USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0.117 (180deg=0.0186) USER MOD Single : A 3 MET CE :methyl 171:sc= 0 (180deg=-0.0898) USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -0.0719 (180deg=-0.338!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.448 USER MOD Single : A 19 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 35 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.44) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -80:sc= -0.7 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -118:sc= 0.179 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 88 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0265 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.782 -5.876 -19.497 1.00 40.13 N ATOM 2 CA GLY A 1 2.544 -6.098 -18.720 1.00 40.31 C ATOM 3 C GLY A 1 1.601 -4.926 -18.832 1.00 1.42 C ATOM 4 O GLY A 1 2.034 -3.841 -19.203 1.00 22.50 O ATOM 0 H1 GLY A 1 4.345 -6.750 -19.509 1.00 40.13 H new ATOM 0 H2 GLY A 1 3.537 -5.608 -20.472 1.00 40.13 H new ATOM 0 H3 GLY A 1 4.336 -5.113 -19.057 1.00 40.13 H new ATOM 0 HA2 GLY A 1 2.047 -7.001 -19.076 1.00 40.31 H new ATOM 0 HA3 GLY A 1 2.796 -6.264 -17.673 1.00 40.31 H new ATOM 8 N ALA A 2 0.318 -5.116 -18.513 1.00 30.10 N ATOM 9 CA ALA A 2 -0.663 -4.032 -18.640 1.00 51.44 C ATOM 10 C ALA A 2 -0.480 -3.003 -17.506 1.00 50.24 C ATOM 11 O ALA A 2 -0.704 -1.810 -17.684 1.00 70.31 O ATOM 12 CB ALA A 2 -2.075 -4.609 -18.608 1.00 64.34 C ATOM 0 H ALA A 2 -0.063 -5.997 -18.169 1.00 30.10 H new ATOM 0 HA ALA A 2 -0.507 -3.524 -19.592 1.00 51.44 H new ATOM 0 HB1 ALA A 2 -2.800 -3.801 -18.703 1.00 64.34 H new ATOM 0 HB2 ALA A 2 -2.201 -5.308 -19.434 1.00 64.34 H new ATOM 0 HB3 ALA A 2 -2.234 -5.130 -17.664 1.00 64.34 H new ATOM 18 N MET A 3 -0.096 -3.497 -16.337 1.00 34.42 N ATOM 19 CA MET A 3 0.123 -2.680 -15.149 1.00 53.14 C ATOM 20 C MET A 3 1.336 -3.258 -14.451 1.00 13.21 C ATOM 21 O MET A 3 1.648 -4.435 -14.640 1.00 63.22 O ATOM 22 CB MET A 3 -1.074 -2.765 -14.198 1.00 24.53 C ATOM 23 CG MET A 3 -2.360 -2.142 -14.755 1.00 4.10 C ATOM 24 SD MET A 3 -3.760 -2.354 -13.598 1.00 53.24 S ATOM 25 CE MET A 3 -3.317 -1.225 -12.255 1.00 44.24 C ATOM 0 H MET A 3 0.075 -4.491 -16.184 1.00 34.42 H new ATOM 0 HA MET A 3 0.260 -1.636 -15.429 1.00 53.14 H new ATOM 0 HB2 MET A 3 -1.263 -3.812 -13.961 1.00 24.53 H new ATOM 0 HB3 MET A 3 -0.817 -2.268 -13.262 1.00 24.53 H new ATOM 0 HG2 MET A 3 -2.200 -1.081 -14.944 1.00 4.10 H new ATOM 0 HG3 MET A 3 -2.604 -2.603 -15.712 1.00 4.10 H new ATOM 0 HE1 MET A 3 -4.155 -1.135 -11.564 1.00 44.24 H new ATOM 0 HE2 MET A 3 -2.448 -1.614 -11.724 1.00 44.24 H new ATOM 0 HE3 MET A 3 -3.080 -0.244 -12.667 1.00 44.24 H new ATOM 35 N ALA A 4 1.988 -2.450 -13.626 1.00 21.14 N ATOM 36 CA ALA A 4 3.122 -2.881 -12.825 1.00 44.44 C ATOM 37 C ALA A 4 3.190 -1.900 -11.655 1.00 42.43 C ATOM 38 O ALA A 4 2.556 -0.842 -11.708 1.00 11.41 O ATOM 39 CB ALA A 4 4.424 -2.829 -13.653 1.00 50.03 C ATOM 0 H ALA A 4 1.741 -1.469 -13.494 1.00 21.14 H new ATOM 0 HA ALA A 4 3.008 -3.910 -12.484 1.00 44.44 H new ATOM 0 HB1 ALA A 4 5.261 -3.155 -13.036 1.00 50.03 H new ATOM 0 HB2 ALA A 4 4.332 -3.487 -14.517 1.00 50.03 H new ATOM 0 HB3 ALA A 4 4.599 -1.808 -13.992 1.00 50.03 H new ATOM 45 N LYS A 5 3.993 -2.197 -10.649 1.00 33.44 N ATOM 46 CA LYS A 5 4.214 -1.253 -9.556 1.00 71.14 C ATOM 47 C LYS A 5 5.097 -0.132 -10.082 1.00 74.12 C ATOM 48 O LYS A 5 5.824 -0.297 -11.059 1.00 40.14 O ATOM 49 CB LYS A 5 4.910 -1.940 -8.372 1.00 32.22 C ATOM 50 CG LYS A 5 3.932 -2.457 -7.306 1.00 63.23 C ATOM 51 CD LYS A 5 3.230 -3.769 -7.690 1.00 41.41 C ATOM 52 CE LYS A 5 3.924 -5.003 -7.080 1.00 54.11 C ATOM 53 NZ LYS A 5 5.340 -5.157 -7.568 1.00 35.31 N ATOM 0 H LYS A 5 4.502 -3.077 -10.561 1.00 33.44 H new ATOM 0 HA LYS A 5 3.257 -0.866 -9.206 1.00 71.14 H new ATOM 0 HB2 LYS A 5 5.505 -2.774 -8.744 1.00 32.22 H new ATOM 0 HB3 LYS A 5 5.602 -1.237 -7.909 1.00 32.22 H new ATOM 0 HG2 LYS A 5 4.473 -2.606 -6.372 1.00 63.23 H new ATOM 0 HG3 LYS A 5 3.177 -1.694 -7.119 1.00 63.23 H new ATOM 0 HD2 LYS A 5 2.193 -3.735 -7.355 1.00 41.41 H new ATOM 0 HD3 LYS A 5 3.212 -3.865 -8.776 1.00 41.41 H new ATOM 0 HE2 LYS A 5 3.923 -4.918 -5.993 1.00 54.11 H new ATOM 0 HE3 LYS A 5 3.355 -5.899 -7.331 1.00 54.11 H new ATOM 0 HZ1 LYS A 5 5.653 -6.138 -7.421 1.00 35.31 H new ATOM 0 HZ2 LYS A 5 5.385 -4.927 -8.581 1.00 35.31 H new ATOM 0 HZ3 LYS A 5 5.962 -4.513 -7.039 1.00 35.31 H new ATOM 67 N ALA A 6 5.075 0.980 -9.374 1.00 53.53 N ATOM 68 CA ALA A 6 5.989 2.066 -9.653 1.00 33.04 C ATOM 69 C ALA A 6 7.350 1.595 -9.134 1.00 0.12 C ATOM 70 O ALA A 6 7.395 0.763 -8.231 1.00 44.51 O ATOM 71 CB ALA A 6 5.514 3.334 -8.926 1.00 43.03 C ATOM 0 H ALA A 6 4.433 1.154 -8.601 1.00 53.53 H new ATOM 0 HA ALA A 6 6.044 2.312 -10.713 1.00 33.04 H new ATOM 0 HB1 ALA A 6 6.202 4.153 -9.136 1.00 43.03 H new ATOM 0 HB2 ALA A 6 4.516 3.601 -9.274 1.00 43.03 H new ATOM 0 HB3 ALA A 6 5.487 3.149 -7.852 1.00 43.03 H new ATOM 77 N PRO A 7 8.462 2.095 -9.709 1.00 50.45 N ATOM 78 CA PRO A 7 9.730 1.623 -9.139 1.00 14.12 C ATOM 79 C PRO A 7 9.959 2.173 -7.723 1.00 34.01 C ATOM 80 O PRO A 7 9.664 3.335 -7.445 1.00 52.03 O ATOM 81 CB PRO A 7 10.772 2.153 -10.111 1.00 63.14 C ATOM 82 CG PRO A 7 10.151 3.379 -10.679 1.00 62.12 C ATOM 83 CD PRO A 7 8.682 3.054 -10.808 1.00 23.41 C ATOM 0 HA PRO A 7 9.761 0.539 -9.027 1.00 14.12 H new ATOM 0 HB2 PRO A 7 11.710 2.380 -9.604 1.00 63.14 H new ATOM 0 HB3 PRO A 7 10.998 1.424 -10.889 1.00 63.14 H new ATOM 0 HG2 PRO A 7 10.309 4.239 -10.027 1.00 62.12 H new ATOM 0 HG3 PRO A 7 10.586 3.629 -11.647 1.00 62.12 H new ATOM 0 HD2 PRO A 7 8.060 3.943 -10.700 1.00 23.41 H new ATOM 0 HD3 PRO A 7 8.448 2.617 -11.779 1.00 23.41 H new ATOM 91 N GLU A 8 10.472 1.331 -6.838 1.00 60.41 N ATOM 92 CA GLU A 8 10.744 1.739 -5.461 1.00 2.51 C ATOM 93 C GLU A 8 12.225 2.128 -5.348 1.00 43.21 C ATOM 94 O GLU A 8 12.567 3.279 -5.052 1.00 43.32 O ATOM 95 CB GLU A 8 10.415 0.591 -4.490 1.00 1.34 C ATOM 96 CG GLU A 8 8.924 0.232 -4.404 1.00 21.23 C ATOM 97 CD GLU A 8 8.064 1.320 -3.729 1.00 61.14 C ATOM 98 OE1 GLU A 8 8.619 2.133 -2.956 1.00 41.11 O ATOM 99 OE2 GLU A 8 6.827 1.311 -3.928 1.00 35.32 O ATOM 0 H GLU A 8 10.709 0.361 -7.045 1.00 60.41 H new ATOM 0 HA GLU A 8 10.119 2.593 -5.198 1.00 2.51 H new ATOM 0 HB2 GLU A 8 10.971 -0.295 -4.795 1.00 1.34 H new ATOM 0 HB3 GLU A 8 10.768 0.862 -3.495 1.00 1.34 H new ATOM 0 HG2 GLU A 8 8.544 0.052 -5.410 1.00 21.23 H new ATOM 0 HG3 GLU A 8 8.815 -0.701 -3.851 1.00 21.23 H new ATOM 106 N SER A 9 13.111 1.193 -5.631 1.00 23.43 N ATOM 107 CA SER A 9 14.543 1.474 -5.618 1.00 1.03 C ATOM 108 C SER A 9 14.904 2.183 -6.915 1.00 44.33 C ATOM 109 O SER A 9 14.375 1.856 -7.983 1.00 41.22 O ATOM 110 CB SER A 9 15.358 0.189 -5.468 1.00 45.02 C ATOM 111 OG SER A 9 14.958 -0.516 -4.313 1.00 15.02 O ATOM 0 H SER A 9 12.870 0.232 -5.873 1.00 23.43 H new ATOM 0 HA SER A 9 14.779 2.109 -4.764 1.00 1.03 H new ATOM 0 HB2 SER A 9 15.225 -0.439 -6.349 1.00 45.02 H new ATOM 0 HB3 SER A 9 16.419 0.429 -5.406 1.00 45.02 H new ATOM 0 HG SER A 9 15.487 -1.337 -4.231 1.00 15.02 H new ATOM 117 N ALA A 10 15.818 3.141 -6.847 1.00 14.01 N ATOM 118 CA ALA A 10 16.183 3.916 -8.021 1.00 72.32 C ATOM 119 C ALA A 10 16.718 3.049 -9.155 1.00 21.13 C ATOM 120 O ALA A 10 16.472 3.330 -10.314 1.00 74.42 O ATOM 121 CB ALA A 10 17.211 4.959 -7.652 1.00 3.41 C ATOM 0 H ALA A 10 16.317 3.398 -5.995 1.00 14.01 H new ATOM 0 HA ALA A 10 15.273 4.396 -8.381 1.00 72.32 H new ATOM 0 HB1 ALA A 10 17.479 5.535 -8.538 1.00 3.41 H new ATOM 0 HB2 ALA A 10 16.797 5.627 -6.896 1.00 3.41 H new ATOM 0 HB3 ALA A 10 18.100 4.469 -7.255 1.00 3.41 H new ATOM 127 N THR A 11 17.435 1.985 -8.825 1.00 61.22 N ATOM 128 CA THR A 11 18.008 1.106 -9.831 1.00 30.21 C ATOM 129 C THR A 11 16.951 0.358 -10.654 1.00 33.24 C ATOM 130 O THR A 11 17.201 -0.056 -11.767 1.00 2.43 O ATOM 131 CB THR A 11 18.878 0.052 -9.158 1.00 21.12 C ATOM 132 OG1 THR A 11 19.240 0.530 -7.858 1.00 43.24 O ATOM 133 CG2 THR A 11 20.144 -0.182 -9.944 1.00 1.23 C ATOM 0 H THR A 11 17.634 1.709 -7.863 1.00 61.22 H new ATOM 0 HA THR A 11 18.581 1.749 -10.499 1.00 30.21 H new ATOM 0 HB THR A 11 18.319 -0.882 -9.099 1.00 21.12 H new ATOM 0 HG1 THR A 11 19.800 -0.137 -7.408 1.00 43.24 H new ATOM 0 HG21 THR A 11 20.748 -0.938 -9.443 1.00 1.23 H new ATOM 0 HG22 THR A 11 19.891 -0.525 -10.947 1.00 1.23 H new ATOM 0 HG23 THR A 11 20.708 0.748 -10.010 1.00 1.23 H new ATOM 141 N GLU A 12 15.762 0.171 -10.101 1.00 54.30 N ATOM 142 CA GLU A 12 14.726 -0.576 -10.811 1.00 54.33 C ATOM 143 C GLU A 12 14.386 0.114 -12.118 1.00 10.24 C ATOM 144 O GLU A 12 14.177 -0.556 -13.117 1.00 2.03 O ATOM 145 CB GLU A 12 13.472 -0.668 -9.947 1.00 62.35 C ATOM 146 CG GLU A 12 13.709 -1.353 -8.626 1.00 33.31 C ATOM 147 CD GLU A 12 12.515 -1.334 -7.719 1.00 73.40 C ATOM 148 OE1 GLU A 12 11.373 -1.146 -8.182 1.00 12.44 O ATOM 149 OE2 GLU A 12 12.735 -1.469 -6.504 1.00 65.14 O ATOM 0 H GLU A 12 15.490 0.517 -9.181 1.00 54.30 H new ATOM 0 HA GLU A 12 15.099 -1.578 -11.022 1.00 54.33 H new ATOM 0 HB2 GLU A 12 13.090 0.336 -9.764 1.00 62.35 H new ATOM 0 HB3 GLU A 12 12.700 -1.208 -10.495 1.00 62.35 H new ATOM 0 HG2 GLU A 12 14.000 -2.387 -8.809 1.00 33.31 H new ATOM 0 HG3 GLU A 12 14.546 -0.871 -8.121 1.00 33.31 H new ATOM 156 N LYS A 13 14.400 1.459 -12.124 1.00 51.22 N ATOM 157 CA LYS A 13 14.078 2.209 -13.325 1.00 43.44 C ATOM 158 C LYS A 13 15.149 2.067 -14.390 1.00 21.52 C ATOM 159 O LYS A 13 14.865 2.200 -15.581 1.00 13.24 O ATOM 160 CB LYS A 13 13.833 3.665 -12.945 1.00 25.41 C ATOM 161 CG LYS A 13 15.075 4.569 -13.036 1.00 21.11 C ATOM 162 CD LYS A 13 14.861 5.929 -12.364 1.00 54.11 C ATOM 163 CE LYS A 13 13.922 6.835 -13.198 1.00 41.44 C ATOM 164 NZ LYS A 13 13.825 8.222 -12.602 1.00 52.34 N ATOM 0 H LYS A 13 14.630 2.033 -11.313 1.00 51.22 H new ATOM 0 HA LYS A 13 13.170 1.801 -13.768 1.00 43.44 H new ATOM 0 HB2 LYS A 13 13.057 4.070 -13.594 1.00 25.41 H new ATOM 0 HB3 LYS A 13 13.448 3.701 -11.926 1.00 25.41 H new ATOM 0 HG2 LYS A 13 15.922 4.066 -12.569 1.00 21.11 H new ATOM 0 HG3 LYS A 13 15.333 4.722 -14.084 1.00 21.11 H new ATOM 0 HD2 LYS A 13 14.438 5.782 -11.370 1.00 54.11 H new ATOM 0 HD3 LYS A 13 15.822 6.425 -12.231 1.00 54.11 H new ATOM 0 HE2 LYS A 13 14.292 6.902 -14.221 1.00 41.44 H new ATOM 0 HE3 LYS A 13 12.929 6.387 -13.246 1.00 41.44 H new ATOM 0 HZ1 LYS A 13 13.189 8.806 -13.182 1.00 52.34 H new ATOM 0 HZ2 LYS A 13 13.450 8.159 -11.634 1.00 52.34 H new ATOM 0 HZ3 LYS A 13 14.769 8.657 -12.579 1.00 52.34 H new ATOM 178 N VAL A 14 16.403 1.865 -14.002 1.00 31.22 N ATOM 179 CA VAL A 14 17.481 1.779 -14.979 1.00 10.32 C ATOM 180 C VAL A 14 17.441 0.373 -15.598 1.00 31.42 C ATOM 181 O VAL A 14 17.639 0.216 -16.798 1.00 14.23 O ATOM 182 CB VAL A 14 18.888 2.152 -14.373 1.00 61.45 C ATOM 183 CG1 VAL A 14 18.776 3.234 -13.297 1.00 63.54 C ATOM 184 CG2 VAL A 14 19.610 0.966 -13.748 1.00 20.21 C ATOM 0 H VAL A 14 16.696 1.759 -13.031 1.00 31.22 H new ATOM 0 HA VAL A 14 17.329 2.522 -15.762 1.00 10.32 H new ATOM 0 HB VAL A 14 19.463 2.513 -15.226 1.00 61.45 H new ATOM 0 HG11 VAL A 14 19.767 3.462 -12.905 1.00 63.54 H new ATOM 0 HG12 VAL A 14 18.341 4.135 -13.731 1.00 63.54 H new ATOM 0 HG13 VAL A 14 18.139 2.877 -12.487 1.00 63.54 H new ATOM 0 HG21 VAL A 14 20.571 1.293 -13.351 1.00 20.21 H new ATOM 0 HG22 VAL A 14 19.004 0.556 -12.940 1.00 20.21 H new ATOM 0 HG23 VAL A 14 19.773 0.199 -14.505 1.00 20.21 H new ATOM 194 N LEU A 15 17.101 -0.636 -14.809 1.00 53.21 N ATOM 195 CA LEU A 15 16.993 -2.009 -15.292 1.00 12.32 C ATOM 196 C LEU A 15 15.774 -2.083 -16.231 1.00 73.44 C ATOM 197 O LEU A 15 15.827 -2.728 -17.280 1.00 53.20 O ATOM 198 CB LEU A 15 16.794 -2.939 -14.092 1.00 64.24 C ATOM 199 CG LEU A 15 17.982 -2.988 -13.123 1.00 61.14 C ATOM 200 CD1 LEU A 15 17.507 -3.446 -11.796 1.00 30.43 C ATOM 201 CD2 LEU A 15 19.067 -3.886 -13.632 1.00 13.34 C ATOM 0 H LEU A 15 16.892 -0.528 -13.816 1.00 53.21 H new ATOM 0 HA LEU A 15 17.892 -2.312 -15.828 1.00 12.32 H new ATOM 0 HB2 LEU A 15 15.907 -2.620 -13.544 1.00 64.24 H new ATOM 0 HB3 LEU A 15 16.598 -3.947 -14.458 1.00 64.24 H new ATOM 0 HG LEU A 15 18.405 -1.987 -13.036 1.00 61.14 H new ATOM 0 HD11 LEU A 15 18.347 -3.483 -11.102 1.00 30.43 H new ATOM 0 HD12 LEU A 15 16.755 -2.752 -11.419 1.00 30.43 H new ATOM 0 HD13 LEU A 15 17.069 -4.440 -11.889 1.00 30.43 H new ATOM 0 HD21 LEU A 15 19.893 -3.897 -12.921 1.00 13.34 H new ATOM 0 HD22 LEU A 15 18.677 -4.897 -13.751 1.00 13.34 H new ATOM 0 HD23 LEU A 15 19.422 -3.518 -14.595 1.00 13.34 H new ATOM 213 N CYS A 16 14.707 -1.388 -15.857 1.00 73.24 N ATOM 214 CA CYS A 16 13.512 -1.299 -16.658 1.00 64.41 C ATOM 215 C CYS A 16 13.776 -0.692 -18.042 1.00 44.10 C ATOM 216 O CYS A 16 13.146 -1.089 -19.047 1.00 43.45 O ATOM 217 CB CYS A 16 12.525 -0.400 -15.850 1.00 5.12 C ATOM 218 SG CYS A 16 10.844 -0.442 -16.408 1.00 13.11 S ATOM 0 H CYS A 16 14.655 -0.869 -14.980 1.00 73.24 H new ATOM 0 HA CYS A 16 13.109 -2.294 -16.845 1.00 64.41 H new ATOM 0 HB2 CYS A 16 12.552 -0.706 -14.804 1.00 5.12 H new ATOM 0 HB3 CYS A 16 12.880 0.630 -15.890 1.00 5.12 H new ATOM 0 HG CYS A 16 10.120 0.339 -15.663 1.00 13.11 H new ATOM 224 N ALA A 17 14.660 0.280 -18.074 1.00 74.42 N ATOM 225 CA ALA A 17 15.003 0.913 -19.346 1.00 4.35 C ATOM 226 C ALA A 17 15.741 -0.043 -20.249 1.00 31.34 C ATOM 227 O ALA A 17 15.460 -0.159 -21.404 1.00 52.21 O ATOM 228 CB ALA A 17 15.887 2.194 -19.076 1.00 33.11 C ATOM 0 H ALA A 17 15.150 0.649 -17.259 1.00 74.42 H new ATOM 0 HA ALA A 17 14.080 1.203 -19.848 1.00 4.35 H new ATOM 0 HB1 ALA A 17 16.143 2.666 -20.025 1.00 33.11 H new ATOM 0 HB2 ALA A 17 15.328 2.898 -18.459 1.00 33.11 H new ATOM 0 HB3 ALA A 17 16.801 1.903 -18.558 1.00 33.11 H new ATOM 234 N LEU A 18 16.653 -0.730 -19.649 1.00 52.43 N ATOM 235 CA LEU A 18 17.480 -1.654 -20.340 1.00 60.33 C ATOM 236 C LEU A 18 16.665 -2.851 -20.933 1.00 75.14 C ATOM 237 O LEU A 18 16.894 -3.329 -22.054 1.00 52.15 O ATOM 238 CB LEU A 18 18.567 -2.205 -19.369 1.00 14.02 C ATOM 239 CG LEU A 18 20.011 -1.723 -19.497 1.00 72.33 C ATOM 240 CD1 LEU A 18 20.478 -1.249 -20.879 1.00 51.55 C ATOM 241 CD2 LEU A 18 20.293 -0.680 -18.474 1.00 72.34 C ATOM 0 H LEU A 18 16.846 -0.663 -18.650 1.00 52.43 H new ATOM 0 HA LEU A 18 17.942 -1.122 -21.172 1.00 60.33 H new ATOM 0 HB2 LEU A 18 18.239 -1.984 -18.353 1.00 14.02 H new ATOM 0 HB3 LEU A 18 18.576 -3.290 -19.472 1.00 14.02 H new ATOM 0 HG LEU A 18 20.598 -2.626 -19.328 1.00 72.33 H new ATOM 0 HD11 LEU A 18 21.521 -0.936 -20.823 1.00 51.55 H new ATOM 0 HD12 LEU A 18 20.382 -2.065 -21.595 1.00 51.55 H new ATOM 0 HD13 LEU A 18 19.864 -0.408 -21.202 1.00 51.55 H new ATOM 0 HD21 LEU A 18 21.325 -0.343 -18.573 1.00 72.34 H new ATOM 0 HD22 LEU A 18 19.619 0.164 -18.620 1.00 72.34 H new ATOM 0 HD23 LEU A 18 20.142 -1.097 -17.478 1.00 72.34 H new ATOM 253 N TYR A 19 15.640 -3.251 -20.210 1.00 22.23 N ATOM 254 CA TYR A 19 14.715 -4.288 -20.654 1.00 10.24 C ATOM 255 C TYR A 19 13.940 -3.767 -21.865 1.00 51.32 C ATOM 256 O TYR A 19 13.814 -4.451 -22.880 1.00 22.13 O ATOM 257 CB TYR A 19 13.711 -4.624 -19.551 1.00 11.53 C ATOM 258 CG TYR A 19 14.119 -5.725 -18.601 1.00 63.51 C ATOM 259 CD1 TYR A 19 15.432 -5.802 -18.070 1.00 71.41 C ATOM 260 CD2 TYR A 19 13.180 -6.691 -18.192 1.00 55.11 C ATOM 261 CE1 TYR A 19 15.781 -6.844 -17.164 1.00 42.14 C ATOM 262 CE2 TYR A 19 13.527 -7.719 -17.291 1.00 52.01 C ATOM 263 CZ TYR A 19 14.825 -7.794 -16.795 1.00 12.40 C ATOM 264 OH TYR A 19 15.167 -8.779 -15.929 1.00 30.43 O ATOM 0 H TYR A 19 15.419 -2.867 -19.291 1.00 22.23 H new ATOM 0 HA TYR A 19 15.284 -5.183 -20.906 1.00 10.24 H new ATOM 0 HB2 TYR A 19 13.523 -3.721 -18.970 1.00 11.53 H new ATOM 0 HB3 TYR A 19 12.767 -4.905 -20.019 1.00 11.53 H new ATOM 0 HD1 TYR A 19 16.171 -5.067 -18.354 1.00 71.41 H new ATOM 0 HD2 TYR A 19 12.172 -6.644 -18.577 1.00 55.11 H new ATOM 0 HE1 TYR A 19 16.782 -6.900 -16.763 1.00 42.14 H new ATOM 0 HE2 TYR A 19 12.788 -8.445 -16.987 1.00 52.01 H new ATOM 0 HH TYR A 19 14.366 -9.281 -15.672 1.00 30.43 H new ATOM 274 N ALA A 20 13.419 -2.550 -21.756 1.00 65.11 N ATOM 275 CA ALA A 20 12.584 -1.985 -22.818 1.00 25.21 C ATOM 276 C ALA A 20 13.352 -1.801 -24.143 1.00 12.40 C ATOM 277 O ALA A 20 12.810 -2.069 -25.215 1.00 32.35 O ATOM 278 CB ALA A 20 12.008 -0.630 -22.356 1.00 5.30 C ATOM 0 H ALA A 20 13.556 -1.938 -20.952 1.00 65.11 H new ATOM 0 HA ALA A 20 11.779 -2.694 -23.010 1.00 25.21 H new ATOM 0 HB1 ALA A 20 11.387 -0.210 -23.147 1.00 5.30 H new ATOM 0 HB2 ALA A 20 11.405 -0.778 -21.460 1.00 5.30 H new ATOM 0 HB3 ALA A 20 12.825 0.056 -22.134 1.00 5.30 H new ATOM 284 N GLU A 21 14.598 -1.345 -24.066 1.00 1.34 N ATOM 285 CA GLU A 21 15.413 -1.059 -25.251 1.00 63.05 C ATOM 286 C GLU A 21 15.697 -2.328 -26.028 1.00 50.13 C ATOM 287 O GLU A 21 15.636 -2.346 -27.258 1.00 45.02 O ATOM 288 CB GLU A 21 16.753 -0.440 -24.818 1.00 12.25 C ATOM 289 CG GLU A 21 16.686 1.051 -24.526 1.00 61.35 C ATOM 290 CD GLU A 21 16.579 1.874 -25.810 1.00 33.32 C ATOM 291 OE1 GLU A 21 17.422 1.686 -26.720 1.00 43.44 O ATOM 292 OE2 GLU A 21 15.654 2.696 -25.908 1.00 13.35 O ATOM 0 H GLU A 21 15.075 -1.162 -23.183 1.00 1.34 H new ATOM 0 HA GLU A 21 14.860 -0.366 -25.885 1.00 63.05 H new ATOM 0 HB2 GLU A 21 17.108 -0.958 -23.927 1.00 12.25 H new ATOM 0 HB3 GLU A 21 17.490 -0.612 -25.602 1.00 12.25 H new ATOM 0 HG2 GLU A 21 15.827 1.259 -23.888 1.00 61.35 H new ATOM 0 HG3 GLU A 21 17.575 1.354 -23.973 1.00 61.35 H new ATOM 299 N ILE A 22 16.057 -3.386 -25.313 1.00 44.04 N ATOM 300 CA ILE A 22 16.459 -4.641 -25.949 1.00 12.12 C ATOM 301 C ILE A 22 15.240 -5.329 -26.585 1.00 41.25 C ATOM 302 O ILE A 22 15.360 -5.942 -27.646 1.00 71.42 O ATOM 303 CB ILE A 22 17.182 -5.565 -24.947 1.00 2.44 C ATOM 304 CG1 ILE A 22 18.562 -4.945 -24.577 1.00 40.11 C ATOM 305 CG2 ILE A 22 17.419 -6.995 -25.552 1.00 61.22 C ATOM 306 CD1 ILE A 22 19.267 -5.595 -23.449 1.00 33.44 C ATOM 0 H ILE A 22 16.080 -3.404 -24.293 1.00 44.04 H new ATOM 0 HA ILE A 22 17.170 -4.417 -26.744 1.00 12.12 H new ATOM 0 HB ILE A 22 16.552 -5.661 -24.063 1.00 2.44 H new ATOM 0 HG12 ILE A 22 19.206 -4.982 -25.456 1.00 40.11 H new ATOM 0 HG13 ILE A 22 18.415 -3.893 -24.334 1.00 40.11 H new ATOM 0 HG21 ILE A 22 17.930 -7.620 -24.820 1.00 61.22 H new ATOM 0 HG22 ILE A 22 16.460 -7.446 -25.807 1.00 61.22 H new ATOM 0 HG23 ILE A 22 18.032 -6.913 -26.450 1.00 61.22 H new ATOM 0 HD11 ILE A 22 20.216 -5.088 -23.273 1.00 33.44 H new ATOM 0 HD12 ILE A 22 18.651 -5.535 -22.552 1.00 33.44 H new ATOM 0 HD13 ILE A 22 19.454 -6.641 -23.691 1.00 33.44 H new ATOM 318 N LEU A 23 14.073 -5.212 -25.961 1.00 24.11 N ATOM 319 CA LEU A 23 12.886 -5.877 -26.479 1.00 55.22 C ATOM 320 C LEU A 23 12.054 -4.998 -27.422 1.00 45.00 C ATOM 321 O LEU A 23 11.128 -5.477 -28.036 1.00 41.42 O ATOM 322 CB LEU A 23 12.065 -6.393 -25.293 1.00 33.13 C ATOM 323 CG LEU A 23 12.753 -7.646 -24.699 1.00 5.15 C ATOM 324 CD1 LEU A 23 12.522 -7.749 -23.212 1.00 31.44 C ATOM 325 CD2 LEU A 23 12.232 -8.903 -25.396 1.00 52.01 C ATOM 0 H LEU A 23 13.925 -4.671 -25.109 1.00 24.11 H new ATOM 0 HA LEU A 23 13.203 -6.714 -27.101 1.00 55.22 H new ATOM 0 HB2 LEU A 23 11.977 -5.617 -24.532 1.00 33.13 H new ATOM 0 HB3 LEU A 23 11.053 -6.639 -25.616 1.00 33.13 H new ATOM 0 HG LEU A 23 13.826 -7.553 -24.866 1.00 5.15 H new ATOM 0 HD11 LEU A 23 13.019 -8.640 -22.827 1.00 31.44 H new ATOM 0 HD12 LEU A 23 12.928 -6.866 -22.719 1.00 31.44 H new ATOM 0 HD13 LEU A 23 11.452 -7.816 -23.014 1.00 31.44 H new ATOM 0 HD21 LEU A 23 12.720 -9.782 -24.974 1.00 52.01 H new ATOM 0 HD22 LEU A 23 11.155 -8.980 -25.249 1.00 52.01 H new ATOM 0 HD23 LEU A 23 12.450 -8.844 -26.462 1.00 52.01 H new ATOM 337 N GLY A 24 12.431 -3.727 -27.560 1.00 60.51 N ATOM 338 CA GLY A 24 11.779 -2.836 -28.519 1.00 2.22 C ATOM 339 C GLY A 24 10.330 -2.525 -28.197 1.00 73.50 C ATOM 340 O GLY A 24 9.497 -2.429 -29.097 1.00 33.25 O ATOM 0 H GLY A 24 13.181 -3.293 -27.022 1.00 60.51 H new ATOM 0 HA2 GLY A 24 12.337 -1.901 -28.566 1.00 2.22 H new ATOM 0 HA3 GLY A 24 11.830 -3.288 -29.510 1.00 2.22 H new ATOM 344 N VAL A 25 10.030 -2.381 -26.921 1.00 72.30 N ATOM 345 CA VAL A 25 8.649 -2.180 -26.472 1.00 34.00 C ATOM 346 C VAL A 25 8.358 -0.704 -26.187 1.00 0.04 C ATOM 347 O VAL A 25 9.256 0.069 -25.851 1.00 22.14 O ATOM 348 CB VAL A 25 8.338 -3.035 -25.204 1.00 20.14 C ATOM 349 CG1 VAL A 25 8.715 -4.497 -25.450 1.00 1.21 C ATOM 350 CG2 VAL A 25 9.110 -2.541 -23.999 1.00 63.21 C ATOM 0 H VAL A 25 10.719 -2.398 -26.169 1.00 72.30 H new ATOM 0 HA VAL A 25 8.000 -2.507 -27.285 1.00 34.00 H new ATOM 0 HB VAL A 25 7.270 -2.944 -25.006 1.00 20.14 H new ATOM 0 HG11 VAL A 25 8.494 -5.085 -24.559 1.00 1.21 H new ATOM 0 HG12 VAL A 25 8.141 -4.884 -26.292 1.00 1.21 H new ATOM 0 HG13 VAL A 25 9.779 -4.565 -25.675 1.00 1.21 H new ATOM 0 HG21 VAL A 25 8.869 -3.159 -23.134 1.00 63.21 H new ATOM 0 HG22 VAL A 25 10.179 -2.602 -24.202 1.00 63.21 H new ATOM 0 HG23 VAL A 25 8.838 -1.506 -23.792 1.00 63.21 H new ATOM 360 N GLU A 26 7.093 -0.321 -26.299 1.00 60.44 N ATOM 361 CA GLU A 26 6.693 1.065 -26.022 1.00 11.54 C ATOM 362 C GLU A 26 6.880 1.423 -24.545 1.00 30.33 C ATOM 363 O GLU A 26 7.200 2.567 -24.182 1.00 73.20 O ATOM 364 CB GLU A 26 5.211 1.267 -26.352 1.00 44.13 C ATOM 365 CG GLU A 26 4.851 1.027 -27.809 1.00 64.31 C ATOM 366 CD GLU A 26 3.369 1.307 -28.082 1.00 65.20 C ATOM 367 OE1 GLU A 26 2.644 1.717 -27.147 1.00 5.14 O ATOM 368 OE2 GLU A 26 2.934 1.114 -29.227 1.00 33.42 O ATOM 0 H GLU A 26 6.329 -0.937 -26.576 1.00 60.44 H new ATOM 0 HA GLU A 26 7.325 1.702 -26.640 1.00 11.54 H new ATOM 0 HB2 GLU A 26 4.619 0.597 -25.729 1.00 44.13 H new ATOM 0 HB3 GLU A 26 4.928 2.285 -26.084 1.00 44.13 H new ATOM 0 HG2 GLU A 26 5.465 1.665 -28.445 1.00 64.31 H new ATOM 0 HG3 GLU A 26 5.081 -0.005 -28.075 1.00 64.31 H new ATOM 375 N ARG A 27 6.617 0.445 -23.682 1.00 42.24 N ATOM 376 CA ARG A 27 6.711 0.623 -22.238 1.00 70.31 C ATOM 377 C ARG A 27 6.897 -0.742 -21.619 1.00 64.25 C ATOM 378 O ARG A 27 6.344 -1.721 -22.116 1.00 23.43 O ATOM 379 CB ARG A 27 5.417 1.251 -21.721 1.00 53.30 C ATOM 380 CG ARG A 27 5.409 1.590 -20.223 1.00 31.32 C ATOM 381 CD ARG A 27 4.142 2.349 -19.863 1.00 42.33 C ATOM 382 NE ARG A 27 4.090 3.648 -20.552 1.00 52.33 N ATOM 383 CZ ARG A 27 2.992 4.357 -20.791 1.00 4.05 C ATOM 384 NH1 ARG A 27 1.798 3.952 -20.423 1.00 65.43 N ATOM 385 NH2 ARG A 27 3.096 5.498 -21.414 1.00 15.33 N ATOM 0 H ARG A 27 6.333 -0.493 -23.965 1.00 42.24 H new ATOM 0 HA ARG A 27 7.546 1.275 -21.981 1.00 70.31 H new ATOM 0 HB2 ARG A 27 5.224 2.164 -22.285 1.00 53.30 H new ATOM 0 HB3 ARG A 27 4.593 0.568 -21.927 1.00 53.30 H new ATOM 0 HG2 ARG A 27 5.472 0.674 -19.635 1.00 31.32 H new ATOM 0 HG3 ARG A 27 6.284 2.190 -19.974 1.00 31.32 H new ATOM 0 HD2 ARG A 27 3.269 1.755 -20.134 1.00 42.33 H new ATOM 0 HD3 ARG A 27 4.101 2.504 -18.785 1.00 42.33 H new ATOM 0 HE ARG A 27 4.975 4.039 -20.875 1.00 52.33 H new ATOM 0 HH11 ARG A 27 1.689 3.063 -19.935 1.00 65.43 H new ATOM 0 HH12 ARG A 27 0.980 4.526 -20.626 1.00 65.43 H new ATOM 0 HH21 ARG A 27 4.012 5.835 -21.711 1.00 15.33 H new ATOM 0 HH22 ARG A 27 2.262 6.053 -21.604 1.00 15.33 H new ATOM 399 N VAL A 28 7.643 -0.794 -20.529 1.00 43.24 N ATOM 400 CA VAL A 28 7.845 -2.030 -19.794 1.00 43.21 C ATOM 401 C VAL A 28 7.754 -1.637 -18.321 1.00 52.43 C ATOM 402 O VAL A 28 7.995 -0.466 -17.987 1.00 62.21 O ATOM 403 CB VAL A 28 9.208 -2.680 -20.183 1.00 33.33 C ATOM 404 CG1 VAL A 28 10.290 -2.511 -19.117 1.00 63.12 C ATOM 405 CG2 VAL A 28 9.036 -4.138 -20.478 1.00 44.23 C ATOM 0 H VAL A 28 8.123 0.013 -20.131 1.00 43.24 H new ATOM 0 HA VAL A 28 7.101 -2.792 -20.024 1.00 43.21 H new ATOM 0 HB VAL A 28 9.542 -2.149 -21.075 1.00 33.33 H new ATOM 0 HG11 VAL A 28 11.211 -2.987 -19.454 1.00 63.12 H new ATOM 0 HG12 VAL A 28 10.471 -1.450 -18.948 1.00 63.12 H new ATOM 0 HG13 VAL A 28 9.961 -2.976 -18.188 1.00 63.12 H new ATOM 0 HG21 VAL A 28 9.999 -4.571 -20.747 1.00 44.23 H new ATOM 0 HG22 VAL A 28 8.645 -4.644 -19.596 1.00 44.23 H new ATOM 0 HG23 VAL A 28 8.339 -4.262 -21.306 1.00 44.23 H new ATOM 415 N GLY A 29 7.342 -2.572 -17.482 1.00 52.44 N ATOM 416 CA GLY A 29 7.225 -2.323 -16.057 1.00 53.12 C ATOM 417 C GLY A 29 8.271 -3.080 -15.267 1.00 22.14 C ATOM 418 O GLY A 29 8.919 -3.988 -15.770 1.00 71.24 O ATOM 0 H GLY A 29 7.082 -3.516 -17.766 1.00 52.44 H new ATOM 0 HA2 GLY A 29 7.327 -1.255 -15.865 1.00 53.12 H new ATOM 0 HA3 GLY A 29 6.231 -2.615 -15.717 1.00 53.12 H new ATOM 422 N VAL A 30 8.431 -2.736 -13.993 1.00 33.04 N ATOM 423 CA VAL A 30 9.441 -3.404 -13.135 1.00 14.13 C ATOM 424 C VAL A 30 9.021 -4.815 -12.699 1.00 51.21 C ATOM 425 O VAL A 30 9.826 -5.546 -12.103 1.00 13.34 O ATOM 426 CB VAL A 30 9.776 -2.551 -11.859 1.00 72.12 C ATOM 427 CG1 VAL A 30 10.332 -1.199 -12.274 1.00 45.53 C ATOM 428 CG2 VAL A 30 8.524 -2.349 -10.979 1.00 63.23 C ATOM 0 H VAL A 30 7.889 -2.010 -13.524 1.00 33.04 H new ATOM 0 HA VAL A 30 10.331 -3.493 -13.758 1.00 14.13 H new ATOM 0 HB VAL A 30 10.521 -3.092 -11.276 1.00 72.12 H new ATOM 0 HG11 VAL A 30 10.562 -0.612 -11.385 1.00 45.53 H new ATOM 0 HG12 VAL A 30 11.240 -1.343 -12.859 1.00 45.53 H new ATOM 0 HG13 VAL A 30 9.593 -0.671 -12.876 1.00 45.53 H new ATOM 0 HG21 VAL A 30 8.787 -1.755 -10.103 1.00 63.23 H new ATOM 0 HG22 VAL A 30 7.756 -1.830 -11.553 1.00 63.23 H new ATOM 0 HG23 VAL A 30 8.144 -3.319 -10.659 1.00 63.23 H new ATOM 438 N ASP A 31 7.796 -5.191 -13.007 1.00 63.21 N ATOM 439 CA ASP A 31 7.262 -6.517 -12.691 1.00 63.01 C ATOM 440 C ASP A 31 7.251 -7.393 -13.947 1.00 24.34 C ATOM 441 O ASP A 31 6.836 -8.543 -13.897 1.00 10.15 O ATOM 442 CB ASP A 31 5.832 -6.392 -12.148 1.00 1.22 C ATOM 443 CG ASP A 31 5.791 -5.832 -10.741 1.00 43.45 C ATOM 444 OD1 ASP A 31 6.509 -6.340 -9.856 1.00 0.32 O ATOM 445 OD2 ASP A 31 4.996 -4.893 -10.502 1.00 1.01 O ATOM 0 H ASP A 31 7.131 -4.585 -13.488 1.00 63.21 H new ATOM 0 HA ASP A 31 7.898 -6.977 -11.935 1.00 63.01 H new ATOM 0 HB2 ASP A 31 5.251 -5.748 -12.809 1.00 1.22 H new ATOM 0 HB3 ASP A 31 5.356 -7.372 -12.159 1.00 1.22 H new ATOM 450 N ASP A 32 7.680 -6.837 -15.070 1.00 41.30 N ATOM 451 CA ASP A 32 7.662 -7.584 -16.334 1.00 42.03 C ATOM 452 C ASP A 32 8.875 -8.486 -16.372 1.00 32.10 C ATOM 453 O ASP A 32 10.016 -8.041 -16.310 1.00 5.43 O ATOM 454 CB ASP A 32 7.698 -6.638 -17.542 1.00 50.13 C ATOM 455 CG ASP A 32 6.396 -5.895 -17.741 1.00 73.43 C ATOM 456 OD1 ASP A 32 5.386 -6.232 -17.099 1.00 74.22 O ATOM 457 OD2 ASP A 32 6.367 -4.978 -18.586 1.00 2.42 O ATOM 0 H ASP A 32 8.041 -5.886 -15.140 1.00 41.30 H new ATOM 0 HA ASP A 32 6.741 -8.165 -16.387 1.00 42.03 H new ATOM 0 HB2 ASP A 32 8.506 -5.918 -17.410 1.00 50.13 H new ATOM 0 HB3 ASP A 32 7.925 -7.211 -18.441 1.00 50.13 H new ATOM 462 N ALA A 33 8.626 -9.784 -16.442 1.00 34.11 N ATOM 463 CA ALA A 33 9.699 -10.749 -16.477 1.00 2.52 C ATOM 464 C ALA A 33 10.312 -10.693 -17.872 1.00 72.44 C ATOM 465 O ALA A 33 9.575 -10.618 -18.853 1.00 43.34 O ATOM 466 CB ALA A 33 9.154 -12.140 -16.173 1.00 12.05 C ATOM 0 H ALA A 33 7.690 -10.187 -16.475 1.00 34.11 H new ATOM 0 HA ALA A 33 10.457 -10.524 -15.727 1.00 2.52 H new ATOM 0 HB1 ALA A 33 9.968 -12.864 -16.201 1.00 12.05 H new ATOM 0 HB2 ALA A 33 8.699 -12.144 -15.183 1.00 12.05 H new ATOM 0 HB3 ALA A 33 8.405 -12.408 -16.918 1.00 12.05 H new ATOM 472 N PHE A 34 11.630 -10.797 -17.969 1.00 52.53 N ATOM 473 CA PHE A 34 12.305 -10.775 -19.268 1.00 20.11 C ATOM 474 C PHE A 34 11.756 -11.916 -20.157 1.00 23.30 C ATOM 475 O PHE A 34 11.670 -11.809 -21.380 1.00 44.11 O ATOM 476 CB PHE A 34 13.804 -10.930 -19.041 1.00 30.00 C ATOM 477 CG PHE A 34 14.633 -10.516 -20.236 1.00 74.34 C ATOM 478 CD1 PHE A 34 14.999 -9.173 -20.432 1.00 23.44 C ATOM 479 CD2 PHE A 34 15.069 -11.485 -21.179 1.00 1.35 C ATOM 480 CE1 PHE A 34 15.789 -8.774 -21.506 1.00 15.15 C ATOM 481 CE2 PHE A 34 15.865 -11.099 -22.275 1.00 60.21 C ATOM 482 CZ PHE A 34 16.250 -9.722 -22.439 1.00 31.14 C ATOM 0 H PHE A 34 12.255 -10.897 -17.169 1.00 52.53 H new ATOM 0 HA PHE A 34 12.119 -9.830 -19.779 1.00 20.11 H new ATOM 0 HB2 PHE A 34 14.098 -10.332 -18.178 1.00 30.00 H new ATOM 0 HB3 PHE A 34 14.023 -11.970 -18.798 1.00 30.00 H new ATOM 0 HD1 PHE A 34 14.657 -8.429 -19.728 1.00 23.44 H new ATOM 0 HD2 PHE A 34 14.789 -12.521 -21.055 1.00 1.35 H new ATOM 0 HE1 PHE A 34 16.050 -7.733 -21.624 1.00 15.15 H new ATOM 0 HE2 PHE A 34 16.187 -11.838 -22.994 1.00 60.21 H new ATOM 0 HZ PHE A 34 16.881 -9.422 -23.263 1.00 31.14 H new ATOM 492 N HIS A 35 11.298 -12.982 -19.505 1.00 5.23 N ATOM 493 CA HIS A 35 10.677 -14.111 -20.198 1.00 65.21 C ATOM 494 C HIS A 35 9.217 -13.885 -20.604 1.00 53.52 C ATOM 495 O HIS A 35 8.787 -14.429 -21.608 1.00 51.54 O ATOM 496 CB HIS A 35 10.775 -15.344 -19.302 1.00 11.14 C ATOM 497 CG HIS A 35 12.187 -15.721 -18.979 1.00 63.11 C ATOM 498 ND1 HIS A 35 13.070 -16.264 -19.874 1.00 14.13 N ATOM 499 CD2 HIS A 35 12.894 -15.590 -17.825 1.00 34.15 C ATOM 500 CE1 HIS A 35 14.227 -16.453 -19.255 1.00 1.21 C ATOM 501 NE2 HIS A 35 14.177 -16.063 -17.992 1.00 2.51 N ATOM 0 H HIS A 35 11.345 -13.089 -18.492 1.00 5.23 H new ATOM 0 HA HIS A 35 11.223 -14.242 -21.132 1.00 65.21 H new ATOM 0 HB2 HIS A 35 10.234 -15.157 -18.375 1.00 11.14 H new ATOM 0 HB3 HIS A 35 10.284 -16.184 -19.794 1.00 11.14 H new ATOM 0 HD2 HIS A 35 12.505 -15.174 -16.907 1.00 34.15 H new ATOM 0 HE1 HIS A 35 15.104 -16.874 -19.725 1.00 1.21 H new ATOM 0 HE2 HIS A 35 14.922 -16.103 -17.297 1.00 2.51 H new ATOM 509 N ASP A 36 8.464 -13.082 -19.856 1.00 64.24 N ATOM 510 CA ASP A 36 7.067 -12.796 -20.184 1.00 53.11 C ATOM 511 C ASP A 36 7.028 -11.925 -21.426 1.00 2.13 C ATOM 512 O ASP A 36 6.122 -11.999 -22.233 1.00 52.43 O ATOM 513 CB ASP A 36 6.400 -12.043 -19.024 1.00 21.55 C ATOM 514 CG ASP A 36 4.899 -11.882 -19.222 1.00 12.31 C ATOM 515 OD1 ASP A 36 4.207 -12.911 -19.361 1.00 30.22 O ATOM 516 OD2 ASP A 36 4.403 -10.735 -19.144 1.00 35.52 O ATOM 0 H ASP A 36 8.799 -12.615 -19.014 1.00 64.24 H new ATOM 0 HA ASP A 36 6.535 -13.731 -20.357 1.00 53.11 H new ATOM 0 HB2 ASP A 36 6.585 -12.578 -18.093 1.00 21.55 H new ATOM 0 HB3 ASP A 36 6.858 -11.059 -18.922 1.00 21.55 H new ATOM 521 N LEU A 37 8.070 -11.138 -21.584 1.00 44.23 N ATOM 522 CA LEU A 37 8.210 -10.235 -22.725 1.00 15.42 C ATOM 523 C LEU A 37 8.694 -10.938 -23.995 1.00 44.31 C ATOM 524 O LEU A 37 8.933 -10.292 -25.015 1.00 2.43 O ATOM 525 CB LEU A 37 9.215 -9.144 -22.343 1.00 13.13 C ATOM 526 CG LEU A 37 8.827 -8.270 -21.140 1.00 52.40 C ATOM 527 CD1 LEU A 37 10.036 -7.452 -20.673 1.00 23.13 C ATOM 528 CD2 LEU A 37 7.656 -7.356 -21.500 1.00 11.54 C ATOM 0 H LEU A 37 8.850 -11.100 -20.928 1.00 44.23 H new ATOM 0 HA LEU A 37 7.225 -9.825 -22.950 1.00 15.42 H new ATOM 0 HB2 LEU A 37 10.173 -9.617 -22.130 1.00 13.13 H new ATOM 0 HB3 LEU A 37 9.365 -8.496 -23.206 1.00 13.13 H new ATOM 0 HG LEU A 37 8.511 -8.916 -20.321 1.00 52.40 H new ATOM 0 HD11 LEU A 37 9.751 -6.836 -19.820 1.00 23.13 H new ATOM 0 HD12 LEU A 37 10.841 -8.127 -20.381 1.00 23.13 H new ATOM 0 HD13 LEU A 37 10.377 -6.811 -21.486 1.00 23.13 H new ATOM 0 HD21 LEU A 37 7.394 -6.744 -20.637 1.00 11.54 H new ATOM 0 HD22 LEU A 37 7.941 -6.710 -22.330 1.00 11.54 H new ATOM 0 HD23 LEU A 37 6.797 -7.962 -21.790 1.00 11.54 H new ATOM 540 N GLY A 38 8.850 -12.254 -23.934 1.00 15.00 N ATOM 541 CA GLY A 38 9.298 -13.017 -25.101 1.00 14.11 C ATOM 542 C GLY A 38 10.813 -13.047 -25.272 1.00 13.24 C ATOM 543 O GLY A 38 11.332 -13.370 -26.334 1.00 62.01 O ATOM 0 H GLY A 38 8.676 -12.815 -23.100 1.00 15.00 H new ATOM 0 HA2 GLY A 38 8.931 -14.040 -25.017 1.00 14.11 H new ATOM 0 HA3 GLY A 38 8.849 -12.589 -25.997 1.00 14.11 H new ATOM 547 N GLY A 39 11.526 -12.696 -24.220 1.00 34.05 N ATOM 548 CA GLY A 39 12.976 -12.691 -24.264 1.00 2.43 C ATOM 549 C GLY A 39 13.565 -14.091 -24.306 1.00 41.40 C ATOM 550 O GLY A 39 12.941 -15.076 -23.914 1.00 32.02 O ATOM 0 H GLY A 39 11.127 -12.411 -23.326 1.00 34.05 H new ATOM 0 HA2 GLY A 39 13.307 -12.135 -25.141 1.00 2.43 H new ATOM 0 HA3 GLY A 39 13.360 -12.165 -23.390 1.00 2.43 H new ATOM 554 N SER A 40 14.802 -14.177 -24.774 1.00 50.21 N ATOM 555 CA SER A 40 15.503 -15.459 -24.922 1.00 71.44 C ATOM 556 C SER A 40 16.871 -15.378 -24.273 1.00 34.22 C ATOM 557 O SER A 40 17.322 -14.292 -23.942 1.00 24.12 O ATOM 558 CB SER A 40 15.703 -15.751 -26.400 1.00 32.13 C ATOM 559 OG SER A 40 15.718 -14.535 -27.112 1.00 40.12 O ATOM 0 H SER A 40 15.352 -13.368 -25.063 1.00 50.21 H new ATOM 0 HA SER A 40 14.910 -16.242 -24.449 1.00 71.44 H new ATOM 0 HB2 SER A 40 16.639 -16.288 -26.554 1.00 32.13 H new ATOM 0 HB3 SER A 40 14.903 -16.393 -26.768 1.00 32.13 H new ATOM 0 HG SER A 40 15.848 -14.716 -28.066 1.00 40.12 H new ATOM 565 N SER A 41 17.547 -16.513 -24.135 1.00 1.53 N ATOM 566 CA SER A 41 18.895 -16.549 -23.546 1.00 73.30 C ATOM 567 C SER A 41 19.889 -15.668 -24.308 1.00 11.03 C ATOM 568 O SER A 41 20.740 -15.018 -23.704 1.00 10.11 O ATOM 569 CB SER A 41 19.409 -17.983 -23.516 1.00 23.20 C ATOM 570 OG SER A 41 19.267 -18.596 -24.790 1.00 72.13 O ATOM 0 H SER A 41 17.190 -17.425 -24.421 1.00 1.53 H new ATOM 0 HA SER A 41 18.814 -16.155 -22.533 1.00 73.30 H new ATOM 0 HB2 SER A 41 20.457 -17.992 -23.218 1.00 23.20 H new ATOM 0 HB3 SER A 41 18.860 -18.556 -22.769 1.00 23.20 H new ATOM 0 HG SER A 41 19.604 -19.515 -24.750 1.00 72.13 H new ATOM 576 N ALA A 42 19.753 -15.605 -25.630 1.00 4.10 N ATOM 577 CA ALA A 42 20.631 -14.774 -26.458 1.00 74.54 C ATOM 578 C ALA A 42 20.442 -13.289 -26.093 1.00 52.21 C ATOM 579 O ALA A 42 21.411 -12.535 -25.932 1.00 31.23 O ATOM 580 CB ALA A 42 20.323 -15.016 -27.957 1.00 4.24 C ATOM 0 H ALA A 42 19.044 -16.118 -26.153 1.00 4.10 H new ATOM 0 HA ALA A 42 21.670 -15.045 -26.271 1.00 74.54 H new ATOM 0 HB1 ALA A 42 20.979 -14.396 -28.568 1.00 4.24 H new ATOM 0 HB2 ALA A 42 20.489 -16.066 -28.198 1.00 4.24 H new ATOM 0 HB3 ALA A 42 19.284 -14.757 -28.161 1.00 4.24 H new ATOM 586 N LEU A 43 19.191 -12.892 -25.924 1.00 51.11 N ATOM 587 CA LEU A 43 18.880 -11.524 -25.552 1.00 63.21 C ATOM 588 C LEU A 43 19.270 -11.281 -24.091 1.00 42.44 C ATOM 589 O LEU A 43 19.689 -10.189 -23.740 1.00 75.45 O ATOM 590 CB LEU A 43 17.387 -11.247 -25.760 1.00 25.30 C ATOM 591 CG LEU A 43 16.973 -10.662 -27.111 1.00 15.11 C ATOM 592 CD1 LEU A 43 17.259 -11.588 -28.295 1.00 24.24 C ATOM 593 CD2 LEU A 43 15.507 -10.323 -27.087 1.00 10.11 C ATOM 0 H LEU A 43 18.378 -13.497 -26.038 1.00 51.11 H new ATOM 0 HA LEU A 43 19.450 -10.844 -26.185 1.00 63.21 H new ATOM 0 HB2 LEU A 43 16.845 -12.182 -25.615 1.00 25.30 H new ATOM 0 HB3 LEU A 43 17.057 -10.563 -24.979 1.00 25.30 H new ATOM 0 HG LEU A 43 17.579 -9.768 -27.258 1.00 15.11 H new ATOM 0 HD11 LEU A 43 16.939 -11.106 -29.219 1.00 24.24 H new ATOM 0 HD12 LEU A 43 18.328 -11.795 -28.345 1.00 24.24 H new ATOM 0 HD13 LEU A 43 16.714 -12.523 -28.166 1.00 24.24 H new ATOM 0 HD21 LEU A 43 15.214 -9.906 -28.051 1.00 10.11 H new ATOM 0 HD22 LEU A 43 14.928 -11.225 -26.891 1.00 10.11 H new ATOM 0 HD23 LEU A 43 15.316 -9.591 -26.302 1.00 10.11 H new ATOM 605 N ALA A 44 19.154 -12.303 -23.255 1.00 74.22 N ATOM 606 CA ALA A 44 19.540 -12.169 -21.855 1.00 5.21 C ATOM 607 C ALA A 44 21.039 -11.929 -21.721 1.00 24.04 C ATOM 608 O ALA A 44 21.476 -11.125 -20.914 1.00 22.11 O ATOM 609 CB ALA A 44 19.104 -13.394 -21.048 1.00 33.21 C ATOM 0 H ALA A 44 18.801 -13.224 -23.516 1.00 74.22 H new ATOM 0 HA ALA A 44 19.026 -11.299 -21.447 1.00 5.21 H new ATOM 0 HB1 ALA A 44 19.403 -13.270 -20.007 1.00 33.21 H new ATOM 0 HB2 ALA A 44 18.021 -13.500 -21.104 1.00 33.21 H new ATOM 0 HB3 ALA A 44 19.577 -14.287 -21.457 1.00 33.21 H new ATOM 615 N MET A 45 21.842 -12.570 -22.542 1.00 51.24 N ATOM 616 CA MET A 45 23.287 -12.317 -22.518 1.00 54.15 C ATOM 617 C MET A 45 23.582 -10.878 -22.959 1.00 4.23 C ATOM 618 O MET A 45 24.453 -10.218 -22.397 1.00 24.44 O ATOM 619 CB MET A 45 24.046 -13.291 -23.436 1.00 62.11 C ATOM 620 CG MET A 45 24.108 -14.719 -22.915 1.00 62.03 C ATOM 621 SD MET A 45 25.096 -14.821 -21.411 1.00 32.33 S ATOM 622 CE MET A 45 24.880 -16.511 -20.944 1.00 63.03 C ATOM 0 H MET A 45 21.537 -13.261 -23.228 1.00 51.24 H new ATOM 0 HA MET A 45 23.627 -12.468 -21.494 1.00 54.15 H new ATOM 0 HB2 MET A 45 23.570 -13.294 -24.416 1.00 62.11 H new ATOM 0 HB3 MET A 45 25.062 -12.923 -23.576 1.00 62.11 H new ATOM 0 HG2 MET A 45 23.099 -15.080 -22.716 1.00 62.03 H new ATOM 0 HG3 MET A 45 24.535 -15.369 -23.679 1.00 62.03 H new ATOM 0 HE1 MET A 45 25.438 -16.710 -20.029 1.00 63.03 H new ATOM 0 HE2 MET A 45 23.822 -16.709 -20.774 1.00 63.03 H new ATOM 0 HE3 MET A 45 25.247 -17.158 -21.741 1.00 63.03 H new ATOM 632 N ARG A 46 22.821 -10.365 -23.915 1.00 31.35 N ATOM 633 CA ARG A 46 22.969 -8.963 -24.317 1.00 11.21 C ATOM 634 C ARG A 46 22.552 -8.045 -23.179 1.00 40.21 C ATOM 635 O ARG A 46 23.159 -7.006 -22.980 1.00 51.21 O ATOM 636 CB ARG A 46 22.124 -8.633 -25.554 1.00 43.21 C ATOM 637 CG ARG A 46 22.596 -9.297 -26.835 1.00 75.33 C ATOM 638 CD ARG A 46 21.650 -8.922 -27.973 1.00 41.41 C ATOM 639 NE ARG A 46 22.119 -9.428 -29.270 1.00 65.20 N ATOM 640 CZ ARG A 46 21.508 -9.237 -30.436 1.00 65.31 C ATOM 641 NH1 ARG A 46 20.371 -8.583 -30.540 1.00 43.35 N ATOM 642 NH2 ARG A 46 22.039 -9.716 -31.534 1.00 41.13 N ATOM 0 H ARG A 46 22.105 -10.884 -24.423 1.00 31.35 H new ATOM 0 HA ARG A 46 24.020 -8.807 -24.562 1.00 11.21 H new ATOM 0 HB2 ARG A 46 21.093 -8.931 -25.364 1.00 43.21 H new ATOM 0 HB3 ARG A 46 22.122 -7.553 -25.699 1.00 43.21 H new ATOM 0 HG2 ARG A 46 23.612 -8.979 -27.071 1.00 75.33 H new ATOM 0 HG3 ARG A 46 22.622 -10.379 -26.709 1.00 75.33 H new ATOM 0 HD2 ARG A 46 20.657 -9.322 -27.766 1.00 41.41 H new ATOM 0 HD3 ARG A 46 21.553 -7.837 -28.021 1.00 41.41 H new ATOM 0 HE ARG A 46 22.983 -9.970 -29.277 1.00 65.20 H new ATOM 0 HH11 ARG A 46 19.925 -8.200 -29.707 1.00 43.35 H new ATOM 0 HH12 ARG A 46 19.936 -8.459 -31.454 1.00 43.35 H new ATOM 0 HH21 ARG A 46 22.917 -10.233 -31.492 1.00 41.13 H new ATOM 0 HH22 ARG A 46 21.574 -9.572 -32.430 1.00 41.13 H new ATOM 656 N LEU A 47 21.536 -8.446 -22.434 1.00 12.15 N ATOM 657 CA LEU A 47 21.045 -7.682 -21.287 1.00 71.42 C ATOM 658 C LEU A 47 22.151 -7.572 -20.231 1.00 44.54 C ATOM 659 O LEU A 47 22.382 -6.485 -19.709 1.00 11.24 O ATOM 660 CB LEU A 47 19.760 -8.364 -20.769 1.00 74.12 C ATOM 661 CG LEU A 47 18.913 -7.831 -19.599 1.00 22.54 C ATOM 662 CD1 LEU A 47 19.423 -8.357 -18.291 1.00 75.23 C ATOM 663 CD2 LEU A 47 18.859 -6.319 -19.539 1.00 5.43 C ATOM 0 H LEU A 47 21.024 -9.312 -22.603 1.00 12.15 H new ATOM 0 HA LEU A 47 20.787 -6.659 -21.562 1.00 71.42 H new ATOM 0 HB2 LEU A 47 19.087 -8.435 -21.624 1.00 74.12 H new ATOM 0 HB3 LEU A 47 20.043 -9.382 -20.501 1.00 74.12 H new ATOM 0 HG LEU A 47 17.899 -8.189 -19.779 1.00 22.54 H new ATOM 0 HD11 LEU A 47 18.810 -7.968 -17.478 1.00 75.23 H new ATOM 0 HD12 LEU A 47 19.374 -9.446 -18.293 1.00 75.23 H new ATOM 0 HD13 LEU A 47 20.456 -8.040 -18.150 1.00 75.23 H new ATOM 0 HD21 LEU A 47 18.246 -6.010 -18.692 1.00 5.43 H new ATOM 0 HD22 LEU A 47 19.868 -5.923 -19.421 1.00 5.43 H new ATOM 0 HD23 LEU A 47 18.424 -5.934 -20.461 1.00 5.43 H new ATOM 675 N ILE A 48 22.885 -8.644 -19.977 1.00 13.21 N ATOM 676 CA ILE A 48 23.990 -8.579 -19.010 1.00 32.11 C ATOM 677 C ILE A 48 25.046 -7.609 -19.539 1.00 60.20 C ATOM 678 O ILE A 48 25.551 -6.764 -18.807 1.00 43.32 O ATOM 679 CB ILE A 48 24.685 -9.970 -18.768 1.00 72.24 C ATOM 680 CG1 ILE A 48 23.637 -11.012 -18.329 1.00 31.24 C ATOM 681 CG2 ILE A 48 25.797 -9.844 -17.670 1.00 21.52 C ATOM 682 CD1 ILE A 48 24.194 -12.428 -18.126 1.00 15.34 C ATOM 0 H ILE A 48 22.747 -9.556 -20.412 1.00 13.21 H new ATOM 0 HA ILE A 48 23.565 -8.252 -18.061 1.00 32.11 H new ATOM 0 HB ILE A 48 25.147 -10.294 -19.701 1.00 72.24 H new ATOM 0 HG12 ILE A 48 23.179 -10.678 -17.398 1.00 31.24 H new ATOM 0 HG13 ILE A 48 22.846 -11.050 -19.077 1.00 31.24 H new ATOM 0 HG21 ILE A 48 26.267 -10.815 -17.515 1.00 21.52 H new ATOM 0 HG22 ILE A 48 26.549 -9.124 -17.994 1.00 21.52 H new ATOM 0 HG23 ILE A 48 25.349 -9.505 -16.736 1.00 21.52 H new ATOM 0 HD11 ILE A 48 23.389 -13.095 -17.818 1.00 15.34 H new ATOM 0 HD12 ILE A 48 24.625 -12.787 -19.061 1.00 15.34 H new ATOM 0 HD13 ILE A 48 24.964 -12.409 -17.355 1.00 15.34 H new ATOM 694 N ALA A 49 25.373 -7.723 -20.818 1.00 23.51 N ATOM 695 CA ALA A 49 26.411 -6.882 -21.415 1.00 52.31 C ATOM 696 C ALA A 49 26.052 -5.384 -21.336 1.00 3.03 C ATOM 697 O ALA A 49 26.878 -4.569 -20.968 1.00 13.41 O ATOM 698 CB ALA A 49 26.658 -7.300 -22.863 1.00 71.24 C ATOM 0 H ALA A 49 24.940 -8.384 -21.463 1.00 23.51 H new ATOM 0 HA ALA A 49 27.327 -7.026 -20.841 1.00 52.31 H new ATOM 0 HB1 ALA A 49 27.432 -6.667 -23.297 1.00 71.24 H new ATOM 0 HB2 ALA A 49 26.981 -8.341 -22.891 1.00 71.24 H new ATOM 0 HB3 ALA A 49 25.737 -7.191 -23.435 1.00 71.24 H new ATOM 704 N ARG A 50 24.824 -5.032 -21.677 1.00 1.43 N ATOM 705 CA ARG A 50 24.395 -3.631 -21.634 1.00 55.41 C ATOM 706 C ARG A 50 24.393 -3.110 -20.197 1.00 65.13 C ATOM 707 O ARG A 50 24.836 -2.005 -19.926 1.00 72.13 O ATOM 708 CB ARG A 50 22.991 -3.484 -22.224 1.00 20.42 C ATOM 709 CG ARG A 50 22.900 -3.667 -23.726 1.00 44.31 C ATOM 710 CD ARG A 50 23.664 -2.597 -24.509 1.00 43.11 C ATOM 711 NE ARG A 50 23.430 -2.726 -25.962 1.00 1.03 N ATOM 712 CZ ARG A 50 22.496 -2.069 -26.652 1.00 23.41 C ATOM 713 NH1 ARG A 50 21.676 -1.215 -26.093 1.00 11.24 N ATOM 714 NH2 ARG A 50 22.385 -2.283 -27.930 1.00 53.34 N ATOM 0 H ARG A 50 24.105 -5.687 -21.986 1.00 1.43 H new ATOM 0 HA ARG A 50 25.100 -3.047 -22.225 1.00 55.41 H new ATOM 0 HB2 ARG A 50 22.335 -4.211 -21.745 1.00 20.42 H new ATOM 0 HB3 ARG A 50 22.609 -2.495 -21.971 1.00 20.42 H new ATOM 0 HG2 ARG A 50 23.290 -4.650 -23.990 1.00 44.31 H new ATOM 0 HG3 ARG A 50 21.852 -3.649 -24.025 1.00 44.31 H new ATOM 0 HD2 ARG A 50 23.353 -1.607 -24.175 1.00 43.11 H new ATOM 0 HD3 ARG A 50 24.731 -2.683 -24.301 1.00 43.11 H new ATOM 0 HE ARG A 50 24.030 -3.369 -26.479 1.00 1.03 H new ATOM 0 HH11 ARG A 50 21.737 -1.030 -25.092 1.00 11.24 H new ATOM 0 HH12 ARG A 50 20.976 -0.735 -26.659 1.00 11.24 H new ATOM 0 HH21 ARG A 50 23.007 -2.946 -28.392 1.00 53.34 H new ATOM 0 HH22 ARG A 50 21.676 -1.788 -28.470 1.00 53.34 H new ATOM 728 N ILE A 51 23.930 -3.943 -19.280 1.00 41.13 N ATOM 729 CA ILE A 51 23.949 -3.589 -17.859 1.00 54.42 C ATOM 730 C ILE A 51 25.388 -3.317 -17.419 1.00 13.31 C ATOM 731 O ILE A 51 25.634 -2.393 -16.656 1.00 31.20 O ATOM 732 CB ILE A 51 23.284 -4.722 -16.991 1.00 43.22 C ATOM 733 CG1 ILE A 51 21.752 -4.559 -17.054 1.00 65.14 C ATOM 734 CG2 ILE A 51 23.786 -4.679 -15.533 1.00 63.42 C ATOM 735 CD1 ILE A 51 20.967 -5.706 -16.433 1.00 72.32 C ATOM 0 H ILE A 51 23.538 -4.862 -19.485 1.00 41.13 H new ATOM 0 HA ILE A 51 23.364 -2.682 -17.707 1.00 54.42 H new ATOM 0 HB ILE A 51 23.564 -5.695 -17.394 1.00 43.22 H new ATOM 0 HG12 ILE A 51 21.477 -3.633 -16.549 1.00 65.14 H new ATOM 0 HG13 ILE A 51 21.453 -4.454 -18.097 1.00 65.14 H new ATOM 0 HG21 ILE A 51 23.308 -5.474 -14.960 1.00 63.42 H new ATOM 0 HG22 ILE A 51 24.867 -4.819 -15.516 1.00 63.42 H new ATOM 0 HG23 ILE A 51 23.538 -3.714 -15.091 1.00 63.42 H new ATOM 0 HD11 ILE A 51 19.899 -5.507 -16.522 1.00 72.32 H new ATOM 0 HD12 ILE A 51 21.207 -6.634 -16.951 1.00 72.32 H new ATOM 0 HD13 ILE A 51 21.232 -5.800 -15.380 1.00 72.32 H new ATOM 747 N ARG A 52 26.345 -4.084 -17.913 1.00 42.35 N ATOM 748 CA ARG A 52 27.749 -3.865 -17.538 1.00 24.50 C ATOM 749 C ARG A 52 28.297 -2.530 -18.017 1.00 30.20 C ATOM 750 O ARG A 52 29.115 -1.930 -17.345 1.00 53.33 O ATOM 751 CB ARG A 52 28.621 -5.008 -18.057 1.00 72.23 C ATOM 752 CG ARG A 52 29.688 -5.474 -17.055 1.00 21.54 C ATOM 753 CD ARG A 52 30.960 -4.608 -17.037 1.00 20.03 C ATOM 754 NE ARG A 52 31.594 -4.500 -18.365 1.00 54.51 N ATOM 755 CZ ARG A 52 32.775 -3.946 -18.607 1.00 75.11 C ATOM 756 NH1 ARG A 52 33.513 -3.435 -17.651 1.00 65.21 N ATOM 757 NH2 ARG A 52 33.211 -3.900 -19.836 1.00 75.33 N ATOM 0 H ARG A 52 26.190 -4.854 -18.564 1.00 42.35 H new ATOM 0 HA ARG A 52 27.778 -3.842 -16.449 1.00 24.50 H new ATOM 0 HB2 ARG A 52 27.982 -5.853 -18.313 1.00 72.23 H new ATOM 0 HB3 ARG A 52 29.113 -4.690 -18.976 1.00 72.23 H new ATOM 0 HG2 ARG A 52 29.253 -5.481 -16.056 1.00 21.54 H new ATOM 0 HG3 ARG A 52 29.965 -6.502 -17.289 1.00 21.54 H new ATOM 0 HD2 ARG A 52 30.710 -3.610 -16.676 1.00 20.03 H new ATOM 0 HD3 ARG A 52 31.674 -5.033 -16.331 1.00 20.03 H new ATOM 0 HE ARG A 52 31.083 -4.882 -19.161 1.00 54.51 H new ATOM 0 HH11 ARG A 52 33.184 -3.456 -16.686 1.00 65.21 H new ATOM 0 HH12 ARG A 52 34.416 -3.017 -17.873 1.00 65.21 H new ATOM 0 HH21 ARG A 52 32.646 -4.286 -20.592 1.00 75.33 H new ATOM 0 HH22 ARG A 52 34.117 -3.478 -20.040 1.00 75.33 H new ATOM 771 N GLU A 53 27.834 -2.039 -19.146 1.00 5.33 N ATOM 772 CA GLU A 53 28.315 -0.741 -19.628 1.00 52.13 C ATOM 773 C GLU A 53 27.611 0.403 -18.882 1.00 30.50 C ATOM 774 O GLU A 53 28.229 1.418 -18.579 1.00 5.54 O ATOM 775 CB GLU A 53 28.066 -0.596 -21.146 1.00 32.11 C ATOM 776 CG GLU A 53 28.746 -1.687 -21.988 1.00 42.30 C ATOM 777 CD GLU A 53 30.278 -1.703 -21.842 1.00 34.43 C ATOM 778 OE1 GLU A 53 30.918 -0.715 -22.238 1.00 23.03 O ATOM 779 OE2 GLU A 53 30.839 -2.733 -21.380 1.00 15.41 O ATOM 0 H GLU A 53 27.143 -2.496 -19.741 1.00 5.33 H new ATOM 0 HA GLU A 53 29.387 -0.688 -19.438 1.00 52.13 H new ATOM 0 HB2 GLU A 53 26.993 -0.620 -21.334 1.00 32.11 H new ATOM 0 HB3 GLU A 53 28.425 0.380 -21.473 1.00 32.11 H new ATOM 0 HG2 GLU A 53 28.350 -2.660 -21.697 1.00 42.30 H new ATOM 0 HG3 GLU A 53 28.490 -1.539 -23.037 1.00 42.30 H new ATOM 786 N GLU A 54 26.321 0.276 -18.668 1.00 64.44 N ATOM 787 CA GLU A 54 25.524 1.380 -18.109 1.00 23.24 C ATOM 788 C GLU A 54 25.521 1.467 -16.581 1.00 24.14 C ATOM 789 O GLU A 54 25.415 2.547 -16.007 1.00 61.43 O ATOM 790 CB GLU A 54 24.069 1.235 -18.600 1.00 22.31 C ATOM 791 CG GLU A 54 23.902 1.265 -20.112 1.00 43.44 C ATOM 792 CD GLU A 54 24.261 2.573 -20.786 1.00 33.02 C ATOM 793 OE1 GLU A 54 23.919 3.633 -20.241 1.00 23.31 O ATOM 794 OE2 GLU A 54 24.860 2.535 -21.894 1.00 44.13 O ATOM 0 H GLU A 54 25.789 -0.572 -18.867 1.00 64.44 H new ATOM 0 HA GLU A 54 25.995 2.298 -18.459 1.00 23.24 H new ATOM 0 HB2 GLU A 54 23.664 0.296 -18.222 1.00 22.31 H new ATOM 0 HB3 GLU A 54 23.472 2.037 -18.166 1.00 22.31 H new ATOM 0 HG2 GLU A 54 24.517 0.475 -20.543 1.00 43.44 H new ATOM 0 HG3 GLU A 54 22.865 1.028 -20.349 1.00 43.44 H new ATOM 801 N LEU A 55 25.613 0.320 -15.940 1.00 14.03 N ATOM 802 CA LEU A 55 25.581 0.252 -14.473 1.00 4.31 C ATOM 803 C LEU A 55 26.953 -0.136 -13.926 1.00 22.55 C ATOM 804 O LEU A 55 27.252 0.132 -12.761 1.00 52.22 O ATOM 805 CB LEU A 55 24.563 -0.779 -13.970 1.00 22.45 C ATOM 806 CG LEU A 55 23.064 -0.458 -14.104 1.00 2.03 C ATOM 807 CD1 LEU A 55 22.548 -0.456 -15.509 1.00 62.10 C ATOM 808 CD2 LEU A 55 22.301 -1.520 -13.292 1.00 31.42 C ATOM 0 H LEU A 55 25.711 -0.584 -16.402 1.00 14.03 H new ATOM 0 HA LEU A 55 25.292 1.242 -14.121 1.00 4.31 H new ATOM 0 HB2 LEU A 55 24.750 -1.714 -14.498 1.00 22.45 H new ATOM 0 HB3 LEU A 55 24.770 -0.962 -12.915 1.00 22.45 H new ATOM 0 HG LEU A 55 22.913 0.557 -13.737 1.00 2.03 H new ATOM 0 HD11 LEU A 55 21.484 -0.220 -15.505 1.00 62.10 H new ATOM 0 HD12 LEU A 55 23.084 0.293 -16.092 1.00 62.10 H new ATOM 0 HD13 LEU A 55 22.700 -1.439 -15.954 1.00 62.10 H new ATOM 0 HD21 LEU A 55 21.230 -1.330 -13.360 1.00 31.42 H new ATOM 0 HD22 LEU A 55 22.520 -2.510 -13.692 1.00 31.42 H new ATOM 0 HD23 LEU A 55 22.613 -1.473 -12.249 1.00 31.42 H new ATOM 820 N GLY A 56 27.777 -0.800 -14.726 1.00 73.54 N ATOM 821 CA GLY A 56 29.099 -1.201 -14.262 1.00 50.45 C ATOM 822 C GLY A 56 29.099 -2.414 -13.358 1.00 12.43 C ATOM 823 O GLY A 56 30.040 -2.624 -12.595 1.00 11.14 O ATOM 0 H GLY A 56 27.559 -1.069 -15.685 1.00 73.54 H new ATOM 0 HA2 GLY A 56 29.728 -1.407 -15.128 1.00 50.45 H new ATOM 0 HA3 GLY A 56 29.554 -0.365 -13.730 1.00 50.45 H new ATOM 827 N VAL A 57 28.021 -3.200 -13.406 1.00 20.53 N ATOM 828 CA VAL A 57 27.867 -4.335 -12.481 1.00 72.41 C ATOM 829 C VAL A 57 27.692 -5.655 -13.254 1.00 55.43 C ATOM 830 O VAL A 57 27.246 -5.674 -14.407 1.00 43.51 O ATOM 831 CB VAL A 57 26.642 -4.110 -11.568 1.00 33.43 C ATOM 832 CG1 VAL A 57 26.839 -2.798 -10.760 1.00 75.33 C ATOM 833 CG2 VAL A 57 25.337 -4.062 -12.382 1.00 13.45 C ATOM 0 H VAL A 57 27.250 -3.078 -14.063 1.00 20.53 H new ATOM 0 HA VAL A 57 28.770 -4.402 -11.874 1.00 72.41 H new ATOM 0 HB VAL A 57 26.559 -4.950 -10.878 1.00 33.43 H new ATOM 0 HG11 VAL A 57 25.976 -2.635 -10.114 1.00 75.33 H new ATOM 0 HG12 VAL A 57 27.739 -2.878 -10.150 1.00 75.33 H new ATOM 0 HG13 VAL A 57 26.940 -1.959 -11.448 1.00 75.33 H new ATOM 0 HG21 VAL A 57 24.494 -3.902 -11.709 1.00 13.45 H new ATOM 0 HG22 VAL A 57 25.387 -3.245 -13.101 1.00 13.45 H new ATOM 0 HG23 VAL A 57 25.204 -5.005 -12.913 1.00 13.45 H new ATOM 843 N ASP A 58 28.076 -6.749 -12.625 1.00 64.21 N ATOM 844 CA ASP A 58 27.988 -8.089 -13.222 1.00 75.31 C ATOM 845 C ASP A 58 27.168 -8.987 -12.295 1.00 14.00 C ATOM 846 O ASP A 58 27.441 -9.058 -11.090 1.00 54.34 O ATOM 847 CB ASP A 58 29.391 -8.680 -13.385 1.00 52.05 C ATOM 848 CG ASP A 58 29.363 -10.089 -13.981 1.00 63.15 C ATOM 849 OD1 ASP A 58 28.385 -10.414 -14.692 1.00 72.41 O ATOM 850 OD2 ASP A 58 30.287 -10.865 -13.724 1.00 42.02 O ATOM 0 H ASP A 58 28.461 -6.745 -11.681 1.00 64.21 H new ATOM 0 HA ASP A 58 27.513 -8.023 -14.201 1.00 75.31 H new ATOM 0 HB2 ASP A 58 29.985 -8.029 -14.026 1.00 52.05 H new ATOM 0 HB3 ASP A 58 29.886 -8.709 -12.414 1.00 52.05 H new ATOM 855 N LEU A 59 26.166 -9.651 -12.853 1.00 2.43 N ATOM 856 CA LEU A 59 25.301 -10.560 -12.108 1.00 34.33 C ATOM 857 C LEU A 59 25.305 -11.893 -12.824 1.00 61.33 C ATOM 858 O LEU A 59 25.233 -11.935 -14.046 1.00 33.54 O ATOM 859 CB LEU A 59 23.855 -10.045 -12.054 1.00 63.32 C ATOM 860 CG LEU A 59 23.584 -8.855 -11.115 1.00 41.01 C ATOM 861 CD1 LEU A 59 23.088 -7.691 -11.940 1.00 12.31 C ATOM 862 CD2 LEU A 59 22.543 -9.255 -10.063 1.00 62.21 C ATOM 0 H LEU A 59 25.927 -9.575 -13.842 1.00 2.43 H new ATOM 0 HA LEU A 59 25.673 -10.643 -11.087 1.00 34.33 H new ATOM 0 HB2 LEU A 59 23.557 -9.758 -13.063 1.00 63.32 H new ATOM 0 HB3 LEU A 59 23.210 -10.871 -11.753 1.00 63.32 H new ATOM 0 HG LEU A 59 24.499 -8.566 -10.598 1.00 41.01 H new ATOM 0 HD11 LEU A 59 22.892 -6.840 -11.288 1.00 12.31 H new ATOM 0 HD12 LEU A 59 23.845 -7.418 -12.675 1.00 12.31 H new ATOM 0 HD13 LEU A 59 22.169 -7.974 -12.453 1.00 12.31 H new ATOM 0 HD21 LEU A 59 22.353 -8.411 -9.400 1.00 62.21 H new ATOM 0 HD22 LEU A 59 21.616 -9.542 -10.559 1.00 62.21 H new ATOM 0 HD23 LEU A 59 22.919 -10.096 -9.481 1.00 62.21 H new ATOM 874 N PRO A 60 25.330 -13.008 -12.072 1.00 13.20 N ATOM 875 CA PRO A 60 25.306 -14.273 -12.806 1.00 63.11 C ATOM 876 C PRO A 60 23.946 -14.554 -13.434 1.00 14.33 C ATOM 877 O PRO A 60 22.902 -14.147 -12.915 1.00 24.01 O ATOM 878 CB PRO A 60 25.641 -15.306 -11.727 1.00 12.02 C ATOM 879 CG PRO A 60 25.111 -14.703 -10.477 1.00 30.31 C ATOM 880 CD PRO A 60 25.391 -13.229 -10.613 1.00 63.20 C ATOM 0 HA PRO A 60 26.001 -14.279 -13.646 1.00 63.11 H new ATOM 0 HB2 PRO A 60 25.173 -16.268 -11.936 1.00 12.02 H new ATOM 0 HB3 PRO A 60 26.715 -15.481 -11.662 1.00 12.02 H new ATOM 0 HG2 PRO A 60 24.044 -14.895 -10.367 1.00 30.31 H new ATOM 0 HG3 PRO A 60 25.602 -15.120 -9.598 1.00 30.31 H new ATOM 0 HD2 PRO A 60 24.652 -12.628 -10.083 1.00 63.20 H new ATOM 0 HD3 PRO A 60 26.367 -12.965 -10.206 1.00 63.20 H new ATOM 888 N ILE A 61 23.962 -15.314 -14.517 1.00 21.03 N ATOM 889 CA ILE A 61 22.730 -15.732 -15.198 1.00 73.15 C ATOM 890 C ILE A 61 21.849 -16.557 -14.239 1.00 5.04 C ATOM 891 O ILE A 61 20.629 -16.616 -14.394 1.00 11.32 O ATOM 892 CB ILE A 61 23.074 -16.504 -16.539 1.00 3.45 C ATOM 893 CG1 ILE A 61 21.847 -16.605 -17.476 1.00 73.25 C ATOM 894 CG2 ILE A 61 23.622 -17.915 -16.234 1.00 22.43 C ATOM 895 CD1 ILE A 61 21.492 -15.308 -18.194 1.00 42.04 C ATOM 0 H ILE A 61 24.817 -15.660 -14.952 1.00 21.03 H new ATOM 0 HA ILE A 61 22.152 -14.853 -15.484 1.00 73.15 H new ATOM 0 HB ILE A 61 23.843 -15.927 -17.053 1.00 3.45 H new ATOM 0 HG12 ILE A 61 22.037 -17.378 -18.221 1.00 73.25 H new ATOM 0 HG13 ILE A 61 20.986 -16.930 -16.892 1.00 73.25 H new ATOM 0 HG21 ILE A 61 23.851 -18.426 -17.169 1.00 22.43 H new ATOM 0 HG22 ILE A 61 24.528 -17.832 -15.634 1.00 22.43 H new ATOM 0 HG23 ILE A 61 22.874 -18.485 -15.683 1.00 22.43 H new ATOM 0 HD11 ILE A 61 20.621 -15.470 -18.829 1.00 42.04 H new ATOM 0 HD12 ILE A 61 21.267 -14.535 -17.459 1.00 42.04 H new ATOM 0 HD13 ILE A 61 22.334 -14.990 -18.808 1.00 42.04 H new ATOM 907 N ARG A 62 22.454 -17.109 -13.192 1.00 3.15 N ATOM 908 CA ARG A 62 21.709 -17.829 -12.157 1.00 70.12 C ATOM 909 C ARG A 62 20.691 -16.924 -11.492 1.00 4.04 C ATOM 910 O ARG A 62 19.607 -17.366 -11.160 1.00 54.14 O ATOM 911 CB ARG A 62 22.654 -18.339 -11.062 1.00 5.32 C ATOM 912 CG ARG A 62 23.631 -19.436 -11.499 1.00 50.13 C ATOM 913 CD ARG A 62 24.577 -19.791 -10.332 1.00 30.14 C ATOM 914 NE ARG A 62 23.851 -20.336 -9.168 1.00 32.42 N ATOM 915 CZ ARG A 62 24.392 -20.604 -7.981 1.00 60.12 C ATOM 916 NH1 ARG A 62 25.662 -20.389 -7.725 1.00 20.40 N ATOM 917 NH2 ARG A 62 23.653 -21.109 -7.034 1.00 65.14 N ATOM 0 H ARG A 62 23.461 -17.073 -13.035 1.00 3.15 H new ATOM 0 HA ARG A 62 21.209 -18.663 -12.649 1.00 70.12 H new ATOM 0 HB2 ARG A 62 23.228 -17.496 -10.679 1.00 5.32 H new ATOM 0 HB3 ARG A 62 22.054 -18.718 -10.235 1.00 5.32 H new ATOM 0 HG2 ARG A 62 23.080 -20.322 -11.814 1.00 50.13 H new ATOM 0 HG3 ARG A 62 24.210 -19.098 -12.358 1.00 50.13 H new ATOM 0 HD2 ARG A 62 25.313 -20.520 -10.672 1.00 30.14 H new ATOM 0 HD3 ARG A 62 25.127 -18.900 -10.030 1.00 30.14 H new ATOM 0 HE ARG A 62 22.855 -20.522 -9.282 1.00 32.42 H new ATOM 0 HH11 ARG A 62 26.270 -20.004 -8.448 1.00 20.40 H new ATOM 0 HH12 ARG A 62 26.040 -20.607 -6.803 1.00 20.40 H new ATOM 0 HH21 ARG A 62 22.665 -21.297 -7.204 1.00 65.14 H new ATOM 0 HH22 ARG A 62 24.063 -21.316 -6.123 1.00 65.14 H new ATOM 931 N GLN A 63 21.060 -15.674 -11.266 1.00 20.22 N ATOM 932 CA GLN A 63 20.178 -14.746 -10.580 1.00 31.33 C ATOM 933 C GLN A 63 19.135 -14.210 -11.524 1.00 35.14 C ATOM 934 O GLN A 63 18.037 -13.930 -11.108 1.00 33.51 O ATOM 935 CB GLN A 63 20.943 -13.578 -9.958 1.00 34.51 C ATOM 936 CG GLN A 63 21.423 -13.864 -8.529 1.00 14.21 C ATOM 937 CD GLN A 63 20.282 -14.288 -7.604 1.00 14.01 C ATOM 938 OE1 GLN A 63 20.284 -15.386 -7.079 1.00 11.04 O ATOM 939 NE2 GLN A 63 19.315 -13.428 -7.418 1.00 33.31 N ATOM 0 H GLN A 63 21.959 -15.281 -11.546 1.00 20.22 H new ATOM 0 HA GLN A 63 19.697 -15.304 -9.777 1.00 31.33 H new ATOM 0 HB2 GLN A 63 21.804 -13.342 -10.583 1.00 34.51 H new ATOM 0 HB3 GLN A 63 20.303 -12.696 -9.950 1.00 34.51 H new ATOM 0 HG2 GLN A 63 22.178 -14.649 -8.553 1.00 14.21 H new ATOM 0 HG3 GLN A 63 21.903 -12.973 -8.125 1.00 14.21 H new ATOM 0 HE21 GLN A 63 19.348 -12.517 -7.875 1.00 33.31 H new ATOM 0 HE22 GLN A 63 18.528 -13.668 -6.816 1.00 33.31 H new ATOM 948 N LEU A 64 19.449 -14.103 -12.798 1.00 64.03 N ATOM 949 CA LEU A 64 18.462 -13.642 -13.771 1.00 42.32 C ATOM 950 C LEU A 64 17.360 -14.687 -13.937 1.00 52.34 C ATOM 951 O LEU A 64 16.200 -14.341 -14.060 1.00 42.21 O ATOM 952 CB LEU A 64 19.136 -13.343 -15.107 1.00 60.25 C ATOM 953 CG LEU A 64 19.466 -11.854 -15.325 1.00 73.31 C ATOM 954 CD1 LEU A 64 20.385 -11.711 -16.531 1.00 60.24 C ATOM 955 CD2 LEU A 64 18.194 -11.030 -15.546 1.00 51.41 C ATOM 0 H LEU A 64 20.365 -14.324 -13.187 1.00 64.03 H new ATOM 0 HA LEU A 64 18.008 -12.721 -13.406 1.00 42.32 H new ATOM 0 HB2 LEU A 64 20.057 -13.922 -15.175 1.00 60.25 H new ATOM 0 HB3 LEU A 64 18.486 -13.682 -15.914 1.00 60.25 H new ATOM 0 HG LEU A 64 19.963 -11.477 -14.431 1.00 73.31 H new ATOM 0 HD11 LEU A 64 20.620 -10.658 -16.687 1.00 60.24 H new ATOM 0 HD12 LEU A 64 21.306 -12.266 -16.354 1.00 60.24 H new ATOM 0 HD13 LEU A 64 19.888 -12.107 -17.416 1.00 60.24 H new ATOM 0 HD21 LEU A 64 18.460 -9.984 -15.697 1.00 51.41 H new ATOM 0 HD22 LEU A 64 17.668 -11.401 -16.426 1.00 51.41 H new ATOM 0 HD23 LEU A 64 17.547 -11.118 -14.673 1.00 51.41 H new ATOM 967 N PHE A 65 17.703 -15.968 -13.866 1.00 22.13 N ATOM 968 CA PHE A 65 16.677 -17.016 -13.945 1.00 61.42 C ATOM 969 C PHE A 65 15.860 -17.084 -12.657 1.00 53.14 C ATOM 970 O PHE A 65 14.688 -17.426 -12.674 1.00 13.31 O ATOM 971 CB PHE A 65 17.314 -18.389 -14.221 1.00 31.42 C ATOM 972 CG PHE A 65 17.929 -18.519 -15.606 1.00 30.01 C ATOM 973 CD1 PHE A 65 17.294 -17.976 -16.748 1.00 71.41 C ATOM 974 CD2 PHE A 65 19.145 -19.208 -15.767 1.00 54.13 C ATOM 975 CE1 PHE A 65 17.865 -18.114 -18.039 1.00 31.10 C ATOM 976 CE2 PHE A 65 19.732 -19.367 -17.056 1.00 10.34 C ATOM 977 CZ PHE A 65 19.082 -18.817 -18.193 1.00 50.44 C ATOM 0 H PHE A 65 18.659 -16.307 -13.756 1.00 22.13 H new ATOM 0 HA PHE A 65 16.013 -16.759 -14.770 1.00 61.42 H new ATOM 0 HB2 PHE A 65 18.085 -18.577 -13.473 1.00 31.42 H new ATOM 0 HB3 PHE A 65 16.555 -19.162 -14.098 1.00 31.42 H new ATOM 0 HD1 PHE A 65 16.359 -17.448 -16.635 1.00 71.41 H new ATOM 0 HD2 PHE A 65 19.641 -19.622 -14.902 1.00 54.13 H new ATOM 0 HE1 PHE A 65 17.373 -17.685 -18.899 1.00 31.10 H new ATOM 0 HE2 PHE A 65 20.664 -19.902 -17.167 1.00 10.34 H new ATOM 0 HZ PHE A 65 19.517 -18.936 -19.174 1.00 50.44 H new ATOM 987 N SER A 66 16.484 -16.749 -11.532 1.00 70.00 N ATOM 988 CA SER A 66 15.805 -16.748 -10.237 1.00 63.23 C ATOM 989 C SER A 66 14.929 -15.503 -10.082 1.00 30.42 C ATOM 990 O SER A 66 14.006 -15.461 -9.251 1.00 11.32 O ATOM 991 CB SER A 66 16.860 -16.785 -9.115 1.00 21.35 C ATOM 992 OG SER A 66 16.278 -16.913 -7.833 1.00 3.43 O ATOM 0 H SER A 66 17.465 -16.473 -11.490 1.00 70.00 H new ATOM 0 HA SER A 66 15.163 -17.627 -10.175 1.00 63.23 H new ATOM 0 HB2 SER A 66 17.541 -17.619 -9.287 1.00 21.35 H new ATOM 0 HB3 SER A 66 17.457 -15.874 -9.151 1.00 21.35 H new ATOM 0 HG SER A 66 16.984 -16.934 -7.154 1.00 3.43 H new ATOM 998 N SER A 67 15.304 -14.452 -10.785 1.00 42.51 N ATOM 999 CA SER A 67 14.689 -13.138 -10.665 1.00 11.34 C ATOM 1000 C SER A 67 14.610 -12.471 -12.020 1.00 3.13 C ATOM 1001 O SER A 67 15.461 -11.631 -12.336 1.00 31.22 O ATOM 1002 CB SER A 67 15.520 -12.283 -9.716 1.00 1.41 C ATOM 1003 OG SER A 67 15.001 -10.985 -9.626 1.00 22.53 O ATOM 0 H SER A 67 16.059 -14.485 -11.470 1.00 42.51 H new ATOM 0 HA SER A 67 13.678 -13.248 -10.272 1.00 11.34 H new ATOM 0 HB2 SER A 67 15.536 -12.742 -8.727 1.00 1.41 H new ATOM 0 HB3 SER A 67 16.552 -12.243 -10.066 1.00 1.41 H new ATOM 0 HG SER A 67 15.292 -10.462 -10.402 1.00 22.53 H new ATOM 1009 N PRO A 68 13.662 -12.882 -12.856 1.00 52.43 N ATOM 1010 CA PRO A 68 13.584 -12.332 -14.211 1.00 14.32 C ATOM 1011 C PRO A 68 12.984 -10.929 -14.308 1.00 33.51 C ATOM 1012 O PRO A 68 12.970 -10.350 -15.383 1.00 23.13 O ATOM 1013 CB PRO A 68 12.678 -13.327 -14.911 1.00 62.03 C ATOM 1014 CG PRO A 68 11.755 -13.774 -13.828 1.00 73.53 C ATOM 1015 CD PRO A 68 12.637 -13.925 -12.643 1.00 53.31 C ATOM 0 HA PRO A 68 14.580 -12.211 -14.637 1.00 14.32 H new ATOM 0 HB2 PRO A 68 12.136 -12.865 -15.736 1.00 62.03 H new ATOM 0 HB3 PRO A 68 13.243 -14.161 -15.328 1.00 62.03 H new ATOM 0 HG2 PRO A 68 10.967 -13.043 -13.648 1.00 73.53 H new ATOM 0 HG3 PRO A 68 11.266 -14.714 -14.083 1.00 73.53 H new ATOM 0 HD2 PRO A 68 12.092 -13.771 -11.712 1.00 53.31 H new ATOM 0 HD3 PRO A 68 13.078 -14.920 -12.593 1.00 53.31 H new ATOM 1023 N THR A 69 12.462 -10.382 -13.220 1.00 22.44 N ATOM 1024 CA THR A 69 11.858 -9.048 -13.216 1.00 2.11 C ATOM 1025 C THR A 69 12.857 -7.981 -12.745 1.00 22.43 C ATOM 1026 O THR A 69 13.621 -8.226 -11.810 1.00 74.25 O ATOM 1027 CB THR A 69 10.625 -8.993 -12.270 1.00 33.34 C ATOM 1028 OG1 THR A 69 11.002 -9.412 -10.960 1.00 21.52 O ATOM 1029 CG2 THR A 69 9.524 -9.920 -12.734 1.00 71.53 C ATOM 0 H THR A 69 12.443 -10.847 -12.312 1.00 22.44 H new ATOM 0 HA THR A 69 11.554 -8.845 -14.243 1.00 2.11 H new ATOM 0 HB THR A 69 10.265 -7.964 -12.274 1.00 33.34 H new ATOM 0 HG1 THR A 69 10.222 -9.374 -10.367 1.00 21.52 H new ATOM 0 HG21 THR A 69 8.680 -9.854 -12.048 1.00 71.53 H new ATOM 0 HG22 THR A 69 9.202 -9.631 -13.734 1.00 71.53 H new ATOM 0 HG23 THR A 69 9.896 -10.945 -12.754 1.00 71.53 H new ATOM 1037 N PRO A 70 12.832 -6.764 -13.338 1.00 21.24 N ATOM 1038 CA PRO A 70 13.773 -5.723 -12.860 1.00 55.44 C ATOM 1039 C PRO A 70 13.765 -5.437 -11.361 1.00 32.21 C ATOM 1040 O PRO A 70 14.822 -5.167 -10.796 1.00 62.33 O ATOM 1041 CB PRO A 70 13.321 -4.462 -13.669 1.00 41.51 C ATOM 1042 CG PRO A 70 12.698 -5.016 -14.860 1.00 35.45 C ATOM 1043 CD PRO A 70 12.013 -6.292 -14.459 1.00 10.40 C ATOM 0 HA PRO A 70 14.802 -6.045 -13.018 1.00 55.44 H new ATOM 0 HB2 PRO A 70 12.621 -3.851 -13.099 1.00 41.51 H new ATOM 0 HB3 PRO A 70 14.168 -3.824 -13.921 1.00 41.51 H new ATOM 0 HG2 PRO A 70 11.981 -4.311 -15.281 1.00 35.45 H new ATOM 0 HG3 PRO A 70 13.445 -5.208 -15.630 1.00 35.45 H new ATOM 0 HD2 PRO A 70 10.979 -6.119 -14.160 1.00 10.40 H new ATOM 0 HD3 PRO A 70 11.992 -7.013 -15.276 1.00 10.40 H new ATOM 1051 N ALA A 71 12.590 -5.427 -10.738 1.00 23.24 N ATOM 1052 CA ALA A 71 12.521 -5.110 -9.353 1.00 64.10 C ATOM 1053 C ALA A 71 13.284 -6.121 -8.474 1.00 73.14 C ATOM 1054 O ALA A 71 13.973 -5.789 -7.514 1.00 73.11 O ATOM 1055 CB ALA A 71 11.033 -5.050 -8.865 1.00 22.20 C ATOM 0 H ALA A 71 11.695 -5.635 -11.181 1.00 23.24 H new ATOM 0 HA ALA A 71 12.993 -4.133 -9.246 1.00 64.10 H new ATOM 0 HB1 ALA A 71 11.008 -4.806 -7.803 1.00 22.20 H new ATOM 0 HB2 ALA A 71 10.497 -4.285 -9.426 1.00 22.20 H new ATOM 0 HB3 ALA A 71 10.558 -6.018 -9.026 1.00 22.20 H new ATOM 1061 N GLY A 72 13.260 -7.376 -8.905 1.00 65.41 N ATOM 1062 CA GLY A 72 14.002 -8.412 -8.217 1.00 44.12 C ATOM 1063 C GLY A 72 15.498 -8.360 -8.504 1.00 11.23 C ATOM 1064 O GLY A 72 16.315 -8.646 -7.628 1.00 70.34 O ATOM 0 H GLY A 72 12.738 -7.694 -9.721 1.00 65.41 H new ATOM 0 HA2 GLY A 72 13.840 -8.316 -7.143 1.00 44.12 H new ATOM 0 HA3 GLY A 72 13.614 -9.387 -8.512 1.00 44.12 H new ATOM 1068 N VAL A 73 15.871 -7.953 -9.705 1.00 71.42 N ATOM 1069 CA VAL A 73 17.288 -7.829 -10.060 1.00 30.23 C ATOM 1070 C VAL A 73 17.887 -6.693 -9.213 1.00 31.31 C ATOM 1071 O VAL A 73 19.008 -6.828 -8.712 1.00 33.21 O ATOM 1072 CB VAL A 73 17.498 -7.577 -11.598 1.00 73.51 C ATOM 1073 CG1 VAL A 73 18.986 -7.364 -11.917 1.00 53.44 C ATOM 1074 CG2 VAL A 73 16.963 -8.775 -12.411 1.00 44.14 C ATOM 0 H VAL A 73 15.223 -7.702 -10.452 1.00 71.42 H new ATOM 0 HA VAL A 73 17.799 -8.768 -9.846 1.00 30.23 H new ATOM 0 HB VAL A 73 16.947 -6.677 -11.873 1.00 73.51 H new ATOM 0 HG11 VAL A 73 19.108 -7.192 -12.986 1.00 53.44 H new ATOM 0 HG12 VAL A 73 19.356 -6.500 -11.366 1.00 53.44 H new ATOM 0 HG13 VAL A 73 19.551 -8.249 -11.626 1.00 53.44 H new ATOM 0 HG21 VAL A 73 17.114 -8.589 -13.474 1.00 44.14 H new ATOM 0 HG22 VAL A 73 17.498 -9.679 -12.121 1.00 44.14 H new ATOM 0 HG23 VAL A 73 15.899 -8.903 -12.212 1.00 44.14 H new ATOM 1084 N ALA A 74 17.131 -5.620 -9.006 1.00 70.35 N ATOM 1085 CA ALA A 74 17.611 -4.504 -8.197 1.00 54.01 C ATOM 1086 C ALA A 74 17.903 -4.889 -6.751 1.00 33.11 C ATOM 1087 O ALA A 74 18.927 -4.515 -6.212 1.00 54.12 O ATOM 1088 CB ALA A 74 16.610 -3.372 -8.235 1.00 0.41 C ATOM 0 H ALA A 74 16.191 -5.499 -9.383 1.00 70.35 H new ATOM 0 HA ALA A 74 18.558 -4.186 -8.634 1.00 54.01 H new ATOM 0 HB1 ALA A 74 16.975 -2.543 -7.629 1.00 0.41 H new ATOM 0 HB2 ALA A 74 16.477 -3.038 -9.264 1.00 0.41 H new ATOM 0 HB3 ALA A 74 15.655 -3.717 -7.839 1.00 0.41 H new ATOM 1094 N ARG A 75 17.002 -5.645 -6.092 1.00 40.11 N ATOM 1095 CA ARG A 75 17.239 -6.032 -4.702 1.00 55.10 C ATOM 1096 C ARG A 75 18.413 -6.996 -4.587 1.00 51.13 C ATOM 1097 O ARG A 75 19.139 -6.985 -3.613 1.00 45.14 O ATOM 1098 CB ARG A 75 15.965 -6.608 -4.039 1.00 23.41 C ATOM 1099 CG ARG A 75 15.527 -7.971 -4.507 1.00 11.53 C ATOM 1100 CD ARG A 75 14.308 -8.474 -3.770 1.00 4.00 C ATOM 1101 NE ARG A 75 14.099 -9.916 -4.011 1.00 33.44 N ATOM 1102 CZ ARG A 75 13.065 -10.631 -3.577 1.00 72.31 C ATOM 1103 NH1 ARG A 75 12.068 -10.087 -2.921 1.00 61.02 N ATOM 1104 NH2 ARG A 75 13.036 -11.913 -3.825 1.00 63.12 N ATOM 0 H ARG A 75 16.129 -5.988 -6.493 1.00 40.11 H new ATOM 0 HA ARG A 75 17.502 -5.126 -4.156 1.00 55.10 H new ATOM 0 HB2 ARG A 75 16.130 -6.653 -2.962 1.00 23.41 H new ATOM 0 HB3 ARG A 75 15.146 -5.909 -4.207 1.00 23.41 H new ATOM 0 HG2 ARG A 75 15.311 -7.933 -5.575 1.00 11.53 H new ATOM 0 HG3 ARG A 75 16.346 -8.678 -4.372 1.00 11.53 H new ATOM 0 HD2 ARG A 75 14.425 -8.294 -2.701 1.00 4.00 H new ATOM 0 HD3 ARG A 75 13.428 -7.917 -4.093 1.00 4.00 H new ATOM 0 HE ARG A 75 14.808 -10.405 -4.557 1.00 33.44 H new ATOM 0 HH11 ARG A 75 12.070 -9.085 -2.729 1.00 61.02 H new ATOM 0 HH12 ARG A 75 11.291 -10.666 -2.603 1.00 61.02 H new ATOM 0 HH21 ARG A 75 13.798 -12.350 -4.344 1.00 63.12 H new ATOM 0 HH22 ARG A 75 12.251 -12.478 -3.500 1.00 63.12 H new ATOM 1118 N ALA A 76 18.621 -7.787 -5.633 1.00 61.55 N ATOM 1119 CA ALA A 76 19.747 -8.713 -5.672 1.00 41.12 C ATOM 1120 C ALA A 76 21.058 -7.928 -5.838 1.00 11.34 C ATOM 1121 O ALA A 76 22.072 -8.248 -5.247 1.00 5.41 O ATOM 1122 CB ALA A 76 19.553 -9.717 -6.812 1.00 74.55 C ATOM 0 H ALA A 76 18.028 -7.806 -6.462 1.00 61.55 H new ATOM 0 HA ALA A 76 19.799 -9.269 -4.736 1.00 41.12 H new ATOM 0 HB1 ALA A 76 20.397 -10.407 -6.837 1.00 74.55 H new ATOM 0 HB2 ALA A 76 18.632 -10.277 -6.651 1.00 74.55 H new ATOM 0 HB3 ALA A 76 19.492 -9.183 -7.760 1.00 74.55 H new ATOM 1128 N LEU A 77 21.028 -6.896 -6.659 1.00 42.53 N ATOM 1129 CA LEU A 77 22.195 -6.067 -6.889 1.00 1.12 C ATOM 1130 C LEU A 77 22.518 -5.204 -5.657 1.00 61.52 C ATOM 1131 O LEU A 77 23.674 -5.008 -5.299 1.00 21.44 O ATOM 1132 CB LEU A 77 21.971 -5.200 -8.123 1.00 4.30 C ATOM 1133 CG LEU A 77 23.126 -4.218 -8.464 1.00 30.45 C ATOM 1134 CD1 LEU A 77 24.445 -4.955 -8.698 1.00 62.14 C ATOM 1135 CD2 LEU A 77 22.698 -3.444 -9.694 1.00 44.23 C ATOM 0 H LEU A 77 20.200 -6.610 -7.182 1.00 42.53 H new ATOM 0 HA LEU A 77 23.055 -6.714 -7.063 1.00 1.12 H new ATOM 0 HB2 LEU A 77 21.806 -5.853 -8.980 1.00 4.30 H new ATOM 0 HB3 LEU A 77 21.057 -4.624 -7.981 1.00 4.30 H new ATOM 0 HG LEU A 77 23.309 -3.542 -7.629 1.00 30.45 H new ATOM 0 HD11 LEU A 77 25.228 -4.234 -8.934 1.00 62.14 H new ATOM 0 HD12 LEU A 77 24.718 -5.506 -7.798 1.00 62.14 H new ATOM 0 HD13 LEU A 77 24.330 -5.651 -9.529 1.00 62.14 H new ATOM 0 HD21 LEU A 77 23.482 -2.739 -9.971 1.00 44.23 H new ATOM 0 HD22 LEU A 77 22.525 -4.137 -10.518 1.00 44.23 H new ATOM 0 HD23 LEU A 77 21.779 -2.899 -9.479 1.00 44.23 H new ATOM 1147 N ALA A 78 21.487 -4.749 -4.952 1.00 5.35 N ATOM 1148 CA ALA A 78 21.696 -3.989 -3.732 1.00 3.12 C ATOM 1149 C ALA A 78 22.468 -4.857 -2.718 1.00 13.40 C ATOM 1150 O ALA A 78 23.310 -4.343 -1.971 1.00 22.34 O ATOM 1151 CB ALA A 78 20.348 -3.568 -3.142 1.00 60.13 C ATOM 0 H ALA A 78 20.509 -4.893 -5.204 1.00 5.35 H new ATOM 0 HA ALA A 78 22.275 -3.093 -3.956 1.00 3.12 H new ATOM 0 HB1 ALA A 78 20.513 -2.999 -2.227 1.00 60.13 H new ATOM 0 HB2 ALA A 78 19.813 -2.950 -3.863 1.00 60.13 H new ATOM 0 HB3 ALA A 78 19.757 -4.455 -2.915 1.00 60.13 H new ATOM 1157 N ALA A 79 22.188 -6.161 -2.680 1.00 32.13 N ATOM 1158 CA ALA A 79 22.908 -7.039 -1.773 1.00 75.14 C ATOM 1159 C ALA A 79 24.381 -7.152 -2.119 1.00 20.22 C ATOM 1160 O ALA A 79 25.196 -7.368 -1.246 1.00 52.41 O ATOM 1161 CB ALA A 79 22.239 -8.434 -1.782 1.00 72.10 C ATOM 0 H ALA A 79 21.482 -6.620 -3.256 1.00 32.13 H new ATOM 0 HA ALA A 79 22.858 -6.606 -0.774 1.00 75.14 H new ATOM 0 HB1 ALA A 79 22.774 -9.098 -1.104 1.00 72.10 H new ATOM 0 HB2 ALA A 79 21.202 -8.342 -1.458 1.00 72.10 H new ATOM 0 HB3 ALA A 79 22.269 -8.845 -2.791 1.00 72.10 H new ATOM 1167 N LYS A 80 24.718 -6.975 -3.391 1.00 3.14 N ATOM 1168 CA LYS A 80 26.118 -7.008 -3.825 1.00 34.14 C ATOM 1169 C LYS A 80 26.856 -5.716 -3.455 1.00 32.20 C ATOM 1170 O LYS A 80 28.082 -5.694 -3.410 1.00 23.34 O ATOM 1171 CB LYS A 80 26.208 -7.205 -5.333 1.00 5.31 C ATOM 1172 CG LYS A 80 25.796 -8.591 -5.836 1.00 12.22 C ATOM 1173 CD LYS A 80 25.554 -8.588 -7.354 1.00 34.32 C ATOM 1174 CE LYS A 80 26.780 -8.150 -8.168 1.00 62.02 C ATOM 1175 NZ LYS A 80 27.908 -9.158 -8.113 1.00 45.24 N ATOM 0 H LYS A 80 24.047 -6.807 -4.141 1.00 3.14 H new ATOM 0 HA LYS A 80 26.590 -7.845 -3.310 1.00 34.14 H new ATOM 0 HB2 LYS A 80 25.580 -6.458 -5.819 1.00 5.31 H new ATOM 0 HB3 LYS A 80 27.234 -7.012 -5.648 1.00 5.31 H new ATOM 0 HG2 LYS A 80 26.574 -9.314 -5.592 1.00 12.22 H new ATOM 0 HG3 LYS A 80 24.890 -8.912 -5.322 1.00 12.22 H new ATOM 0 HD2 LYS A 80 25.257 -9.588 -7.669 1.00 34.32 H new ATOM 0 HD3 LYS A 80 24.721 -7.922 -7.580 1.00 34.32 H new ATOM 0 HE2 LYS A 80 26.486 -7.996 -9.206 1.00 62.02 H new ATOM 0 HE3 LYS A 80 27.137 -7.191 -7.793 1.00 62.02 H new ATOM 0 HZ1 LYS A 80 28.743 -8.721 -7.673 1.00 45.24 H new ATOM 0 HZ2 LYS A 80 27.611 -9.981 -7.550 1.00 45.24 H new ATOM 0 HZ3 LYS A 80 28.146 -9.466 -9.078 1.00 45.24 H new ATOM 1189 N SER A 81 26.109 -4.649 -3.219 1.00 50.21 N ATOM 1190 CA SER A 81 26.696 -3.360 -2.827 1.00 1.01 C ATOM 1191 C SER A 81 26.881 -3.311 -1.313 1.00 5.30 C ATOM 1192 O SER A 81 27.750 -2.601 -0.806 1.00 30.41 O ATOM 1193 CB SER A 81 25.787 -2.213 -3.271 1.00 32.22 C ATOM 1194 OG SER A 81 26.369 -0.951 -2.988 1.00 10.33 O ATOM 0 H SER A 81 25.092 -4.642 -3.290 1.00 50.21 H new ATOM 0 HA SER A 81 27.667 -3.254 -3.311 1.00 1.01 H new ATOM 0 HB2 SER A 81 25.593 -2.294 -4.341 1.00 32.22 H new ATOM 0 HB3 SER A 81 24.825 -2.293 -2.765 1.00 32.22 H new ATOM 0 HG SER A 81 25.765 -0.238 -3.285 1.00 10.33 H new ATOM 1200 N ALA A 82 26.032 -4.037 -0.602 1.00 51.44 N ATOM 1201 CA ALA A 82 26.074 -4.061 0.852 1.00 34.31 C ATOM 1202 C ALA A 82 27.260 -4.910 1.318 1.00 53.43 C ATOM 1203 O ALA A 82 27.679 -5.834 0.629 1.00 72.03 O ATOM 1204 CB ALA A 82 24.753 -4.621 1.404 1.00 54.20 C ATOM 0 H ALA A 82 25.302 -4.620 -1.011 1.00 51.44 H new ATOM 0 HA ALA A 82 26.202 -3.047 1.230 1.00 34.31 H new ATOM 0 HB1 ALA A 82 24.791 -4.636 2.493 1.00 54.20 H new ATOM 0 HB2 ALA A 82 23.926 -3.990 1.079 1.00 54.20 H new ATOM 0 HB3 ALA A 82 24.604 -5.635 1.032 1.00 54.20 H new ATOM 1210 N SER A 83 27.779 -4.592 2.497 1.00 70.21 N ATOM 1211 CA SER A 83 28.883 -5.347 3.073 1.00 31.41 C ATOM 1212 C SER A 83 28.350 -6.610 3.734 1.00 21.31 C ATOM 1213 O SER A 83 27.292 -6.592 4.376 1.00 13.44 O ATOM 1214 CB SER A 83 29.616 -4.496 4.106 1.00 60.41 C ATOM 1215 OG SER A 83 30.732 -5.189 4.640 1.00 72.54 O ATOM 0 H SER A 83 27.453 -3.816 3.073 1.00 70.21 H new ATOM 0 HA SER A 83 29.579 -5.620 2.280 1.00 31.41 H new ATOM 0 HB2 SER A 83 29.948 -3.566 3.645 1.00 60.41 H new ATOM 0 HB3 SER A 83 28.932 -4.227 4.911 1.00 60.41 H new ATOM 0 HG SER A 83 31.185 -4.621 5.298 1.00 72.54 H new ATOM 1221 N TRP A 84 29.098 -7.695 3.610 1.00 75.00 N ATOM 1222 CA TRP A 84 28.760 -8.965 4.232 1.00 10.23 C ATOM 1223 C TRP A 84 30.076 -9.591 4.657 1.00 1.35 C ATOM 1224 O TRP A 84 31.140 -9.059 4.338 1.00 42.53 O ATOM 1225 CB TRP A 84 28.060 -9.907 3.243 1.00 62.52 C ATOM 1226 CG TRP A 84 26.769 -9.343 2.726 1.00 14.31 C ATOM 1227 CD1 TRP A 84 26.578 -8.689 1.563 1.00 21.10 C ATOM 1228 CD2 TRP A 84 25.469 -9.373 3.365 1.00 52.15 C ATOM 1229 NE1 TRP A 84 25.280 -8.314 1.403 1.00 44.23 N ATOM 1230 CE2 TRP A 84 24.561 -8.705 2.496 1.00 11.50 C ATOM 1231 CE3 TRP A 84 24.979 -9.892 4.587 1.00 54.14 C ATOM 1232 CZ2 TRP A 84 23.195 -8.546 2.802 1.00 25.54 C ATOM 1233 CZ3 TRP A 84 23.605 -9.730 4.910 1.00 1.31 C ATOM 1234 CH2 TRP A 84 22.725 -9.048 4.009 1.00 43.42 C ATOM 0 H TRP A 84 29.963 -7.719 3.071 1.00 75.00 H new ATOM 0 HA TRP A 84 28.080 -8.804 5.069 1.00 10.23 H new ATOM 0 HB2 TRP A 84 28.726 -10.108 2.404 1.00 62.52 H new ATOM 0 HB3 TRP A 84 27.866 -10.862 3.732 1.00 62.52 H new ATOM 0 HD1 TRP A 84 27.360 -8.487 0.846 1.00 21.10 H new ATOM 0 HE1 TRP A 84 24.904 -7.819 0.594 1.00 44.23 H new ATOM 0 HE3 TRP A 84 25.643 -10.406 5.267 1.00 54.14 H new ATOM 0 HZ2 TRP A 84 22.529 -8.046 2.115 1.00 25.54 H new ATOM 0 HZ3 TRP A 84 23.222 -10.123 5.840 1.00 1.31 H new ATOM 0 HH2 TRP A 84 21.685 -8.923 4.271 1.00 43.42 H new ATOM 1245 N SER A 85 30.010 -10.725 5.334 1.00 12.35 N ATOM 1246 CA SER A 85 31.213 -11.460 5.731 1.00 40.43 C ATOM 1247 C SER A 85 31.979 -11.900 4.482 1.00 72.13 C ATOM 1248 O SER A 85 31.378 -12.079 3.404 1.00 2.51 O ATOM 1249 CB SER A 85 30.791 -12.680 6.539 1.00 51.35 C ATOM 1250 OG SER A 85 29.891 -12.287 7.569 1.00 13.43 O ATOM 0 H SER A 85 29.136 -11.163 5.624 1.00 12.35 H new ATOM 0 HA SER A 85 31.861 -10.824 6.334 1.00 40.43 H new ATOM 0 HB2 SER A 85 30.315 -13.413 5.887 1.00 51.35 H new ATOM 0 HB3 SER A 85 31.667 -13.161 6.973 1.00 51.35 H new ATOM 0 HG SER A 85 29.621 -13.075 8.085 1.00 13.43 H new ATOM 1256 N HIS A 86 33.288 -12.093 4.626 1.00 72.03 N ATOM 1257 CA HIS A 86 34.123 -12.515 3.509 1.00 15.01 C ATOM 1258 C HIS A 86 33.650 -13.890 3.030 1.00 25.32 C ATOM 1259 O HIS A 86 33.205 -14.705 3.837 1.00 22.11 O ATOM 1260 CB HIS A 86 35.596 -12.584 3.931 1.00 1.34 C ATOM 1261 CG HIS A 86 36.124 -11.309 4.516 1.00 62.20 C ATOM 1262 ND1 HIS A 86 36.186 -10.121 3.844 1.00 63.43 N ATOM 1263 CD2 HIS A 86 36.647 -11.053 5.748 1.00 15.43 C ATOM 1264 CE1 HIS A 86 36.703 -9.208 4.663 1.00 42.20 C ATOM 1265 NE2 HIS A 86 37.010 -9.722 5.837 1.00 14.22 N ATOM 0 H HIS A 86 33.791 -11.964 5.504 1.00 72.03 H new ATOM 0 HA HIS A 86 34.036 -11.790 2.700 1.00 15.01 H new ATOM 0 HB2 HIS A 86 35.717 -13.384 4.661 1.00 1.34 H new ATOM 0 HB3 HIS A 86 36.200 -12.851 3.063 1.00 1.34 H new ATOM 0 HD2 HIS A 86 36.761 -11.781 6.537 1.00 15.43 H new ATOM 0 HE1 HIS A 86 36.853 -8.172 4.398 1.00 42.20 H new ATOM 0 HE2 HIS A 86 37.425 -9.243 6.636 1.00 14.22 H new ATOM 1273 N PRO A 87 33.736 -14.161 1.710 1.00 11.42 N ATOM 1274 CA PRO A 87 33.281 -15.478 1.262 1.00 71.40 C ATOM 1275 C PRO A 87 34.240 -16.585 1.699 1.00 72.33 C ATOM 1276 O PRO A 87 35.440 -16.371 1.834 1.00 33.23 O ATOM 1277 CB PRO A 87 33.275 -15.353 -0.262 1.00 51.41 C ATOM 1278 CG PRO A 87 34.331 -14.356 -0.538 1.00 21.45 C ATOM 1279 CD PRO A 87 34.200 -13.340 0.577 1.00 22.30 C ATOM 0 HA PRO A 87 32.311 -15.745 1.682 1.00 71.40 H new ATOM 0 HB2 PRO A 87 33.490 -16.307 -0.743 1.00 51.41 H new ATOM 0 HB3 PRO A 87 32.305 -15.021 -0.632 1.00 51.41 H new ATOM 0 HG2 PRO A 87 35.319 -14.816 -0.541 1.00 21.45 H new ATOM 0 HG3 PRO A 87 34.193 -13.892 -1.515 1.00 21.45 H new ATOM 0 HD2 PRO A 87 35.150 -12.851 0.793 1.00 22.30 H new ATOM 0 HD3 PRO A 87 33.487 -12.554 0.327 1.00 22.30 H new ATOM 1287 N GLN A 88 33.686 -17.765 1.919 1.00 71.21 N ATOM 1288 CA GLN A 88 34.497 -18.918 2.304 1.00 33.22 C ATOM 1289 C GLN A 88 35.123 -19.503 1.048 1.00 63.30 C ATOM 1290 O GLN A 88 34.602 -19.372 -0.025 1.00 23.11 O ATOM 1291 CB GLN A 88 33.624 -19.990 2.980 1.00 40.34 C ATOM 1292 CG GLN A 88 32.970 -19.555 4.236 1.00 33.22 C ATOM 1293 CD GLN A 88 33.914 -19.291 5.387 1.00 11.21 C ATOM 1294 OE1 GLN A 88 34.385 -18.172 5.579 1.00 33.54 O ATOM 1295 NE2 GLN A 88 34.283 -20.329 6.097 1.00 44.33 N ATOM 0 H GLN A 88 32.687 -17.954 1.840 1.00 71.21 H new ATOM 0 HA GLN A 88 35.266 -18.601 3.008 1.00 33.22 H new ATOM 0 HB2 GLN A 88 32.854 -20.308 2.277 1.00 40.34 H new ATOM 0 HB3 GLN A 88 34.243 -20.862 3.192 1.00 40.34 H new ATOM 0 HG2 GLN A 88 32.401 -18.647 4.037 1.00 33.22 H new ATOM 0 HG3 GLN A 88 32.255 -20.319 4.540 1.00 33.22 H new ATOM 0 HE21 GLN A 88 33.873 -21.245 5.913 1.00 44.33 H new ATOM 0 HE22 GLN A 88 34.980 -20.221 6.834 1.00 44.33 H new ATOM 1304 N PHE A 89 36.182 -20.273 1.250 1.00 32.32 N ATOM 1305 CA PHE A 89 36.829 -21.021 0.191 1.00 0.34 C ATOM 1306 C PHE A 89 36.066 -22.315 -0.021 1.00 31.11 C ATOM 1307 O PHE A 89 35.500 -22.852 0.924 1.00 23.33 O ATOM 1308 CB PHE A 89 38.294 -21.267 0.568 1.00 62.03 C ATOM 1309 CG PHE A 89 39.085 -20.018 0.799 1.00 32.21 C ATOM 1310 CD1 PHE A 89 39.569 -19.285 -0.296 1.00 64.02 C ATOM 1311 CD2 PHE A 89 39.349 -19.565 2.120 1.00 70.21 C ATOM 1312 CE1 PHE A 89 40.325 -18.102 -0.113 1.00 51.30 C ATOM 1313 CE2 PHE A 89 40.107 -18.385 2.335 1.00 43.30 C ATOM 1314 CZ PHE A 89 40.599 -17.644 1.213 1.00 15.25 C ATOM 0 H PHE A 89 36.618 -20.395 2.164 1.00 32.32 H new ATOM 0 HA PHE A 89 36.822 -20.464 -0.746 1.00 0.34 H new ATOM 0 HB2 PHE A 89 38.328 -21.877 1.470 1.00 62.03 H new ATOM 0 HB3 PHE A 89 38.770 -21.844 -0.225 1.00 62.03 H new ATOM 0 HD1 PHE A 89 39.361 -19.630 -1.298 1.00 64.02 H new ATOM 0 HD2 PHE A 89 38.971 -20.122 2.965 1.00 70.21 H new ATOM 0 HE1 PHE A 89 40.691 -17.551 -0.967 1.00 51.30 H new ATOM 0 HE2 PHE A 89 40.312 -18.047 3.340 1.00 43.30 H new ATOM 0 HZ PHE A 89 41.174 -16.743 1.368 1.00 15.25 H new ATOM 1324 N GLU A 90 36.083 -22.827 -1.251 1.00 15.31 N ATOM 1325 CA GLU A 90 35.369 -24.056 -1.607 1.00 71.23 C ATOM 1326 C GLU A 90 36.283 -25.282 -1.573 1.00 10.14 C ATOM 1327 O GLU A 90 35.903 -26.369 -2.031 1.00 50.52 O ATOM 1328 CB GLU A 90 34.772 -23.898 -3.012 1.00 31.02 C ATOM 1329 CG GLU A 90 33.737 -22.790 -3.111 1.00 61.12 C ATOM 1330 CD GLU A 90 33.139 -22.689 -4.512 1.00 22.44 C ATOM 1331 OE1 GLU A 90 32.446 -23.641 -4.941 1.00 52.02 O ATOM 1332 OE2 GLU A 90 33.355 -21.649 -5.182 1.00 44.12 O ATOM 0 H GLU A 90 36.590 -22.404 -2.028 1.00 15.31 H new ATOM 0 HA GLU A 90 34.581 -24.215 -0.871 1.00 71.23 H new ATOM 0 HB2 GLU A 90 35.577 -23.697 -3.719 1.00 31.02 H new ATOM 0 HB3 GLU A 90 34.313 -24.840 -3.311 1.00 31.02 H new ATOM 0 HG2 GLU A 90 32.941 -22.972 -2.389 1.00 61.12 H new ATOM 0 HG3 GLU A 90 34.198 -21.839 -2.844 1.00 61.12 H new ATOM 1339 N LYS A 91 37.495 -25.097 -1.061 1.00 50.21 N ATOM 1340 CA LYS A 91 38.489 -26.156 -0.993 1.00 42.14 C ATOM 1341 C LYS A 91 39.200 -26.070 0.346 1.00 60.34 C ATOM 1342 O LYS A 91 39.541 -27.119 0.935 1.00 4.32 O ATOM 1343 CB LYS A 91 39.499 -26.004 -2.137 1.00 61.23 C ATOM 1344 CG LYS A 91 40.527 -27.108 -2.159 1.00 32.24 C ATOM 1345 CD LYS A 91 41.550 -26.923 -3.260 1.00 33.33 C ATOM 1346 CE LYS A 91 42.631 -27.994 -3.156 1.00 43.00 C ATOM 1347 NZ LYS A 91 42.060 -29.371 -3.316 1.00 1.01 N ATOM 0 H LYS A 91 37.814 -24.206 -0.681 1.00 50.21 H new ATOM 0 HA LYS A 91 38.003 -27.126 -1.091 1.00 42.14 H new ATOM 0 HB2 LYS A 91 38.966 -25.991 -3.087 1.00 61.23 H new ATOM 0 HB3 LYS A 91 40.006 -25.044 -2.043 1.00 61.23 H new ATOM 0 HG2 LYS A 91 41.036 -27.145 -1.196 1.00 32.24 H new ATOM 0 HG3 LYS A 91 40.024 -28.066 -2.291 1.00 32.24 H new ATOM 0 HD2 LYS A 91 41.063 -26.980 -4.233 1.00 33.33 H new ATOM 0 HD3 LYS A 91 42.000 -25.933 -3.187 1.00 33.33 H new ATOM 0 HE2 LYS A 91 43.389 -27.823 -3.921 1.00 43.00 H new ATOM 0 HE3 LYS A 91 43.130 -27.916 -2.190 1.00 43.00 H new ATOM 0 HZ1 LYS A 91 42.832 -30.052 -3.460 1.00 1.01 H new ATOM 0 HZ2 LYS A 91 41.527 -29.628 -2.460 1.00 1.01 H new ATOM 0 HZ3 LYS A 91 41.424 -29.390 -4.138 1.00 1.01 H new TER 1361 LYS A 91