USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 876 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 59 LYS NZ :NH3+ -132:sc= -0.633 (180deg=-3.03!) USER MOD Set 1.2: A 65 TYR OH : rot 15:sc= -0.958 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -53:sc= 0.292 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 6 SER OG : rot -109:sc= 0.263 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -106:sc= -2.13 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc= 0 (180deg=-0.942) USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.509 USER MOD Single : A 22 MET CE :methyl -141:sc= -0.058 (180deg=-0.597) USER MOD Single : A 24 THR OG1 : rot -21:sc= 0.983 USER MOD Single : A 25 HIS : no HD1:sc= -0.565 K(o=-0.56,f=-2.4) USER MOD Single : A 36 ASN : amide:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.023 (180deg=-0.233) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 165:sc= -0.14 (180deg=-0.561) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 145:sc= 0.958 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 67 ASN : amide:sc= -2.86! C(o=-2.9!,f=-0.5!) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.271 USER MOD Single : A 81 ASN : amide:sc= -1.3! K(o=-1.3!,f=-4.2) USER MOD Single : A 82 CYS SG : rot 180:sc= -2.22! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.94 K(o=-2.9,f=-4.9!) USER MOD Single : A 90 SER OG : rot -41:sc= 0.833 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 98 ASN : amide:sc= -0.0638 K(o=-0.064,f=-2!) USER MOD Single : A 99 MET CE :methyl -152:sc= -1.75 (180deg=-2.46!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.985 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -141:sc= -0.249 (180deg=-1.06) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.013 23.828 -9.195 1.00 0.00 N ATOM 2 CA GLY A 1 -7.980 23.230 -8.293 1.00 0.00 C ATOM 3 C GLY A 1 -7.692 23.548 -6.840 1.00 0.00 C ATOM 4 O GLY A 1 -8.588 23.943 -6.093 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.254 23.581 -10.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.028 24.862 -9.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.062 23.470 -8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.978 23.585 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.981 22.149 -8.432 1.00 0.00 H new ATOM 8 N SER A 2 -6.437 23.375 -6.435 1.00 0.00 N ATOM 9 CA SER A 2 -6.034 23.641 -5.060 1.00 0.00 C ATOM 10 C SER A 2 -5.746 25.126 -4.855 1.00 0.00 C ATOM 11 O SER A 2 -6.165 25.719 -3.861 1.00 0.00 O ATOM 12 CB SER A 2 -4.797 22.816 -4.700 1.00 0.00 C ATOM 13 OG SER A 2 -4.733 22.573 -3.305 1.00 0.00 O ATOM 0 H SER A 2 -5.682 23.052 -7.040 1.00 0.00 H new ATOM 0 HA SER A 2 -6.857 23.354 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.820 21.868 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.899 23.343 -5.022 1.00 0.00 H new ATOM 0 HG SER A 2 -3.934 22.043 -3.102 1.00 0.00 H new ATOM 19 N SER A 3 -5.028 25.719 -5.804 1.00 0.00 N ATOM 20 CA SER A 3 -4.681 27.133 -5.727 1.00 0.00 C ATOM 21 C SER A 3 -4.041 27.463 -4.382 1.00 0.00 C ATOM 22 O SER A 3 -4.354 28.481 -3.766 1.00 0.00 O ATOM 23 CB SER A 3 -5.924 27.998 -5.939 1.00 0.00 C ATOM 24 OG SER A 3 -5.575 29.361 -6.106 1.00 0.00 O ATOM 0 H SER A 3 -4.676 25.242 -6.634 1.00 0.00 H new ATOM 0 HA SER A 3 -3.960 27.348 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.468 27.649 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.594 27.893 -5.086 1.00 0.00 H new ATOM 0 HG SER A 3 -5.014 29.649 -5.356 1.00 0.00 H new ATOM 30 N GLY A 4 -3.142 26.593 -3.932 1.00 0.00 N ATOM 31 CA GLY A 4 -2.472 26.808 -2.663 1.00 0.00 C ATOM 32 C GLY A 4 -1.469 25.718 -2.344 1.00 0.00 C ATOM 33 O GLY A 4 -0.914 25.092 -3.247 1.00 0.00 O ATOM 0 H GLY A 4 -2.866 25.743 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.962 27.771 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.215 26.857 -1.867 1.00 0.00 H new ATOM 37 N SER A 5 -1.234 25.489 -1.056 1.00 0.00 N ATOM 38 CA SER A 5 -0.287 24.470 -0.620 1.00 0.00 C ATOM 39 C SER A 5 -0.658 23.938 0.761 1.00 0.00 C ATOM 40 O SER A 5 -1.241 24.652 1.577 1.00 0.00 O ATOM 41 CB SER A 5 1.133 25.040 -0.595 1.00 0.00 C ATOM 42 OG SER A 5 1.513 25.517 -1.874 1.00 0.00 O ATOM 0 H SER A 5 -1.687 25.996 -0.296 1.00 0.00 H new ATOM 0 HA SER A 5 -0.327 23.645 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.190 25.851 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.832 24.270 -0.268 1.00 0.00 H new ATOM 0 HG SER A 5 2.423 25.878 -1.831 1.00 0.00 H new ATOM 48 N SER A 6 -0.315 22.679 1.015 1.00 0.00 N ATOM 49 CA SER A 6 -0.615 22.049 2.295 1.00 0.00 C ATOM 50 C SER A 6 0.660 21.829 3.104 1.00 0.00 C ATOM 51 O SER A 6 1.498 21.001 2.751 1.00 0.00 O ATOM 52 CB SER A 6 -1.329 20.714 2.075 1.00 0.00 C ATOM 53 OG SER A 6 -2.704 20.912 1.795 1.00 0.00 O ATOM 0 H SER A 6 0.171 22.076 0.351 1.00 0.00 H new ATOM 0 HA SER A 6 -1.270 22.716 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.860 20.179 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.221 20.090 2.962 1.00 0.00 H new ATOM 0 HG SER A 6 -3.240 20.617 2.561 1.00 0.00 H new ATOM 59 N GLY A 7 0.798 22.579 4.194 1.00 0.00 N ATOM 60 CA GLY A 7 1.973 22.452 5.037 1.00 0.00 C ATOM 61 C GLY A 7 1.623 22.373 6.510 1.00 0.00 C ATOM 62 O GLY A 7 2.121 23.160 7.316 1.00 0.00 O ATOM 0 H GLY A 7 0.118 23.271 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.528 21.559 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.632 23.304 4.868 1.00 0.00 H new ATOM 66 N ASP A 8 0.765 21.423 6.862 1.00 0.00 N ATOM 67 CA ASP A 8 0.349 21.244 8.249 1.00 0.00 C ATOM 68 C ASP A 8 0.083 19.773 8.551 1.00 0.00 C ATOM 69 O ASP A 8 0.066 18.937 7.648 1.00 0.00 O ATOM 70 CB ASP A 8 -0.905 22.071 8.537 1.00 0.00 C ATOM 71 CG ASP A 8 -0.607 23.553 8.654 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.377 23.908 9.335 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.359 24.358 8.065 1.00 0.00 O ATOM 0 H ASP A 8 0.343 20.765 6.207 1.00 0.00 H new ATOM 0 HA ASP A 8 1.158 21.588 8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.633 21.911 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.363 21.721 9.462 1.00 0.00 H new ATOM 78 N SER A 9 -0.122 19.464 9.828 1.00 0.00 N ATOM 79 CA SER A 9 -0.381 18.093 10.250 1.00 0.00 C ATOM 80 C SER A 9 -1.761 17.634 9.788 1.00 0.00 C ATOM 81 O SER A 9 -1.925 16.518 9.295 1.00 0.00 O ATOM 82 CB SER A 9 -0.276 17.977 11.772 1.00 0.00 C ATOM 83 OG SER A 9 0.962 18.485 12.237 1.00 0.00 O ATOM 0 H SER A 9 -0.114 20.145 10.588 1.00 0.00 H new ATOM 0 HA SER A 9 0.370 17.450 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.095 18.523 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.379 16.933 12.068 1.00 0.00 H new ATOM 0 HG SER A 9 1.004 18.401 13.213 1.00 0.00 H new ATOM 89 N LYS A 10 -2.752 18.503 9.952 1.00 0.00 N ATOM 90 CA LYS A 10 -4.119 18.190 9.552 1.00 0.00 C ATOM 91 C LYS A 10 -4.133 17.320 8.299 1.00 0.00 C ATOM 92 O LYS A 10 -4.574 16.171 8.336 1.00 0.00 O ATOM 93 CB LYS A 10 -4.906 19.479 9.299 1.00 0.00 C ATOM 94 CG LYS A 10 -6.412 19.289 9.341 1.00 0.00 C ATOM 95 CD LYS A 10 -7.128 20.327 8.493 1.00 0.00 C ATOM 96 CE LYS A 10 -8.622 20.051 8.418 1.00 0.00 C ATOM 97 NZ LYS A 10 -9.281 20.848 7.346 1.00 0.00 N ATOM 0 H LYS A 10 -2.634 19.431 10.360 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.591 17.636 10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.621 20.221 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.626 19.881 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.664 18.290 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.760 19.357 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.961 21.319 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.707 20.331 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.786 18.989 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.083 20.283 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.298 20.631 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.146 21.862 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.859 20.608 6.426 1.00 0.00 H new ATOM 111 N ASP A 11 -3.648 17.873 7.194 1.00 0.00 N ATOM 112 CA ASP A 11 -3.602 17.146 5.931 1.00 0.00 C ATOM 113 C ASP A 11 -3.105 15.719 6.143 1.00 0.00 C ATOM 114 O ASP A 11 -3.720 14.760 5.675 1.00 0.00 O ATOM 115 CB ASP A 11 -2.699 17.871 4.932 1.00 0.00 C ATOM 116 CG ASP A 11 -2.846 19.378 5.007 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.840 19.904 4.463 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.968 20.032 5.607 1.00 0.00 O ATOM 0 H ASP A 11 -3.281 18.823 7.147 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.614 17.103 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.660 17.600 5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.936 17.535 3.922 1.00 0.00 H new ATOM 123 N LEU A 12 -1.988 15.587 6.850 1.00 0.00 N ATOM 124 CA LEU A 12 -1.407 14.277 7.123 1.00 0.00 C ATOM 125 C LEU A 12 -2.397 13.387 7.868 1.00 0.00 C ATOM 126 O LEU A 12 -2.636 12.245 7.477 1.00 0.00 O ATOM 127 CB LEU A 12 -0.123 14.427 7.941 1.00 0.00 C ATOM 128 CG LEU A 12 1.163 14.633 7.139 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.329 14.931 8.068 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.459 13.410 6.283 1.00 0.00 C ATOM 0 H LEU A 12 -1.467 16.370 7.244 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.170 13.806 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.244 15.272 8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.004 13.537 8.559 1.00 0.00 H new ATOM 0 HG LEU A 12 1.024 15.489 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.235 15.075 7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.119 15.836 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.470 14.096 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.377 13.574 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.578 12.537 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.634 13.242 5.591 1.00 0.00 H new ATOM 142 N ALA A 13 -2.969 13.919 8.943 1.00 0.00 N ATOM 143 CA ALA A 13 -3.936 13.174 9.741 1.00 0.00 C ATOM 144 C ALA A 13 -4.888 12.382 8.851 1.00 0.00 C ATOM 145 O ALA A 13 -5.141 11.201 9.092 1.00 0.00 O ATOM 146 CB ALA A 13 -4.717 14.120 10.641 1.00 0.00 C ATOM 0 H ALA A 13 -2.780 14.862 9.282 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.388 12.466 10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.435 13.551 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.029 14.638 11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.247 14.850 10.029 1.00 0.00 H new ATOM 152 N LEU A 14 -5.413 13.038 7.822 1.00 0.00 N ATOM 153 CA LEU A 14 -6.338 12.394 6.896 1.00 0.00 C ATOM 154 C LEU A 14 -5.682 11.195 6.217 1.00 0.00 C ATOM 155 O LEU A 14 -6.322 10.166 6.000 1.00 0.00 O ATOM 156 CB LEU A 14 -6.813 13.395 5.841 1.00 0.00 C ATOM 157 CG LEU A 14 -7.689 14.541 6.350 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.936 15.555 5.244 1.00 0.00 C ATOM 159 CD2 LEU A 14 -9.007 14.005 6.890 1.00 0.00 C ATOM 0 H LEU A 14 -5.214 14.015 7.608 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.197 12.040 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.937 13.823 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.369 12.851 5.077 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.164 15.042 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.561 16.363 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.984 15.962 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.441 15.068 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.618 14.834 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.538 13.479 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.810 13.318 7.713 1.00 0.00 H new ATOM 171 N CYS A 15 -4.403 11.336 5.886 1.00 0.00 N ATOM 172 CA CYS A 15 -3.661 10.264 5.233 1.00 0.00 C ATOM 173 C CYS A 15 -3.715 8.983 6.059 1.00 0.00 C ATOM 174 O CYS A 15 -3.913 7.893 5.521 1.00 0.00 O ATOM 175 CB CYS A 15 -2.206 10.683 5.015 1.00 0.00 C ATOM 176 SG CYS A 15 -2.008 12.147 3.973 1.00 0.00 S ATOM 0 H CYS A 15 -3.859 12.181 6.059 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.126 10.071 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.745 10.875 5.984 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.664 9.852 4.563 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.569 11.790 2.803 1.00 0.00 H new ATOM 182 N SER A 16 -3.537 9.121 7.369 1.00 0.00 N ATOM 183 CA SER A 16 -3.561 7.975 8.269 1.00 0.00 C ATOM 184 C SER A 16 -4.882 7.221 8.154 1.00 0.00 C ATOM 185 O SER A 16 -4.909 5.990 8.146 1.00 0.00 O ATOM 186 CB SER A 16 -3.344 8.429 9.714 1.00 0.00 C ATOM 187 OG SER A 16 -3.618 7.379 10.625 1.00 0.00 O ATOM 0 H SER A 16 -3.375 10.016 7.831 1.00 0.00 H new ATOM 0 HA SER A 16 -2.753 7.303 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.315 8.766 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.988 9.281 9.932 1.00 0.00 H new ATOM 0 HG SER A 16 -3.470 7.694 11.541 1.00 0.00 H new ATOM 193 N MET A 17 -5.977 7.969 8.065 1.00 0.00 N ATOM 194 CA MET A 17 -7.303 7.372 7.949 1.00 0.00 C ATOM 195 C MET A 17 -7.396 6.492 6.706 1.00 0.00 C ATOM 196 O MET A 17 -7.630 5.287 6.804 1.00 0.00 O ATOM 197 CB MET A 17 -8.374 8.463 7.897 1.00 0.00 C ATOM 198 CG MET A 17 -8.164 9.569 8.918 1.00 0.00 C ATOM 199 SD MET A 17 -9.698 10.410 9.357 1.00 0.00 S ATOM 200 CE MET A 17 -10.352 10.789 7.733 1.00 0.00 C ATOM 0 H MET A 17 -5.973 8.989 8.071 1.00 0.00 H new ATOM 0 HA MET A 17 -7.472 6.749 8.827 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.388 8.899 6.898 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.352 8.009 8.061 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.715 9.147 9.817 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.457 10.296 8.520 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.122 11.556 7.821 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.548 11.153 7.093 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.784 9.889 7.296 1.00 0.00 H new ATOM 210 N ILE A 18 -7.212 7.101 5.540 1.00 0.00 N ATOM 211 CA ILE A 18 -7.275 6.372 4.280 1.00 0.00 C ATOM 212 C ILE A 18 -6.404 5.122 4.324 1.00 0.00 C ATOM 213 O ILE A 18 -6.841 4.034 3.946 1.00 0.00 O ATOM 214 CB ILE A 18 -6.829 7.253 3.097 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.747 8.470 2.966 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.824 6.445 1.808 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.067 9.676 2.356 1.00 0.00 C ATOM 0 H ILE A 18 -7.018 8.098 5.442 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.316 6.082 4.135 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.815 7.605 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.609 8.201 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.126 8.737 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.507 7.081 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.134 5.607 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.827 6.068 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.777 10.501 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.222 9.971 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.712 9.426 1.356 1.00 0.00 H new ATOM 229 N LEU A 19 -5.170 5.283 4.788 1.00 0.00 N ATOM 230 CA LEU A 19 -4.236 4.166 4.885 1.00 0.00 C ATOM 231 C LEU A 19 -4.811 3.049 5.750 1.00 0.00 C ATOM 232 O LEU A 19 -5.070 1.946 5.267 1.00 0.00 O ATOM 233 CB LEU A 19 -2.902 4.640 5.463 1.00 0.00 C ATOM 234 CG LEU A 19 -1.796 3.587 5.549 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.385 3.130 4.159 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.596 4.135 6.309 1.00 0.00 C ATOM 0 H LEU A 19 -4.792 6.177 5.103 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.071 3.774 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.540 5.470 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.081 5.032 6.464 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.183 2.725 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.597 2.381 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.246 2.698 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.017 3.983 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.181 3.372 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.209 5.014 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.900 4.412 7.318 1.00 0.00 H new ATOM 248 N THR A 20 -5.010 3.342 7.031 1.00 0.00 N ATOM 249 CA THR A 20 -5.555 2.364 7.963 1.00 0.00 C ATOM 250 C THR A 20 -6.676 1.557 7.320 1.00 0.00 C ATOM 251 O THR A 20 -6.596 0.333 7.224 1.00 0.00 O ATOM 252 CB THR A 20 -6.091 3.041 9.238 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.019 3.673 9.946 1.00 0.00 O ATOM 254 CG2 THR A 20 -6.775 2.027 10.143 1.00 0.00 C ATOM 0 H THR A 20 -4.802 4.250 7.447 1.00 0.00 H new ATOM 0 HA THR A 20 -4.738 1.695 8.232 1.00 0.00 H new ATOM 0 HB THR A 20 -6.823 3.793 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.789 4.518 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.145 2.529 11.037 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.610 1.570 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.061 1.255 10.430 1.00 0.00 H new ATOM 262 N GLU A 21 -7.721 2.251 6.880 1.00 0.00 N ATOM 263 CA GLU A 21 -8.860 1.596 6.245 1.00 0.00 C ATOM 264 C GLU A 21 -8.393 0.587 5.200 1.00 0.00 C ATOM 265 O GLU A 21 -8.706 -0.601 5.286 1.00 0.00 O ATOM 266 CB GLU A 21 -9.775 2.635 5.594 1.00 0.00 C ATOM 267 CG GLU A 21 -10.430 3.578 6.589 1.00 0.00 C ATOM 268 CD GLU A 21 -11.671 2.983 7.227 1.00 0.00 C ATOM 269 OE1 GLU A 21 -11.537 1.994 7.977 1.00 0.00 O ATOM 270 OE2 GLU A 21 -12.776 3.507 6.976 1.00 0.00 O ATOM 0 H GLU A 21 -7.803 3.265 6.951 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.417 1.063 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.196 3.220 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.552 2.120 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.712 3.833 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.695 4.506 6.083 1.00 0.00 H new ATOM 277 N MET A 22 -7.645 1.069 4.213 1.00 0.00 N ATOM 278 CA MET A 22 -7.135 0.209 3.151 1.00 0.00 C ATOM 279 C MET A 22 -6.389 -0.988 3.732 1.00 0.00 C ATOM 280 O MET A 22 -6.545 -2.115 3.264 1.00 0.00 O ATOM 281 CB MET A 22 -6.210 1.000 2.225 1.00 0.00 C ATOM 282 CG MET A 22 -6.948 1.956 1.302 1.00 0.00 C ATOM 283 SD MET A 22 -6.035 2.303 -0.214 1.00 0.00 S ATOM 284 CE MET A 22 -4.479 2.885 0.454 1.00 0.00 C ATOM 0 H MET A 22 -7.379 2.050 4.126 1.00 0.00 H new ATOM 0 HA MET A 22 -7.985 -0.159 2.576 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.501 1.566 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.629 0.302 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.919 1.532 1.047 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.137 2.891 1.830 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.112 3.715 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.626 3.220 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.750 2.075 0.438 1.00 0.00 H new ATOM 294 N GLU A 23 -5.577 -0.735 4.754 1.00 0.00 N ATOM 295 CA GLU A 23 -4.806 -1.792 5.397 1.00 0.00 C ATOM 296 C GLU A 23 -5.727 -2.868 5.967 1.00 0.00 C ATOM 297 O GLU A 23 -5.330 -4.023 6.123 1.00 0.00 O ATOM 298 CB GLU A 23 -3.932 -1.212 6.511 1.00 0.00 C ATOM 299 CG GLU A 23 -2.712 -0.464 6.000 1.00 0.00 C ATOM 300 CD GLU A 23 -1.547 -0.515 6.969 1.00 0.00 C ATOM 301 OE1 GLU A 23 -0.975 -1.611 7.149 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.208 0.538 7.547 1.00 0.00 O ATOM 0 H GLU A 23 -5.436 0.193 5.154 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.165 -2.248 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.534 -0.536 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.605 -2.022 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.404 -0.889 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.980 0.576 5.814 1.00 0.00 H new ATOM 309 N THR A 24 -6.960 -2.479 6.277 1.00 0.00 N ATOM 310 CA THR A 24 -7.937 -3.407 6.830 1.00 0.00 C ATOM 311 C THR A 24 -8.842 -3.968 5.739 1.00 0.00 C ATOM 312 O THR A 24 -9.991 -4.330 5.997 1.00 0.00 O ATOM 313 CB THR A 24 -8.808 -2.731 7.906 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.592 -1.687 7.317 1.00 0.00 O ATOM 315 CG2 THR A 24 -7.944 -2.157 9.019 1.00 0.00 C ATOM 0 H THR A 24 -7.305 -1.527 6.154 1.00 0.00 H new ATOM 0 HA THR A 24 -7.375 -4.222 7.287 1.00 0.00 H new ATOM 0 HB THR A 24 -9.470 -3.485 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.182 -1.406 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.581 -1.685 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.370 -2.959 9.484 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.261 -1.416 8.604 1.00 0.00 H new ATOM 323 N HIS A 25 -8.318 -4.039 4.520 1.00 0.00 N ATOM 324 CA HIS A 25 -9.079 -4.558 3.389 1.00 0.00 C ATOM 325 C HIS A 25 -8.735 -6.021 3.128 1.00 0.00 C ATOM 326 O HIS A 25 -7.642 -6.480 3.461 1.00 0.00 O ATOM 327 CB HIS A 25 -8.803 -3.726 2.137 1.00 0.00 C ATOM 328 CG HIS A 25 -9.953 -3.688 1.178 1.00 0.00 C ATOM 329 ND1 HIS A 25 -9.923 -4.299 -0.058 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.172 -3.109 1.280 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.073 -4.095 -0.676 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.849 -3.376 0.115 1.00 0.00 N ATOM 0 H HIS A 25 -7.369 -3.744 4.290 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.139 -4.491 3.634 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.555 -2.707 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.929 -4.131 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.543 -2.542 2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.334 -4.455 -1.660 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.797 -3.069 -0.104 1.00 0.00 H new ATOM 340 N GLU A 26 -9.674 -6.748 2.532 1.00 0.00 N ATOM 341 CA GLU A 26 -9.469 -8.159 2.228 1.00 0.00 C ATOM 342 C GLU A 26 -8.547 -8.329 1.024 1.00 0.00 C ATOM 343 O GLU A 26 -8.209 -9.449 0.641 1.00 0.00 O ATOM 344 CB GLU A 26 -10.810 -8.846 1.958 1.00 0.00 C ATOM 345 CG GLU A 26 -11.541 -8.298 0.744 1.00 0.00 C ATOM 346 CD GLU A 26 -12.916 -8.912 0.565 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.090 -10.094 0.927 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.817 -8.209 0.061 1.00 0.00 O ATOM 0 H GLU A 26 -10.584 -6.383 2.250 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.997 -8.625 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.640 -9.914 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.448 -8.737 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.640 -7.217 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.945 -8.484 -0.149 1.00 0.00 H new ATOM 355 N ASP A 27 -8.146 -7.209 0.432 1.00 0.00 N ATOM 356 CA ASP A 27 -7.263 -7.232 -0.729 1.00 0.00 C ATOM 357 C ASP A 27 -6.133 -6.220 -0.572 1.00 0.00 C ATOM 358 O ASP A 27 -5.608 -5.703 -1.558 1.00 0.00 O ATOM 359 CB ASP A 27 -8.055 -6.939 -2.004 1.00 0.00 C ATOM 360 CG ASP A 27 -8.836 -8.143 -2.491 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.201 -9.145 -2.882 1.00 0.00 O ATOM 362 OD2 ASP A 27 -10.083 -8.085 -2.479 1.00 0.00 O ATOM 0 H ASP A 27 -8.418 -6.274 0.737 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.826 -8.228 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.743 -6.114 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.370 -6.613 -2.787 1.00 0.00 H new ATOM 367 N ALA A 28 -5.765 -5.940 0.674 1.00 0.00 N ATOM 368 CA ALA A 28 -4.697 -4.990 0.960 1.00 0.00 C ATOM 369 C ALA A 28 -3.526 -5.673 1.658 1.00 0.00 C ATOM 370 O ALA A 28 -2.544 -5.026 2.020 1.00 0.00 O ATOM 371 CB ALA A 28 -5.224 -3.843 1.810 1.00 0.00 C ATOM 0 H ALA A 28 -6.191 -6.358 1.501 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.337 -4.590 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.416 -3.141 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.022 -3.330 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.612 -4.235 2.750 1.00 0.00 H new ATOM 377 N TRP A 29 -3.638 -6.983 1.844 1.00 0.00 N ATOM 378 CA TRP A 29 -2.588 -7.754 2.499 1.00 0.00 C ATOM 379 C TRP A 29 -1.414 -7.987 1.555 1.00 0.00 C ATOM 380 O TRP A 29 -0.259 -8.086 1.970 1.00 0.00 O ATOM 381 CB TRP A 29 -3.140 -9.095 2.987 1.00 0.00 C ATOM 382 CG TRP A 29 -3.491 -10.033 1.872 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.746 -10.381 1.458 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.577 -10.745 1.031 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.666 -11.266 0.410 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.347 -11.505 0.129 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.184 -10.814 0.951 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.768 -12.322 -0.839 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.611 -11.625 -0.009 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.402 -12.370 -0.894 1.00 0.00 C ATOM 0 H TRP A 29 -4.445 -7.533 1.551 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.233 -7.182 3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.402 -9.570 3.633 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.027 -8.915 3.594 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.665 -10.014 1.891 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.460 -11.678 -0.079 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.566 -10.243 1.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.376 -12.897 -1.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.465 -11.686 -0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.924 -12.994 -1.634 1.00 0.00 H new ATOM 401 N PRO A 30 -1.711 -8.078 0.251 1.00 0.00 N ATOM 402 CA PRO A 30 -0.607 -8.301 -0.688 1.00 0.00 C ATOM 403 C PRO A 30 0.565 -7.358 -0.440 1.00 0.00 C ATOM 404 O PRO A 30 1.688 -7.619 -0.872 1.00 0.00 O ATOM 405 CB PRO A 30 -1.240 -8.020 -2.053 1.00 0.00 C ATOM 406 CG PRO A 30 -2.691 -8.297 -1.862 1.00 0.00 C ATOM 407 CD PRO A 30 -3.012 -7.987 -0.432 1.00 0.00 C ATOM 0 HA PRO A 30 -0.189 -9.303 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.071 -6.989 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.813 -8.659 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.292 -7.684 -2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.918 -9.338 -2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.450 -6.994 -0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.730 -8.697 -0.021 1.00 0.00 H new ATOM 415 N PHE A 31 0.297 -6.260 0.259 1.00 0.00 N ATOM 416 CA PHE A 31 1.330 -5.277 0.565 1.00 0.00 C ATOM 417 C PHE A 31 1.586 -5.205 2.067 1.00 0.00 C ATOM 418 O PHE A 31 2.709 -4.953 2.507 1.00 0.00 O ATOM 419 CB PHE A 31 0.924 -3.898 0.039 1.00 0.00 C ATOM 420 CG PHE A 31 0.042 -3.956 -1.175 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.304 -4.266 -1.056 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.557 -3.700 -2.435 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.117 -4.321 -2.172 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.252 -3.752 -3.555 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.591 -4.062 -3.423 1.00 0.00 C ATOM 0 H PHE A 31 -0.627 -6.028 0.624 1.00 0.00 H new ATOM 0 HA PHE A 31 2.250 -5.590 0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.406 -3.355 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.823 -3.330 -0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.722 -4.467 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.604 -3.457 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.163 -4.566 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.163 -3.550 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.226 -4.102 -4.296 1.00 0.00 H new ATOM 435 N LEU A 32 0.537 -5.428 2.851 1.00 0.00 N ATOM 436 CA LEU A 32 0.646 -5.389 4.305 1.00 0.00 C ATOM 437 C LEU A 32 2.035 -5.825 4.759 1.00 0.00 C ATOM 438 O LEU A 32 2.605 -5.252 5.689 1.00 0.00 O ATOM 439 CB LEU A 32 -0.416 -6.289 4.940 1.00 0.00 C ATOM 440 CG LEU A 32 -1.795 -5.660 5.142 1.00 0.00 C ATOM 441 CD1 LEU A 32 -2.745 -6.655 5.791 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.687 -4.396 5.982 1.00 0.00 C ATOM 0 H LEU A 32 -0.399 -5.638 2.504 1.00 0.00 H new ATOM 0 HA LEU A 32 0.484 -4.361 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.531 -7.176 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.047 -6.625 5.909 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.197 -5.389 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.721 -6.190 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.846 -7.532 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.349 -6.957 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.678 -3.962 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.264 -4.642 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.041 -3.678 5.477 1.00 0.00 H new ATOM 454 N LEU A 33 2.577 -6.840 4.095 1.00 0.00 N ATOM 455 CA LEU A 33 3.902 -7.351 4.429 1.00 0.00 C ATOM 456 C LEU A 33 4.878 -7.127 3.278 1.00 0.00 C ATOM 457 O LEU A 33 4.501 -7.115 2.106 1.00 0.00 O ATOM 458 CB LEU A 33 3.826 -8.842 4.764 1.00 0.00 C ATOM 459 CG LEU A 33 2.958 -9.215 5.967 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.817 -10.726 6.075 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.546 -8.640 7.247 1.00 0.00 C ATOM 0 H LEU A 33 2.120 -7.325 3.323 1.00 0.00 H new ATOM 0 HA LEU A 33 4.265 -6.807 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.448 -9.372 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.838 -9.206 4.944 1.00 0.00 H new ATOM 0 HG LEU A 33 1.966 -8.787 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.196 -10.973 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.351 -11.114 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.802 -11.176 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.916 -8.915 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.549 -9.038 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.595 -7.554 7.169 1.00 0.00 H new ATOM 473 N PRO A 34 6.163 -6.948 3.617 1.00 0.00 N ATOM 474 CA PRO A 34 7.220 -6.724 2.627 1.00 0.00 C ATOM 475 C PRO A 34 7.511 -7.970 1.798 1.00 0.00 C ATOM 476 O PRO A 34 7.463 -9.091 2.305 1.00 0.00 O ATOM 477 CB PRO A 34 8.435 -6.354 3.481 1.00 0.00 C ATOM 478 CG PRO A 34 8.175 -6.988 4.804 1.00 0.00 C ATOM 479 CD PRO A 34 6.683 -6.951 4.995 1.00 0.00 C ATOM 0 HA PRO A 34 6.943 -5.959 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.359 -6.727 3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.539 -5.273 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.546 -8.013 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.684 -6.448 5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.328 -7.815 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.370 -6.063 5.545 1.00 0.00 H new ATOM 487 N VAL A 35 7.813 -7.768 0.519 1.00 0.00 N ATOM 488 CA VAL A 35 8.114 -8.875 -0.380 1.00 0.00 C ATOM 489 C VAL A 35 9.521 -9.410 -0.142 1.00 0.00 C ATOM 490 O VAL A 35 10.509 -8.736 -0.429 1.00 0.00 O ATOM 491 CB VAL A 35 7.980 -8.453 -1.855 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.298 -9.621 -2.776 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.585 -7.911 -2.130 1.00 0.00 C ATOM 0 H VAL A 35 7.856 -6.847 0.082 1.00 0.00 H new ATOM 0 HA VAL A 35 7.389 -9.661 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 35 8.699 -7.658 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.198 -9.304 -3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.319 -9.958 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.605 -10.439 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.508 -7.618 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.846 -8.683 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.400 -7.044 -1.496 1.00 0.00 H new ATOM 503 N ASN A 36 9.604 -10.628 0.385 1.00 0.00 N ATOM 504 CA ASN A 36 10.892 -11.254 0.663 1.00 0.00 C ATOM 505 C ASN A 36 11.719 -11.385 -0.612 1.00 0.00 C ATOM 506 O ASN A 36 11.475 -12.268 -1.436 1.00 0.00 O ATOM 507 CB ASN A 36 10.686 -12.632 1.295 1.00 0.00 C ATOM 508 CG ASN A 36 10.613 -12.570 2.808 1.00 0.00 C ATOM 509 OD1 ASN A 36 9.586 -12.892 3.405 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.707 -12.153 3.436 1.00 0.00 N ATOM 0 H ASN A 36 8.795 -11.200 0.628 1.00 0.00 H new ATOM 0 HA ASN A 36 11.434 -10.618 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.767 -13.072 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.504 -13.290 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.718 -12.090 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.536 -11.896 2.900 1.00 0.00 H new ATOM 517 N LEU A 37 12.699 -10.502 -0.768 1.00 0.00 N ATOM 518 CA LEU A 37 13.564 -10.519 -1.943 1.00 0.00 C ATOM 519 C LEU A 37 14.366 -11.814 -2.010 1.00 0.00 C ATOM 520 O LEU A 37 14.706 -12.292 -3.093 1.00 0.00 O ATOM 521 CB LEU A 37 14.513 -9.319 -1.919 1.00 0.00 C ATOM 522 CG LEU A 37 13.877 -7.967 -1.593 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.946 -6.895 -1.450 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.871 -7.579 -2.666 1.00 0.00 C ATOM 0 H LEU A 37 12.915 -9.765 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 37 12.933 -10.458 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.297 -9.515 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.998 -9.245 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 37 13.350 -8.055 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.475 -5.940 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.629 -7.167 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.501 -6.808 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.428 -6.614 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.376 -7.510 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.087 -8.335 -2.720 1.00 0.00 H new ATOM 536 N LYS A 38 14.664 -12.381 -0.846 1.00 0.00 N ATOM 537 CA LYS A 38 15.423 -13.623 -0.771 1.00 0.00 C ATOM 538 C LYS A 38 14.594 -14.799 -1.279 1.00 0.00 C ATOM 539 O LYS A 38 15.123 -15.722 -1.900 1.00 0.00 O ATOM 540 CB LYS A 38 15.871 -13.886 0.669 1.00 0.00 C ATOM 541 CG LYS A 38 17.002 -12.983 1.129 1.00 0.00 C ATOM 542 CD LYS A 38 16.475 -11.718 1.784 1.00 0.00 C ATOM 543 CE LYS A 38 17.562 -10.661 1.909 1.00 0.00 C ATOM 544 NZ LYS A 38 18.550 -11.004 2.969 1.00 0.00 N ATOM 0 H LYS A 38 14.391 -11.999 0.060 1.00 0.00 H new ATOM 0 HA LYS A 38 16.303 -13.520 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.019 -13.755 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.188 -14.925 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.635 -13.522 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.627 -12.719 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.646 -11.322 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.081 -11.955 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.076 -10.554 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.107 -9.697 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.274 -10.259 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.064 -11.081 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.003 -11.912 2.740 1.00 0.00 H new ATOM 558 N LEU A 39 13.293 -14.758 -1.013 1.00 0.00 N ATOM 559 CA LEU A 39 12.390 -15.819 -1.445 1.00 0.00 C ATOM 560 C LEU A 39 12.015 -15.651 -2.914 1.00 0.00 C ATOM 561 O LEU A 39 12.294 -16.519 -3.740 1.00 0.00 O ATOM 562 CB LEU A 39 11.128 -15.824 -0.581 1.00 0.00 C ATOM 563 CG LEU A 39 11.342 -16.019 0.920 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.021 -15.915 1.666 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.008 -17.360 1.194 1.00 0.00 C ATOM 0 H LEU A 39 12.840 -14.002 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 39 12.906 -16.772 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.604 -14.880 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.470 -16.615 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 39 12.001 -15.229 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.194 -16.057 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.584 -14.931 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.337 -16.683 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.153 -17.482 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.374 -18.164 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.975 -17.396 0.691 1.00 0.00 H new ATOM 577 N VAL A 40 11.383 -14.526 -3.232 1.00 0.00 N ATOM 578 CA VAL A 40 10.972 -14.241 -4.602 1.00 0.00 C ATOM 579 C VAL A 40 12.170 -14.235 -5.545 1.00 0.00 C ATOM 580 O VAL A 40 13.205 -13.628 -5.270 1.00 0.00 O ATOM 581 CB VAL A 40 10.248 -12.885 -4.701 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.786 -12.629 -6.127 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.075 -12.836 -3.734 1.00 0.00 C ATOM 0 H VAL A 40 11.144 -13.797 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 40 10.284 -15.034 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 40 10.949 -12.097 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.277 -11.667 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.649 -12.618 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.101 -13.419 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.575 -11.871 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.371 -13.632 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.438 -12.970 -2.715 1.00 0.00 H new ATOM 593 N PRO A 41 12.029 -14.927 -6.685 1.00 0.00 N ATOM 594 CA PRO A 41 13.089 -15.016 -7.693 1.00 0.00 C ATOM 595 C PRO A 41 13.320 -13.691 -8.411 1.00 0.00 C ATOM 596 O PRO A 41 12.827 -13.479 -9.518 1.00 0.00 O ATOM 597 CB PRO A 41 12.562 -16.069 -8.671 1.00 0.00 C ATOM 598 CG PRO A 41 11.080 -16.018 -8.520 1.00 0.00 C ATOM 599 CD PRO A 41 10.823 -15.675 -7.079 1.00 0.00 C ATOM 0 HA PRO A 41 14.052 -15.270 -7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.864 -15.845 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.950 -17.059 -8.434 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.646 -15.270 -9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.628 -16.975 -8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.922 -15.073 -6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.689 -16.570 -6.471 1.00 0.00 H new ATOM 607 N GLY A 42 14.073 -12.800 -7.772 1.00 0.00 N ATOM 608 CA GLY A 42 14.356 -11.506 -8.366 1.00 0.00 C ATOM 609 C GLY A 42 13.147 -10.593 -8.368 1.00 0.00 C ATOM 610 O GLY A 42 12.404 -10.537 -9.348 1.00 0.00 O ATOM 0 H GLY A 42 14.492 -12.951 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.168 -11.028 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.702 -11.647 -9.390 1.00 0.00 H new ATOM 614 N TYR A 43 12.948 -9.876 -7.267 1.00 0.00 N ATOM 615 CA TYR A 43 11.817 -8.963 -7.144 1.00 0.00 C ATOM 616 C TYR A 43 12.254 -7.520 -7.379 1.00 0.00 C ATOM 617 O TYR A 43 11.690 -6.817 -8.218 1.00 0.00 O ATOM 618 CB TYR A 43 11.177 -9.095 -5.761 1.00 0.00 C ATOM 619 CG TYR A 43 9.893 -8.310 -5.611 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.710 -8.760 -6.185 1.00 0.00 C ATOM 621 CD2 TYR A 43 9.863 -7.120 -4.895 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.535 -8.046 -6.051 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.692 -6.400 -4.755 1.00 0.00 C ATOM 624 CZ TYR A 43 7.531 -6.867 -5.335 1.00 0.00 C ATOM 625 OH TYR A 43 6.362 -6.154 -5.198 1.00 0.00 O ATOM 0 H TYR A 43 13.555 -9.909 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 43 11.083 -9.230 -7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.975 -10.148 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.889 -8.759 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.709 -9.683 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.770 -6.751 -4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.624 -8.409 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.686 -5.477 -4.195 1.00 0.00 H new ATOM 0 HH TYR A 43 6.530 -5.349 -4.665 1.00 0.00 H new ATOM 635 N LYS A 44 13.264 -7.086 -6.633 1.00 0.00 N ATOM 636 CA LYS A 44 13.780 -5.728 -6.760 1.00 0.00 C ATOM 637 C LYS A 44 14.119 -5.408 -8.212 1.00 0.00 C ATOM 638 O LYS A 44 13.905 -4.288 -8.678 1.00 0.00 O ATOM 639 CB LYS A 44 15.022 -5.549 -5.884 1.00 0.00 C ATOM 640 CG LYS A 44 15.239 -4.119 -5.421 1.00 0.00 C ATOM 641 CD LYS A 44 16.329 -4.033 -4.366 1.00 0.00 C ATOM 642 CE LYS A 44 16.632 -2.590 -3.993 1.00 0.00 C ATOM 643 NZ LYS A 44 17.459 -1.911 -5.028 1.00 0.00 N ATOM 0 H LYS A 44 13.742 -7.655 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 44 13.004 -5.039 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.937 -6.196 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.899 -5.879 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.508 -3.496 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.308 -3.721 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.020 -4.582 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.235 -4.512 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.697 -2.045 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.154 -2.564 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.643 -0.930 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.362 -2.415 -5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.950 -1.913 -5.935 1.00 0.00 H new ATOM 657 N LYS A 45 14.648 -6.397 -8.924 1.00 0.00 N ATOM 658 CA LYS A 45 15.014 -6.223 -10.324 1.00 0.00 C ATOM 659 C LYS A 45 13.847 -5.654 -11.125 1.00 0.00 C ATOM 660 O LYS A 45 14.026 -4.763 -11.955 1.00 0.00 O ATOM 661 CB LYS A 45 15.457 -7.557 -10.927 1.00 0.00 C ATOM 662 CG LYS A 45 16.728 -8.113 -10.307 1.00 0.00 C ATOM 663 CD LYS A 45 17.457 -9.040 -11.265 1.00 0.00 C ATOM 664 CE LYS A 45 18.174 -8.262 -12.356 1.00 0.00 C ATOM 665 NZ LYS A 45 18.610 -9.146 -13.473 1.00 0.00 N ATOM 0 H LYS A 45 14.833 -7.329 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 45 15.843 -5.517 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.655 -8.285 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.611 -7.428 -11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.385 -7.291 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.482 -8.654 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.178 -9.642 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.745 -9.731 -11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.513 -7.487 -12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.042 -7.758 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.095 -8.578 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.261 -9.871 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.779 -9.608 -13.895 1.00 0.00 H new ATOM 679 N VAL A 46 12.650 -6.174 -10.869 1.00 0.00 N ATOM 680 CA VAL A 46 11.453 -5.716 -11.564 1.00 0.00 C ATOM 681 C VAL A 46 10.900 -4.446 -10.927 1.00 0.00 C ATOM 682 O VAL A 46 10.560 -3.489 -11.623 1.00 0.00 O ATOM 683 CB VAL A 46 10.356 -6.797 -11.564 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.047 -6.230 -12.092 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.795 -8.001 -12.385 1.00 0.00 C ATOM 0 H VAL A 46 12.484 -6.913 -10.185 1.00 0.00 H new ATOM 0 HA VAL A 46 11.745 -5.505 -12.593 1.00 0.00 H new ATOM 0 HB VAL A 46 10.194 -7.125 -10.537 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.284 -7.008 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.727 -5.402 -11.459 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.190 -5.872 -13.112 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.008 -8.755 -12.374 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.986 -7.691 -13.412 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.706 -8.421 -11.957 1.00 0.00 H new ATOM 695 N ILE A 47 10.813 -4.445 -9.602 1.00 0.00 N ATOM 696 CA ILE A 47 10.302 -3.292 -8.871 1.00 0.00 C ATOM 697 C ILE A 47 11.430 -2.340 -8.488 1.00 0.00 C ATOM 698 O ILE A 47 12.326 -2.697 -7.722 1.00 0.00 O ATOM 699 CB ILE A 47 9.553 -3.721 -7.595 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.442 -4.715 -7.940 1.00 0.00 C ATOM 701 CG2 ILE A 47 8.979 -2.504 -6.884 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.368 -4.136 -8.833 1.00 0.00 C ATOM 0 H ILE A 47 11.090 -5.230 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 47 9.607 -2.780 -9.536 1.00 0.00 H new ATOM 0 HB ILE A 47 10.259 -4.211 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.882 -5.583 -8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.983 -5.069 -7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.453 -2.823 -5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.788 -1.827 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.284 -1.989 -7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.614 -4.897 -9.036 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.901 -3.286 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.814 -3.807 -9.772 1.00 0.00 H new ATOM 714 N LYS A 48 11.380 -1.126 -9.025 1.00 0.00 N ATOM 715 CA LYS A 48 12.396 -0.120 -8.739 1.00 0.00 C ATOM 716 C LYS A 48 12.323 0.327 -7.282 1.00 0.00 C ATOM 717 O LYS A 48 13.348 0.479 -6.617 1.00 0.00 O ATOM 718 CB LYS A 48 12.221 1.088 -9.663 1.00 0.00 C ATOM 719 CG LYS A 48 12.658 0.827 -11.094 1.00 0.00 C ATOM 720 CD LYS A 48 14.173 0.795 -11.217 1.00 0.00 C ATOM 721 CE LYS A 48 14.759 2.198 -11.239 1.00 0.00 C ATOM 722 NZ LYS A 48 14.432 2.917 -12.502 1.00 0.00 N ATOM 0 H LYS A 48 10.646 -0.815 -9.661 1.00 0.00 H new ATOM 0 HA LYS A 48 13.374 -0.567 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.173 1.388 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.793 1.926 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.244 -0.122 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.255 1.602 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.595 0.236 -10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.454 0.268 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.377 2.764 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.841 2.141 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.067 3.733 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.553 2.273 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.447 3.248 -12.468 1.00 0.00 H new ATOM 736 N LYS A 49 11.106 0.535 -6.792 1.00 0.00 N ATOM 737 CA LYS A 49 10.899 0.961 -5.413 1.00 0.00 C ATOM 738 C LYS A 49 9.802 0.135 -4.747 1.00 0.00 C ATOM 739 O LYS A 49 8.622 0.484 -4.780 1.00 0.00 O ATOM 740 CB LYS A 49 10.533 2.446 -5.366 1.00 0.00 C ATOM 741 CG LYS A 49 11.737 3.367 -5.265 1.00 0.00 C ATOM 742 CD LYS A 49 11.321 4.798 -4.969 1.00 0.00 C ATOM 743 CE LYS A 49 11.134 5.027 -3.477 1.00 0.00 C ATOM 744 NZ LYS A 49 12.404 5.437 -2.816 1.00 0.00 N ATOM 0 H LYS A 49 10.247 0.415 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 49 11.829 0.805 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.966 2.700 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.878 2.623 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.404 3.011 -4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.299 3.336 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.077 5.484 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.392 5.023 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.378 5.796 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.761 4.114 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.235 5.583 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.118 4.692 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.747 6.322 -3.241 1.00 0.00 H new ATOM 758 N PRO A 50 10.199 -0.985 -4.126 1.00 0.00 N ATOM 759 CA PRO A 50 9.266 -1.882 -3.438 1.00 0.00 C ATOM 760 C PRO A 50 8.696 -1.263 -2.167 1.00 0.00 C ATOM 761 O PRO A 50 9.367 -1.210 -1.136 1.00 0.00 O ATOM 762 CB PRO A 50 10.128 -3.100 -3.099 1.00 0.00 C ATOM 763 CG PRO A 50 11.520 -2.572 -3.034 1.00 0.00 C ATOM 764 CD PRO A 50 11.590 -1.463 -4.046 1.00 0.00 C ATOM 0 HA PRO A 50 8.398 -2.115 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.829 -3.545 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.034 -3.876 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.751 -2.203 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.245 -3.354 -3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.269 -0.672 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.948 -1.822 -5.011 1.00 0.00 H new ATOM 772 N MET A 51 7.455 -0.794 -2.247 1.00 0.00 N ATOM 773 CA MET A 51 6.795 -0.180 -1.101 1.00 0.00 C ATOM 774 C MET A 51 5.773 -1.131 -0.487 1.00 0.00 C ATOM 775 O MET A 51 5.409 -2.140 -1.091 1.00 0.00 O ATOM 776 CB MET A 51 6.109 1.123 -1.519 1.00 0.00 C ATOM 777 CG MET A 51 5.634 1.963 -0.345 1.00 0.00 C ATOM 778 SD MET A 51 6.952 2.319 0.833 1.00 0.00 S ATOM 779 CE MET A 51 8.168 3.079 -0.240 1.00 0.00 C ATOM 0 H MET A 51 6.886 -0.827 -3.093 1.00 0.00 H new ATOM 0 HA MET A 51 7.555 0.041 -0.351 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.802 1.712 -2.120 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.256 0.887 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.222 2.901 -0.718 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.826 1.441 0.167 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.917 3.591 0.364 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.651 2.311 -0.844 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.676 3.799 -0.895 1.00 0.00 H new ATOM 789 N ASP A 52 5.316 -0.805 0.717 1.00 0.00 N ATOM 790 CA ASP A 52 4.336 -1.631 1.413 1.00 0.00 C ATOM 791 C ASP A 52 3.617 -0.827 2.492 1.00 0.00 C ATOM 792 O ASP A 52 4.144 0.162 2.999 1.00 0.00 O ATOM 793 CB ASP A 52 5.017 -2.850 2.036 1.00 0.00 C ATOM 794 CG ASP A 52 6.135 -2.467 2.985 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.231 -2.118 2.500 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.915 -2.518 4.214 1.00 0.00 O ATOM 0 H ASP A 52 5.609 0.026 1.232 1.00 0.00 H new ATOM 0 HA ASP A 52 3.598 -1.969 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.276 -3.442 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.417 -3.483 1.244 1.00 0.00 H new ATOM 801 N PHE A 53 2.408 -1.259 2.836 1.00 0.00 N ATOM 802 CA PHE A 53 1.614 -0.579 3.853 1.00 0.00 C ATOM 803 C PHE A 53 2.360 -0.532 5.184 1.00 0.00 C ATOM 804 O PHE A 53 2.454 0.519 5.818 1.00 0.00 O ATOM 805 CB PHE A 53 0.268 -1.283 4.035 1.00 0.00 C ATOM 806 CG PHE A 53 -0.623 -1.193 2.830 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.741 -0.006 2.126 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.342 -2.297 2.400 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.561 0.080 1.016 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.164 -2.218 1.291 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.272 -1.028 0.598 1.00 0.00 C ATOM 0 H PHE A 53 1.957 -2.077 2.426 1.00 0.00 H new ATOM 0 HA PHE A 53 1.439 0.443 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.445 -2.333 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.247 -0.848 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.186 0.863 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.259 -3.230 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.645 1.012 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.721 -3.085 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.912 -0.964 -0.270 1.00 0.00 H new ATOM 821 N SER A 54 2.889 -1.678 5.600 1.00 0.00 N ATOM 822 CA SER A 54 3.623 -1.770 6.856 1.00 0.00 C ATOM 823 C SER A 54 4.687 -0.680 6.945 1.00 0.00 C ATOM 824 O SER A 54 4.876 -0.062 7.993 1.00 0.00 O ATOM 825 CB SER A 54 4.275 -3.147 6.992 1.00 0.00 C ATOM 826 OG SER A 54 5.423 -3.089 7.821 1.00 0.00 O ATOM 0 H SER A 54 2.823 -2.556 5.085 1.00 0.00 H new ATOM 0 HA SER A 54 2.914 -1.630 7.672 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.557 -3.853 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.553 -3.520 6.006 1.00 0.00 H new ATOM 0 HG SER A 54 5.820 -3.982 7.893 1.00 0.00 H new ATOM 832 N THR A 55 5.382 -0.448 5.835 1.00 0.00 N ATOM 833 CA THR A 55 6.428 0.565 5.786 1.00 0.00 C ATOM 834 C THR A 55 5.833 1.968 5.740 1.00 0.00 C ATOM 835 O THR A 55 6.102 2.795 6.612 1.00 0.00 O ATOM 836 CB THR A 55 7.343 0.368 4.562 1.00 0.00 C ATOM 837 OG1 THR A 55 8.047 -0.874 4.672 1.00 0.00 O ATOM 838 CG2 THR A 55 8.339 1.512 4.442 1.00 0.00 C ATOM 0 H THR A 55 5.239 -0.949 4.958 1.00 0.00 H new ATOM 0 HA THR A 55 7.019 0.453 6.695 1.00 0.00 H new ATOM 0 HB THR A 55 6.720 0.354 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.160 -1.266 3.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.974 1.351 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.800 2.453 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.957 1.552 5.339 1.00 0.00 H new ATOM 846 N ILE A 56 5.023 2.229 4.720 1.00 0.00 N ATOM 847 CA ILE A 56 4.388 3.532 4.563 1.00 0.00 C ATOM 848 C ILE A 56 3.782 4.010 5.878 1.00 0.00 C ATOM 849 O ILE A 56 3.763 5.207 6.165 1.00 0.00 O ATOM 850 CB ILE A 56 3.287 3.496 3.487 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.885 3.131 2.126 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.573 4.837 3.415 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.855 2.685 1.113 1.00 0.00 C ATOM 0 H ILE A 56 4.791 1.556 3.990 1.00 0.00 H new ATOM 0 HA ILE A 56 5.167 4.227 4.251 1.00 0.00 H new ATOM 0 HB ILE A 56 2.558 2.732 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.421 3.994 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.617 2.335 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.798 4.796 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.119 5.060 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.290 5.618 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.350 2.443 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.335 1.803 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.136 3.487 0.948 1.00 0.00 H new ATOM 865 N ARG A 57 3.291 3.067 6.674 1.00 0.00 N ATOM 866 CA ARG A 57 2.685 3.392 7.960 1.00 0.00 C ATOM 867 C ARG A 57 3.725 3.954 8.925 1.00 0.00 C ATOM 868 O ARG A 57 3.638 5.108 9.341 1.00 0.00 O ATOM 869 CB ARG A 57 2.029 2.150 8.567 1.00 0.00 C ATOM 870 CG ARG A 57 1.446 2.384 9.951 1.00 0.00 C ATOM 871 CD ARG A 57 0.157 3.188 9.884 1.00 0.00 C ATOM 872 NE ARG A 57 -0.989 2.358 9.521 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.655 1.605 10.390 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.292 1.580 11.665 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.687 0.877 9.983 1.00 0.00 N ATOM 0 H ARG A 57 3.301 2.072 6.452 1.00 0.00 H new ATOM 0 HA ARG A 57 1.922 4.152 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.237 1.806 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.768 1.350 8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.253 1.425 10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.173 2.911 10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.028 3.658 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.268 3.991 9.155 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.294 2.356 8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.500 2.140 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.805 1.001 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.969 0.895 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.198 0.299 10.650 1.00 0.00 H new ATOM 889 N GLU A 58 4.706 3.128 9.275 1.00 0.00 N ATOM 890 CA GLU A 58 5.761 3.544 10.192 1.00 0.00 C ATOM 891 C GLU A 58 6.280 4.933 9.832 1.00 0.00 C ATOM 892 O GLU A 58 6.610 5.732 10.708 1.00 0.00 O ATOM 893 CB GLU A 58 6.913 2.536 10.169 1.00 0.00 C ATOM 894 CG GLU A 58 6.517 1.148 10.644 1.00 0.00 C ATOM 895 CD GLU A 58 5.887 1.161 12.023 1.00 0.00 C ATOM 896 OE1 GLU A 58 6.552 1.619 12.976 1.00 0.00 O ATOM 897 OE2 GLU A 58 4.728 0.713 12.150 1.00 0.00 O ATOM 0 H GLU A 58 4.792 2.169 8.938 1.00 0.00 H new ATOM 0 HA GLU A 58 5.339 3.582 11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.303 2.466 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.723 2.908 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.816 0.711 9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.399 0.507 10.658 1.00 0.00 H new ATOM 904 N LYS A 59 6.348 5.215 8.535 1.00 0.00 N ATOM 905 CA LYS A 59 6.825 6.507 8.056 1.00 0.00 C ATOM 906 C LYS A 59 5.795 7.600 8.324 1.00 0.00 C ATOM 907 O LYS A 59 6.121 8.651 8.876 1.00 0.00 O ATOM 908 CB LYS A 59 7.133 6.437 6.559 1.00 0.00 C ATOM 909 CG LYS A 59 8.320 5.551 6.223 1.00 0.00 C ATOM 910 CD LYS A 59 8.500 5.406 4.721 1.00 0.00 C ATOM 911 CE LYS A 59 9.054 6.680 4.101 1.00 0.00 C ATOM 912 NZ LYS A 59 7.969 7.605 3.671 1.00 0.00 N ATOM 0 H LYS A 59 6.078 4.565 7.796 1.00 0.00 H new ATOM 0 HA LYS A 59 7.739 6.753 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.253 6.067 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.326 7.444 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.225 5.973 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.179 4.567 6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.174 4.575 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.543 5.162 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.697 7.185 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.676 6.426 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.156 7.933 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.057 7.106 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.935 8.422 4.313 1.00 0.00 H new ATOM 926 N LEU A 60 4.552 7.344 7.930 1.00 0.00 N ATOM 927 CA LEU A 60 3.474 8.306 8.129 1.00 0.00 C ATOM 928 C LEU A 60 3.504 8.873 9.545 1.00 0.00 C ATOM 929 O LEU A 60 3.662 10.078 9.739 1.00 0.00 O ATOM 930 CB LEU A 60 2.120 7.648 7.860 1.00 0.00 C ATOM 931 CG LEU A 60 1.017 8.569 7.338 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.336 7.879 7.417 1.00 0.00 C ATOM 933 CD2 LEU A 60 0.998 9.874 8.120 1.00 0.00 C ATOM 0 H LEU A 60 4.266 6.479 7.471 1.00 0.00 H new ATOM 0 HA LEU A 60 3.619 9.126 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.266 6.844 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.773 7.187 8.785 1.00 0.00 H new ATOM 0 HG LEU A 60 1.225 8.798 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.109 8.550 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.318 6.972 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.553 7.620 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.207 10.517 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.814 9.664 9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.959 10.377 8.012 1.00 0.00 H new ATOM 945 N SER A 61 3.354 7.995 10.532 1.00 0.00 N ATOM 946 CA SER A 61 3.362 8.408 11.930 1.00 0.00 C ATOM 947 C SER A 61 4.713 9.005 12.312 1.00 0.00 C ATOM 948 O SER A 61 4.788 9.937 13.112 1.00 0.00 O ATOM 949 CB SER A 61 3.043 7.218 12.837 1.00 0.00 C ATOM 950 OG SER A 61 3.917 6.132 12.581 1.00 0.00 O ATOM 0 H SER A 61 3.225 6.993 10.389 1.00 0.00 H new ATOM 0 HA SER A 61 2.596 9.172 12.062 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.129 7.519 13.881 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.011 6.903 12.680 1.00 0.00 H new ATOM 0 HG SER A 61 3.693 5.385 13.175 1.00 0.00 H new ATOM 956 N SER A 62 5.778 8.460 11.734 1.00 0.00 N ATOM 957 CA SER A 62 7.128 8.935 12.016 1.00 0.00 C ATOM 958 C SER A 62 7.300 10.382 11.563 1.00 0.00 C ATOM 959 O SER A 62 8.217 11.076 12.000 1.00 0.00 O ATOM 960 CB SER A 62 8.160 8.045 11.322 1.00 0.00 C ATOM 961 OG SER A 62 9.470 8.564 11.479 1.00 0.00 O ATOM 0 H SER A 62 5.733 7.689 11.068 1.00 0.00 H new ATOM 0 HA SER A 62 7.286 8.889 13.094 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.113 7.038 11.736 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.922 7.966 10.261 1.00 0.00 H new ATOM 0 HG SER A 62 10.111 7.976 11.028 1.00 0.00 H new ATOM 967 N GLY A 63 6.410 10.830 10.683 1.00 0.00 N ATOM 968 CA GLY A 63 6.480 12.191 10.184 1.00 0.00 C ATOM 969 C GLY A 63 7.462 12.339 9.039 1.00 0.00 C ATOM 970 O GLY A 63 8.162 13.347 8.940 1.00 0.00 O ATOM 0 H GLY A 63 5.642 10.275 10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.490 12.504 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.770 12.858 10.996 1.00 0.00 H new ATOM 974 N GLN A 64 7.514 11.333 8.173 1.00 0.00 N ATOM 975 CA GLN A 64 8.420 11.355 7.030 1.00 0.00 C ATOM 976 C GLN A 64 7.811 12.134 5.869 1.00 0.00 C ATOM 977 O GLN A 64 8.528 12.736 5.069 1.00 0.00 O ATOM 978 CB GLN A 64 8.750 9.929 6.586 1.00 0.00 C ATOM 979 CG GLN A 64 9.356 9.074 7.687 1.00 0.00 C ATOM 980 CD GLN A 64 10.865 9.201 7.761 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.425 10.260 7.476 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.532 8.119 8.145 1.00 0.00 N ATOM 0 H GLN A 64 6.940 10.493 8.240 1.00 0.00 H new ATOM 0 HA GLN A 64 9.339 11.854 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.840 9.450 6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.443 9.970 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.924 9.362 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.091 8.030 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.027 7.262 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.549 8.145 8.213 1.00 0.00 H new ATOM 991 N TYR A 65 6.486 12.118 5.782 1.00 0.00 N ATOM 992 CA TYR A 65 5.781 12.821 4.716 1.00 0.00 C ATOM 993 C TYR A 65 5.488 14.264 5.116 1.00 0.00 C ATOM 994 O TYR A 65 4.671 14.538 5.995 1.00 0.00 O ATOM 995 CB TYR A 65 4.476 12.099 4.377 1.00 0.00 C ATOM 996 CG TYR A 65 4.670 10.656 3.971 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.443 10.323 2.865 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.080 9.625 4.691 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.623 9.006 2.489 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.256 8.305 4.324 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.028 8.000 3.222 1.00 0.00 C ATOM 1002 OH TYR A 65 5.204 6.687 2.852 1.00 0.00 O ATOM 0 H TYR A 65 5.878 11.626 6.437 1.00 0.00 H new ATOM 0 HA TYR A 65 6.423 12.830 3.835 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.814 12.138 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.976 12.631 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.911 11.108 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.473 9.860 5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.226 8.765 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.792 7.516 4.897 1.00 0.00 H new ATOM 0 HH TYR A 65 5.949 6.623 2.218 1.00 0.00 H new ATOM 1012 N PRO A 66 6.171 15.210 4.455 1.00 0.00 N ATOM 1013 CA PRO A 66 6.002 16.641 4.722 1.00 0.00 C ATOM 1014 C PRO A 66 4.644 17.160 4.260 1.00 0.00 C ATOM 1015 O PRO A 66 4.156 18.175 4.757 1.00 0.00 O ATOM 1016 CB PRO A 66 7.126 17.289 3.910 1.00 0.00 C ATOM 1017 CG PRO A 66 7.409 16.320 2.814 1.00 0.00 C ATOM 1018 CD PRO A 66 7.161 14.955 3.395 1.00 0.00 C ATOM 0 HA PRO A 66 6.045 16.864 5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.820 18.257 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.010 17.461 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.763 16.502 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.437 16.415 2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.778 14.263 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.075 14.517 3.796 1.00 0.00 H new ATOM 1026 N ASN A 67 4.039 16.457 3.308 1.00 0.00 N ATOM 1027 CA ASN A 67 2.737 16.848 2.780 1.00 0.00 C ATOM 1028 C ASN A 67 1.984 15.636 2.239 1.00 0.00 C ATOM 1029 O ASN A 67 2.461 14.504 2.330 1.00 0.00 O ATOM 1030 CB ASN A 67 2.905 17.893 1.675 1.00 0.00 C ATOM 1031 CG ASN A 67 4.125 18.769 1.888 1.00 0.00 C ATOM 1032 OD1 ASN A 67 4.028 19.863 2.444 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.281 18.290 1.445 1.00 0.00 N ATOM 0 H ASN A 67 4.429 15.614 2.887 1.00 0.00 H new ATOM 0 HA ASN A 67 2.156 17.281 3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.986 17.389 0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.014 18.520 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.136 18.834 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.314 17.378 0.990 1.00 0.00 H new ATOM 1040 N LEU A 68 0.806 15.882 1.676 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.013 14.812 1.119 1.00 0.00 C ATOM 1042 C LEU A 68 0.641 14.215 -0.123 1.00 0.00 C ATOM 1043 O LEU A 68 0.863 13.007 -0.199 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.407 15.338 0.772 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.140 16.083 1.888 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.347 16.823 1.333 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.563 15.117 2.986 1.00 0.00 C ATOM 0 H LEU A 68 0.397 16.813 1.593 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.103 14.029 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.319 16.005 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.024 14.496 0.459 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.457 16.815 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.856 17.347 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.019 17.543 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.032 16.110 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.083 15.665 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.228 14.361 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.681 14.633 3.404 1.00 0.00 H new ATOM 1059 N GLU A 69 0.948 15.070 -1.093 1.00 0.00 N ATOM 1060 CA GLU A 69 1.579 14.626 -2.331 1.00 0.00 C ATOM 1061 C GLU A 69 2.537 13.468 -2.068 1.00 0.00 C ATOM 1062 O GLU A 69 2.417 12.399 -2.668 1.00 0.00 O ATOM 1063 CB GLU A 69 2.330 15.784 -2.991 1.00 0.00 C ATOM 1064 CG GLU A 69 2.888 15.445 -4.362 1.00 0.00 C ATOM 1065 CD GLU A 69 3.320 16.675 -5.137 1.00 0.00 C ATOM 1066 OE1 GLU A 69 2.566 17.670 -5.138 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.412 16.642 -5.742 1.00 0.00 O ATOM 0 H GLU A 69 0.770 16.073 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 69 0.795 14.281 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.657 16.637 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.149 16.092 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.740 14.775 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.133 14.906 -4.934 1.00 0.00 H new ATOM 1074 N THR A 70 3.490 13.688 -1.168 1.00 0.00 N ATOM 1075 CA THR A 70 4.470 12.665 -0.826 1.00 0.00 C ATOM 1076 C THR A 70 3.789 11.389 -0.346 1.00 0.00 C ATOM 1077 O THR A 70 4.065 10.299 -0.848 1.00 0.00 O ATOM 1078 CB THR A 70 5.440 13.158 0.265 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.713 13.485 1.455 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.217 14.376 -0.211 1.00 0.00 C ATOM 0 H THR A 70 3.604 14.566 -0.662 1.00 0.00 H new ATOM 0 HA THR A 70 5.034 12.452 -1.734 1.00 0.00 H new ATOM 0 HB THR A 70 6.147 12.357 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.893 13.965 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.895 14.706 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.792 14.116 -1.100 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.522 15.180 -0.451 1.00 0.00 H new ATOM 1088 N PHE A 71 2.897 11.531 0.629 1.00 0.00 N ATOM 1089 CA PHE A 71 2.175 10.389 1.177 1.00 0.00 C ATOM 1090 C PHE A 71 1.484 9.599 0.069 1.00 0.00 C ATOM 1091 O PHE A 71 1.608 8.377 -0.006 1.00 0.00 O ATOM 1092 CB PHE A 71 1.144 10.856 2.206 1.00 0.00 C ATOM 1093 CG PHE A 71 0.166 9.787 2.603 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.469 8.897 3.621 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.055 9.672 1.958 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.429 7.912 3.989 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.956 8.689 2.322 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.642 7.808 3.338 1.00 0.00 C ATOM 0 H PHE A 71 2.657 12.426 1.056 1.00 0.00 H new ATOM 0 HA PHE A 71 2.897 9.736 1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.665 11.209 3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.596 11.706 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.417 8.974 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.305 10.358 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.182 7.225 4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.905 8.610 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.344 7.039 3.623 1.00 0.00 H new ATOM 1108 N ALA A 72 0.756 10.307 -0.788 1.00 0.00 N ATOM 1109 CA ALA A 72 0.046 9.674 -1.892 1.00 0.00 C ATOM 1110 C ALA A 72 1.017 8.991 -2.849 1.00 0.00 C ATOM 1111 O ALA A 72 0.810 7.843 -3.245 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.796 10.700 -2.635 1.00 0.00 C ATOM 0 H ALA A 72 0.643 11.319 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.613 8.911 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.321 10.213 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.522 11.139 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.150 11.484 -3.030 1.00 0.00 H new ATOM 1118 N LEU A 73 2.076 9.703 -3.218 1.00 0.00 N ATOM 1119 CA LEU A 73 3.079 9.165 -4.130 1.00 0.00 C ATOM 1120 C LEU A 73 3.366 7.699 -3.821 1.00 0.00 C ATOM 1121 O LEU A 73 3.218 6.832 -4.683 1.00 0.00 O ATOM 1122 CB LEU A 73 4.371 9.980 -4.037 1.00 0.00 C ATOM 1123 CG LEU A 73 4.380 11.312 -4.788 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.566 12.160 -4.357 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.409 11.077 -6.291 1.00 0.00 C ATOM 0 H LEU A 73 2.262 10.654 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 73 2.686 9.233 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.577 10.178 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.191 9.368 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 73 3.465 11.851 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.556 13.104 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.502 12.358 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.492 11.627 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.415 12.036 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.306 10.517 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.527 10.510 -6.588 1.00 0.00 H new ATOM 1137 N ASP A 74 3.775 7.430 -2.587 1.00 0.00 N ATOM 1138 CA ASP A 74 4.080 6.068 -2.163 1.00 0.00 C ATOM 1139 C ASP A 74 2.866 5.160 -2.337 1.00 0.00 C ATOM 1140 O ASP A 74 2.972 4.062 -2.883 1.00 0.00 O ATOM 1141 CB ASP A 74 4.536 6.056 -0.703 1.00 0.00 C ATOM 1142 CG ASP A 74 3.523 6.697 0.225 1.00 0.00 C ATOM 1143 OD1 ASP A 74 2.441 6.106 0.422 1.00 0.00 O ATOM 1144 OD2 ASP A 74 3.813 7.791 0.755 1.00 0.00 O ATOM 0 H ASP A 74 3.903 8.136 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 74 4.887 5.690 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.712 5.027 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.487 6.583 -0.618 1.00 0.00 H new ATOM 1149 N VAL A 75 1.713 5.626 -1.868 1.00 0.00 N ATOM 1150 CA VAL A 75 0.479 4.857 -1.972 1.00 0.00 C ATOM 1151 C VAL A 75 0.227 4.413 -3.408 1.00 0.00 C ATOM 1152 O VAL A 75 0.238 3.220 -3.711 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.733 5.670 -1.478 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.014 4.864 -1.626 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.530 6.104 -0.034 1.00 0.00 C ATOM 0 H VAL A 75 1.608 6.532 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 75 0.600 3.978 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.823 6.565 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.859 5.455 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.164 4.609 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.939 3.950 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.395 6.677 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.413 5.223 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.364 6.723 0.038 1.00 0.00 H new ATOM 1165 N ARG A 76 0.000 5.382 -4.290 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.255 5.091 -5.696 1.00 0.00 C ATOM 1167 C ARG A 76 0.790 4.126 -6.250 1.00 0.00 C ATOM 1168 O ARG A 76 0.488 3.288 -7.100 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.256 6.383 -6.514 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.360 7.351 -6.121 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.952 8.794 -6.373 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.304 9.236 -7.720 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.163 10.487 -8.144 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -0.678 11.415 -7.330 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -1.506 10.811 -9.384 1.00 0.00 N ATOM 0 H ARG A 76 -0.012 6.375 -4.056 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.235 4.620 -5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.708 6.878 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.361 6.135 -7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.263 7.123 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.602 7.219 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.436 9.441 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.123 8.897 -6.227 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.679 8.546 -8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.412 11.169 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.571 12.375 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.878 10.099 -10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.397 11.772 -9.709 1.00 0.00 H new ATOM 1189 N LEU A 77 2.020 4.251 -5.763 1.00 0.00 N ATOM 1190 CA LEU A 77 3.111 3.392 -6.210 1.00 0.00 C ATOM 1191 C LEU A 77 2.918 1.964 -5.709 1.00 0.00 C ATOM 1192 O LEU A 77 3.252 1.002 -6.400 1.00 0.00 O ATOM 1193 CB LEU A 77 4.452 3.940 -5.719 1.00 0.00 C ATOM 1194 CG LEU A 77 5.671 3.050 -5.964 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.093 3.112 -7.424 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.821 3.459 -5.056 1.00 0.00 C ATOM 0 H LEU A 77 2.287 4.939 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 77 3.108 3.379 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.627 4.902 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.374 4.129 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 77 5.398 2.021 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.962 2.472 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.273 2.769 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.347 4.139 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.680 2.815 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.093 4.495 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.515 3.361 -4.014 1.00 0.00 H new ATOM 1208 N VAL A 78 2.375 1.833 -4.502 1.00 0.00 N ATOM 1209 CA VAL A 78 2.135 0.523 -3.910 1.00 0.00 C ATOM 1210 C VAL A 78 1.312 -0.359 -4.843 1.00 0.00 C ATOM 1211 O VAL A 78 1.634 -1.529 -5.053 1.00 0.00 O ATOM 1212 CB VAL A 78 1.405 0.643 -2.559 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.086 -0.735 -1.999 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.239 1.448 -1.573 1.00 0.00 C ATOM 0 H VAL A 78 2.093 2.619 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 78 3.111 0.065 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 78 0.464 1.170 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.570 -0.629 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.447 -1.273 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.012 -1.291 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.708 1.523 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.196 0.951 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.411 2.447 -1.973 1.00 0.00 H new ATOM 1224 N PHE A 79 0.248 0.209 -5.400 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.622 -0.526 -6.311 1.00 0.00 C ATOM 1226 C PHE A 79 0.084 -0.799 -7.636 1.00 0.00 C ATOM 1227 O PHE A 79 0.119 -1.935 -8.110 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.913 0.257 -6.560 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.563 0.757 -5.302 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.505 0.014 -4.134 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.232 1.970 -5.287 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.103 0.471 -2.975 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.832 2.433 -4.130 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.767 1.682 -2.973 1.00 0.00 C ATOM 0 H PHE A 79 -0.033 1.176 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.868 -1.481 -5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.695 1.105 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.617 -0.380 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.986 -0.933 -4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.286 2.561 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.051 -0.118 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.351 3.380 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.235 2.041 -2.068 1.00 0.00 H new ATOM 1244 N ASP A 80 0.644 0.249 -8.228 1.00 0.00 N ATOM 1245 CA ASP A 80 1.350 0.124 -9.498 1.00 0.00 C ATOM 1246 C ASP A 80 2.336 -1.040 -9.459 1.00 0.00 C ATOM 1247 O ASP A 80 2.181 -2.021 -10.184 1.00 0.00 O ATOM 1248 CB ASP A 80 2.089 1.422 -9.826 1.00 0.00 C ATOM 1249 CG ASP A 80 2.433 1.536 -11.298 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.506 1.464 -12.131 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.630 1.696 -11.617 1.00 0.00 O ATOM 0 H ASP A 80 0.623 1.196 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 80 0.613 -0.072 -10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.472 2.272 -9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.005 1.474 -9.237 1.00 0.00 H new ATOM 1256 N ASN A 81 3.349 -0.923 -8.607 1.00 0.00 N ATOM 1257 CA ASN A 81 4.361 -1.965 -8.475 1.00 0.00 C ATOM 1258 C ASN A 81 3.723 -3.350 -8.512 1.00 0.00 C ATOM 1259 O ASN A 81 4.166 -4.228 -9.254 1.00 0.00 O ATOM 1260 CB ASN A 81 5.141 -1.785 -7.170 1.00 0.00 C ATOM 1261 CG ASN A 81 6.096 -0.609 -7.225 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.290 -0.001 -8.278 1.00 0.00 O ATOM 1263 ND2 ASN A 81 6.699 -0.283 -6.088 1.00 0.00 N ATOM 0 H ASN A 81 3.491 -0.117 -7.998 1.00 0.00 H new ATOM 0 HA ASN A 81 5.048 -1.878 -9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.440 -1.642 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.702 -2.695 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.353 0.499 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.508 -0.815 -5.239 1.00 0.00 H new ATOM 1270 N CYS A 82 2.682 -3.538 -7.709 1.00 0.00 N ATOM 1271 CA CYS A 82 1.983 -4.817 -7.650 1.00 0.00 C ATOM 1272 C CYS A 82 1.467 -5.218 -9.028 1.00 0.00 C ATOM 1273 O CYS A 82 1.641 -6.357 -9.459 1.00 0.00 O ATOM 1274 CB CYS A 82 0.821 -4.741 -6.658 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.446 -6.006 -6.909 1.00 0.00 S ATOM 0 H CYS A 82 2.303 -2.821 -7.090 1.00 0.00 H new ATOM 0 HA CYS A 82 2.690 -5.575 -7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.215 -4.832 -5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.357 -3.757 -6.732 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.385 -5.862 -6.022 1.00 0.00 H new ATOM 1281 N GLU A 83 0.828 -4.274 -9.713 1.00 0.00 N ATOM 1282 CA GLU A 83 0.284 -4.532 -11.041 1.00 0.00 C ATOM 1283 C GLU A 83 1.391 -4.919 -12.017 1.00 0.00 C ATOM 1284 O GLU A 83 1.146 -5.600 -13.014 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.460 -3.298 -11.559 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.830 -3.385 -13.030 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.571 -4.663 -13.371 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.694 -4.852 -12.857 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -1.029 -5.473 -14.151 1.00 0.00 O ATOM 0 H GLU A 83 0.675 -3.325 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.416 -5.364 -10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.368 -3.158 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.161 -2.416 -11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.449 -2.528 -13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.076 -3.323 -13.633 1.00 0.00 H new ATOM 1296 N THR A 84 2.611 -4.481 -11.723 1.00 0.00 N ATOM 1297 CA THR A 84 3.756 -4.779 -12.575 1.00 0.00 C ATOM 1298 C THR A 84 4.255 -6.201 -12.345 1.00 0.00 C ATOM 1299 O THR A 84 4.232 -7.032 -13.253 1.00 0.00 O ATOM 1300 CB THR A 84 4.913 -3.794 -12.325 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.512 -2.467 -12.682 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.143 -4.191 -13.127 1.00 0.00 C ATOM 0 H THR A 84 2.832 -3.919 -10.901 1.00 0.00 H new ATOM 0 HA THR A 84 3.419 -4.677 -13.607 1.00 0.00 H new ATOM 0 HB THR A 84 5.165 -3.824 -11.265 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.253 -1.846 -12.519 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.947 -3.481 -12.935 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.463 -5.190 -12.832 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.901 -4.186 -14.190 1.00 0.00 H new ATOM 1310 N PHE A 85 4.707 -6.475 -11.126 1.00 0.00 N ATOM 1311 CA PHE A 85 5.213 -7.797 -10.777 1.00 0.00 C ATOM 1312 C PHE A 85 4.102 -8.842 -10.852 1.00 0.00 C ATOM 1313 O PHE A 85 4.275 -9.904 -11.448 1.00 0.00 O ATOM 1314 CB PHE A 85 5.818 -7.781 -9.372 1.00 0.00 C ATOM 1315 CG PHE A 85 6.713 -8.954 -9.091 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.040 -8.942 -9.489 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.226 -10.070 -8.429 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.866 -10.020 -9.231 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.047 -11.151 -8.169 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.368 -11.126 -8.572 1.00 0.00 C ATOM 0 H PHE A 85 4.733 -5.799 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 85 5.988 -8.063 -11.496 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.387 -6.861 -9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.012 -7.765 -8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.434 -8.080 -10.007 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.194 -10.095 -8.113 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.899 -9.997 -9.544 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.656 -12.014 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.010 -11.971 -8.372 1.00 0.00 H new ATOM 1330 N ASN A 86 2.963 -8.531 -10.242 1.00 0.00 N ATOM 1331 CA ASN A 86 1.825 -9.442 -10.239 1.00 0.00 C ATOM 1332 C ASN A 86 0.979 -9.261 -11.495 1.00 0.00 C ATOM 1333 O ASN A 86 1.184 -8.321 -12.262 1.00 0.00 O ATOM 1334 CB ASN A 86 0.965 -9.212 -8.994 1.00 0.00 C ATOM 1335 CG ASN A 86 1.776 -9.258 -7.714 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.791 -10.269 -7.011 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.456 -8.160 -7.405 1.00 0.00 N ATOM 0 H ASN A 86 2.804 -7.655 -9.744 1.00 0.00 H new ATOM 0 HA ASN A 86 2.208 -10.462 -10.225 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.469 -8.244 -9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.182 -9.969 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.020 -8.132 -6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.414 -7.345 -8.017 1.00 0.00 H new ATOM 1344 N GLU A 87 0.028 -10.168 -11.698 1.00 0.00 N ATOM 1345 CA GLU A 87 -0.848 -10.108 -12.862 1.00 0.00 C ATOM 1346 C GLU A 87 -2.306 -10.299 -12.456 1.00 0.00 C ATOM 1347 O GLU A 87 -2.599 -10.867 -11.404 1.00 0.00 O ATOM 1348 CB GLU A 87 -0.448 -11.173 -13.885 1.00 0.00 C ATOM 1349 CG GLU A 87 0.625 -10.712 -14.857 1.00 0.00 C ATOM 1350 CD GLU A 87 0.527 -11.402 -16.204 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -0.539 -11.298 -16.846 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.515 -12.044 -16.616 1.00 0.00 O ATOM 0 H GLU A 87 -0.155 -10.952 -11.072 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.741 -9.122 -13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.091 -12.057 -13.356 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.332 -11.473 -14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.543 -9.634 -14.998 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.607 -10.903 -14.425 1.00 0.00 H new ATOM 1359 N ASP A 88 -3.216 -9.819 -13.297 1.00 0.00 N ATOM 1360 CA ASP A 88 -4.644 -9.937 -13.026 1.00 0.00 C ATOM 1361 C ASP A 88 -5.026 -11.386 -12.740 1.00 0.00 C ATOM 1362 O ASP A 88 -6.042 -11.656 -12.100 1.00 0.00 O ATOM 1363 CB ASP A 88 -5.455 -9.408 -14.211 1.00 0.00 C ATOM 1364 CG ASP A 88 -5.177 -10.172 -15.490 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -4.245 -9.781 -16.224 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -5.891 -11.161 -15.758 1.00 0.00 O ATOM 0 H ASP A 88 -2.990 -9.345 -14.171 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.871 -9.339 -12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.518 -9.471 -13.977 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.224 -8.354 -14.364 1.00 0.00 H new ATOM 1371 N ASP A 89 -4.205 -12.314 -13.219 1.00 0.00 N ATOM 1372 CA ASP A 89 -4.455 -13.736 -13.015 1.00 0.00 C ATOM 1373 C ASP A 89 -3.966 -14.182 -11.641 1.00 0.00 C ATOM 1374 O ASP A 89 -4.465 -15.158 -11.080 1.00 0.00 O ATOM 1375 CB ASP A 89 -3.769 -14.559 -14.107 1.00 0.00 C ATOM 1376 CG ASP A 89 -4.242 -15.999 -14.130 1.00 0.00 C ATOM 1377 OD1 ASP A 89 -5.399 -16.249 -13.735 1.00 0.00 O ATOM 1378 OD2 ASP A 89 -3.453 -16.876 -14.541 1.00 0.00 O ATOM 0 H ASP A 89 -3.360 -12.107 -13.752 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.531 -13.902 -13.069 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.961 -14.101 -15.077 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.690 -14.536 -13.951 1.00 0.00 H new ATOM 1383 N SER A 90 -2.985 -13.463 -11.105 1.00 0.00 N ATOM 1384 CA SER A 90 -2.425 -13.787 -9.799 1.00 0.00 C ATOM 1385 C SER A 90 -3.246 -13.150 -8.682 1.00 0.00 C ATOM 1386 O SER A 90 -3.720 -12.022 -8.811 1.00 0.00 O ATOM 1387 CB SER A 90 -0.972 -13.315 -9.712 1.00 0.00 C ATOM 1388 OG SER A 90 -0.902 -11.924 -9.452 1.00 0.00 O ATOM 0 H SER A 90 -2.562 -12.652 -11.556 1.00 0.00 H new ATOM 0 HA SER A 90 -2.456 -14.870 -9.677 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.455 -13.862 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.457 -13.540 -10.646 1.00 0.00 H new ATOM 0 HG SER A 90 -1.584 -11.458 -9.979 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.409 -13.883 -7.585 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.172 -13.390 -6.444 1.00 0.00 C ATOM 1396 C ASP A 91 -3.823 -11.936 -6.143 1.00 0.00 C ATOM 1397 O ASP A 91 -4.662 -11.046 -6.277 1.00 0.00 O ATOM 1398 CB ASP A 91 -3.904 -14.257 -5.213 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.168 -15.728 -5.471 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -3.330 -16.373 -6.136 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.211 -16.233 -5.008 1.00 0.00 O ATOM 0 H ASP A 91 -3.023 -14.819 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.231 -13.445 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.868 -14.127 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.532 -13.917 -4.389 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.579 -11.704 -5.736 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.120 -10.358 -5.417 1.00 0.00 C ATOM 1408 C ILE A 92 -2.543 -9.363 -6.492 1.00 0.00 C ATOM 1409 O ILE A 92 -3.102 -8.308 -6.191 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.588 -10.308 -5.262 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.159 -11.038 -3.987 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.105 -8.866 -5.241 1.00 0.00 C ATOM 1413 CD1 ILE A 92 1.319 -10.916 -3.690 1.00 0.00 C ATOM 0 H ILE A 92 -1.872 -12.430 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.583 -10.083 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.134 -10.810 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.725 -10.642 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.417 -12.093 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.979 -8.847 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.384 -8.375 -6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.564 -8.341 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.552 -11.457 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.892 -11.338 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.580 -9.865 -3.567 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.275 -9.706 -7.748 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.637 -8.834 -8.849 1.00 0.00 C ATOM 1427 C GLY A 93 -4.016 -8.227 -8.680 1.00 0.00 C ATOM 1428 O GLY A 93 -4.152 -7.016 -8.510 1.00 0.00 O ATOM 0 H GLY A 93 -1.813 -10.573 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.900 -8.035 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.604 -9.398 -9.781 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.041 -9.071 -8.728 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.417 -8.611 -8.582 1.00 0.00 C ATOM 1434 C ARG A 94 -6.548 -7.658 -7.398 1.00 0.00 C ATOM 1435 O ARG A 94 -6.987 -6.518 -7.551 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.359 -9.802 -8.398 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.282 -10.819 -9.525 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.154 -12.033 -9.241 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.458 -12.784 -10.455 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.421 -12.448 -11.306 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.168 -11.377 -11.076 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -9.637 -13.182 -12.390 1.00 0.00 N ATOM 0 H ARG A 94 -4.945 -10.077 -8.867 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.693 -8.076 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.125 -10.298 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.383 -9.436 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.598 -10.354 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.248 -11.136 -9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.647 -12.685 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.084 -11.710 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.900 -13.613 -10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.004 -10.810 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.907 -11.121 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.063 -14.006 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.377 -12.923 -13.042 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.165 -8.132 -6.217 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.238 -7.322 -5.008 1.00 0.00 C ATOM 1458 C ALA A 95 -5.873 -5.870 -5.297 1.00 0.00 C ATOM 1459 O ALA A 95 -6.569 -4.948 -4.874 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.326 -7.894 -3.933 1.00 0.00 C ATOM 0 H ALA A 95 -5.801 -9.074 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.266 -7.346 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.391 -7.279 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.635 -8.912 -3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.298 -7.901 -4.294 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.774 -5.674 -6.019 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.334 -4.331 -6.351 1.00 0.00 C ATOM 1468 C GLY A 96 -5.400 -3.536 -7.080 1.00 0.00 C ATOM 1469 O GLY A 96 -5.560 -2.338 -6.844 1.00 0.00 O ATOM 0 H GLY A 96 -4.180 -6.421 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.055 -3.807 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.439 -4.388 -6.971 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.129 -4.203 -7.969 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.184 -3.550 -8.735 1.00 0.00 C ATOM 1475 C HIS A 97 -8.301 -3.062 -7.817 1.00 0.00 C ATOM 1476 O HIS A 97 -8.899 -2.014 -8.055 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.752 -4.509 -9.782 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.925 -4.594 -11.028 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.662 -3.505 -11.832 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -6.300 -5.646 -11.606 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.913 -3.883 -12.851 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.679 -5.178 -12.738 1.00 0.00 N ATOM 0 H HIS A 97 -6.009 -5.194 -8.176 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.750 -2.687 -9.240 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.837 -5.503 -9.344 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.760 -4.190 -10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.291 -6.664 -11.245 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.553 -3.242 -13.642 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.127 -5.739 -13.386 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.575 -3.829 -6.767 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.620 -3.476 -5.814 1.00 0.00 C ATOM 1492 C ASN A 98 -9.148 -2.372 -4.873 1.00 0.00 C ATOM 1493 O ASN A 98 -9.917 -1.486 -4.503 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.040 -4.705 -5.006 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.046 -5.567 -5.744 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.713 -5.106 -6.671 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.159 -6.825 -5.335 1.00 0.00 N ATOM 0 H ASN A 98 -8.087 -4.699 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.479 -3.108 -6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.158 -5.301 -4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.469 -4.383 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.819 -7.453 -5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.585 -7.164 -4.562 1.00 0.00 H new ATOM 1504 N MET A 99 -7.876 -2.432 -4.490 1.00 0.00 N ATOM 1505 CA MET A 99 -7.300 -1.437 -3.594 1.00 0.00 C ATOM 1506 C MET A 99 -7.211 -0.076 -4.278 1.00 0.00 C ATOM 1507 O MET A 99 -7.436 0.960 -3.652 1.00 0.00 O ATOM 1508 CB MET A 99 -5.911 -1.879 -3.130 1.00 0.00 C ATOM 1509 CG MET A 99 -5.927 -3.141 -2.282 1.00 0.00 C ATOM 1510 SD MET A 99 -7.186 -3.094 -0.992 1.00 0.00 S ATOM 1511 CE MET A 99 -6.946 -1.441 -0.344 1.00 0.00 C ATOM 0 H MET A 99 -7.225 -3.159 -4.787 1.00 0.00 H new ATOM 0 HA MET A 99 -7.953 -1.346 -2.726 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.281 -2.046 -4.004 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.454 -1.072 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.103 -4.004 -2.925 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.948 -3.279 -1.824 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.246 -1.414 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.894 -1.167 -0.428 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.551 -0.736 -0.913 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.881 -0.086 -5.565 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.761 1.147 -6.333 1.00 0.00 C ATOM 1523 C ARG A 100 -8.060 1.946 -6.285 1.00 0.00 C ATOM 1524 O ARG A 100 -8.076 3.101 -5.859 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.395 0.835 -7.785 1.00 0.00 C ATOM 1526 CG ARG A 100 -4.933 0.467 -7.980 1.00 0.00 C ATOM 1527 CD ARG A 100 -4.744 -0.449 -9.179 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.496 0.302 -10.407 1.00 0.00 N ATOM 1529 CZ ARG A 100 -5.461 0.789 -11.179 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -6.732 0.605 -10.851 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -5.155 1.462 -12.281 1.00 0.00 N ATOM 0 H ARG A 100 -6.692 -0.935 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.968 1.748 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.018 0.014 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.628 1.702 -8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.344 1.374 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.558 -0.025 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.909 -1.124 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.632 -1.068 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.528 0.461 -10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.971 0.089 -10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.471 0.980 -11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.178 1.606 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.897 1.835 -12.873 1.00 0.00 H new ATOM 1545 N LYS A 101 -9.148 1.324 -6.726 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.453 1.975 -6.733 1.00 0.00 C ATOM 1547 C LYS A 101 -10.819 2.475 -5.339 1.00 0.00 C ATOM 1548 O LYS A 101 -11.683 3.339 -5.186 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.526 1.008 -7.238 1.00 0.00 C ATOM 1550 CG LYS A 101 -12.021 0.041 -6.176 1.00 0.00 C ATOM 1551 CD LYS A 101 -13.345 -0.591 -6.571 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.625 -1.849 -5.764 1.00 0.00 C ATOM 1553 NZ LYS A 101 -14.955 -2.434 -6.091 1.00 0.00 N ATOM 0 H LYS A 101 -9.152 0.369 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.400 2.832 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.371 1.582 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.125 0.439 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.277 -0.740 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.136 0.568 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -14.151 0.127 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.330 -0.835 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.846 -2.586 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.583 -1.615 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.108 -3.290 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.701 -1.740 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.987 -2.681 -7.101 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.157 1.927 -4.326 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.413 2.317 -2.945 1.00 0.00 C ATOM 1569 C TYR A 102 -9.730 3.641 -2.617 1.00 0.00 C ATOM 1570 O TYR A 102 -10.322 4.521 -1.991 1.00 0.00 O ATOM 1571 CB TYR A 102 -9.928 1.228 -1.987 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.458 1.380 -0.579 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.208 2.531 0.158 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -11.211 0.373 0.013 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -10.690 2.673 1.445 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -11.698 0.507 1.299 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.435 1.659 2.011 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.918 1.798 3.292 1.00 0.00 O ATOM 0 H TYR A 102 -9.439 1.211 -4.436 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.489 2.445 -2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.227 0.255 -2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.838 1.239 -1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.627 3.328 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -11.419 -0.530 -0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.485 3.573 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.281 -0.285 1.744 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.423 0.996 3.540 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.478 3.775 -3.044 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.712 4.990 -2.796 1.00 0.00 C ATOM 1590 C PHE A 103 -8.155 6.113 -3.729 1.00 0.00 C ATOM 1591 O PHE A 103 -8.262 7.268 -3.320 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.216 4.722 -2.978 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.349 5.894 -2.621 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.246 6.323 -1.307 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.636 6.569 -3.599 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.449 7.402 -0.975 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.837 7.648 -3.273 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.744 8.066 -1.960 1.00 0.00 C ATOM 0 H PHE A 103 -7.973 3.057 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.896 5.301 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.931 3.869 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.028 4.444 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.795 5.808 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.706 6.248 -4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.377 7.726 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.285 8.164 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.121 8.910 -1.704 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.412 5.763 -4.986 1.00 0.00 N ATOM 1609 CA GLU A 104 -8.842 6.742 -5.978 1.00 0.00 C ATOM 1610 C GLU A 104 -10.222 7.295 -5.633 1.00 0.00 C ATOM 1611 O GLU A 104 -10.502 8.474 -5.849 1.00 0.00 O ATOM 1612 CB GLU A 104 -8.867 6.111 -7.372 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.552 5.461 -7.770 1.00 0.00 C ATOM 1614 CD GLU A 104 -6.610 6.427 -8.460 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -6.318 7.491 -7.875 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.165 6.120 -9.586 1.00 0.00 O ATOM 0 H GLU A 104 -8.330 4.810 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.128 7.565 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.658 5.362 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.120 6.878 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.066 5.058 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.753 4.619 -8.433 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.081 6.435 -5.097 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.431 6.835 -4.721 1.00 0.00 C ATOM 1625 C LYS A 105 -12.436 7.519 -3.357 1.00 0.00 C ATOM 1626 O LYS A 105 -13.052 8.570 -3.180 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.358 5.617 -4.696 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.833 5.975 -4.753 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.354 6.410 -3.394 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.874 6.474 -3.374 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.394 7.562 -4.249 1.00 0.00 N ATOM 0 H LYS A 105 -10.866 5.455 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.793 7.544 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.117 4.970 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.167 5.044 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.986 6.776 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.404 5.115 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.008 5.713 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.944 7.388 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.282 5.518 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.218 6.634 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.433 7.573 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.025 8.477 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.088 7.396 -5.229 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.745 6.916 -2.396 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.667 7.467 -1.048 1.00 0.00 C ATOM 1647 C LYS A 106 -10.904 8.788 -1.044 1.00 0.00 C ATOM 1648 O LYS A 106 -11.316 9.751 -0.396 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.988 6.470 -0.106 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.890 6.960 1.329 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.255 7.005 1.997 1.00 0.00 C ATOM 1652 CE LYS A 106 -12.132 7.034 3.513 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.676 5.726 4.058 1.00 0.00 N ATOM 0 H LYS A 106 -11.230 6.045 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.683 7.653 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.541 5.531 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.986 6.256 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.229 6.303 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.443 7.954 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.798 7.887 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.838 6.135 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.429 7.814 3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.096 7.293 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.184 5.522 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.871 4.975 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.654 5.766 4.247 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.794 8.826 -1.771 1.00 0.00 N ATOM 1668 CA TRP A 107 -8.974 10.030 -1.851 1.00 0.00 C ATOM 1669 C TRP A 107 -9.749 11.174 -2.497 1.00 0.00 C ATOM 1670 O TRP A 107 -9.910 12.241 -1.904 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.697 9.751 -2.645 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.713 10.880 -2.604 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.578 11.883 -3.521 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.726 11.120 -1.595 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.566 12.733 -3.142 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.028 12.287 -1.964 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.365 10.465 -0.415 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.991 12.808 -1.195 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.336 10.984 0.348 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.659 12.146 -0.044 1.00 0.00 C ATOM 0 H TRP A 107 -9.441 8.038 -2.314 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.705 10.324 -0.837 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.223 8.851 -2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.961 9.546 -3.683 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.178 11.992 -4.412 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.265 13.562 -3.655 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.881 9.569 -0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.467 13.703 -1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -4.049 10.485 1.262 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.859 12.527 0.574 1.00 0.00 H new ATOM 1691 N THR A 108 -10.229 10.944 -3.716 1.00 0.00 N ATOM 1692 CA THR A 108 -10.986 11.956 -4.442 1.00 0.00 C ATOM 1693 C THR A 108 -12.153 12.472 -3.608 1.00 0.00 C ATOM 1694 O THR A 108 -12.565 13.624 -3.747 1.00 0.00 O ATOM 1695 CB THR A 108 -11.527 11.403 -5.774 1.00 0.00 C ATOM 1696 OG1 THR A 108 -11.933 12.483 -6.623 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.703 10.469 -5.536 1.00 0.00 C ATOM 0 H THR A 108 -10.107 10.066 -4.220 1.00 0.00 H new ATOM 0 HA THR A 108 -10.300 12.777 -4.649 1.00 0.00 H new ATOM 0 HB THR A 108 -10.730 10.839 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.274 12.124 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.067 10.092 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.384 9.633 -4.914 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.503 11.012 -5.032 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.681 11.615 -2.742 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.800 11.986 -1.884 1.00 0.00 C ATOM 1707 C ASP A 109 -13.307 12.664 -0.610 1.00 0.00 C ATOM 1708 O ASP A 109 -14.055 13.380 0.055 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.631 10.751 -1.531 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.091 11.084 -1.295 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.379 12.220 -0.862 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.946 10.209 -1.543 1.00 0.00 O ATOM 0 H ASP A 109 -12.352 10.658 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.426 12.692 -2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.553 10.022 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.219 10.283 -0.637 1.00 0.00 H new ATOM 1717 N THR A 110 -12.042 12.431 -0.274 1.00 0.00 N ATOM 1718 CA THR A 110 -11.448 13.017 0.921 1.00 0.00 C ATOM 1719 C THR A 110 -11.117 14.489 0.706 1.00 0.00 C ATOM 1720 O THR A 110 -11.600 15.358 1.434 1.00 0.00 O ATOM 1721 CB THR A 110 -10.167 12.270 1.337 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.490 10.940 1.758 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.453 13.004 2.462 1.00 0.00 C ATOM 0 H THR A 110 -11.409 11.840 -0.813 1.00 0.00 H new ATOM 0 HA THR A 110 -12.187 12.926 1.717 1.00 0.00 H new ATOM 0 HB THR A 110 -9.502 12.226 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.630 10.373 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.551 12.457 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.182 14.006 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.113 13.076 3.326 1.00 0.00 H new ATOM 1731 N PHE A 111 -10.292 14.765 -0.299 1.00 0.00 N ATOM 1732 CA PHE A 111 -9.896 16.133 -0.610 1.00 0.00 C ATOM 1733 C PHE A 111 -10.708 16.682 -1.779 1.00 0.00 C ATOM 1734 O PHE A 111 -11.544 17.569 -1.608 1.00 0.00 O ATOM 1735 CB PHE A 111 -8.403 16.192 -0.939 1.00 0.00 C ATOM 1736 CG PHE A 111 -7.525 15.665 0.160 1.00 0.00 C ATOM 1737 CD1 PHE A 111 -7.105 16.495 1.188 1.00 0.00 C ATOM 1738 CD2 PHE A 111 -7.120 14.340 0.166 1.00 0.00 C ATOM 1739 CE1 PHE A 111 -6.298 16.013 2.201 1.00 0.00 C ATOM 1740 CE2 PHE A 111 -6.313 13.853 1.177 1.00 0.00 C ATOM 1741 CZ PHE A 111 -5.901 14.691 2.195 1.00 0.00 C ATOM 0 H PHE A 111 -9.885 14.059 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 111 -10.092 16.750 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.217 15.620 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.126 17.225 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.412 17.530 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.438 13.681 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.978 16.670 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.005 12.818 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.269 14.312 2.985 1.00 0.00 H new ATOM 1751 N LYS A 112 -10.455 16.148 -2.969 1.00 0.00 N ATOM 1752 CA LYS A 112 -11.162 16.581 -4.169 1.00 0.00 C ATOM 1753 C LYS A 112 -12.669 16.595 -3.937 1.00 0.00 C ATOM 1754 O LYS A 112 -13.146 16.218 -2.866 1.00 0.00 O ATOM 1755 CB LYS A 112 -10.824 15.662 -5.345 1.00 0.00 C ATOM 1756 CG LYS A 112 -9.349 15.656 -5.707 1.00 0.00 C ATOM 1757 CD LYS A 112 -9.049 14.648 -6.805 1.00 0.00 C ATOM 1758 CE LYS A 112 -9.759 15.008 -8.101 1.00 0.00 C ATOM 1759 NZ LYS A 112 -9.473 14.024 -9.181 1.00 0.00 N ATOM 0 H LYS A 112 -9.765 15.414 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.839 17.595 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.134 14.646 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.402 15.972 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.049 16.652 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.757 15.419 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.974 14.606 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.359 13.654 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.834 15.053 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.446 16.001 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.975 14.304 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.450 13.999 -9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.794 13.080 -8.885 1.00 0.00 H new TER 1773 LYS A 112