USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 945 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 85 TYR OH : rot -56:sc= -0.978! USER MOD Set 1.2: A 93 TYR OH : rot 72:sc= 1.3 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -140:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= -2.77 K(o=-2.8,f=-12!) USER MOD Set 3.1: A 40 GLN : amide:sc= -1.82 K(o=-2.5,f=-3.5!) USER MOD Set 3.2: A 75 TYR OH : rot -111:sc= -0.684 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= -0.0102 USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0204 (180deg=-0.195) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.39) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -1.2 (180deg=-2.63!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 171:sc= 0.958 USER MOD Single : A 38 MET CE :methyl -146:sc= -4.8 (180deg=-10.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -78:sc= 0.063 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -63:sc= 0.789 USER MOD Single : A 59 SER OG : rot -160:sc= -0.58 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0863) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 0.199 (180deg=0.0927) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.524 F(o=-2.9!,f=-0.52) USER MOD Single : A 73 THR OG1 : rot 140:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.106 F(o=-1.4,f=-0.11) USER MOD Single : A 77 HIS : no HE2:sc= -0.933 X(o=-0.93,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 100 GLN : amide:sc= -1.12 K(o=-1.1,f=-7.9!) USER MOD Single : A 102 SER OG : rot -76:sc= 0.116 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -31:sc= 0.04 USER MOD Single : A 114 THR OG1 : rot -160:sc= -0.0855 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 30:sc= -0.88 USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.802 F(o=-1.6,f=-0.8) USER MOD Single : A 127 GLN : amide:sc= -0.0129 K(o=-0.013,f=-1.3!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.613 -1.001 -2.204 1.00 52.03 N ATOM 2 CA MET A 1 -8.444 0.227 -1.436 1.00 52.34 C ATOM 3 C MET A 1 -7.470 0.017 -0.282 1.00 21.12 C ATOM 4 O MET A 1 -7.847 -0.485 0.777 1.00 63.02 O ATOM 5 CB MET A 1 -9.794 0.708 -0.899 1.00 64.03 C ATOM 6 CG MET A 1 -10.681 1.338 -1.961 1.00 22.12 C ATOM 7 SD MET A 1 -12.151 0.355 -2.310 1.00 71.52 S ATOM 8 CE MET A 1 -13.044 0.521 -0.767 1.00 32.44 C ATOM 0 H1 MET A 1 -9.280 -0.834 -2.984 1.00 52.03 H new ATOM 0 H2 MET A 1 -7.695 -1.297 -2.592 1.00 52.03 H new ATOM 0 H3 MET A 1 -8.985 -1.749 -1.585 1.00 52.03 H new ATOM 0 HA MET A 1 -8.034 0.988 -2.100 1.00 52.34 H new ATOM 0 HB2 MET A 1 -10.320 -0.136 -0.452 1.00 64.03 H new ATOM 0 HB3 MET A 1 -9.622 1.433 -0.104 1.00 64.03 H new ATOM 0 HG2 MET A 1 -10.983 2.333 -1.633 1.00 22.12 H new ATOM 0 HG3 MET A 1 -10.107 1.465 -2.879 1.00 22.12 H new ATOM 0 HE1 MET A 1 -14.096 0.287 -0.929 1.00 32.44 H new ATOM 0 HE2 MET A 1 -12.629 -0.167 -0.030 1.00 32.44 H new ATOM 0 HE3 MET A 1 -12.952 1.544 -0.401 1.00 32.44 H new ATOM 18 N ALA A 2 -6.216 0.404 -0.493 1.00 71.54 N ATOM 19 CA ALA A 2 -5.189 0.258 0.530 1.00 2.45 C ATOM 20 C ALA A 2 -3.933 1.042 0.163 1.00 13.13 C ATOM 21 O ALA A 2 -3.702 1.351 -1.006 1.00 43.14 O ATOM 22 CB ALA A 2 -4.854 -1.211 0.738 1.00 73.31 C ATOM 0 H ALA A 2 -5.887 0.821 -1.364 1.00 71.54 H new ATOM 0 HA ALA A 2 -5.581 0.665 1.462 1.00 2.45 H new ATOM 0 HB1 ALA A 2 -4.085 -1.304 1.505 1.00 73.31 H new ATOM 0 HB2 ALA A 2 -5.749 -1.747 1.054 1.00 73.31 H new ATOM 0 HB3 ALA A 2 -4.487 -1.636 -0.196 1.00 73.31 H new ATOM 28 N LEU A 3 -3.126 1.361 1.169 1.00 41.53 N ATOM 29 CA LEU A 3 -1.893 2.110 0.952 1.00 40.45 C ATOM 30 C LEU A 3 -2.161 3.380 0.150 1.00 70.14 C ATOM 31 O LEU A 3 -1.544 3.611 -0.890 1.00 70.04 O ATOM 32 CB LEU A 3 -0.866 1.241 0.224 1.00 73.14 C ATOM 33 CG LEU A 3 0.568 1.771 0.202 1.00 54.53 C ATOM 34 CD1 LEU A 3 1.185 1.698 1.589 1.00 22.15 C ATOM 35 CD2 LEU A 3 1.409 0.994 -0.800 1.00 53.13 C ATOM 0 H LEU A 3 -3.303 1.113 2.142 1.00 41.53 H new ATOM 0 HA LEU A 3 -1.494 2.394 1.926 1.00 40.45 H new ATOM 0 HB2 LEU A 3 -0.860 0.255 0.688 1.00 73.14 H new ATOM 0 HB3 LEU A 3 -1.198 1.107 -0.805 1.00 73.14 H new ATOM 0 HG LEU A 3 0.544 2.816 -0.108 1.00 54.53 H new ATOM 0 HD11 LEU A 3 2.206 2.079 1.554 1.00 22.15 H new ATOM 0 HD12 LEU A 3 0.596 2.300 2.281 1.00 22.15 H new ATOM 0 HD13 LEU A 3 1.196 0.662 1.928 1.00 22.15 H new ATOM 0 HD21 LEU A 3 2.426 1.385 -0.802 1.00 53.13 H new ATOM 0 HD22 LEU A 3 1.426 -0.060 -0.521 1.00 53.13 H new ATOM 0 HD23 LEU A 3 0.978 1.099 -1.796 1.00 53.13 H new ATOM 47 N ASP A 4 -3.083 4.200 0.641 1.00 12.11 N ATOM 48 CA ASP A 4 -3.431 5.448 -0.028 1.00 2.41 C ATOM 49 C ASP A 4 -3.598 6.578 0.983 1.00 12.51 C ATOM 50 O ASP A 4 -4.075 7.662 0.645 1.00 64.50 O ATOM 51 CB ASP A 4 -4.717 5.277 -0.837 1.00 71.04 C ATOM 52 CG ASP A 4 -4.473 5.337 -2.332 1.00 64.44 C ATOM 53 OD1 ASP A 4 -4.033 4.316 -2.902 1.00 55.35 O ATOM 54 OD2 ASP A 4 -4.720 6.404 -2.932 1.00 44.03 O ATOM 0 H ASP A 4 -3.603 4.023 1.500 1.00 12.11 H new ATOM 0 HA ASP A 4 -2.617 5.707 -0.705 1.00 2.41 H new ATOM 0 HB2 ASP A 4 -5.177 4.321 -0.585 1.00 71.04 H new ATOM 0 HB3 ASP A 4 -5.426 6.056 -0.556 1.00 71.04 H new ATOM 59 N ALA A 5 -3.204 6.317 2.225 1.00 11.52 N ATOM 60 CA ALA A 5 -3.310 7.313 3.285 1.00 23.52 C ATOM 61 C ALA A 5 -4.709 7.916 3.335 1.00 74.45 C ATOM 62 O ALA A 5 -5.636 7.409 2.703 1.00 10.43 O ATOM 63 CB ALA A 5 -2.269 8.405 3.089 1.00 21.11 C ATOM 0 H ALA A 5 -2.809 5.425 2.522 1.00 11.52 H new ATOM 0 HA ALA A 5 -3.124 6.815 4.237 1.00 23.52 H new ATOM 0 HB1 ALA A 5 -2.360 9.142 3.887 1.00 21.11 H new ATOM 0 HB2 ALA A 5 -1.272 7.965 3.112 1.00 21.11 H new ATOM 0 HB3 ALA A 5 -2.429 8.891 2.127 1.00 21.11 H new ATOM 69 N ASN A 6 -4.855 9.000 4.089 1.00 33.34 N ATOM 70 CA ASN A 6 -6.143 9.671 4.222 1.00 52.11 C ATOM 71 C ASN A 6 -7.164 8.761 4.898 1.00 72.11 C ATOM 72 O ASN A 6 -8.372 8.949 4.751 1.00 60.22 O ATOM 73 CB ASN A 6 -6.660 10.104 2.848 1.00 21.04 C ATOM 74 CG ASN A 6 -7.838 11.053 2.947 1.00 53.32 C ATOM 75 OD1 ASN A 6 -7.724 12.147 3.500 1.00 41.33 O ATOM 76 ND2 ASN A 6 -8.979 10.638 2.409 1.00 33.55 N ATOM 0 H ASN A 6 -4.097 9.433 4.617 1.00 33.34 H new ATOM 0 HA ASN A 6 -6.002 10.554 4.845 1.00 52.11 H new ATOM 0 HB2 ASN A 6 -5.854 10.586 2.295 1.00 21.04 H new ATOM 0 HB3 ASN A 6 -6.954 9.222 2.279 1.00 21.04 H new ATOM 0 HD21 ASN A 6 -9.806 11.234 2.444 1.00 33.55 H new ATOM 0 HD22 ASN A 6 -9.028 9.723 1.960 1.00 33.55 H new ATOM 83 N ASP A 7 -6.670 7.775 5.639 1.00 14.43 N ATOM 84 CA ASP A 7 -7.539 6.837 6.340 1.00 70.31 C ATOM 85 C ASP A 7 -8.199 5.872 5.360 1.00 55.12 C ATOM 86 O ASP A 7 -8.976 5.002 5.756 1.00 14.43 O ATOM 87 CB ASP A 7 -8.609 7.591 7.131 1.00 45.40 C ATOM 88 CG ASP A 7 -10.013 7.272 6.656 1.00 4.25 C ATOM 89 OD1 ASP A 7 -10.493 7.951 5.725 1.00 52.51 O ATOM 90 OD2 ASP A 7 -10.631 6.343 7.216 1.00 24.30 O ATOM 0 H ASP A 7 -5.673 7.605 5.770 1.00 14.43 H new ATOM 0 HA ASP A 7 -6.926 6.261 7.033 1.00 70.31 H new ATOM 0 HB2 ASP A 7 -8.520 7.339 8.188 1.00 45.40 H new ATOM 0 HB3 ASP A 7 -8.434 8.663 7.043 1.00 45.40 H new ATOM 95 N LEU A 8 -7.887 6.032 4.079 1.00 43.33 N ATOM 96 CA LEU A 8 -8.450 5.176 3.041 1.00 55.33 C ATOM 97 C LEU A 8 -8.064 3.718 3.268 1.00 52.31 C ATOM 98 O LEU A 8 -8.705 2.806 2.744 1.00 40.11 O ATOM 99 CB LEU A 8 -7.974 5.633 1.661 1.00 43.02 C ATOM 100 CG LEU A 8 -8.546 6.959 1.158 1.00 4.00 C ATOM 101 CD1 LEU A 8 -8.029 7.268 -0.239 1.00 30.24 C ATOM 102 CD2 LEU A 8 -10.067 6.923 1.170 1.00 21.50 C ATOM 0 H LEU A 8 -7.247 6.747 3.734 1.00 43.33 H new ATOM 0 HA LEU A 8 -9.536 5.256 3.089 1.00 55.33 H new ATOM 0 HB2 LEU A 8 -6.887 5.714 1.682 1.00 43.02 H new ATOM 0 HB3 LEU A 8 -8.222 4.856 0.938 1.00 43.02 H new ATOM 0 HG LEU A 8 -8.216 7.752 1.829 1.00 4.00 H new ATOM 0 HD11 LEU A 8 -8.447 8.215 -0.580 1.00 30.24 H new ATOM 0 HD12 LEU A 8 -6.941 7.338 -0.217 1.00 30.24 H new ATOM 0 HD13 LEU A 8 -8.328 6.473 -0.922 1.00 30.24 H new ATOM 0 HD21 LEU A 8 -10.456 7.875 0.809 1.00 21.50 H new ATOM 0 HD22 LEU A 8 -10.417 6.119 0.523 1.00 21.50 H new ATOM 0 HD23 LEU A 8 -10.419 6.749 2.187 1.00 21.50 H new ATOM 114 N LEU A 9 -7.014 3.506 4.054 1.00 74.54 N ATOM 115 CA LEU A 9 -6.543 2.158 4.353 1.00 75.42 C ATOM 116 C LEU A 9 -6.854 1.781 5.798 1.00 71.42 C ATOM 117 O LEU A 9 -7.073 2.637 6.655 1.00 30.42 O ATOM 118 CB LEU A 9 -5.039 2.054 4.099 1.00 64.21 C ATOM 119 CG LEU A 9 -4.224 3.321 4.362 1.00 15.13 C ATOM 120 CD1 LEU A 9 -4.432 3.801 5.790 1.00 3.52 C ATOM 121 CD2 LEU A 9 -2.748 3.073 4.090 1.00 30.41 C ATOM 0 H LEU A 9 -6.473 4.250 4.495 1.00 74.54 H new ATOM 0 HA LEU A 9 -7.065 1.463 3.695 1.00 75.42 H new ATOM 0 HB2 LEU A 9 -4.640 1.254 4.722 1.00 64.21 H new ATOM 0 HB3 LEU A 9 -4.886 1.756 3.062 1.00 64.21 H new ATOM 0 HG LEU A 9 -4.571 4.101 3.684 1.00 15.13 H new ATOM 0 HD11 LEU A 9 -3.845 4.703 5.960 1.00 3.52 H new ATOM 0 HD12 LEU A 9 -5.488 4.020 5.950 1.00 3.52 H new ATOM 0 HD13 LEU A 9 -4.113 3.024 6.485 1.00 3.52 H new ATOM 0 HD21 LEU A 9 -2.184 3.986 4.283 1.00 30.41 H new ATOM 0 HD22 LEU A 9 -2.386 2.278 4.743 1.00 30.41 H new ATOM 0 HD23 LEU A 9 -2.615 2.777 3.050 1.00 30.41 H new ATOM 133 N PRO A 10 -6.872 0.469 6.077 1.00 72.35 N ATOM 134 CA PRO A 10 -7.152 -0.052 7.418 1.00 1.21 C ATOM 135 C PRO A 10 -6.023 0.241 8.400 1.00 10.25 C ATOM 136 O PRO A 10 -4.871 0.444 8.017 1.00 62.41 O ATOM 137 CB PRO A 10 -7.287 -1.560 7.193 1.00 45.24 C ATOM 138 CG PRO A 10 -6.487 -1.832 5.966 1.00 65.33 C ATOM 139 CD PRO A 10 -6.620 -0.608 5.104 1.00 54.44 C ATOM 0 HA PRO A 10 -8.038 0.408 7.857 1.00 1.21 H new ATOM 0 HB2 PRO A 10 -6.908 -2.123 8.046 1.00 45.24 H new ATOM 0 HB3 PRO A 10 -8.329 -1.849 7.058 1.00 45.24 H new ATOM 0 HG2 PRO A 10 -5.443 -2.022 6.215 1.00 65.33 H new ATOM 0 HG3 PRO A 10 -6.857 -2.716 5.447 1.00 65.33 H new ATOM 0 HD2 PRO A 10 -5.715 -0.423 4.526 1.00 54.44 H new ATOM 0 HD3 PRO A 10 -7.439 -0.705 4.391 1.00 54.44 H new ATOM 147 N PRO A 11 -6.359 0.264 9.699 1.00 44.41 N ATOM 148 CA PRO A 11 -5.386 0.531 10.763 1.00 33.22 C ATOM 149 C PRO A 11 -4.392 -0.612 10.940 1.00 75.23 C ATOM 150 O PRO A 11 -3.443 -0.506 11.715 1.00 62.11 O ATOM 151 CB PRO A 11 -6.259 0.678 12.012 1.00 0.31 C ATOM 152 CG PRO A 11 -7.490 -0.105 11.709 1.00 43.51 C ATOM 153 CD PRO A 11 -7.713 0.032 10.228 1.00 0.01 C ATOM 0 HA PRO A 11 -4.775 1.408 10.547 1.00 33.22 H new ATOM 0 HB2 PRO A 11 -5.752 0.292 12.897 1.00 0.31 H new ATOM 0 HB3 PRO A 11 -6.494 1.724 12.210 1.00 0.31 H new ATOM 0 HG2 PRO A 11 -7.366 -1.151 11.990 1.00 43.51 H new ATOM 0 HG3 PRO A 11 -8.343 0.277 12.269 1.00 43.51 H new ATOM 0 HD2 PRO A 11 -8.161 -0.867 9.804 1.00 0.01 H new ATOM 0 HD3 PRO A 11 -8.382 0.861 9.997 1.00 0.01 H new ATOM 161 N GLU A 12 -4.618 -1.704 10.215 1.00 0.31 N ATOM 162 CA GLU A 12 -3.741 -2.866 10.293 1.00 32.34 C ATOM 163 C GLU A 12 -2.434 -2.613 9.548 1.00 1.11 C ATOM 164 O GLU A 12 -1.354 -2.952 10.032 1.00 2.44 O ATOM 165 CB GLU A 12 -4.440 -4.099 9.716 1.00 65.21 C ATOM 166 CG GLU A 12 -4.901 -3.920 8.279 1.00 30.33 C ATOM 167 CD GLU A 12 -6.209 -4.632 7.994 1.00 71.22 C ATOM 168 OE1 GLU A 12 -7.189 -4.388 8.728 1.00 12.04 O ATOM 169 OE2 GLU A 12 -6.253 -5.433 7.037 1.00 61.11 O ATOM 0 H GLU A 12 -5.400 -1.808 9.568 1.00 0.31 H new ATOM 0 HA GLU A 12 -3.511 -3.046 11.343 1.00 32.34 H new ATOM 0 HB2 GLU A 12 -3.760 -4.949 9.767 1.00 65.21 H new ATOM 0 HB3 GLU A 12 -5.302 -4.342 10.338 1.00 65.21 H new ATOM 0 HG2 GLU A 12 -5.017 -2.857 8.068 1.00 30.33 H new ATOM 0 HG3 GLU A 12 -4.132 -4.297 7.605 1.00 30.33 H new ATOM 176 N LYS A 13 -2.540 -2.015 8.366 1.00 22.22 N ATOM 177 CA LYS A 13 -1.368 -1.715 7.552 1.00 1.24 C ATOM 178 C LYS A 13 -0.968 -0.250 7.694 1.00 11.42 C ATOM 179 O LYS A 13 0.101 0.158 7.242 1.00 43.20 O ATOM 180 CB LYS A 13 -1.645 -2.039 6.083 1.00 53.23 C ATOM 181 CG LYS A 13 -2.781 -1.227 5.485 1.00 41.54 C ATOM 182 CD LYS A 13 -2.285 -0.297 4.389 1.00 32.34 C ATOM 183 CE LYS A 13 -1.665 -1.074 3.238 1.00 3.11 C ATOM 184 NZ LYS A 13 -0.188 -0.890 3.177 1.00 53.53 N ATOM 0 H LYS A 13 -3.426 -1.728 7.950 1.00 22.22 H new ATOM 0 HA LYS A 13 -0.543 -2.335 7.905 1.00 1.24 H new ATOM 0 HB2 LYS A 13 -0.739 -1.862 5.504 1.00 53.23 H new ATOM 0 HB3 LYS A 13 -1.880 -3.099 5.992 1.00 53.23 H new ATOM 0 HG2 LYS A 13 -3.536 -1.900 5.078 1.00 41.54 H new ATOM 0 HG3 LYS A 13 -3.264 -0.643 6.268 1.00 41.54 H new ATOM 0 HD2 LYS A 13 -3.114 0.305 4.018 1.00 32.34 H new ATOM 0 HD3 LYS A 13 -1.549 0.394 4.801 1.00 32.34 H new ATOM 0 HE2 LYS A 13 -1.895 -2.134 3.350 1.00 3.11 H new ATOM 0 HE3 LYS A 13 -2.111 -0.748 2.298 1.00 3.11 H new ATOM 0 HZ1 LYS A 13 0.140 -1.036 2.201 1.00 53.53 H new ATOM 0 HZ2 LYS A 13 0.055 0.074 3.483 1.00 53.53 H new ATOM 0 HZ3 LYS A 13 0.274 -1.579 3.804 1.00 53.53 H new ATOM 198 N ALA A 14 -1.833 0.537 8.326 1.00 34.30 N ATOM 199 CA ALA A 14 -1.568 1.955 8.530 1.00 14.33 C ATOM 200 C ALA A 14 -0.399 2.163 9.487 1.00 51.23 C ATOM 201 O ALA A 14 0.245 3.212 9.477 1.00 41.41 O ATOM 202 CB ALA A 14 -2.813 2.654 9.056 1.00 54.51 C ATOM 0 H ALA A 14 -2.724 0.216 8.705 1.00 34.30 H new ATOM 0 HA ALA A 14 -1.298 2.391 7.568 1.00 14.33 H new ATOM 0 HB1 ALA A 14 -2.601 3.713 9.204 1.00 54.51 H new ATOM 0 HB2 ALA A 14 -3.624 2.544 8.336 1.00 54.51 H new ATOM 0 HB3 ALA A 14 -3.108 2.207 10.005 1.00 54.51 H new ATOM 208 N PHE A 15 -0.130 1.157 10.313 1.00 52.44 N ATOM 209 CA PHE A 15 0.961 1.231 11.277 1.00 21.00 C ATOM 210 C PHE A 15 2.029 0.184 10.971 1.00 14.43 C ATOM 211 O PHE A 15 1.720 -0.986 10.745 1.00 1.21 O ATOM 212 CB PHE A 15 0.429 1.033 12.698 1.00 73.23 C ATOM 213 CG PHE A 15 -0.800 1.844 12.996 1.00 23.01 C ATOM 214 CD1 PHE A 15 -0.807 3.215 12.794 1.00 62.32 C ATOM 215 CD2 PHE A 15 -1.947 1.236 13.478 1.00 34.23 C ATOM 216 CE1 PHE A 15 -1.936 3.963 13.068 1.00 5.53 C ATOM 217 CE2 PHE A 15 -3.079 1.979 13.754 1.00 14.43 C ATOM 218 CZ PHE A 15 -3.074 3.345 13.548 1.00 64.10 C ATOM 0 H PHE A 15 -0.653 0.281 10.334 1.00 52.44 H new ATOM 0 HA PHE A 15 1.414 2.220 11.201 1.00 21.00 H new ATOM 0 HB2 PHE A 15 0.204 -0.023 12.849 1.00 73.23 H new ATOM 0 HB3 PHE A 15 1.211 1.297 13.410 1.00 73.23 H new ATOM 0 HD1 PHE A 15 0.080 3.704 12.418 1.00 62.32 H new ATOM 0 HD2 PHE A 15 -1.957 0.168 13.640 1.00 34.23 H new ATOM 0 HE1 PHE A 15 -1.929 5.031 12.907 1.00 5.53 H new ATOM 0 HE2 PHE A 15 -3.967 1.492 14.130 1.00 14.43 H new ATOM 0 HZ PHE A 15 -3.958 3.928 13.762 1.00 64.10 H new ATOM 228 N VAL A 16 3.286 0.615 10.966 1.00 63.34 N ATOM 229 CA VAL A 16 4.401 -0.284 10.688 1.00 15.13 C ATOM 230 C VAL A 16 5.406 -0.283 11.834 1.00 12.25 C ATOM 231 O VAL A 16 6.427 0.403 11.796 1.00 5.14 O ATOM 232 CB VAL A 16 5.124 0.105 9.385 1.00 31.42 C ATOM 233 CG1 VAL A 16 6.144 -0.957 9.003 1.00 32.45 C ATOM 234 CG2 VAL A 16 4.120 0.319 8.263 1.00 50.34 C ATOM 0 H VAL A 16 3.558 1.580 11.151 1.00 63.34 H new ATOM 0 HA VAL A 16 3.982 -1.284 10.577 1.00 15.13 H new ATOM 0 HB VAL A 16 5.655 1.042 9.550 1.00 31.42 H new ATOM 0 HG11 VAL A 16 6.645 -0.665 8.080 1.00 32.45 H new ATOM 0 HG12 VAL A 16 6.881 -1.057 9.800 1.00 32.45 H new ATOM 0 HG13 VAL A 16 5.638 -1.911 8.855 1.00 32.45 H new ATOM 0 HG21 VAL A 16 4.648 0.593 7.350 1.00 50.34 H new ATOM 0 HG22 VAL A 16 3.560 -0.601 8.096 1.00 50.34 H new ATOM 0 HG23 VAL A 16 3.432 1.118 8.538 1.00 50.34 H new ATOM 244 N PRO A 17 5.112 -1.070 12.880 1.00 12.10 N ATOM 245 CA PRO A 17 5.978 -1.178 14.058 1.00 62.35 C ATOM 246 C PRO A 17 7.283 -1.905 13.752 1.00 62.40 C ATOM 247 O PRO A 17 7.287 -2.935 13.078 1.00 30.02 O ATOM 248 CB PRO A 17 5.134 -1.987 15.046 1.00 61.23 C ATOM 249 CG PRO A 17 4.202 -2.775 14.191 1.00 23.34 C ATOM 250 CD PRO A 17 3.911 -1.915 12.993 1.00 2.10 C ATOM 0 HA PRO A 17 6.278 -0.200 14.435 1.00 62.35 H new ATOM 0 HB2 PRO A 17 5.757 -2.639 15.658 1.00 61.23 H new ATOM 0 HB3 PRO A 17 4.589 -1.335 15.728 1.00 61.23 H new ATOM 0 HG2 PRO A 17 4.653 -3.721 13.892 1.00 23.34 H new ATOM 0 HG3 PRO A 17 3.286 -3.015 14.731 1.00 23.34 H new ATOM 0 HD2 PRO A 17 3.756 -2.515 12.096 1.00 2.10 H new ATOM 0 HD3 PRO A 17 3.011 -1.317 13.137 1.00 2.10 H new ATOM 258 N GLU A 18 8.389 -1.363 14.252 1.00 11.23 N ATOM 259 CA GLU A 18 9.700 -1.961 14.031 1.00 22.34 C ATOM 260 C GLU A 18 10.522 -1.961 15.317 1.00 11.03 C ATOM 261 O GLU A 18 10.666 -0.930 15.976 1.00 53.24 O ATOM 262 CB GLU A 18 10.451 -1.206 12.933 1.00 65.31 C ATOM 263 CG GLU A 18 11.585 -2.005 12.312 1.00 43.41 C ATOM 264 CD GLU A 18 12.621 -1.123 11.642 1.00 51.24 C ATOM 265 OE1 GLU A 18 13.144 -0.208 12.311 1.00 43.34 O ATOM 266 OE2 GLU A 18 12.908 -1.349 10.447 1.00 12.32 O ATOM 0 H GLU A 18 8.403 -0.511 14.813 1.00 11.23 H new ATOM 0 HA GLU A 18 9.551 -2.994 13.715 1.00 22.34 H new ATOM 0 HB2 GLU A 18 9.746 -0.923 12.151 1.00 65.31 H new ATOM 0 HB3 GLU A 18 10.854 -0.282 13.349 1.00 65.31 H new ATOM 0 HG2 GLU A 18 12.068 -2.604 13.084 1.00 43.41 H new ATOM 0 HG3 GLU A 18 11.176 -2.700 11.579 1.00 43.41 H new ATOM 273 N LEU A 19 11.059 -3.124 15.669 1.00 14.05 N ATOM 274 CA LEU A 19 11.866 -3.260 16.877 1.00 50.31 C ATOM 275 C LEU A 19 13.348 -3.363 16.532 1.00 22.01 C ATOM 276 O LEU A 19 13.719 -3.942 15.511 1.00 3.25 O ATOM 277 CB LEU A 19 11.428 -4.492 17.671 1.00 43.30 C ATOM 278 CG LEU A 19 11.402 -4.335 19.192 1.00 74.32 C ATOM 279 CD1 LEU A 19 12.811 -4.156 19.735 1.00 72.32 C ATOM 280 CD2 LEU A 19 10.521 -3.161 19.592 1.00 53.22 C ATOM 0 H LEU A 19 10.950 -3.986 15.135 1.00 14.05 H new ATOM 0 HA LEU A 19 11.715 -2.370 17.488 1.00 50.31 H new ATOM 0 HB2 LEU A 19 10.430 -4.778 17.338 1.00 43.30 H new ATOM 0 HB3 LEU A 19 12.096 -5.317 17.422 1.00 43.30 H new ATOM 0 HG LEU A 19 10.981 -5.243 19.624 1.00 74.32 H new ATOM 0 HD11 LEU A 19 12.772 -4.046 20.819 1.00 72.32 H new ATOM 0 HD12 LEU A 19 13.413 -5.028 19.480 1.00 72.32 H new ATOM 0 HD13 LEU A 19 13.260 -3.265 19.296 1.00 72.32 H new ATOM 0 HD21 LEU A 19 10.514 -3.064 20.678 1.00 53.22 H new ATOM 0 HD22 LEU A 19 10.912 -2.245 19.149 1.00 53.22 H new ATOM 0 HD23 LEU A 19 9.505 -3.331 19.237 1.00 53.22 H new ATOM 292 N ALA A 20 14.191 -2.800 17.391 1.00 0.44 N ATOM 293 CA ALA A 20 15.633 -2.832 17.180 1.00 31.10 C ATOM 294 C ALA A 20 16.381 -2.884 18.508 1.00 43.14 C ATOM 295 O ALA A 20 16.478 -1.882 19.217 1.00 71.40 O ATOM 296 CB ALA A 20 16.075 -1.623 16.370 1.00 52.53 C ATOM 0 H ALA A 20 13.900 -2.316 18.240 1.00 0.44 H new ATOM 0 HA ALA A 20 15.874 -3.737 16.622 1.00 31.10 H new ATOM 0 HB1 ALA A 20 17.154 -1.660 16.220 1.00 52.53 H new ATOM 0 HB2 ALA A 20 15.574 -1.631 15.402 1.00 52.53 H new ATOM 0 HB3 ALA A 20 15.814 -0.711 16.906 1.00 52.53 H new ATOM 302 N VAL A 21 16.909 -4.058 18.839 1.00 64.14 N ATOM 303 CA VAL A 21 17.650 -4.240 20.081 1.00 32.33 C ATOM 304 C VAL A 21 19.057 -3.664 19.972 1.00 12.52 C ATOM 305 O VAL A 21 19.734 -3.840 18.960 1.00 2.21 O ATOM 306 CB VAL A 21 17.745 -5.729 20.465 1.00 64.15 C ATOM 307 CG1 VAL A 21 18.641 -5.911 21.681 1.00 71.25 C ATOM 308 CG2 VAL A 21 16.360 -6.303 20.722 1.00 41.44 C ATOM 0 H VAL A 21 16.837 -4.897 18.264 1.00 64.14 H new ATOM 0 HA VAL A 21 17.102 -3.706 20.857 1.00 32.33 H new ATOM 0 HB VAL A 21 18.189 -6.273 19.632 1.00 64.15 H new ATOM 0 HG11 VAL A 21 18.696 -6.969 21.937 1.00 71.25 H new ATOM 0 HG12 VAL A 21 19.641 -5.540 21.455 1.00 71.25 H new ATOM 0 HG13 VAL A 21 18.229 -5.355 22.523 1.00 71.25 H new ATOM 0 HG21 VAL A 21 16.447 -7.355 20.992 1.00 41.44 H new ATOM 0 HG22 VAL A 21 15.885 -5.757 21.537 1.00 41.44 H new ATOM 0 HG23 VAL A 21 15.754 -6.208 19.821 1.00 41.44 H new ATOM 318 N ALA A 22 19.491 -2.974 21.022 1.00 14.21 N ATOM 319 CA ALA A 22 20.818 -2.373 21.046 1.00 44.02 C ATOM 320 C ALA A 22 21.613 -2.844 22.260 1.00 55.35 C ATOM 321 O ALA A 22 21.142 -3.674 23.037 1.00 13.23 O ATOM 322 CB ALA A 22 20.711 -0.855 21.039 1.00 21.20 C ATOM 0 H ALA A 22 18.942 -2.818 21.867 1.00 14.21 H new ATOM 0 HA ALA A 22 21.350 -2.693 20.150 1.00 44.02 H new ATOM 0 HB1 ALA A 22 21.710 -0.420 21.057 1.00 21.20 H new ATOM 0 HB2 ALA A 22 20.190 -0.531 20.138 1.00 21.20 H new ATOM 0 HB3 ALA A 22 20.156 -0.525 21.917 1.00 21.20 H new ATOM 328 N ASP A 23 22.819 -2.309 22.415 1.00 73.20 N ATOM 329 CA ASP A 23 23.678 -2.675 23.535 1.00 43.41 C ATOM 330 C ASP A 23 23.431 -1.760 24.730 1.00 4.25 C ATOM 331 O ASP A 23 23.772 -2.098 25.864 1.00 33.12 O ATOM 332 CB ASP A 23 25.149 -2.607 23.120 1.00 11.41 C ATOM 333 CG ASP A 23 26.017 -3.572 23.903 1.00 75.30 C ATOM 334 OD1 ASP A 23 25.902 -4.794 23.672 1.00 53.25 O ATOM 335 OD2 ASP A 23 26.810 -3.107 24.748 1.00 51.41 O ATOM 0 H ASP A 23 23.224 -1.621 21.780 1.00 73.20 H new ATOM 0 HA ASP A 23 23.438 -3.697 23.827 1.00 43.41 H new ATOM 0 HB2 ASP A 23 25.234 -2.828 22.056 1.00 11.41 H new ATOM 0 HB3 ASP A 23 25.518 -1.592 23.265 1.00 11.41 H new ATOM 340 N ASP A 24 22.839 -0.600 24.469 1.00 73.11 N ATOM 341 CA ASP A 24 22.546 0.364 25.523 1.00 21.13 C ATOM 342 C ASP A 24 21.041 0.542 25.694 1.00 53.51 C ATOM 343 O ASP A 24 20.585 1.506 26.308 1.00 3.13 O ATOM 344 CB ASP A 24 23.199 1.710 25.208 1.00 4.52 C ATOM 345 CG ASP A 24 22.783 2.254 23.855 1.00 21.54 C ATOM 346 OD1 ASP A 24 21.723 2.910 23.780 1.00 44.41 O ATOM 347 OD2 ASP A 24 23.517 2.022 22.872 1.00 3.43 O ATOM 0 H ASP A 24 22.552 -0.304 23.536 1.00 73.11 H new ATOM 0 HA ASP A 24 22.956 -0.020 26.457 1.00 21.13 H new ATOM 0 HB2 ASP A 24 22.933 2.429 25.983 1.00 4.52 H new ATOM 0 HB3 ASP A 24 24.283 1.599 25.234 1.00 4.52 H new ATOM 352 N GLY A 25 20.273 -0.394 25.144 1.00 14.53 N ATOM 353 CA GLY A 25 18.827 -0.320 25.246 1.00 72.43 C ATOM 354 C GLY A 25 18.132 -0.831 23.999 1.00 14.01 C ATOM 355 O GLY A 25 18.757 -1.457 23.143 1.00 52.31 O ATOM 0 H GLY A 25 20.626 -1.201 24.630 1.00 14.53 H new ATOM 0 HA2 GLY A 25 18.496 -0.901 26.107 1.00 72.43 H new ATOM 0 HA3 GLY A 25 18.531 0.713 25.426 1.00 72.43 H new ATOM 359 N VAL A 26 16.833 -0.565 23.897 1.00 62.34 N ATOM 360 CA VAL A 26 16.052 -1.003 22.746 1.00 51.41 C ATOM 361 C VAL A 26 15.387 0.181 22.051 1.00 23.42 C ATOM 362 O VAL A 26 14.913 1.109 22.703 1.00 14.53 O ATOM 363 CB VAL A 26 14.969 -2.018 23.156 1.00 15.31 C ATOM 364 CG1 VAL A 26 13.950 -2.192 22.040 1.00 61.32 C ATOM 365 CG2 VAL A 26 15.601 -3.351 23.525 1.00 31.04 C ATOM 0 H VAL A 26 16.300 -0.049 24.597 1.00 62.34 H new ATOM 0 HA VAL A 26 16.746 -1.483 22.056 1.00 51.41 H new ATOM 0 HB VAL A 26 14.449 -1.634 24.033 1.00 15.31 H new ATOM 0 HG11 VAL A 26 13.193 -2.913 22.348 1.00 61.32 H new ATOM 0 HG12 VAL A 26 13.475 -1.234 21.829 1.00 61.32 H new ATOM 0 HG13 VAL A 26 14.452 -2.554 21.142 1.00 61.32 H new ATOM 0 HG21 VAL A 26 14.821 -4.056 23.812 1.00 31.04 H new ATOM 0 HG22 VAL A 26 16.148 -3.744 22.668 1.00 31.04 H new ATOM 0 HG23 VAL A 26 16.288 -3.210 24.360 1.00 31.04 H new ATOM 375 N ASN A 27 15.357 0.139 20.723 1.00 11.11 N ATOM 376 CA ASN A 27 14.750 1.209 19.939 1.00 61.53 C ATOM 377 C ASN A 27 13.579 0.682 19.115 1.00 31.31 C ATOM 378 O ASN A 27 13.739 -0.224 18.297 1.00 31.42 O ATOM 379 CB ASN A 27 15.791 1.846 19.016 1.00 10.23 C ATOM 380 CG ASN A 27 16.662 2.856 19.738 1.00 24.44 C ATOM 381 OD1 ASN A 27 17.693 2.504 20.312 1.00 3.24 O ATOM 382 ND2 ASN A 27 16.251 4.118 19.713 1.00 73.10 N ATOM 0 H ASN A 27 15.745 -0.623 20.168 1.00 11.11 H new ATOM 0 HA ASN A 27 14.375 1.964 20.630 1.00 61.53 H new ATOM 0 HB2 ASN A 27 16.421 1.065 18.590 1.00 10.23 H new ATOM 0 HB3 ASN A 27 15.284 2.336 18.184 1.00 10.23 H new ATOM 0 HD21 ASN A 27 16.796 4.841 20.182 1.00 73.10 H new ATOM 0 HD22 ASN A 27 15.390 4.364 19.225 1.00 73.10 H new ATOM 389 N VAL A 28 12.401 1.256 19.336 1.00 11.44 N ATOM 390 CA VAL A 28 11.203 0.847 18.614 1.00 34.30 C ATOM 391 C VAL A 28 10.592 2.018 17.854 1.00 53.43 C ATOM 392 O VAL A 28 10.286 3.058 18.437 1.00 13.32 O ATOM 393 CB VAL A 28 10.145 0.261 19.568 1.00 31.41 C ATOM 394 CG1 VAL A 28 9.687 1.311 20.568 1.00 53.42 C ATOM 395 CG2 VAL A 28 8.965 -0.289 18.781 1.00 33.34 C ATOM 0 H VAL A 28 12.251 2.007 20.010 1.00 11.44 H new ATOM 0 HA VAL A 28 11.509 0.078 17.905 1.00 34.30 H new ATOM 0 HB VAL A 28 10.597 -0.561 20.123 1.00 31.41 H new ATOM 0 HG11 VAL A 28 8.940 0.878 21.233 1.00 53.42 H new ATOM 0 HG12 VAL A 28 10.540 1.652 21.154 1.00 53.42 H new ATOM 0 HG13 VAL A 28 9.252 2.156 20.035 1.00 53.42 H new ATOM 0 HG21 VAL A 28 8.227 -0.699 19.471 1.00 33.34 H new ATOM 0 HG22 VAL A 28 8.511 0.512 18.198 1.00 33.34 H new ATOM 0 HG23 VAL A 28 9.310 -1.075 18.109 1.00 33.34 H new ATOM 405 N ARG A 29 10.416 1.842 16.548 1.00 3.51 N ATOM 406 CA ARG A 29 9.842 2.886 15.707 1.00 70.30 C ATOM 407 C ARG A 29 8.674 2.343 14.888 1.00 25.42 C ATOM 408 O ARG A 29 8.800 1.324 14.208 1.00 44.44 O ATOM 409 CB ARG A 29 10.908 3.463 14.774 1.00 22.21 C ATOM 410 CG ARG A 29 10.422 4.644 13.951 1.00 41.51 C ATOM 411 CD ARG A 29 9.785 4.190 12.647 1.00 51.41 C ATOM 412 NE ARG A 29 10.621 4.503 11.491 1.00 23.31 N ATOM 413 CZ ARG A 29 10.842 5.738 11.056 1.00 54.22 C ATOM 414 NH1 ARG A 29 10.291 6.772 11.677 1.00 33.32 N ATOM 415 NH2 ARG A 29 11.615 5.942 9.997 1.00 70.31 N ATOM 0 H ARG A 29 10.663 0.987 16.050 1.00 3.51 H new ATOM 0 HA ARG A 29 9.471 3.678 16.357 1.00 70.30 H new ATOM 0 HB2 ARG A 29 11.768 3.774 15.367 1.00 22.21 H new ATOM 0 HB3 ARG A 29 11.252 2.678 14.100 1.00 22.21 H new ATOM 0 HG2 ARG A 29 9.699 5.219 14.530 1.00 41.51 H new ATOM 0 HG3 ARG A 29 11.259 5.308 13.736 1.00 41.51 H new ATOM 0 HD2 ARG A 29 9.607 3.115 12.685 1.00 51.41 H new ATOM 0 HD3 ARG A 29 8.813 4.670 12.532 1.00 51.41 H new ATOM 0 HE ARG A 29 11.059 3.730 10.990 1.00 23.31 H new ATOM 0 HH11 ARG A 29 9.696 6.620 12.491 1.00 33.32 H new ATOM 0 HH12 ARG A 29 10.463 7.720 11.341 1.00 33.32 H new ATOM 0 HH21 ARG A 29 12.040 5.150 9.516 1.00 70.31 H new ATOM 0 HH22 ARG A 29 11.784 6.891 9.664 1.00 70.31 H new ATOM 429 N PHE A 30 7.539 3.029 14.960 1.00 73.34 N ATOM 430 CA PHE A 30 6.348 2.615 14.227 1.00 60.35 C ATOM 431 C PHE A 30 5.911 3.697 13.243 1.00 31.35 C ATOM 432 O PHE A 30 5.660 4.838 13.631 1.00 21.12 O ATOM 433 CB PHE A 30 5.208 2.302 15.198 1.00 21.21 C ATOM 434 CG PHE A 30 5.484 2.741 16.608 1.00 41.44 C ATOM 435 CD1 PHE A 30 6.254 1.959 17.453 1.00 2.00 C ATOM 436 CD2 PHE A 30 4.974 3.937 17.087 1.00 41.21 C ATOM 437 CE1 PHE A 30 6.509 2.361 18.751 1.00 71.14 C ATOM 438 CE2 PHE A 30 5.226 4.344 18.383 1.00 11.55 C ATOM 439 CZ PHE A 30 5.995 3.556 19.216 1.00 23.40 C ATOM 0 H PHE A 30 7.418 3.874 15.518 1.00 73.34 H new ATOM 0 HA PHE A 30 6.594 1.714 13.664 1.00 60.35 H new ATOM 0 HB2 PHE A 30 4.298 2.788 14.846 1.00 21.21 H new ATOM 0 HB3 PHE A 30 5.019 1.228 15.190 1.00 21.21 H new ATOM 0 HD1 PHE A 30 6.660 1.025 17.094 1.00 2.00 H new ATOM 0 HD2 PHE A 30 4.373 4.558 16.440 1.00 41.21 H new ATOM 0 HE1 PHE A 30 7.109 1.741 19.401 1.00 71.14 H new ATOM 0 HE2 PHE A 30 4.822 5.278 18.744 1.00 11.55 H new ATOM 0 HZ PHE A 30 6.194 3.873 20.229 1.00 23.40 H new ATOM 449 N ARG A 31 5.823 3.329 11.969 1.00 14.43 N ATOM 450 CA ARG A 31 5.418 4.268 10.930 1.00 50.12 C ATOM 451 C ARG A 31 3.899 4.306 10.793 1.00 13.21 C ATOM 452 O ARG A 31 3.273 3.308 10.436 1.00 73.13 O ATOM 453 CB ARG A 31 6.052 3.884 9.591 1.00 13.34 C ATOM 454 CG ARG A 31 7.529 3.543 9.693 1.00 63.32 C ATOM 455 CD ARG A 31 8.300 4.035 8.478 1.00 54.13 C ATOM 456 NE ARG A 31 8.310 3.050 7.400 1.00 73.22 N ATOM 457 CZ ARG A 31 9.097 1.980 7.390 1.00 74.42 C ATOM 458 NH1 ARG A 31 9.932 1.758 8.395 1.00 64.22 N ATOM 459 NH2 ARG A 31 9.048 1.128 6.373 1.00 0.40 N ATOM 0 H ARG A 31 6.027 2.388 11.632 1.00 14.43 H new ATOM 0 HA ARG A 31 5.764 5.261 11.217 1.00 50.12 H new ATOM 0 HB2 ARG A 31 5.518 3.028 9.178 1.00 13.34 H new ATOM 0 HB3 ARG A 31 5.926 4.708 8.889 1.00 13.34 H new ATOM 0 HG2 ARG A 31 7.945 3.991 10.595 1.00 63.32 H new ATOM 0 HG3 ARG A 31 7.649 2.464 9.789 1.00 63.32 H new ATOM 0 HD2 ARG A 31 7.855 4.962 8.117 1.00 54.13 H new ATOM 0 HD3 ARG A 31 9.325 4.265 8.768 1.00 54.13 H new ATOM 0 HE ARG A 31 7.678 3.191 6.612 1.00 73.22 H new ATOM 0 HH11 ARG A 31 9.971 2.410 9.179 1.00 64.22 H new ATOM 0 HH12 ARG A 31 10.535 0.936 8.385 1.00 64.22 H new ATOM 0 HH21 ARG A 31 8.406 1.295 5.598 1.00 0.40 H new ATOM 0 HH22 ARG A 31 9.653 0.307 6.366 1.00 0.40 H new ATOM 473 N ILE A 32 3.313 5.464 11.080 1.00 31.34 N ATOM 474 CA ILE A 32 1.868 5.631 10.989 1.00 52.41 C ATOM 475 C ILE A 32 1.475 6.310 9.681 1.00 11.43 C ATOM 476 O ILE A 32 2.195 7.171 9.176 1.00 10.12 O ATOM 477 CB ILE A 32 1.321 6.458 12.168 1.00 63.20 C ATOM 478 CG1 ILE A 32 1.590 5.739 13.491 1.00 24.44 C ATOM 479 CG2 ILE A 32 -0.168 6.713 11.991 1.00 71.33 C ATOM 480 CD1 ILE A 32 2.165 6.639 14.562 1.00 0.14 C ATOM 0 H ILE A 32 3.817 6.300 11.377 1.00 31.34 H new ATOM 0 HA ILE A 32 1.432 4.633 11.023 1.00 52.41 H new ATOM 0 HB ILE A 32 1.834 7.419 12.187 1.00 63.20 H new ATOM 0 HG12 ILE A 32 0.659 5.304 13.855 1.00 24.44 H new ATOM 0 HG13 ILE A 32 2.279 4.914 13.313 1.00 24.44 H new ATOM 0 HG21 ILE A 32 -0.539 7.298 12.832 1.00 71.33 H new ATOM 0 HG22 ILE A 32 -0.335 7.262 11.065 1.00 71.33 H new ATOM 0 HG23 ILE A 32 -0.698 5.761 11.949 1.00 71.33 H new ATOM 0 HD11 ILE A 32 2.330 6.062 15.472 1.00 0.14 H new ATOM 0 HD12 ILE A 32 3.113 7.054 14.218 1.00 0.14 H new ATOM 0 HD13 ILE A 32 1.467 7.451 14.769 1.00 0.14 H new ATOM 492 N ALA A 33 0.327 5.918 9.139 1.00 14.31 N ATOM 493 CA ALA A 33 -0.165 6.492 7.892 1.00 24.23 C ATOM 494 C ALA A 33 -0.467 7.978 8.053 1.00 31.31 C ATOM 495 O ALA A 33 -0.858 8.428 9.130 1.00 4.41 O ATOM 496 CB ALA A 33 -1.405 5.747 7.421 1.00 23.41 C ATOM 0 H ALA A 33 -0.280 5.205 9.544 1.00 14.31 H new ATOM 0 HA ALA A 33 0.616 6.387 7.139 1.00 24.23 H new ATOM 0 HB1 ALA A 33 -1.761 6.186 6.489 1.00 23.41 H new ATOM 0 HB2 ALA A 33 -1.159 4.698 7.257 1.00 23.41 H new ATOM 0 HB3 ALA A 33 -2.185 5.822 8.179 1.00 23.41 H new ATOM 502 N ASP A 34 -0.284 8.734 6.976 1.00 23.23 N ATOM 503 CA ASP A 34 -0.537 10.170 6.998 1.00 34.31 C ATOM 504 C ASP A 34 -1.991 10.459 7.359 1.00 51.20 C ATOM 505 O ASP A 34 -2.331 11.568 7.768 1.00 4.55 O ATOM 506 CB ASP A 34 -0.203 10.789 5.640 1.00 31.11 C ATOM 507 CG ASP A 34 0.978 11.737 5.711 1.00 30.21 C ATOM 508 OD1 ASP A 34 2.088 11.278 6.054 1.00 71.33 O ATOM 509 OD2 ASP A 34 0.793 12.937 5.423 1.00 14.52 O ATOM 0 H ASP A 34 0.039 8.376 6.077 1.00 23.23 H new ATOM 0 HA ASP A 34 0.104 10.616 7.759 1.00 34.31 H new ATOM 0 HB2 ASP A 34 0.015 9.995 4.926 1.00 31.11 H new ATOM 0 HB3 ASP A 34 -1.074 11.326 5.264 1.00 31.11 H new ATOM 514 N GLY A 35 -2.846 9.453 7.203 1.00 72.02 N ATOM 515 CA GLY A 35 -4.253 9.620 7.515 1.00 15.14 C ATOM 516 C GLY A 35 -4.588 9.189 8.930 1.00 54.44 C ATOM 517 O GLY A 35 -5.760 9.091 9.295 1.00 51.20 O ATOM 0 H GLY A 35 -2.589 8.525 6.866 1.00 72.02 H new ATOM 0 HA2 GLY A 35 -4.530 10.666 7.382 1.00 15.14 H new ATOM 0 HA3 GLY A 35 -4.850 9.040 6.811 1.00 15.14 H new ATOM 521 N TYR A 36 -3.558 8.930 9.727 1.00 51.21 N ATOM 522 CA TYR A 36 -3.749 8.503 11.108 1.00 41.30 C ATOM 523 C TYR A 36 -2.786 9.231 12.041 1.00 21.11 C ATOM 524 O TYR A 36 -1.781 9.790 11.602 1.00 64.35 O ATOM 525 CB TYR A 36 -3.549 6.992 11.229 1.00 74.43 C ATOM 526 CG TYR A 36 -4.687 6.182 10.649 1.00 52.45 C ATOM 527 CD1 TYR A 36 -5.971 6.279 11.170 1.00 55.44 C ATOM 528 CD2 TYR A 36 -4.478 5.321 9.578 1.00 1.32 C ATOM 529 CE1 TYR A 36 -7.014 5.541 10.643 1.00 3.30 C ATOM 530 CE2 TYR A 36 -5.515 4.580 9.044 1.00 5.42 C ATOM 531 CZ TYR A 36 -6.780 4.693 9.580 1.00 13.54 C ATOM 532 OH TYR A 36 -7.816 3.958 9.052 1.00 31.40 O ATOM 0 H TYR A 36 -2.582 9.008 9.441 1.00 51.21 H new ATOM 0 HA TYR A 36 -4.769 8.752 11.401 1.00 41.30 H new ATOM 0 HB2 TYR A 36 -2.623 6.715 10.725 1.00 74.43 H new ATOM 0 HB3 TYR A 36 -3.429 6.733 12.281 1.00 74.43 H new ATOM 0 HD1 TYR A 36 -6.158 6.943 12.001 1.00 55.44 H new ATOM 0 HD2 TYR A 36 -3.488 5.230 9.156 1.00 1.32 H new ATOM 0 HE1 TYR A 36 -8.006 5.628 11.061 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -5.335 3.916 8.211 1.00 5.42 H new ATOM 0 HH TYR A 36 -7.519 3.520 8.227 1.00 31.40 H new ATOM 542 N TYR A 37 -3.101 9.219 13.331 1.00 24.25 N ATOM 543 CA TYR A 37 -2.265 9.878 14.328 1.00 14.51 C ATOM 544 C TYR A 37 -2.455 9.246 15.703 1.00 34.33 C ATOM 545 O TYR A 37 -3.582 9.011 16.140 1.00 4.14 O ATOM 546 CB TYR A 37 -2.593 11.371 14.392 1.00 53.24 C ATOM 547 CG TYR A 37 -4.019 11.661 14.804 1.00 2.01 C ATOM 548 CD1 TYR A 37 -5.030 11.761 13.857 1.00 35.31 C ATOM 549 CD2 TYR A 37 -4.354 11.834 16.141 1.00 0.24 C ATOM 550 CE1 TYR A 37 -6.334 12.026 14.230 1.00 41.24 C ATOM 551 CE2 TYR A 37 -5.655 12.098 16.523 1.00 11.43 C ATOM 552 CZ TYR A 37 -6.641 12.194 15.564 1.00 73.03 C ATOM 553 OH TYR A 37 -7.939 12.457 15.939 1.00 42.10 O ATOM 0 H TYR A 37 -3.929 8.760 13.711 1.00 24.25 H new ATOM 0 HA TYR A 37 -1.224 9.753 14.031 1.00 14.51 H new ATOM 0 HB2 TYR A 37 -1.915 11.853 15.096 1.00 53.24 H new ATOM 0 HB3 TYR A 37 -2.408 11.817 13.415 1.00 53.24 H new ATOM 0 HD1 TYR A 37 -4.793 11.629 12.812 1.00 35.31 H new ATOM 0 HD2 TYR A 37 -3.584 11.761 16.895 1.00 0.24 H new ATOM 0 HE1 TYR A 37 -7.108 12.101 13.481 1.00 41.24 H new ATOM 0 HE2 TYR A 37 -5.898 12.228 17.567 1.00 11.43 H new ATOM 0 HH TYR A 37 -7.986 12.547 16.914 1.00 42.10 H new ATOM 563 N MET A 38 -1.345 8.973 16.380 1.00 21.32 N ATOM 564 CA MET A 38 -1.388 8.369 17.707 1.00 70.20 C ATOM 565 C MET A 38 -0.935 9.363 18.772 1.00 72.23 C ATOM 566 O MET A 38 0.008 10.126 18.561 1.00 13.11 O ATOM 567 CB MET A 38 -0.506 7.119 17.751 1.00 51.40 C ATOM 568 CG MET A 38 -1.293 5.819 17.721 1.00 3.04 C ATOM 569 SD MET A 38 -1.018 4.875 16.210 1.00 43.22 S ATOM 570 CE MET A 38 -1.978 3.402 16.551 1.00 53.42 C ATOM 0 H MET A 38 -0.405 9.160 16.032 1.00 21.32 H new ATOM 0 HA MET A 38 -2.419 8.085 17.916 1.00 70.20 H new ATOM 0 HB2 MET A 38 0.180 7.138 16.904 1.00 51.40 H new ATOM 0 HB3 MET A 38 0.102 7.145 18.655 1.00 51.40 H new ATOM 0 HG2 MET A 38 -1.014 5.210 18.581 1.00 3.04 H new ATOM 0 HG3 MET A 38 -2.356 6.040 17.818 1.00 3.04 H new ATOM 0 HE1 MET A 38 -1.491 2.538 16.100 1.00 53.42 H new ATOM 0 HE2 MET A 38 -2.050 3.256 17.629 1.00 53.42 H new ATOM 0 HE3 MET A 38 -2.978 3.515 16.132 1.00 53.42 H new ATOM 580 N TYR A 39 -1.613 9.348 19.914 1.00 3.42 N ATOM 581 CA TYR A 39 -1.281 10.251 21.011 1.00 73.44 C ATOM 582 C TYR A 39 -0.095 9.722 21.812 1.00 52.24 C ATOM 583 O TYR A 39 -0.056 8.549 22.181 1.00 60.11 O ATOM 584 CB TYR A 39 -2.490 10.435 21.930 1.00 41.42 C ATOM 585 CG TYR A 39 -3.793 10.626 21.186 1.00 4.12 C ATOM 586 CD1 TYR A 39 -4.210 11.891 20.790 1.00 71.22 C ATOM 587 CD2 TYR A 39 -4.606 9.542 20.881 1.00 54.20 C ATOM 588 CE1 TYR A 39 -5.400 12.070 20.111 1.00 42.11 C ATOM 589 CE2 TYR A 39 -5.797 9.712 20.201 1.00 21.11 C ATOM 590 CZ TYR A 39 -6.189 10.978 19.818 1.00 33.45 C ATOM 591 OH TYR A 39 -7.375 11.151 19.142 1.00 33.03 O ATOM 0 H TYR A 39 -2.395 8.722 20.105 1.00 3.42 H new ATOM 0 HA TYR A 39 -1.006 11.216 20.584 1.00 73.44 H new ATOM 0 HB2 TYR A 39 -2.577 9.565 22.581 1.00 41.42 H new ATOM 0 HB3 TYR A 39 -2.319 11.298 22.573 1.00 41.42 H new ATOM 0 HD1 TYR A 39 -3.594 12.748 21.017 1.00 71.22 H new ATOM 0 HD2 TYR A 39 -4.302 8.550 21.180 1.00 54.20 H new ATOM 0 HE1 TYR A 39 -5.710 13.060 19.811 1.00 42.11 H new ATOM 0 HE2 TYR A 39 -6.417 8.859 19.971 1.00 21.11 H new ATOM 0 HH TYR A 39 -7.809 10.282 19.015 1.00 33.03 H new ATOM 601 N GLN A 40 0.869 10.598 22.076 1.00 31.11 N ATOM 602 CA GLN A 40 2.057 10.220 22.833 1.00 15.22 C ATOM 603 C GLN A 40 1.674 9.522 24.134 1.00 13.30 C ATOM 604 O GLN A 40 2.336 8.577 24.560 1.00 32.35 O ATOM 605 CB GLN A 40 2.909 11.454 23.134 1.00 10.13 C ATOM 606 CG GLN A 40 4.358 11.128 23.457 1.00 3.32 C ATOM 607 CD GLN A 40 5.296 12.281 23.157 1.00 64.42 C ATOM 608 OE1 GLN A 40 6.089 12.689 24.006 1.00 30.32 O ATOM 609 NE2 GLN A 40 5.212 12.812 21.943 1.00 54.40 N ATOM 0 H GLN A 40 0.851 11.573 21.777 1.00 31.11 H new ATOM 0 HA GLN A 40 2.638 9.525 22.227 1.00 15.22 H new ATOM 0 HB2 GLN A 40 2.879 12.125 22.275 1.00 10.13 H new ATOM 0 HB3 GLN A 40 2.470 11.992 23.974 1.00 10.13 H new ATOM 0 HG2 GLN A 40 4.440 10.862 24.511 1.00 3.32 H new ATOM 0 HG3 GLN A 40 4.667 10.254 22.883 1.00 3.32 H new ATOM 0 HE21 GLN A 40 4.540 12.443 21.270 1.00 54.40 H new ATOM 0 HE22 GLN A 40 5.819 13.589 21.683 1.00 54.40 H new ATOM 618 N ALA A 41 0.601 9.995 24.760 1.00 2.42 N ATOM 619 CA ALA A 41 0.130 9.416 26.012 1.00 75.33 C ATOM 620 C ALA A 41 -0.494 8.043 25.780 1.00 1.44 C ATOM 621 O ALA A 41 -0.428 7.166 26.642 1.00 3.51 O ATOM 622 CB ALA A 41 -0.871 10.346 26.680 1.00 14.43 C ATOM 0 H ALA A 41 0.042 10.778 24.420 1.00 2.42 H new ATOM 0 HA ALA A 41 0.988 9.290 26.672 1.00 75.33 H new ATOM 0 HB1 ALA A 41 -1.214 9.901 27.614 1.00 14.43 H new ATOM 0 HB2 ALA A 41 -0.395 11.304 26.888 1.00 14.43 H new ATOM 0 HB3 ALA A 41 -1.722 10.501 26.017 1.00 14.43 H new ATOM 628 N LYS A 42 -1.100 7.864 24.612 1.00 74.40 N ATOM 629 CA LYS A 42 -1.736 6.598 24.266 1.00 20.31 C ATOM 630 C LYS A 42 -0.692 5.547 23.900 1.00 55.21 C ATOM 631 O LYS A 42 -0.849 4.367 24.216 1.00 4.44 O ATOM 632 CB LYS A 42 -2.709 6.793 23.101 1.00 43.50 C ATOM 633 CG LYS A 42 -4.126 7.121 23.540 1.00 65.41 C ATOM 634 CD LYS A 42 -4.738 5.984 24.341 1.00 24.31 C ATOM 635 CE LYS A 42 -4.792 6.314 25.825 1.00 71.42 C ATOM 636 NZ LYS A 42 -4.536 5.114 26.670 1.00 54.25 N ATOM 0 H LYS A 42 -1.164 8.580 23.888 1.00 74.40 H new ATOM 0 HA LYS A 42 -2.289 6.248 25.138 1.00 20.31 H new ATOM 0 HB2 LYS A 42 -2.341 7.595 22.462 1.00 43.50 H new ATOM 0 HB3 LYS A 42 -2.726 5.886 22.497 1.00 43.50 H new ATOM 0 HG2 LYS A 42 -4.120 8.030 24.142 1.00 65.41 H new ATOM 0 HG3 LYS A 42 -4.742 7.323 22.664 1.00 65.41 H new ATOM 0 HD2 LYS A 42 -5.745 5.781 23.976 1.00 24.31 H new ATOM 0 HD3 LYS A 42 -4.154 5.076 24.190 1.00 24.31 H new ATOM 0 HE2 LYS A 42 -4.054 7.083 26.053 1.00 71.42 H new ATOM 0 HE3 LYS A 42 -5.770 6.728 26.070 1.00 71.42 H new ATOM 0 HZ1 LYS A 42 -4.581 5.380 27.674 1.00 54.25 H new ATOM 0 HZ2 LYS A 42 -5.255 4.390 26.471 1.00 54.25 H new ATOM 0 HZ3 LYS A 42 -3.592 4.733 26.455 1.00 54.25 H new ATOM 650 N ILE A 43 0.371 5.983 23.233 1.00 11.33 N ATOM 651 CA ILE A 43 1.441 5.080 22.827 1.00 14.33 C ATOM 652 C ILE A 43 2.206 4.556 24.037 1.00 23.13 C ATOM 653 O ILE A 43 2.631 5.326 24.898 1.00 0.35 O ATOM 654 CB ILE A 43 2.428 5.772 21.869 1.00 3.34 C ATOM 655 CG1 ILE A 43 1.701 6.252 20.612 1.00 42.44 C ATOM 656 CG2 ILE A 43 3.562 4.826 21.504 1.00 43.34 C ATOM 657 CD1 ILE A 43 2.180 7.598 20.113 1.00 24.21 C ATOM 0 H ILE A 43 0.514 6.956 22.962 1.00 11.33 H new ATOM 0 HA ILE A 43 0.970 4.245 22.309 1.00 14.33 H new ATOM 0 HB ILE A 43 2.853 6.640 22.373 1.00 3.34 H new ATOM 0 HG12 ILE A 43 1.832 5.513 19.822 1.00 42.44 H new ATOM 0 HG13 ILE A 43 0.633 6.310 20.820 1.00 42.44 H new ATOM 0 HG21 ILE A 43 4.252 5.329 20.826 1.00 43.34 H new ATOM 0 HG22 ILE A 43 4.094 4.529 22.408 1.00 43.34 H new ATOM 0 HG23 ILE A 43 3.154 3.941 21.016 1.00 43.34 H new ATOM 0 HD11 ILE A 43 1.621 7.875 19.219 1.00 24.21 H new ATOM 0 HD12 ILE A 43 2.023 8.350 20.887 1.00 24.21 H new ATOM 0 HD13 ILE A 43 3.242 7.540 19.873 1.00 24.21 H new ATOM 669 N VAL A 44 2.381 3.239 24.095 1.00 12.42 N ATOM 670 CA VAL A 44 3.098 2.611 25.198 1.00 4.10 C ATOM 671 C VAL A 44 4.198 1.689 24.684 1.00 42.13 C ATOM 672 O VAL A 44 4.022 0.993 23.685 1.00 23.40 O ATOM 673 CB VAL A 44 2.146 1.803 26.099 1.00 10.14 C ATOM 674 CG1 VAL A 44 2.838 1.417 27.397 1.00 24.25 C ATOM 675 CG2 VAL A 44 0.877 2.594 26.377 1.00 11.45 C ATOM 0 H VAL A 44 2.036 2.587 23.391 1.00 12.42 H new ATOM 0 HA VAL A 44 3.545 3.415 25.783 1.00 4.10 H new ATOM 0 HB VAL A 44 1.869 0.887 25.577 1.00 10.14 H new ATOM 0 HG11 VAL A 44 2.150 0.847 28.021 1.00 24.25 H new ATOM 0 HG12 VAL A 44 3.715 0.809 27.175 1.00 24.25 H new ATOM 0 HG13 VAL A 44 3.146 2.318 27.927 1.00 24.25 H new ATOM 0 HG21 VAL A 44 0.215 2.008 27.015 1.00 11.45 H new ATOM 0 HG22 VAL A 44 1.133 3.527 26.879 1.00 11.45 H new ATOM 0 HG23 VAL A 44 0.372 2.814 25.436 1.00 11.45 H new ATOM 685 N GLY A 45 5.335 1.690 25.374 1.00 35.42 N ATOM 686 CA GLY A 45 6.447 0.849 24.972 1.00 21.14 C ATOM 687 C GLY A 45 7.430 0.609 26.101 1.00 11.23 C ATOM 688 O GLY A 45 8.139 1.523 26.522 1.00 43.30 O ATOM 0 H GLY A 45 5.505 2.258 26.204 1.00 35.42 H new ATOM 0 HA2 GLY A 45 6.065 -0.108 24.617 1.00 21.14 H new ATOM 0 HA3 GLY A 45 6.967 1.315 24.135 1.00 21.14 H new ATOM 692 N LYS A 46 7.472 -0.624 26.595 1.00 11.42 N ATOM 693 CA LYS A 46 8.374 -0.982 27.683 1.00 64.22 C ATOM 694 C LYS A 46 8.972 -2.368 27.460 1.00 75.03 C ATOM 695 O LYS A 46 8.268 -3.306 27.083 1.00 12.11 O ATOM 696 CB LYS A 46 7.634 -0.944 29.021 1.00 13.13 C ATOM 697 CG LYS A 46 8.506 -1.308 30.210 1.00 22.40 C ATOM 698 CD LYS A 46 7.972 -2.529 30.940 1.00 63.40 C ATOM 699 CE LYS A 46 7.948 -3.753 30.036 1.00 3.34 C ATOM 700 NZ LYS A 46 7.562 -4.984 30.780 1.00 54.23 N ATOM 0 H LYS A 46 6.891 -1.392 26.259 1.00 11.42 H new ATOM 0 HA LYS A 46 9.185 -0.254 27.703 1.00 64.22 H new ATOM 0 HB2 LYS A 46 7.226 0.055 29.173 1.00 13.13 H new ATOM 0 HB3 LYS A 46 6.788 -1.630 28.978 1.00 13.13 H new ATOM 0 HG2 LYS A 46 9.523 -1.502 29.870 1.00 22.40 H new ATOM 0 HG3 LYS A 46 8.555 -0.464 30.898 1.00 22.40 H new ATOM 0 HD2 LYS A 46 8.592 -2.732 31.813 1.00 63.40 H new ATOM 0 HD3 LYS A 46 6.965 -2.325 31.305 1.00 63.40 H new ATOM 0 HE2 LYS A 46 7.246 -3.587 29.219 1.00 3.34 H new ATOM 0 HE3 LYS A 46 8.932 -3.893 29.588 1.00 3.34 H new ATOM 0 HZ1 LYS A 46 8.144 -5.783 30.455 1.00 54.23 H new ATOM 0 HZ2 LYS A 46 7.714 -4.836 31.798 1.00 54.23 H new ATOM 0 HZ3 LYS A 46 6.558 -5.194 30.607 1.00 54.23 H new ATOM 714 N THR A 47 10.274 -2.491 27.696 1.00 61.41 N ATOM 715 CA THR A 47 10.965 -3.762 27.521 1.00 25.42 C ATOM 716 C THR A 47 11.955 -4.010 28.654 1.00 60.21 C ATOM 717 O THR A 47 12.796 -3.163 28.952 1.00 31.34 O ATOM 718 CB THR A 47 11.717 -3.813 26.178 1.00 43.13 C ATOM 719 OG1 THR A 47 12.367 -5.080 26.027 1.00 3.14 O ATOM 720 CG2 THR A 47 12.746 -2.696 26.091 1.00 4.12 C ATOM 0 H THR A 47 10.871 -1.726 28.009 1.00 61.41 H new ATOM 0 HA THR A 47 10.202 -4.540 27.531 1.00 25.42 H new ATOM 0 HB THR A 47 10.991 -3.680 25.376 1.00 43.13 H new ATOM 0 HG1 THR A 47 13.190 -5.091 26.558 1.00 3.14 H new ATOM 0 HG21 THR A 47 13.264 -2.753 25.134 1.00 4.12 H new ATOM 0 HG22 THR A 47 12.245 -1.732 26.176 1.00 4.12 H new ATOM 0 HG23 THR A 47 13.468 -2.802 26.901 1.00 4.12 H new ATOM 728 N ASN A 48 11.849 -5.177 29.281 1.00 22.22 N ATOM 729 CA ASN A 48 12.736 -5.536 30.382 1.00 71.51 C ATOM 730 C ASN A 48 12.403 -6.926 30.918 1.00 52.43 C ATOM 731 O ASN A 48 11.302 -7.443 30.730 1.00 54.03 O ATOM 732 CB ASN A 48 12.630 -4.505 31.507 1.00 42.11 C ATOM 733 CG ASN A 48 11.225 -3.953 31.655 1.00 24.35 C ATOM 734 OD1 ASN A 48 10.880 -2.935 31.056 1.00 73.21 O ATOM 735 ND2 ASN A 48 10.408 -4.625 32.458 1.00 60.10 N ATOM 0 H ASN A 48 11.158 -5.890 29.046 1.00 22.22 H new ATOM 0 HA ASN A 48 13.758 -5.547 30.003 1.00 71.51 H new ATOM 0 HB2 ASN A 48 12.938 -4.964 32.447 1.00 42.11 H new ATOM 0 HB3 ASN A 48 13.321 -3.685 31.311 1.00 42.11 H new ATOM 0 HD21 ASN A 48 9.451 -4.302 32.598 1.00 60.10 H new ATOM 0 HD22 ASN A 48 10.738 -5.465 32.934 1.00 60.10 H new ATOM 742 N PRO A 49 13.376 -7.545 31.602 1.00 0.21 N ATOM 743 CA PRO A 49 13.210 -8.882 32.180 1.00 12.43 C ATOM 744 C PRO A 49 12.243 -8.887 33.359 1.00 33.22 C ATOM 745 O PRO A 49 11.598 -9.897 33.641 1.00 41.05 O ATOM 746 CB PRO A 49 14.622 -9.245 32.645 1.00 1.05 C ATOM 747 CG PRO A 49 15.293 -7.935 32.878 1.00 21.30 C ATOM 748 CD PRO A 49 14.713 -6.987 31.865 1.00 65.53 C ATOM 0 HA PRO A 49 12.788 -9.587 31.463 1.00 12.43 H new ATOM 0 HB2 PRO A 49 14.597 -9.844 33.555 1.00 1.05 H new ATOM 0 HB3 PRO A 49 15.148 -9.831 31.892 1.00 1.05 H new ATOM 0 HG2 PRO A 49 15.114 -7.580 33.893 1.00 21.30 H new ATOM 0 HG3 PRO A 49 16.373 -8.023 32.757 1.00 21.30 H new ATOM 0 HD2 PRO A 49 14.655 -5.970 32.253 1.00 65.53 H new ATOM 0 HD3 PRO A 49 15.318 -6.948 30.959 1.00 65.53 H new ATOM 756 N ALA A 50 12.146 -7.753 34.045 1.00 44.21 N ATOM 757 CA ALA A 50 11.256 -7.627 35.192 1.00 53.21 C ATOM 758 C ALA A 50 10.931 -6.164 35.476 1.00 35.44 C ATOM 759 O ALA A 50 9.768 -5.800 35.652 1.00 32.15 O ATOM 760 CB ALA A 50 11.878 -8.279 36.417 1.00 20.25 C ATOM 0 H ALA A 50 12.673 -6.908 33.826 1.00 44.21 H new ATOM 0 HA ALA A 50 10.324 -8.140 34.956 1.00 53.21 H new ATOM 0 HB1 ALA A 50 11.202 -8.177 37.266 1.00 20.25 H new ATOM 0 HB2 ALA A 50 12.053 -9.336 36.217 1.00 20.25 H new ATOM 0 HB3 ALA A 50 12.825 -7.792 36.647 1.00 20.25 H new ATOM 766 N ASP A 51 11.964 -5.331 35.521 1.00 62.34 N ATOM 767 CA ASP A 51 11.788 -3.908 35.784 1.00 42.33 C ATOM 768 C ASP A 51 13.135 -3.192 35.826 1.00 32.31 C ATOM 769 O ASP A 51 13.344 -2.287 36.635 1.00 53.13 O ATOM 770 CB ASP A 51 11.044 -3.699 37.104 1.00 61.44 C ATOM 771 CG ASP A 51 9.923 -2.686 36.983 1.00 43.33 C ATOM 772 OD1 ASP A 51 9.008 -2.908 36.163 1.00 65.43 O ATOM 773 OD2 ASP A 51 9.962 -1.669 37.708 1.00 75.15 O ATOM 0 H ASP A 51 12.933 -5.617 35.379 1.00 62.34 H new ATOM 0 HA ASP A 51 11.197 -3.485 34.972 1.00 42.33 H new ATOM 0 HB2 ASP A 51 10.634 -4.651 37.441 1.00 61.44 H new ATOM 0 HB3 ASP A 51 11.749 -3.367 37.866 1.00 61.44 H new ATOM 778 N LEU A 52 14.046 -3.605 34.952 1.00 52.23 N ATOM 779 CA LEU A 52 15.374 -3.004 34.889 1.00 32.14 C ATOM 780 C LEU A 52 15.370 -1.765 34.000 1.00 72.11 C ATOM 781 O LEU A 52 15.996 -0.755 34.322 1.00 44.53 O ATOM 782 CB LEU A 52 16.390 -4.020 34.365 1.00 43.55 C ATOM 783 CG LEU A 52 16.544 -5.301 35.185 1.00 42.31 C ATOM 784 CD1 LEU A 52 17.721 -6.120 34.679 1.00 21.31 C ATOM 785 CD2 LEU A 52 16.716 -4.972 36.661 1.00 42.53 C ATOM 0 H LEU A 52 13.890 -4.354 34.277 1.00 52.23 H new ATOM 0 HA LEU A 52 15.658 -2.703 35.897 1.00 32.14 H new ATOM 0 HB2 LEU A 52 16.107 -4.295 33.349 1.00 43.55 H new ATOM 0 HB3 LEU A 52 17.363 -3.532 34.304 1.00 43.55 H new ATOM 0 HG LEU A 52 15.638 -5.895 35.069 1.00 42.31 H new ATOM 0 HD11 LEU A 52 17.815 -7.028 35.275 1.00 21.31 H new ATOM 0 HD12 LEU A 52 17.557 -6.386 33.635 1.00 21.31 H new ATOM 0 HD13 LEU A 52 18.636 -5.534 34.764 1.00 21.31 H new ATOM 0 HD21 LEU A 52 16.824 -5.896 37.229 1.00 42.53 H new ATOM 0 HD22 LEU A 52 17.606 -4.357 36.795 1.00 42.53 H new ATOM 0 HD23 LEU A 52 15.841 -4.427 37.017 1.00 42.53 H new ATOM 797 N LEU A 53 14.659 -1.849 32.881 1.00 15.21 N ATOM 798 CA LEU A 53 14.570 -0.733 31.945 1.00 25.22 C ATOM 799 C LEU A 53 14.008 0.509 32.629 1.00 20.44 C ATOM 800 O LEU A 53 12.922 0.474 33.206 1.00 31.22 O ATOM 801 CB LEU A 53 13.694 -1.112 30.750 1.00 31.33 C ATOM 802 CG LEU A 53 13.298 0.033 29.818 1.00 13.32 C ATOM 803 CD1 LEU A 53 12.073 0.758 30.354 1.00 53.00 C ATOM 804 CD2 LEU A 53 14.458 1.002 29.641 1.00 53.20 C ATOM 0 H LEU A 53 14.136 -2.678 32.599 1.00 15.21 H new ATOM 0 HA LEU A 53 15.576 -0.506 31.592 1.00 25.22 H new ATOM 0 HB2 LEU A 53 14.220 -1.865 30.164 1.00 31.33 H new ATOM 0 HB3 LEU A 53 12.784 -1.579 31.126 1.00 31.33 H new ATOM 0 HG LEU A 53 13.049 -0.387 28.843 1.00 13.32 H new ATOM 0 HD11 LEU A 53 11.806 1.570 29.678 1.00 53.00 H new ATOM 0 HD12 LEU A 53 11.240 0.059 30.429 1.00 53.00 H new ATOM 0 HD13 LEU A 53 12.294 1.166 31.340 1.00 53.00 H new ATOM 0 HD21 LEU A 53 14.158 1.811 28.974 1.00 53.20 H new ATOM 0 HD22 LEU A 53 14.738 1.415 30.610 1.00 53.20 H new ATOM 0 HD23 LEU A 53 15.310 0.475 29.212 1.00 53.20 H new ATOM 816 N GLY A 54 14.755 1.607 32.559 1.00 72.50 N ATOM 817 CA GLY A 54 14.313 2.845 33.174 1.00 63.40 C ATOM 818 C GLY A 54 12.954 3.289 32.672 1.00 72.22 C ATOM 819 O GLY A 54 11.925 2.787 33.123 1.00 72.20 O ATOM 0 H GLY A 54 15.658 1.661 32.088 1.00 72.50 H new ATOM 0 HA2 GLY A 54 14.273 2.716 34.256 1.00 63.40 H new ATOM 0 HA3 GLY A 54 15.044 3.628 32.974 1.00 63.40 H new ATOM 823 N GLN A 55 12.950 4.234 31.737 1.00 33.31 N ATOM 824 CA GLN A 55 11.706 4.747 31.176 1.00 74.33 C ATOM 825 C GLN A 55 11.834 4.957 29.671 1.00 75.04 C ATOM 826 O GLN A 55 12.927 5.137 29.135 1.00 4.41 O ATOM 827 CB GLN A 55 11.319 6.061 31.855 1.00 13.42 C ATOM 828 CG GLN A 55 12.478 7.033 32.005 1.00 40.24 C ATOM 829 CD GLN A 55 12.018 8.465 32.197 1.00 23.11 C ATOM 830 OE1 GLN A 55 11.260 8.767 33.119 1.00 3.03 O ATOM 831 NE2 GLN A 55 12.476 9.356 31.326 1.00 52.25 N ATOM 0 H GLN A 55 13.794 4.659 31.353 1.00 33.31 H new ATOM 0 HA GLN A 55 10.924 4.009 31.357 1.00 74.33 H new ATOM 0 HB2 GLN A 55 10.527 6.539 31.278 1.00 13.42 H new ATOM 0 HB3 GLN A 55 10.908 5.844 32.841 1.00 13.42 H new ATOM 0 HG2 GLN A 55 13.089 6.735 32.857 1.00 40.24 H new ATOM 0 HG3 GLN A 55 13.113 6.975 31.121 1.00 40.24 H new ATOM 0 HE21 GLN A 55 13.103 9.062 30.577 1.00 52.25 H new ATOM 0 HE22 GLN A 55 12.201 10.335 31.406 1.00 52.25 H new ATOM 840 N PRO A 56 10.690 4.933 28.970 1.00 50.20 N ATOM 841 CA PRO A 56 10.648 5.120 27.517 1.00 60.24 C ATOM 842 C PRO A 56 10.985 6.549 27.106 1.00 54.14 C ATOM 843 O PRO A 56 10.636 7.503 27.801 1.00 41.32 O ATOM 844 CB PRO A 56 9.197 4.788 27.158 1.00 24.21 C ATOM 845 CG PRO A 56 8.427 5.060 28.404 1.00 5.10 C ATOM 846 CD PRO A 56 9.350 4.723 29.543 1.00 52.02 C ATOM 0 HA PRO A 56 11.381 4.497 27.005 1.00 60.24 H new ATOM 0 HB2 PRO A 56 8.843 5.404 26.331 1.00 24.21 H new ATOM 0 HB3 PRO A 56 9.094 3.748 26.848 1.00 24.21 H new ATOM 0 HG2 PRO A 56 8.115 6.103 28.450 1.00 5.10 H new ATOM 0 HG3 PRO A 56 7.521 4.455 28.443 1.00 5.10 H new ATOM 0 HD2 PRO A 56 9.176 5.367 30.405 1.00 52.02 H new ATOM 0 HD3 PRO A 56 9.214 3.695 29.880 1.00 52.02 H new ATOM 854 N SER A 57 11.664 6.690 25.972 1.00 73.33 N ATOM 855 CA SER A 57 12.050 8.003 25.470 1.00 43.20 C ATOM 856 C SER A 57 11.400 8.282 24.118 1.00 34.54 C ATOM 857 O SER A 57 11.940 7.926 23.071 1.00 4.10 O ATOM 858 CB SER A 57 13.572 8.097 25.345 1.00 2.11 C ATOM 859 OG SER A 57 13.945 8.968 24.291 1.00 15.11 O ATOM 0 H SER A 57 11.958 5.911 25.384 1.00 73.33 H new ATOM 0 HA SER A 57 11.703 8.752 26.182 1.00 43.20 H new ATOM 0 HB2 SER A 57 13.996 8.455 26.283 1.00 2.11 H new ATOM 0 HB3 SER A 57 13.987 7.105 25.165 1.00 2.11 H new ATOM 0 HG SER A 57 13.617 8.611 23.440 1.00 15.11 H new ATOM 865 N PHE A 58 10.234 8.920 24.150 1.00 25.11 N ATOM 866 CA PHE A 58 9.508 9.246 22.928 1.00 31.15 C ATOM 867 C PHE A 58 10.302 10.225 22.068 1.00 32.32 C ATOM 868 O PHE A 58 11.009 11.090 22.585 1.00 71.31 O ATOM 869 CB PHE A 58 8.139 9.841 23.267 1.00 25.21 C ATOM 870 CG PHE A 58 7.420 9.105 24.361 1.00 71.21 C ATOM 871 CD1 PHE A 58 7.451 7.721 24.420 1.00 65.23 C ATOM 872 CD2 PHE A 58 6.712 9.797 25.331 1.00 63.25 C ATOM 873 CE1 PHE A 58 6.789 7.041 25.425 1.00 45.24 C ATOM 874 CE2 PHE A 58 6.049 9.122 26.338 1.00 14.52 C ATOM 875 CZ PHE A 58 6.088 7.743 26.386 1.00 62.22 C ATOM 0 H PHE A 58 9.772 9.221 25.008 1.00 25.11 H new ATOM 0 HA PHE A 58 9.367 8.325 22.362 1.00 31.15 H new ATOM 0 HB2 PHE A 58 8.268 10.882 23.564 1.00 25.21 H new ATOM 0 HB3 PHE A 58 7.519 9.839 22.371 1.00 25.21 H new ATOM 0 HD1 PHE A 58 7.999 7.167 23.672 1.00 65.23 H new ATOM 0 HD2 PHE A 58 6.678 10.876 25.299 1.00 63.25 H new ATOM 0 HE1 PHE A 58 6.820 5.962 25.459 1.00 45.24 H new ATOM 0 HE2 PHE A 58 5.500 9.673 27.087 1.00 14.52 H new ATOM 0 HZ PHE A 58 5.571 7.214 27.173 1.00 62.22 H new ATOM 885 N SER A 59 10.180 10.081 20.753 1.00 75.35 N ATOM 886 CA SER A 59 10.888 10.949 19.819 1.00 24.44 C ATOM 887 C SER A 59 10.308 12.359 19.842 1.00 3.50 C ATOM 888 O SER A 59 10.861 13.281 19.241 1.00 24.12 O ATOM 889 CB SER A 59 10.815 10.377 18.402 1.00 13.31 C ATOM 890 OG SER A 59 12.102 10.305 17.814 1.00 51.33 O ATOM 0 H SER A 59 9.597 9.371 20.309 1.00 75.35 H new ATOM 0 HA SER A 59 11.932 11.000 20.128 1.00 24.44 H new ATOM 0 HB2 SER A 59 10.369 9.383 18.430 1.00 13.31 H new ATOM 0 HB3 SER A 59 10.166 11.001 17.788 1.00 13.31 H new ATOM 0 HG SER A 59 12.014 10.247 16.840 1.00 51.33 H new ATOM 896 N LYS A 60 9.189 12.521 20.540 1.00 43.01 N ATOM 897 CA LYS A 60 8.532 13.819 20.644 1.00 64.42 C ATOM 898 C LYS A 60 8.001 14.269 19.287 1.00 13.40 C ATOM 899 O LYS A 60 8.770 14.525 18.362 1.00 41.51 O ATOM 900 CB LYS A 60 9.505 14.863 21.195 1.00 45.32 C ATOM 901 CG LYS A 60 9.094 15.426 22.544 1.00 12.12 C ATOM 902 CD LYS A 60 7.915 16.376 22.416 1.00 51.21 C ATOM 903 CE LYS A 60 6.914 16.177 23.543 1.00 14.44 C ATOM 904 NZ LYS A 60 7.550 16.322 24.882 1.00 14.01 N ATOM 0 H LYS A 60 8.718 11.769 21.043 1.00 43.01 H new ATOM 0 HA LYS A 60 7.690 13.719 21.329 1.00 64.42 H new ATOM 0 HB2 LYS A 60 10.494 14.414 21.284 1.00 45.32 H new ATOM 0 HB3 LYS A 60 9.590 15.681 20.480 1.00 45.32 H new ATOM 0 HG2 LYS A 60 8.832 14.609 23.216 1.00 12.12 H new ATOM 0 HG3 LYS A 60 9.938 15.950 22.993 1.00 12.12 H new ATOM 0 HD2 LYS A 60 8.273 17.405 22.424 1.00 51.21 H new ATOM 0 HD3 LYS A 60 7.421 16.218 21.457 1.00 51.21 H new ATOM 0 HE2 LYS A 60 6.107 16.903 23.444 1.00 14.44 H new ATOM 0 HE3 LYS A 60 6.465 15.187 23.459 1.00 14.44 H new ATOM 0 HZ1 LYS A 60 6.812 16.400 25.610 1.00 14.01 H new ATOM 0 HZ2 LYS A 60 8.143 15.490 25.077 1.00 14.01 H new ATOM 0 HZ3 LYS A 60 8.140 17.178 24.895 1.00 14.01 H new ATOM 918 N GLY A 61 6.679 14.366 19.176 1.00 21.34 N ATOM 919 CA GLY A 61 6.068 14.787 17.930 1.00 52.15 C ATOM 920 C GLY A 61 5.623 16.236 17.963 1.00 73.35 C ATOM 921 O GLY A 61 6.427 17.133 18.213 1.00 31.43 O ATOM 0 H GLY A 61 6.021 14.160 19.928 1.00 21.34 H new ATOM 0 HA2 GLY A 61 6.778 14.647 17.115 1.00 52.15 H new ATOM 0 HA3 GLY A 61 5.209 14.151 17.717 1.00 52.15 H new ATOM 925 N GLU A 62 4.338 16.465 17.707 1.00 24.30 N ATOM 926 CA GLU A 62 3.789 17.816 17.706 1.00 24.43 C ATOM 927 C GLU A 62 2.625 17.930 18.686 1.00 52.12 C ATOM 928 O GLU A 62 1.852 16.988 18.859 1.00 2.33 O ATOM 929 CB GLU A 62 3.327 18.201 16.300 1.00 52.23 C ATOM 930 CG GLU A 62 4.429 18.794 15.438 1.00 71.33 C ATOM 931 CD GLU A 62 4.547 18.109 14.090 1.00 52.33 C ATOM 932 OE1 GLU A 62 3.608 18.236 13.276 1.00 15.44 O ATOM 933 OE2 GLU A 62 5.577 17.447 13.848 1.00 22.32 O ATOM 0 H GLU A 62 3.659 15.733 17.498 1.00 24.30 H new ATOM 0 HA GLU A 62 4.576 18.501 18.022 1.00 24.43 H new ATOM 0 HB2 GLU A 62 2.925 17.317 15.804 1.00 52.23 H new ATOM 0 HB3 GLU A 62 2.512 18.921 16.379 1.00 52.23 H new ATOM 0 HG2 GLU A 62 4.235 19.856 15.286 1.00 71.33 H new ATOM 0 HG3 GLU A 62 5.380 18.716 15.966 1.00 71.33 H new ATOM 940 N GLU A 63 2.507 19.091 19.323 1.00 23.33 N ATOM 941 CA GLU A 63 1.438 19.328 20.286 1.00 23.44 C ATOM 942 C GLU A 63 0.145 19.719 19.578 1.00 54.10 C ATOM 943 O GLU A 63 0.150 20.535 18.656 1.00 2.11 O ATOM 944 CB GLU A 63 1.844 20.424 21.273 1.00 44.50 C ATOM 945 CG GLU A 63 1.472 20.116 22.713 1.00 23.34 C ATOM 946 CD GLU A 63 1.056 21.352 23.486 1.00 5.24 C ATOM 947 OE1 GLU A 63 0.294 22.171 22.930 1.00 25.50 O ATOM 948 OE2 GLU A 63 1.493 21.502 24.647 1.00 72.23 O ATOM 0 H GLU A 63 3.138 19.881 19.190 1.00 23.33 H new ATOM 0 HA GLU A 63 1.266 18.402 20.834 1.00 23.44 H new ATOM 0 HB2 GLU A 63 2.921 20.577 21.210 1.00 44.50 H new ATOM 0 HB3 GLU A 63 1.371 21.361 20.977 1.00 44.50 H new ATOM 0 HG2 GLU A 63 0.657 19.392 22.727 1.00 23.34 H new ATOM 0 HG3 GLU A 63 2.321 19.649 23.212 1.00 23.34 H new ATOM 955 N LYS A 64 -0.964 19.131 20.015 1.00 24.40 N ATOM 956 CA LYS A 64 -2.266 19.416 19.425 1.00 1.50 C ATOM 957 C LYS A 64 -3.361 19.394 20.487 1.00 60.14 C ATOM 958 O LYS A 64 -3.282 18.640 21.456 1.00 73.33 O ATOM 959 CB LYS A 64 -2.585 18.400 18.326 1.00 12.22 C ATOM 960 CG LYS A 64 -3.823 18.747 17.518 1.00 53.22 C ATOM 961 CD LYS A 64 -5.012 17.891 17.922 1.00 25.24 C ATOM 962 CE LYS A 64 -4.907 16.486 17.350 1.00 64.34 C ATOM 963 NZ LYS A 64 -6.044 16.170 16.442 1.00 52.42 N ATOM 0 H LYS A 64 -0.986 18.453 20.777 1.00 24.40 H new ATOM 0 HA LYS A 64 -2.228 20.414 18.988 1.00 1.50 H new ATOM 0 HB2 LYS A 64 -1.731 18.325 17.653 1.00 12.22 H new ATOM 0 HB3 LYS A 64 -2.720 17.418 18.779 1.00 12.22 H new ATOM 0 HG2 LYS A 64 -4.067 19.800 17.659 1.00 53.22 H new ATOM 0 HG3 LYS A 64 -3.617 18.607 16.457 1.00 53.22 H new ATOM 0 HD2 LYS A 64 -5.071 17.839 19.009 1.00 25.24 H new ATOM 0 HD3 LYS A 64 -5.933 18.359 17.574 1.00 25.24 H new ATOM 0 HE2 LYS A 64 -3.968 16.385 16.805 1.00 64.34 H new ATOM 0 HE3 LYS A 64 -4.882 15.763 18.165 1.00 64.34 H new ATOM 0 HZ1 LYS A 64 -6.143 15.138 16.356 1.00 52.42 H new ATOM 0 HZ2 LYS A 64 -6.921 16.571 16.831 1.00 52.42 H new ATOM 0 HZ3 LYS A 64 -5.863 16.580 15.503 1.00 52.42 H new ATOM 977 N GLU A 65 -4.381 20.224 20.296 1.00 54.33 N ATOM 978 CA GLU A 65 -5.492 20.298 21.238 1.00 71.13 C ATOM 979 C GLU A 65 -6.785 19.806 20.594 1.00 71.14 C ATOM 980 O GLU A 65 -7.113 20.182 19.468 1.00 2.22 O ATOM 981 CB GLU A 65 -5.672 21.733 21.737 1.00 31.12 C ATOM 982 CG GLU A 65 -4.367 22.417 22.106 1.00 4.22 C ATOM 983 CD GLU A 65 -3.937 23.448 21.080 1.00 74.52 C ATOM 984 OE1 GLU A 65 -4.816 24.165 20.557 1.00 11.13 O ATOM 985 OE2 GLU A 65 -2.724 23.536 20.799 1.00 51.41 O ATOM 0 H GLU A 65 -4.461 20.854 19.498 1.00 54.33 H new ATOM 0 HA GLU A 65 -5.260 19.653 22.085 1.00 71.13 H new ATOM 0 HB2 GLU A 65 -6.173 22.317 20.965 1.00 31.12 H new ATOM 0 HB3 GLU A 65 -6.328 21.726 22.608 1.00 31.12 H new ATOM 0 HG2 GLU A 65 -4.476 22.900 23.077 1.00 4.22 H new ATOM 0 HG3 GLU A 65 -3.584 21.666 22.210 1.00 4.22 H new ATOM 992 N ASP A 66 -7.515 18.963 21.315 1.00 22.44 N ATOM 993 CA ASP A 66 -8.772 18.419 20.816 1.00 73.32 C ATOM 994 C ASP A 66 -9.667 17.973 21.968 1.00 72.31 C ATOM 995 O ASP A 66 -9.402 18.285 23.128 1.00 33.13 O ATOM 996 CB ASP A 66 -8.506 17.242 19.876 1.00 40.14 C ATOM 997 CG ASP A 66 -9.389 17.274 18.644 1.00 74.20 C ATOM 998 OD1 ASP A 66 -10.628 17.302 18.803 1.00 25.01 O ATOM 999 OD2 ASP A 66 -8.843 17.270 17.521 1.00 62.51 O ATOM 0 H ASP A 66 -7.258 18.641 22.248 1.00 22.44 H new ATOM 0 HA ASP A 66 -9.286 19.206 20.264 1.00 73.32 H new ATOM 0 HB2 ASP A 66 -7.460 17.254 19.570 1.00 40.14 H new ATOM 0 HB3 ASP A 66 -8.670 16.308 20.413 1.00 40.14 H new ATOM 1004 N GLU A 67 -10.728 17.242 21.638 1.00 2.03 N ATOM 1005 CA GLU A 67 -11.662 16.755 22.646 1.00 15.41 C ATOM 1006 C GLU A 67 -11.536 15.245 22.821 1.00 21.32 C ATOM 1007 O GLU A 67 -12.111 14.665 23.743 1.00 72.05 O ATOM 1008 CB GLU A 67 -13.098 17.116 22.259 1.00 51.40 C ATOM 1009 CG GLU A 67 -13.494 16.635 20.873 1.00 33.24 C ATOM 1010 CD GLU A 67 -14.897 17.061 20.487 1.00 73.13 C ATOM 1011 OE1 GLU A 67 -15.860 16.572 21.113 1.00 33.02 O ATOM 1012 OE2 GLU A 67 -15.032 17.884 19.557 1.00 5.11 O ATOM 0 H GLU A 67 -10.961 16.975 20.682 1.00 2.03 H new ATOM 0 HA GLU A 67 -11.416 17.235 23.593 1.00 15.41 H new ATOM 0 HB2 GLU A 67 -13.782 16.688 22.992 1.00 51.40 H new ATOM 0 HB3 GLU A 67 -13.217 18.198 22.307 1.00 51.40 H new ATOM 0 HG2 GLU A 67 -12.786 17.024 20.141 1.00 33.24 H new ATOM 0 HG3 GLU A 67 -13.425 15.548 20.836 1.00 33.24 H new ATOM 1019 N PHE A 68 -10.779 14.613 21.930 1.00 53.11 N ATOM 1020 CA PHE A 68 -10.578 13.170 21.984 1.00 63.20 C ATOM 1021 C PHE A 68 -9.477 12.811 22.978 1.00 1.30 C ATOM 1022 O PHE A 68 -9.166 11.637 23.180 1.00 10.34 O ATOM 1023 CB PHE A 68 -10.223 12.631 20.597 1.00 70.34 C ATOM 1024 CG PHE A 68 -11.403 12.531 19.673 1.00 60.43 C ATOM 1025 CD1 PHE A 68 -12.136 13.658 19.339 1.00 33.14 C ATOM 1026 CD2 PHE A 68 -11.779 11.309 19.138 1.00 72.10 C ATOM 1027 CE1 PHE A 68 -13.223 13.569 18.489 1.00 5.32 C ATOM 1028 CE2 PHE A 68 -12.864 11.214 18.287 1.00 11.30 C ATOM 1029 CZ PHE A 68 -13.587 12.346 17.963 1.00 34.42 C ATOM 0 H PHE A 68 -10.295 15.078 21.162 1.00 53.11 H new ATOM 0 HA PHE A 68 -11.509 12.711 22.318 1.00 63.20 H new ATOM 0 HB2 PHE A 68 -9.472 13.279 20.145 1.00 70.34 H new ATOM 0 HB3 PHE A 68 -9.771 11.645 20.704 1.00 70.34 H new ATOM 0 HD1 PHE A 68 -11.855 14.618 19.747 1.00 33.14 H new ATOM 0 HD2 PHE A 68 -11.218 10.421 19.389 1.00 72.10 H new ATOM 0 HE1 PHE A 68 -13.786 14.455 18.237 1.00 5.32 H new ATOM 0 HE2 PHE A 68 -13.146 10.256 17.876 1.00 11.30 H new ATOM 0 HZ PHE A 68 -14.436 12.274 17.299 1.00 34.42 H new ATOM 1039 N PHE A 69 -8.890 13.831 23.595 1.00 13.44 N ATOM 1040 CA PHE A 69 -7.823 13.625 24.567 1.00 1.24 C ATOM 1041 C PHE A 69 -7.427 14.943 25.228 1.00 64.45 C ATOM 1042 O PHE A 69 -7.068 14.977 26.404 1.00 60.02 O ATOM 1043 CB PHE A 69 -6.604 12.993 23.892 1.00 51.32 C ATOM 1044 CG PHE A 69 -5.871 13.933 22.978 1.00 2.20 C ATOM 1045 CD1 PHE A 69 -6.503 14.481 21.873 1.00 20.53 C ATOM 1046 CD2 PHE A 69 -4.549 14.269 23.224 1.00 71.34 C ATOM 1047 CE1 PHE A 69 -5.831 15.346 21.031 1.00 52.04 C ATOM 1048 CE2 PHE A 69 -3.872 15.134 22.385 1.00 74.13 C ATOM 1049 CZ PHE A 69 -4.514 15.672 21.286 1.00 2.22 C ATOM 0 H PHE A 69 -9.135 14.809 23.439 1.00 13.44 H new ATOM 0 HA PHE A 69 -8.193 12.949 25.338 1.00 1.24 H new ATOM 0 HB2 PHE A 69 -5.918 12.636 24.660 1.00 51.32 H new ATOM 0 HB3 PHE A 69 -6.925 12.121 23.322 1.00 51.32 H new ATOM 0 HD1 PHE A 69 -7.533 14.229 21.668 1.00 20.53 H new ATOM 0 HD2 PHE A 69 -4.042 13.850 24.081 1.00 71.34 H new ATOM 0 HE1 PHE A 69 -6.336 15.767 20.174 1.00 52.04 H new ATOM 0 HE2 PHE A 69 -2.842 15.389 22.588 1.00 74.13 H new ATOM 0 HZ PHE A 69 -3.986 16.346 20.628 1.00 2.22 H new ATOM 1059 N GLY A 70 -7.494 16.026 24.460 1.00 42.31 N ATOM 1060 CA GLY A 70 -7.139 17.331 24.986 1.00 3.31 C ATOM 1061 C GLY A 70 -5.901 17.905 24.326 1.00 41.42 C ATOM 1062 O GLY A 70 -5.698 17.741 23.123 1.00 70.12 O ATOM 0 H GLY A 70 -7.788 16.023 23.483 1.00 42.31 H new ATOM 0 HA2 GLY A 70 -7.974 18.017 24.843 1.00 3.31 H new ATOM 0 HA3 GLY A 70 -6.971 17.253 26.060 1.00 3.31 H new ATOM 1066 N ARG A 71 -5.072 18.583 25.114 1.00 60.53 N ATOM 1067 CA ARG A 71 -3.849 19.186 24.598 1.00 71.45 C ATOM 1068 C ARG A 71 -2.633 18.333 24.947 1.00 61.20 C ATOM 1069 O ARG A 71 -2.143 18.368 26.075 1.00 23.32 O ATOM 1070 CB ARG A 71 -3.674 20.597 25.161 1.00 53.24 C ATOM 1071 CG ARG A 71 -4.422 20.830 26.463 1.00 4.14 C ATOM 1072 CD ARG A 71 -3.810 20.035 27.606 1.00 3.54 C ATOM 1073 NE ARG A 71 -4.320 20.464 28.906 1.00 50.21 N ATOM 1074 CZ ARG A 71 -5.483 20.064 29.407 1.00 32.01 C ATOM 1075 NH1 ARG A 71 -6.252 19.229 28.721 1.00 13.55 N ATOM 1076 NH2 ARG A 71 -5.879 20.498 30.597 1.00 51.22 N ATOM 0 H ARG A 71 -5.225 18.728 26.112 1.00 60.53 H new ATOM 0 HA ARG A 71 -3.932 19.243 23.513 1.00 71.45 H new ATOM 0 HB2 ARG A 71 -2.613 20.785 25.323 1.00 53.24 H new ATOM 0 HB3 ARG A 71 -4.017 21.320 24.420 1.00 53.24 H new ATOM 0 HG2 ARG A 71 -4.407 21.892 26.708 1.00 4.14 H new ATOM 0 HG3 ARG A 71 -5.467 20.546 26.339 1.00 4.14 H new ATOM 0 HD2 ARG A 71 -4.023 18.975 27.465 1.00 3.54 H new ATOM 0 HD3 ARG A 71 -2.726 20.148 27.587 1.00 3.54 H new ATOM 0 HE ARG A 71 -3.752 21.106 29.459 1.00 50.21 H new ATOM 0 HH11 ARG A 71 -5.951 18.893 27.806 1.00 13.55 H new ATOM 0 HH12 ARG A 71 -7.145 18.923 29.108 1.00 13.55 H new ATOM 0 HH21 ARG A 71 -5.290 21.140 31.128 1.00 51.22 H new ATOM 0 HH22 ARG A 71 -6.772 20.190 30.981 1.00 51.22 H new ATOM 1090 N GLN A 72 -2.153 17.568 23.972 1.00 43.34 N ATOM 1091 CA GLN A 72 -0.995 16.706 24.177 1.00 30.02 C ATOM 1092 C GLN A 72 -0.227 16.506 22.875 1.00 71.02 C ATOM 1093 O GLN A 72 -0.689 16.897 21.802 1.00 0.02 O ATOM 1094 CB GLN A 72 -1.434 15.352 24.737 1.00 32.02 C ATOM 1095 CG GLN A 72 -0.451 14.758 25.733 1.00 33.30 C ATOM 1096 CD GLN A 72 -1.050 14.593 27.116 1.00 23.21 C ATOM 1097 OE1 GLN A 72 -0.758 13.467 27.757 1.00 32.45 O flip ATOM 1098 NE2 GLN A 72 -1.766 15.468 27.603 1.00 33.11 N flip ATOM 0 H GLN A 72 -2.548 17.528 23.032 1.00 43.34 H new ATOM 0 HA GLN A 72 -0.335 17.192 24.895 1.00 30.02 H new ATOM 0 HB2 GLN A 72 -2.404 15.465 25.220 1.00 32.02 H new ATOM 0 HB3 GLN A 72 -1.569 14.653 23.911 1.00 32.02 H new ATOM 0 HG2 GLN A 72 -0.113 13.788 25.369 1.00 33.30 H new ATOM 0 HG3 GLN A 72 0.428 15.399 25.796 1.00 33.30 H new ATOM 0 HE21 GLN A 72 -1.964 16.318 27.074 1.00 33.11 H new ATOM 0 HE22 GLN A 72 -2.161 15.343 28.535 1.00 33.11 H new ATOM 1107 N THR A 73 0.949 15.894 22.975 1.00 42.51 N ATOM 1108 CA THR A 73 1.782 15.644 21.806 1.00 63.14 C ATOM 1109 C THR A 73 1.365 14.359 21.099 1.00 44.45 C ATOM 1110 O THR A 73 1.030 13.365 21.742 1.00 2.14 O ATOM 1111 CB THR A 73 3.271 15.546 22.187 1.00 4.33 C ATOM 1112 OG1 THR A 73 3.529 16.328 23.359 1.00 42.21 O ATOM 1113 CG2 THR A 73 4.155 16.027 21.046 1.00 22.22 C ATOM 0 H THR A 73 1.346 15.562 23.854 1.00 42.51 H new ATOM 0 HA THR A 73 1.642 16.489 21.132 1.00 63.14 H new ATOM 0 HB THR A 73 3.503 14.500 22.389 1.00 4.33 H new ATOM 0 HG1 THR A 73 4.150 15.846 23.944 1.00 42.21 H new ATOM 0 HG21 THR A 73 5.202 15.948 21.339 1.00 22.22 H new ATOM 0 HG22 THR A 73 3.978 15.412 20.164 1.00 22.22 H new ATOM 0 HG23 THR A 73 3.920 17.066 20.817 1.00 22.22 H new ATOM 1121 N VAL A 74 1.389 14.386 19.770 1.00 50.43 N ATOM 1122 CA VAL A 74 1.015 13.223 18.975 1.00 70.23 C ATOM 1123 C VAL A 74 1.928 13.069 17.763 1.00 35.42 C ATOM 1124 O VAL A 74 2.758 13.934 17.484 1.00 31.23 O ATOM 1125 CB VAL A 74 -0.446 13.317 18.495 1.00 64.12 C ATOM 1126 CG1 VAL A 74 -1.377 13.587 19.667 1.00 64.00 C ATOM 1127 CG2 VAL A 74 -0.588 14.395 17.431 1.00 60.21 C ATOM 0 H VAL A 74 1.664 15.201 19.222 1.00 50.43 H new ATOM 0 HA VAL A 74 1.122 12.351 19.620 1.00 70.23 H new ATOM 0 HB VAL A 74 -0.727 12.362 18.052 1.00 64.12 H new ATOM 0 HG11 VAL A 74 -2.404 13.650 19.308 1.00 64.00 H new ATOM 0 HG12 VAL A 74 -1.295 12.777 20.391 1.00 64.00 H new ATOM 0 HG13 VAL A 74 -1.100 14.528 20.142 1.00 64.00 H new ATOM 0 HG21 VAL A 74 -1.626 14.448 17.103 1.00 60.21 H new ATOM 0 HG22 VAL A 74 -0.289 15.358 17.846 1.00 60.21 H new ATOM 0 HG23 VAL A 74 0.049 14.153 16.580 1.00 60.21 H new ATOM 1137 N TYR A 75 1.768 11.962 17.046 1.00 35.13 N ATOM 1138 CA TYR A 75 2.579 11.693 15.865 1.00 74.41 C ATOM 1139 C TYR A 75 1.704 11.561 14.622 1.00 53.31 C ATOM 1140 O TYR A 75 0.635 10.951 14.662 1.00 13.42 O ATOM 1141 CB TYR A 75 3.398 10.416 16.063 1.00 54.11 C ATOM 1142 CG TYR A 75 4.388 10.503 17.202 1.00 62.21 C ATOM 1143 CD1 TYR A 75 5.438 11.412 17.167 1.00 2.44 C ATOM 1144 CD2 TYR A 75 4.275 9.675 18.312 1.00 61.22 C ATOM 1145 CE1 TYR A 75 6.346 11.495 18.205 1.00 22.24 C ATOM 1146 CE2 TYR A 75 5.178 9.751 19.355 1.00 55.31 C ATOM 1147 CZ TYR A 75 6.211 10.663 19.297 1.00 63.40 C ATOM 1148 OH TYR A 75 7.113 10.741 20.333 1.00 21.24 O ATOM 0 H TYR A 75 1.084 11.237 17.262 1.00 35.13 H new ATOM 0 HA TYR A 75 3.258 12.534 15.722 1.00 74.41 H new ATOM 0 HB2 TYR A 75 2.719 9.583 16.246 1.00 54.11 H new ATOM 0 HB3 TYR A 75 3.936 10.192 15.142 1.00 54.11 H new ATOM 0 HD1 TYR A 75 5.546 12.065 16.314 1.00 2.44 H new ATOM 0 HD2 TYR A 75 3.467 8.960 18.360 1.00 61.22 H new ATOM 0 HE1 TYR A 75 7.157 12.207 18.162 1.00 22.24 H new ATOM 0 HE2 TYR A 75 5.076 9.100 20.211 1.00 55.31 H new ATOM 0 HH TYR A 75 7.661 9.929 20.351 1.00 21.24 H new ATOM 1158 N HIS A 76 2.166 12.138 13.517 1.00 23.01 N ATOM 1159 CA HIS A 76 1.428 12.085 12.260 1.00 13.14 C ATOM 1160 C HIS A 76 1.965 10.976 11.361 1.00 73.11 C ATOM 1161 O HIS A 76 1.404 10.696 10.301 1.00 34.21 O ATOM 1162 CB HIS A 76 1.513 13.430 11.538 1.00 74.23 C ATOM 1163 CG HIS A 76 2.877 13.736 11.000 1.00 33.13 C ATOM 1164 ND1 HIS A 76 4.087 13.216 11.310 1.00 0.41 N flip ATOM 1165 CD2 HIS A 76 3.106 14.682 10.024 1.00 64.33 C flip ATOM 1166 CE1 HIS A 76 5.016 13.850 10.522 1.00 65.10 C flip ATOM 1167 NE2 HIS A 76 4.398 14.730 9.755 1.00 24.20 N flip ATOM 0 H HIS A 76 3.048 12.648 13.467 1.00 23.01 H new ATOM 0 HA HIS A 76 0.384 11.869 12.488 1.00 13.14 H new ATOM 0 HB2 HIS A 76 0.797 13.438 10.716 1.00 74.23 H new ATOM 0 HB3 HIS A 76 1.217 14.222 12.226 1.00 74.23 H new ATOM 0 HD2 HIS A 76 2.347 15.289 9.553 1.00 64.33 H new ATOM 0 HE1 HIS A 76 6.079 13.660 10.528 1.00 65.10 H new ATOM 0 HE2 HIS A 76 4.843 15.342 9.071 1.00 24.20 H new ATOM 1175 N HIS A 77 3.055 10.348 11.790 1.00 10.21 N ATOM 1176 CA HIS A 77 3.668 9.269 11.023 1.00 11.51 C ATOM 1177 C HIS A 77 4.848 8.667 11.780 1.00 53.00 C ATOM 1178 O HIS A 77 4.845 7.482 12.110 1.00 73.43 O ATOM 1179 CB HIS A 77 4.131 9.784 9.660 1.00 73.24 C ATOM 1180 CG HIS A 77 4.963 8.798 8.899 1.00 44.41 C ATOM 1181 ND1 HIS A 77 4.475 8.056 7.844 1.00 21.15 N ATOM 1182 CD2 HIS A 77 6.260 8.436 9.044 1.00 55.33 C ATOM 1183 CE1 HIS A 77 5.434 7.279 7.375 1.00 63.52 C ATOM 1184 NE2 HIS A 77 6.528 7.491 8.085 1.00 73.51 N ATOM 0 H HIS A 77 3.532 10.568 12.664 1.00 10.21 H new ATOM 0 HA HIS A 77 2.919 8.491 10.874 1.00 11.51 H new ATOM 0 HB2 HIS A 77 3.257 10.046 9.064 1.00 73.24 H new ATOM 0 HB3 HIS A 77 4.706 10.699 9.803 1.00 73.24 H new ATOM 0 HD1 HIS A 77 3.522 8.100 7.483 1.00 21.15 H new ATOM 0 HD2 HIS A 77 6.954 8.819 9.777 1.00 55.33 H new ATOM 0 HE1 HIS A 77 5.340 6.587 6.551 1.00 63.52 H new ATOM 1192 N GLU A 78 5.854 9.492 12.051 1.00 64.12 N ATOM 1193 CA GLU A 78 7.041 9.039 12.767 1.00 32.22 C ATOM 1194 C GLU A 78 6.775 8.963 14.268 1.00 54.41 C ATOM 1195 O GLU A 78 6.349 9.940 14.883 1.00 13.32 O ATOM 1196 CB GLU A 78 8.218 9.977 12.494 1.00 64.35 C ATOM 1197 CG GLU A 78 7.902 11.441 12.747 1.00 11.04 C ATOM 1198 CD GLU A 78 8.860 12.083 13.732 1.00 33.44 C ATOM 1199 OE1 GLU A 78 10.059 11.736 13.704 1.00 44.22 O ATOM 1200 OE2 GLU A 78 8.410 12.930 14.532 1.00 44.24 O ATOM 0 H GLU A 78 5.871 10.477 11.786 1.00 64.12 H new ATOM 0 HA GLU A 78 7.291 8.041 12.408 1.00 32.22 H new ATOM 0 HB2 GLU A 78 9.059 9.682 13.121 1.00 64.35 H new ATOM 0 HB3 GLU A 78 8.535 9.856 11.458 1.00 64.35 H new ATOM 0 HG2 GLU A 78 7.939 11.985 11.803 1.00 11.04 H new ATOM 0 HG3 GLU A 78 6.884 11.529 13.126 1.00 11.04 H new ATOM 1207 N ALA A 79 7.028 7.796 14.850 1.00 63.10 N ATOM 1208 CA ALA A 79 6.818 7.592 16.278 1.00 52.51 C ATOM 1209 C ALA A 79 7.736 6.502 16.818 1.00 23.23 C ATOM 1210 O ALA A 79 7.409 5.317 16.758 1.00 22.01 O ATOM 1211 CB ALA A 79 5.362 7.244 16.552 1.00 25.53 C ATOM 0 H ALA A 79 7.379 6.977 14.354 1.00 63.10 H new ATOM 0 HA ALA A 79 7.061 8.522 16.793 1.00 52.51 H new ATOM 0 HB1 ALA A 79 5.219 7.094 17.622 1.00 25.53 H new ATOM 0 HB2 ALA A 79 4.723 8.058 16.211 1.00 25.53 H new ATOM 0 HB3 ALA A 79 5.100 6.330 16.019 1.00 25.53 H new ATOM 1217 N GLN A 80 8.886 6.910 17.345 1.00 2.31 N ATOM 1218 CA GLN A 80 9.852 5.966 17.895 1.00 42.35 C ATOM 1219 C GLN A 80 10.110 6.249 19.371 1.00 45.12 C ATOM 1220 O GLN A 80 10.009 7.390 19.822 1.00 32.11 O ATOM 1221 CB GLN A 80 11.165 6.035 17.113 1.00 61.43 C ATOM 1222 CG GLN A 80 12.092 7.147 17.575 1.00 14.43 C ATOM 1223 CD GLN A 80 13.370 7.218 16.763 1.00 54.40 C ATOM 1224 OE1 GLN A 80 13.349 7.561 15.580 1.00 11.04 O ATOM 1225 NE2 GLN A 80 14.492 6.894 17.395 1.00 53.33 N ATOM 0 H GLN A 80 9.171 7.888 17.403 1.00 2.31 H new ATOM 0 HA GLN A 80 9.435 4.963 17.804 1.00 42.35 H new ATOM 0 HB2 GLN A 80 11.683 5.080 17.205 1.00 61.43 H new ATOM 0 HB3 GLN A 80 10.941 6.176 16.056 1.00 61.43 H new ATOM 0 HG2 GLN A 80 11.570 8.101 17.507 1.00 14.43 H new ATOM 0 HG3 GLN A 80 12.341 6.994 18.625 1.00 14.43 H new ATOM 0 HE21 GLN A 80 14.463 6.616 18.376 1.00 53.33 H new ATOM 0 HE22 GLN A 80 15.383 6.924 16.900 1.00 53.33 H new ATOM 1234 N VAL A 81 10.445 5.202 20.119 1.00 12.51 N ATOM 1235 CA VAL A 81 10.718 5.338 21.545 1.00 43.22 C ATOM 1236 C VAL A 81 11.978 4.575 21.938 1.00 61.12 C ATOM 1237 O VAL A 81 12.164 3.422 21.550 1.00 70.04 O ATOM 1238 CB VAL A 81 9.538 4.830 22.394 1.00 53.24 C ATOM 1239 CG1 VAL A 81 9.716 5.230 23.850 1.00 1.13 C ATOM 1240 CG2 VAL A 81 8.221 5.359 21.845 1.00 61.45 C ATOM 0 H VAL A 81 10.534 4.251 19.761 1.00 12.51 H new ATOM 0 HA VAL A 81 10.864 6.401 21.739 1.00 43.22 H new ATOM 0 HB VAL A 81 9.517 3.741 22.341 1.00 53.24 H new ATOM 0 HG11 VAL A 81 8.872 4.862 24.434 1.00 1.13 H new ATOM 0 HG12 VAL A 81 10.640 4.799 24.235 1.00 1.13 H new ATOM 0 HG13 VAL A 81 9.764 6.316 23.926 1.00 1.13 H new ATOM 0 HG21 VAL A 81 7.398 4.990 22.457 1.00 61.45 H new ATOM 0 HG22 VAL A 81 8.229 6.449 21.866 1.00 61.45 H new ATOM 0 HG23 VAL A 81 8.091 5.017 20.818 1.00 61.45 H new ATOM 1250 N ALA A 82 12.841 5.226 22.711 1.00 12.00 N ATOM 1251 CA ALA A 82 14.082 4.608 23.159 1.00 24.22 C ATOM 1252 C ALA A 82 13.921 3.994 24.546 1.00 50.51 C ATOM 1253 O ALA A 82 13.322 4.598 25.437 1.00 71.44 O ATOM 1254 CB ALA A 82 15.210 5.629 23.160 1.00 43.13 C ATOM 0 H ALA A 82 12.703 6.182 23.040 1.00 12.00 H new ATOM 0 HA ALA A 82 14.332 3.807 22.463 1.00 24.22 H new ATOM 0 HB1 ALA A 82 16.131 5.153 23.497 1.00 43.13 H new ATOM 0 HB2 ALA A 82 15.350 6.017 22.151 1.00 43.13 H new ATOM 0 HB3 ALA A 82 14.958 6.449 23.833 1.00 43.13 H new ATOM 1260 N PHE A 83 14.458 2.792 24.722 1.00 24.12 N ATOM 1261 CA PHE A 83 14.372 2.096 26.001 1.00 43.02 C ATOM 1262 C PHE A 83 15.758 1.910 26.613 1.00 74.52 C ATOM 1263 O PHE A 83 16.366 0.843 26.521 1.00 43.31 O ATOM 1264 CB PHE A 83 13.695 0.736 25.821 1.00 54.13 C ATOM 1265 CG PHE A 83 12.363 0.817 25.131 1.00 60.44 C ATOM 1266 CD1 PHE A 83 11.524 1.899 25.339 1.00 1.30 C ATOM 1267 CD2 PHE A 83 11.950 -0.191 24.274 1.00 40.13 C ATOM 1268 CE1 PHE A 83 10.298 1.977 24.705 1.00 22.32 C ATOM 1269 CE2 PHE A 83 10.726 -0.119 23.637 1.00 54.22 C ATOM 1270 CZ PHE A 83 9.898 0.966 23.854 1.00 61.33 C ATOM 0 H PHE A 83 14.957 2.279 23.995 1.00 24.12 H new ATOM 0 HA PHE A 83 13.774 2.705 26.678 1.00 43.02 H new ATOM 0 HB2 PHE A 83 14.354 0.084 25.247 1.00 54.13 H new ATOM 0 HB3 PHE A 83 13.561 0.273 26.799 1.00 54.13 H new ATOM 0 HD1 PHE A 83 11.831 2.692 26.005 1.00 1.30 H new ATOM 0 HD2 PHE A 83 12.592 -1.042 24.102 1.00 40.13 H new ATOM 0 HE1 PHE A 83 9.654 2.827 24.875 1.00 22.32 H new ATOM 0 HE2 PHE A 83 10.417 -0.910 22.970 1.00 54.22 H new ATOM 0 HZ PHE A 83 8.940 1.023 23.359 1.00 61.33 H new ATOM 1280 N PRO A 84 16.269 2.972 27.253 1.00 60.43 N ATOM 1281 CA PRO A 84 17.588 2.951 27.893 1.00 73.24 C ATOM 1282 C PRO A 84 17.616 2.066 29.134 1.00 13.12 C ATOM 1283 O PRO A 84 16.894 2.313 30.101 1.00 40.23 O ATOM 1284 CB PRO A 84 17.820 4.415 28.274 1.00 61.00 C ATOM 1285 CG PRO A 84 16.454 4.993 28.409 1.00 75.32 C ATOM 1286 CD PRO A 84 15.599 4.274 27.401 1.00 0.53 C ATOM 0 HA PRO A 84 18.354 2.541 27.235 1.00 73.24 H new ATOM 0 HB2 PRO A 84 18.379 4.498 29.206 1.00 61.00 H new ATOM 0 HB3 PRO A 84 18.397 4.936 27.510 1.00 61.00 H new ATOM 0 HG2 PRO A 84 16.069 4.852 29.419 1.00 75.32 H new ATOM 0 HG3 PRO A 84 16.464 6.066 28.218 1.00 75.32 H new ATOM 0 HD2 PRO A 84 14.573 4.161 27.752 1.00 0.53 H new ATOM 0 HD3 PRO A 84 15.554 4.813 26.455 1.00 0.53 H new ATOM 1294 N TYR A 85 18.453 1.035 29.102 1.00 51.44 N ATOM 1295 CA TYR A 85 18.573 0.113 30.224 1.00 21.41 C ATOM 1296 C TYR A 85 19.146 0.817 31.450 1.00 42.42 C ATOM 1297 O TYR A 85 19.790 1.860 31.336 1.00 64.43 O ATOM 1298 CB TYR A 85 19.460 -1.074 29.843 1.00 20.02 C ATOM 1299 CG TYR A 85 18.903 -1.908 28.711 1.00 1.53 C ATOM 1300 CD1 TYR A 85 17.532 -2.050 28.537 1.00 51.22 C ATOM 1301 CD2 TYR A 85 19.748 -2.554 27.817 1.00 55.40 C ATOM 1302 CE1 TYR A 85 17.018 -2.811 27.505 1.00 43.24 C ATOM 1303 CE2 TYR A 85 19.243 -3.315 26.781 1.00 31.40 C ATOM 1304 CZ TYR A 85 17.878 -3.441 26.629 1.00 33.21 C ATOM 1305 OH TYR A 85 17.371 -4.200 25.599 1.00 21.33 O ATOM 0 H TYR A 85 19.058 0.817 28.311 1.00 51.44 H new ATOM 0 HA TYR A 85 17.575 -0.251 30.470 1.00 21.41 H new ATOM 0 HB2 TYR A 85 20.445 -0.704 29.560 1.00 20.02 H new ATOM 0 HB3 TYR A 85 19.597 -1.710 30.718 1.00 20.02 H new ATOM 0 HD1 TYR A 85 16.856 -1.557 29.220 1.00 51.22 H new ATOM 0 HD2 TYR A 85 20.817 -2.459 27.934 1.00 55.40 H new ATOM 0 HE1 TYR A 85 15.950 -2.912 27.385 1.00 43.24 H new ATOM 0 HE2 TYR A 85 19.914 -3.809 26.093 1.00 31.40 H new ATOM 0 HH TYR A 85 16.782 -4.894 25.963 1.00 21.33 H new ATOM 1315 N ALA A 86 18.907 0.240 32.622 1.00 34.54 N ATOM 1316 CA ALA A 86 19.400 0.809 33.870 1.00 42.41 C ATOM 1317 C ALA A 86 20.376 -0.139 34.559 1.00 52.05 C ATOM 1318 O ALA A 86 21.347 0.295 35.179 1.00 72.03 O ATOM 1319 CB ALA A 86 18.239 1.139 34.796 1.00 74.52 C ATOM 0 H ALA A 86 18.374 -0.623 32.734 1.00 34.54 H new ATOM 0 HA ALA A 86 19.934 1.729 33.634 1.00 42.41 H new ATOM 0 HB1 ALA A 86 18.623 1.563 35.724 1.00 74.52 H new ATOM 0 HB2 ALA A 86 17.581 1.861 34.312 1.00 74.52 H new ATOM 0 HB3 ALA A 86 17.680 0.230 35.017 1.00 74.52 H new ATOM 1325 N LYS A 87 20.111 -1.436 34.446 1.00 23.34 N ATOM 1326 CA LYS A 87 20.966 -2.447 35.058 1.00 73.43 C ATOM 1327 C LYS A 87 20.851 -3.776 34.318 1.00 71.34 C ATOM 1328 O LYS A 87 19.809 -4.089 33.742 1.00 42.21 O ATOM 1329 CB LYS A 87 20.593 -2.637 36.530 1.00 70.53 C ATOM 1330 CG LYS A 87 21.263 -3.837 37.177 1.00 71.33 C ATOM 1331 CD LYS A 87 21.036 -3.860 38.679 1.00 3.41 C ATOM 1332 CE LYS A 87 22.315 -3.545 39.440 1.00 11.33 C ATOM 1333 NZ LYS A 87 22.077 -3.444 40.907 1.00 53.11 N ATOM 0 H LYS A 87 19.311 -1.812 33.937 1.00 23.34 H new ATOM 0 HA LYS A 87 21.998 -2.102 34.993 1.00 73.43 H new ATOM 0 HB2 LYS A 87 20.864 -1.738 37.084 1.00 70.53 H new ATOM 0 HB3 LYS A 87 19.512 -2.748 36.611 1.00 70.53 H new ATOM 0 HG2 LYS A 87 20.874 -4.754 36.735 1.00 71.33 H new ATOM 0 HG3 LYS A 87 22.333 -3.813 36.970 1.00 71.33 H new ATOM 0 HD2 LYS A 87 20.266 -3.135 38.943 1.00 3.41 H new ATOM 0 HD3 LYS A 87 20.666 -4.841 38.977 1.00 3.41 H new ATOM 0 HE2 LYS A 87 23.054 -4.322 39.245 1.00 11.33 H new ATOM 0 HE3 LYS A 87 22.733 -2.607 39.075 1.00 11.33 H new ATOM 0 HZ1 LYS A 87 22.972 -3.228 41.390 1.00 53.11 H new ATOM 0 HZ2 LYS A 87 21.390 -2.686 41.096 1.00 53.11 H new ATOM 0 HZ3 LYS A 87 21.702 -4.347 41.261 1.00 53.11 H new ATOM 1347 N ALA A 88 21.928 -4.555 34.339 1.00 53.15 N ATOM 1348 CA ALA A 88 21.946 -5.851 33.673 1.00 70.44 C ATOM 1349 C ALA A 88 21.857 -5.692 32.159 1.00 61.24 C ATOM 1350 O ALA A 88 20.985 -4.989 31.648 1.00 31.13 O ATOM 1351 CB ALA A 88 20.807 -6.722 34.181 1.00 32.25 C ATOM 0 H ALA A 88 22.799 -4.311 34.810 1.00 53.15 H new ATOM 0 HA ALA A 88 22.893 -6.338 33.906 1.00 70.44 H new ATOM 0 HB1 ALA A 88 20.833 -7.687 33.675 1.00 32.25 H new ATOM 0 HB2 ALA A 88 20.915 -6.873 35.255 1.00 32.25 H new ATOM 0 HB3 ALA A 88 19.855 -6.231 33.978 1.00 32.25 H new ATOM 1357 N VAL A 89 22.766 -6.349 31.445 1.00 71.23 N ATOM 1358 CA VAL A 89 22.790 -6.281 29.989 1.00 54.25 C ATOM 1359 C VAL A 89 23.358 -7.561 29.387 1.00 22.34 C ATOM 1360 O VAL A 89 24.539 -7.866 29.552 1.00 34.13 O ATOM 1361 CB VAL A 89 23.622 -5.082 29.496 1.00 1.05 C ATOM 1362 CG1 VAL A 89 23.673 -5.055 27.976 1.00 1.05 C ATOM 1363 CG2 VAL A 89 23.055 -3.780 30.042 1.00 21.23 C ATOM 0 H VAL A 89 23.496 -6.934 31.852 1.00 71.23 H new ATOM 0 HA VAL A 89 21.758 -6.157 29.662 1.00 54.25 H new ATOM 0 HB VAL A 89 24.641 -5.192 29.867 1.00 1.05 H new ATOM 0 HG11 VAL A 89 24.265 -4.201 27.647 1.00 1.05 H new ATOM 0 HG12 VAL A 89 24.129 -5.975 27.611 1.00 1.05 H new ATOM 0 HG13 VAL A 89 22.661 -4.969 27.579 1.00 1.05 H new ATOM 0 HG21 VAL A 89 23.655 -2.943 29.684 1.00 21.23 H new ATOM 0 HG22 VAL A 89 22.026 -3.660 29.702 1.00 21.23 H new ATOM 0 HG23 VAL A 89 23.077 -3.802 31.132 1.00 21.23 H new ATOM 1373 N GLY A 90 22.509 -8.308 28.688 1.00 21.32 N ATOM 1374 CA GLY A 90 22.945 -9.548 28.072 1.00 2.12 C ATOM 1375 C GLY A 90 21.933 -10.664 28.236 1.00 72.15 C ATOM 1376 O GLY A 90 22.026 -11.696 27.572 1.00 31.33 O ATOM 0 H GLY A 90 21.527 -8.077 28.537 1.00 21.32 H new ATOM 0 HA2 GLY A 90 23.126 -9.379 27.010 1.00 2.12 H new ATOM 0 HA3 GLY A 90 23.894 -9.855 28.512 1.00 2.12 H new ATOM 1380 N GLU A 91 20.964 -10.457 29.122 1.00 21.42 N ATOM 1381 CA GLU A 91 19.932 -11.457 29.372 1.00 40.21 C ATOM 1382 C GLU A 91 18.650 -11.115 28.619 1.00 53.52 C ATOM 1383 O GLU A 91 18.424 -9.975 28.212 1.00 43.42 O ATOM 1384 CB GLU A 91 19.644 -11.561 30.871 1.00 53.10 C ATOM 1385 CG GLU A 91 20.314 -12.750 31.538 1.00 32.15 C ATOM 1386 CD GLU A 91 19.768 -13.024 32.926 1.00 1.15 C ATOM 1387 OE1 GLU A 91 18.747 -13.734 33.034 1.00 73.04 O ATOM 1388 OE2 GLU A 91 20.363 -12.528 33.906 1.00 44.31 O ATOM 0 H GLU A 91 20.872 -9.607 29.678 1.00 21.42 H new ATOM 0 HA GLU A 91 20.299 -12.418 29.012 1.00 40.21 H new ATOM 0 HB2 GLU A 91 19.976 -10.646 31.361 1.00 53.10 H new ATOM 0 HB3 GLU A 91 18.567 -11.630 31.022 1.00 53.10 H new ATOM 0 HG2 GLU A 91 20.177 -13.635 30.917 1.00 32.15 H new ATOM 0 HG3 GLU A 91 21.387 -12.569 31.603 1.00 32.15 H new ATOM 1395 N PRO A 92 17.789 -12.125 28.428 1.00 54.02 N ATOM 1396 CA PRO A 92 16.514 -11.957 27.723 1.00 43.41 C ATOM 1397 C PRO A 92 15.515 -11.127 28.522 1.00 42.42 C ATOM 1398 O PRO A 92 15.622 -11.016 29.743 1.00 1.44 O ATOM 1399 CB PRO A 92 16.007 -13.392 27.559 1.00 3.40 C ATOM 1400 CG PRO A 92 16.649 -14.149 28.670 1.00 74.21 C ATOM 1401 CD PRO A 92 17.992 -13.510 28.886 1.00 43.43 C ATOM 0 HA PRO A 92 16.637 -11.424 26.780 1.00 43.41 H new ATOM 0 HB2 PRO A 92 14.920 -13.438 27.625 1.00 3.40 H new ATOM 0 HB3 PRO A 92 16.285 -13.802 26.588 1.00 3.40 H new ATOM 0 HG2 PRO A 92 16.044 -14.101 29.575 1.00 74.21 H new ATOM 0 HG3 PRO A 92 16.755 -15.203 28.413 1.00 74.21 H new ATOM 0 HD2 PRO A 92 18.291 -13.547 29.934 1.00 43.43 H new ATOM 0 HD3 PRO A 92 18.772 -14.012 28.314 1.00 43.43 H new ATOM 1409 N TYR A 93 14.545 -10.546 27.825 1.00 33.11 N ATOM 1410 CA TYR A 93 13.527 -9.724 28.470 1.00 63.42 C ATOM 1411 C TYR A 93 12.246 -9.694 27.642 1.00 62.31 C ATOM 1412 O TYR A 93 12.230 -10.115 26.485 1.00 32.41 O ATOM 1413 CB TYR A 93 14.047 -8.301 28.677 1.00 44.00 C ATOM 1414 CG TYR A 93 15.006 -7.844 27.601 1.00 50.13 C ATOM 1415 CD1 TYR A 93 14.543 -7.216 26.451 1.00 31.20 C ATOM 1416 CD2 TYR A 93 16.375 -8.039 27.734 1.00 23.03 C ATOM 1417 CE1 TYR A 93 15.415 -6.798 25.465 1.00 42.11 C ATOM 1418 CE2 TYR A 93 17.255 -7.623 26.754 1.00 41.41 C ATOM 1419 CZ TYR A 93 16.770 -7.003 25.621 1.00 2.00 C ATOM 1420 OH TYR A 93 17.643 -6.586 24.642 1.00 75.43 O ATOM 0 H TYR A 93 14.442 -10.629 26.814 1.00 33.11 H new ATOM 0 HA TYR A 93 13.301 -10.166 29.440 1.00 63.42 H new ATOM 0 HB2 TYR A 93 13.200 -7.615 28.712 1.00 44.00 H new ATOM 0 HB3 TYR A 93 14.545 -8.242 29.645 1.00 44.00 H new ATOM 0 HD1 TYR A 93 13.483 -7.052 26.326 1.00 31.20 H new ATOM 0 HD2 TYR A 93 16.758 -8.525 28.619 1.00 23.03 H new ATOM 0 HE1 TYR A 93 15.038 -6.313 24.577 1.00 42.11 H new ATOM 0 HE2 TYR A 93 18.316 -7.782 26.874 1.00 41.41 H new ATOM 0 HH TYR A 93 17.708 -5.608 24.656 1.00 75.43 H new ATOM 1430 N LYS A 94 11.173 -9.192 28.243 1.00 32.41 N ATOM 1431 CA LYS A 94 9.886 -9.104 27.564 1.00 52.15 C ATOM 1432 C LYS A 94 9.588 -7.667 27.147 1.00 63.13 C ATOM 1433 O LYS A 94 9.925 -6.721 27.860 1.00 41.35 O ATOM 1434 CB LYS A 94 8.769 -9.624 28.472 1.00 64.22 C ATOM 1435 CG LYS A 94 7.581 -10.187 27.713 1.00 75.44 C ATOM 1436 CD LYS A 94 6.435 -9.190 27.651 1.00 64.51 C ATOM 1437 CE LYS A 94 5.210 -9.702 28.393 1.00 63.31 C ATOM 1438 NZ LYS A 94 5.450 -9.798 29.859 1.00 31.05 N ATOM 0 H LYS A 94 11.169 -8.839 29.200 1.00 32.41 H new ATOM 0 HA LYS A 94 9.934 -9.722 26.668 1.00 52.15 H new ATOM 0 HB2 LYS A 94 9.173 -10.399 29.124 1.00 64.22 H new ATOM 0 HB3 LYS A 94 8.427 -8.813 29.115 1.00 64.22 H new ATOM 0 HG2 LYS A 94 7.888 -10.454 26.702 1.00 75.44 H new ATOM 0 HG3 LYS A 94 7.241 -11.104 28.195 1.00 75.44 H new ATOM 0 HD2 LYS A 94 6.753 -8.241 28.083 1.00 64.51 H new ATOM 0 HD3 LYS A 94 6.176 -8.996 26.610 1.00 64.51 H new ATOM 0 HE2 LYS A 94 4.367 -9.036 28.206 1.00 63.31 H new ATOM 0 HE3 LYS A 94 4.934 -10.683 28.005 1.00 63.31 H new ATOM 0 HZ1 LYS A 94 4.592 -10.151 30.329 1.00 31.05 H new ATOM 0 HZ2 LYS A 94 6.238 -10.453 30.040 1.00 31.05 H new ATOM 0 HZ3 LYS A 94 5.689 -8.858 30.234 1.00 31.05 H new ATOM 1452 N LEU A 95 8.955 -7.511 25.990 1.00 54.13 N ATOM 1453 CA LEU A 95 8.610 -6.189 25.479 1.00 52.34 C ATOM 1454 C LEU A 95 7.098 -6.030 25.354 1.00 71.31 C ATOM 1455 O LEU A 95 6.386 -6.988 25.051 1.00 53.45 O ATOM 1456 CB LEU A 95 9.272 -5.957 24.119 1.00 22.04 C ATOM 1457 CG LEU A 95 9.196 -4.532 23.570 1.00 72.24 C ATOM 1458 CD1 LEU A 95 10.323 -4.280 22.581 1.00 64.42 C ATOM 1459 CD2 LEU A 95 7.845 -4.285 22.915 1.00 74.12 C ATOM 0 H LEU A 95 8.670 -8.283 25.388 1.00 54.13 H new ATOM 0 HA LEU A 95 8.978 -5.446 26.187 1.00 52.34 H new ATOM 0 HB2 LEU A 95 10.322 -6.240 24.195 1.00 22.04 H new ATOM 0 HB3 LEU A 95 8.813 -6.629 23.394 1.00 22.04 H new ATOM 0 HG LEU A 95 9.308 -3.836 24.402 1.00 72.24 H new ATOM 0 HD11 LEU A 95 10.252 -3.261 22.201 1.00 64.42 H new ATOM 0 HD12 LEU A 95 11.282 -4.416 23.080 1.00 64.42 H new ATOM 0 HD13 LEU A 95 10.243 -4.983 21.752 1.00 64.42 H new ATOM 0 HD21 LEU A 95 7.808 -3.266 22.530 1.00 74.12 H new ATOM 0 HD22 LEU A 95 7.704 -4.988 22.094 1.00 74.12 H new ATOM 0 HD23 LEU A 95 7.053 -4.423 23.651 1.00 74.12 H new ATOM 1471 N VAL A 96 6.614 -4.815 25.588 1.00 40.50 N ATOM 1472 CA VAL A 96 5.187 -4.529 25.499 1.00 70.35 C ATOM 1473 C VAL A 96 4.934 -3.212 24.774 1.00 2.24 C ATOM 1474 O VAL A 96 5.297 -2.142 25.265 1.00 52.44 O ATOM 1475 CB VAL A 96 4.538 -4.468 26.894 1.00 23.12 C ATOM 1476 CG1 VAL A 96 3.026 -4.357 26.776 1.00 50.31 C ATOM 1477 CG2 VAL A 96 4.929 -5.687 27.717 1.00 53.24 C ATOM 0 H VAL A 96 7.190 -4.012 25.841 1.00 40.50 H new ATOM 0 HA VAL A 96 4.736 -5.344 24.933 1.00 70.35 H new ATOM 0 HB VAL A 96 4.904 -3.579 27.407 1.00 23.12 H new ATOM 0 HG11 VAL A 96 2.585 -4.315 27.772 1.00 50.31 H new ATOM 0 HG12 VAL A 96 2.769 -3.451 26.227 1.00 50.31 H new ATOM 0 HG13 VAL A 96 2.638 -5.225 26.244 1.00 50.31 H new ATOM 0 HG21 VAL A 96 4.462 -5.628 28.700 1.00 53.24 H new ATOM 0 HG22 VAL A 96 4.593 -6.591 27.210 1.00 53.24 H new ATOM 0 HG23 VAL A 96 6.013 -5.716 27.832 1.00 53.24 H new ATOM 1487 N LEU A 97 4.310 -3.296 23.605 1.00 35.41 N ATOM 1488 CA LEU A 97 4.007 -2.110 22.812 1.00 72.12 C ATOM 1489 C LEU A 97 2.500 -1.932 22.652 1.00 3.20 C ATOM 1490 O LEU A 97 1.774 -2.892 22.393 1.00 40.14 O ATOM 1491 CB LEU A 97 4.669 -2.209 21.436 1.00 32.54 C ATOM 1492 CG LEU A 97 5.735 -1.158 21.127 1.00 54.40 C ATOM 1493 CD1 LEU A 97 5.128 0.237 21.139 1.00 32.14 C ATOM 1494 CD2 LEU A 97 6.881 -1.251 22.123 1.00 63.21 C ATOM 0 H LEU A 97 4.004 -4.173 23.185 1.00 35.41 H new ATOM 0 HA LEU A 97 4.403 -1.241 23.337 1.00 72.12 H new ATOM 0 HB2 LEU A 97 5.123 -3.196 21.343 1.00 32.54 H new ATOM 0 HB3 LEU A 97 3.891 -2.143 20.675 1.00 32.54 H new ATOM 0 HG LEU A 97 6.130 -1.352 20.130 1.00 54.40 H new ATOM 0 HD11 LEU A 97 5.901 0.972 20.917 1.00 32.14 H new ATOM 0 HD12 LEU A 97 4.342 0.298 20.386 1.00 32.14 H new ATOM 0 HD13 LEU A 97 4.705 0.441 22.123 1.00 32.14 H new ATOM 0 HD21 LEU A 97 7.630 -0.495 21.887 1.00 63.21 H new ATOM 0 HD22 LEU A 97 6.501 -1.084 23.131 1.00 63.21 H new ATOM 0 HD23 LEU A 97 7.334 -2.241 22.065 1.00 63.21 H new ATOM 1506 N THR A 98 2.036 -0.696 22.807 1.00 41.45 N ATOM 1507 CA THR A 98 0.617 -0.391 22.679 1.00 53.45 C ATOM 1508 C THR A 98 0.396 0.851 21.822 1.00 62.23 C ATOM 1509 O THR A 98 0.941 1.918 22.106 1.00 62.34 O ATOM 1510 CB THR A 98 -0.037 -0.173 24.056 1.00 55.31 C ATOM 1511 OG1 THR A 98 0.427 -1.162 24.981 1.00 73.31 O ATOM 1512 CG2 THR A 98 -1.554 -0.240 23.952 1.00 64.24 C ATOM 0 H THR A 98 2.623 0.110 23.021 1.00 41.45 H new ATOM 0 HA THR A 98 0.152 -1.250 22.196 1.00 53.45 H new ATOM 0 HB THR A 98 0.243 0.818 24.414 1.00 55.31 H new ATOM 0 HG1 THR A 98 0.008 -1.015 25.854 1.00 73.31 H new ATOM 0 HG21 THR A 98 -1.994 -0.083 24.937 1.00 64.24 H new ATOM 0 HG22 THR A 98 -1.906 0.534 23.270 1.00 64.24 H new ATOM 0 HG23 THR A 98 -1.850 -1.219 23.574 1.00 64.24 H new ATOM 1520 N TYR A 99 -0.406 0.705 20.773 1.00 12.12 N ATOM 1521 CA TYR A 99 -0.697 1.815 19.874 1.00 75.03 C ATOM 1522 C TYR A 99 -2.184 2.156 19.893 1.00 74.02 C ATOM 1523 O TYR A 99 -3.036 1.272 19.797 1.00 45.34 O ATOM 1524 CB TYR A 99 -0.260 1.472 18.449 1.00 42.34 C ATOM 1525 CG TYR A 99 0.910 0.516 18.388 1.00 72.11 C ATOM 1526 CD1 TYR A 99 2.217 0.986 18.388 1.00 44.00 C ATOM 1527 CD2 TYR A 99 0.707 -0.857 18.329 1.00 25.34 C ATOM 1528 CE1 TYR A 99 3.289 0.116 18.332 1.00 42.11 C ATOM 1529 CE2 TYR A 99 1.773 -1.735 18.275 1.00 41.44 C ATOM 1530 CZ TYR A 99 3.062 -1.243 18.276 1.00 71.21 C ATOM 1531 OH TYR A 99 4.126 -2.114 18.220 1.00 41.21 O ATOM 0 H TYR A 99 -0.866 -0.171 20.525 1.00 12.12 H new ATOM 0 HA TYR A 99 -0.139 2.685 20.219 1.00 75.03 H new ATOM 0 HB2 TYR A 99 -1.104 1.035 17.914 1.00 42.34 H new ATOM 0 HB3 TYR A 99 0.006 2.392 17.928 1.00 42.34 H new ATOM 0 HD1 TYR A 99 2.399 2.050 18.433 1.00 44.00 H new ATOM 0 HD2 TYR A 99 -0.301 -1.245 18.325 1.00 25.34 H new ATOM 0 HE1 TYR A 99 4.299 0.498 18.332 1.00 42.11 H new ATOM 0 HE2 TYR A 99 1.598 -2.800 18.232 1.00 41.44 H new ATOM 0 HH TYR A 99 3.793 -3.035 18.186 1.00 41.21 H new ATOM 1541 N GLN A 100 -2.488 3.444 20.017 1.00 22.02 N ATOM 1542 CA GLN A 100 -3.872 3.903 20.049 1.00 24.32 C ATOM 1543 C GLN A 100 -3.976 5.351 19.583 1.00 41.01 C ATOM 1544 O GLN A 100 -3.315 6.237 20.124 1.00 72.24 O ATOM 1545 CB GLN A 100 -4.444 3.767 21.461 1.00 24.43 C ATOM 1546 CG GLN A 100 -5.791 4.448 21.640 1.00 5.24 C ATOM 1547 CD GLN A 100 -6.865 3.863 20.745 1.00 24.51 C ATOM 1548 OE1 GLN A 100 -6.725 3.839 19.522 1.00 41.41 O ATOM 1549 NE2 GLN A 100 -7.945 3.385 21.351 1.00 32.22 N ATOM 0 H GLN A 100 -1.795 4.188 20.097 1.00 22.02 H new ATOM 0 HA GLN A 100 -4.451 3.279 19.368 1.00 24.32 H new ATOM 0 HB2 GLN A 100 -4.546 2.709 21.702 1.00 24.43 H new ATOM 0 HB3 GLN A 100 -3.735 4.189 22.173 1.00 24.43 H new ATOM 0 HG2 GLN A 100 -6.103 4.359 22.681 1.00 5.24 H new ATOM 0 HG3 GLN A 100 -5.687 5.512 21.428 1.00 5.24 H new ATOM 0 HE21 GLN A 100 -8.019 3.425 22.367 1.00 32.22 H new ATOM 0 HE22 GLN A 100 -8.701 2.977 20.800 1.00 32.22 H new ATOM 1558 N GLY A 101 -4.811 5.585 18.575 1.00 64.54 N ATOM 1559 CA GLY A 101 -4.986 6.927 18.052 1.00 4.11 C ATOM 1560 C GLY A 101 -6.259 7.073 17.243 1.00 70.10 C ATOM 1561 O GLY A 101 -7.207 6.309 17.422 1.00 33.12 O ATOM 0 H GLY A 101 -5.370 4.868 18.111 1.00 64.54 H new ATOM 0 HA2 GLY A 101 -5.002 7.637 18.879 1.00 4.11 H new ATOM 0 HA3 GLY A 101 -4.131 7.184 17.427 1.00 4.11 H new ATOM 1565 N SER A 102 -6.282 8.058 16.351 1.00 62.13 N ATOM 1566 CA SER A 102 -7.451 8.305 15.515 1.00 42.21 C ATOM 1567 C SER A 102 -7.034 8.707 14.103 1.00 11.13 C ATOM 1568 O SER A 102 -5.862 8.976 13.843 1.00 2.14 O ATOM 1569 CB SER A 102 -8.323 9.400 16.132 1.00 34.34 C ATOM 1570 OG SER A 102 -9.449 8.844 16.791 1.00 44.14 O ATOM 0 H SER A 102 -5.505 8.698 16.189 1.00 62.13 H new ATOM 0 HA SER A 102 -8.027 7.381 15.456 1.00 42.21 H new ATOM 0 HB2 SER A 102 -7.734 9.983 16.840 1.00 34.34 H new ATOM 0 HB3 SER A 102 -8.656 10.087 15.353 1.00 34.34 H new ATOM 0 HG SER A 102 -10.111 8.561 16.126 1.00 44.14 H new ATOM 1576 N ALA A 103 -8.004 8.745 13.195 1.00 2.42 N ATOM 1577 CA ALA A 103 -7.739 9.116 11.811 1.00 54.14 C ATOM 1578 C ALA A 103 -7.924 10.615 11.599 1.00 72.24 C ATOM 1579 O ALA A 103 -8.842 11.220 12.151 1.00 74.14 O ATOM 1580 CB ALA A 103 -8.646 8.333 10.872 1.00 24.33 C ATOM 0 H ALA A 103 -8.980 8.523 13.393 1.00 2.42 H new ATOM 0 HA ALA A 103 -6.701 8.869 11.587 1.00 54.14 H new ATOM 0 HB1 ALA A 103 -8.437 8.620 9.841 1.00 24.33 H new ATOM 0 HB2 ALA A 103 -8.463 7.266 10.996 1.00 24.33 H new ATOM 0 HB3 ALA A 103 -9.688 8.552 11.106 1.00 24.33 H new ATOM 1586 N GLU A 104 -7.045 11.207 10.796 1.00 12.23 N ATOM 1587 CA GLU A 104 -7.112 12.636 10.514 1.00 42.23 C ATOM 1588 C GLU A 104 -8.458 13.007 9.898 1.00 31.12 C ATOM 1589 O GLU A 104 -8.868 14.167 9.928 1.00 21.23 O ATOM 1590 CB GLU A 104 -5.978 13.046 9.572 1.00 62.13 C ATOM 1591 CG GLU A 104 -5.353 14.387 9.918 1.00 21.35 C ATOM 1592 CD GLU A 104 -5.458 15.390 8.786 1.00 32.22 C ATOM 1593 OE1 GLU A 104 -5.140 15.023 7.636 1.00 71.40 O ATOM 1594 OE2 GLU A 104 -5.859 16.543 9.051 1.00 34.51 O ATOM 0 H GLU A 104 -6.279 10.720 10.330 1.00 12.23 H new ATOM 0 HA GLU A 104 -7.004 13.172 11.457 1.00 42.23 H new ATOM 0 HB2 GLU A 104 -5.205 12.278 9.593 1.00 62.13 H new ATOM 0 HB3 GLU A 104 -6.361 13.086 8.552 1.00 62.13 H new ATOM 0 HG2 GLU A 104 -5.841 14.793 10.804 1.00 21.35 H new ATOM 0 HG3 GLU A 104 -4.303 14.240 10.171 1.00 21.35 H new ATOM 1601 N ALA A 105 -9.141 12.013 9.340 1.00 65.43 N ATOM 1602 CA ALA A 105 -10.440 12.233 8.718 1.00 35.23 C ATOM 1603 C ALA A 105 -11.536 12.371 9.770 1.00 23.54 C ATOM 1604 O ALA A 105 -12.537 13.051 9.553 1.00 50.23 O ATOM 1605 CB ALA A 105 -10.766 11.097 7.760 1.00 55.02 C ATOM 0 H ALA A 105 -8.816 11.047 9.306 1.00 65.43 H new ATOM 0 HA ALA A 105 -10.392 13.165 8.156 1.00 35.23 H new ATOM 0 HB1 ALA A 105 -11.739 11.275 7.303 1.00 55.02 H new ATOM 0 HB2 ALA A 105 -10.004 11.046 6.983 1.00 55.02 H new ATOM 0 HB3 ALA A 105 -10.789 10.155 8.307 1.00 55.02 H new ATOM 1611 N GLY A 106 -11.338 11.719 10.912 1.00 35.44 N ATOM 1612 CA GLY A 106 -12.319 11.781 11.981 1.00 64.32 C ATOM 1613 C GLY A 106 -12.822 10.410 12.386 1.00 32.31 C ATOM 1614 O GLY A 106 -14.021 10.215 12.587 1.00 72.13 O ATOM 0 H GLY A 106 -10.517 11.149 11.116 1.00 35.44 H new ATOM 0 HA2 GLY A 106 -11.877 12.273 12.847 1.00 64.32 H new ATOM 0 HA3 GLY A 106 -13.162 12.394 11.662 1.00 64.32 H new ATOM 1618 N VAL A 107 -11.905 9.455 12.505 1.00 3.35 N ATOM 1619 CA VAL A 107 -12.262 8.095 12.889 1.00 72.32 C ATOM 1620 C VAL A 107 -11.539 7.675 14.164 1.00 71.04 C ATOM 1621 O VAL A 107 -10.381 8.035 14.380 1.00 15.42 O ATOM 1622 CB VAL A 107 -11.930 7.091 11.769 1.00 33.40 C ATOM 1623 CG1 VAL A 107 -12.161 5.664 12.245 1.00 3.40 C ATOM 1624 CG2 VAL A 107 -12.756 7.387 10.526 1.00 34.44 C ATOM 0 H VAL A 107 -10.909 9.599 12.341 1.00 3.35 H new ATOM 0 HA VAL A 107 -13.337 8.088 13.067 1.00 72.32 H new ATOM 0 HB VAL A 107 -10.876 7.197 11.511 1.00 33.40 H new ATOM 0 HG11 VAL A 107 -11.921 4.969 11.440 1.00 3.40 H new ATOM 0 HG12 VAL A 107 -11.522 5.459 13.104 1.00 3.40 H new ATOM 0 HG13 VAL A 107 -13.205 5.541 12.532 1.00 3.40 H new ATOM 0 HG21 VAL A 107 -12.509 6.668 9.745 1.00 34.44 H new ATOM 0 HG22 VAL A 107 -13.816 7.310 10.767 1.00 34.44 H new ATOM 0 HG23 VAL A 107 -12.536 8.395 10.174 1.00 34.44 H new ATOM 1634 N CYS A 108 -12.228 6.911 15.004 1.00 55.32 N ATOM 1635 CA CYS A 108 -11.652 6.442 16.259 1.00 70.22 C ATOM 1636 C CYS A 108 -11.641 4.918 16.315 1.00 24.33 C ATOM 1637 O CYS A 108 -12.688 4.275 16.230 1.00 5.34 O ATOM 1638 CB CYS A 108 -12.437 7.002 17.446 1.00 43.42 C ATOM 1639 SG CYS A 108 -11.762 6.543 19.059 1.00 14.35 S ATOM 0 H CYS A 108 -13.186 6.603 14.839 1.00 55.32 H new ATOM 0 HA CYS A 108 -10.623 6.798 16.313 1.00 70.22 H new ATOM 0 HB2 CYS A 108 -12.463 8.089 17.371 1.00 43.42 H new ATOM 0 HB3 CYS A 108 -13.468 6.654 17.383 1.00 43.42 H new ATOM 0 HG CYS A 108 -12.492 7.065 19.999 1.00 14.35 H new ATOM 1645 N TYR A 109 -10.450 4.345 16.457 1.00 14.34 N ATOM 1646 CA TYR A 109 -10.302 2.896 16.521 1.00 40.21 C ATOM 1647 C TYR A 109 -9.814 2.458 17.899 1.00 52.34 C ATOM 1648 O TYR A 109 -9.253 3.242 18.665 1.00 64.43 O ATOM 1649 CB TYR A 109 -9.327 2.415 15.446 1.00 65.25 C ATOM 1650 CG TYR A 109 -8.171 3.361 15.209 1.00 21.31 C ATOM 1651 CD1 TYR A 109 -8.298 4.442 14.346 1.00 54.11 C ATOM 1652 CD2 TYR A 109 -6.951 3.173 15.848 1.00 75.32 C ATOM 1653 CE1 TYR A 109 -7.245 5.309 14.126 1.00 31.31 C ATOM 1654 CE2 TYR A 109 -5.893 4.035 15.635 1.00 34.02 C ATOM 1655 CZ TYR A 109 -6.045 5.101 14.773 1.00 1.24 C ATOM 1656 OH TYR A 109 -4.993 5.962 14.558 1.00 62.51 O ATOM 0 H TYR A 109 -9.574 4.862 16.530 1.00 14.34 H new ATOM 0 HA TYR A 109 -11.280 2.448 16.343 1.00 40.21 H new ATOM 0 HB2 TYR A 109 -8.934 1.440 15.734 1.00 65.25 H new ATOM 0 HB3 TYR A 109 -9.870 2.277 14.511 1.00 65.25 H new ATOM 0 HD1 TYR A 109 -9.237 4.608 13.838 1.00 54.11 H new ATOM 0 HD2 TYR A 109 -6.828 2.339 16.523 1.00 75.32 H new ATOM 0 HE1 TYR A 109 -7.361 6.144 13.451 1.00 31.31 H new ATOM 0 HE2 TYR A 109 -4.952 3.875 16.141 1.00 34.02 H new ATOM 0 HH TYR A 109 -5.042 6.317 13.646 1.00 62.51 H new ATOM 1666 N PRO A 110 -10.033 1.175 18.222 1.00 2.11 N ATOM 1667 CA PRO A 110 -9.623 0.602 19.507 1.00 24.14 C ATOM 1668 C PRO A 110 -8.108 0.477 19.629 1.00 22.34 C ATOM 1669 O PRO A 110 -7.376 0.519 18.640 1.00 23.54 O ATOM 1670 CB PRO A 110 -10.275 -0.783 19.503 1.00 40.24 C ATOM 1671 CG PRO A 110 -10.439 -1.119 18.061 1.00 61.34 C ATOM 1672 CD PRO A 110 -10.697 0.185 17.358 1.00 64.22 C ATOM 0 HA PRO A 110 -9.925 1.228 20.347 1.00 24.14 H new ATOM 0 HB2 PRO A 110 -9.650 -1.517 20.012 1.00 40.24 H new ATOM 0 HB3 PRO A 110 -11.235 -0.770 20.018 1.00 40.24 H new ATOM 0 HG2 PRO A 110 -9.545 -1.603 17.669 1.00 61.34 H new ATOM 0 HG3 PRO A 110 -11.267 -1.812 17.914 1.00 61.34 H new ATOM 0 HD2 PRO A 110 -10.281 0.188 16.351 1.00 64.22 H new ATOM 0 HD3 PRO A 110 -11.764 0.386 17.263 1.00 64.22 H new ATOM 1680 N PRO A 111 -7.624 0.319 20.870 1.00 33.25 N ATOM 1681 CA PRO A 111 -6.192 0.183 21.151 1.00 42.14 C ATOM 1682 C PRO A 111 -5.628 -1.144 20.656 1.00 24.54 C ATOM 1683 O PRO A 111 -6.342 -2.144 20.580 1.00 21.32 O ATOM 1684 CB PRO A 111 -6.120 0.259 22.678 1.00 52.22 C ATOM 1685 CG PRO A 111 -7.460 -0.196 23.143 1.00 54.31 C ATOM 1686 CD PRO A 111 -8.439 0.260 22.096 1.00 62.12 C ATOM 0 HA PRO A 111 -5.603 0.948 20.645 1.00 42.14 H new ATOM 0 HB2 PRO A 111 -5.327 -0.379 23.069 1.00 52.22 H new ATOM 0 HB3 PRO A 111 -5.908 1.274 23.014 1.00 52.22 H new ATOM 0 HG2 PRO A 111 -7.486 -1.280 23.256 1.00 54.31 H new ATOM 0 HG3 PRO A 111 -7.702 0.232 24.116 1.00 54.31 H new ATOM 0 HD2 PRO A 111 -9.271 -0.437 21.993 1.00 62.12 H new ATOM 0 HD3 PRO A 111 -8.866 1.232 22.342 1.00 62.12 H new ATOM 1694 N VAL A 112 -4.341 -1.148 20.322 1.00 51.32 N ATOM 1695 CA VAL A 112 -3.681 -2.353 19.836 1.00 25.42 C ATOM 1696 C VAL A 112 -2.460 -2.691 20.685 1.00 44.23 C ATOM 1697 O VAL A 112 -1.460 -1.972 20.666 1.00 32.11 O ATOM 1698 CB VAL A 112 -3.245 -2.202 18.367 1.00 43.43 C ATOM 1699 CG1 VAL A 112 -2.787 -3.539 17.804 1.00 11.24 C ATOM 1700 CG2 VAL A 112 -4.377 -1.623 17.533 1.00 55.34 C ATOM 0 H VAL A 112 -3.735 -0.329 20.379 1.00 51.32 H new ATOM 0 HA VAL A 112 -4.407 -3.163 19.910 1.00 25.42 H new ATOM 0 HB VAL A 112 -2.403 -1.511 18.326 1.00 43.43 H new ATOM 0 HG11 VAL A 112 -2.483 -3.411 16.765 1.00 11.24 H new ATOM 0 HG12 VAL A 112 -1.943 -3.909 18.386 1.00 11.24 H new ATOM 0 HG13 VAL A 112 -3.606 -4.256 17.857 1.00 11.24 H new ATOM 0 HG21 VAL A 112 -4.052 -1.523 16.498 1.00 55.34 H new ATOM 0 HG22 VAL A 112 -5.240 -2.287 17.580 1.00 55.34 H new ATOM 0 HG23 VAL A 112 -4.652 -0.643 17.923 1.00 55.34 H new ATOM 1710 N ASP A 113 -2.547 -3.789 21.427 1.00 15.44 N ATOM 1711 CA ASP A 113 -1.449 -4.223 22.282 1.00 20.25 C ATOM 1712 C ASP A 113 -0.663 -5.353 21.625 1.00 30.41 C ATOM 1713 O ASP A 113 -1.241 -6.250 21.009 1.00 25.13 O ATOM 1714 CB ASP A 113 -1.982 -4.679 23.642 1.00 60.34 C ATOM 1715 CG ASP A 113 -2.555 -6.082 23.598 1.00 72.15 C ATOM 1716 OD1 ASP A 113 -3.414 -6.345 22.730 1.00 11.42 O ATOM 1717 OD2 ASP A 113 -2.145 -6.917 24.431 1.00 34.30 O ATOM 0 H ASP A 113 -3.367 -4.395 21.454 1.00 15.44 H new ATOM 0 HA ASP A 113 -0.779 -3.376 22.429 1.00 20.25 H new ATOM 0 HB2 ASP A 113 -1.177 -4.641 24.376 1.00 60.34 H new ATOM 0 HB3 ASP A 113 -2.753 -3.985 23.978 1.00 60.34 H new ATOM 1722 N THR A 114 0.659 -5.304 21.759 1.00 72.12 N ATOM 1723 CA THR A 114 1.524 -6.322 21.176 1.00 4.42 C ATOM 1724 C THR A 114 2.832 -6.440 21.951 1.00 72.50 C ATOM 1725 O THR A 114 3.559 -5.461 22.113 1.00 53.14 O ATOM 1726 CB THR A 114 1.841 -6.012 19.701 1.00 64.00 C ATOM 1727 OG1 THR A 114 1.204 -4.791 19.309 1.00 63.02 O ATOM 1728 CG2 THR A 114 1.377 -7.145 18.798 1.00 12.04 C ATOM 0 H THR A 114 1.154 -4.570 22.266 1.00 72.12 H new ATOM 0 HA THR A 114 0.984 -7.267 21.233 1.00 4.42 H new ATOM 0 HB THR A 114 2.921 -5.907 19.599 1.00 64.00 H new ATOM 0 HG1 THR A 114 1.135 -4.757 18.332 1.00 63.02 H new ATOM 0 HG21 THR A 114 1.612 -6.903 17.761 1.00 12.04 H new ATOM 0 HG22 THR A 114 1.886 -8.067 19.080 1.00 12.04 H new ATOM 0 HG23 THR A 114 0.300 -7.278 18.905 1.00 12.04 H new ATOM 1736 N GLU A 115 3.125 -7.647 22.427 1.00 12.42 N ATOM 1737 CA GLU A 115 4.346 -7.892 23.185 1.00 11.14 C ATOM 1738 C GLU A 115 5.378 -8.623 22.332 1.00 23.43 C ATOM 1739 O GLU A 115 5.035 -9.496 21.535 1.00 71.23 O ATOM 1740 CB GLU A 115 4.037 -8.707 24.443 1.00 71.44 C ATOM 1741 CG GLU A 115 3.328 -7.912 25.525 1.00 14.53 C ATOM 1742 CD GLU A 115 1.876 -7.631 25.187 1.00 22.21 C ATOM 1743 OE1 GLU A 115 1.092 -8.598 25.090 1.00 14.32 O ATOM 1744 OE2 GLU A 115 1.525 -6.444 25.020 1.00 64.34 O ATOM 0 H GLU A 115 2.534 -8.469 22.301 1.00 12.42 H new ATOM 0 HA GLU A 115 4.761 -6.928 23.479 1.00 11.14 H new ATOM 0 HB2 GLU A 115 3.419 -9.562 24.169 1.00 71.44 H new ATOM 0 HB3 GLU A 115 4.969 -9.103 24.847 1.00 71.44 H new ATOM 0 HG2 GLU A 115 3.378 -8.461 26.466 1.00 14.53 H new ATOM 0 HG3 GLU A 115 3.851 -6.968 25.678 1.00 14.53 H new ATOM 1751 N PHE A 116 6.645 -8.261 22.506 1.00 12.51 N ATOM 1752 CA PHE A 116 7.728 -8.880 21.752 1.00 60.33 C ATOM 1753 C PHE A 116 8.750 -9.516 22.690 1.00 72.11 C ATOM 1754 O PHE A 116 9.271 -8.861 23.593 1.00 63.23 O ATOM 1755 CB PHE A 116 8.414 -7.844 20.859 1.00 60.32 C ATOM 1756 CG PHE A 116 7.463 -7.094 19.971 1.00 34.12 C ATOM 1757 CD1 PHE A 116 6.545 -7.773 19.186 1.00 20.21 C ATOM 1758 CD2 PHE A 116 7.486 -5.710 19.922 1.00 44.55 C ATOM 1759 CE1 PHE A 116 5.668 -7.086 18.368 1.00 12.24 C ATOM 1760 CE2 PHE A 116 6.611 -5.017 19.106 1.00 5.22 C ATOM 1761 CZ PHE A 116 5.702 -5.706 18.328 1.00 51.23 C ATOM 0 H PHE A 116 6.947 -7.542 23.163 1.00 12.51 H new ATOM 0 HA PHE A 116 7.300 -9.662 21.126 1.00 60.33 H new ATOM 0 HB2 PHE A 116 8.950 -7.132 21.487 1.00 60.32 H new ATOM 0 HB3 PHE A 116 9.158 -8.345 20.240 1.00 60.32 H new ATOM 0 HD1 PHE A 116 6.514 -8.852 19.214 1.00 20.21 H new ATOM 0 HD2 PHE A 116 8.195 -5.166 20.528 1.00 44.55 H new ATOM 0 HE1 PHE A 116 4.957 -7.627 17.761 1.00 12.24 H new ATOM 0 HE2 PHE A 116 6.639 -3.938 19.077 1.00 5.22 H new ATOM 0 HZ PHE A 116 5.019 -5.167 17.689 1.00 51.23 H new ATOM 1771 N ASP A 117 9.030 -10.796 22.470 1.00 41.33 N ATOM 1772 CA ASP A 117 9.990 -11.521 23.294 1.00 35.23 C ATOM 1773 C ASP A 117 11.409 -11.335 22.768 1.00 41.52 C ATOM 1774 O ASP A 117 11.741 -11.793 21.674 1.00 22.24 O ATOM 1775 CB ASP A 117 9.638 -13.009 23.333 1.00 23.33 C ATOM 1776 CG ASP A 117 8.878 -13.392 24.588 1.00 60.02 C ATOM 1777 OD1 ASP A 117 8.011 -12.604 25.020 1.00 1.34 O ATOM 1778 OD2 ASP A 117 9.149 -14.480 25.137 1.00 63.24 O ATOM 0 H ASP A 117 8.606 -11.353 21.728 1.00 41.33 H new ATOM 0 HA ASP A 117 9.942 -11.117 24.305 1.00 35.23 H new ATOM 0 HB2 ASP A 117 9.039 -13.261 22.458 1.00 23.33 H new ATOM 0 HB3 ASP A 117 10.553 -13.598 23.272 1.00 23.33 H new ATOM 1783 N ILE A 118 12.241 -10.658 23.552 1.00 3.12 N ATOM 1784 CA ILE A 118 13.625 -10.411 23.165 1.00 55.24 C ATOM 1785 C ILE A 118 14.557 -11.463 23.755 1.00 2.22 C ATOM 1786 O ILE A 118 14.459 -11.804 24.934 1.00 13.32 O ATOM 1787 CB ILE A 118 14.094 -9.014 23.614 1.00 61.54 C ATOM 1788 CG1 ILE A 118 12.980 -7.987 23.406 1.00 40.52 C ATOM 1789 CG2 ILE A 118 15.347 -8.607 22.853 1.00 50.02 C ATOM 1790 CD1 ILE A 118 12.518 -7.878 21.969 1.00 3.05 C ATOM 0 H ILE A 118 11.981 -10.271 24.459 1.00 3.12 H new ATOM 0 HA ILE A 118 13.663 -10.466 22.077 1.00 55.24 H new ATOM 0 HB ILE A 118 14.334 -9.051 24.677 1.00 61.54 H new ATOM 0 HG12 ILE A 118 12.129 -8.254 24.033 1.00 40.52 H new ATOM 0 HG13 ILE A 118 13.330 -7.011 23.742 1.00 40.52 H new ATOM 0 HG21 ILE A 118 15.667 -7.618 23.181 1.00 50.02 H new ATOM 0 HG22 ILE A 118 16.141 -9.328 23.047 1.00 50.02 H new ATOM 0 HG23 ILE A 118 15.132 -8.583 21.785 1.00 50.02 H new ATOM 0 HD11 ILE A 118 11.727 -7.131 21.897 1.00 3.05 H new ATOM 0 HD12 ILE A 118 13.356 -7.581 21.339 1.00 3.05 H new ATOM 0 HD13 ILE A 118 12.137 -8.843 21.635 1.00 3.05 H new ATOM 1802 N PHE A 119 15.464 -11.973 22.928 1.00 12.14 N ATOM 1803 CA PHE A 119 16.416 -12.986 23.369 1.00 51.13 C ATOM 1804 C PHE A 119 17.566 -13.120 22.375 1.00 2.30 C ATOM 1805 O PHE A 119 18.143 -14.195 22.217 1.00 1.24 O ATOM 1806 CB PHE A 119 15.715 -14.335 23.539 1.00 31.32 C ATOM 1807 CG PHE A 119 14.617 -14.571 22.542 1.00 42.25 C ATOM 1808 CD1 PHE A 119 14.833 -14.353 21.190 1.00 34.13 C ATOM 1809 CD2 PHE A 119 13.370 -15.009 22.955 1.00 34.41 C ATOM 1810 CE1 PHE A 119 13.825 -14.569 20.269 1.00 34.24 C ATOM 1811 CE2 PHE A 119 12.358 -15.228 22.039 1.00 41.31 C ATOM 1812 CZ PHE A 119 12.585 -15.006 20.695 1.00 64.13 C ATOM 0 H PHE A 119 15.560 -11.702 21.949 1.00 12.14 H new ATOM 0 HA PHE A 119 16.824 -12.672 24.330 1.00 51.13 H new ATOM 0 HB2 PHE A 119 16.453 -15.132 23.450 1.00 31.32 H new ATOM 0 HB3 PHE A 119 15.300 -14.395 24.545 1.00 31.32 H new ATOM 0 HD1 PHE A 119 15.800 -14.010 20.852 1.00 34.13 H new ATOM 0 HD2 PHE A 119 13.186 -15.182 24.005 1.00 34.41 H new ATOM 0 HE1 PHE A 119 14.006 -14.397 19.218 1.00 34.24 H new ATOM 0 HE2 PHE A 119 11.391 -15.572 22.374 1.00 41.31 H new ATOM 0 HZ PHE A 119 11.795 -15.174 19.978 1.00 64.13 H new ATOM 1822 N GLY A 120 17.894 -12.018 21.706 1.00 33.20 N ATOM 1823 CA GLY A 120 18.972 -12.033 20.735 1.00 5.04 C ATOM 1824 C GLY A 120 18.469 -12.158 19.311 1.00 22.51 C ATOM 1825 O GLY A 120 18.092 -13.244 18.873 1.00 71.23 O ATOM 0 H GLY A 120 17.432 -11.116 21.820 1.00 33.20 H new ATOM 0 HA2 GLY A 120 19.556 -11.118 20.831 1.00 5.04 H new ATOM 0 HA3 GLY A 120 19.643 -12.864 20.954 1.00 5.04 H new ATOM 1829 N ASN A 121 18.462 -11.044 18.587 1.00 1.23 N ATOM 1830 CA ASN A 121 17.999 -11.033 17.204 1.00 31.54 C ATOM 1831 C ASN A 121 18.105 -9.634 16.606 1.00 61.34 C ATOM 1832 O ASN A 121 18.576 -9.463 15.482 1.00 12.50 O ATOM 1833 CB ASN A 121 16.552 -11.526 17.125 1.00 4.24 C ATOM 1834 CG ASN A 121 16.356 -12.572 16.046 1.00 60.43 C ATOM 1835 OD1 ASN A 121 16.469 -13.772 16.300 1.00 4.42 O ATOM 1836 ND2 ASN A 121 16.060 -12.122 14.832 1.00 10.11 N ATOM 0 H ASN A 121 18.772 -10.137 18.935 1.00 1.23 H new ATOM 0 HA ASN A 121 18.636 -11.704 16.628 1.00 31.54 H new ATOM 0 HB2 ASN A 121 16.260 -11.943 18.089 1.00 4.24 H new ATOM 0 HB3 ASN A 121 15.893 -10.680 16.931 1.00 4.24 H new ATOM 0 HD21 ASN A 121 15.917 -12.779 14.065 1.00 10.11 H new ATOM 0 HD22 ASN A 121 15.976 -11.119 14.666 1.00 10.11 H new ATOM 1843 N GLY A 122 17.664 -8.636 17.365 1.00 21.14 N ATOM 1844 CA GLY A 122 17.719 -7.265 16.894 1.00 54.23 C ATOM 1845 C GLY A 122 16.387 -6.785 16.351 1.00 0.13 C ATOM 1846 O GLY A 122 15.718 -5.956 16.969 1.00 11.13 O ATOM 0 H GLY A 122 17.269 -8.753 18.298 1.00 21.14 H new ATOM 0 HA2 GLY A 122 18.030 -6.615 17.712 1.00 54.23 H new ATOM 0 HA3 GLY A 122 18.477 -7.182 16.115 1.00 54.23 H new ATOM 1850 N THR A 123 16.000 -7.305 15.191 1.00 62.34 N ATOM 1851 CA THR A 123 14.741 -6.923 14.563 1.00 24.13 C ATOM 1852 C THR A 123 13.603 -7.830 15.017 1.00 64.20 C ATOM 1853 O THR A 123 13.747 -9.053 15.051 1.00 12.43 O ATOM 1854 CB THR A 123 14.841 -6.973 13.027 1.00 24.20 C ATOM 1855 OG1 THR A 123 16.179 -6.674 12.613 1.00 22.21 O ATOM 1856 CG2 THR A 123 13.875 -5.986 12.389 1.00 23.24 C ATOM 0 H THR A 123 16.541 -7.993 14.667 1.00 62.34 H new ATOM 0 HA THR A 123 14.531 -5.899 14.872 1.00 24.13 H new ATOM 0 HB THR A 123 14.576 -7.979 12.701 1.00 24.20 H new ATOM 0 HG1 THR A 123 16.235 -6.710 11.635 1.00 22.21 H new ATOM 0 HG21 THR A 123 13.964 -6.040 11.304 1.00 23.24 H new ATOM 0 HG22 THR A 123 12.855 -6.234 12.682 1.00 23.24 H new ATOM 0 HG23 THR A 123 14.113 -4.976 12.723 1.00 23.24 H new ATOM 1864 N TYR A 124 12.473 -7.225 15.364 1.00 40.33 N ATOM 1865 CA TYR A 124 11.310 -7.979 15.817 1.00 2.51 C ATOM 1866 C TYR A 124 10.020 -7.361 15.286 1.00 70.51 C ATOM 1867 O TYR A 124 9.923 -6.146 15.116 1.00 45.34 O ATOM 1868 CB TYR A 124 11.273 -8.029 17.345 1.00 1.24 C ATOM 1869 CG TYR A 124 12.518 -8.625 17.962 1.00 21.30 C ATOM 1870 CD1 TYR A 124 13.681 -7.876 18.092 1.00 14.31 C ATOM 1871 CD2 TYR A 124 12.531 -9.939 18.416 1.00 44.34 C ATOM 1872 CE1 TYR A 124 14.820 -8.417 18.654 1.00 25.11 C ATOM 1873 CE2 TYR A 124 13.666 -10.488 18.980 1.00 3.14 C ATOM 1874 CZ TYR A 124 14.808 -9.723 19.097 1.00 64.31 C ATOM 1875 OH TYR A 124 15.941 -10.266 19.659 1.00 44.24 O ATOM 0 H TYR A 124 12.337 -6.214 15.340 1.00 40.33 H new ATOM 0 HA TYR A 124 11.392 -8.994 15.428 1.00 2.51 H new ATOM 0 HB2 TYR A 124 11.135 -7.019 17.730 1.00 1.24 H new ATOM 0 HB3 TYR A 124 10.407 -8.611 17.660 1.00 1.24 H new ATOM 0 HD1 TYR A 124 13.694 -6.853 17.747 1.00 14.31 H new ATOM 0 HD2 TYR A 124 11.639 -10.541 18.326 1.00 44.34 H new ATOM 0 HE1 TYR A 124 15.716 -7.821 18.746 1.00 25.11 H new ATOM 0 HE2 TYR A 124 13.659 -11.511 19.327 1.00 3.14 H new ATOM 0 HH TYR A 124 16.458 -9.560 20.100 1.00 44.24 H new ATOM 1885 N HIS A 125 9.029 -8.209 15.026 1.00 24.13 N ATOM 1886 CA HIS A 125 7.743 -7.749 14.515 1.00 2.55 C ATOM 1887 C HIS A 125 6.608 -8.632 15.025 1.00 4.11 C ATOM 1888 O HIS A 125 6.800 -9.804 15.350 1.00 55.01 O ATOM 1889 CB HIS A 125 7.751 -7.740 12.987 1.00 42.04 C ATOM 1890 CG HIS A 125 8.547 -6.616 12.398 1.00 25.20 C ATOM 1891 ND1 HIS A 125 9.884 -6.463 12.246 1.00 71.51 N flip ATOM 1892 CD2 HIS A 125 7.971 -5.474 11.883 1.00 13.42 C flip ATOM 1893 CE1 HIS A 125 10.088 -5.244 11.647 1.00 11.10 C flip ATOM 1894 NE2 HIS A 125 8.918 -4.668 11.438 1.00 10.11 N flip ATOM 0 H HIS A 125 9.093 -9.218 15.161 1.00 24.13 H new ATOM 0 HA HIS A 125 7.579 -6.733 14.875 1.00 2.55 H new ATOM 0 HB2 HIS A 125 8.155 -8.687 12.629 1.00 42.04 H new ATOM 0 HB3 HIS A 125 6.724 -7.675 12.627 1.00 42.04 H new ATOM 0 HD2 HIS A 125 6.911 -5.270 11.849 1.00 13.42 H new ATOM 0 HE1 HIS A 125 11.049 -4.825 11.389 1.00 11.10 H new ATOM 0 HE2 HIS A 125 8.771 -3.756 11.006 1.00 10.11 H new ATOM 1902 N PRO A 126 5.398 -8.058 15.098 1.00 22.22 N ATOM 1903 CA PRO A 126 4.209 -8.775 15.568 1.00 61.53 C ATOM 1904 C PRO A 126 3.751 -9.845 14.582 1.00 33.25 C ATOM 1905 O PRO A 126 3.783 -9.639 13.370 1.00 42.23 O ATOM 1906 CB PRO A 126 3.154 -7.673 15.689 1.00 44.32 C ATOM 1907 CG PRO A 126 3.594 -6.621 14.730 1.00 43.11 C ATOM 1908 CD PRO A 126 5.097 -6.665 14.727 1.00 23.24 C ATOM 0 HA PRO A 126 4.396 -9.308 16.500 1.00 61.53 H new ATOM 0 HB2 PRO A 126 2.161 -8.046 15.439 1.00 44.32 H new ATOM 0 HB3 PRO A 126 3.102 -7.285 16.706 1.00 44.32 H new ATOM 0 HG2 PRO A 126 3.196 -6.811 13.733 1.00 43.11 H new ATOM 0 HG3 PRO A 126 3.233 -5.639 15.036 1.00 43.11 H new ATOM 0 HD2 PRO A 126 5.504 -6.413 13.748 1.00 23.24 H new ATOM 0 HD3 PRO A 126 5.521 -5.958 15.440 1.00 23.24 H new ATOM 1916 N GLN A 127 3.324 -10.987 15.112 1.00 30.11 N ATOM 1917 CA GLN A 127 2.859 -12.089 14.278 1.00 42.13 C ATOM 1918 C GLN A 127 1.336 -12.127 14.225 1.00 55.31 C ATOM 1919 O GLN A 127 0.717 -13.145 14.539 1.00 42.55 O ATOM 1920 CB GLN A 127 3.396 -13.420 14.808 1.00 41.51 C ATOM 1921 CG GLN A 127 4.913 -13.477 14.883 1.00 3.35 C ATOM 1922 CD GLN A 127 5.433 -14.878 15.136 1.00 33.31 C ATOM 1923 OE1 GLN A 127 4.793 -15.865 14.771 1.00 32.13 O ATOM 1924 NE2 GLN A 127 6.599 -14.974 15.764 1.00 41.54 N ATOM 0 H GLN A 127 3.291 -11.173 16.114 1.00 30.11 H new ATOM 0 HA GLN A 127 3.235 -11.930 13.268 1.00 42.13 H new ATOM 0 HB2 GLN A 127 2.984 -13.599 15.801 1.00 41.51 H new ATOM 0 HB3 GLN A 127 3.042 -14.227 14.166 1.00 41.51 H new ATOM 0 HG2 GLN A 127 5.333 -13.101 13.950 1.00 3.35 H new ATOM 0 HG3 GLN A 127 5.259 -12.816 15.678 1.00 3.35 H new ATOM 0 HE21 GLN A 127 7.096 -14.130 16.049 1.00 41.54 H new ATOM 0 HE22 GLN A 127 6.998 -15.892 15.962 1.00 41.54 H new ATOM 1933 N THR A 128 0.734 -11.010 13.826 1.00 1.14 N ATOM 1934 CA THR A 128 -0.717 -10.915 13.734 1.00 52.40 C ATOM 1935 C THR A 128 -1.137 -10.057 12.546 1.00 13.41 C ATOM 1936 O THR A 128 -0.737 -10.313 11.410 1.00 55.31 O ATOM 1937 CB THR A 128 -1.324 -10.323 15.020 1.00 34.11 C ATOM 1938 OG1 THR A 128 -2.719 -10.060 14.828 1.00 62.33 O ATOM 1939 CG2 THR A 128 -0.611 -9.039 15.414 1.00 3.25 C ATOM 0 H THR A 128 1.230 -10.159 13.562 1.00 1.14 H new ATOM 0 HA THR A 128 -1.092 -11.929 13.597 1.00 52.40 H new ATOM 0 HB THR A 128 -1.199 -11.050 15.822 1.00 34.11 H new ATOM 0 HG1 THR A 128 -3.098 -9.685 15.651 1.00 62.33 H new ATOM 0 HG21 THR A 128 -1.057 -8.640 16.325 1.00 3.25 H new ATOM 0 HG22 THR A 128 0.445 -9.248 15.588 1.00 3.25 H new ATOM 0 HG23 THR A 128 -0.708 -8.308 14.612 1.00 3.25 H new TER 1947 THR A 128