USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 672 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 17 HIS : no HD1:sc= -5.89! K(o=-9.7!,f=-7.8) USER MOD Set 1.2: A 81 GLN : amide:sc= -3.77! C(o=-9.7!,f=-7.8!) USER MOD Set 2.1: A 16 ASN : amide:sc= -4.54! C(o=-4.5!,f=-17!) USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.707 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -58:sc= 0.937 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -155:sc= -3.21 (180deg=-4.84!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= -6.27! (180deg=-9.31!) USER MOD Single : A 37 THR OG1 : rot 67:sc= 0.488 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -16:sc= -0.111 USER MOD Single : A 61 THR OG1 : rot -170:sc= -0.381 USER MOD Single : A 66 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.47) USER MOD Single : A 67 THR OG1 : rot -19:sc= 0.418 USER MOD Single : A 71 ASN : amide:sc= -3.77! C(o=-3.8!,f=-5.1!) USER MOD Single : A 72 THR OG1 : rot 88:sc= 0.0147 USER MOD Single : A 73 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-1.4) USER MOD Single : A 75 MET CE :methyl -117:sc= -6.39! (180deg=-8.66!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.387 (180deg=-0.387) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 136:sc= -0.447 (180deg=-1.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 31:sc= 0.0274 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.998 5.012 17.113 1.00 0.00 N ATOM 2 CA GLY A 1 6.306 5.494 17.517 1.00 0.00 C ATOM 3 C GLY A 1 7.344 5.340 16.424 1.00 0.00 C ATOM 4 O GLY A 1 7.166 5.843 15.315 1.00 0.00 O ATOM 0 H1 GLY A 1 4.324 5.139 17.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.671 5.548 16.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.060 4.003 16.870 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.232 6.545 17.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.633 4.950 18.403 1.00 0.00 H new ATOM 8 N SER A 2 8.433 4.644 16.736 1.00 0.00 N ATOM 9 CA SER A 2 9.506 4.430 15.773 1.00 0.00 C ATOM 10 C SER A 2 9.940 5.750 15.141 1.00 0.00 C ATOM 11 O SER A 2 10.169 5.827 13.934 1.00 0.00 O ATOM 12 CB SER A 2 9.056 3.455 14.684 1.00 0.00 C ATOM 13 OG SER A 2 10.116 3.163 13.791 1.00 0.00 O ATOM 0 H SER A 2 8.595 4.219 17.649 1.00 0.00 H new ATOM 0 HA SER A 2 10.357 4.003 16.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.698 2.533 15.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.219 3.882 14.132 1.00 0.00 H new ATOM 0 HG SER A 2 10.476 3.998 13.426 1.00 0.00 H new ATOM 19 N SER A 3 10.051 6.785 15.967 1.00 0.00 N ATOM 20 CA SER A 3 10.454 8.103 15.491 1.00 0.00 C ATOM 21 C SER A 3 11.974 8.222 15.444 1.00 0.00 C ATOM 22 O SER A 3 12.627 8.398 16.472 1.00 0.00 O ATOM 23 CB SER A 3 9.873 9.194 16.392 1.00 0.00 C ATOM 24 OG SER A 3 8.460 9.232 16.303 1.00 0.00 O ATOM 0 H SER A 3 9.868 6.736 16.969 1.00 0.00 H new ATOM 0 HA SER A 3 10.065 8.232 14.481 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.170 9.013 17.425 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.284 10.162 16.107 1.00 0.00 H new ATOM 0 HG SER A 3 8.114 9.937 16.890 1.00 0.00 H new ATOM 30 N GLY A 4 12.533 8.124 14.240 1.00 0.00 N ATOM 31 CA GLY A 4 13.971 8.223 14.080 1.00 0.00 C ATOM 32 C GLY A 4 14.485 7.380 12.930 1.00 0.00 C ATOM 33 O GLY A 4 13.711 6.710 12.248 1.00 0.00 O ATOM 0 H GLY A 4 12.015 7.978 13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.244 9.265 13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.459 7.909 15.003 1.00 0.00 H new ATOM 37 N SER A 5 15.797 7.415 12.713 1.00 0.00 N ATOM 38 CA SER A 5 16.413 6.653 11.633 1.00 0.00 C ATOM 39 C SER A 5 15.502 6.609 10.410 1.00 0.00 C ATOM 40 O SER A 5 15.351 5.567 9.771 1.00 0.00 O ATOM 41 CB SER A 5 16.728 5.230 12.100 1.00 0.00 C ATOM 42 OG SER A 5 15.545 4.541 12.470 1.00 0.00 O ATOM 0 H SER A 5 16.453 7.962 13.270 1.00 0.00 H new ATOM 0 HA SER A 5 17.342 7.151 11.354 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.235 4.686 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.412 5.265 12.948 1.00 0.00 H new ATOM 0 HG SER A 5 15.773 3.634 12.763 1.00 0.00 H new ATOM 48 N SER A 6 14.896 7.748 10.090 1.00 0.00 N ATOM 49 CA SER A 6 13.996 7.839 8.946 1.00 0.00 C ATOM 50 C SER A 6 14.715 8.427 7.736 1.00 0.00 C ATOM 51 O SER A 6 15.869 8.842 7.826 1.00 0.00 O ATOM 52 CB SER A 6 12.778 8.697 9.297 1.00 0.00 C ATOM 53 OG SER A 6 13.172 9.977 9.756 1.00 0.00 O ATOM 0 H SER A 6 15.012 8.620 10.606 1.00 0.00 H new ATOM 0 HA SER A 6 13.662 6.832 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.139 8.802 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.187 8.198 10.065 1.00 0.00 H new ATOM 0 HG SER A 6 12.376 10.506 9.972 1.00 0.00 H new ATOM 59 N GLY A 7 14.021 8.458 6.601 1.00 0.00 N ATOM 60 CA GLY A 7 14.609 8.996 5.388 1.00 0.00 C ATOM 61 C GLY A 7 13.563 9.452 4.390 1.00 0.00 C ATOM 62 O GLY A 7 12.419 9.736 4.745 1.00 0.00 O ATOM 0 H GLY A 7 13.064 8.121 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.255 9.836 5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.241 8.237 4.926 1.00 0.00 H new ATOM 66 N PRO A 8 13.953 9.529 3.110 1.00 0.00 N ATOM 67 CA PRO A 8 13.056 9.955 2.032 1.00 0.00 C ATOM 68 C PRO A 8 11.970 8.925 1.741 1.00 0.00 C ATOM 69 O PRO A 8 12.244 7.727 1.658 1.00 0.00 O ATOM 70 CB PRO A 8 13.991 10.101 0.829 1.00 0.00 C ATOM 71 CG PRO A 8 15.131 9.188 1.121 1.00 0.00 C ATOM 72 CD PRO A 8 15.303 9.205 2.615 1.00 0.00 C ATOM 0 HA PRO A 8 12.520 10.869 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.489 9.824 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.329 11.131 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.925 8.179 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.039 9.524 0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.648 8.242 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.035 9.950 2.927 1.00 0.00 H new ATOM 80 N ALA A 9 10.739 9.398 1.585 1.00 0.00 N ATOM 81 CA ALA A 9 9.612 8.517 1.301 1.00 0.00 C ATOM 82 C ALA A 9 9.720 7.923 -0.099 1.00 0.00 C ATOM 83 O ALA A 9 10.261 8.550 -1.010 1.00 0.00 O ATOM 84 CB ALA A 9 8.300 9.272 1.456 1.00 0.00 C ATOM 0 H ALA A 9 10.496 10.386 1.650 1.00 0.00 H new ATOM 0 HA ALA A 9 9.634 7.697 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.467 8.602 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.213 9.644 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.279 10.112 0.761 1.00 0.00 H new ATOM 90 N ARG A 10 9.203 6.710 -0.264 1.00 0.00 N ATOM 91 CA ARG A 10 9.243 6.030 -1.553 1.00 0.00 C ATOM 92 C ARG A 10 7.858 5.996 -2.193 1.00 0.00 C ATOM 93 O ARG A 10 6.833 5.956 -1.511 1.00 0.00 O ATOM 94 CB ARG A 10 9.776 4.606 -1.387 1.00 0.00 C ATOM 95 CG ARG A 10 11.285 4.536 -1.219 1.00 0.00 C ATOM 96 CD ARG A 10 11.759 3.104 -1.026 1.00 0.00 C ATOM 97 NE ARG A 10 13.215 3.000 -1.061 1.00 0.00 N ATOM 98 CZ ARG A 10 13.876 1.874 -0.816 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.216 0.763 -0.521 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.202 1.859 -0.866 1.00 0.00 N ATOM 0 H ARG A 10 8.751 6.178 0.479 1.00 0.00 H new ATOM 0 HA ARG A 10 9.913 6.586 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.301 4.148 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.488 4.016 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.770 4.966 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.585 5.138 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.391 2.726 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.332 2.473 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 10 13.753 3.837 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.197 0.771 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.727 -0.099 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.713 2.712 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.710 0.995 -0.678 1.00 0.00 H new ATOM 114 N PRO A 11 7.825 6.012 -3.534 1.00 0.00 N ATOM 115 CA PRO A 11 6.572 5.982 -4.295 1.00 0.00 C ATOM 116 C PRO A 11 5.865 4.634 -4.195 1.00 0.00 C ATOM 117 O PRO A 11 6.504 3.583 -4.227 1.00 0.00 O ATOM 118 CB PRO A 11 7.025 6.243 -5.733 1.00 0.00 C ATOM 119 CG PRO A 11 8.441 5.781 -5.775 1.00 0.00 C ATOM 120 CD PRO A 11 9.007 6.059 -4.410 1.00 0.00 C ATOM 0 HA PRO A 11 5.851 6.709 -3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.409 5.696 -6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.946 7.300 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.498 4.719 -6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.002 6.310 -6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.749 5.314 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.499 7.031 -4.369 1.00 0.00 H new ATOM 128 N PHE A 12 4.542 4.673 -4.075 1.00 0.00 N ATOM 129 CA PHE A 12 3.748 3.455 -3.972 1.00 0.00 C ATOM 130 C PHE A 12 2.354 3.662 -4.556 1.00 0.00 C ATOM 131 O PHE A 12 1.782 4.748 -4.454 1.00 0.00 O ATOM 132 CB PHE A 12 3.640 3.015 -2.510 1.00 0.00 C ATOM 133 CG PHE A 12 4.972 2.806 -1.847 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.773 1.730 -2.195 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.422 3.685 -0.876 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.999 1.536 -1.588 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.648 3.496 -0.264 1.00 0.00 C ATOM 138 CZ PHE A 12 7.436 2.419 -0.620 1.00 0.00 C ATOM 0 H PHE A 12 3.998 5.535 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 12 4.250 2.675 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.080 3.766 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.068 2.088 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.435 1.035 -2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.809 4.528 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.615 0.695 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.988 4.189 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.393 2.267 -0.142 1.00 0.00 H new ATOM 148 N ARG A 13 1.814 2.614 -5.169 1.00 0.00 N ATOM 149 CA ARG A 13 0.488 2.681 -5.772 1.00 0.00 C ATOM 150 C ARG A 13 -0.559 2.057 -4.854 1.00 0.00 C ATOM 151 O ARG A 13 -0.269 1.116 -4.114 1.00 0.00 O ATOM 152 CB ARG A 13 0.484 1.970 -7.127 1.00 0.00 C ATOM 153 CG ARG A 13 0.948 2.848 -8.277 1.00 0.00 C ATOM 154 CD ARG A 13 -0.204 3.646 -8.869 1.00 0.00 C ATOM 155 NE ARG A 13 0.253 4.609 -9.866 1.00 0.00 N ATOM 156 CZ ARG A 13 0.887 5.736 -9.565 1.00 0.00 C ATOM 157 NH1 ARG A 13 1.138 6.040 -8.299 1.00 0.00 N ATOM 158 NH2 ARG A 13 1.271 6.561 -10.529 1.00 0.00 N ATOM 0 H ARG A 13 2.274 1.708 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 13 0.236 3.731 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.127 1.092 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.524 1.613 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.722 3.530 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.398 2.227 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.921 2.964 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.729 4.172 -8.071 1.00 0.00 H new ATOM 0 HE ARG A 13 0.075 4.405 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.844 5.408 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.625 6.906 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.079 6.330 -11.504 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.758 7.426 -10.296 1.00 0.00 H new ATOM 172 N VAL A 14 -1.777 2.587 -4.907 1.00 0.00 N ATOM 173 CA VAL A 14 -2.867 2.082 -4.081 1.00 0.00 C ATOM 174 C VAL A 14 -4.167 2.009 -4.872 1.00 0.00 C ATOM 175 O VAL A 14 -4.613 3.002 -5.447 1.00 0.00 O ATOM 176 CB VAL A 14 -3.084 2.965 -2.838 1.00 0.00 C ATOM 177 CG1 VAL A 14 -3.975 2.256 -1.828 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.749 3.341 -2.211 1.00 0.00 C ATOM 0 H VAL A 14 -2.033 3.366 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.583 1.079 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.585 3.882 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.117 2.895 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.942 2.042 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.505 1.322 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.922 3.965 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.219 2.436 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.149 3.892 -2.936 1.00 0.00 H new ATOM 188 N SER A 15 -4.772 0.825 -4.898 1.00 0.00 N ATOM 189 CA SER A 15 -6.021 0.621 -5.622 1.00 0.00 C ATOM 190 C SER A 15 -7.117 0.120 -4.686 1.00 0.00 C ATOM 191 O SER A 15 -6.837 -0.367 -3.591 1.00 0.00 O ATOM 192 CB SER A 15 -5.816 -0.375 -6.765 1.00 0.00 C ATOM 193 OG SER A 15 -5.146 0.232 -7.856 1.00 0.00 O ATOM 0 H SER A 15 -4.417 -0.007 -4.426 1.00 0.00 H new ATOM 0 HA SER A 15 -6.332 1.580 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.239 -1.228 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.781 -0.759 -7.095 1.00 0.00 H new ATOM 0 HG SER A 15 -5.663 1.004 -8.169 1.00 0.00 H new ATOM 199 N ASN A 16 -8.364 0.242 -5.125 1.00 0.00 N ATOM 200 CA ASN A 16 -9.504 -0.198 -4.327 1.00 0.00 C ATOM 201 C ASN A 16 -9.764 -1.688 -4.526 1.00 0.00 C ATOM 202 O ASN A 16 -9.092 -2.345 -5.323 1.00 0.00 O ATOM 203 CB ASN A 16 -10.753 0.604 -4.698 1.00 0.00 C ATOM 204 CG ASN A 16 -11.262 0.271 -6.087 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.921 -0.768 -6.653 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.084 1.154 -6.643 1.00 0.00 N ATOM 0 H ASN A 16 -8.612 0.642 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.269 -0.026 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.539 0.406 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.528 1.669 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.460 0.984 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.340 2.002 -6.137 1.00 0.00 H new ATOM 213 N HIS A 17 -10.744 -2.214 -3.799 1.00 0.00 N ATOM 214 CA HIS A 17 -11.095 -3.627 -3.896 1.00 0.00 C ATOM 215 C HIS A 17 -11.423 -4.007 -5.337 1.00 0.00 C ATOM 216 O HIS A 17 -11.061 -5.088 -5.802 1.00 0.00 O ATOM 217 CB HIS A 17 -12.284 -3.943 -2.989 1.00 0.00 C ATOM 218 CG HIS A 17 -13.592 -3.444 -3.522 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.392 -4.185 -4.365 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.239 -2.272 -3.324 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.475 -3.489 -4.665 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.407 -2.325 -4.046 1.00 0.00 N ATOM 0 H HIS A 17 -11.309 -1.684 -3.136 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.235 -4.213 -3.571 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.346 -5.022 -2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.109 -3.503 -2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.901 -1.449 -2.713 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.279 -3.817 -5.307 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.108 -1.585 -4.096 1.00 0.00 H new ATOM 231 N ASP A 18 -12.112 -3.112 -6.037 1.00 0.00 N ATOM 232 CA ASP A 18 -12.489 -3.353 -7.425 1.00 0.00 C ATOM 233 C ASP A 18 -11.339 -3.014 -8.367 1.00 0.00 C ATOM 234 O ASP A 18 -11.527 -2.906 -9.579 1.00 0.00 O ATOM 235 CB ASP A 18 -13.724 -2.530 -7.790 1.00 0.00 C ATOM 236 CG ASP A 18 -15.018 -3.260 -7.486 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.969 -4.488 -7.271 1.00 0.00 O ATOM 238 OD2 ASP A 18 -16.080 -2.602 -7.463 1.00 0.00 O ATOM 0 H ASP A 18 -12.421 -2.213 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.723 -4.412 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.704 -1.588 -7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.691 -2.282 -8.851 1.00 0.00 H new ATOM 243 N ARG A 19 -10.147 -2.846 -7.803 1.00 0.00 N ATOM 244 CA ARG A 19 -8.967 -2.516 -8.593 1.00 0.00 C ATOM 245 C ARG A 19 -9.326 -1.575 -9.739 1.00 0.00 C ATOM 246 O ARG A 19 -8.869 -1.753 -10.869 1.00 0.00 O ATOM 247 CB ARG A 19 -8.326 -3.790 -9.147 1.00 0.00 C ATOM 248 CG ARG A 19 -7.363 -4.459 -8.179 1.00 0.00 C ATOM 249 CD ARG A 19 -6.392 -5.376 -8.904 1.00 0.00 C ATOM 250 NE ARG A 19 -5.193 -4.666 -9.344 1.00 0.00 N ATOM 251 CZ ARG A 19 -4.093 -5.276 -9.770 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.039 -6.600 -9.814 1.00 0.00 N ATOM 253 NH2 ARG A 19 -3.043 -4.561 -10.154 1.00 0.00 N ATOM 0 H ARG A 19 -9.973 -2.933 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.253 -2.012 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.113 -4.497 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.794 -3.548 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.807 -3.697 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.926 -5.032 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.106 -6.196 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.888 -5.819 -9.767 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.201 -3.646 -9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.844 -7.153 -9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.193 -7.065 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.080 -3.542 -10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.198 -5.030 -10.481 1.00 0.00 H new ATOM 267 N SER A 20 -10.145 -0.573 -9.440 1.00 0.00 N ATOM 268 CA SER A 20 -10.568 0.395 -10.446 1.00 0.00 C ATOM 269 C SER A 20 -9.975 1.771 -10.159 1.00 0.00 C ATOM 270 O SER A 20 -9.724 2.554 -11.076 1.00 0.00 O ATOM 271 CB SER A 20 -12.095 0.484 -10.487 1.00 0.00 C ATOM 272 OG SER A 20 -12.520 1.582 -11.276 1.00 0.00 O ATOM 0 H SER A 20 -10.529 -0.409 -8.509 1.00 0.00 H new ATOM 0 HA SER A 20 -10.204 0.057 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.506 -0.440 -10.893 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.484 0.588 -9.474 1.00 0.00 H new ATOM 0 HG SER A 20 -13.499 1.617 -11.288 1.00 0.00 H new ATOM 278 N SER A 21 -9.755 2.059 -8.881 1.00 0.00 N ATOM 279 CA SER A 21 -9.194 3.342 -8.471 1.00 0.00 C ATOM 280 C SER A 21 -7.673 3.271 -8.398 1.00 0.00 C ATOM 281 O SER A 21 -7.099 2.197 -8.220 1.00 0.00 O ATOM 282 CB SER A 21 -9.764 3.761 -7.115 1.00 0.00 C ATOM 283 OG SER A 21 -11.076 4.278 -7.251 1.00 0.00 O ATOM 0 H SER A 21 -9.956 1.422 -8.111 1.00 0.00 H new ATOM 0 HA SER A 21 -9.469 4.087 -9.218 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.775 2.904 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.118 4.514 -6.662 1.00 0.00 H new ATOM 0 HG SER A 21 -11.419 4.537 -6.370 1.00 0.00 H new ATOM 289 N ARG A 22 -7.026 4.424 -8.535 1.00 0.00 N ATOM 290 CA ARG A 22 -5.570 4.495 -8.484 1.00 0.00 C ATOM 291 C ARG A 22 -5.112 5.730 -7.715 1.00 0.00 C ATOM 292 O ARG A 22 -5.324 6.860 -8.154 1.00 0.00 O ATOM 293 CB ARG A 22 -4.991 4.517 -9.900 1.00 0.00 C ATOM 294 CG ARG A 22 -5.365 3.301 -10.731 1.00 0.00 C ATOM 295 CD ARG A 22 -5.392 3.628 -12.216 1.00 0.00 C ATOM 296 NE ARG A 22 -6.010 2.561 -13.000 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.396 1.424 -13.304 1.00 0.00 C ATOM 298 NH1 ARG A 22 -4.155 1.205 -12.892 1.00 0.00 N ATOM 299 NH2 ARG A 22 -6.024 0.501 -14.022 1.00 0.00 N ATOM 0 H ARG A 22 -7.487 5.322 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.205 3.610 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.337 5.416 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.905 4.584 -9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.650 2.499 -10.547 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.343 2.933 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.940 4.557 -12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.374 3.795 -12.569 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.965 2.697 -13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.669 1.911 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.686 0.330 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.979 0.665 -14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.552 -0.372 -14.255 1.00 0.00 H new ATOM 313 N ARG A 23 -4.483 5.505 -6.566 1.00 0.00 N ATOM 314 CA ARG A 23 -3.996 6.599 -5.735 1.00 0.00 C ATOM 315 C ARG A 23 -2.513 6.428 -5.423 1.00 0.00 C ATOM 316 O ARG A 23 -2.102 5.422 -4.846 1.00 0.00 O ATOM 317 CB ARG A 23 -4.796 6.675 -4.434 1.00 0.00 C ATOM 318 CG ARG A 23 -4.906 8.081 -3.867 1.00 0.00 C ATOM 319 CD ARG A 23 -3.627 8.498 -3.158 1.00 0.00 C ATOM 320 NE ARG A 23 -3.474 9.949 -3.114 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.328 10.707 -4.196 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.317 10.152 -5.400 1.00 0.00 N ATOM 323 NH2 ARG A 23 -3.194 12.021 -4.074 1.00 0.00 N ATOM 0 H ARG A 23 -4.299 4.575 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.128 7.528 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.798 6.284 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.328 6.029 -3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.122 8.783 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.742 8.129 -3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.630 8.103 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.770 8.058 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.479 10.407 -2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.421 9.142 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.205 10.735 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.203 12.451 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.082 12.602 -4.905 1.00 0.00 H new ATOM 337 N GLY A 24 -1.712 7.416 -5.811 1.00 0.00 N ATOM 338 CA GLY A 24 -0.284 7.354 -5.566 1.00 0.00 C ATOM 339 C GLY A 24 0.104 7.974 -4.238 1.00 0.00 C ATOM 340 O GLY A 24 0.141 9.198 -4.103 1.00 0.00 O ATOM 0 H GLY A 24 -2.028 8.259 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.040 6.313 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.242 7.867 -6.371 1.00 0.00 H new ATOM 344 N VAL A 25 0.392 7.130 -3.253 1.00 0.00 N ATOM 345 CA VAL A 25 0.778 7.602 -1.929 1.00 0.00 C ATOM 346 C VAL A 25 2.272 7.414 -1.692 1.00 0.00 C ATOM 347 O VAL A 25 2.883 6.487 -2.222 1.00 0.00 O ATOM 348 CB VAL A 25 -0.003 6.868 -0.822 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.274 7.499 0.535 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.492 6.873 -1.128 1.00 0.00 C ATOM 0 H VAL A 25 0.365 6.115 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 25 0.538 8.665 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 25 0.334 5.832 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.286 6.968 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.340 7.437 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.033 8.545 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.028 6.350 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.847 7.902 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.670 6.371 -2.079 1.00 0.00 H new ATOM 360 N MET A 26 2.855 8.302 -0.893 1.00 0.00 N ATOM 361 CA MET A 26 4.279 8.233 -0.584 1.00 0.00 C ATOM 362 C MET A 26 4.507 8.178 0.923 1.00 0.00 C ATOM 363 O MET A 26 4.032 9.039 1.664 1.00 0.00 O ATOM 364 CB MET A 26 5.010 9.438 -1.179 1.00 0.00 C ATOM 365 CG MET A 26 5.107 9.402 -2.695 1.00 0.00 C ATOM 366 SD MET A 26 6.559 10.268 -3.320 1.00 0.00 S ATOM 367 CE MET A 26 7.843 9.068 -2.976 1.00 0.00 C ATOM 0 H MET A 26 2.364 9.077 -0.448 1.00 0.00 H new ATOM 0 HA MET A 26 4.678 7.320 -1.027 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.495 10.350 -0.878 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.015 9.486 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.136 8.365 -3.029 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.210 9.849 -3.123 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.801 9.578 -2.878 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.614 8.546 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.897 8.348 -3.793 1.00 0.00 H new ATOM 377 N ALA A 27 5.235 7.160 1.371 1.00 0.00 N ATOM 378 CA ALA A 27 5.526 6.996 2.789 1.00 0.00 C ATOM 379 C ALA A 27 6.898 6.364 2.998 1.00 0.00 C ATOM 380 O ALA A 27 7.393 5.634 2.138 1.00 0.00 O ATOM 381 CB ALA A 27 4.448 6.154 3.455 1.00 0.00 C ATOM 0 H ALA A 27 5.634 6.437 0.772 1.00 0.00 H new ATOM 0 HA ALA A 27 5.536 7.984 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.678 6.040 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.482 6.646 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.410 5.172 2.984 1.00 0.00 H new ATOM 387 N SER A 28 7.507 6.648 4.145 1.00 0.00 N ATOM 388 CA SER A 28 8.825 6.110 4.464 1.00 0.00 C ATOM 389 C SER A 28 8.722 4.658 4.922 1.00 0.00 C ATOM 390 O SER A 28 9.571 3.830 4.591 1.00 0.00 O ATOM 391 CB SER A 28 9.494 6.954 5.550 1.00 0.00 C ATOM 392 OG SER A 28 10.711 6.366 5.976 1.00 0.00 O ATOM 0 H SER A 28 7.109 7.247 4.868 1.00 0.00 H new ATOM 0 HA SER A 28 9.434 6.145 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.685 7.957 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.820 7.059 6.400 1.00 0.00 H new ATOM 0 HG SER A 28 11.120 6.925 6.669 1.00 0.00 H new ATOM 398 N SER A 29 7.677 4.358 5.687 1.00 0.00 N ATOM 399 CA SER A 29 7.464 3.007 6.195 1.00 0.00 C ATOM 400 C SER A 29 6.082 2.492 5.805 1.00 0.00 C ATOM 401 O SER A 29 5.335 3.162 5.091 1.00 0.00 O ATOM 402 CB SER A 29 7.622 2.982 7.716 1.00 0.00 C ATOM 403 OG SER A 29 8.651 3.861 8.137 1.00 0.00 O ATOM 0 H SER A 29 6.965 5.032 5.969 1.00 0.00 H new ATOM 0 HA SER A 29 8.214 2.354 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.681 3.267 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.849 1.968 8.044 1.00 0.00 H new ATOM 0 HG SER A 29 8.731 3.828 9.113 1.00 0.00 H new ATOM 409 N LEU A 30 5.748 1.298 6.282 1.00 0.00 N ATOM 410 CA LEU A 30 4.455 0.691 5.986 1.00 0.00 C ATOM 411 C LEU A 30 3.341 1.368 6.779 1.00 0.00 C ATOM 412 O LEU A 30 2.432 1.965 6.205 1.00 0.00 O ATOM 413 CB LEU A 30 4.487 -0.805 6.302 1.00 0.00 C ATOM 414 CG LEU A 30 3.142 -1.530 6.252 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.743 -1.817 4.812 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.202 -2.821 7.058 1.00 0.00 C ATOM 0 H LEU A 30 6.354 0.731 6.875 1.00 0.00 H new ATOM 0 HA LEU A 30 4.252 0.826 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.165 -1.290 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.911 -0.937 7.297 1.00 0.00 H new ATOM 0 HG LEU A 30 2.385 -0.883 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.783 -2.333 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.659 -0.879 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.500 -2.445 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.236 -3.324 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.971 -3.473 6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.442 -2.591 8.096 1.00 0.00 H new ATOM 428 N GLN A 31 3.421 1.269 8.103 1.00 0.00 N ATOM 429 CA GLN A 31 2.421 1.872 8.974 1.00 0.00 C ATOM 430 C GLN A 31 2.060 3.277 8.500 1.00 0.00 C ATOM 431 O GLN A 31 0.891 3.661 8.500 1.00 0.00 O ATOM 432 CB GLN A 31 2.932 1.924 10.415 1.00 0.00 C ATOM 433 CG GLN A 31 1.889 2.393 11.416 1.00 0.00 C ATOM 434 CD GLN A 31 1.039 1.257 11.948 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.341 0.677 12.992 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.032 0.933 11.233 1.00 0.00 N ATOM 0 H GLN A 31 4.168 0.777 8.594 1.00 0.00 H new ATOM 0 HA GLN A 31 1.524 1.253 8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.280 0.932 10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.793 2.590 10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.387 2.890 12.249 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.244 3.134 10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.244 1.440 10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.642 0.177 11.543 1.00 0.00 H new ATOM 445 N GLU A 32 3.073 4.038 8.097 1.00 0.00 N ATOM 446 CA GLU A 32 2.862 5.400 7.622 1.00 0.00 C ATOM 447 C GLU A 32 2.022 5.407 6.347 1.00 0.00 C ATOM 448 O GLU A 32 1.095 6.206 6.205 1.00 0.00 O ATOM 449 CB GLU A 32 4.203 6.088 7.365 1.00 0.00 C ATOM 450 CG GLU A 32 4.073 7.549 6.969 1.00 0.00 C ATOM 451 CD GLU A 32 5.285 8.370 7.360 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.349 8.821 8.523 1.00 0.00 O ATOM 453 OE2 GLU A 32 6.173 8.562 6.502 1.00 0.00 O ATOM 0 H GLU A 32 4.047 3.735 8.090 1.00 0.00 H new ATOM 0 HA GLU A 32 2.323 5.948 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.816 6.017 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.731 5.552 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.925 7.617 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.185 7.971 7.440 1.00 0.00 H new ATOM 460 N LEU A 33 2.353 4.512 5.422 1.00 0.00 N ATOM 461 CA LEU A 33 1.630 4.415 4.159 1.00 0.00 C ATOM 462 C LEU A 33 0.142 4.181 4.399 1.00 0.00 C ATOM 463 O LEU A 33 -0.685 5.050 4.121 1.00 0.00 O ATOM 464 CB LEU A 33 2.204 3.282 3.306 1.00 0.00 C ATOM 465 CG LEU A 33 1.439 2.952 2.025 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.579 4.078 1.013 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.929 1.637 1.434 1.00 0.00 C ATOM 0 H LEU A 33 3.117 3.844 5.523 1.00 0.00 H new ATOM 0 HA LEU A 33 1.749 5.359 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.228 3.540 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.252 2.382 3.919 1.00 0.00 H new ATOM 0 HG LEU A 33 0.383 2.845 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.027 3.824 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.178 4.999 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.632 4.219 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.373 1.418 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.991 1.716 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.774 0.834 2.155 1.00 0.00 H new ATOM 479 N ILE A 34 -0.190 3.006 4.921 1.00 0.00 N ATOM 480 CA ILE A 34 -1.579 2.660 5.201 1.00 0.00 C ATOM 481 C ILE A 34 -2.327 3.841 5.810 1.00 0.00 C ATOM 482 O ILE A 34 -3.186 4.443 5.168 1.00 0.00 O ATOM 483 CB ILE A 34 -1.676 1.456 6.157 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.097 0.204 5.496 1.00 0.00 C ATOM 485 CG2 ILE A 34 -3.123 1.223 6.568 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.584 -0.818 6.486 1.00 0.00 C ATOM 0 H ILE A 34 0.483 2.277 5.159 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.038 2.395 4.248 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.094 1.673 7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.865 -0.257 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.283 0.496 4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.176 0.369 7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.505 2.110 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.725 1.023 5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.188 -1.679 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.206 -0.374 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.400 -1.139 7.134 1.00 0.00 H new ATOM 498 N SER A 35 -1.991 4.169 7.054 1.00 0.00 N ATOM 499 CA SER A 35 -2.633 5.277 7.752 1.00 0.00 C ATOM 500 C SER A 35 -2.979 6.403 6.782 1.00 0.00 C ATOM 501 O SER A 35 -4.130 6.830 6.693 1.00 0.00 O ATOM 502 CB SER A 35 -1.720 5.807 8.860 1.00 0.00 C ATOM 503 OG SER A 35 -2.279 6.953 9.476 1.00 0.00 O ATOM 0 H SER A 35 -1.278 3.683 7.599 1.00 0.00 H new ATOM 0 HA SER A 35 -3.557 4.907 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.561 5.030 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.743 6.054 8.444 1.00 0.00 H new ATOM 0 HG SER A 35 -1.678 7.271 10.181 1.00 0.00 H new ATOM 509 N LYS A 36 -1.973 6.878 6.055 1.00 0.00 N ATOM 510 CA LYS A 36 -2.169 7.953 5.089 1.00 0.00 C ATOM 511 C LYS A 36 -3.164 7.540 4.009 1.00 0.00 C ATOM 512 O LYS A 36 -4.025 8.325 3.610 1.00 0.00 O ATOM 513 CB LYS A 36 -0.834 8.339 4.448 1.00 0.00 C ATOM 514 CG LYS A 36 0.022 9.240 5.321 1.00 0.00 C ATOM 515 CD LYS A 36 1.225 9.773 4.561 1.00 0.00 C ATOM 516 CE LYS A 36 2.177 8.653 4.167 1.00 0.00 C ATOM 517 NZ LYS A 36 1.826 8.067 2.844 1.00 0.00 N ATOM 0 H LYS A 36 -1.014 6.536 6.116 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.573 8.815 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.275 7.432 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.027 8.842 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.579 10.074 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.360 8.686 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.888 10.297 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.753 10.501 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.197 9.037 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.154 7.873 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.518 7.082 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.056 8.618 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.659 8.091 2.222 1.00 0.00 H new ATOM 531 N THR A 37 -3.041 6.302 3.539 1.00 0.00 N ATOM 532 CA THR A 37 -3.928 5.784 2.505 1.00 0.00 C ATOM 533 C THR A 37 -5.389 6.051 2.851 1.00 0.00 C ATOM 534 O THR A 37 -6.120 6.664 2.071 1.00 0.00 O ATOM 535 CB THR A 37 -3.729 4.271 2.300 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.369 3.999 1.946 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.656 3.746 1.214 1.00 0.00 C ATOM 0 H THR A 37 -2.335 5.639 3.859 1.00 0.00 H new ATOM 0 HA THR A 37 -3.675 6.304 1.581 1.00 0.00 H new ATOM 0 HB THR A 37 -3.968 3.765 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.786 4.205 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.498 2.675 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.692 3.928 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.444 4.258 0.276 1.00 0.00 H new ATOM 545 N LEU A 38 -5.808 5.590 4.024 1.00 0.00 N ATOM 546 CA LEU A 38 -7.182 5.780 4.474 1.00 0.00 C ATOM 547 C LEU A 38 -7.678 7.181 4.134 1.00 0.00 C ATOM 548 O LEU A 38 -8.823 7.363 3.721 1.00 0.00 O ATOM 549 CB LEU A 38 -7.283 5.544 5.982 1.00 0.00 C ATOM 550 CG LEU A 38 -7.400 4.084 6.426 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.776 3.893 7.800 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.857 3.645 6.434 1.00 0.00 C ATOM 0 H LEU A 38 -5.216 5.082 4.681 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.811 5.056 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.404 5.978 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.150 6.088 6.358 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.858 3.462 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.868 2.849 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.722 4.168 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.290 4.525 8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.922 2.604 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.422 4.271 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.272 3.744 5.431 1.00 0.00 H new ATOM 564 N ASP A 39 -6.807 8.170 4.307 1.00 0.00 N ATOM 565 CA ASP A 39 -7.155 9.555 4.015 1.00 0.00 C ATOM 566 C ASP A 39 -7.309 9.772 2.513 1.00 0.00 C ATOM 567 O ASP A 39 -8.342 10.253 2.048 1.00 0.00 O ATOM 568 CB ASP A 39 -6.088 10.500 4.572 1.00 0.00 C ATOM 569 CG ASP A 39 -6.578 11.931 4.672 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.548 12.176 5.420 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.990 12.806 4.004 1.00 0.00 O ATOM 0 H ASP A 39 -5.855 8.037 4.648 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.109 9.773 4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.780 10.155 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.206 10.465 3.933 1.00 0.00 H new ATOM 576 N ALA A 40 -6.274 9.416 1.760 1.00 0.00 N ATOM 577 CA ALA A 40 -6.296 9.569 0.310 1.00 0.00 C ATOM 578 C ALA A 40 -7.557 8.957 -0.289 1.00 0.00 C ATOM 579 O ALA A 40 -8.326 9.636 -0.970 1.00 0.00 O ATOM 580 CB ALA A 40 -5.056 8.938 -0.306 1.00 0.00 C ATOM 0 H ALA A 40 -5.410 9.020 2.129 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.299 10.635 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.086 9.060 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.165 9.425 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.028 7.876 -0.061 1.00 0.00 H new ATOM 586 N LEU A 41 -7.763 7.670 -0.032 1.00 0.00 N ATOM 587 CA LEU A 41 -8.933 6.966 -0.546 1.00 0.00 C ATOM 588 C LEU A 41 -10.209 7.466 0.124 1.00 0.00 C ATOM 589 O LEU A 41 -11.316 7.122 -0.292 1.00 0.00 O ATOM 590 CB LEU A 41 -8.783 5.460 -0.326 1.00 0.00 C ATOM 591 CG LEU A 41 -8.106 4.679 -1.453 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.787 3.262 -1.004 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.988 4.662 -2.693 1.00 0.00 C ATOM 0 H LEU A 41 -7.136 7.093 0.529 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.006 7.165 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.214 5.302 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.774 5.037 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.170 5.177 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.306 2.722 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.117 3.295 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.709 2.752 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.491 4.102 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.940 4.188 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.165 5.684 -3.027 1.00 0.00 H new ATOM 605 N VAL A 42 -10.046 8.280 1.161 1.00 0.00 N ATOM 606 CA VAL A 42 -11.184 8.830 1.887 1.00 0.00 C ATOM 607 C VAL A 42 -12.167 7.733 2.282 1.00 0.00 C ATOM 608 O VAL A 42 -13.373 7.858 2.064 1.00 0.00 O ATOM 609 CB VAL A 42 -11.925 9.890 1.050 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.892 10.679 1.920 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.932 10.818 0.367 1.00 0.00 C ATOM 0 H VAL A 42 -9.137 8.573 1.518 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.787 9.300 2.787 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.502 9.380 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.406 11.423 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.624 10.000 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.340 11.180 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.472 11.561 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.327 11.322 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.284 10.238 -0.290 1.00 0.00 H new ATOM 621 N ILE A 43 -11.643 6.660 2.864 1.00 0.00 N ATOM 622 CA ILE A 43 -12.475 5.541 3.291 1.00 0.00 C ATOM 623 C ILE A 43 -13.367 5.935 4.463 1.00 0.00 C ATOM 624 O ILE A 43 -12.952 6.681 5.349 1.00 0.00 O ATOM 625 CB ILE A 43 -11.619 4.327 3.697 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.724 3.893 2.534 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.510 3.177 4.143 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.649 2.907 2.933 1.00 0.00 C ATOM 0 H ILE A 43 -10.647 6.541 3.051 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.098 5.268 2.440 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.982 4.614 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.344 3.447 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.253 4.775 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.891 2.326 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.109 3.491 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.169 2.889 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.054 2.644 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.005 3.357 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.113 2.008 3.340 1.00 0.00 H new ATOM 640 N ALA A 44 -14.595 5.427 4.462 1.00 0.00 N ATOM 641 CA ALA A 44 -15.545 5.723 5.527 1.00 0.00 C ATOM 642 C ALA A 44 -15.128 5.057 6.834 1.00 0.00 C ATOM 643 O ALA A 44 -15.071 5.702 7.881 1.00 0.00 O ATOM 644 CB ALA A 44 -16.943 5.276 5.127 1.00 0.00 C ATOM 0 H ALA A 44 -14.955 4.808 3.735 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.552 6.801 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.642 5.503 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.248 5.802 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.942 4.202 4.940 1.00 0.00 H new ATOM 650 N THR A 45 -14.840 3.760 6.768 1.00 0.00 N ATOM 651 CA THR A 45 -14.431 3.007 7.945 1.00 0.00 C ATOM 652 C THR A 45 -12.914 2.867 8.010 1.00 0.00 C ATOM 653 O THR A 45 -12.226 3.000 6.999 1.00 0.00 O ATOM 654 CB THR A 45 -15.065 1.603 7.963 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.755 0.941 9.194 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.567 0.769 6.792 1.00 0.00 C ATOM 0 H THR A 45 -14.883 3.210 5.910 1.00 0.00 H new ATOM 0 HA THR A 45 -14.779 3.566 8.813 1.00 0.00 H new ATOM 0 HB THR A 45 -16.146 1.715 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.163 0.050 9.198 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.028 -0.218 6.826 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.832 1.261 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.484 0.665 6.854 1.00 0.00 H new ATOM 664 N GLY A 46 -12.400 2.597 9.206 1.00 0.00 N ATOM 665 CA GLY A 46 -10.967 2.443 9.379 1.00 0.00 C ATOM 666 C GLY A 46 -10.520 1.000 9.258 1.00 0.00 C ATOM 667 O GLY A 46 -9.487 0.710 8.652 1.00 0.00 O ATOM 0 H GLY A 46 -12.950 2.482 10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.447 3.045 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.679 2.829 10.357 1.00 0.00 H new ATOM 671 N LEU A 47 -11.296 0.091 9.838 1.00 0.00 N ATOM 672 CA LEU A 47 -10.975 -1.331 9.794 1.00 0.00 C ATOM 673 C LEU A 47 -10.734 -1.790 8.360 1.00 0.00 C ATOM 674 O LEU A 47 -11.675 -2.094 7.627 1.00 0.00 O ATOM 675 CB LEU A 47 -12.105 -2.149 10.421 1.00 0.00 C ATOM 676 CG LEU A 47 -11.768 -3.599 10.774 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.350 -4.368 9.531 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.671 -3.649 11.828 1.00 0.00 C ATOM 0 H LEU A 47 -12.153 0.314 10.345 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.060 -1.490 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.433 -1.642 11.328 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.950 -2.151 9.733 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.661 -4.070 11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.114 -5.397 9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.165 -4.361 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.470 -3.898 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.444 -4.688 12.067 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.775 -3.161 11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.008 -3.134 12.728 1.00 0.00 H new ATOM 690 N VAL A 48 -9.464 -1.842 7.966 1.00 0.00 N ATOM 691 CA VAL A 48 -9.099 -2.268 6.621 1.00 0.00 C ATOM 692 C VAL A 48 -7.849 -3.141 6.642 1.00 0.00 C ATOM 693 O VAL A 48 -7.284 -3.411 7.702 1.00 0.00 O ATOM 694 CB VAL A 48 -8.853 -1.061 5.697 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.108 -0.208 5.587 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.680 -0.234 6.201 1.00 0.00 C ATOM 0 H VAL A 48 -8.672 -1.594 8.560 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.937 -2.847 6.234 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.606 -1.432 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.915 0.640 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.921 -0.807 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.389 0.155 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.521 0.615 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.895 0.128 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.782 -0.852 6.223 1.00 0.00 H new ATOM 706 N THR A 49 -7.420 -3.579 5.462 1.00 0.00 N ATOM 707 CA THR A 49 -6.237 -4.423 5.344 1.00 0.00 C ATOM 708 C THR A 49 -5.530 -4.196 4.013 1.00 0.00 C ATOM 709 O THR A 49 -6.138 -4.316 2.947 1.00 0.00 O ATOM 710 CB THR A 49 -6.594 -5.915 5.475 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.187 -6.167 6.754 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.359 -6.785 5.303 1.00 0.00 C ATOM 0 H THR A 49 -7.874 -3.363 4.575 1.00 0.00 H new ATOM 0 HA THR A 49 -5.569 -4.145 6.159 1.00 0.00 H new ATOM 0 HB THR A 49 -7.307 -6.165 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.412 -7.118 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.637 -7.835 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.927 -6.613 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.626 -6.532 6.069 1.00 0.00 H new ATOM 720 N LEU A 50 -4.245 -3.868 4.079 1.00 0.00 N ATOM 721 CA LEU A 50 -3.455 -3.625 2.876 1.00 0.00 C ATOM 722 C LEU A 50 -2.725 -4.891 2.440 1.00 0.00 C ATOM 723 O LEU A 50 -2.089 -5.564 3.251 1.00 0.00 O ATOM 724 CB LEU A 50 -2.447 -2.501 3.123 1.00 0.00 C ATOM 725 CG LEU A 50 -1.889 -1.814 1.876 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.903 -0.832 1.308 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.581 -1.107 2.196 1.00 0.00 C ATOM 0 H LEU A 50 -3.727 -3.764 4.952 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.135 -3.326 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.922 -1.745 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.612 -2.908 3.694 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.691 -2.577 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.488 -0.353 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.815 -1.365 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.133 -0.073 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.199 -0.624 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.753 -0.355 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.147 -1.834 2.555 1.00 0.00 H new ATOM 739 N VAL A 51 -2.818 -5.208 1.152 1.00 0.00 N ATOM 740 CA VAL A 51 -2.163 -6.391 0.607 1.00 0.00 C ATOM 741 C VAL A 51 -1.511 -6.087 -0.738 1.00 0.00 C ATOM 742 O VAL A 51 -1.627 -4.978 -1.260 1.00 0.00 O ATOM 743 CB VAL A 51 -3.159 -7.553 0.431 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.888 -7.833 1.736 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.146 -7.245 -0.685 1.00 0.00 C ATOM 0 H VAL A 51 -3.341 -4.662 0.467 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.395 -6.686 1.322 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.601 -8.448 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.587 -8.657 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.165 -8.101 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.435 -6.942 2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.842 -8.077 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.700 -6.338 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.604 -7.099 -1.620 1.00 0.00 H new ATOM 755 N LEU A 52 -0.826 -7.080 -1.294 1.00 0.00 N ATOM 756 CA LEU A 52 -0.155 -6.920 -2.579 1.00 0.00 C ATOM 757 C LEU A 52 -1.115 -7.189 -3.733 1.00 0.00 C ATOM 758 O LEU A 52 -1.694 -8.271 -3.833 1.00 0.00 O ATOM 759 CB LEU A 52 1.045 -7.864 -2.671 1.00 0.00 C ATOM 760 CG LEU A 52 1.998 -7.857 -1.475 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.984 -9.012 -1.571 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.736 -6.530 -1.388 1.00 0.00 C ATOM 0 H LEU A 52 -0.721 -8.004 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 52 0.193 -5.890 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.673 -8.879 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.614 -7.610 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 52 1.410 -7.983 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.654 -8.991 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.439 -9.956 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.566 -8.918 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.409 -6.544 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.312 -6.374 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.016 -5.720 -1.271 1.00 0.00 H new ATOM 774 N GLU A 53 -1.280 -6.196 -4.603 1.00 0.00 N ATOM 775 CA GLU A 53 -2.171 -6.327 -5.750 1.00 0.00 C ATOM 776 C GLU A 53 -1.774 -7.521 -6.614 1.00 0.00 C ATOM 777 O GLU A 53 -2.573 -8.020 -7.405 1.00 0.00 O ATOM 778 CB GLU A 53 -2.150 -5.048 -6.588 1.00 0.00 C ATOM 779 CG GLU A 53 -1.097 -5.054 -7.684 1.00 0.00 C ATOM 780 CD GLU A 53 0.309 -5.226 -7.141 1.00 0.00 C ATOM 781 OE1 GLU A 53 0.504 -5.019 -5.926 1.00 0.00 O ATOM 782 OE2 GLU A 53 1.212 -5.568 -7.933 1.00 0.00 O ATOM 0 H GLU A 53 -0.809 -5.294 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.182 -6.491 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.131 -4.904 -7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.973 -4.196 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.313 -5.860 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.155 -4.120 -8.243 1.00 0.00 H new ATOM 789 N GLU A 54 -0.534 -7.972 -6.455 1.00 0.00 N ATOM 790 CA GLU A 54 -0.030 -9.106 -7.222 1.00 0.00 C ATOM 791 C GLU A 54 -0.892 -10.343 -6.993 1.00 0.00 C ATOM 792 O GLU A 54 -1.431 -10.921 -7.937 1.00 0.00 O ATOM 793 CB GLU A 54 1.422 -9.404 -6.840 1.00 0.00 C ATOM 794 CG GLU A 54 1.621 -9.653 -5.354 1.00 0.00 C ATOM 795 CD GLU A 54 3.045 -9.394 -4.905 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.437 -8.211 -4.831 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.768 -10.374 -4.626 1.00 0.00 O ATOM 0 H GLU A 54 0.140 -7.570 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.073 -8.845 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.763 -10.278 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.049 -8.567 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.944 -9.013 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.353 -10.684 -5.123 1.00 0.00 H new ATOM 804 N ASP A 55 -1.018 -10.745 -5.733 1.00 0.00 N ATOM 805 CA ASP A 55 -1.815 -11.914 -5.379 1.00 0.00 C ATOM 806 C ASP A 55 -2.818 -11.574 -4.280 1.00 0.00 C ATOM 807 O ASP A 55 -3.856 -12.222 -4.151 1.00 0.00 O ATOM 808 CB ASP A 55 -0.907 -13.057 -4.923 1.00 0.00 C ATOM 809 CG ASP A 55 -0.316 -12.814 -3.548 1.00 0.00 C ATOM 810 OD1 ASP A 55 -1.094 -12.713 -2.576 1.00 0.00 O ATOM 811 OD2 ASP A 55 0.925 -12.724 -3.444 1.00 0.00 O ATOM 0 H ASP A 55 -0.578 -10.279 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.366 -12.230 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.476 -13.987 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.100 -13.186 -5.644 1.00 0.00 H new ATOM 816 N GLY A 56 -2.500 -10.553 -3.489 1.00 0.00 N ATOM 817 CA GLY A 56 -3.382 -10.147 -2.412 1.00 0.00 C ATOM 818 C GLY A 56 -2.804 -10.448 -1.043 1.00 0.00 C ATOM 819 O GLY A 56 -3.539 -10.570 -0.062 1.00 0.00 O ATOM 0 H GLY A 56 -1.647 -10.000 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.580 -9.078 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.339 -10.657 -2.519 1.00 0.00 H new ATOM 823 N THR A 57 -1.482 -10.571 -0.976 1.00 0.00 N ATOM 824 CA THR A 57 -0.805 -10.862 0.282 1.00 0.00 C ATOM 825 C THR A 57 -0.810 -9.648 1.203 1.00 0.00 C ATOM 826 O THR A 57 -0.343 -8.572 0.831 1.00 0.00 O ATOM 827 CB THR A 57 0.651 -11.308 0.046 1.00 0.00 C ATOM 828 OG1 THR A 57 0.692 -12.343 -0.942 1.00 0.00 O ATOM 829 CG2 THR A 57 1.280 -11.809 1.337 1.00 0.00 C ATOM 0 H THR A 57 -0.859 -10.474 -1.778 1.00 0.00 H new ATOM 0 HA THR A 57 -1.354 -11.676 0.756 1.00 0.00 H new ATOM 0 HB THR A 57 1.219 -10.447 -0.306 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.207 -12.711 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.307 -12.118 1.145 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.274 -11.010 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.710 -12.658 1.714 1.00 0.00 H new ATOM 837 N VAL A 58 -1.339 -9.829 2.409 1.00 0.00 N ATOM 838 CA VAL A 58 -1.403 -8.747 3.385 1.00 0.00 C ATOM 839 C VAL A 58 -0.022 -8.437 3.951 1.00 0.00 C ATOM 840 O VAL A 58 0.686 -9.329 4.416 1.00 0.00 O ATOM 841 CB VAL A 58 -2.355 -9.094 4.546 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.895 -10.359 5.254 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.451 -7.931 5.521 1.00 0.00 C ATOM 0 H VAL A 58 -1.729 -10.714 2.734 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.784 -7.870 2.862 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.348 -9.277 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.579 -10.588 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.884 -11.188 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.892 -10.208 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.127 -8.193 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.463 -7.714 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.832 -7.051 5.002 1.00 0.00 H new ATOM 853 N VAL A 59 0.356 -7.162 3.910 1.00 0.00 N ATOM 854 CA VAL A 59 1.651 -6.731 4.421 1.00 0.00 C ATOM 855 C VAL A 59 1.504 -5.999 5.749 1.00 0.00 C ATOM 856 O VAL A 59 1.224 -4.800 5.781 1.00 0.00 O ATOM 857 CB VAL A 59 2.372 -5.813 3.417 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.711 -5.356 3.978 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.558 -6.521 2.084 1.00 0.00 C ATOM 0 H VAL A 59 -0.218 -6.410 3.528 1.00 0.00 H new ATOM 0 HA VAL A 59 2.247 -7.631 4.572 1.00 0.00 H new ATOM 0 HB VAL A 59 1.754 -4.931 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.206 -4.708 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.549 -4.807 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.338 -6.225 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.069 -5.857 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.154 -7.422 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.584 -6.793 1.677 1.00 0.00 H new ATOM 869 N ASP A 60 1.693 -6.726 6.844 1.00 0.00 N ATOM 870 CA ASP A 60 1.582 -6.145 8.177 1.00 0.00 C ATOM 871 C ASP A 60 2.938 -6.121 8.874 1.00 0.00 C ATOM 872 O ASP A 60 3.019 -6.175 10.102 1.00 0.00 O ATOM 873 CB ASP A 60 0.576 -6.933 9.018 1.00 0.00 C ATOM 874 CG ASP A 60 -0.127 -6.065 10.043 1.00 0.00 C ATOM 875 OD1 ASP A 60 0.564 -5.513 10.927 1.00 0.00 O ATOM 876 OD2 ASP A 60 -1.366 -5.938 9.964 1.00 0.00 O ATOM 0 H ASP A 60 1.924 -7.719 6.835 1.00 0.00 H new ATOM 0 HA ASP A 60 1.230 -5.119 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.166 -7.387 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.092 -7.747 9.528 1.00 0.00 H new ATOM 881 N THR A 61 4.003 -6.039 8.083 1.00 0.00 N ATOM 882 CA THR A 61 5.356 -6.011 8.623 1.00 0.00 C ATOM 883 C THR A 61 6.180 -4.899 7.983 1.00 0.00 C ATOM 884 O THR A 61 5.955 -4.533 6.830 1.00 0.00 O ATOM 885 CB THR A 61 6.076 -7.356 8.408 1.00 0.00 C ATOM 886 OG1 THR A 61 5.783 -7.865 7.102 1.00 0.00 O ATOM 887 CG2 THR A 61 5.653 -8.369 9.460 1.00 0.00 C ATOM 0 H THR A 61 3.954 -5.991 7.065 1.00 0.00 H new ATOM 0 HA THR A 61 5.265 -5.824 9.693 1.00 0.00 H new ATOM 0 HB THR A 61 7.149 -7.188 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.110 -8.786 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.174 -9.311 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.904 -7.991 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.577 -8.532 9.396 1.00 0.00 H new ATOM 895 N GLU A 62 7.134 -4.366 8.740 1.00 0.00 N ATOM 896 CA GLU A 62 7.991 -3.296 8.245 1.00 0.00 C ATOM 897 C GLU A 62 9.144 -3.858 7.419 1.00 0.00 C ATOM 898 O GLU A 62 9.548 -3.271 6.416 1.00 0.00 O ATOM 899 CB GLU A 62 8.540 -2.471 9.412 1.00 0.00 C ATOM 900 CG GLU A 62 9.594 -1.458 8.998 1.00 0.00 C ATOM 901 CD GLU A 62 9.839 -0.405 10.061 1.00 0.00 C ATOM 902 OE1 GLU A 62 9.993 -0.779 11.242 1.00 0.00 O ATOM 903 OE2 GLU A 62 9.877 0.794 9.712 1.00 0.00 O ATOM 0 H GLU A 62 7.332 -4.658 9.697 1.00 0.00 H new ATOM 0 HA GLU A 62 7.389 -2.652 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.715 -1.948 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.968 -3.146 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.528 -1.978 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.282 -0.971 8.074 1.00 0.00 H new ATOM 910 N GLU A 63 9.671 -5.001 7.850 1.00 0.00 N ATOM 911 CA GLU A 63 10.778 -5.643 7.151 1.00 0.00 C ATOM 912 C GLU A 63 10.358 -6.079 5.750 1.00 0.00 C ATOM 913 O GLU A 63 11.155 -6.051 4.813 1.00 0.00 O ATOM 914 CB GLU A 63 11.279 -6.851 7.944 1.00 0.00 C ATOM 915 CG GLU A 63 11.710 -6.512 9.362 1.00 0.00 C ATOM 916 CD GLU A 63 12.805 -7.427 9.872 1.00 0.00 C ATOM 917 OE1 GLU A 63 12.475 -8.516 10.388 1.00 0.00 O ATOM 918 OE2 GLU A 63 13.992 -7.056 9.759 1.00 0.00 O ATOM 0 H GLU A 63 9.349 -5.500 8.679 1.00 0.00 H new ATOM 0 HA GLU A 63 11.586 -4.917 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.490 -7.602 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.120 -7.299 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.059 -5.480 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.848 -6.578 10.026 1.00 0.00 H new ATOM 925 N PHE A 64 9.098 -6.483 5.616 1.00 0.00 N ATOM 926 CA PHE A 64 8.571 -6.928 4.331 1.00 0.00 C ATOM 927 C PHE A 64 8.213 -5.735 3.448 1.00 0.00 C ATOM 928 O PHE A 64 8.179 -5.844 2.223 1.00 0.00 O ATOM 929 CB PHE A 64 7.340 -7.811 4.539 1.00 0.00 C ATOM 930 CG PHE A 64 6.871 -8.492 3.285 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.781 -9.074 2.416 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.522 -8.551 2.975 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.353 -9.702 1.262 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.090 -9.177 1.821 1.00 0.00 C ATOM 935 CZ PHE A 64 6.006 -9.752 0.963 1.00 0.00 C ATOM 0 H PHE A 64 8.424 -6.511 6.381 1.00 0.00 H new ATOM 0 HA PHE A 64 9.345 -7.509 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.568 -8.567 5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.529 -7.201 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.836 -9.036 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.800 -8.103 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.072 -10.154 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.036 -9.216 1.590 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.670 -10.240 0.060 1.00 0.00 H new ATOM 945 N PHE A 65 7.946 -4.597 4.081 1.00 0.00 N ATOM 946 CA PHE A 65 7.589 -3.384 3.355 1.00 0.00 C ATOM 947 C PHE A 65 8.837 -2.664 2.852 1.00 0.00 C ATOM 948 O PHE A 65 8.825 -2.057 1.781 1.00 0.00 O ATOM 949 CB PHE A 65 6.773 -2.451 4.251 1.00 0.00 C ATOM 950 CG PHE A 65 6.830 -1.011 3.825 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.955 -0.244 4.078 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.758 -0.426 3.171 1.00 0.00 C ATOM 953 CE1 PHE A 65 8.009 1.081 3.689 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.807 0.898 2.777 1.00 0.00 C ATOM 955 CZ PHE A 65 6.935 1.653 3.036 1.00 0.00 C ATOM 0 H PHE A 65 7.970 -4.490 5.095 1.00 0.00 H new ATOM 0 HA PHE A 65 6.985 -3.669 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.734 -2.780 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.137 -2.534 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.800 -0.686 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.874 -1.011 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.891 1.669 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.965 1.342 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.977 2.687 2.729 1.00 0.00 H new ATOM 965 N GLN A 66 9.910 -2.737 3.632 1.00 0.00 N ATOM 966 CA GLN A 66 11.165 -2.091 3.267 1.00 0.00 C ATOM 967 C GLN A 66 11.836 -2.823 2.109 1.00 0.00 C ATOM 968 O GLN A 66 12.633 -2.242 1.371 1.00 0.00 O ATOM 969 CB GLN A 66 12.107 -2.042 4.471 1.00 0.00 C ATOM 970 CG GLN A 66 11.640 -1.103 5.571 1.00 0.00 C ATOM 971 CD GLN A 66 11.996 0.344 5.294 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.117 0.653 4.889 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.040 1.241 5.512 1.00 0.00 N ATOM 0 H GLN A 66 9.936 -3.237 4.521 1.00 0.00 H new ATOM 0 HA GLN A 66 10.942 -1.073 2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.211 -3.046 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.096 -1.731 4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.560 -1.192 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.086 -1.408 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.125 0.940 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.221 2.231 5.343 1.00 0.00 H new ATOM 982 N THR A 67 11.511 -4.102 1.956 1.00 0.00 N ATOM 983 CA THR A 67 12.084 -4.914 0.890 1.00 0.00 C ATOM 984 C THR A 67 11.428 -4.602 -0.452 1.00 0.00 C ATOM 985 O THR A 67 12.086 -4.613 -1.493 1.00 0.00 O ATOM 986 CB THR A 67 11.932 -6.418 1.185 1.00 0.00 C ATOM 987 OG1 THR A 67 10.548 -6.748 1.347 1.00 0.00 O ATOM 988 CG2 THR A 67 12.701 -6.804 2.440 1.00 0.00 C ATOM 0 H THR A 67 10.853 -4.599 2.557 1.00 0.00 H new ATOM 0 HA THR A 67 13.144 -4.667 0.840 1.00 0.00 H new ATOM 0 HB THR A 67 12.341 -6.974 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.038 -5.934 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.579 -7.871 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.759 -6.579 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.317 -6.239 3.290 1.00 0.00 H new ATOM 996 N LEU A 68 10.129 -4.324 -0.419 1.00 0.00 N ATOM 997 CA LEU A 68 9.385 -4.008 -1.633 1.00 0.00 C ATOM 998 C LEU A 68 10.150 -3.011 -2.498 1.00 0.00 C ATOM 999 O LEU A 68 10.878 -2.161 -1.987 1.00 0.00 O ATOM 1000 CB LEU A 68 8.010 -3.442 -1.278 1.00 0.00 C ATOM 1001 CG LEU A 68 7.153 -4.296 -0.343 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.848 -3.585 -0.016 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.880 -5.657 -0.964 1.00 0.00 C ATOM 0 H LEU A 68 9.570 -4.311 0.434 1.00 0.00 H new ATOM 0 HA LEU A 68 9.257 -4.929 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.150 -2.464 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.455 -3.283 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 68 7.703 -4.447 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.251 -4.208 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.064 -2.635 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.293 -3.402 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.269 -6.251 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.351 -5.527 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.824 -6.170 -1.145 1.00 0.00 H new ATOM 1015 N GLY A 69 9.979 -3.122 -3.812 1.00 0.00 N ATOM 1016 CA GLY A 69 10.659 -2.223 -4.727 1.00 0.00 C ATOM 1017 C GLY A 69 10.055 -0.833 -4.729 1.00 0.00 C ATOM 1018 O GLY A 69 9.507 -0.385 -3.722 1.00 0.00 O ATOM 0 H GLY A 69 9.382 -3.818 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.712 -2.158 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.617 -2.635 -5.735 1.00 0.00 H new ATOM 1022 N ASP A 70 10.156 -0.148 -5.862 1.00 0.00 N ATOM 1023 CA ASP A 70 9.616 1.201 -5.991 1.00 0.00 C ATOM 1024 C ASP A 70 8.241 1.174 -6.652 1.00 0.00 C ATOM 1025 O ASP A 70 7.915 0.248 -7.392 1.00 0.00 O ATOM 1026 CB ASP A 70 10.569 2.079 -6.803 1.00 0.00 C ATOM 1027 CG ASP A 70 11.226 1.323 -7.941 1.00 0.00 C ATOM 1028 OD1 ASP A 70 10.604 1.212 -9.017 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.363 0.841 -7.754 1.00 0.00 O ATOM 0 H ASP A 70 10.607 -0.504 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 70 9.511 1.622 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.020 2.930 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.340 2.479 -6.144 1.00 0.00 H new ATOM 1034 N ASN A 71 7.438 2.198 -6.376 1.00 0.00 N ATOM 1035 CA ASN A 71 6.098 2.291 -6.943 1.00 0.00 C ATOM 1036 C ASN A 71 5.364 0.958 -6.827 1.00 0.00 C ATOM 1037 O ASN A 71 4.681 0.530 -7.757 1.00 0.00 O ATOM 1038 CB ASN A 71 6.170 2.720 -8.409 1.00 0.00 C ATOM 1039 CG ASN A 71 7.291 2.029 -9.160 1.00 0.00 C ATOM 1040 OD1 ASN A 71 7.130 0.909 -9.646 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.436 2.694 -9.257 1.00 0.00 N ATOM 0 H ASN A 71 7.692 2.973 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 71 5.544 3.041 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.220 2.499 -8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.312 3.799 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.227 2.279 -9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.525 3.620 -8.839 1.00 0.00 H new ATOM 1048 N THR A 72 5.511 0.306 -5.677 1.00 0.00 N ATOM 1049 CA THR A 72 4.863 -0.978 -5.439 1.00 0.00 C ATOM 1050 C THR A 72 3.352 -0.819 -5.325 1.00 0.00 C ATOM 1051 O THR A 72 2.862 0.056 -4.610 1.00 0.00 O ATOM 1052 CB THR A 72 5.396 -1.646 -4.158 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.806 -1.870 -4.272 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.687 -2.968 -3.902 1.00 0.00 C ATOM 0 H THR A 72 6.073 0.646 -4.897 1.00 0.00 H new ATOM 0 HA THR A 72 5.094 -1.612 -6.295 1.00 0.00 H new ATOM 0 HB THR A 72 5.201 -0.978 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.289 -1.075 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.080 -3.421 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.618 -2.791 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.855 -3.640 -4.744 1.00 0.00 H new ATOM 1062 N HIS A 73 2.617 -1.670 -6.032 1.00 0.00 N ATOM 1063 CA HIS A 73 1.158 -1.624 -6.009 1.00 0.00 C ATOM 1064 C HIS A 73 0.615 -2.282 -4.744 1.00 0.00 C ATOM 1065 O HIS A 73 1.206 -3.226 -4.220 1.00 0.00 O ATOM 1066 CB HIS A 73 0.586 -2.318 -7.245 1.00 0.00 C ATOM 1067 CG HIS A 73 0.407 -1.402 -8.417 1.00 0.00 C ATOM 1068 ND1 HIS A 73 1.212 -1.445 -9.536 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.493 -0.416 -8.641 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.816 -0.525 -10.396 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.217 0.114 -9.877 1.00 0.00 N ATOM 0 H HIS A 73 3.006 -2.400 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 73 0.851 -0.578 -6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.247 -3.136 -7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.377 -2.761 -6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.281 -0.104 -7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.261 -0.328 -11.360 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.727 0.877 -10.322 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.514 -1.775 -4.259 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.136 -2.312 -3.054 1.00 0.00 C ATOM 1082 C PHE A 74 -2.646 -2.447 -3.236 1.00 0.00 C ATOM 1083 O PHE A 74 -3.223 -1.877 -4.161 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.834 -1.413 -1.854 1.00 0.00 C ATOM 1085 CG PHE A 74 0.603 -1.464 -1.416 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.073 -2.527 -0.663 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.481 -0.448 -1.756 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.394 -2.576 -0.256 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.803 -0.491 -1.354 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.259 -1.556 -0.603 1.00 0.00 C ATOM 0 H PHE A 74 -1.016 -0.994 -4.681 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.719 -3.302 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.093 -0.385 -2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.471 -1.707 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.400 -3.327 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.129 0.388 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.749 -3.410 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.478 0.307 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.291 -1.592 -0.287 1.00 0.00 H new ATOM 1100 N MET A 75 -3.278 -3.203 -2.344 1.00 0.00 N ATOM 1101 CA MET A 75 -4.720 -3.411 -2.405 1.00 0.00 C ATOM 1102 C MET A 75 -5.357 -3.207 -1.034 1.00 0.00 C ATOM 1103 O MET A 75 -4.950 -3.829 -0.052 1.00 0.00 O ATOM 1104 CB MET A 75 -5.032 -4.817 -2.922 1.00 0.00 C ATOM 1105 CG MET A 75 -6.479 -5.233 -2.714 1.00 0.00 C ATOM 1106 SD MET A 75 -7.650 -4.037 -3.385 1.00 0.00 S ATOM 1107 CE MET A 75 -7.646 -4.496 -5.116 1.00 0.00 C ATOM 0 H MET A 75 -2.815 -3.681 -1.571 1.00 0.00 H new ATOM 0 HA MET A 75 -5.140 -2.677 -3.093 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.798 -4.865 -3.986 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.381 -5.533 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.646 -6.202 -3.185 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.667 -5.360 -1.648 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.267 -3.666 -5.712 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.007 -5.367 -5.260 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.662 -4.735 -5.431 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.357 -2.335 -0.975 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.050 -2.051 0.276 1.00 0.00 C ATOM 1119 C ILE A 76 -8.363 -2.821 0.364 1.00 0.00 C ATOM 1120 O ILE A 76 -9.217 -2.717 -0.518 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.338 -0.546 0.431 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.462 -0.178 1.911 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.605 -0.169 -0.323 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.142 0.179 2.558 1.00 0.00 C ATOM 0 H ILE A 76 -6.706 -1.813 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.390 -2.371 1.082 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.505 0.014 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.146 0.665 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.906 -1.015 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.795 0.898 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.481 -0.400 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.447 -0.735 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.306 0.429 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.462 -0.670 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.705 1.036 2.045 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.520 -3.591 1.434 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.731 -4.378 1.639 1.00 0.00 C ATOM 1138 C LEU A 77 -10.476 -3.916 2.887 1.00 0.00 C ATOM 1139 O LEU A 77 -9.877 -3.732 3.946 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.385 -5.864 1.759 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.658 -6.482 0.564 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.522 -7.985 0.742 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.392 -6.160 -0.730 1.00 0.00 C ATOM 0 H LEU A 77 -7.824 -3.688 2.173 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.380 -4.231 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.767 -6.002 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.308 -6.419 1.924 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.658 -6.052 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.002 -8.408 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.954 -8.194 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.512 -8.433 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.861 -6.607 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.404 -6.563 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.437 -5.079 -0.863 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.786 -3.732 2.755 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.612 -3.293 3.873 1.00 0.00 C ATOM 1157 C GLU A 78 -13.020 -4.476 4.746 1.00 0.00 C ATOM 1158 O GLU A 78 -12.738 -5.629 4.420 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.859 -2.568 3.361 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.569 -1.192 2.785 1.00 0.00 C ATOM 1161 CD GLU A 78 -13.249 -1.236 1.304 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -12.160 -1.732 0.946 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.088 -0.775 0.501 1.00 0.00 O ATOM 0 H GLU A 78 -12.298 -3.880 1.885 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.023 -2.604 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.336 -3.180 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.572 -2.467 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.431 -0.545 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.731 -0.747 3.321 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.687 -4.182 5.857 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.136 -5.220 6.778 1.00 0.00 C ATOM 1172 C LYS A 79 -15.069 -6.202 6.077 1.00 0.00 C ATOM 1173 O LYS A 79 -16.256 -5.930 5.903 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.848 -4.591 7.977 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.345 -5.608 8.991 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.185 -4.952 10.074 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.320 -4.190 11.066 1.00 0.00 C ATOM 1178 NZ LYS A 79 -14.751 -5.088 12.110 1.00 0.00 N ATOM 0 H LYS A 79 -13.929 -3.233 6.142 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.260 -5.766 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.166 -3.900 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.694 -4.003 7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.936 -6.370 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.494 -6.115 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.902 -4.270 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.760 -5.713 10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.509 -3.692 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.914 -3.410 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.168 -4.531 12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.524 -5.544 12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.163 -5.817 11.658 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.523 -7.346 5.677 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.322 -8.353 5.001 1.00 0.00 C ATOM 1194 C GLY A 80 -15.143 -8.319 3.497 1.00 0.00 C ATOM 1195 O GLY A 80 -16.048 -8.691 2.749 1.00 0.00 O ATOM 0 H GLY A 80 -13.542 -7.594 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.049 -9.340 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.374 -8.200 5.242 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.973 -7.874 3.051 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.681 -7.791 1.625 1.00 0.00 C ATOM 1201 C GLN A 81 -12.392 -8.535 1.289 1.00 0.00 C ATOM 1202 O GLN A 81 -11.397 -8.429 2.007 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.568 -6.330 1.189 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.870 -5.554 1.318 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.989 -4.440 0.296 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.313 -3.303 0.637 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.729 -4.764 -0.965 1.00 0.00 N ATOM 0 H GLN A 81 -13.212 -7.566 3.656 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.503 -8.261 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.801 -5.839 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.234 -6.294 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.710 -6.239 1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.939 -5.131 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.464 -5.720 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.794 -4.057 -1.697 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.416 -9.288 0.195 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.251 -10.050 -0.237 1.00 0.00 C ATOM 1218 C LYS A 82 -10.539 -9.348 -1.388 1.00 0.00 C ATOM 1219 O LYS A 82 -11.080 -8.422 -1.994 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.666 -11.459 -0.664 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.665 -11.479 -1.808 1.00 0.00 C ATOM 1222 CD LYS A 82 -13.022 -12.899 -2.212 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.841 -12.925 -3.494 1.00 0.00 C ATOM 1224 NZ LYS A 82 -13.972 -14.304 -4.040 1.00 0.00 N ATOM 0 H LYS A 82 -13.231 -9.387 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.562 -10.121 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.777 -12.017 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.097 -11.977 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.569 -10.946 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.249 -10.950 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.110 -13.479 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.585 -13.376 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.832 -12.515 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.371 -12.283 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.537 -14.280 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.027 -14.686 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.444 -14.911 -3.340 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.324 -9.793 -1.686 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.539 -9.208 -2.767 1.00 0.00 C ATOM 1240 C TRP A 83 -9.003 -9.729 -4.123 1.00 0.00 C ATOM 1241 O TRP A 83 -9.539 -10.833 -4.222 1.00 0.00 O ATOM 1242 CB TRP A 83 -7.053 -9.515 -2.570 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.249 -9.390 -3.828 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.389 -8.380 -4.156 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -6.231 -10.307 -4.928 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.839 -8.614 -5.393 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.338 -9.790 -5.887 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.880 -11.516 -5.195 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -5.081 -10.440 -7.091 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.625 -12.159 -6.392 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.730 -11.621 -7.327 1.00 0.00 C ATOM 0 H TRP A 83 -8.861 -10.557 -1.194 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.686 -8.128 -2.745 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.646 -8.838 -1.819 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.947 -10.527 -2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.173 -7.524 -3.534 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.168 -8.010 -5.867 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.568 -11.940 -4.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.393 -10.026 -7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -7.124 -13.092 -6.610 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.549 -12.149 -8.252 1.00 0.00 H new ATOM 1262 N MET A 84 -8.793 -8.931 -5.163 1.00 0.00 N ATOM 1263 CA MET A 84 -9.190 -9.314 -6.513 1.00 0.00 C ATOM 1264 C MET A 84 -8.143 -8.876 -7.532 1.00 0.00 C ATOM 1265 O MET A 84 -7.526 -7.818 -7.408 1.00 0.00 O ATOM 1266 CB MET A 84 -10.548 -8.700 -6.862 1.00 0.00 C ATOM 1267 CG MET A 84 -11.678 -9.173 -5.964 1.00 0.00 C ATOM 1268 SD MET A 84 -13.288 -9.091 -6.771 1.00 0.00 S ATOM 1269 CE MET A 84 -13.007 -10.141 -8.194 1.00 0.00 C ATOM 0 H MET A 84 -8.350 -8.015 -5.098 1.00 0.00 H new ATOM 0 HA MET A 84 -9.272 -10.400 -6.547 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.474 -7.614 -6.797 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.792 -8.942 -7.897 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.484 -10.199 -5.653 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.698 -8.564 -5.060 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.861 -10.804 -8.332 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.880 -9.523 -9.083 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.108 -10.736 -8.035 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.937 -9.708 -8.564 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.965 -9.427 -9.625 1.00 0.00 C ATOM 1281 C PRO A 85 -7.399 -8.270 -10.518 1.00 0.00 C ATOM 1282 O PRO A 85 -8.439 -7.653 -10.288 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.924 -10.732 -10.423 1.00 0.00 C ATOM 1284 CG PRO A 85 -8.248 -11.369 -10.176 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.637 -10.987 -8.776 1.00 0.00 C ATOM 0 HA PRO A 85 -5.998 -9.127 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.768 -10.542 -11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.108 -11.374 -10.091 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.989 -11.021 -10.896 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.186 -12.452 -10.282 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.717 -10.876 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.325 -11.740 -8.053 1.00 0.00 H new ATOM 1293 N SER A 86 -6.595 -7.980 -11.536 1.00 0.00 N ATOM 1294 CA SER A 86 -6.896 -6.895 -12.462 1.00 0.00 C ATOM 1295 C SER A 86 -8.364 -6.922 -12.875 1.00 0.00 C ATOM 1296 O SER A 86 -8.847 -7.913 -13.421 1.00 0.00 O ATOM 1297 CB SER A 86 -6.003 -6.991 -13.701 1.00 0.00 C ATOM 1298 OG SER A 86 -6.403 -6.060 -14.691 1.00 0.00 O ATOM 0 H SER A 86 -5.730 -8.481 -11.740 1.00 0.00 H new ATOM 0 HA SER A 86 -6.699 -5.952 -11.953 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.966 -6.806 -13.421 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.048 -8.001 -14.108 1.00 0.00 H new ATOM 0 HG SER A 86 -5.816 -6.140 -15.472 1.00 0.00 H new ATOM 1304 N GLY A 87 -9.069 -5.826 -12.609 1.00 0.00 N ATOM 1305 CA GLY A 87 -10.474 -5.746 -12.959 1.00 0.00 C ATOM 1306 C GLY A 87 -10.708 -4.986 -14.250 1.00 0.00 C ATOM 1307 O GLY A 87 -9.996 -4.035 -14.573 1.00 0.00 O ATOM 0 H GLY A 87 -8.692 -4.993 -12.158 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.879 -6.753 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.019 -5.259 -12.151 1.00 0.00 H new ATOM 1311 N PRO A 88 -11.724 -5.410 -15.016 1.00 0.00 N ATOM 1312 CA PRO A 88 -12.072 -4.777 -16.292 1.00 0.00 C ATOM 1313 C PRO A 88 -12.663 -3.384 -16.106 1.00 0.00 C ATOM 1314 O PRO A 88 -13.451 -3.150 -15.190 1.00 0.00 O ATOM 1315 CB PRO A 88 -13.117 -5.726 -16.884 1.00 0.00 C ATOM 1316 CG PRO A 88 -13.718 -6.412 -15.707 1.00 0.00 C ATOM 1317 CD PRO A 88 -12.615 -6.538 -14.693 1.00 0.00 C ATOM 0 HA PRO A 88 -11.198 -4.632 -16.927 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.871 -5.180 -17.451 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.660 -6.441 -17.568 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.553 -5.838 -15.306 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.108 -7.392 -15.983 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.996 -6.470 -13.674 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.099 -7.494 -14.777 1.00 0.00 H new ATOM 1325 N SER A 89 -12.277 -2.462 -16.981 1.00 0.00 N ATOM 1326 CA SER A 89 -12.767 -1.090 -16.912 1.00 0.00 C ATOM 1327 C SER A 89 -13.420 -0.678 -18.228 1.00 0.00 C ATOM 1328 O SER A 89 -13.258 -1.346 -19.250 1.00 0.00 O ATOM 1329 CB SER A 89 -11.621 -0.133 -16.578 1.00 0.00 C ATOM 1330 OG SER A 89 -11.405 -0.064 -15.180 1.00 0.00 O ATOM 0 H SER A 89 -11.626 -2.640 -17.746 1.00 0.00 H new ATOM 0 HA SER A 89 -13.517 -1.038 -16.123 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.709 -0.466 -17.074 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.849 0.861 -16.963 1.00 0.00 H new ATOM 0 HG SER A 89 -10.667 0.553 -14.993 1.00 0.00 H new ATOM 1336 N SER A 90 -14.161 0.425 -18.194 1.00 0.00 N ATOM 1337 CA SER A 90 -14.843 0.925 -19.382 1.00 0.00 C ATOM 1338 C SER A 90 -14.873 2.449 -19.391 1.00 0.00 C ATOM 1339 O SER A 90 -15.201 3.081 -18.387 1.00 0.00 O ATOM 1340 CB SER A 90 -16.269 0.374 -19.447 1.00 0.00 C ATOM 1341 OG SER A 90 -16.995 0.703 -18.275 1.00 0.00 O ATOM 0 H SER A 90 -14.304 0.989 -17.357 1.00 0.00 H new ATOM 0 HA SER A 90 -14.290 0.586 -20.258 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.780 0.779 -20.321 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.239 -0.709 -19.568 1.00 0.00 H new ATOM 0 HG SER A 90 -16.673 1.557 -17.919 1.00 0.00 H new ATOM 1347 N GLY A 91 -14.528 3.036 -20.534 1.00 0.00 N ATOM 1348 CA GLY A 91 -14.521 4.482 -20.653 1.00 0.00 C ATOM 1349 C GLY A 91 -15.835 5.105 -20.223 1.00 0.00 C ATOM 1350 O GLY A 91 -16.673 5.443 -21.059 1.00 0.00 O ATOM 0 H GLY A 91 -14.253 2.535 -21.379 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.713 4.890 -20.046 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.313 4.758 -21.687 1.00 0.00 H new TER 1354 GLY A 91