ARG A 27 6.049 -1.707 -6.162 1.00 73.03 H new ATOM 0 HE ARG A 27 3.403 -0.884 -6.496 1.00 14.33 H new ATOM 0 HH11 ARG A 27 5.513 -3.168 -8.081 1.00 5.31 H new ATOM 0 HH12 ARG A 27 4.195 -4.301 -8.396 1.00 5.31 H new ATOM 0 HH21 ARG A 27 1.798 -2.299 -6.896 1.00 73.24 H new ATOM 0 HH22 ARG A 27 2.133 -3.816 -7.738 1.00 73.24 H new ATOM 437 N ASP A 28 3.581 3.354 -8.974 1.00 54.41 N ATOM 438 CA ASP A 28 3.193 4.167 -10.125 1.00 63.13 C ATOM 439 C ASP A 28 1.875 3.666 -10.731 1.00 23.33 C ATOM 440 O ASP A 28 1.463 2.531 -10.503 1.00 4.12 O ATOM 441 CB ASP A 28 4.291 4.156 -11.202 1.00 43.44 C ATOM 442 CG ASP A 28 4.057 5.220 -12.258 1.00 41.41 C ATOM 443 OD1 ASP A 28 4.490 6.372 -12.054 1.00 61.24 O ATOM 444 OD2 ASP A 28 3.421 4.918 -13.285 1.00 13.22 O ATOM 0 H ASP A 28 2.996 2.532 -8.825 1.00 54.41 H new ATOM 0 HA ASP A 28 3.055 5.189 -9.772 1.00 63.13 H new ATOM 0 HB2 ASP A 28 5.262 4.317 -10.733 1.00 43.44 H new ATOM 0 HB3 ASP A 28 4.325 3.175 -11.676 1.00 43.44 H new ATOM 449 N ARG A 29 1.224 4.527 -11.502 1.00 42.12 N ATOM 450 CA ARG A 29 0.010 4.167 -12.238 1.00 22.34 C ATOM 451 C ARG A 29 0.266 2.949 -13.156 1.00 3.51 C ATOM 452 O ARG A 29 -0.500 1.974 -13.159 1.00 53.24 O ATOM 453 CB ARG A 29 -0.433 5.396 -13.052 1.00 54.34 C ATOM 454 CG ARG A 29 -1.684 5.215 -13.904 1.00 41.45 C ATOM 455 CD ARG A 29 -2.919 4.852 -13.084 1.00 44.15 C ATOM 456 NE ARG A 29 -3.035 3.413 -12.871 1.00 50.12 N ATOM 457 CZ ARG A 29 -4.115 2.730 -13.119 1.00 32.24 C ATOM 458 NH1 ARG A 29 -5.163 3.313 -13.602 1.00 53.01 N ATOM 459 NH2 ARG A 29 -4.136 1.459 -12.915 1.00 5.54 N ATOM 0 H ARG A 29 1.519 5.494 -11.638 1.00 42.12 H new ATOM 0 HA ARG A 29 -0.780 3.880 -11.545 1.00 22.34 H new ATOM 0 HB2 ARG A 29 -0.603 6.222 -12.362 1.00 54.34 H new ATOM 0 HB3 ARG A 29 0.388 5.690 -13.705 1.00 54.34 H new ATOM 0 HG2 ARG A 29 -1.878 6.136 -14.454 1.00 41.45 H new ATOM 0 HG3 ARG A 29 -1.503 4.434 -14.643 1.00 41.45 H new ATOM 0 HD2 ARG A 29 -2.874 5.358 -12.120 1.00 44.15 H new ATOM 0 HD3 ARG A 29 -3.811 5.215 -13.594 1.00 44.15 H new ATOM 0 HE ARG A 29 -2.223 2.914 -12.507 1.00 50.12 H new ATOM 0 HH11 ARG A 29 -5.147 4.315 -13.791 1.00 53.01 H new ATOM 0 HH12 ARG A 29 -6.005 2.771 -13.794 1.00 53.01 H new ATOM 0 HH21 ARG A 29 -3.306 0.986 -12.559 1.00 5.54 H new ATOM 0 HH22 ARG A 29 -4.983 0.925 -13.110 1.00 5.54 H new ATOM 473 N SER A 30 1.373 3.003 -13.893 1.00 63.12 N ATOM 474 CA SER A 30 1.786 1.917 -14.786 1.00 0.21 C ATOM 475 C SER A 30 2.146 0.659 -13.991 1.00 63.10 C ATOM 476 O SER A 30 1.598 -0.415 -14.229 1.00 14.34 O ATOM 477 CB SER A 30 3.001 2.353 -15.616 1.00 51.02 C ATOM 478 OG SER A 30 4.109 2.657 -14.778 1.00 14.50 O ATOM 0 H SER A 30 2.010 3.799 -13.890 1.00 63.12 H new ATOM 0 HA SER A 30 0.949 1.688 -15.446 1.00 0.21 H new ATOM 0 HB2 SER A 30 3.274 1.560 -16.312 1.00 51.02 H new ATOM 0 HB3 SER A 30 2.743 3.227 -16.214 1.00 51.02 H new ATOM 0 HG SER A 30 3.910 3.458 -14.250 1.00 14.50 H new ATOM 484 N THR A 31 3.067 0.807 -13.040 1.00 14.13 N ATOM 485 CA THR A 31 3.514 -0.310 -12.194 1.00 71.45 C ATOM 486 C THR A 31 2.342 -0.986 -11.469 1.00 60.30 C ATOM 487 O THR A 31 2.348 -2.202 -11.267 1.00 2.41 O ATOM 488 CB THR A 31 4.563 0.149 -11.155 1.00 2.21 C ATOM 489 OG1 THR A 31 5.602 0.893 -11.811 1.00 24.21 O ATOM 490 CG2 THR A 31 5.184 -1.044 -10.436 1.00 25.43 C ATOM 0 H THR A 31 3.524 1.695 -12.831 1.00 14.13 H new ATOM 0 HA THR A 31 3.973 -1.036 -12.865 1.00 71.45 H new ATOM 0 HB THR A 31 4.058 0.776 -10.420 1.00 2.21 H new ATOM 0 HG1 THR A 31 6.264 1.184 -11.149 1.00 24.21 H new ATOM 0 HG21 THR A 31 5.918 -0.691 -9.712 1.00 25.43 H new ATOM 0 HG22 THR A 31 4.404 -1.604 -9.919 1.00 25.43 H new ATOM 0 HG23 THR A 31 5.674 -1.692 -11.163 1.00 25.43 H new ATOM 498 N TYR A 32 1.335 -0.200 -11.080 1.00 52.14 N ATOM 499 CA TYR A 32 0.102 -0.761 -10.523 1.00 4.31 C ATOM 500 C TYR A 32 -0.524 -1.745 -11.520 1.00 24.12 C ATOM 501 O TYR A 32 -0.884 -2.866 -11.162 1.00 75.35 O ATOM 502 CB TYR A 32 -0.902 0.351 -10.173 1.00 0.21 C ATOM 503 CG TYR A 32 -2.258 -0.170 -9.701 1.00 65.24 C ATOM 504 CD1 TYR A 32 -2.452 -0.575 -8.385 1.00 41.33 C ATOM 505 CD2 TYR A 32 -3.334 -0.268 -10.577 1.00 54.12 C ATOM 506 CE1 TYR A 32 -3.675 -1.063 -7.956 1.00 70.40 C ATOM 507 CE2 TYR A 32 -4.560 -0.749 -10.155 1.00 32.44 C ATOM 508 CZ TYR A 32 -4.725 -1.148 -8.846 1.00 70.12 C ATOM 509 OH TYR A 32 -5.943 -1.642 -8.427 1.00 20.11 O ATOM 0 H TYR A 32 1.348 0.818 -11.140 1.00 52.14 H new ATOM 0 HA TYR A 32 0.352 -1.292 -9.605 1.00 4.31 H new ATOM 0 HB2 TYR A 32 -0.474 0.982 -9.394 1.00 0.21 H new ATOM 0 HB3 TYR A 32 -1.051 0.983 -11.049 1.00 0.21 H new ATOM 0 HD1 TYR A 32 -1.633 -0.508 -7.684 1.00 41.33 H new ATOM 0 HD2 TYR A 32 -3.210 0.037 -11.606 1.00 54.12 H new ATOM 0 HE1 TYR A 32 -3.806 -1.375 -6.930 1.00 70.40 H new ATOM 0 HE2 TYR A 32 -5.385 -0.812 -10.849 1.00 32.44 H new ATOM 0 HH TYR A 32 -5.998 -1.592 -7.450 1.00 20.11 H new ATOM 519 N ASN A 33 -0.643 -1.320 -12.778 1.00 14.23 N ATOM 520 CA ASN A 33 -1.121 -2.207 -13.847 1.00 54.55 C ATOM 521 C ASN A 33 -0.153 -3.385 -14.068 1.00 23.41 C ATOM 522 O ASN A 33 -0.586 -4.518 -14.294 1.00 54.00 O ATOM 523 CB ASN A 33 -1.301 -1.421 -15.150 1.00 21.15 C ATOM 524 CG ASN A 33 -2.396 -0.375 -15.046 1.00 64.40 C ATOM 525 OD1 ASN A 33 -3.386 -0.562 -14.347 1.00 12.50 O ATOM 526 ND2 ASN A 33 -2.221 0.735 -15.728 1.00 14.22 N ATOM 0 H ASN A 33 -0.417 -0.374 -13.084 1.00 14.23 H new ATOM 0 HA ASN A 33 -2.085 -2.613 -13.540 1.00 54.55 H new ATOM 0 HB2 ASN A 33 -0.361 -0.935 -15.411 1.00 21.15 H new ATOM 0 HB3 ASN A 33 -1.538 -2.112 -15.959 1.00 21.15 H new ATOM 0 HD21 ASN A 33 -2.921 1.475 -15.686 1.00 14.22 H new ATOM 0 HD22 ASN A 33 -1.385 0.856 -16.299 1.00 14.22 H new ATOM 533 N ASP A 34 1.151 -3.116 -13.984 1.00 22.14 N ATOM 534 CA ASP A 34 2.171 -4.143 -14.210 1.00 2.33 C ATOM 535 C ASP A 34 2.087 -5.295 -13.183 1.00 10.23 C ATOM 536 O ASP A 34 2.107 -6.467 -13.565 1.00 41.43 O ATOM 537 CB ASP A 34 3.574 -3.514 -14.189 1.00 21.55 C ATOM 538 CG ASP A 34 3.802 -2.535 -15.336 1.00 24.23 C ATOM 539 OD1 ASP A 34 2.997 -2.521 -16.290 1.00 42.12 O ATOM 540 OD2 ASP A 34 4.802 -1.789 -15.298 1.00 3.55 O ATOM 0 H ASP A 34 1.527 -2.194 -13.761 1.00 22.14 H new ATOM 0 HA ASP A 34 1.980 -4.574 -15.193 1.00 2.33 H new ATOM 0 HB2 ASP A 34 3.720 -2.996 -13.241 1.00 21.55 H new ATOM 0 HB3 ASP A 34 4.322 -4.305 -14.239 1.00 21.55 H new ATOM 545 N GLY A 35 1.974 -4.975 -11.894 1.00 3.22 N ATOM 546 CA GLY A 35 1.848 -6.025 -10.881 1.00 30.23 C ATOM 547 C GLY A 35 1.538 -5.494 -9.487 1.00 2.21 C ATOM 548 O GLY A 35 2.427 -4.994 -8.805 1.00 74.41 O ATOM 0 H GLY A 35 1.967 -4.022 -11.531 1.00 3.22 H new ATOM 0 HA2 GLY A 35 1.060 -6.715 -11.181 1.00 30.23 H new ATOM 0 HA3 GLY A 35 2.775 -6.597 -10.845 1.00 30.23 H new ATOM 552 N HIS A 36 0.287 -5.640 -9.045 1.00 44.13 N ATOM 553 CA HIS A 36 -0.171 -5.055 -7.773 1.00 33.13 C ATOM 554 C HIS A 36 -0.781 -6.110 -6.838 1.00 52.13 C ATOM 555 O HIS A 36 -1.217 -7.166 -7.285 1.00 5.14 O ATOM 556 CB HIS A 36 -1.208 -3.955 -8.046 1.00 53.44 C ATOM 557 CG HIS A 36 -2.454 -4.439 -8.746 1.00 13.01 C ATOM 558 ND1 HIS A 36 -2.552 -4.556 -10.116 1.00 10.44 N ATOM 559 CD2 HIS A 36 -3.661 -4.828 -8.258 1.00 5.44 C ATOM 560 CE1 HIS A 36 -3.752 -4.991 -10.441 1.00 30.54 C ATOM 561 NE2 HIS A 36 -4.444 -5.165 -9.334 1.00 41.12 N ATOM 0 H HIS A 36 -0.433 -6.159 -9.548 1.00 44.13 H new ATOM 0 HA HIS A 36 0.703 -4.633 -7.277 1.00 33.13 H new ATOM 0 HB2 HIS A 36 -1.492 -3.496 -7.099 1.00 53.44 H new ATOM 0 HB3 HIS A 36 -0.744 -3.176 -8.651 1.00 53.44 H new ATOM 0 HD1 HIS A 36 -1.807 -4.338 -10.778 1.00 10.44 H new ATOM 0 HD2 HIS A 36 -3.950 -4.865 -7.218 1.00 5.44 H new ATOM 0 HE1 HIS A 36 -4.108 -5.174 -11.444 1.00 30.54 H new ATOM 570 N ILE A 37 -0.832 -5.802 -5.543 1.00 62.13 N ATOM 571 CA ILE A 37 -1.485 -6.677 -4.558 1.00 50.13 C ATOM 572 C ILE A 37 -2.986 -6.843 -4.864 1.00 22.20 C ATOM 573 O ILE A 37 -3.649 -5.899 -5.303 1.00 13.20 O ATOM 574 CB ILE A 37 -1.301 -6.126 -3.113 1.00 3.34 C ATOM 575 CG1 ILE A 37 0.172 -6.244 -2.682 1.00 64.11 C ATOM 576 CG2 ILE A 37 -2.215 -6.849 -2.118 1.00 73.34 C ATOM 577 CD1 ILE A 37 0.461 -5.683 -1.302 1.00 44.40 C ATOM 0 H ILE A 37 -0.430 -4.953 -5.146 1.00 62.13 H new ATOM 0 HA ILE A 37 -1.007 -7.654 -4.627 1.00 50.13 H new ATOM 0 HB ILE A 37 -1.584 -5.073 -3.115 1.00 3.34 H new ATOM 0 HG12 ILE A 37 0.463 -7.294 -2.704 1.00 64.11 H new ATOM 0 HG13 ILE A 37 0.795 -5.726 -3.411 1.00 64.11 H new ATOM 0 HG21 ILE A 37 -2.061 -6.440 -1.119 1.00 73.34 H new ATOM 0 HG22 ILE A 37 -3.255 -6.709 -2.411 1.00 73.34 H new ATOM 0 HG23 ILE A 37 -1.979 -7.913 -2.115 1.00 73.34 H new ATOM 0 HD11 ILE A 37 1.520 -5.805 -1.074 1.00 44.40 H new ATOM 0 HD12 ILE A 37 0.204 -4.624 -1.279 1.00 44.40 H new ATOM 0 HD13 ILE A 37 -0.133 -6.217 -0.560 1.00 44.40 H new ATOM 589 N MET A 38 -3.508 -8.049 -4.639 1.00 71.13 N ATOM 590 CA MET A 38 -4.921 -8.344 -4.901 1.00 53.40 C ATOM 591 C MET A 38 -5.860 -7.430 -4.090 1.00 3.14 C ATOM 592 O MET A 38 -5.902 -7.492 -2.861 1.00 55.14 O ATOM 593 CB MET A 38 -5.225 -9.822 -4.600 1.00 63.32 C ATOM 594 CG MET A 38 -6.690 -10.205 -4.789 1.00 43.44 C ATOM 595 SD MET A 38 -6.985 -11.975 -4.595 1.00 74.43 S ATOM 596 CE MET A 38 -6.140 -12.620 -6.038 1.00 13.42 C ATOM 0 H MET A 38 -2.975 -8.839 -4.276 1.00 71.13 H new ATOM 0 HA MET A 38 -5.104 -8.149 -5.958 1.00 53.40 H new ATOM 0 HB2 MET A 38 -4.610 -10.448 -5.247 1.00 63.32 H new ATOM 0 HB3 MET A 38 -4.932 -10.041 -3.573 1.00 63.32 H new ATOM 0 HG2 MET A 38 -7.299 -9.659 -4.068 1.00 43.44 H new ATOM 0 HG3 MET A 38 -7.016 -9.894 -5.782 1.00 43.44 H new ATOM 0 HE1 MET A 38 -6.462 -13.645 -6.220 1.00 13.42 H new ATOM 0 HE2 MET A 38 -6.380 -12.005 -6.905 1.00 13.42 H new ATOM 0 HE3 MET A 38 -5.064 -12.602 -5.868 1.00 13.42 H new ATOM 606 N GLY A 39 -6.613 -6.584 -4.794 1.00 11.25 N ATOM 607 CA GLY A 39 -7.555 -5.678 -4.140 1.00 10.54 C ATOM 608 C GLY A 39 -6.941 -4.349 -3.692 1.00 62.32 C ATOM 609 O GLY A 39 -7.517 -3.647 -2.857 1.00 2.50 O ATOM 0 H GLY A 39 -6.589 -6.508 -5.811 1.00 11.25 H new ATOM 0 HA2 GLY A 39 -8.378 -5.472 -4.824 1.00 10.54 H new ATOM 0 HA3 GLY A 39 -7.980 -6.180 -3.271 1.00 10.54 H new ATOM 613 N ALA A 40 -5.780 -3.993 -4.244 1.00 51.01 N ATOM 614 CA ALA A 40 -5.119 -2.724 -3.904 1.00 61.43 C ATOM 615 C ALA A 40 -5.720 -1.531 -4.667 1.00 33.52 C ATOM 616 O ALA A 40 -6.448 -1.696 -5.648 1.00 63.21 O ATOM 617 CB ALA A 40 -3.622 -2.809 -4.180 1.00 5.05 C ATOM 0 H ALA A 40 -5.277 -4.560 -4.926 1.00 51.01 H new ATOM 0 HA ALA A 40 -5.285 -2.556 -2.840 1.00 61.43 H new ATOM 0 HB1 ALA A 40 -3.150 -1.861 -3.922 1.00 5.05 H new ATOM 0 HB2 ALA A 40 -3.186 -3.607 -3.579 1.00 5.05 H new ATOM 0 HB3 ALA A 40 -3.458 -3.020 -5.237 1.00 5.05 H new ATOM 623 N MET A 41 -5.391 -0.326 -4.211 1.00 31.22 N ATOM 624 CA MET A 41 -5.891 0.915 -4.818 1.00 72.44 C ATOM 625 C MET A 41 -4.826 1.590 -5.693 1.00 13.20 C ATOM 626 O MET A 41 -3.627 1.495 -5.419 1.00 72.21 O ATOM 627 CB MET A 41 -6.324 1.883 -3.719 1.00 64.04 C ATOM 628 CG MET A 41 -7.440 1.350 -2.837 1.00 15.50 C ATOM 629 SD MET A 41 -9.029 1.261 -3.687 1.00 54.32 S ATOM 630 CE MET A 41 -9.294 2.986 -4.104 1.00 24.11 C ATOM 0 H MET A 41 -4.773 -0.177 -3.413 1.00 31.22 H new ATOM 0 HA MET A 41 -6.738 0.657 -5.453 1.00 72.44 H new ATOM 0 HB2 MET A 41 -5.462 2.119 -3.095 1.00 64.04 H new ATOM 0 HB3 MET A 41 -6.650 2.816 -4.178 1.00 64.04 H new ATOM 0 HG2 MET A 41 -7.170 0.357 -2.479 1.00 15.50 H new ATOM 0 HG3 MET A 41 -7.539 1.989 -1.960 1.00 15.50 H new ATOM 0 HE1 MET A 41 -10.361 3.169 -4.233 1.00 24.11 H new ATOM 0 HE2 MET A 41 -8.911 3.617 -3.302 1.00 24.11 H new ATOM 0 HE3 MET A 41 -8.771 3.221 -5.031 1.00 24.11 H new ATOM 640 N ALA A 42 -5.276 2.288 -6.730 1.00 14.54 N ATOM 641 CA ALA A 42 -4.370 3.002 -7.635 1.00 4.22 C ATOM 642 C ALA A 42 -4.040 4.411 -7.111 1.00 15.24 C ATOM 643 O ALA A 42 -4.612 5.407 -7.559 1.00 74.15 O ATOM 644 CB ALA A 42 -4.963 3.073 -9.042 1.00 15.11 C ATOM 0 H ALA A 42 -6.264 2.377 -6.969 1.00 14.54 H new ATOM 0 HA ALA A 42 -3.436 2.442 -7.679 1.00 4.22 H new ATOM 0 HB1 ALA A 42 -4.277 3.606 -9.700 1.00 15.11 H new ATOM 0 HB2 ALA A 42 -5.119 2.064 -9.422 1.00 15.11 H new ATOM 0 HB3 ALA A 42 -5.917 3.600 -9.009 1.00 15.11 H new ATOM 650 N MET A 43 -3.131 4.484 -6.141 1.00 40.31 N ATOM 651 CA MET A 43 -2.662 5.772 -5.610 1.00 33.12 C ATOM 652 C MET A 43 -1.142 5.925 -5.773 1.00 10.44 C ATOM 653 O MET A 43 -0.382 5.652 -4.846 1.00 24.12 O ATOM 654 CB MET A 43 -3.050 5.947 -4.133 1.00 50.21 C ATOM 655 CG MET A 43 -4.493 6.383 -3.913 1.00 51.21 C ATOM 656 SD MET A 43 -5.688 5.042 -4.028 1.00 13.15 S ATOM 657 CE MET A 43 -7.192 5.951 -3.676 1.00 63.53 C ATOM 0 H MET A 43 -2.702 3.669 -5.703 1.00 40.31 H new ATOM 0 HA MET A 43 -3.154 6.552 -6.191 1.00 33.12 H new ATOM 0 HB2 MET A 43 -2.884 5.005 -3.611 1.00 50.21 H new ATOM 0 HB3 MET A 43 -2.387 6.684 -3.680 1.00 50.21 H new ATOM 0 HG2 MET A 43 -4.576 6.847 -2.930 1.00 51.21 H new ATOM 0 HG3 MET A 43 -4.747 7.147 -4.648 1.00 51.21 H new ATOM 0 HE1 MET A 43 -7.677 5.526 -2.797 1.00 63.53 H new ATOM 0 HE2 MET A 43 -6.949 6.997 -3.487 1.00 63.53 H new ATOM 0 HE3 MET A 43 -7.866 5.884 -4.530 1.00 63.53 H new ATOM 667 N PRO A 44 -0.684 6.386 -6.954 1.00 33.44 N ATOM 668 CA PRO A 44 0.753 6.534 -7.238 1.00 61.40 C ATOM 669 C PRO A 44 1.385 7.660 -6.404 1.00 52.01 C ATOM 670 O PRO A 44 0.790 8.720 -6.238 1.00 30.31 O ATOM 671 CB PRO A 44 0.790 6.860 -8.741 1.00 13.24 C ATOM 672 CG PRO A 44 -0.544 7.464 -9.037 1.00 41.44 C ATOM 673 CD PRO A 44 -1.526 6.820 -8.088 1.00 54.41 C ATOM 0 HA PRO A 44 1.325 5.642 -6.983 1.00 61.40 H new ATOM 0 HB2 PRO A 44 1.598 7.553 -8.975 1.00 13.24 H new ATOM 0 HB3 PRO A 44 0.958 5.962 -9.336 1.00 13.24 H new ATOM 0 HG2 PRO A 44 -0.520 8.545 -8.896 1.00 41.44 H new ATOM 0 HG3 PRO A 44 -0.830 7.283 -10.073 1.00 41.44 H new ATOM 0 HD2 PRO A 44 -2.295 7.524 -7.769 1.00 54.41 H new ATOM 0 HD3 PRO A 44 -2.038 5.977 -8.552 1.00 54.41 H new ATOM 681 N ILE A 45 2.602 7.434 -5.907 1.00 72.12 N ATOM 682 CA ILE A 45 3.241 8.341 -4.936 1.00 61.12 C ATOM 683 C ILE A 45 3.230 9.821 -5.385 1.00 44.14 C ATOM 684 O ILE A 45 3.248 10.729 -4.552 1.00 51.02 O ATOM 685 CB ILE A 45 4.690 7.880 -4.627 1.00 42.51 C ATOM 686 CG1 ILE A 45 5.259 8.605 -3.391 1.00 32.11 C ATOM 687 CG2 ILE A 45 5.598 8.082 -5.840 1.00 62.43 C ATOM 688 CD1 ILE A 45 6.587 8.044 -2.917 1.00 13.02 C ATOM 0 H ILE A 45 3.173 6.627 -6.159 1.00 72.12 H new ATOM 0 HA ILE A 45 2.643 8.287 -4.027 1.00 61.12 H new ATOM 0 HB ILE A 45 4.655 6.814 -4.401 1.00 42.51 H new ATOM 0 HG12 ILE A 45 5.383 9.662 -3.625 1.00 32.11 H new ATOM 0 HG13 ILE A 45 4.536 8.542 -2.578 1.00 32.11 H new ATOM 0 HG21 ILE A 45 6.608 7.751 -5.598 1.00 62.43 H new ATOM 0 HG22 ILE A 45 5.218 7.501 -6.680 1.00 62.43 H new ATOM 0 HG23 ILE A 45 5.617 9.138 -6.109 1.00 62.43 H new ATOM 0 HD11 ILE A 45 6.927 8.602 -2.045 1.00 13.02 H new ATOM 0 HD12 ILE A 45 6.464 6.994 -2.651 1.00 13.02 H new ATOM 0 HD13 ILE A 45 7.325 8.132 -3.715 1.00 13.02 H new ATOM 700 N GLU A 46 3.191 10.063 -6.696 1.00 72.51 N ATOM 701 CA GLU A 46 3.077 11.430 -7.228 1.00 72.14 C ATOM 702 C GLU A 46 1.678 12.025 -6.977 1.00 2.15 C ATOM 703 O GLU A 46 1.538 13.181 -6.573 1.00 33.30 O ATOM 704 CB GLU A 46 3.369 11.442 -8.737 1.00 44.11 C ATOM 705 CG GLU A 46 2.391 10.604 -9.568 1.00 0.03 C ATOM 706 CD GLU A 46 2.544 10.825 -11.063 1.00 2.43 C ATOM 707 OE1 GLU A 46 3.389 10.152 -11.686 1.00 4.15 O ATOM 708 OE2 GLU A 46 1.818 11.678 -11.621 1.00 73.12 O ATOM 0 H GLU A 46 3.236 9.336 -7.410 1.00 72.51 H new ATOM 0 HA GLU A 46 3.811 12.043 -6.704 1.00 72.14 H new ATOM 0 HB2 GLU A 46 3.343 12.472 -9.093 1.00 44.11 H new ATOM 0 HB3 GLU A 46 4.381 11.072 -8.904 1.00 44.11 H new ATOM 0 HG2 GLU A 46 2.545 9.548 -9.345 1.00 0.03 H new ATOM 0 HG3 GLU A 46 1.370 10.847 -9.273 1.00 0.03 H new ATOM 715 N ASP A 47 0.651 11.213 -7.215 1.00 54.20 N ATOM 716 CA ASP A 47 -0.748 11.653 -7.140 1.00 62.43 C ATOM 717 C ASP A 47 -1.393 11.209 -5.815 1.00 62.52 C ATOM 718 O ASP A 47 -2.563 11.481 -5.557 1.00 12.41 O ATOM 719 CB ASP A 47 -1.518 11.053 -8.329 1.00 52.13 C ATOM 720 CG ASP A 47 -2.390 12.066 -9.042 1.00 15.40 C ATOM 721 OD1 ASP A 47 -3.510 12.336 -8.572 1.00 52.14 O ATOM 722 OD2 ASP A 47 -1.960 12.594 -10.087 1.00 73.13 O ATOM 0 H ASP A 47 0.761 10.230 -7.466 1.00 54.20 H new ATOM 0 HA ASP A 47 -0.785 12.742 -7.181 1.00 62.43 H new ATOM 0 HB2 ASP A 47 -0.807 10.630 -9.039 1.00 52.13 H new ATOM 0 HB3 ASP A 47 -2.141 10.232 -7.974 1.00 52.13 H new ATOM 727 N LEU A 48 -0.601 10.541 -4.986 1.00 64.44 N ATOM 728 CA LEU A 48 -1.074 9.888 -3.753 1.00 51.05 C ATOM 729 C LEU A 48 -1.991 10.777 -2.893 1.00 33.21 C ATOM 730 O LEU A 48 -3.121 10.389 -2.583 1.00 35.35 O ATOM 731 CB LEU A 48 0.141 9.444 -2.929 1.00 73.45 C ATOM 732 CG LEU A 48 -0.167 8.797 -1.568 1.00 24.32 C ATOM 733 CD1 LEU A 48 -0.951 7.499 -1.743 1.00 15.31 C ATOM 734 CD2 LEU A 48 1.120 8.549 -0.788 1.00 42.31 C ATOM 0 H LEU A 48 0.401 10.431 -5.145 1.00 64.44 H new ATOM 0 HA LEU A 48 -1.679 9.033 -4.056 1.00 51.05 H new ATOM 0 HB2 LEU A 48 0.719 8.736 -3.523 1.00 73.45 H new ATOM 0 HB3 LEU A 48 0.778 10.313 -2.760 1.00 73.45 H new ATOM 0 HG LEU A 48 -0.787 9.489 -0.998 1.00 24.32 H new ATOM 0 HD11 LEU A 48 -1.155 7.063 -0.765 1.00 15.31 H new ATOM 0 HD12 LEU A 48 -1.892 7.708 -2.251 1.00 15.31 H new ATOM 0 HD13 LEU A 48 -0.366 6.798 -2.338 1.00 15.31 H new ATOM 0 HD21 LEU A 48 0.881 8.091 0.172 1.00 42.31 H new ATOM 0 HD22 LEU A 48 1.768 7.882 -1.357 1.00 42.31 H new ATOM 0 HD23 LEU A 48 1.632 9.496 -0.620 1.00 42.31 H new ATOM 746 N VAL A 49 -1.503 11.956 -2.510 1.00 2.34 N ATOM 747 CA VAL A 49 -2.252 12.852 -1.614 1.00 63.32 C ATOM 748 C VAL A 49 -3.649 13.172 -2.170 1.00 70.11 C ATOM 749 O VAL A 49 -4.666 12.973 -1.497 1.00 75.13 O ATOM 750 CB VAL A 49 -1.478 14.176 -1.378 1.00 75.35 C ATOM 751 CG1 VAL A 49 -2.276 15.134 -0.493 1.00 21.32 C ATOM 752 CG2 VAL A 49 -0.099 13.896 -0.778 1.00 12.10 C ATOM 0 H VAL A 49 -0.595 12.317 -2.802 1.00 2.34 H new ATOM 0 HA VAL A 49 -2.367 12.327 -0.666 1.00 63.32 H new ATOM 0 HB VAL A 49 -1.337 14.660 -2.345 1.00 75.35 H new ATOM 0 HG11 VAL A 49 -1.708 16.052 -0.346 1.00 21.32 H new ATOM 0 HG12 VAL A 49 -3.226 15.368 -0.974 1.00 21.32 H new ATOM 0 HG13 VAL A 49 -2.465 14.665 0.473 1.00 21.32 H new ATOM 0 HG21 VAL A 49 0.427 14.837 -0.620 1.00 12.10 H new ATOM 0 HG22 VAL A 49 -0.215 13.381 0.176 1.00 12.10 H new ATOM 0 HG23 VAL A 49 0.475 13.270 -1.461 1.00 12.10 H new ATOM 762 N ASP A 50 -3.687 13.641 -3.407 1.00 13.54 N ATOM 763 CA ASP A 50 -4.942 14.004 -4.065 1.00 23.42 C ATOM 764 C ASP A 50 -5.849 12.776 -4.287 1.00 65.32 C ATOM 765 O ASP A 50 -7.055 12.825 -4.025 1.00 21.31 O ATOM 766 CB ASP A 50 -4.632 14.691 -5.394 1.00 14.20 C ATOM 767 CG ASP A 50 -3.684 15.865 -5.209 1.00 33.44 C ATOM 768 OD1 ASP A 50 -2.452 15.646 -5.200 1.00 54.31 O ATOM 769 OD2 ASP A 50 -4.166 17.006 -5.045 1.00 3.51 O ATOM 0 H ASP A 50 -2.858 13.782 -3.984 1.00 13.54 H new ATOM 0 HA ASP A 50 -5.487 14.689 -3.415 1.00 23.42 H new ATOM 0 HB2 ASP A 50 -4.190 13.971 -6.082 1.00 14.20 H new ATOM 0 HB3 ASP A 50 -5.559 15.039 -5.849 1.00 14.20 H new ATOM 774 N ARG A 51 -5.263 11.676 -4.759 1.00 51.42 N ATOM 775 CA ARG A 51 -6.007 10.428 -4.991 1.00 53.13 C ATOM 776 C ARG A 51 -6.705 9.931 -3.717 1.00 42.13 C ATOM 777 O ARG A 51 -7.917 9.715 -3.700 1.00 64.14 O ATOM 778 CB ARG A 51 -5.057 9.340 -5.514 1.00 11.51 C ATOM 779 CG ARG A 51 -4.574 9.582 -6.934 1.00 63.32 C ATOM 780 CD ARG A 51 -5.723 9.500 -7.928 1.00 1.31 C ATOM 781 NE ARG A 51 -5.442 10.256 -9.147 1.00 41.32 N ATOM 782 CZ ARG A 51 -6.085 10.107 -10.273 1.00 3.43 C ATOM 783 NH1 ARG A 51 -6.990 9.195 -10.407 1.00 53.32 N ATOM 784 NH2 ARG A 51 -5.812 10.869 -11.280 1.00 43.11 N ATOM 0 H ARG A 51 -4.271 11.619 -4.991 1.00 51.42 H new ATOM 0 HA ARG A 51 -6.776 10.639 -5.734 1.00 53.13 H new ATOM 0 HB2 ARG A 51 -4.193 9.275 -4.852 1.00 11.51 H new ATOM 0 HB3 ARG A 51 -5.564 8.376 -5.471 1.00 11.51 H new ATOM 0 HG2 ARG A 51 -4.103 10.563 -6.998 1.00 63.32 H new ATOM 0 HG3 ARG A 51 -3.813 8.846 -7.192 1.00 63.32 H new ATOM 0 HD2 ARG A 51 -5.910 8.457 -8.182 1.00 1.31 H new ATOM 0 HD3 ARG A 51 -6.632 9.883 -7.465 1.00 1.31 H new ATOM 0 HE ARG A 51 -4.692 10.947 -9.116 1.00 41.32 H new ATOM 0 HH11 ARG A 51 -7.212 8.578 -9.626 1.00 53.32 H new ATOM 0 HH12 ARG A 51 -7.483 9.092 -11.294 1.00 53.32 H new ATOM 0 HH21 ARG A 51 -5.093 11.588 -11.196 1.00 43.11 H new ATOM 0 HH22 ARG A 51 -6.315 10.752 -12.159 1.00 43.11 H new ATOM 798 N ALA A 52 -5.930 9.756 -2.655 1.00 24.51 N ATOM 799 CA ALA A 52 -6.466 9.269 -1.384 1.00 13.21 C ATOM 800 C ALA A 52 -7.499 10.243 -0.792 1.00 21.22 C ATOM 801 O ALA A 52 -8.556 9.827 -0.317 1.00 11.23 O ATOM 802 CB ALA A 52 -5.329 9.019 -0.404 1.00 62.02 C ATOM 0 H ALA A 52 -4.927 9.943 -2.645 1.00 24.51 H new ATOM 0 HA ALA A 52 -6.984 8.329 -1.572 1.00 13.21 H new ATOM 0 HB1 ALA A 52 -5.736 8.657 0.540 1.00 62.02 H new ATOM 0 HB2 ALA A 52 -4.650 8.273 -0.817 1.00 62.02 H new ATOM 0 HB3 ALA A 52 -4.786 9.948 -0.232 1.00 62.02 H new ATOM 808 N SER A 53 -7.194 11.541 -0.847 1.00 74.23 N ATOM 809 CA SER A 53 -8.096 12.587 -0.319 1.00 52.01 C ATOM 810 C SER A 53 -9.462 12.591 -1.024 1.00 45.21 C ATOM 811 O SER A 53 -10.469 13.006 -0.447 1.00 22.41 O ATOM 812 CB SER A 53 -7.451 13.974 -0.467 1.00 15.22 C ATOM 813 OG SER A 53 -8.299 15.005 0.032 1.00 2.22 O ATOM 0 H SER A 53 -6.330 11.901 -1.251 1.00 74.23 H new ATOM 0 HA SER A 53 -8.259 12.359 0.734 1.00 52.01 H new ATOM 0 HB2 SER A 53 -6.502 13.993 0.068 1.00 15.22 H new ATOM 0 HB3 SER A 53 -7.229 14.162 -1.517 1.00 15.22 H new ATOM 0 HG SER A 53 -7.857 15.873 -0.076 1.00 2.22 H new ATOM 819 N SER A 54 -9.492 12.133 -2.273 1.00 44.42 N ATOM 820 CA SER A 54 -10.725 12.133 -3.077 1.00 50.24 C ATOM 821 C SER A 54 -11.707 11.020 -2.656 1.00 41.21 C ATOM 822 O SER A 54 -12.908 11.101 -2.933 1.00 75.53 O ATOM 823 CB SER A 54 -10.380 11.981 -4.568 1.00 51.24 C ATOM 824 OG SER A 54 -11.545 11.957 -5.380 1.00 31.30 O ATOM 0 H SER A 54 -8.678 11.755 -2.757 1.00 44.42 H new ATOM 0 HA SER A 54 -11.220 13.088 -2.902 1.00 50.24 H new ATOM 0 HB2 SER A 54 -9.738 12.805 -4.878 1.00 51.24 H new ATOM 0 HB3 SER A 54 -9.814 11.062 -4.718 1.00 51.24 H new ATOM 0 HG SER A 54 -11.286 11.861 -6.320 1.00 31.30 H new ATOM 830 N SER A 55 -11.204 9.988 -1.974 1.00 40.42 N ATOM 831 CA SER A 55 -12.039 8.830 -1.599 1.00 15.14 C ATOM 832 C SER A 55 -11.859 8.420 -0.127 1.00 65.23 C ATOM 833 O SER A 55 -12.827 8.347 0.634 1.00 65.43 O ATOM 834 CB SER A 55 -11.714 7.619 -2.493 1.00 61.45 C ATOM 835 OG SER A 55 -11.891 7.916 -3.873 1.00 23.20 O ATOM 0 H SER A 55 -10.233 9.924 -1.670 1.00 40.42 H new ATOM 0 HA SER A 55 -13.074 9.141 -1.740 1.00 15.14 H new ATOM 0 HB2 SER A 55 -10.685 7.305 -2.318 1.00 61.45 H new ATOM 0 HB3 SER A 55 -12.355 6.781 -2.217 1.00 61.45 H new ATOM 0 HG SER A 55 -11.674 7.124 -4.408 1.00 23.20 H new ATOM 841 N LEU A 56 -10.612 8.172 0.264 1.00 0.30 N ATOM 842 CA LEU A 56 -10.292 7.546 1.555 1.00 63.25 C ATOM 843 C LEU A 56 -10.554 8.458 2.767 1.00 2.52 C ATOM 844 O LEU A 56 -10.501 9.686 2.672 1.00 13.44 O ATOM 845 CB LEU A 56 -8.824 7.106 1.555 1.00 40.41 C ATOM 846 CG LEU A 56 -8.457 6.081 0.476 1.00 63.52 C ATOM 847 CD1 LEU A 56 -6.970 5.748 0.532 1.00 21.12 C ATOM 848 CD2 LEU A 56 -9.303 4.821 0.630 1.00 11.21 C ATOM 0 H LEU A 56 -9.792 8.397 -0.300 1.00 0.30 H new ATOM 0 HA LEU A 56 -10.959 6.690 1.661 1.00 63.25 H new ATOM 0 HB2 LEU A 56 -8.196 7.987 1.427 1.00 40.41 H new ATOM 0 HB3 LEU A 56 -8.586 6.685 2.532 1.00 40.41 H new ATOM 0 HG LEU A 56 -8.667 6.517 -0.501 1.00 63.52 H new ATOM 0 HD11 LEU A 56 -6.731 5.019 -0.242 1.00 21.12 H new ATOM 0 HD12 LEU A 56 -6.388 6.655 0.369 1.00 21.12 H new ATOM 0 HD13 LEU A 56 -6.727 5.332 1.510 1.00 21.12 H new ATOM 0 HD21 LEU A 56 -9.030 4.103 -0.143 1.00 11.21 H new ATOM 0 HD22 LEU A 56 -9.126 4.382 1.612 1.00 11.21 H new ATOM 0 HD23 LEU A 56 -10.358 5.077 0.532 1.00 11.21 H new ATOM 860 N GLU A 57 -10.832 7.830 3.906 1.00 2.43 N ATOM 861 CA GLU A 57 -11.000 8.531 5.178 1.00 70.04 C ATOM 862 C GLU A 57 -9.645 8.752 5.868 1.00 43.05 C ATOM 863 O GLU A 57 -8.724 7.948 5.724 1.00 14.14 O ATOM 864 CB GLU A 57 -11.921 7.719 6.089 1.00 30.31 C ATOM 865 CG GLU A 57 -12.126 8.320 7.467 1.00 41.23 C ATOM 866 CD GLU A 57 -12.717 9.720 7.433 1.00 70.53 C ATOM 867 OE1 GLU A 57 -13.856 9.884 6.950 1.00 34.34 O ATOM 868 OE2 GLU A 57 -12.038 10.661 7.888 1.00 75.51 O ATOM 0 H GLU A 57 -10.948 6.819 3.974 1.00 2.43 H new ATOM 0 HA GLU A 57 -11.444 9.507 4.981 1.00 70.04 H new ATOM 0 HB2 GLU A 57 -12.891 7.613 5.604 1.00 30.31 H new ATOM 0 HB3 GLU A 57 -11.510 6.716 6.201 1.00 30.31 H new ATOM 0 HG2 GLU A 57 -12.783 7.670 8.045 1.00 41.23 H new ATOM 0 HG3 GLU A 57 -11.169 8.350 7.988 1.00 41.23 H new ATOM 875 N LYS A 58 -9.536 9.828 6.638 1.00 34.22 N ATOM 876 CA LYS A 58 -8.295 10.143 7.351 1.00 12.44 C ATOM 877 C LYS A 58 -8.060 9.150 8.496 1.00 11.15 C ATOM 878 O LYS A 58 -6.923 8.785 8.806 1.00 34.21 O ATOM 879 CB LYS A 58 -8.355 11.581 7.888 1.00 2.22 C ATOM 880 CG LYS A 58 -8.506 12.639 6.793 1.00 12.54 C ATOM 881 CD LYS A 58 -7.238 12.787 5.953 1.00 35.35 C ATOM 882 CE LYS A 58 -7.458 13.665 4.726 1.00 5.53 C ATOM 883 NZ LYS A 58 -7.992 15.006 5.079 1.00 74.55 N ATOM 0 H LYS A 58 -10.289 10.499 6.787 1.00 34.22 H new ATOM 0 HA LYS A 58 -7.460 10.059 6.656 1.00 12.44 H new ATOM 0 HB2 LYS A 58 -9.192 11.666 8.581 1.00 2.22 H new ATOM 0 HB3 LYS A 58 -7.448 11.786 8.456 1.00 2.22 H new ATOM 0 HG2 LYS A 58 -9.340 12.371 6.144 1.00 12.54 H new ATOM 0 HG3 LYS A 58 -8.752 13.598 7.249 1.00 12.54 H new ATOM 0 HD2 LYS A 58 -6.446 13.216 6.567 1.00 35.35 H new ATOM 0 HD3 LYS A 58 -6.897 11.801 5.636 1.00 35.35 H new ATOM 0 HE2 LYS A 58 -6.515 13.781 4.192 1.00 5.53 H new ATOM 0 HE3 LYS A 58 -8.150 13.168 4.046 1.00 5.53 H new ATOM 0 HZ1 LYS A 58 -7.982 15.616 4.237 1.00 74.55 H new ATOM 0 HZ2 LYS A 58 -8.968 14.911 5.426 1.00 74.55 H new ATOM 0 HZ3 LYS A 58 -7.401 15.431 5.822 1.00 74.55 H new ATOM 897 N SER A 59 -9.150 8.685 9.099 1.00 20.45 N ATOM 898 CA SER A 59 -9.069 7.767 10.246 1.00 12.15 C ATOM 899 C SER A 59 -9.096 6.300 9.802 1.00 12.32 C ATOM 900 O SER A 59 -9.043 5.389 10.629 1.00 45.24 O ATOM 901 CB SER A 59 -10.216 8.038 11.231 1.00 3.13 C ATOM 902 OG SER A 59 -11.485 7.892 10.608 1.00 75.03 O ATOM 0 H SER A 59 -10.101 8.924 8.818 1.00 20.45 H new ATOM 0 HA SER A 59 -8.116 7.949 10.743 1.00 12.15 H new ATOM 0 HB2 SER A 59 -10.143 7.351 12.074 1.00 3.13 H new ATOM 0 HB3 SER A 59 -10.121 9.047 11.633 1.00 3.13 H new ATOM 0 HG SER A 59 -12.193 8.069 11.262 1.00 75.03 H new ATOM 908 N ARG A 60 -9.160 6.076 8.490 1.00 23.23 N ATOM 909 CA ARG A 60 -9.181 4.719 7.935 1.00 61.03 C ATOM 910 C ARG A 60 -7.790 4.068 7.982 1.00 74.13 C ATOM 911 O ARG A 60 -6.802 4.657 7.551 1.00 2.21 O ATOM 912 CB ARG A 60 -9.708 4.747 6.489 1.00 35.20 C ATOM 913 CG ARG A 60 -9.555 3.425 5.730 1.00 41.43 C ATOM 914 CD ARG A 60 -10.171 2.246 6.481 1.00 21.44 C ATOM 915 NE ARG A 60 -11.605 2.410 6.701 1.00 24.15 N ATOM 916 CZ ARG A 60 -12.248 1.938 7.739 1.00 14.11 C ATOM 917 NH1 ARG A 60 -11.633 1.248 8.649 1.00 23.35 N ATOM 918 NH2 ARG A 60 -13.518 2.144 7.850 1.00 54.51 N ATOM 0 H ARG A 60 -9.198 6.816 7.789 1.00 23.23 H new ATOM 0 HA ARG A 60 -9.850 4.116 8.549 1.00 61.03 H new ATOM 0 HB2 ARG A 60 -10.763 5.022 6.506 1.00 35.20 H new ATOM 0 HB3 ARG A 60 -9.184 5.529 5.940 1.00 35.20 H new ATOM 0 HG2 ARG A 60 -10.026 3.515 4.751 1.00 41.43 H new ATOM 0 HG3 ARG A 60 -8.497 3.229 5.557 1.00 41.43 H new ATOM 0 HD2 ARG A 60 -9.996 1.329 5.918 1.00 21.44 H new ATOM 0 HD3 ARG A 60 -9.670 2.130 7.442 1.00 21.44 H new ATOM 0 HE ARG A 60 -12.140 2.925 6.002 1.00 24.15 H new ATOM 0 HH11 ARG A 60 -10.633 1.066 8.562 1.00 23.35 H new ATOM 0 HH12 ARG A 60 -12.149 0.888 9.452 1.00 23.35 H new ATOM 0 HH21 ARG A 60 -14.014 2.672 7.131 1.00 54.51 H new ATOM 0 HH22 ARG A 60 -14.025 1.779 8.656 1.00 54.51 H new ATOM 932 N ASP A 61 -7.731 2.852 8.518 1.00 10.12 N ATOM 933 CA ASP A 61 -6.493 2.066 8.547 1.00 24.30 C ATOM 934 C ASP A 61 -6.008 1.721 7.122 1.00 21.21 C ATOM 935 O ASP A 61 -6.597 0.898 6.416 1.00 54.14 O ATOM 936 CB ASP A 61 -6.692 0.799 9.396 1.00 74.33 C ATOM 937 CG ASP A 61 -8.019 0.104 9.127 1.00 51.24 C ATOM 938 OD1 ASP A 61 -9.075 0.691 9.461 1.00 24.34 O ATOM 939 OD2 ASP A 61 -8.018 -1.019 8.595 1.00 72.13 O ATOM 0 H ASP A 61 -8.531 2.383 8.942 1.00 10.12 H new ATOM 0 HA ASP A 61 -5.713 2.671 9.009 1.00 24.30 H new ATOM 0 HB2 ASP A 61 -5.877 0.103 9.197 1.00 74.33 H new ATOM 0 HB3 ASP A 61 -6.634 1.063 10.452 1.00 74.33 H new ATOM 944 N ILE A 62 -4.932 2.384 6.703 1.00 44.45 N ATOM 945 CA ILE A 62 -4.383 2.225 5.353 1.00 11.44 C ATOM 946 C ILE A 62 -2.993 1.568 5.367 1.00 14.11 C ATOM 947 O ILE A 62 -2.092 2.003 6.086 1.00 65.04 O ATOM 948 CB ILE A 62 -4.282 3.600 4.648 1.00 24.22 C ATOM 949 CG1 ILE A 62 -5.678 4.238 4.520 1.00 72.13 C ATOM 950 CG2 ILE A 62 -3.614 3.471 3.282 1.00 64.11 C ATOM 951 CD1 ILE A 62 -5.669 5.636 3.931 1.00 4.42 C ATOM 0 H ILE A 62 -4.416 3.044 7.285 1.00 44.45 H new ATOM 0 HA ILE A 62 -5.065 1.572 4.808 1.00 11.44 H new ATOM 0 HB ILE A 62 -3.658 4.252 5.259 1.00 24.22 H new ATOM 0 HG12 ILE A 62 -6.303 3.597 3.898 1.00 72.13 H new ATOM 0 HG13 ILE A 62 -6.141 4.274 5.506 1.00 72.13 H new ATOM 0 HG21 ILE A 62 -3.557 4.452 2.811 1.00 64.11 H new ATOM 0 HG22 ILE A 62 -2.608 3.069 3.405 1.00 64.11 H new ATOM 0 HG23 ILE A 62 -4.199 2.800 2.653 1.00 64.11 H new ATOM 0 HD11 ILE A 62 -6.690 6.014 3.875 1.00 4.42 H new ATOM 0 HD12 ILE A 62 -5.073 6.294 4.564 1.00 4.42 H new ATOM 0 HD13 ILE A 62 -5.237 5.607 2.931 1.00 4.42 H new ATOM 963 N TYR A 63 -2.831 0.522 4.561 1.00 71.13 N ATOM 964 CA TYR A 63 -1.538 -0.147 4.390 1.00 30.14 C ATOM 965 C TYR A 63 -0.902 0.240 3.045 1.00 34.12 C ATOM 966 O TYR A 63 -1.442 -0.052 1.978 1.00 20.23 O ATOM 967 CB TYR A 63 -1.706 -1.671 4.482 1.00 31.23 C ATOM 968 CG TYR A 63 -2.235 -2.145 5.825 1.00 13.50 C ATOM 969 CD1 TYR A 63 -1.376 -2.353 6.899 1.00 42.13 C ATOM 970 CD2 TYR A 63 -3.592 -2.381 6.018 1.00 73.12 C ATOM 971 CE1 TYR A 63 -1.854 -2.783 8.123 1.00 31.02 C ATOM 972 CE2 TYR A 63 -4.075 -2.812 7.238 1.00 60.44 C ATOM 973 CZ TYR A 63 -3.205 -3.009 8.287 1.00 51.45 C ATOM 974 OH TYR A 63 -3.686 -3.432 9.503 1.00 72.44 O ATOM 0 H TYR A 63 -3.586 0.114 4.009 1.00 71.13 H new ATOM 0 HA TYR A 63 -0.875 0.179 5.191 1.00 30.14 H new ATOM 0 HB2 TYR A 63 -2.386 -2.001 3.696 1.00 31.23 H new ATOM 0 HB3 TYR A 63 -0.744 -2.146 4.292 1.00 31.23 H new ATOM 0 HD1 TYR A 63 -0.318 -2.176 6.775 1.00 42.13 H new ATOM 0 HD2 TYR A 63 -4.280 -2.225 5.200 1.00 73.12 H new ATOM 0 HE1 TYR A 63 -1.173 -2.941 8.946 1.00 31.02 H new ATOM 0 HE2 TYR A 63 -5.131 -2.994 7.369 1.00 60.44 H new ATOM 0 HH TYR A 63 -3.665 -2.688 10.140 1.00 72.44 H new ATOM 984 N VAL A 64 0.245 0.905 3.107 1.00 21.41 N ATOM 985 CA VAL A 64 0.922 1.420 1.909 1.00 12.43 C ATOM 986 C VAL A 64 2.148 0.576 1.541 1.00 32.41 C ATOM 987 O VAL A 64 2.940 0.208 2.410 1.00 72.41 O ATOM 988 CB VAL A 64 1.363 2.887 2.137 1.00 41.34 C ATOM 989 CG1 VAL A 64 2.182 3.412 0.960 1.00 3.34 C ATOM 990 CG2 VAL A 64 0.148 3.774 2.395 1.00 22.45 C ATOM 0 H VAL A 64 0.734 1.105 3.979 1.00 21.41 H new ATOM 0 HA VAL A 64 0.211 1.367 1.085 1.00 12.43 H new ATOM 0 HB VAL A 64 2.004 2.913 3.018 1.00 41.34 H new ATOM 0 HG11 VAL A 64 2.475 4.444 1.152 1.00 3.34 H new ATOM 0 HG12 VAL A 64 3.074 2.798 0.835 1.00 3.34 H new ATOM 0 HG13 VAL A 64 1.582 3.369 0.051 1.00 3.34 H new ATOM 0 HG21 VAL A 64 0.475 4.802 2.553 1.00 22.45 H new ATOM 0 HG22 VAL A 64 -0.521 3.734 1.535 1.00 22.45 H new ATOM 0 HG23 VAL A 64 -0.379 3.420 3.281 1.00 22.45 H new ATOM 1000 N TYR A 65 2.311 0.273 0.250 1.00 74.24 N ATOM 1001 CA TYR A 65 3.479 -0.478 -0.209 1.00 10.44 C ATOM 1002 C TYR A 65 4.089 0.135 -1.484 1.00 63.52 C ATOM 1003 O TYR A 65 3.384 0.439 -2.452 1.00 30.22 O ATOM 1004 CB TYR A 65 3.123 -1.958 -0.428 1.00 61.20 C ATOM 1005 CG TYR A 65 2.296 -2.258 -1.672 1.00 0.12 C ATOM 1006 CD1 TYR A 65 0.981 -1.821 -1.799 1.00 12.03 C ATOM 1007 CD2 TYR A 65 2.838 -2.993 -2.718 1.00 3.20 C ATOM 1008 CE1 TYR A 65 0.238 -2.114 -2.929 1.00 54.14 C ATOM 1009 CE2 TYR A 65 2.102 -3.291 -3.847 1.00 61.11 C ATOM 1010 CZ TYR A 65 0.804 -2.849 -3.948 1.00 34.23 C ATOM 1011 OH TYR A 65 0.065 -3.149 -5.071 1.00 71.42 O ATOM 0 H TYR A 65 1.656 0.533 -0.487 1.00 74.24 H new ATOM 0 HA TYR A 65 4.235 -0.417 0.574 1.00 10.44 H new ATOM 0 HB2 TYR A 65 4.048 -2.532 -0.481 1.00 61.20 H new ATOM 0 HB3 TYR A 65 2.576 -2.315 0.445 1.00 61.20 H new ATOM 0 HD1 TYR A 65 0.533 -1.244 -1.003 1.00 12.03 H new ATOM 0 HD2 TYR A 65 3.858 -3.339 -2.647 1.00 3.20 H new ATOM 0 HE1 TYR A 65 -0.782 -1.768 -3.012 1.00 54.14 H new ATOM 0 HE2 TYR A 65 2.543 -3.868 -4.646 1.00 61.11 H new ATOM 0 HH TYR A 65 0.255 -2.492 -5.773 1.00 71.42 H new ATOM 1021 N GLY A 66 5.403 0.337 -1.453 1.00 72.21 N ATOM 1022 CA GLY A 66 6.137 0.827 -2.615 1.00 21.11 C ATOM 1023 C GLY A 66 7.078 -0.229 -3.187 1.00 51.32 C ATOM 1024 O GLY A 66 6.983 -1.407 -2.842 1.00 23.02 O ATOM 0 H GLY A 66 5.984 0.168 -0.632 1.00 72.21 H new ATOM 0 HA2 GLY A 66 5.431 1.138 -3.385 1.00 21.11 H new ATOM 0 HA3 GLY A 66 6.711 1.710 -2.335 1.00 21.11 H new ATOM 1028 N ALA A 67 7.981 0.186 -4.073 1.00 73.03 N ATOM 1029 CA ALA A 67 8.998 -0.722 -4.618 1.00 32.42 C ATOM 1030 C ALA A 67 10.062 -1.057 -3.559 1.00 11.20 C ATOM 1031 O ALA A 67 10.408 -2.220 -3.347 1.00 70.50 O ATOM 1032 CB ALA A 67 9.650 -0.109 -5.855 1.00 44.51 C ATOM 0 H ALA A 67 8.033 1.140 -4.430 1.00 73.03 H new ATOM 0 HA ALA A 67 8.505 -1.650 -4.907 1.00 32.42 H new ATOM 0 HB1 ALA A 67 10.402 -0.794 -6.247 1.00 44.51 H new ATOM 0 HB2 ALA A 67 8.890 0.070 -6.616 1.00 44.51 H new ATOM 0 HB3 ALA A 67 10.124 0.835 -5.586 1.00 44.51 H new ATOM 1038 N GLY A 68 10.573 -0.017 -2.897 1.00 24.13 N ATOM 1039 CA GLY A 68 11.545 -0.198 -1.819 1.00 21.24 C ATOM 1040 C GLY A 68 11.095 0.450 -0.511 1.00 42.44 C ATOM 1041 O GLY A 68 10.062 1.128 -0.468 1.00 25.44 O ATOM 0 H GLY A 68 10.331 0.955 -3.088 1.00 24.13 H new ATOM 0 HA2 GLY A 68 11.708 -1.263 -1.656 1.00 21.24 H new ATOM 0 HA3 GLY A 68 12.502 0.228 -2.121 1.00 21.24 H new ATOM 1045 N ASP A 69 11.869 0.247 0.557 1.00 43.12 N ATOM 1046 CA ASP A 69 11.553 0.817 1.877 1.00 32.25 C ATOM 1047 C ASP A 69 11.388 2.347 1.804 1.00 34.42 C ATOM 1048 O ASP A 69 10.455 2.911 2.379 1.00 4.44 O ATOM 1049 CB ASP A 69 12.657 0.457 2.880 1.00 5.34 C ATOM 1050 CG ASP A 69 12.843 -1.046 3.022 1.00 54.32 C ATOM 1051 OD1 ASP A 69 13.271 -1.697 2.042 1.00 53.01 O ATOM 1052 OD2 ASP A 69 12.561 -1.587 4.111 1.00 1.33 O ATOM 0 H ASP A 69 12.724 -0.310 0.537 1.00 43.12 H new ATOM 0 HA ASP A 69 10.606 0.392 2.209 1.00 32.25 H new ATOM 0 HB2 ASP A 69 13.596 0.908 2.560 1.00 5.34 H new ATOM 0 HB3 ASP A 69 12.414 0.884 3.853 1.00 5.34 H new ATOM 1057 N GLU A 70 12.286 3.003 1.067 1.00 24.40 N ATOM 1058 CA GLU A 70 12.252 4.465 0.909 1.00 54.11 C ATOM 1059 C GLU A 70 10.900 4.950 0.356 1.00 33.02 C ATOM 1060 O GLU A 70 10.231 5.778 0.971 1.00 42.40 O ATOM 1061 CB GLU A 70 13.389 4.908 -0.031 1.00 32.31 C ATOM 1062 CG GLU A 70 13.332 6.375 -0.462 1.00 43.31 C ATOM 1063 CD GLU A 70 13.528 7.353 0.687 1.00 44.40 C ATOM 1064 OE1 GLU A 70 14.692 7.666 1.014 1.00 35.45 O ATOM 1065 OE2 GLU A 70 12.529 7.823 1.262 1.00 70.32 O ATOM 0 H GLU A 70 13.049 2.547 0.567 1.00 24.40 H new ATOM 0 HA GLU A 70 12.386 4.912 1.894 1.00 54.11 H new ATOM 0 HB2 GLU A 70 14.343 4.727 0.465 1.00 32.31 H new ATOM 0 HB3 GLU A 70 13.369 4.281 -0.923 1.00 32.31 H new ATOM 0 HG2 GLU A 70 14.099 6.554 -1.216 1.00 43.31 H new ATOM 0 HG3 GLU A 70 12.369 6.570 -0.934 1.00 43.31 H new ATOM 1072 N GLN A 71 10.483 4.395 -0.780 1.00 64.32 N ATOM 1073 CA GLN A 71 9.228 4.809 -1.427 1.00 51.34 C ATOM 1074 C GLN A 71 8.012 4.493 -0.544 1.00 23.43 C ATOM 1075 O GLN A 71 7.072 5.283 -0.443 1.00 23.25 O ATOM 1076 CB GLN A 71 9.078 4.114 -2.786 1.00 15.23 C ATOM 1077 CG GLN A 71 7.867 4.578 -3.591 1.00 1.34 C ATOM 1078 CD GLN A 71 7.794 3.934 -4.964 1.00 4.51 C ATOM 1079 OE1 GLN A 71 8.223 2.800 -5.154 1.00 74.44 O ATOM 1080 NE2 GLN A 71 7.258 4.650 -5.931 1.00 54.12 N ATOM 0 H GLN A 71 10.989 3.660 -1.274 1.00 64.32 H new ATOM 0 HA GLN A 71 9.270 5.888 -1.575 1.00 51.34 H new ATOM 0 HB2 GLN A 71 9.980 4.288 -3.373 1.00 15.23 H new ATOM 0 HB3 GLN A 71 9.005 3.038 -2.626 1.00 15.23 H new ATOM 0 HG2 GLN A 71 6.957 4.347 -3.037 1.00 1.34 H new ATOM 0 HG3 GLN A 71 7.905 5.661 -3.704 1.00 1.34 H new ATOM 0 HE21 GLN A 71 6.911 5.590 -5.738 1.00 54.12 H new ATOM 0 HE22 GLN A 71 7.190 4.265 -6.873 1.00 54.12 H new ATOM 1089 N THR A 72 8.051 3.332 0.100 1.00 62.45 N ATOM 1090 CA THR A 72 6.962 2.887 0.978 1.00 71.25 C ATOM 1091 C THR A 72 6.773 3.834 2.174 1.00 72.31 C ATOM 1092 O THR A 72 5.681 4.360 2.400 1.00 52.23 O ATOM 1093 CB THR A 72 7.235 1.455 1.506 1.00 11.25 C ATOM 1094 OG1 THR A 72 7.435 0.555 0.403 1.00 31.41 O ATOM 1095 CG2 THR A 72 6.086 0.945 2.368 1.00 44.02 C ATOM 0 H THR A 72 8.828 2.674 0.033 1.00 62.45 H new ATOM 0 HA THR A 72 6.050 2.892 0.381 1.00 71.25 H new ATOM 0 HB THR A 72 8.133 1.497 2.122 1.00 11.25 H new ATOM 0 HG1 THR A 72 8.333 0.687 0.032 1.00 31.41 H new ATOM 0 HG21 THR A 72 6.314 -0.061 2.720 1.00 44.02 H new ATOM 0 HG22 THR A 72 5.952 1.607 3.224 1.00 44.02 H new ATOM 0 HG23 THR A 72 5.170 0.924 1.778 1.00 44.02 H new ATOM 1103 N SER A 73 7.851 4.069 2.919 1.00 4.11 N ATOM 1104 CA SER A 73 7.797 4.899 4.133 1.00 35.34 C ATOM 1105 C SER A 73 7.546 6.377 3.808 1.00 45.24 C ATOM 1106 O SER A 73 6.806 7.065 4.518 1.00 33.32 O ATOM 1107 CB SER A 73 9.102 4.763 4.926 1.00 53.30 C ATOM 1108 OG SER A 73 9.029 5.458 6.162 1.00 54.43 O ATOM 0 H SER A 73 8.777 3.698 2.707 1.00 4.11 H new ATOM 0 HA SER A 73 6.961 4.540 4.733 1.00 35.34 H new ATOM 0 HB2 SER A 73 9.310 3.709 5.111 1.00 53.30 H new ATOM 0 HB3 SER A 73 9.931 5.153 4.336 1.00 53.30 H new ATOM 0 HG SER A 73 8.392 5.006 6.754 1.00 54.43 H new ATOM 1114 N GLN A 74 8.154 6.858 2.727 1.00 24.31 N ATOM 1115 CA GLN A 74 8.039 8.246 2.315 1.00 4.10 C ATOM 1116 C GLN A 74 6.603 8.584 1.879 1.00 23.23 C ATOM 1117 O GLN A 74 6.093 9.667 2.169 1.00 43.23 O ATOM 1118 CB GLN A 74 9.040 8.494 1.183 1.00 34.51 C ATOM 1119 CG GLN A 74 8.812 9.777 0.420 1.00 3.11 C ATOM 1120 CD GLN A 74 9.815 9.992 -0.705 1.00 53.05 C ATOM 1121 OE1 GLN A 74 9.512 10.630 -1.706 1.00 11.44 O ATOM 1122 NE2 GLN A 74 11.016 9.466 -0.557 1.00 73.15 N ATOM 0 H GLN A 74 8.740 6.292 2.114 1.00 24.31 H new ATOM 0 HA GLN A 74 8.268 8.900 3.157 1.00 4.10 H new ATOM 0 HB2 GLN A 74 10.047 8.508 1.601 1.00 34.51 H new ATOM 0 HB3 GLN A 74 8.996 7.658 0.485 1.00 34.51 H new ATOM 0 HG2 GLN A 74 7.805 9.770 0.004 1.00 3.11 H new ATOM 0 HG3 GLN A 74 8.866 10.618 1.112 1.00 3.11 H new ATOM 0 HE21 GLN A 74 11.242 8.939 0.287 1.00 73.15 H new ATOM 0 HE22 GLN A 74 11.719 9.586 -1.286 1.00 73.15 H new ATOM 1131 N ALA A 75 5.952 7.648 1.193 1.00 12.51 N ATOM 1132 CA ALA A 75 4.548 7.812 0.805 1.00 65.41 C ATOM 1133 C ALA A 75 3.638 7.910 2.038 1.00 55.12 C ATOM 1134 O ALA A 75 2.750 8.764 2.106 1.00 3.40 O ATOM 1135 CB ALA A 75 4.117 6.654 -0.081 1.00 11.22 C ATOM 0 H ALA A 75 6.371 6.768 0.893 1.00 12.51 H new ATOM 0 HA ALA A 75 4.454 8.744 0.247 1.00 65.41 H new ATOM 0 HB1 ALA A 75 3.073 6.783 -0.365 1.00 11.22 H new ATOM 0 HB2 ALA A 75 4.737 6.631 -0.977 1.00 11.22 H new ATOM 0 HB3 ALA A 75 4.232 5.717 0.464 1.00 11.22 H new ATOM 1141 N VAL A 76 3.860 7.023 3.005 1.00 41.44 N ATOM 1142 CA VAL A 76 3.159 7.086 4.297 1.00 71.12 C ATOM 1143 C VAL A 76 3.306 8.476 4.944 1.00 32.52 C ATOM 1144 O VAL A 76 2.348 9.020 5.501 1.00 3.52 O ATOM 1145 CB VAL A 76 3.689 6.002 5.269 1.00 23.45 C ATOM 1146 CG1 VAL A 76 3.067 6.144 6.659 1.00 54.41 C ATOM 1147 CG2 VAL A 76 3.427 4.611 4.704 1.00 72.24 C ATOM 0 H VAL A 76 4.519 6.249 2.924 1.00 41.44 H new ATOM 0 HA VAL A 76 2.103 6.901 4.101 1.00 71.12 H new ATOM 0 HB VAL A 76 4.765 6.143 5.373 1.00 23.45 H new ATOM 0 HG11 VAL A 76 3.461 5.368 7.315 1.00 54.41 H new ATOM 0 HG12 VAL A 76 3.312 7.124 7.069 1.00 54.41 H new ATOM 0 HG13 VAL A 76 1.984 6.042 6.585 1.00 54.41 H new ATOM 0 HG21 VAL A 76 3.805 3.860 5.397 1.00 72.24 H new ATOM 0 HG22 VAL A 76 2.355 4.471 4.565 1.00 72.24 H new ATOM 0 HG23 VAL A 76 3.934 4.507 3.745 1.00 72.24 H new ATOM 1157 N ASN A 77 4.512 9.038 4.862 1.00 24.12 N ATOM 1158 CA ASN A 77 4.774 10.406 5.335 1.00 65.22 C ATOM 1159 C ASN A 77 3.808 11.402 4.681 1.00 65.15 C ATOM 1160 O ASN A 77 3.156 12.199 5.353 1.00 34.24 O ATOM 1161 CB ASN A 77 6.210 10.810 4.986 1.00 11.10 C ATOM 1162 CG ASN A 77 6.611 12.145 5.584 1.00 32.41 C ATOM 1163 OD1 ASN A 77 6.166 12.515 6.663 1.00 15.53 O ATOM 1164 ND2 ASN A 77 7.440 12.887 4.877 1.00 54.11 N ATOM 0 H ASN A 77 5.329 8.568 4.471 1.00 24.12 H new ATOM 0 HA ASN A 77 4.631 10.425 6.415 1.00 65.22 H new ATOM 0 HB2 ASN A 77 6.895 10.039 5.340 1.00 11.10 H new ATOM 0 HB3 ASN A 77 6.315 10.857 3.902 1.00 11.10 H new ATOM 0 HD21 ASN A 77 7.730 13.801 5.225 1.00 54.11 H new ATOM 0 HD22 ASN A 77 7.791 12.547 3.982 1.00 54.11 H new ATOM 1171 N LEU A 78 3.731 11.330 3.359 1.00 50.11 N ATOM 1172 CA LEU A 78 2.874 12.212 2.561 1.00 30.41 C ATOM 1173 C LEU A 78 1.396 12.098 2.973 1.00 3.34 C ATOM 1174 O LEU A 78 0.693 13.105 3.081 1.00 34.11 O ATOM 1175 CB LEU A 78 3.060 11.858 1.081 1.00 35.15 C ATOM 1176 CG LEU A 78 4.509 12.001 0.578 1.00 13.44 C ATOM 1177 CD1 LEU A 78 4.704 11.292 -0.753 1.00 64.14 C ATOM 1178 CD2 LEU A 78 4.906 13.472 0.469 1.00 60.31 C ATOM 0 H LEU A 78 4.261 10.658 2.803 1.00 50.11 H new ATOM 0 HA LEU A 78 3.165 13.248 2.736 1.00 30.41 H new ATOM 0 HB2 LEU A 78 2.730 10.832 0.920 1.00 35.15 H new ATOM 0 HB3 LEU A 78 2.414 12.499 0.481 1.00 35.15 H new ATOM 0 HG LEU A 78 5.161 11.524 1.310 1.00 13.44 H new ATOM 0 HD11 LEU A 78 5.737 11.411 -1.081 1.00 64.14 H new ATOM 0 HD12 LEU A 78 4.481 10.232 -0.636 1.00 64.14 H new ATOM 0 HD13 LEU A 78 4.035 11.724 -1.497 1.00 64.14 H new ATOM 0 HD21 LEU A 78 5.933 13.546 0.112 1.00 60.31 H new ATOM 0 HD22 LEU A 78 4.241 13.977 -0.231 1.00 60.31 H new ATOM 0 HD23 LEU A 78 4.828 13.944 1.449 1.00 60.31 H new ATOM 1190 N LEU A 79 0.934 10.871 3.219 1.00 50.51 N ATOM 1191 CA LEU A 79 -0.449 10.642 3.660 1.00 63.04 C ATOM 1192 C LEU A 79 -0.722 11.258 5.040 1.00 22.33 C ATOM 1193 O LEU A 79 -1.695 11.995 5.213 1.00 22.10 O ATOM 1194 CB LEU A 79 -0.772 9.142 3.675 1.00 60.10 C ATOM 1195 CG LEU A 79 -0.966 8.502 2.294 1.00 51.32 C ATOM 1196 CD1 LEU A 79 -1.161 6.995 2.426 1.00 25.03 C ATOM 1197 CD2 LEU A 79 -2.153 9.140 1.569 1.00 3.20 C ATOM 0 H LEU A 79 1.491 10.022 3.122 1.00 50.51 H new ATOM 0 HA LEU A 79 -1.102 11.139 2.942 1.00 63.04 H new ATOM 0 HB2 LEU A 79 0.033 8.618 4.191 1.00 60.10 H new ATOM 0 HB3 LEU A 79 -1.679 8.988 4.260 1.00 60.10 H new ATOM 0 HG LEU A 79 -0.068 8.680 1.702 1.00 51.32 H new ATOM 0 HD11 LEU A 79 -1.297 6.558 1.437 1.00 25.03 H new ATOM 0 HD12 LEU A 79 -0.284 6.555 2.900 1.00 25.03 H new ATOM 0 HD13 LEU A 79 -2.042 6.794 3.036 1.00 25.03 H new ATOM 0 HD21 LEU A 79 -2.276 8.674 0.591 1.00 3.20 H new ATOM 0 HD22 LEU A 79 -3.059 8.994 2.157 1.00 3.20 H new ATOM 0 HD23 LEU A 79 -1.971 10.207 1.442 1.00 3.20 H new ATOM 1209 N ARG A 80 0.129 10.964 6.027 1.00 73.34 N ATOM 1210 CA ARG A 80 -0.056 11.539 7.365 1.00 51.43 C ATOM 1211 C ARG A 80 0.143 13.063 7.342 1.00 12.30 C ATOM 1212 O ARG A 80 -0.458 13.790 8.135 1.00 42.44 O ATOM 1213 CB ARG A 80 0.865 10.879 8.403 1.00 13.41 C ATOM 1214 CG ARG A 80 2.358 11.056 8.154 1.00 64.43 C ATOM 1215 CD ARG A 80 3.182 10.539 9.333 1.00 71.33 C ATOM 1216 NE ARG A 80 2.998 9.103 9.564 1.00 5.24 N ATOM 1217 CZ ARG A 80 2.305 8.594 10.552 1.00 62.32 C ATOM 1218 NH1 ARG A 80 1.674 9.359 11.385 1.00 65.13 N ATOM 1219 NH2 ARG A 80 2.246 7.311 10.696 1.00 21.51 N ATOM 0 H ARG A 80 0.935 10.346 5.931 1.00 73.34 H new ATOM 0 HA ARG A 80 -1.083 11.334 7.667 1.00 51.43 H new ATOM 0 HB2 ARG A 80 0.627 11.285 9.386 1.00 13.41 H new ATOM 0 HB3 ARG A 80 0.643 9.812 8.436 1.00 13.41 H new ATOM 0 HG2 ARG A 80 2.643 10.524 7.247 1.00 64.43 H new ATOM 0 HG3 ARG A 80 2.579 12.110 7.988 1.00 64.43 H new ATOM 0 HD2 ARG A 80 4.237 10.741 9.150 1.00 71.33 H new ATOM 0 HD3 ARG A 80 2.904 11.087 10.234 1.00 71.33 H new ATOM 0 HE ARG A 80 3.440 8.456 8.911 1.00 5.24 H new ATOM 0 HH11 ARG A 80 1.713 10.372 11.276 1.00 65.13 H new ATOM 0 HH12 ARG A 80 1.138 8.948 12.150 1.00 65.13 H new ATOM 0 HH21 ARG A 80 2.737 6.701 10.042 1.00 21.51 H new ATOM 0 HH22 ARG A 80 1.708 6.908 11.463 1.00 21.51 H new ATOM 1233 N SER A 81 0.980 13.546 6.420 1.00 31.14 N ATOM 1234 CA SER A 81 1.115 14.993 6.181 1.00 72.02 C ATOM 1235 C SER A 81 -0.166 15.569 5.555 1.00 11.14 C ATOM 1236 O SER A 81 -0.453 16.756 5.689 1.00 71.41 O ATOM 1237 CB SER A 81 2.313 15.291 5.265 1.00 13.41 C ATOM 1238 OG SER A 81 2.444 16.687 5.013 1.00 41.11 O ATOM 0 H SER A 81 1.573 12.964 5.828 1.00 31.14 H new ATOM 0 HA SER A 81 1.282 15.469 7.147 1.00 72.02 H new ATOM 0 HB2 SER A 81 3.227 14.916 5.726 1.00 13.41 H new ATOM 0 HB3 SER A 81 2.191 14.760 4.321 1.00 13.41 H new ATOM 0 HG SER A 81 3.215 16.843 4.429 1.00 41.11 H new ATOM 1244 N ALA A 82 -0.925 14.717 4.862 1.00 45.11 N ATOM 1245 CA ALA A 82 -2.221 15.108 4.287 1.00 4.44 C ATOM 1246 C ALA A 82 -3.355 14.994 5.320 1.00 31.11 C ATOM 1247 O ALA A 82 -4.510 15.296 5.025 1.00 44.31 O ATOM 1248 CB ALA A 82 -2.537 14.251 3.065 1.00 10.35 C ATOM 0 H ALA A 82 -0.666 13.747 4.683 1.00 45.11 H new ATOM 0 HA ALA A 82 -2.148 16.152 3.984 1.00 4.44 H new ATOM 0 HB1 ALA A 82 -3.499 14.551 2.649 1.00 10.35 H new ATOM 0 HB2 ALA A 82 -1.759 14.387 2.314 1.00 10.35 H new ATOM 0 HB3 ALA A 82 -2.579 13.202 3.357 1.00 10.35 H new ATOM 1254 N GLY A 83 -3.021 14.549 6.532 1.00 31.40 N ATOM 1255 CA GLY A 83 -4.012 14.448 7.602 1.00 70.11 C ATOM 1256 C GLY A 83 -4.432 13.015 7.923 1.00 54.40 C ATOM 1257 O GLY A 83 -5.039 12.765 8.962 1.00 55.02 O ATOM 0 H GLY A 83 -2.080 14.255 6.795 1.00 31.40 H new ATOM 0 HA2 GLY A 83 -3.607 14.908 8.503 1.00 70.11 H new ATOM 0 HA3 GLY A 83 -4.896 15.021 7.321 1.00 70.11 H new ATOM 1261 N PHE A 84 -4.138 12.078 7.019 1.00 14.35 N ATOM 1262 CA PHE A 84 -4.462 10.662 7.240 1.00 71.21 C ATOM 1263 C PHE A 84 -3.869 10.138 8.561 1.00 35.42 C ATOM 1264 O PHE A 84 -2.665 9.909 8.683 1.00 64.34 O ATOM 1265 CB PHE A 84 -3.990 9.802 6.061 1.00 51.21 C ATOM 1266 CG PHE A 84 -4.779 10.025 4.792 1.00 72.41 C ATOM 1267 CD1 PHE A 84 -5.920 9.280 4.526 1.00 2.13 C ATOM 1268 CD2 PHE A 84 -4.381 10.980 3.867 1.00 32.42 C ATOM 1269 CE1 PHE A 84 -6.645 9.483 3.368 1.00 62.54 C ATOM 1270 CE2 PHE A 84 -5.102 11.187 2.707 1.00 22.12 C ATOM 1271 CZ PHE A 84 -6.237 10.437 2.460 1.00 5.34 C ATOM 0 H PHE A 84 -3.678 12.270 6.129 1.00 14.35 H new ATOM 0 HA PHE A 84 -5.547 10.587 7.313 1.00 71.21 H new ATOM 0 HB2 PHE A 84 -2.939 10.014 5.866 1.00 51.21 H new ATOM 0 HB3 PHE A 84 -4.057 8.750 6.340 1.00 51.21 H new ATOM 0 HD1 PHE A 84 -6.245 8.532 5.234 1.00 2.13 H new ATOM 0 HD2 PHE A 84 -3.496 11.569 4.057 1.00 32.42 H new ATOM 0 HE1 PHE A 84 -7.530 8.895 3.174 1.00 62.54 H new ATOM 0 HE2 PHE A 84 -4.780 11.933 1.995 1.00 22.12 H new ATOM 0 HZ PHE A 84 -6.804 10.599 1.555 1.00 5.34 H new ATOM 1281 N GLU A 85 -4.748 9.964 9.539 1.00 42.44 N ATOM 1282 CA GLU A 85 -4.386 9.521 10.886 1.00 42.14 C ATOM 1283 C GLU A 85 -3.800 8.099 10.898 1.00 0.41 C ATOM 1284 O GLU A 85 -2.715 7.870 11.435 1.00 14.33 O ATOM 1285 CB GLU A 85 -5.636 9.570 11.778 1.00 12.42 C ATOM 1286 CG GLU A 85 -6.283 10.951 11.861 1.00 55.21 C ATOM 1287 CD GLU A 85 -7.677 10.909 12.465 1.00 70.33 C ATOM 1288 OE1 GLU A 85 -7.798 10.929 13.710 1.00 72.04 O ATOM 1289 OE2 GLU A 85 -8.658 10.846 11.698 1.00 72.43 O ATOM 0 H GLU A 85 -5.748 10.128 9.421 1.00 42.44 H new ATOM 0 HA GLU A 85 -3.614 10.191 11.263 1.00 42.14 H new ATOM 0 HB2 GLU A 85 -6.369 8.858 11.399 1.00 12.42 H new ATOM 0 HB3 GLU A 85 -5.366 9.245 12.783 1.00 12.42 H new ATOM 0 HG2 GLU A 85 -5.652 11.608 12.459 1.00 55.21 H new ATOM 0 HG3 GLU A 85 -6.337 11.383 10.862 1.00 55.21 H new ATOM 1296 N HIS A 86 -4.524 7.146 10.308 1.00 70.24 N ATOM 1297 CA HIS A 86 -4.148 5.723 10.397 1.00 60.04 C ATOM 1298 C HIS A 86 -3.473 5.209 9.109 1.00 34.13 C ATOM 1299 O HIS A 86 -4.140 4.692 8.214 1.00 24.11 O ATOM 1300 CB HIS A 86 -5.388 4.866 10.707 1.00 54.43 C ATOM 1301 CG HIS A 86 -6.082 5.216 11.993 1.00 14.14 C ATOM 1302 ND1 HIS A 86 -7.196 4.546 12.454 1.00 53.12 N ATOM 1303 CD2 HIS A 86 -5.822 6.171 12.916 1.00 52.25 C ATOM 1304 CE1 HIS A 86 -7.584 5.071 13.598 1.00 61.43 C ATOM 1305 NE2 HIS A 86 -6.768 6.055 13.899 1.00 61.30 N ATOM 0 H HIS A 86 -5.369 7.326 9.766 1.00 70.24 H new ATOM 0 HA HIS A 86 -3.422 5.636 11.205 1.00 60.04 H new ATOM 0 HB2 HIS A 86 -6.098 4.967 9.886 1.00 54.43 H new ATOM 0 HB3 HIS A 86 -5.090 3.818 10.743 1.00 54.43 H new ATOM 0 HD2 HIS A 86 -5.018 6.891 12.883 1.00 52.25 H new ATOM 0 HE1 HIS A 86 -8.429 4.747 14.188 1.00 61.43 H new ATOM 0 HE2 HIS A 86 -6.829 6.640 14.732 1.00 61.30 H new ATOM 1314 N VAL A 87 -2.151 5.352 9.016 1.00 21.23 N ATOM 1315 CA VAL A 87 -1.398 4.863 7.847 1.00 74.22 C ATOM 1316 C VAL A 87 -0.158 4.063 8.280 1.00 74.13 C ATOM 1317 O VAL A 87 0.566 4.467 9.189 1.00 64.11 O ATOM 1318 CB VAL A 87 -0.948 6.028 6.926 1.00 33.21 C ATOM 1319 CG1 VAL A 87 -0.294 5.491 5.655 1.00 22.54 C ATOM 1320 CG2 VAL A 87 -2.125 6.937 6.582 1.00 72.32 C ATOM 0 H VAL A 87 -1.576 5.800 9.730 1.00 21.23 H new ATOM 0 HA VAL A 87 -2.074 4.213 7.291 1.00 74.22 H new ATOM 0 HB VAL A 87 -0.210 6.619 7.468 1.00 33.21 H new ATOM 0 HG11 VAL A 87 0.014 6.325 5.024 1.00 22.54 H new ATOM 0 HG12 VAL A 87 0.579 4.894 5.919 1.00 22.54 H new ATOM 0 HG13 VAL A 87 -1.007 4.870 5.113 1.00 22.54 H new ATOM 0 HG21 VAL A 87 -1.784 7.746 5.936 1.00 72.32 H new ATOM 0 HG22 VAL A 87 -2.892 6.359 6.066 1.00 72.32 H new ATOM 0 HG23 VAL A 87 -2.541 7.356 7.498 1.00 72.32 H new ATOM 1330 N SER A 88 0.087 2.934 7.614 1.00 74.23 N ATOM 1331 CA SER A 88 1.222 2.060 7.944 1.00 3.10 C ATOM 1332 C SER A 88 2.054 1.722 6.705 1.00 63.21 C ATOM 1333 O SER A 88 1.519 1.562 5.606 1.00 11.32 O ATOM 1334 CB SER A 88 0.729 0.759 8.588 1.00 22.25 C ATOM 1335 OG SER A 88 1.810 -0.111 8.892 1.00 31.33 O ATOM 0 H SER A 88 -0.486 2.599 6.839 1.00 74.23 H new ATOM 0 HA SER A 88 1.852 2.604 8.648 1.00 3.10 H new ATOM 0 HB2 SER A 88 0.177 0.989 9.500 1.00 22.25 H new ATOM 0 HB3 SER A 88 0.035 0.258 7.913 1.00 22.25 H new ATOM 0 HG SER A 88 1.978 -0.100 9.858 1.00 31.33 H new ATOM 1341 N GLU A 89 3.366 1.614 6.890 1.00 35.11 N ATOM 1342 CA GLU A 89 4.273 1.231 5.807 1.00 50.13 C ATOM 1343 C GLU A 89 4.509 -0.288 5.803 1.00 75.34 C ATOM 1344 O GLU A 89 4.826 -0.889 6.835 1.00 24.51 O ATOM 1345 CB GLU A 89 5.601 1.997 5.934 1.00 50.24 C ATOM 1346 CG GLU A 89 6.281 1.850 7.290 1.00 62.34 C ATOM 1347 CD GLU A 89 7.480 2.770 7.454 1.00 20.12 C ATOM 1348 OE1 GLU A 89 8.604 2.366 7.093 1.00 23.14 O ATOM 1349 OE2 GLU A 89 7.303 3.910 7.943 1.00 70.01 O ATOM 0 H GLU A 89 3.829 1.787 7.782 1.00 35.11 H new ATOM 0 HA GLU A 89 3.812 1.496 4.855 1.00 50.13 H new ATOM 0 HB2 GLU A 89 6.283 1.649 5.159 1.00 50.24 H new ATOM 0 HB3 GLU A 89 5.417 3.055 5.746 1.00 50.24 H new ATOM 0 HG2 GLU A 89 5.558 2.060 8.078 1.00 62.34 H new ATOM 0 HG3 GLU A 89 6.602 0.816 7.419 1.00 62.34 H new ATOM 1356 N LEU A 90 4.324 -0.908 4.643 1.00 53.41 N ATOM 1357 CA LEU A 90 4.478 -2.359 4.512 1.00 53.33 C ATOM 1358 C LEU A 90 5.962 -2.761 4.409 1.00 54.15 C ATOM 1359 O LEU A 90 6.618 -2.513 3.394 1.00 42.20 O ATOM 1360 CB LEU A 90 3.707 -2.873 3.282 1.00 23.14 C ATOM 1361 CG LEU A 90 3.555 -4.404 3.193 1.00 75.42 C ATOM 1362 CD1 LEU A 90 2.699 -4.929 4.346 1.00 52.22 C ATOM 1363 CD2 LEU A 90 2.955 -4.814 1.849 1.00 1.34 C ATOM 0 H LEU A 90 4.067 -0.432 3.778 1.00 53.41 H new ATOM 0 HA LEU A 90 4.064 -2.817 5.410 1.00 53.33 H new ATOM 0 HB2 LEU A 90 2.713 -2.425 3.283 1.00 23.14 H new ATOM 0 HB3 LEU A 90 4.214 -2.522 2.383 1.00 23.14 H new ATOM 0 HG LEU A 90 4.547 -4.848 3.272 1.00 75.42 H new ATOM 0 HD11 LEU A 90 2.604 -6.012 4.265 1.00 52.22 H new ATOM 0 HD12 LEU A 90 3.172 -4.676 5.295 1.00 52.22 H new ATOM 0 HD13 LEU A 90 1.710 -4.474 4.301 1.00 52.22 H new ATOM 0 HD21 LEU A 90 2.857 -5.899 1.810 1.00 1.34 H new ATOM 0 HD22 LEU A 90 1.972 -4.357 1.735 1.00 1.34 H new ATOM 0 HD23 LEU A 90 3.607 -4.479 1.042 1.00 1.34 H new ATOM 1375 N LYS A 91 6.479 -3.382 5.469 1.00 51.32 N ATOM 1376 CA LYS A 91 7.864 -3.870 5.499 1.00 71.42 C ATOM 1377 C LYS A 91 8.139 -4.869 4.361 1.00 72.34 C ATOM 1378 O LYS A 91 7.417 -5.855 4.191 1.00 31.23 O ATOM 1379 CB LYS A 91 8.164 -4.522 6.862 1.00 41.20 C ATOM 1380 CG LYS A 91 8.268 -3.523 8.014 1.00 63.21 C ATOM 1381 CD LYS A 91 8.487 -4.215 9.361 1.00 33.44 C ATOM 1382 CE LYS A 91 7.283 -5.058 9.766 1.00 3.41 C ATOM 1383 NZ LYS A 91 7.483 -5.731 11.078 1.00 65.43 N ATOM 0 H LYS A 91 5.957 -3.562 6.327 1.00 51.32 H new ATOM 0 HA LYS A 91 8.523 -3.014 5.354 1.00 71.42 H new ATOM 0 HB2 LYS A 91 7.380 -5.244 7.089 1.00 41.20 H new ATOM 0 HB3 LYS A 91 9.099 -5.078 6.790 1.00 41.20 H new ATOM 0 HG2 LYS A 91 9.091 -2.835 7.823 1.00 63.21 H new ATOM 0 HG3 LYS A 91 7.357 -2.926 8.058 1.00 63.21 H new ATOM 0 HD2 LYS A 91 9.372 -4.849 9.305 1.00 33.44 H new ATOM 0 HD3 LYS A 91 8.680 -3.465 10.128 1.00 33.44 H new ATOM 0 HE2 LYS A 91 6.398 -4.424 9.816 1.00 3.41 H new ATOM 0 HE3 LYS A 91 7.093 -5.809 8.999 1.00 3.41 H new ATOM 0 HZ1 LYS A 91 6.677 -6.359 11.273 1.00 65.43 H new ATOM 0 HZ2 LYS A 91 8.359 -6.291 11.051 1.00 65.43 H new ATOM 0 HZ3 LYS A 91 7.553 -5.015 11.829 1.00 65.43 H new ATOM 1397 N GLY A 92 9.188 -4.605 3.587 1.00 33.35 N ATOM 1398 CA GLY A 92 9.539 -5.466 2.466 1.00 5.35 C ATOM 1399 C GLY A 92 9.067 -4.923 1.118 1.00 41.51 C ATOM 1400 O GLY A 92 9.878 -4.485 0.298 1.00 21.20 O ATOM 0 H GLY A 92 9.807 -3.804 3.716 1.00 33.35 H new ATOM 0 HA2 GLY A 92 10.621 -5.594 2.440 1.00 5.35 H new ATOM 0 HA3 GLY A 92 9.105 -6.453 2.625 1.00 5.35 H new ATOM 1404 N GLY A 93 7.756 -4.951 0.883 1.00 12.35 N ATOM 1405 CA GLY A 93 7.197 -4.494 -0.394 1.00 22.20 C ATOM 1406 C GLY A 93 6.473 -5.602 -1.162 1.00 21.30 C ATOM 1407 O GLY A 93 6.036 -6.594 -0.570 1.00 72.32 O ATOM 0 H GLY A 93 7.063 -5.283 1.554 1.00 12.35 H new ATOM 0 HA2 GLY A 93 6.502 -3.675 -0.208 1.00 22.20 H new ATOM 0 HA3 GLY A 93 8.000 -4.095 -1.014 1.00 22.20 H new ATOM 1411 N LEU A 94 6.346 -5.436 -2.485 1.00 3.33 N ATOM 1412 CA LEU A 94 5.638 -6.420 -3.322 1.00 24.22 C ATOM 1413 C LEU A 94 6.324 -7.800 -3.292 1.00 44.33 C ATOM 1414 O LEU A 94 5.678 -8.813 -3.027 1.00 64.02 O ATOM 1415 CB LEU A 94 5.533 -5.928 -4.775 1.00 13.35 C ATOM 1416 CG LEU A 94 4.698 -6.830 -5.706 1.00 44.11 C ATOM 1417 CD1 LEU A 94 3.228 -6.818 -5.297 1.00 35.23 C ATOM 1418 CD2 LEU A 94 4.865 -6.412 -7.166 1.00 33.33 C ATOM 0 H LEU A 94 6.720 -4.637 -2.998 1.00 3.33 H new ATOM 0 HA LEU A 94 4.637 -6.528 -2.905 1.00 24.22 H new ATOM 0 HB2 LEU A 94 5.098 -4.929 -4.775 1.00 13.35 H new ATOM 0 HB3 LEU A 94 6.538 -5.837 -5.186 1.00 13.35 H new ATOM 0 HG LEU A 94 5.066 -7.851 -5.607 1.00 44.11 H new ATOM 0 HD11 LEU A 94 2.658 -7.461 -5.968 1.00 35.23 H new ATOM 0 HD12 LEU A 94 3.132 -7.184 -4.275 1.00 35.23 H new ATOM 0 HD13 LEU A 94 2.842 -5.800 -5.356 1.00 35.23 H new ATOM 0 HD21 LEU A 94 4.266 -7.064 -7.802 1.00 33.33 H new ATOM 0 HD22 LEU A 94 4.534 -5.381 -7.289 1.00 33.33 H new ATOM 0 HD23 LEU A 94 5.914 -6.493 -7.450 1.00 33.33 H new ATOM 1430 N ALA A 95 7.629 -7.835 -3.577 1.00 40.23 N ATOM 1431 CA ALA A 95 8.405 -9.082 -3.538 1.00 31.45 C ATOM 1432 C ALA A 95 8.237 -9.812 -2.198 1.00 23.21 C ATOM 1433 O ALA A 95 8.203 -11.038 -2.156 1.00 21.05 O ATOM 1434 CB ALA A 95 9.881 -8.801 -3.805 1.00 73.33 C ATOM 0 H ALA A 95 8.173 -7.013 -3.838 1.00 40.23 H new ATOM 0 HA ALA A 95 8.020 -9.733 -4.323 1.00 31.45 H new ATOM 0 HB1 ALA A 95 10.441 -9.736 -3.772 1.00 73.33 H new ATOM 0 HB2 ALA A 95 9.992 -8.345 -4.789 1.00 73.33 H new ATOM 0 HB3 ALA A 95 10.265 -8.121 -3.045 1.00 73.33 H new ATOM 1440 N ALA A 96 8.128 -9.054 -1.107 1.00 53.42 N ATOM 1441 CA ALA A 96 7.856 -9.635 0.215 1.00 42.12 C ATOM 1442 C ALA A 96 6.461 -10.280 0.267 1.00 24.43 C ATOM 1443 O ALA A 96 6.305 -11.420 0.713 1.00 1.23 O ATOM 1444 CB ALA A 96 7.988 -8.574 1.300 1.00 64.22 C ATOM 0 H ALA A 96 8.223 -8.038 -1.108 1.00 53.42 H new ATOM 0 HA ALA A 96 8.594 -10.417 0.393 1.00 42.12 H new ATOM 0 HB1 ALA A 96 7.783 -9.021 2.273 1.00 64.22 H new ATOM 0 HB2 ALA A 96 9.000 -8.170 1.292 1.00 64.22 H new ATOM 0 HB3 ALA A 96 7.275 -7.771 1.112 1.00 64.22 H new ATOM 1450 N TRP A 97 5.450 -9.533 -0.184 1.00 44.55 N ATOM 1451 CA TRP A 97 4.076 -10.049 -0.305 1.00 24.14 C ATOM 1452 C TRP A 97 4.047 -11.340 -1.139 1.00 41.50 C ATOM 1453 O TRP A 97 3.314 -12.283 -0.838 1.00 24.20 O ATOM 1454 CB TRP A 97 3.183 -8.985 -0.960 1.00 44.41 C ATOM 1455 CG TRP A 97 1.760 -9.422 -1.167 1.00 35.45 C ATOM 1456 CD1 TRP A 97 1.237 -10.034 -2.270 1.00 5.22 C ATOM 1457 CD2 TRP A 97 0.676 -9.265 -0.248 1.00 44.51 C ATOM 1458 NE1 TRP A 97 -0.101 -10.274 -2.086 1.00 70.30 N ATOM 1459 CE2 TRP A 97 -0.470 -9.810 -0.853 1.00 2.54 C ATOM 1460 CE3 TRP A 97 0.568 -8.722 1.032 1.00 72.31 C ATOM 1461 CZ2 TRP A 97 -1.712 -9.820 -0.225 1.00 12.21 C ATOM 1462 CZ3 TRP A 97 -0.663 -8.732 1.654 1.00 50.41 C ATOM 1463 CH2 TRP A 97 -1.788 -9.277 1.027 1.00 32.32 C ATOM 0 H TRP A 97 5.555 -8.561 -0.474 1.00 44.55 H new ATOM 0 HA TRP A 97 3.702 -10.278 0.693 1.00 24.14 H new ATOM 0 HB2 TRP A 97 3.190 -8.088 -0.340 1.00 44.41 H new ATOM 0 HB3 TRP A 97 3.611 -8.710 -1.924 1.00 44.41 H new ATOM 0 HD1 TRP A 97 1.795 -10.292 -3.158 1.00 5.22 H new ATOM 0 HE1 TRP A 97 -0.720 -10.725 -2.759 1.00 70.30 H new ATOM 0 HE3 TRP A 97 1.431 -8.302 1.527 1.00 72.31 H new ATOM 0 HZ2 TRP A 97 -2.582 -10.240 -0.708 1.00 12.21 H new ATOM 0 HZ3 TRP A 97 -0.760 -8.311 2.644 1.00 50.41 H new ATOM 0 HH2 TRP A 97 -2.737 -9.269 1.543 1.00 32.32 H new ATOM 1474 N LYS A 98 4.863 -11.370 -2.183 1.00 65.43 N ATOM 1475 CA LYS A 98 4.951 -12.522 -3.082 1.00 13.12 C ATOM 1476 C LYS A 98 5.778 -13.668 -2.467 1.00 64.15 C ATOM 1477 O LYS A 98 5.444 -14.843 -2.633 1.00 45.44 O ATOM 1478 CB LYS A 98 5.554 -12.070 -4.422 1.00 24.45 C ATOM 1479 CG LYS A 98 4.673 -11.065 -5.165 1.00 40.54 C ATOM 1480 CD LYS A 98 5.364 -10.442 -6.378 1.00 21.12 C ATOM 1481 CE LYS A 98 6.003 -11.491 -7.273 1.00 52.33 C ATOM 1482 NZ LYS A 98 6.252 -10.983 -8.649 1.00 13.23 N ATOM 0 H LYS A 98 5.483 -10.600 -2.434 1.00 65.43 H new ATOM 0 HA LYS A 98 3.946 -12.912 -3.246 1.00 13.12 H new ATOM 0 HB2 LYS A 98 6.532 -11.624 -4.242 1.00 24.45 H new ATOM 0 HB3 LYS A 98 5.713 -12.943 -5.055 1.00 24.45 H new ATOM 0 HG2 LYS A 98 3.760 -11.563 -5.491 1.00 40.54 H new ATOM 0 HG3 LYS A 98 4.376 -10.273 -4.477 1.00 40.54 H new ATOM 0 HD2 LYS A 98 4.637 -9.869 -6.954 1.00 21.12 H new ATOM 0 HD3 LYS A 98 6.127 -9.741 -6.040 1.00 21.12 H new ATOM 0 HE2 LYS A 98 6.945 -11.816 -6.832 1.00 52.33 H new ATOM 0 HE3 LYS A 98 5.355 -12.366 -7.323 1.00 52.33 H new ATOM 0 HZ1 LYS A 98 6.110 -11.752 -9.334 1.00 13.23 H new ATOM 0 HZ2 LYS A 98 5.592 -10.207 -8.857 1.00 13.23 H new ATOM 0 HZ3 LYS A 98 7.229 -10.634 -8.719 1.00 13.23 H new ATOM 1496 N ALA A 99 6.841 -13.320 -1.739 1.00 40.14 N ATOM 1497 CA ALA A 99 7.717 -14.315 -1.102 1.00 53.54 C ATOM 1498 C ALA A 99 6.963 -15.138 -0.047 1.00 42.43 C ATOM 1499 O ALA A 99 7.193 -16.338 0.105 1.00 3.42 O ATOM 1500 CB ALA A 99 8.928 -13.632 -0.469 1.00 42.04 C ATOM 0 H ALA A 99 7.120 -12.353 -1.573 1.00 40.14 H new ATOM 0 HA ALA A 99 8.059 -14.999 -1.879 1.00 53.54 H new ATOM 0 HB1 ALA A 99 9.566 -14.382 -0.002 1.00 42.04 H new ATOM 0 HB2 ALA A 99 9.492 -13.104 -1.238 1.00 42.04 H new ATOM 0 HB3 ALA A 99 8.592 -12.921 0.286 1.00 42.04 H new ATOM 1506 N ILE A 100 6.054 -14.484 0.673 1.00 1.11 N ATOM 1507 CA ILE A 100 5.214 -15.157 1.672 1.00 24.20 C ATOM 1508 C ILE A 100 4.032 -15.895 1.002 1.00 70.55 C ATOM 1509 O ILE A 100 3.145 -16.419 1.682 1.00 31.33 O ATOM 1510 CB ILE A 100 4.648 -14.135 2.695 1.00 43.24 C ATOM 1511 CG1 ILE A 100 3.620 -13.231 2.000 1.00 4.04 C ATOM 1512 CG2 ILE A 100 5.778 -13.302 3.300 1.00 71.21 C ATOM 1513 CD1 ILE A 100 2.944 -12.245 2.912 1.00 12.10 C ATOM 0 H ILE A 100 5.877 -13.483 0.585 1.00 1.11 H new ATOM 0 HA ILE A 100 5.845 -15.881 2.187 1.00 24.20 H new ATOM 0 HB ILE A 100 4.157 -14.673 3.505 1.00 43.24 H new ATOM 0 HG12 ILE A 100 4.117 -12.685 1.199 1.00 4.04 H new ATOM 0 HG13 ILE A 100 2.859 -13.857 1.534 1.00 4.04 H new ATOM 0 HG21 ILE A 100 5.363 -12.591 4.015 1.00 71.21 H new ATOM 0 HG22 ILE A 100 6.482 -13.960 3.809 1.00 71.21 H new ATOM 0 HG23 ILE A 100 6.295 -12.760 2.508 1.00 71.21 H new ATOM 0 HD11 ILE A 100 2.234 -11.647 2.340 1.00 12.10 H new ATOM 0 HD12 ILE A 100 2.415 -12.781 3.699 1.00 12.10 H new ATOM 0 HD13 ILE A 100 3.692 -11.590 3.359 1.00 12.10 H new ATOM 1525 N GLY A 101 4.013 -15.911 -0.336 1.00 30.44 N ATOM 1526 CA GLY A 101 2.944 -16.581 -1.075 1.00 24.30 C ATOM 1527 C GLY A 101 1.620 -15.821 -1.056 1.00 43.24 C ATOM 1528 O GLY A 101 0.554 -16.426 -0.946 1.00 5.23 O ATOM 0 H GLY A 101 4.721 -15.470 -0.923 1.00 30.44 H new ATOM 0 HA2 GLY A 101 3.260 -16.719 -2.109 1.00 24.30 H new ATOM 0 HA3 GLY A 101 2.789 -17.574 -0.654 1.00 24.30 H new ATOM 1532 N GLY A 102 1.685 -14.493 -1.144 1.00 30.54 N ATOM 1533 CA GLY A 102 0.478 -13.670 -1.162 1.00 62.54 C ATOM 1534 C GLY A 102 -0.174 -13.571 -2.541 1.00 24.13 C ATOM 1535 O GLY A 102 0.515 -13.615 -3.559 1.00 15.42 O ATOM 0 H GLY A 102 2.557 -13.967 -1.204 1.00 30.54 H new ATOM 0 HA2 GLY A 102 -0.244 -14.082 -0.457 1.00 62.54 H new ATOM 0 HA3 GLY A 102 0.727 -12.667 -0.814 1.00 62.54 H new ATOM 1539 N PRO A 103 -1.511 -13.427 -2.599 1.00 63.22 N ATOM 1540 CA PRO A 103 -2.252 -13.297 -3.871 1.00 71.13 C ATOM 1541 C PRO A 103 -1.963 -11.964 -4.587 1.00 35.05 C ATOM 1542 O PRO A 103 -2.144 -10.889 -4.007 1.00 14.21 O ATOM 1543 CB PRO A 103 -3.734 -13.366 -3.441 1.00 23.45 C ATOM 1544 CG PRO A 103 -3.726 -13.825 -2.017 1.00 34.43 C ATOM 1545 CD PRO A 103 -2.412 -13.379 -1.440 1.00 21.44 C ATOM 0 HA PRO A 103 -1.966 -14.071 -4.583 1.00 71.13 H new ATOM 0 HB2 PRO A 103 -4.214 -12.392 -3.535 1.00 23.45 H new ATOM 0 HB3 PRO A 103 -4.292 -14.058 -4.072 1.00 23.45 H new ATOM 0 HG2 PRO A 103 -4.560 -13.393 -1.464 1.00 34.43 H new ATOM 0 HG3 PRO A 103 -3.830 -14.908 -1.957 1.00 34.43 H new ATOM 0 HD2 PRO A 103 -2.475 -12.376 -1.019 1.00 21.44 H new ATOM 0 HD3 PRO A 103 -2.077 -14.040 -0.640 1.00 21.44 H new ATOM 1553 N THR A 104 -1.516 -12.032 -5.843 1.00 53.42 N ATOM 1554 CA THR A 104 -1.168 -10.820 -6.605 1.00 31.11 C ATOM 1555 C THR A 104 -1.922 -10.723 -7.939 1.00 52.51 C ATOM 1556 O THR A 104 -2.275 -11.731 -8.554 1.00 54.21 O ATOM 1557 CB THR A 104 0.352 -10.744 -6.910 1.00 54.41 C ATOM 1558 OG1 THR A 104 0.749 -11.841 -7.746 1.00 34.11 O ATOM 1559 CG2 THR A 104 1.176 -10.759 -5.628 1.00 54.20 C ATOM 0 H THR A 104 -1.385 -12.904 -6.355 1.00 53.42 H new ATOM 0 HA THR A 104 -1.463 -9.989 -5.964 1.00 31.11 H new ATOM 0 HB THR A 104 0.537 -9.804 -7.430 1.00 54.41 H new ATOM 0 HG1 THR A 104 1.555 -11.596 -8.247 1.00 34.11 H new ATOM 0 HG21 THR A 104 2.236 -10.705 -5.876 1.00 54.20 H new ATOM 0 HG22 THR A 104 0.904 -9.903 -5.010 1.00 54.20 H new ATOM 0 HG23 THR A 104 0.979 -11.680 -5.079 1.00 54.20 H new ATOM 1567 N GLU A 105 -2.168 -9.488 -8.361 1.00 13.11 N ATOM 1568 CA GLU A 105 -2.726 -9.187 -9.682 1.00 53.14 C ATOM 1569 C GLU A 105 -1.696 -8.438 -10.528 1.00 10.33 C ATOM 1570 O GLU A 105 -0.635 -8.045 -10.039 1.00 4.34 O ATOM 1571 CB GLU A 105 -3.977 -8.307 -9.554 1.00 64.22 C ATOM 1572 CG GLU A 105 -5.161 -8.971 -8.872 1.00 64.32 C ATOM 1573 CD GLU A 105 -6.301 -7.990 -8.614 1.00 23.21 C ATOM 1574 OE1 GLU A 105 -6.789 -7.369 -9.582 1.00 32.24 O ATOM 1575 OE2 GLU A 105 -6.700 -7.810 -7.446 1.00 61.22 O ATOM 0 H GLU A 105 -1.986 -8.659 -7.795 1.00 13.11 H new ATOM 0 HA GLU A 105 -2.990 -10.132 -10.157 1.00 53.14 H new ATOM 0 HB2 GLU A 105 -3.715 -7.407 -8.998 1.00 64.22 H new ATOM 0 HB3 GLU A 105 -4.283 -7.988 -10.551 1.00 64.22 H new ATOM 0 HG2 GLU A 105 -5.523 -9.791 -9.492 1.00 64.32 H new ATOM 0 HG3 GLU A 105 -4.837 -9.406 -7.926 1.00 64.32 H new ATOM 1582 N GLY A 106 -2.024 -8.209 -11.786 1.00 45.21 N ATOM 1583 CA GLY A 106 -1.132 -7.460 -12.661 1.00 52.52 C ATOM 1584 C GLY A 106 -1.029 -8.029 -14.069 1.00 44.53 C ATOM 1585 O GLY A 106 -1.460 -9.151 -14.335 1.00 73.04 O ATOM 0 H GLY A 106 -2.889 -8.525 -12.224 1.00 45.21 H new ATOM 0 HA2 GLY A 106 -1.479 -6.429 -12.721 1.00 52.52 H new ATOM 0 HA3 GLY A 106 -0.137 -7.436 -12.216 1.00 52.52 H new ATOM 1589 N ILE A 107 -0.452 -7.239 -14.970 1.00 70.45 N ATOM 1590 CA ILE A 107 -0.263 -7.640 -16.365 1.00 73.03 C ATOM 1591 C ILE A 107 1.148 -8.219 -16.582 1.00 55.51 C ATOM 1592 O ILE A 107 1.323 -9.260 -17.217 1.00 33.12 O ATOM 1593 CB ILE A 107 -0.486 -6.431 -17.311 1.00 24.13 C ATOM 1594 CG1 ILE A 107 -1.836 -5.757 -17.003 1.00 4.34 C ATOM 1595 CG2 ILE A 107 -0.424 -6.870 -18.772 1.00 42.42 C ATOM 1596 CD1 ILE A 107 -2.129 -4.544 -17.863 1.00 4.24 C ATOM 0 H ILE A 107 -0.102 -6.305 -14.757 1.00 70.45 H new ATOM 0 HA ILE A 107 -0.996 -8.413 -16.596 1.00 73.03 H new ATOM 0 HB ILE A 107 0.311 -5.707 -17.142 1.00 24.13 H new ATOM 0 HG12 ILE A 107 -2.634 -6.487 -17.138 1.00 4.34 H new ATOM 0 HG13 ILE A 107 -1.851 -5.459 -15.955 1.00 4.34 H new ATOM 0 HG21 ILE A 107 -0.583 -6.007 -19.418 1.00 42.42 H new ATOM 0 HG22 ILE A 107 0.554 -7.304 -18.980 1.00 42.42 H new ATOM 0 HG23 ILE A 107 -1.199 -7.613 -18.962 1.00 42.42 H new ATOM 0 HD11 ILE A 107 -3.097 -4.126 -17.585 1.00 4.24 H new ATOM 0 HD12 ILE A 107 -1.353 -3.794 -17.711 1.00 4.24 H new ATOM 0 HD13 ILE A 107 -2.148 -4.838 -18.912 1.00 4.24 H new ATOM 1608 N ILE A 108 2.151 -7.542 -16.024 1.00 25.04 N ATOM 1609 CA ILE A 108 3.553 -7.968 -16.146 1.00 64.25 C ATOM 1610 C ILE A 108 3.870 -9.189 -15.266 1.00 30.04 C ATOM 1611 O ILE A 108 4.786 -9.955 -15.564 1.00 14.12 O ATOM 1612 CB ILE A 108 4.516 -6.786 -15.823 1.00 65.41 C ATOM 1613 CG1 ILE A 108 4.729 -5.909 -17.073 1.00 51.35 C ATOM 1614 CG2 ILE A 108 5.859 -7.271 -15.269 1.00 45.04 C ATOM 1615 CD1 ILE A 108 3.450 -5.392 -17.701 1.00 62.11 C ATOM 0 H ILE A 108 2.021 -6.690 -15.479 1.00 25.04 H new ATOM 0 HA ILE A 108 3.708 -8.273 -17.181 1.00 64.25 H new ATOM 0 HB ILE A 108 4.045 -6.186 -15.045 1.00 65.41 H new ATOM 0 HG12 ILE A 108 5.356 -5.059 -16.803 1.00 51.35 H new ATOM 0 HG13 ILE A 108 5.277 -6.486 -17.818 1.00 51.35 H new ATOM 0 HG21 ILE A 108 6.497 -6.413 -15.059 1.00 45.04 H new ATOM 0 HG22 ILE A 108 5.692 -7.833 -14.350 1.00 45.04 H new ATOM 0 HG23 ILE A 108 6.345 -7.913 -16.004 1.00 45.04 H new ATOM 0 HD11 ILE A 108 3.692 -4.785 -18.573 1.00 62.11 H new ATOM 0 HD12 ILE A 108 2.828 -6.234 -18.006 1.00 62.11 H new ATOM 0 HD13 ILE A 108 2.908 -4.785 -16.976 1.00 62.11 H new ATOM 1627 N GLU A 109 3.084 -9.381 -14.215 1.00 74.55 N ATOM 1628 CA GLU A 109 3.248 -10.535 -13.302 1.00 11.22 C ATOM 1629 C GLU A 109 3.255 -11.880 -14.058 1.00 75.21 C ATOM 1630 O GLU A 109 3.793 -12.872 -13.568 1.00 71.05 O ATOM 1631 CB GLU A 109 2.145 -10.533 -12.229 1.00 4.13 C ATOM 1632 CG GLU A 109 2.390 -9.551 -11.084 1.00 12.42 C ATOM 1633 CD GLU A 109 3.531 -9.983 -10.166 1.00 51.42 C ATOM 1634 OE1 GLU A 109 3.306 -10.854 -9.296 1.00 74.45 O ATOM 1635 OE2 GLU A 109 4.656 -9.458 -10.307 1.00 53.34 O ATOM 0 H GLU A 109 2.319 -8.756 -13.962 1.00 74.55 H new ATOM 0 HA GLU A 109 4.219 -10.428 -12.819 1.00 11.22 H new ATOM 0 HB2 GLU A 109 1.193 -10.292 -12.702 1.00 4.13 H new ATOM 0 HB3 GLU A 109 2.051 -11.538 -11.818 1.00 4.13 H new ATOM 0 HG2 GLU A 109 2.615 -8.568 -11.497 1.00 12.42 H new ATOM 0 HG3 GLU A 109 1.477 -9.449 -10.497 1.00 12.42 H new ATOM 1642 N SER A 110 2.658 -11.904 -15.251 1.00 35.41 N ATOM 1643 CA SER A 110 2.696 -13.094 -16.117 1.00 55.41 C ATOM 1644 C SER A 110 4.144 -13.501 -16.445 1.00 24.24 C ATOM 1645 O SER A 110 4.446 -14.681 -16.630 1.00 71.42 O ATOM 1646 CB SER A 110 1.925 -12.833 -17.419 1.00 50.22 C ATOM 1647 OG SER A 110 2.013 -13.935 -18.312 1.00 33.44 O ATOM 0 H SER A 110 2.142 -11.116 -15.643 1.00 35.41 H new ATOM 0 HA SER A 110 2.223 -13.913 -15.575 1.00 55.41 H new ATOM 0 HB2 SER A 110 0.878 -12.634 -17.188 1.00 50.22 H new ATOM 0 HB3 SER A 110 2.320 -11.940 -17.903 1.00 50.22 H new ATOM 0 HG SER A 110 1.282 -13.888 -18.963 1.00 33.44 H new ATOM 1653 N ARG A 111 5.029 -12.510 -16.534 1.00 44.14 N ATOM 1654 CA ARG A 111 6.464 -12.743 -16.733 1.00 22.02 C ATOM 1655 C ARG A 111 7.224 -12.464 -15.420 1.00 10.22 C ATOM 1656 O ARG A 111 7.482 -11.307 -15.078 1.00 34.32 O ATOM 1657 CB ARG A 111 7.021 -11.844 -17.856 1.00 63.31 C ATOM 1658 CG ARG A 111 6.436 -12.095 -19.253 1.00 3.15 C ATOM 1659 CD ARG A 111 4.982 -11.639 -19.376 1.00 12.04 C ATOM 1660 NE ARG A 111 4.549 -11.542 -20.774 1.00 32.25 N ATOM 1661 CZ ARG A 111 3.627 -12.290 -21.329 1.00 14.24 C ATOM 1662 NH1 ARG A 111 3.073 -13.263 -20.677 1.00 42.41 N ATOM 1663 NH2 ARG A 111 3.276 -12.078 -22.557 1.00 35.40 N ATOM 0 H ARG A 111 4.776 -11.524 -16.471 1.00 44.14 H new ATOM 0 HA ARG A 111 6.604 -13.784 -17.025 1.00 22.02 H new ATOM 0 HB2 ARG A 111 6.841 -10.803 -17.587 1.00 63.31 H new ATOM 0 HB3 ARG A 111 8.102 -11.979 -17.904 1.00 63.31 H new ATOM 0 HG2 ARG A 111 7.040 -11.572 -19.994 1.00 3.15 H new ATOM 0 HG3 ARG A 111 6.499 -13.159 -19.483 1.00 3.15 H new ATOM 0 HD2 ARG A 111 4.337 -12.339 -18.845 1.00 12.04 H new ATOM 0 HD3 ARG A 111 4.865 -10.669 -18.893 1.00 12.04 H new ATOM 0 HE ARG A 111 5.000 -10.839 -21.359 1.00 32.25 H new ATOM 0 HH11 ARG A 111 3.353 -13.457 -19.716 1.00 42.41 H new ATOM 0 HH12 ARG A 111 2.357 -13.835 -21.125 1.00 42.41 H new ATOM 0 HH21 ARG A 111 3.717 -11.329 -23.091 1.00 35.40 H new ATOM 0 HH22 ARG A 111 2.559 -12.660 -22.990 1.00 35.40 H new ATOM 1677 N THR A 112 7.574 -13.518 -14.687 1.00 24.23 N ATOM 1678 CA THR A 112 8.145 -13.366 -13.337 1.00 52.00 C ATOM 1679 C THR A 112 9.676 -13.199 -13.345 1.00 74.23 C ATOM 1680 O THR A 112 10.411 -14.084 -13.791 1.00 53.43 O ATOM 1681 CB THR A 112 7.782 -14.567 -12.429 1.00 3.31 C ATOM 1682 OG1 THR A 112 8.263 -15.795 -13.003 1.00 61.51 O ATOM 1683 CG2 THR A 112 6.274 -14.659 -12.214 1.00 30.11 C ATOM 0 H THR A 112 7.476 -14.485 -14.997 1.00 24.23 H new ATOM 0 HA THR A 112 7.703 -12.452 -12.940 1.00 52.00 H new ATOM 0 HB THR A 112 8.262 -14.408 -11.463 1.00 3.31 H new ATOM 0 HG1 THR A 112 9.136 -15.641 -13.421 1.00 61.51 H new ATOM 0 HG21 THR A 112 6.049 -15.511 -11.573 1.00 30.11 H new ATOM 0 HG22 THR A 112 5.918 -13.744 -11.740 1.00 30.11 H new ATOM 0 HG23 THR A 112 5.777 -14.787 -13.175 1.00 30.11 H new ATOM 1691 N PRO A 113 10.185 -12.048 -12.846 1.00 72.33 N ATOM 1692 CA PRO A 113 11.624 -11.818 -12.669 1.00 10.43 C ATOM 1693 C PRO A 113 12.143 -12.440 -11.359 1.00 72.44 C ATOM 1694 O PRO A 113 12.505 -11.735 -10.414 1.00 63.11 O ATOM 1695 CB PRO A 113 11.748 -10.274 -12.642 1.00 53.44 C ATOM 1696 CG PRO A 113 10.349 -9.741 -12.793 1.00 62.34 C ATOM 1697 CD PRO A 113 9.418 -10.870 -12.431 1.00 10.03 C ATOM 0 HA PRO A 113 12.219 -12.278 -13.458 1.00 10.43 H new ATOM 0 HB2 PRO A 113 12.196 -9.935 -11.708 1.00 53.44 H new ATOM 0 HB3 PRO A 113 12.389 -9.920 -13.449 1.00 53.44 H new ATOM 0 HG2 PRO A 113 10.189 -8.882 -12.141 1.00 62.34 H new ATOM 0 HG3 PRO A 113 10.171 -9.404 -13.814 1.00 62.34 H new ATOM 0 HD2 PRO A 113 9.192 -10.886 -11.365 1.00 10.03 H new ATOM 0 HD3 PRO A 113 8.466 -10.798 -12.957 1.00 10.03 H new ATOM 1705 N ALA A 114 12.161 -13.773 -11.306 1.00 3.11 N ATOM 1706 CA ALA A 114 12.544 -14.502 -10.087 1.00 30.10 C ATOM 1707 C ALA A 114 14.046 -14.825 -10.041 1.00 1.21 C ATOM 1708 O ALA A 114 14.531 -15.450 -9.093 1.00 74.40 O ATOM 1709 CB ALA A 114 11.728 -15.783 -9.970 1.00 13.21 C ATOM 0 H ALA A 114 11.915 -14.374 -12.092 1.00 3.11 H new ATOM 0 HA ALA A 114 12.331 -13.850 -9.240 1.00 30.10 H new ATOM 0 HB1 ALA A 114 12.017 -16.317 -9.065 1.00 13.21 H new ATOM 0 HB2 ALA A 114 10.667 -15.536 -9.922 1.00 13.21 H new ATOM 0 HB3 ALA A 114 11.915 -16.414 -10.839 1.00 13.21 H new ATOM 1715 N GLY A 115 14.778 -14.403 -11.066 1.00 41.21 N ATOM 1716 CA GLY A 115 16.215 -14.647 -11.120 1.00 22.14 C ATOM 1717 C GLY A 115 17.011 -13.778 -10.151 1.00 21.44 C ATOM 1718 O GLY A 115 17.691 -12.838 -10.565 1.00 50.44 O ATOM 0 H GLY A 115 14.403 -13.893 -11.866 1.00 41.21 H new ATOM 0 HA2 GLY A 115 16.407 -15.697 -10.898 1.00 22.14 H new ATOM 0 HA3 GLY A 115 16.569 -14.466 -12.135 1.00 22.14 H new ATOM 1722 N ALA A 116 16.924 -14.086 -8.862 1.00 61.14 N ATOM 1723 CA ALA A 116 17.682 -13.358 -7.840 1.00 62.31 C ATOM 1724 C ALA A 116 19.123 -13.886 -7.726 1.00 34.12 C ATOM 1725 O ALA A 116 19.375 -15.080 -7.919 1.00 25.23 O ATOM 1726 CB ALA A 116 16.973 -13.452 -6.494 1.00 32.23 C ATOM 0 H ALA A 116 16.337 -14.835 -8.495 1.00 61.14 H new ATOM 0 HA ALA A 116 17.735 -12.312 -8.142 1.00 62.31 H new ATOM 0 HB1 ALA A 116 17.545 -12.908 -5.743 1.00 32.23 H new ATOM 0 HB2 ALA A 116 15.977 -13.018 -6.576 1.00 32.23 H new ATOM 0 HB3 ALA A 116 16.890 -14.498 -6.199 1.00 32.23 H new ATOM 1732 N ASP A 117 20.063 -12.998 -7.415 1.00 34.03 N ATOM 1733 CA ASP A 117 21.479 -13.373 -7.299 1.00 52.30 C ATOM 1734 C ASP A 117 21.896 -13.562 -5.827 1.00 21.22 C ATOM 1735 O ASP A 117 21.052 -13.609 -4.929 1.00 3.20 O ATOM 1736 CB ASP A 117 22.351 -12.313 -7.974 1.00 15.43 C ATOM 1737 CG ASP A 117 22.027 -12.164 -9.449 1.00 45.14 C ATOM 1738 OD1 ASP A 117 22.393 -13.063 -10.234 1.00 63.30 O ATOM 1739 OD2 ASP A 117 21.399 -11.151 -9.829 1.00 2.51 O ATOM 0 H ASP A 117 19.875 -12.011 -7.238 1.00 34.03 H new ATOM 0 HA ASP A 117 21.622 -14.329 -7.802 1.00 52.30 H new ATOM 0 HB2 ASP A 117 22.210 -11.355 -7.473 1.00 15.43 H new ATOM 0 HB3 ASP A 117 23.401 -12.581 -7.859 1.00 15.43 H new ATOM 1744 N ASP A 118 23.202 -13.685 -5.586 1.00 11.22 N ATOM 1745 CA ASP A 118 23.725 -13.927 -4.237 1.00 42.01 C ATOM 1746 C ASP A 118 23.916 -12.623 -3.444 1.00 65.35 C ATOM 1747 O ASP A 118 24.606 -11.704 -3.894 1.00 22.31 O ATOM 1748 CB ASP A 118 25.062 -14.669 -4.318 1.00 10.23 C ATOM 1749 CG ASP A 118 24.926 -16.026 -4.981 1.00 14.12 C ATOM 1750 OD1 ASP A 118 24.967 -16.091 -6.228 1.00 41.52 O ATOM 1751 OD2 ASP A 118 24.752 -17.033 -4.259 1.00 22.44 O ATOM 0 H ASP A 118 23.920 -13.621 -6.308 1.00 11.22 H new ATOM 0 HA ASP A 118 22.988 -14.534 -3.712 1.00 42.01 H new ATOM 0 HB2 ASP A 118 25.778 -14.065 -4.875 1.00 10.23 H new ATOM 0 HB3 ASP A 118 25.466 -14.796 -3.314 1.00 10.23 H new ATOM 1756 N TYR A 119 23.311 -12.556 -2.259 1.00 2.05 N ATOM 1757 CA TYR A 119 23.536 -11.439 -1.339 1.00 14.22 C ATOM 1758 C TYR A 119 24.915 -11.578 -0.676 1.00 24.30 C ATOM 1759 O TYR A 119 25.853 -10.852 -1.006 1.00 4.12 O ATOM 1760 CB TYR A 119 22.415 -11.383 -0.287 1.00 65.02 C ATOM 1761 CG TYR A 119 22.524 -10.218 0.683 1.00 31.35 C ATOM 1762 CD1 TYR A 119 22.329 -8.912 0.249 1.00 4.23 C ATOM 1763 CD2 TYR A 119 22.820 -10.423 2.028 1.00 41.42 C ATOM 1764 CE1 TYR A 119 22.428 -7.847 1.124 1.00 53.43 C ATOM 1765 CE2 TYR A 119 22.918 -9.361 2.907 1.00 24.15 C ATOM 1766 CZ TYR A 119 22.722 -8.075 2.450 1.00 72.32 C ATOM 1767 OH TYR A 119 22.829 -7.014 3.322 1.00 3.30 O ATOM 0 H TYR A 119 22.661 -13.261 -1.912 1.00 2.05 H new ATOM 0 HA TYR A 119 23.519 -10.503 -1.897 1.00 14.22 H new ATOM 0 HB2 TYR A 119 21.455 -11.325 -0.799 1.00 65.02 H new ATOM 0 HB3 TYR A 119 22.418 -12.314 0.280 1.00 65.02 H new ATOM 0 HD1 TYR A 119 22.096 -8.727 -0.789 1.00 4.23 H new ATOM 0 HD2 TYR A 119 22.976 -11.428 2.390 1.00 41.42 H new ATOM 0 HE1 TYR A 119 22.275 -6.839 0.769 1.00 53.43 H new ATOM 0 HE2 TYR A 119 23.147 -9.538 3.948 1.00 24.15 H new ATOM 0 HH TYR A 119 23.040 -7.348 4.219 1.00 3.30 H new ATOM 1777 N ASN A 120 25.020 -12.521 0.256 1.00 11.41 N ATOM 1778 CA ASN A 120 26.306 -12.909 0.869 1.00 51.22 C ATOM 1779 C ASN A 120 27.041 -11.746 1.569 1.00 62.35 C ATOM 1780 O ASN A 120 28.211 -11.881 1.941 1.00 72.04 O ATOM 1781 CB ASN A 120 27.224 -13.533 -0.192 1.00 23.12 C ATOM 1782 CG ASN A 120 26.662 -14.819 -0.779 1.00 44.21 C ATOM 1783 OD1 ASN A 120 25.452 -15.020 -0.846 1.00 44.24 O ATOM 1784 ND2 ASN A 120 27.538 -15.702 -1.209 1.00 33.12 N ATOM 0 H ASN A 120 24.221 -13.044 0.614 1.00 11.41 H new ATOM 0 HA ASN A 120 26.064 -13.635 1.646 1.00 51.22 H new ATOM 0 HB2 ASN A 120 27.385 -12.813 -0.995 1.00 23.12 H new ATOM 0 HB3 ASN A 120 28.198 -13.738 0.253 1.00 23.12 H new ATOM 0 HD21 ASN A 120 27.218 -16.583 -1.612 1.00 33.12 H new ATOM 0 HD22 ASN A 120 28.536 -15.505 -1.139 1.00 33.12 H new ATOM 1791 N VAL A 121 26.363 -10.616 1.757 1.00 62.01 N ATOM 1792 CA VAL A 121 26.968 -9.454 2.417 1.00 21.03 C ATOM 1793 C VAL A 121 26.771 -9.522 3.943 1.00 70.11 C ATOM 1794 O VAL A 121 25.662 -9.347 4.450 1.00 45.02 O ATOM 1795 CB VAL A 121 26.375 -8.131 1.878 1.00 33.54 C ATOM 1796 CG1 VAL A 121 27.105 -6.922 2.463 1.00 35.51 C ATOM 1797 CG2 VAL A 121 26.413 -8.103 0.351 1.00 51.10 C ATOM 0 H VAL A 121 25.396 -10.477 1.463 1.00 62.01 H new ATOM 0 HA VAL A 121 28.035 -9.476 2.195 1.00 21.03 H new ATOM 0 HB VAL A 121 25.333 -8.077 2.194 1.00 33.54 H new ATOM 0 HG11 VAL A 121 26.667 -6.006 2.067 1.00 35.51 H new ATOM 0 HG12 VAL A 121 27.010 -6.930 3.549 1.00 35.51 H new ATOM 0 HG13 VAL A 121 28.160 -6.967 2.191 1.00 35.51 H new ATOM 0 HG21 VAL A 121 25.991 -7.164 -0.006 1.00 51.10 H new ATOM 0 HG22 VAL A 121 27.445 -8.190 0.011 1.00 51.10 H new ATOM 0 HG23 VAL A 121 25.830 -8.936 -0.043 1.00 51.10 H new ATOM 1807 N VAL A 122 27.856 -9.774 4.665 1.00 0.34 N ATOM 1808 CA VAL A 122 27.810 -9.955 6.126 1.00 21.01 C ATOM 1809 C VAL A 122 28.221 -8.676 6.882 1.00 11.24 C ATOM 1810 O VAL A 122 28.885 -8.735 7.921 1.00 14.41 O ATOM 1811 CB VAL A 122 28.719 -11.136 6.557 1.00 35.23 C ATOM 1812 CG1 VAL A 122 28.215 -12.446 5.954 1.00 75.34 C ATOM 1813 CG2 VAL A 122 30.177 -10.882 6.166 1.00 51.30 C ATOM 0 H VAL A 122 28.791 -9.860 4.266 1.00 0.34 H new ATOM 0 HA VAL A 122 26.776 -10.179 6.388 1.00 21.01 H new ATOM 0 HB VAL A 122 28.676 -11.218 7.643 1.00 35.23 H new ATOM 0 HG11 VAL A 122 28.864 -13.264 6.267 1.00 75.34 H new ATOM 0 HG12 VAL A 122 27.199 -12.638 6.298 1.00 75.34 H new ATOM 0 HG13 VAL A 122 28.222 -12.372 4.867 1.00 75.34 H new ATOM 0 HG21 VAL A 122 30.790 -11.726 6.481 1.00 51.30 H new ATOM 0 HG22 VAL A 122 30.249 -10.765 5.085 1.00 51.30 H new ATOM 0 HG23 VAL A 122 30.532 -9.974 6.654 1.00 51.30 H new ATOM 1823 N SER A 123 27.778 -7.526 6.373 1.00 1.22 N ATOM 1824 CA SER A 123 28.120 -6.221 6.963 1.00 34.54 C ATOM 1825 C SER A 123 27.662 -6.088 8.425 1.00 4.02 C ATOM 1826 O SER A 123 26.557 -5.619 8.706 1.00 31.21 O ATOM 1827 CB SER A 123 27.525 -5.078 6.130 1.00 10.14 C ATOM 1828 OG SER A 123 28.164 -4.962 4.866 1.00 11.14 O ATOM 0 H SER A 123 27.179 -7.467 5.550 1.00 1.22 H new ATOM 0 HA SER A 123 29.208 -6.156 6.955 1.00 34.54 H new ATOM 0 HB2 SER A 123 26.459 -5.251 5.984 1.00 10.14 H new ATOM 0 HB3 SER A 123 27.625 -4.140 6.676 1.00 10.14 H new ATOM 0 HG SER A 123 27.759 -4.226 4.361 1.00 11.14 H new ATOM 1834 N ARG A 124 28.521 -6.522 9.345 1.00 34.23 N ATOM 1835 CA ARG A 124 28.287 -6.365 10.784 1.00 14.13 C ATOM 1836 C ARG A 124 29.623 -6.271 11.539 1.00 15.53 C ATOM 1837 O ARG A 124 30.321 -7.276 11.713 1.00 33.31 O ATOM 1838 CB ARG A 124 27.462 -7.538 11.337 1.00 13.23 C ATOM 1839 CG ARG A 124 27.220 -7.453 12.844 1.00 72.42 C ATOM 1840 CD ARG A 124 26.409 -8.633 13.367 1.00 34.04 C ATOM 1841 NE ARG A 124 25.076 -8.693 12.770 1.00 61.04 N ATOM 1842 CZ ARG A 124 23.960 -8.627 13.448 1.00 0.10 C ATOM 1843 NH1 ARG A 124 23.974 -8.531 14.743 1.00 2.44 N ATOM 1844 NH2 ARG A 124 22.825 -8.671 12.824 1.00 12.20 N ATOM 0 H ARG A 124 29.397 -6.992 9.118 1.00 34.23 H new ATOM 0 HA ARG A 124 27.726 -5.442 10.933 1.00 14.13 H new ATOM 0 HB2 ARG A 124 26.501 -7.571 10.824 1.00 13.23 H new ATOM 0 HB3 ARG A 124 27.976 -8.472 11.111 1.00 13.23 H new ATOM 0 HG2 ARG A 124 28.178 -7.415 13.362 1.00 72.42 H new ATOM 0 HG3 ARG A 124 26.697 -6.525 13.074 1.00 72.42 H new ATOM 0 HD2 ARG A 124 26.942 -9.560 13.156 1.00 34.04 H new ATOM 0 HD3 ARG A 124 26.317 -8.557 14.450 1.00 34.04 H new ATOM 0 HE ARG A 124 25.012 -8.793 11.757 1.00 61.04 H new ATOM 0 HH11 ARG A 124 24.863 -8.506 15.243 1.00 2.44 H new ATOM 0 HH12 ARG A 124 23.096 -8.480 15.260 1.00 2.44 H new ATOM 0 HH21 ARG A 124 22.805 -8.757 11.808 1.00 12.20 H new ATOM 0 HH22 ARG A 124 21.952 -8.620 13.349 1.00 12.20 H new ATOM 1858 N LEU A 125 29.976 -5.062 11.975 1.00 10.12 N ATOM 1859 CA LEU A 125 31.244 -4.835 12.677 1.00 74.03 C ATOM 1860 C LEU A 125 31.253 -3.480 13.408 1.00 65.25 C ATOM 1861 O LEU A 125 31.493 -2.433 12.800 1.00 62.15 O ATOM 1862 CB LEU A 125 32.414 -4.906 11.684 1.00 24.45 C ATOM 1863 CG LEU A 125 33.817 -4.854 12.312 1.00 55.22 C ATOM 1864 CD1 LEU A 125 34.049 -6.058 13.225 1.00 54.13 C ATOM 1865 CD2 LEU A 125 34.889 -4.779 11.227 1.00 15.14 C ATOM 0 H LEU A 125 29.405 -4.225 11.856 1.00 10.12 H new ATOM 0 HA LEU A 125 31.356 -5.618 13.427 1.00 74.03 H new ATOM 0 HB2 LEU A 125 32.326 -5.828 11.110 1.00 24.45 H new ATOM 0 HB3 LEU A 125 32.320 -4.081 10.978 1.00 24.45 H new ATOM 0 HG LEU A 125 33.885 -3.952 12.921 1.00 55.22 H new ATOM 0 HD11 LEU A 125 35.048 -5.999 13.658 1.00 54.13 H new ATOM 0 HD12 LEU A 125 33.307 -6.057 14.023 1.00 54.13 H new ATOM 0 HD13 LEU A 125 33.958 -6.977 12.646 1.00 54.13 H new ATOM 0 HD21 LEU A 125 35.875 -4.743 11.691 1.00 15.14 H new ATOM 0 HD22 LEU A 125 34.821 -5.659 10.587 1.00 15.14 H new ATOM 0 HD23 LEU A 125 34.737 -3.882 10.627 1.00 15.14 H new ATOM 1877 N GLU A 126 30.958 -3.506 14.706 1.00 1.23 N ATOM 1878 CA GLU A 126 31.003 -2.299 15.545 1.00 63.04 C ATOM 1879 C GLU A 126 31.413 -2.645 16.991 1.00 25.32 C ATOM 1880 O GLU A 126 30.872 -3.573 17.595 1.00 41.33 O ATOM 1881 CB GLU A 126 29.639 -1.575 15.530 1.00 13.41 C ATOM 1882 CG GLU A 126 28.474 -2.358 16.148 1.00 43.51 C ATOM 1883 CD GLU A 126 28.075 -3.589 15.346 1.00 23.34 C ATOM 1884 OE1 GLU A 126 27.228 -3.461 14.434 1.00 2.23 O ATOM 1885 OE2 GLU A 126 28.602 -4.685 15.627 1.00 4.35 O ATOM 0 H GLU A 126 30.683 -4.351 15.206 1.00 1.23 H new ATOM 0 HA GLU A 126 31.756 -1.629 15.130 1.00 63.04 H new ATOM 0 HB2 GLU A 126 29.742 -0.629 16.062 1.00 13.41 H new ATOM 0 HB3 GLU A 126 29.386 -1.334 14.498 1.00 13.41 H new ATOM 0 HG2 GLU A 126 28.748 -2.665 17.157 1.00 43.51 H new ATOM 0 HG3 GLU A 126 27.611 -1.698 16.239 1.00 43.51 H new ATOM 1892 N HIS A 127 32.385 -1.908 17.539 1.00 51.11 N ATOM 1893 CA HIS A 127 32.895 -2.178 18.893 1.00 21.14 C ATOM 1894 C HIS A 127 33.235 -0.886 19.662 1.00 52.43 C ATOM 1895 O HIS A 127 34.238 -0.226 19.386 1.00 22.03 O ATOM 1896 CB HIS A 127 34.135 -3.081 18.824 1.00 63.15 C ATOM 1897 CG HIS A 127 33.853 -4.447 18.270 1.00 43.42 C ATOM 1898 ND1 HIS A 127 34.360 -4.902 17.071 1.00 65.03 N ATOM 1899 CD2 HIS A 127 33.104 -5.461 18.762 1.00 22.12 C ATOM 1900 CE1 HIS A 127 33.935 -6.128 16.848 1.00 64.42 C ATOM 1901 NE2 HIS A 127 33.174 -6.489 17.858 1.00 63.43 N ATOM 0 H HIS A 127 32.835 -1.122 17.070 1.00 51.11 H new ATOM 0 HA HIS A 127 32.098 -2.685 19.438 1.00 21.14 H new ATOM 0 HB2 HIS A 127 34.893 -2.597 18.207 1.00 63.15 H new ATOM 0 HB3 HIS A 127 34.556 -3.183 19.824 1.00 63.15 H new ATOM 0 HD2 HIS A 127 32.555 -5.460 19.692 1.00 22.12 H new ATOM 0 HE1 HIS A 127 34.171 -6.733 15.985 1.00 64.42 H new ATOM 0 HE2 HIS A 127 32.709 -7.392 17.954 1.00 63.43 H new ATOM 1910 N HIS A 128 32.387 -0.538 20.627 1.00 2.14 N ATOM 1911 CA HIS A 128 32.612 0.610 21.516 1.00 51.33 C ATOM 1912 C HIS A 128 32.018 0.331 22.904 1.00 71.31 C ATOM 1913 O HIS A 128 30.891 -0.153 23.016 1.00 72.45 O ATOM 1914 CB HIS A 128 31.990 1.888 20.938 1.00 55.34 C ATOM 1915 CG HIS A 128 32.653 2.377 19.689 1.00 53.23 C ATOM 1916 ND1 HIS A 128 32.021 2.422 18.465 1.00 74.43 N ATOM 1917 CD2 HIS A 128 33.902 2.856 19.479 1.00 40.43 C ATOM 1918 CE1 HIS A 128 32.850 2.900 17.562 1.00 14.41 C ATOM 1919 NE2 HIS A 128 33.993 3.170 18.150 1.00 75.14 N ATOM 0 H HIS A 128 31.521 -1.042 20.819 1.00 2.14 H new ATOM 0 HA HIS A 128 33.688 0.758 21.604 1.00 51.33 H new ATOM 0 HB2 HIS A 128 30.936 1.705 20.730 1.00 55.34 H new ATOM 0 HB3 HIS A 128 32.034 2.674 21.692 1.00 55.34 H new ATOM 0 HD2 HIS A 128 34.679 2.969 20.220 1.00 40.43 H new ATOM 0 HE1 HIS A 128 32.628 3.046 16.515 1.00 14.41 H new ATOM 0 HE2 HIS A 128 34.818 3.553 17.689 1.00 75.14 H new ATOM 1928 N HIS A 129 32.762 0.651 23.957 1.00 35.11 N ATOM 1929 CA HIS A 129 32.336 0.327 25.323 1.00 53.10 C ATOM 1930 C HIS A 129 32.767 1.409 26.328 1.00 5.31 C ATOM 1931 O HIS A 129 33.786 2.078 26.140 1.00 71.11 O ATOM 1932 CB HIS A 129 32.926 -1.035 25.718 1.00 24.14 C ATOM 1933 CG HIS A 129 32.468 -1.545 27.046 1.00 71.14 C ATOM 1934 ND1 HIS A 129 33.102 -1.232 28.228 1.00 34.35 N ATOM 1935 CD2 HIS A 129 31.442 -2.360 27.379 1.00 71.32 C ATOM 1936 CE1 HIS A 129 32.487 -1.830 29.227 1.00 12.30 C ATOM 1937 NE2 HIS A 129 31.477 -2.519 28.741 1.00 44.00 N ATOM 0 H HIS A 129 33.659 1.132 23.897 1.00 35.11 H new ATOM 0 HA HIS A 129 31.247 0.284 25.347 1.00 53.10 H new ATOM 0 HB2 HIS A 129 32.666 -1.766 24.952 1.00 24.14 H new ATOM 0 HB3 HIS A 129 34.013 -0.957 25.728 1.00 24.14 H new ATOM 0 HD2 HIS A 129 30.729 -2.803 26.700 1.00 71.32 H new ATOM 0 HE1 HIS A 129 32.765 -1.766 30.269 1.00 12.30 H new ATOM 0 HE2 HIS A 129 30.825 -3.081 29.289 1.00 44.00 H new ATOM 1946 N HIS A 130 31.972 1.585 27.385 1.00 64.11 N ATOM 1947 CA HIS A 130 32.301 2.519 28.472 1.00 71.52 C ATOM 1948 C HIS A 130 32.377 1.797 29.827 1.00 4.12 C ATOM 1949 O HIS A 130 31.578 0.902 30.112 1.00 64.12 O ATOM 1950 CB HIS A 130 31.259 3.645 28.560 1.00 50.30 C ATOM 1951 CG HIS A 130 31.297 4.614 27.414 1.00 54.43 C ATOM 1952 ND1 HIS A 130 30.205 4.894 26.627 1.00 44.21 N ATOM 1953 CD2 HIS A 130 32.297 5.402 26.954 1.00 64.15 C ATOM 1954 CE1 HIS A 130 30.527 5.806 25.737 1.00 14.53 C ATOM 1955 NE2 HIS A 130 31.789 6.137 25.910 1.00 30.30 N ATOM 0 H HIS A 130 31.089 1.091 27.515 1.00 64.11 H new ATOM 0 HA HIS A 130 33.278 2.945 28.243 1.00 71.52 H new ATOM 0 HB2 HIS A 130 30.265 3.201 28.612 1.00 50.30 H new ATOM 0 HB3 HIS A 130 31.412 4.194 29.489 1.00 50.30 H new ATOM 0 HD2 HIS A 130 33.306 5.445 27.336 1.00 64.15 H new ATOM 0 HE1 HIS A 130 29.866 6.216 24.988 1.00 14.53 H new ATOM 0 HE2 HIS A 130 32.304 6.825 25.361 1.00 30.30 H new ATOM 1964 N HIS A 131 33.333 2.192 30.664 1.00 1.23 N ATOM 1965 CA HIS A 131 33.479 1.605 32.002 1.00 31.04 C ATOM 1966 C HIS A 131 32.472 2.220 32.987 1.00 24.40 C ATOM 1967 O HIS A 131 32.451 3.437 33.188 1.00 33.35 O ATOM 1968 CB HIS A 131 34.910 1.810 32.520 1.00 4.53 C ATOM 1969 CG HIS A 131 35.159 1.217 33.879 1.00 4.12 C ATOM 1970 ND1 HIS A 131 35.166 1.960 35.039 1.00 62.04 N ATOM 1971 CD2 HIS A 131 35.421 -0.055 34.257 1.00 4.01 C ATOM 1972 CE1 HIS A 131 35.419 1.174 36.065 1.00 54.33 C ATOM 1973 NE2 HIS A 131 35.578 -0.054 35.622 1.00 53.31 N ATOM 0 H HIS A 131 34.019 2.914 30.444 1.00 1.23 H new ATOM 0 HA HIS A 131 33.276 0.537 31.925 1.00 31.04 H new ATOM 0 HB2 HIS A 131 35.609 1.370 31.809 1.00 4.53 H new ATOM 0 HB3 HIS A 131 35.123 2.878 32.557 1.00 4.53 H new ATOM 0 HD2 HIS A 131 35.493 -0.913 33.606 1.00 4.01 H new ATOM 0 HE1 HIS A 131 35.485 1.486 37.097 1.00 54.33 H new ATOM 0 HE2 HIS A 131 35.784 -0.871 36.197 1.00 53.31 H new ATOM 1982 N HIS A 132 31.646 1.381 33.607 1.00 2.00 N ATOM 1983 CA HIS A 132 30.639 1.862 34.564 1.00 14.41 C ATOM 1984 C HIS A 132 31.294 2.448 35.823 1.00 45.31 C ATOM 1985 O HIS A 132 32.343 1.976 36.273 1.00 75.50 O ATOM 1986 CB HIS A 132 29.662 0.737 34.941 1.00 71.15 C ATOM 1987 CG HIS A 132 30.283 -0.410 35.680 1.00 55.10 C ATOM 1988 ND1 HIS A 132 30.631 -1.596 35.073 1.00 30.23 N ATOM 1989 CD2 HIS A 132 30.597 -0.557 36.990 1.00 62.43 C ATOM 1990 CE1 HIS A 132 31.128 -2.420 35.972 1.00 2.14 C ATOM 1991 NE2 HIS A 132 31.119 -1.815 37.142 1.00 15.13 N ATOM 0 H HIS A 132 31.649 0.370 33.469 1.00 2.00 H new ATOM 0 HA HIS A 132 30.079 2.660 34.076 1.00 14.41 H new ATOM 0 HB2 HIS A 132 28.864 1.157 35.554 1.00 71.15 H new ATOM 0 HB3 HIS A 132 29.198 0.357 34.031 1.00 71.15 H new ATOM 0 HD2 HIS A 132 30.461 0.179 37.768 1.00 62.43 H new ATOM 0 HE1 HIS A 132 31.483 -3.422 35.782 1.00 2.14 H new ATOM 0 HE2 HIS A 132 31.448 -2.218 38.020 1.00 15.13 H new TER 2000 HIS A 132