USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 54 SER OG : rot 36:sc= 0.065 USER MOD Set 1.2: A 56 SER OG : rot -170:sc= -0.0161 USER MOD Set 2.1: A 49 TYR OH : rot -152:sc= -3.32! USER MOD Set 2.2: A 62 SER OG : rot 86:sc= 0.0035 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.585 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 19 ASN : amide:sc= -0.0498 K(o=-0.05,f=-1.6!) USER MOD Single : A 22 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.014) USER MOD Single : A 30 GLN : amide:sc= 0.571 K(o=0.57,f=-0.17) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 51 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.55) USER MOD Single : A 52 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00132 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -147:sc= 0.38 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 159:sc= -2.63 (180deg=-4.68!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 68:sc= 0.593 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -53:sc= 0.45 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.041 -14.090 -23.240 1.00 0.00 N ATOM 2 CA GLY A 1 17.364 -14.113 -21.825 1.00 0.00 C ATOM 3 C GLY A 1 16.170 -13.781 -20.953 1.00 0.00 C ATOM 4 O GLY A 1 16.042 -12.659 -20.464 1.00 0.00 O ATOM 0 H1 GLY A 1 17.890 -14.323 -23.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.296 -14.788 -23.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.705 -13.142 -23.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.742 -15.100 -21.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.164 -13.400 -21.626 1.00 0.00 H new ATOM 8 N SER A 2 15.291 -14.759 -20.758 1.00 0.00 N ATOM 9 CA SER A 2 14.098 -14.564 -19.943 1.00 0.00 C ATOM 10 C SER A 2 13.599 -15.893 -19.383 1.00 0.00 C ATOM 11 O SER A 2 13.317 -16.828 -20.132 1.00 0.00 O ATOM 12 CB SER A 2 12.995 -13.898 -20.767 1.00 0.00 C ATOM 13 OG SER A 2 12.506 -14.775 -21.768 1.00 0.00 O ATOM 0 H SER A 2 15.383 -15.695 -21.154 1.00 0.00 H new ATOM 0 HA SER A 2 14.361 -13.914 -19.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.178 -13.598 -20.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.381 -12.990 -21.231 1.00 0.00 H new ATOM 0 HG SER A 2 12.692 -15.702 -21.510 1.00 0.00 H new ATOM 19 N SER A 3 13.492 -15.967 -18.060 1.00 0.00 N ATOM 20 CA SER A 3 13.031 -17.182 -17.398 1.00 0.00 C ATOM 21 C SER A 3 12.019 -16.854 -16.304 1.00 0.00 C ATOM 22 O SER A 3 12.210 -15.920 -15.526 1.00 0.00 O ATOM 23 CB SER A 3 14.215 -17.944 -16.801 1.00 0.00 C ATOM 24 OG SER A 3 13.775 -18.950 -15.905 1.00 0.00 O ATOM 0 H SER A 3 13.718 -15.201 -17.426 1.00 0.00 H new ATOM 0 HA SER A 3 12.543 -17.810 -18.144 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.801 -18.396 -17.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.872 -17.249 -16.278 1.00 0.00 H new ATOM 0 HG SER A 3 14.551 -19.424 -15.538 1.00 0.00 H new ATOM 30 N GLY A 4 10.940 -17.629 -16.252 1.00 0.00 N ATOM 31 CA GLY A 4 9.914 -17.406 -15.251 1.00 0.00 C ATOM 32 C GLY A 4 8.743 -18.357 -15.399 1.00 0.00 C ATOM 33 O GLY A 4 8.611 -19.036 -16.417 1.00 0.00 O ATOM 0 H GLY A 4 10.758 -18.407 -16.886 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.348 -17.521 -14.258 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.556 -16.379 -15.325 1.00 0.00 H new ATOM 37 N SER A 5 7.892 -18.409 -14.379 1.00 0.00 N ATOM 38 CA SER A 5 6.729 -19.288 -14.398 1.00 0.00 C ATOM 39 C SER A 5 5.436 -18.482 -14.321 1.00 0.00 C ATOM 40 O SER A 5 5.457 -17.277 -14.071 1.00 0.00 O ATOM 41 CB SER A 5 6.794 -20.280 -13.235 1.00 0.00 C ATOM 42 OG SER A 5 8.027 -20.978 -13.229 1.00 0.00 O ATOM 0 H SER A 5 7.986 -17.853 -13.529 1.00 0.00 H new ATOM 0 HA SER A 5 6.737 -19.839 -15.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.669 -19.748 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.971 -20.990 -13.312 1.00 0.00 H new ATOM 0 HG SER A 5 8.045 -21.604 -12.476 1.00 0.00 H new ATOM 48 N SER A 6 4.311 -19.156 -14.539 1.00 0.00 N ATOM 49 CA SER A 6 3.009 -18.503 -14.499 1.00 0.00 C ATOM 50 C SER A 6 2.298 -18.788 -13.179 1.00 0.00 C ATOM 51 O SER A 6 1.652 -19.823 -13.020 1.00 0.00 O ATOM 52 CB SER A 6 2.143 -18.972 -15.669 1.00 0.00 C ATOM 53 OG SER A 6 2.743 -18.646 -16.911 1.00 0.00 O ATOM 0 H SER A 6 4.276 -20.154 -14.745 1.00 0.00 H new ATOM 0 HA SER A 6 3.167 -17.428 -14.582 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.994 -20.050 -15.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.158 -18.509 -15.605 1.00 0.00 H new ATOM 0 HG SER A 6 2.171 -18.958 -17.643 1.00 0.00 H new ATOM 59 N GLY A 7 2.423 -17.861 -12.234 1.00 0.00 N ATOM 60 CA GLY A 7 1.788 -18.031 -10.940 1.00 0.00 C ATOM 61 C GLY A 7 0.961 -16.826 -10.537 1.00 0.00 C ATOM 62 O GLY A 7 1.293 -15.684 -10.855 1.00 0.00 O ATOM 0 H GLY A 7 2.952 -16.996 -12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.149 -18.914 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.553 -18.212 -10.185 1.00 0.00 H new ATOM 66 N PRO A 8 -0.146 -17.076 -9.822 1.00 0.00 N ATOM 67 CA PRO A 8 -1.047 -16.015 -9.361 1.00 0.00 C ATOM 68 C PRO A 8 -0.418 -15.154 -8.271 1.00 0.00 C ATOM 69 O PRO A 8 -0.415 -13.927 -8.361 1.00 0.00 O ATOM 70 CB PRO A 8 -2.248 -16.786 -8.808 1.00 0.00 C ATOM 71 CG PRO A 8 -1.700 -18.116 -8.423 1.00 0.00 C ATOM 72 CD PRO A 8 -0.603 -18.413 -9.407 1.00 0.00 C ATOM 0 HA PRO A 8 -1.301 -15.319 -10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.686 -16.275 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.034 -16.884 -9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.315 -18.099 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.474 -18.882 -8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.202 -18.989 -8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.969 -18.993 -10.254 1.00 0.00 H new ATOM 80 N GLY A 9 0.114 -15.805 -7.242 1.00 0.00 N ATOM 81 CA GLY A 9 0.739 -15.082 -6.149 1.00 0.00 C ATOM 82 C GLY A 9 1.774 -14.086 -6.630 1.00 0.00 C ATOM 83 O GLY A 9 2.420 -14.297 -7.657 1.00 0.00 O ATOM 0 H GLY A 9 0.124 -16.820 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.028 -14.558 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.211 -15.792 -5.470 1.00 0.00 H new ATOM 87 N LEU A 10 1.932 -12.995 -5.889 1.00 0.00 N ATOM 88 CA LEU A 10 2.896 -11.960 -6.247 1.00 0.00 C ATOM 89 C LEU A 10 4.304 -12.353 -5.812 1.00 0.00 C ATOM 90 O LEU A 10 4.498 -12.916 -4.735 1.00 0.00 O ATOM 91 CB LEU A 10 2.505 -10.628 -5.604 1.00 0.00 C ATOM 92 CG LEU A 10 1.386 -9.850 -6.298 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.965 -8.656 -5.456 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.827 -9.401 -7.683 1.00 0.00 C ATOM 0 H LEU A 10 1.405 -12.804 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 10 2.888 -11.850 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.203 -10.819 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.390 -9.993 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 10 0.526 -10.510 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.168 -8.114 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.606 -9.003 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.819 -7.994 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.018 -8.849 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.703 -8.758 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.077 -10.274 -8.286 1.00 0.00 H new ATOM 106 N SER A 11 5.284 -12.052 -6.658 1.00 0.00 N ATOM 107 CA SER A 11 6.675 -12.375 -6.362 1.00 0.00 C ATOM 108 C SER A 11 7.280 -11.352 -5.405 1.00 0.00 C ATOM 109 O SER A 11 8.392 -10.867 -5.618 1.00 0.00 O ATOM 110 CB SER A 11 7.494 -12.429 -7.653 1.00 0.00 C ATOM 111 OG SER A 11 6.900 -13.302 -8.598 1.00 0.00 O ATOM 0 H SER A 11 5.141 -11.585 -7.553 1.00 0.00 H new ATOM 0 HA SER A 11 6.700 -13.354 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.575 -11.429 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.507 -12.764 -7.431 1.00 0.00 H new ATOM 0 HG SER A 11 7.442 -13.317 -9.415 1.00 0.00 H new ATOM 117 N LEU A 12 6.539 -11.029 -4.351 1.00 0.00 N ATOM 118 CA LEU A 12 7.000 -10.063 -3.360 1.00 0.00 C ATOM 119 C LEU A 12 7.314 -10.750 -2.035 1.00 0.00 C ATOM 120 O LEU A 12 6.960 -11.910 -1.826 1.00 0.00 O ATOM 121 CB LEU A 12 5.944 -8.977 -3.146 1.00 0.00 C ATOM 122 CG LEU A 12 5.702 -8.035 -4.326 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.277 -7.504 -4.301 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.701 -6.887 -4.305 1.00 0.00 C ATOM 0 H LEU A 12 5.617 -11.422 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 12 7.914 -9.603 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.000 -9.461 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.237 -8.379 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 12 5.843 -8.596 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.123 -6.835 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.577 -8.337 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.108 -6.958 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.514 -6.227 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.592 -6.327 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.714 -7.285 -4.372 1.00 0.00 H new ATOM 136 N GLY A 13 7.981 -10.026 -1.141 1.00 0.00 N ATOM 137 CA GLY A 13 8.330 -10.582 0.153 1.00 0.00 C ATOM 138 C GLY A 13 7.588 -9.910 1.292 1.00 0.00 C ATOM 139 O GLY A 13 7.295 -8.716 1.231 1.00 0.00 O ATOM 0 H GLY A 13 8.286 -9.064 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.108 -11.649 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.403 -10.479 0.312 1.00 0.00 H new ATOM 143 N ASP A 14 7.283 -10.678 2.331 1.00 0.00 N ATOM 144 CA ASP A 14 6.570 -10.150 3.489 1.00 0.00 C ATOM 145 C ASP A 14 6.998 -8.716 3.783 1.00 0.00 C ATOM 146 O ASP A 14 6.171 -7.805 3.824 1.00 0.00 O ATOM 147 CB ASP A 14 6.819 -11.032 4.714 1.00 0.00 C ATOM 148 CG ASP A 14 6.489 -12.489 4.455 1.00 0.00 C ATOM 149 OD1 ASP A 14 5.313 -12.871 4.631 1.00 0.00 O ATOM 150 OD2 ASP A 14 7.406 -13.247 4.077 1.00 0.00 O ATOM 0 H ASP A 14 7.518 -11.668 2.396 1.00 0.00 H new ATOM 0 HA ASP A 14 5.504 -10.152 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.864 -10.947 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.218 -10.669 5.548 1.00 0.00 H new ATOM 155 N THR A 15 8.297 -8.523 3.990 1.00 0.00 N ATOM 156 CA THR A 15 8.836 -7.201 4.283 1.00 0.00 C ATOM 157 C THR A 15 8.360 -6.174 3.262 1.00 0.00 C ATOM 158 O THR A 15 7.793 -5.143 3.622 1.00 0.00 O ATOM 159 CB THR A 15 10.376 -7.213 4.303 1.00 0.00 C ATOM 160 OG1 THR A 15 10.847 -8.170 5.258 1.00 0.00 O ATOM 161 CG2 THR A 15 10.924 -5.836 4.645 1.00 0.00 C ATOM 0 H THR A 15 8.995 -9.266 3.960 1.00 0.00 H new ATOM 0 HA THR A 15 8.470 -6.923 5.271 1.00 0.00 H new ATOM 0 HB THR A 15 10.727 -7.490 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.827 -8.172 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.013 -5.870 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.589 -5.115 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.563 -5.535 5.628 1.00 0.00 H new ATOM 169 N ALA A 16 8.595 -6.463 1.986 1.00 0.00 N ATOM 170 CA ALA A 16 8.188 -5.566 0.912 1.00 0.00 C ATOM 171 C ALA A 16 6.735 -5.134 1.079 1.00 0.00 C ATOM 172 O ALA A 16 6.417 -3.946 1.008 1.00 0.00 O ATOM 173 CB ALA A 16 8.389 -6.234 -0.440 1.00 0.00 C ATOM 0 H ALA A 16 9.065 -7.312 1.671 1.00 0.00 H new ATOM 0 HA ALA A 16 8.814 -4.675 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.081 -5.552 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.442 -6.487 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.789 -7.143 -0.490 1.00 0.00 H new ATOM 179 N LEU A 17 5.856 -6.105 1.301 1.00 0.00 N ATOM 180 CA LEU A 17 4.435 -5.825 1.477 1.00 0.00 C ATOM 181 C LEU A 17 4.205 -4.912 2.678 1.00 0.00 C ATOM 182 O LEU A 17 3.533 -3.887 2.569 1.00 0.00 O ATOM 183 CB LEU A 17 3.656 -7.129 1.657 1.00 0.00 C ATOM 184 CG LEU A 17 3.594 -8.048 0.436 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.941 -9.372 0.797 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.842 -7.372 -0.702 1.00 0.00 C ATOM 0 H LEU A 17 6.102 -7.093 1.363 1.00 0.00 H new ATOM 0 HA LEU A 17 4.077 -5.316 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.102 -7.684 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.636 -6.882 1.953 1.00 0.00 H new ATOM 0 HG LEU A 17 4.613 -8.248 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.906 -10.013 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.521 -9.862 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.927 -9.192 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.807 -8.040 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.826 -7.141 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.353 -6.450 -0.979 1.00 0.00 H new ATOM 198 N GLN A 18 4.768 -5.292 3.820 1.00 0.00 N ATOM 199 CA GLN A 18 4.625 -4.507 5.040 1.00 0.00 C ATOM 200 C GLN A 18 5.007 -3.050 4.798 1.00 0.00 C ATOM 201 O GLN A 18 4.277 -2.136 5.179 1.00 0.00 O ATOM 202 CB GLN A 18 5.492 -5.095 6.155 1.00 0.00 C ATOM 203 CG GLN A 18 4.818 -6.223 6.919 1.00 0.00 C ATOM 204 CD GLN A 18 5.353 -6.373 8.329 1.00 0.00 C ATOM 205 OE1 GLN A 18 5.363 -5.418 9.107 1.00 0.00 O ATOM 206 NE2 GLN A 18 5.800 -7.577 8.668 1.00 0.00 N ATOM 0 H GLN A 18 5.327 -6.138 3.926 1.00 0.00 H new ATOM 0 HA GLN A 18 3.579 -4.544 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.422 -5.465 5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.758 -4.302 6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.744 -6.039 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.961 -7.159 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.773 -8.340 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.170 -7.738 9.605 1.00 0.00 H new ATOM 215 N ASN A 19 6.155 -2.843 4.161 1.00 0.00 N ATOM 216 CA ASN A 19 6.634 -1.496 3.869 1.00 0.00 C ATOM 217 C ASN A 19 5.696 -0.785 2.898 1.00 0.00 C ATOM 218 O ASN A 19 5.123 0.256 3.222 1.00 0.00 O ATOM 219 CB ASN A 19 8.046 -1.551 3.284 1.00 0.00 C ATOM 220 CG ASN A 19 9.098 -1.835 4.339 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.898 -1.558 5.522 1.00 0.00 O ATOM 222 ND2 ASN A 19 10.227 -2.391 3.914 1.00 0.00 N ATOM 0 H ASN A 19 6.770 -3.589 3.837 1.00 0.00 H new ATOM 0 HA ASN A 19 6.657 -0.934 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.088 -2.323 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.271 -0.603 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.971 -2.605 4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.350 -2.604 2.924 1.00 0.00 H new ATOM 229 N LEU A 20 5.545 -1.352 1.706 1.00 0.00 N ATOM 230 CA LEU A 20 4.677 -0.773 0.687 1.00 0.00 C ATOM 231 C LEU A 20 3.356 -0.314 1.295 1.00 0.00 C ATOM 232 O LEU A 20 2.928 0.821 1.088 1.00 0.00 O ATOM 233 CB LEU A 20 4.414 -1.790 -0.425 1.00 0.00 C ATOM 234 CG LEU A 20 4.171 -1.212 -1.819 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.988 -0.256 -1.802 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.420 -0.509 -2.331 1.00 0.00 C ATOM 0 H LEU A 20 6.013 -2.213 1.421 1.00 0.00 H new ATOM 0 HA LEU A 20 5.183 0.095 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.265 -2.468 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.547 -2.388 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 20 3.938 -2.034 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.830 0.145 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.094 -0.789 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.191 0.562 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.228 -0.104 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.684 0.303 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.243 -1.222 -2.383 1.00 0.00 H new ATOM 248 N GLU A 21 2.715 -1.204 2.046 1.00 0.00 N ATOM 249 CA GLU A 21 1.442 -0.888 2.685 1.00 0.00 C ATOM 250 C GLU A 21 1.478 0.503 3.311 1.00 0.00 C ATOM 251 O GLU A 21 0.734 1.396 2.906 1.00 0.00 O ATOM 252 CB GLU A 21 1.110 -1.932 3.753 1.00 0.00 C ATOM 253 CG GLU A 21 0.488 -3.200 3.192 1.00 0.00 C ATOM 254 CD GLU A 21 0.373 -4.301 4.228 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.145 -4.027 5.331 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.800 -5.437 3.936 1.00 0.00 O ATOM 0 H GLU A 21 3.055 -2.148 2.227 1.00 0.00 H new ATOM 0 HA GLU A 21 0.666 -0.903 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.022 -2.192 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.426 -1.492 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.503 -2.971 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.089 -3.555 2.355 1.00 0.00 H new ATOM 263 N GLN A 22 2.348 0.677 4.301 1.00 0.00 N ATOM 264 CA GLN A 22 2.480 1.959 4.984 1.00 0.00 C ATOM 265 C GLN A 22 2.898 3.055 4.009 1.00 0.00 C ATOM 266 O GLN A 22 2.319 4.142 3.995 1.00 0.00 O ATOM 267 CB GLN A 22 3.499 1.853 6.119 1.00 0.00 C ATOM 268 CG GLN A 22 3.039 0.973 7.271 1.00 0.00 C ATOM 269 CD GLN A 22 1.983 1.641 8.129 1.00 0.00 C ATOM 270 OE1 GLN A 22 2.300 2.368 9.070 1.00 0.00 O ATOM 271 NE2 GLN A 22 0.718 1.397 7.807 1.00 0.00 N ATOM 0 H GLN A 22 2.971 -0.052 4.648 1.00 0.00 H new ATOM 0 HA GLN A 22 1.508 2.222 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.433 1.457 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.712 2.852 6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.642 0.039 6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.897 0.716 7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.501 0.788 7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.037 1.819 8.348 1.00 0.00 H new ATOM 280 N LEU A 23 3.907 2.763 3.196 1.00 0.00 N ATOM 281 CA LEU A 23 4.404 3.724 2.218 1.00 0.00 C ATOM 282 C LEU A 23 3.250 4.457 1.540 1.00 0.00 C ATOM 283 O LEU A 23 3.363 5.636 1.201 1.00 0.00 O ATOM 284 CB LEU A 23 5.260 3.015 1.166 1.00 0.00 C ATOM 285 CG LEU A 23 6.706 2.721 1.566 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.322 1.696 0.626 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.528 4.002 1.573 1.00 0.00 C ATOM 0 H LEU A 23 4.397 1.868 3.195 1.00 0.00 H new ATOM 0 HA LEU A 23 5.017 4.456 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.777 2.073 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.271 3.626 0.263 1.00 0.00 H new ATOM 0 HG LEU A 23 6.707 2.306 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.351 1.499 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.748 0.770 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.309 2.083 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.555 3.774 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.519 4.445 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.099 4.705 2.287 1.00 0.00 H new ATOM 299 N LEU A 24 2.140 3.753 1.348 1.00 0.00 N ATOM 300 CA LEU A 24 0.964 4.337 0.714 1.00 0.00 C ATOM 301 C LEU A 24 0.004 4.899 1.758 1.00 0.00 C ATOM 302 O LEU A 24 -0.535 5.994 1.594 1.00 0.00 O ATOM 303 CB LEU A 24 0.248 3.290 -0.142 1.00 0.00 C ATOM 304 CG LEU A 24 0.798 3.088 -1.554 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.302 1.774 -2.137 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.405 4.254 -2.451 1.00 0.00 C ATOM 0 H LEU A 24 2.030 2.777 1.622 1.00 0.00 H new ATOM 0 HA LEU A 24 1.296 5.155 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.286 2.335 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.803 3.570 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 24 1.886 3.049 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.704 1.647 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.633 0.948 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.787 1.783 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.805 4.094 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.682 4.324 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.810 5.180 -2.043 1.00 0.00 H new ATOM 318 N ASP A 25 -0.202 4.144 2.831 1.00 0.00 N ATOM 319 CA ASP A 25 -1.094 4.568 3.904 1.00 0.00 C ATOM 320 C ASP A 25 -0.367 5.483 4.886 1.00 0.00 C ATOM 321 O ASP A 25 0.449 5.027 5.686 1.00 0.00 O ATOM 322 CB ASP A 25 -1.654 3.351 4.641 1.00 0.00 C ATOM 323 CG ASP A 25 -2.727 3.725 5.645 1.00 0.00 C ATOM 324 OD1 ASP A 25 -2.430 4.517 6.563 1.00 0.00 O ATOM 325 OD2 ASP A 25 -3.864 3.226 5.512 1.00 0.00 O ATOM 0 H ASP A 25 0.236 3.235 2.981 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.919 5.125 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.067 2.650 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.843 2.836 5.156 1.00 0.00 H new ATOM 330 N GLY A 26 -0.668 6.776 4.817 1.00 0.00 N ATOM 331 CA GLY A 26 -0.034 7.734 5.703 1.00 0.00 C ATOM 332 C GLY A 26 -0.141 9.156 5.192 1.00 0.00 C ATOM 333 O GLY A 26 -0.192 9.403 3.987 1.00 0.00 O ATOM 0 H GLY A 26 -1.340 7.177 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.493 7.670 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.017 7.473 5.823 1.00 0.00 H new ATOM 337 N PRO A 27 -0.179 10.123 6.122 1.00 0.00 N ATOM 338 CA PRO A 27 -0.282 11.545 5.782 1.00 0.00 C ATOM 339 C PRO A 27 0.991 12.081 5.136 1.00 0.00 C ATOM 340 O PRO A 27 0.945 13.010 4.330 1.00 0.00 O ATOM 341 CB PRO A 27 -0.519 12.217 7.136 1.00 0.00 C ATOM 342 CG PRO A 27 0.079 11.284 8.132 1.00 0.00 C ATOM 343 CD PRO A 27 -0.123 9.901 7.576 1.00 0.00 C ATOM 0 HA PRO A 27 -1.070 11.734 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.046 13.198 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.582 12.367 7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.138 11.495 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.404 11.388 9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.695 9.234 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.042 9.448 7.949 1.00 0.00 H new ATOM 351 N GLU A 28 2.125 11.488 5.494 1.00 0.00 N ATOM 352 CA GLU A 28 3.411 11.908 4.949 1.00 0.00 C ATOM 353 C GLU A 28 3.602 11.372 3.533 1.00 0.00 C ATOM 354 O GLU A 28 4.170 12.046 2.674 1.00 0.00 O ATOM 355 CB GLU A 28 4.553 11.425 5.847 1.00 0.00 C ATOM 356 CG GLU A 28 5.780 12.320 5.803 1.00 0.00 C ATOM 357 CD GLU A 28 5.629 13.561 6.662 1.00 0.00 C ATOM 358 OE1 GLU A 28 4.935 14.503 6.226 1.00 0.00 O ATOM 359 OE2 GLU A 28 6.204 13.589 7.770 1.00 0.00 O ATOM 0 H GLU A 28 2.180 10.716 6.158 1.00 0.00 H new ATOM 0 HA GLU A 28 3.423 12.997 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.195 11.363 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.838 10.416 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.650 11.755 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.971 12.618 4.772 1.00 0.00 H new ATOM 366 N ALA A 29 3.124 10.155 3.298 1.00 0.00 N ATOM 367 CA ALA A 29 3.240 9.528 1.986 1.00 0.00 C ATOM 368 C ALA A 29 2.973 10.535 0.872 1.00 0.00 C ATOM 369 O ALA A 29 1.826 10.892 0.608 1.00 0.00 O ATOM 370 CB ALA A 29 2.283 8.351 1.877 1.00 0.00 C ATOM 0 H ALA A 29 2.653 9.583 3.999 1.00 0.00 H new ATOM 0 HA ALA A 29 4.261 9.163 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.380 7.893 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.522 7.615 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.260 8.700 2.015 1.00 0.00 H new ATOM 376 N GLN A 30 4.041 10.988 0.222 1.00 0.00 N ATOM 377 CA GLN A 30 3.920 11.954 -0.863 1.00 0.00 C ATOM 378 C GLN A 30 2.715 11.638 -1.742 1.00 0.00 C ATOM 379 O GLN A 30 2.073 12.539 -2.280 1.00 0.00 O ATOM 380 CB GLN A 30 5.195 11.965 -1.708 1.00 0.00 C ATOM 381 CG GLN A 30 5.549 10.606 -2.292 1.00 0.00 C ATOM 382 CD GLN A 30 7.039 10.436 -2.513 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.839 10.620 -1.595 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.420 10.083 -3.735 1.00 0.00 N ATOM 0 H GLN A 30 4.998 10.702 0.428 1.00 0.00 H new ATOM 0 HA GLN A 30 3.776 12.941 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.076 12.681 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.025 12.315 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.193 9.823 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.028 10.475 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.723 9.941 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.410 9.954 -3.943 1.00 0.00 H new ATOM 393 N GLY A 31 2.414 10.351 -1.885 1.00 0.00 N ATOM 394 CA GLY A 31 1.287 9.939 -2.700 1.00 0.00 C ATOM 395 C GLY A 31 0.188 9.288 -1.884 1.00 0.00 C ATOM 396 O GLY A 31 -0.074 9.690 -0.751 1.00 0.00 O ATOM 0 H GLY A 31 2.931 9.586 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.883 10.807 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.631 9.241 -3.463 1.00 0.00 H new ATOM 400 N SER A 32 -0.459 8.280 -2.462 1.00 0.00 N ATOM 401 CA SER A 32 -1.540 7.576 -1.783 1.00 0.00 C ATOM 402 C SER A 32 -1.970 6.346 -2.577 1.00 0.00 C ATOM 403 O SER A 32 -1.563 6.161 -3.724 1.00 0.00 O ATOM 404 CB SER A 32 -2.735 8.508 -1.578 1.00 0.00 C ATOM 405 OG SER A 32 -3.486 8.131 -0.437 1.00 0.00 O ATOM 0 H SER A 32 -0.253 7.933 -3.399 1.00 0.00 H new ATOM 0 HA SER A 32 -1.173 7.249 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.385 9.534 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.373 8.485 -2.461 1.00 0.00 H new ATOM 0 HG SER A 32 -4.243 8.743 -0.327 1.00 0.00 H new ATOM 411 N TRP A 33 -2.795 5.510 -1.958 1.00 0.00 N ATOM 412 CA TRP A 33 -3.282 4.297 -2.607 1.00 0.00 C ATOM 413 C TRP A 33 -4.597 4.558 -3.332 1.00 0.00 C ATOM 414 O TRP A 33 -4.762 4.180 -4.492 1.00 0.00 O ATOM 415 CB TRP A 33 -3.466 3.182 -1.576 1.00 0.00 C ATOM 416 CG TRP A 33 -4.509 3.492 -0.545 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.320 4.139 0.643 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.901 3.167 -0.610 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.511 4.236 1.320 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.497 3.647 0.573 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.704 2.518 -1.552 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.856 3.498 0.836 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.052 2.369 -1.290 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.618 2.858 -0.104 1.00 0.00 C ATOM 0 H TRP A 33 -3.141 5.649 -1.009 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.540 3.984 -3.342 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.738 2.261 -2.092 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.515 2.998 -1.076 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.373 4.519 0.998 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.641 4.675 2.231 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.278 2.139 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.293 3.874 1.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.681 1.867 -2.011 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.676 2.727 0.071 1.00 0.00 H new ATOM 435 N ALA A 34 -5.530 5.206 -2.643 1.00 0.00 N ATOM 436 CA ALA A 34 -6.830 5.519 -3.223 1.00 0.00 C ATOM 437 C ALA A 34 -6.706 5.827 -4.712 1.00 0.00 C ATOM 438 O ALA A 34 -7.470 5.310 -5.527 1.00 0.00 O ATOM 439 CB ALA A 34 -7.467 6.691 -2.491 1.00 0.00 C ATOM 0 H ALA A 34 -5.410 5.525 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.471 4.644 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.437 6.913 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.599 6.435 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.821 7.565 -2.573 1.00 0.00 H new ATOM 445 N GLU A 35 -5.741 6.672 -5.059 1.00 0.00 N ATOM 446 CA GLU A 35 -5.520 7.049 -6.450 1.00 0.00 C ATOM 447 C GLU A 35 -4.845 5.918 -7.220 1.00 0.00 C ATOM 448 O GLU A 35 -5.264 5.567 -8.324 1.00 0.00 O ATOM 449 CB GLU A 35 -4.664 8.315 -6.528 1.00 0.00 C ATOM 450 CG GLU A 35 -4.375 8.768 -7.950 1.00 0.00 C ATOM 451 CD GLU A 35 -5.563 9.455 -8.596 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.408 8.750 -9.185 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.647 10.698 -8.512 1.00 0.00 O ATOM 0 H GLU A 35 -5.100 7.108 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.491 7.246 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.171 9.120 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.720 8.137 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.525 9.450 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.088 7.905 -8.551 1.00 0.00 H new ATOM 460 N LEU A 36 -3.799 5.350 -6.630 1.00 0.00 N ATOM 461 CA LEU A 36 -3.065 4.258 -7.259 1.00 0.00 C ATOM 462 C LEU A 36 -4.022 3.212 -7.822 1.00 0.00 C ATOM 463 O LEU A 36 -3.908 2.811 -8.980 1.00 0.00 O ATOM 464 CB LEU A 36 -2.115 3.608 -6.251 1.00 0.00 C ATOM 465 CG LEU A 36 -1.615 2.208 -6.607 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.795 2.243 -7.888 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.796 1.627 -5.464 1.00 0.00 C ATOM 0 H LEU A 36 -3.440 5.628 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.483 4.671 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.250 4.260 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.620 3.557 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.480 1.566 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.448 1.237 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.412 2.616 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.064 2.901 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.449 0.630 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.062 2.270 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.414 1.564 -4.569 1.00 0.00 H new ATOM 479 N ALA A 37 -4.965 2.775 -6.994 1.00 0.00 N ATOM 480 CA ALA A 37 -5.944 1.778 -7.410 1.00 0.00 C ATOM 481 C ALA A 37 -6.631 2.192 -8.707 1.00 0.00 C ATOM 482 O ALA A 37 -6.681 1.421 -9.666 1.00 0.00 O ATOM 483 CB ALA A 37 -6.975 1.560 -6.312 1.00 0.00 C ATOM 0 H ALA A 37 -5.072 3.095 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.417 0.841 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.700 0.813 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.476 1.212 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.489 2.498 -6.104 1.00 0.00 H new ATOM 489 N GLU A 38 -7.159 3.411 -8.730 1.00 0.00 N ATOM 490 CA GLU A 38 -7.843 3.925 -9.910 1.00 0.00 C ATOM 491 C GLU A 38 -6.992 3.729 -11.162 1.00 0.00 C ATOM 492 O GLU A 38 -7.477 3.248 -12.186 1.00 0.00 O ATOM 493 CB GLU A 38 -8.172 5.409 -9.731 1.00 0.00 C ATOM 494 CG GLU A 38 -9.073 5.693 -8.541 1.00 0.00 C ATOM 495 CD GLU A 38 -9.868 6.974 -8.704 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.482 7.160 -9.775 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.875 7.791 -7.759 1.00 0.00 O ATOM 0 H GLU A 38 -7.126 4.061 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.771 3.366 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.243 5.967 -9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.653 5.778 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.760 4.858 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.466 5.759 -7.638 1.00 0.00 H new ATOM 504 N ARG A 39 -5.721 4.106 -11.070 1.00 0.00 N ATOM 505 CA ARG A 39 -4.802 3.973 -12.195 1.00 0.00 C ATOM 506 C ARG A 39 -4.761 2.533 -12.696 1.00 0.00 C ATOM 507 O ARG A 39 -4.753 2.284 -13.903 1.00 0.00 O ATOM 508 CB ARG A 39 -3.398 4.424 -11.789 1.00 0.00 C ATOM 509 CG ARG A 39 -3.312 5.898 -11.427 1.00 0.00 C ATOM 510 CD ARG A 39 -1.896 6.428 -11.585 1.00 0.00 C ATOM 511 NE ARG A 39 -1.877 7.860 -11.875 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.352 8.389 -12.996 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.881 7.609 -13.929 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.300 9.701 -13.187 1.00 0.00 N ATOM 0 H ARG A 39 -5.304 4.506 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.161 4.610 -13.003 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.067 3.830 -10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.709 4.219 -12.608 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.989 6.470 -12.062 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.643 6.041 -10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.333 6.235 -10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.394 5.889 -12.389 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.477 8.488 -11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.924 6.600 -13.786 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.245 8.018 -14.789 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.895 10.305 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.665 10.106 -14.049 1.00 0.00 H new ATOM 528 N LEU A 40 -4.734 1.588 -11.763 1.00 0.00 N ATOM 529 CA LEU A 40 -4.692 0.171 -12.110 1.00 0.00 C ATOM 530 C LEU A 40 -6.015 -0.278 -12.722 1.00 0.00 C ATOM 531 O LEU A 40 -6.038 -1.063 -13.669 1.00 0.00 O ATOM 532 CB LEU A 40 -4.379 -0.669 -10.871 1.00 0.00 C ATOM 533 CG LEU A 40 -3.107 -0.294 -10.110 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.163 -0.821 -8.684 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.878 -0.828 -10.830 1.00 0.00 C ATOM 0 H LEU A 40 -4.740 1.777 -10.761 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.903 0.026 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.223 -0.597 -10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.303 -1.713 -11.174 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.037 0.793 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.249 -0.545 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.022 -0.390 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.258 -1.907 -8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.982 -0.552 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.941 -1.914 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.829 -0.402 -11.832 1.00 0.00 H new ATOM 547 N GLY A 41 -7.117 0.227 -12.174 1.00 0.00 N ATOM 548 CA GLY A 41 -8.429 -0.133 -12.680 1.00 0.00 C ATOM 549 C GLY A 41 -9.400 -0.487 -11.572 1.00 0.00 C ATOM 550 O GLY A 41 -10.595 -0.663 -11.816 1.00 0.00 O ATOM 0 H GLY A 41 -7.124 0.879 -11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.832 0.697 -13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.333 -0.980 -13.359 1.00 0.00 H new ATOM 554 N LEU A 42 -8.889 -0.595 -10.351 1.00 0.00 N ATOM 555 CA LEU A 42 -9.720 -0.932 -9.200 1.00 0.00 C ATOM 556 C LEU A 42 -10.244 0.327 -8.519 1.00 0.00 C ATOM 557 O LEU A 42 -10.069 0.512 -7.314 1.00 0.00 O ATOM 558 CB LEU A 42 -8.923 -1.773 -8.201 1.00 0.00 C ATOM 559 CG LEU A 42 -7.978 -2.814 -8.802 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.827 -3.102 -7.851 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.734 -4.093 -9.131 1.00 0.00 C ATOM 0 H LEU A 42 -7.903 -0.454 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.573 -1.511 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.338 -1.099 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.627 -2.286 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.565 -2.411 -9.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.165 -3.845 -8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.270 -2.184 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.220 -3.484 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.046 -4.823 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.175 -4.499 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.523 -3.874 -9.850 1.00 0.00 H new ATOM 573 N ARG A 43 -10.890 1.189 -9.297 1.00 0.00 N ATOM 574 CA ARG A 43 -11.442 2.431 -8.768 1.00 0.00 C ATOM 575 C ARG A 43 -12.711 2.163 -7.964 1.00 0.00 C ATOM 576 O ARG A 43 -13.032 2.898 -7.030 1.00 0.00 O ATOM 577 CB ARG A 43 -11.743 3.406 -9.907 1.00 0.00 C ATOM 578 CG ARG A 43 -12.794 2.898 -10.882 1.00 0.00 C ATOM 579 CD ARG A 43 -13.120 3.939 -11.942 1.00 0.00 C ATOM 580 NE ARG A 43 -13.908 3.378 -13.035 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.291 4.075 -14.099 1.00 0.00 C ATOM 582 NH1 ARG A 43 -13.959 5.354 -14.211 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.008 3.494 -15.053 1.00 0.00 N ATOM 0 H ARG A 43 -11.044 1.051 -10.296 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.700 2.876 -8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.079 4.353 -9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.822 3.610 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.436 1.987 -11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.701 2.636 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.669 4.762 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.194 4.355 -12.339 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.180 2.396 -12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.409 5.804 -13.480 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.254 5.888 -15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.266 2.511 -14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.301 4.031 -15.869 1.00 0.00 H new ATOM 597 N SER A 44 -13.428 1.107 -8.334 1.00 0.00 N ATOM 598 CA SER A 44 -14.664 0.745 -7.650 1.00 0.00 C ATOM 599 C SER A 44 -14.369 0.115 -6.292 1.00 0.00 C ATOM 600 O SER A 44 -15.060 0.382 -5.308 1.00 0.00 O ATOM 601 CB SER A 44 -15.481 -0.223 -8.508 1.00 0.00 C ATOM 602 OG SER A 44 -16.160 0.463 -9.545 1.00 0.00 O ATOM 0 H SER A 44 -13.174 0.487 -9.103 1.00 0.00 H new ATOM 0 HA SER A 44 -15.242 1.655 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.822 -0.978 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.202 -0.748 -7.882 1.00 0.00 H new ATOM 0 HG SER A 44 -16.673 -0.178 -10.080 1.00 0.00 H new ATOM 608 N LEU A 45 -13.339 -0.722 -6.247 1.00 0.00 N ATOM 609 CA LEU A 45 -12.951 -1.392 -5.010 1.00 0.00 C ATOM 610 C LEU A 45 -12.449 -0.385 -3.981 1.00 0.00 C ATOM 611 O LEU A 45 -12.466 -0.649 -2.778 1.00 0.00 O ATOM 612 CB LEU A 45 -11.868 -2.435 -5.290 1.00 0.00 C ATOM 613 CG LEU A 45 -12.251 -3.557 -6.257 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.070 -4.487 -6.490 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.446 -4.334 -5.725 1.00 0.00 C ATOM 0 H LEU A 45 -12.757 -0.953 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.831 -1.891 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.992 -1.922 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.571 -2.885 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.529 -3.109 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.361 -5.279 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.240 -3.922 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.761 -4.928 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.705 -5.128 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -13.195 -4.770 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.296 -3.661 -5.610 1.00 0.00 H new ATOM 627 N VAL A 46 -12.003 0.772 -4.460 1.00 0.00 N ATOM 628 CA VAL A 46 -11.500 1.821 -3.582 1.00 0.00 C ATOM 629 C VAL A 46 -12.331 1.917 -2.307 1.00 0.00 C ATOM 630 O VAL A 46 -11.860 1.582 -1.220 1.00 0.00 O ATOM 631 CB VAL A 46 -11.499 3.191 -4.285 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.065 4.286 -3.323 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.599 3.160 -5.511 1.00 0.00 C ATOM 0 H VAL A 46 -11.980 1.006 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.475 1.553 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.515 3.411 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.071 5.246 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.754 4.323 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.059 4.075 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.610 4.136 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.580 2.917 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.960 2.405 -6.209 1.00 0.00 H new ATOM 643 N ASP A 47 -13.570 2.375 -2.449 1.00 0.00 N ATOM 644 CA ASP A 47 -14.468 2.513 -1.309 1.00 0.00 C ATOM 645 C ASP A 47 -14.523 1.221 -0.499 1.00 0.00 C ATOM 646 O ASP A 47 -14.278 1.221 0.708 1.00 0.00 O ATOM 647 CB ASP A 47 -15.872 2.892 -1.782 1.00 0.00 C ATOM 648 CG ASP A 47 -16.186 2.346 -3.161 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.732 2.950 -4.155 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.885 1.315 -3.246 1.00 0.00 O ATOM 0 H ASP A 47 -13.975 2.657 -3.342 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.082 3.306 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.606 2.515 -1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.967 3.978 -1.794 1.00 0.00 H new ATOM 655 N THR A 48 -14.846 0.121 -1.172 1.00 0.00 N ATOM 656 CA THR A 48 -14.935 -1.177 -0.515 1.00 0.00 C ATOM 657 C THR A 48 -13.779 -1.382 0.457 1.00 0.00 C ATOM 658 O THR A 48 -13.981 -1.803 1.597 1.00 0.00 O ATOM 659 CB THR A 48 -14.938 -2.327 -1.541 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.827 -2.018 -2.620 1.00 0.00 O ATOM 661 CG2 THR A 48 -15.360 -3.634 -0.888 1.00 0.00 C ATOM 0 H THR A 48 -15.050 0.103 -2.171 1.00 0.00 H new ATOM 0 HA THR A 48 -15.876 -1.188 0.036 1.00 0.00 H new ATOM 0 HB THR A 48 -13.925 -2.443 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.822 -2.753 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.355 -4.431 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.664 -3.881 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.364 -3.528 -0.477 1.00 0.00 H new ATOM 669 N TYR A 49 -12.568 -1.082 0.001 1.00 0.00 N ATOM 670 CA TYR A 49 -11.379 -1.236 0.830 1.00 0.00 C ATOM 671 C TYR A 49 -11.383 -0.232 1.979 1.00 0.00 C ATOM 672 O TYR A 49 -11.282 -0.608 3.147 1.00 0.00 O ATOM 673 CB TYR A 49 -10.116 -1.056 -0.014 1.00 0.00 C ATOM 674 CG TYR A 49 -9.925 -2.135 -1.055 1.00 0.00 C ATOM 675 CD1 TYR A 49 -10.148 -3.472 -0.747 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.520 -1.819 -2.346 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.974 -4.462 -1.695 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.345 -2.803 -3.300 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.573 -4.122 -2.970 1.00 0.00 C ATOM 680 OH TYR A 49 -9.398 -5.105 -3.918 1.00 0.00 O ATOM 0 H TYR A 49 -12.384 -0.731 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.387 -2.242 1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.156 -0.087 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.248 -1.041 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.463 -3.742 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.339 -0.787 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.151 -5.496 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.031 -2.540 -4.299 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.727 -4.814 -4.571 1.00 0.00 H new ATOM 690 N ARG A 50 -11.503 1.047 1.638 1.00 0.00 N ATOM 691 CA ARG A 50 -11.520 2.106 2.640 1.00 0.00 C ATOM 692 C ARG A 50 -12.287 1.666 3.884 1.00 0.00 C ATOM 693 O ARG A 50 -11.869 1.936 5.009 1.00 0.00 O ATOM 694 CB ARG A 50 -12.151 3.374 2.061 1.00 0.00 C ATOM 695 CG ARG A 50 -12.366 4.472 3.091 1.00 0.00 C ATOM 696 CD ARG A 50 -12.970 5.717 2.460 1.00 0.00 C ATOM 697 NE ARG A 50 -11.945 6.641 1.983 1.00 0.00 N ATOM 698 CZ ARG A 50 -12.211 7.853 1.510 1.00 0.00 C ATOM 699 NH1 ARG A 50 -13.463 8.285 1.451 1.00 0.00 N ATOM 700 NH2 ARG A 50 -11.223 8.636 1.094 1.00 0.00 N ATOM 0 H ARG A 50 -11.590 1.375 0.676 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.490 2.318 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.513 3.755 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.109 3.119 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.023 4.108 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.415 4.725 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.612 5.427 1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.603 6.223 3.190 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.971 6.339 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.225 7.686 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.665 9.216 1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.259 8.307 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.428 9.567 0.731 1.00 0.00 H new ATOM 714 N GLN A 51 -13.410 0.988 3.671 1.00 0.00 N ATOM 715 CA GLN A 51 -14.236 0.512 4.774 1.00 0.00 C ATOM 716 C GLN A 51 -13.385 -0.193 5.826 1.00 0.00 C ATOM 717 O GLN A 51 -13.528 0.054 7.024 1.00 0.00 O ATOM 718 CB GLN A 51 -15.318 -0.437 4.257 1.00 0.00 C ATOM 719 CG GLN A 51 -16.591 -0.418 5.087 1.00 0.00 C ATOM 720 CD GLN A 51 -17.066 0.989 5.395 1.00 0.00 C ATOM 721 OE1 GLN A 51 -16.944 1.464 6.525 1.00 0.00 O ATOM 722 NE2 GLN A 51 -17.610 1.664 4.390 1.00 0.00 N ATOM 0 H GLN A 51 -13.769 0.756 2.745 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.712 1.376 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.561 -0.172 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.921 -1.452 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -17.376 -0.954 4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.419 -0.952 6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.691 1.231 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.947 2.615 4.538 1.00 0.00 H new ATOM 731 N THR A 52 -12.498 -1.072 5.370 1.00 0.00 N ATOM 732 CA THR A 52 -11.625 -1.814 6.271 1.00 0.00 C ATOM 733 C THR A 52 -10.730 -0.872 7.069 1.00 0.00 C ATOM 734 O THR A 52 -10.750 0.342 6.865 1.00 0.00 O ATOM 735 CB THR A 52 -10.742 -2.814 5.501 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.933 -2.118 4.545 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.595 -3.853 4.790 1.00 0.00 C ATOM 0 H THR A 52 -12.365 -1.287 4.382 1.00 0.00 H new ATOM 0 HA THR A 52 -12.271 -2.364 6.956 1.00 0.00 H new ATOM 0 HB THR A 52 -10.099 -3.324 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.497 -1.801 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.949 -4.548 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.188 -4.400 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.260 -3.356 4.084 1.00 0.00 H new ATOM 745 N THR A 53 -9.943 -1.439 7.978 1.00 0.00 N ATOM 746 CA THR A 53 -9.041 -0.650 8.807 1.00 0.00 C ATOM 747 C THR A 53 -7.725 -0.381 8.085 1.00 0.00 C ATOM 748 O THR A 53 -7.182 0.721 8.155 1.00 0.00 O ATOM 749 CB THR A 53 -8.744 -1.355 10.143 1.00 0.00 C ATOM 750 OG1 THR A 53 -8.300 -2.695 9.903 1.00 0.00 O ATOM 751 CG2 THR A 53 -9.980 -1.377 11.030 1.00 0.00 C ATOM 0 H THR A 53 -9.912 -2.442 8.159 1.00 0.00 H new ATOM 0 HA THR A 53 -9.543 0.296 9.008 1.00 0.00 H new ATOM 0 HB THR A 53 -7.958 -0.799 10.654 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.112 -3.135 10.758 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.746 -1.880 11.968 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.298 -0.355 11.236 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.783 -1.912 10.522 1.00 0.00 H new ATOM 759 N SER A 54 -7.219 -1.394 7.389 1.00 0.00 N ATOM 760 CA SER A 54 -5.965 -1.267 6.656 1.00 0.00 C ATOM 761 C SER A 54 -6.115 -1.784 5.229 1.00 0.00 C ATOM 762 O SER A 54 -5.732 -2.908 4.904 1.00 0.00 O ATOM 763 CB SER A 54 -4.851 -2.033 7.373 1.00 0.00 C ATOM 764 OG SER A 54 -3.713 -2.175 6.541 1.00 0.00 O ATOM 0 H SER A 54 -7.658 -2.312 7.317 1.00 0.00 H new ATOM 0 HA SER A 54 -5.702 -0.210 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.574 -1.507 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.214 -3.017 7.669 1.00 0.00 H new ATOM 0 HG SER A 54 -3.606 -1.369 5.993 1.00 0.00 H new ATOM 770 N PRO A 55 -6.687 -0.944 4.353 1.00 0.00 N ATOM 771 CA PRO A 55 -6.902 -1.292 2.946 1.00 0.00 C ATOM 772 C PRO A 55 -5.595 -1.374 2.163 1.00 0.00 C ATOM 773 O PRO A 55 -5.588 -1.733 0.986 1.00 0.00 O ATOM 774 CB PRO A 55 -7.766 -0.142 2.423 1.00 0.00 C ATOM 775 CG PRO A 55 -7.451 1.006 3.318 1.00 0.00 C ATOM 776 CD PRO A 55 -7.168 0.412 4.670 1.00 0.00 C ATOM 0 HA PRO A 55 -7.363 -2.274 2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.530 0.090 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.826 -0.394 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.590 1.564 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.287 1.704 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.418 0.988 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.062 0.386 5.293 1.00 0.00 H new ATOM 784 N SER A 56 -4.492 -1.039 2.825 1.00 0.00 N ATOM 785 CA SER A 56 -3.180 -1.072 2.190 1.00 0.00 C ATOM 786 C SER A 56 -2.781 -2.503 1.841 1.00 0.00 C ATOM 787 O SER A 56 -2.454 -2.806 0.694 1.00 0.00 O ATOM 788 CB SER A 56 -2.129 -0.448 3.110 1.00 0.00 C ATOM 789 OG SER A 56 -2.103 -1.097 4.369 1.00 0.00 O ATOM 0 H SER A 56 -4.481 -0.742 3.801 1.00 0.00 H new ATOM 0 HA SER A 56 -3.235 -0.493 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.147 -0.515 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.345 0.611 3.248 1.00 0.00 H new ATOM 0 HG SER A 56 -1.542 -0.586 4.989 1.00 0.00 H new ATOM 795 N GLY A 57 -2.811 -3.380 2.840 1.00 0.00 N ATOM 796 CA GLY A 57 -2.451 -4.768 2.620 1.00 0.00 C ATOM 797 C GLY A 57 -3.431 -5.484 1.712 1.00 0.00 C ATOM 798 O GLY A 57 -3.032 -6.285 0.866 1.00 0.00 O ATOM 0 H GLY A 57 -3.078 -3.153 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.454 -4.817 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.405 -5.285 3.579 1.00 0.00 H new ATOM 802 N SER A 58 -4.717 -5.198 1.889 1.00 0.00 N ATOM 803 CA SER A 58 -5.757 -5.826 1.082 1.00 0.00 C ATOM 804 C SER A 58 -5.695 -5.335 -0.361 1.00 0.00 C ATOM 805 O SER A 58 -5.823 -6.119 -1.302 1.00 0.00 O ATOM 806 CB SER A 58 -7.137 -5.533 1.674 1.00 0.00 C ATOM 807 OG SER A 58 -7.199 -5.916 3.037 1.00 0.00 O ATOM 0 H SER A 58 -5.064 -4.536 2.583 1.00 0.00 H new ATOM 0 HA SER A 58 -5.588 -6.903 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.358 -4.470 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.900 -6.067 1.108 1.00 0.00 H new ATOM 0 HG SER A 58 -8.090 -5.717 3.393 1.00 0.00 H new ATOM 813 N LEU A 59 -5.499 -4.032 -0.528 1.00 0.00 N ATOM 814 CA LEU A 59 -5.421 -3.434 -1.856 1.00 0.00 C ATOM 815 C LEU A 59 -4.526 -4.261 -2.774 1.00 0.00 C ATOM 816 O LEU A 59 -4.934 -4.654 -3.868 1.00 0.00 O ATOM 817 CB LEU A 59 -4.889 -2.002 -1.762 1.00 0.00 C ATOM 818 CG LEU A 59 -4.522 -1.334 -3.088 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.776 -0.991 -3.877 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.686 -0.087 -2.843 1.00 0.00 C ATOM 0 H LEU A 59 -5.391 -3.369 0.240 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.426 -3.415 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.640 -1.388 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.006 -2.005 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.929 -2.035 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.496 -0.516 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.337 -1.903 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.396 -0.308 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.434 0.375 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.254 0.619 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.770 -0.360 -2.319 1.00 0.00 H new ATOM 832 N LEU A 60 -3.306 -4.525 -2.321 1.00 0.00 N ATOM 833 CA LEU A 60 -2.353 -5.309 -3.100 1.00 0.00 C ATOM 834 C LEU A 60 -2.816 -6.757 -3.229 1.00 0.00 C ATOM 835 O LEU A 60 -2.975 -7.271 -4.336 1.00 0.00 O ATOM 836 CB LEU A 60 -0.970 -5.260 -2.450 1.00 0.00 C ATOM 837 CG LEU A 60 -0.264 -3.903 -2.475 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.849 -3.861 -1.439 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.287 -3.614 -3.864 1.00 0.00 C ATOM 0 H LEU A 60 -2.953 -4.208 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.294 -4.875 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.067 -5.577 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.331 -5.989 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.993 -3.131 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.340 -2.888 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.428 -4.022 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.577 -4.642 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.786 -2.645 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.001 -4.389 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.531 -3.600 -4.584 1.00 0.00 H new ATOM 851 N ARG A 61 -3.032 -7.407 -2.090 1.00 0.00 N ATOM 852 CA ARG A 61 -3.478 -8.795 -2.076 1.00 0.00 C ATOM 853 C ARG A 61 -4.591 -9.019 -3.095 1.00 0.00 C ATOM 854 O ARG A 61 -4.798 -10.137 -3.568 1.00 0.00 O ATOM 855 CB ARG A 61 -3.966 -9.182 -0.679 1.00 0.00 C ATOM 856 CG ARG A 61 -2.859 -9.680 0.236 1.00 0.00 C ATOM 857 CD ARG A 61 -3.409 -10.563 1.346 1.00 0.00 C ATOM 858 NE ARG A 61 -2.531 -10.587 2.512 1.00 0.00 N ATOM 859 CZ ARG A 61 -2.560 -11.543 3.434 1.00 0.00 C ATOM 860 NH1 ARG A 61 -3.418 -12.548 3.326 1.00 0.00 N ATOM 861 NH2 ARG A 61 -1.729 -11.495 4.468 1.00 0.00 N ATOM 0 H ARG A 61 -2.905 -6.995 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.630 -9.425 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.445 -8.318 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.726 -9.957 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.128 -10.240 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.335 -8.829 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.394 -10.202 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.541 -11.578 0.970 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.859 -9.828 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.058 -12.589 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.438 -13.280 4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.067 -10.724 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.752 -12.230 5.175 1.00 0.00 H new ATOM 875 N SER A 62 -5.305 -7.949 -3.429 1.00 0.00 N ATOM 876 CA SER A 62 -6.400 -8.029 -4.389 1.00 0.00 C ATOM 877 C SER A 62 -5.923 -7.657 -5.789 1.00 0.00 C ATOM 878 O SER A 62 -6.341 -8.258 -6.780 1.00 0.00 O ATOM 879 CB SER A 62 -7.545 -7.107 -3.966 1.00 0.00 C ATOM 880 OG SER A 62 -8.210 -7.612 -2.821 1.00 0.00 O ATOM 0 H SER A 62 -5.145 -7.016 -3.049 1.00 0.00 H new ATOM 0 HA SER A 62 -6.760 -9.058 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.155 -6.111 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.255 -7.004 -4.787 1.00 0.00 H new ATOM 0 HG SER A 62 -7.743 -7.312 -2.013 1.00 0.00 H new ATOM 886 N TYR A 63 -5.046 -6.662 -5.864 1.00 0.00 N ATOM 887 CA TYR A 63 -4.513 -6.207 -7.142 1.00 0.00 C ATOM 888 C TYR A 63 -3.967 -7.378 -7.953 1.00 0.00 C ATOM 889 O TYR A 63 -3.994 -7.362 -9.183 1.00 0.00 O ATOM 890 CB TYR A 63 -3.412 -5.169 -6.920 1.00 0.00 C ATOM 891 CG TYR A 63 -2.568 -4.909 -8.146 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.125 -4.356 -9.293 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.213 -5.216 -8.160 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.358 -4.117 -10.417 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.438 -4.979 -9.278 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.015 -4.430 -10.404 1.00 0.00 C ATOM 897 OH TYR A 63 -0.246 -4.194 -11.521 1.00 0.00 O ATOM 0 H TYR A 63 -4.689 -6.155 -5.054 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.327 -5.748 -7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.867 -4.233 -6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.766 -5.505 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.176 -4.109 -9.306 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.758 -5.648 -7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.807 -3.688 -11.300 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.614 -5.222 -9.271 1.00 0.00 H new ATOM 0 HH TYR A 63 0.453 -4.878 -11.588 1.00 0.00 H new ATOM 907 N GLU A 64 -3.471 -8.394 -7.253 1.00 0.00 N ATOM 908 CA GLU A 64 -2.918 -9.574 -7.907 1.00 0.00 C ATOM 909 C GLU A 64 -4.028 -10.528 -8.337 1.00 0.00 C ATOM 910 O GLU A 64 -3.984 -11.100 -9.427 1.00 0.00 O ATOM 911 CB GLU A 64 -1.945 -10.294 -6.971 1.00 0.00 C ATOM 912 CG GLU A 64 -2.628 -11.226 -5.984 1.00 0.00 C ATOM 913 CD GLU A 64 -1.661 -11.817 -4.976 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.868 -11.048 -4.393 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.699 -13.048 -4.769 1.00 0.00 O ATOM 0 H GLU A 64 -3.441 -8.423 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.380 -9.246 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.236 -10.867 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.369 -9.552 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.410 -10.680 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.116 -12.033 -6.530 1.00 0.00 H new ATOM 922 N LEU A 65 -5.023 -10.696 -7.473 1.00 0.00 N ATOM 923 CA LEU A 65 -6.146 -11.582 -7.762 1.00 0.00 C ATOM 924 C LEU A 65 -6.827 -11.190 -9.069 1.00 0.00 C ATOM 925 O LEU A 65 -7.201 -12.048 -9.867 1.00 0.00 O ATOM 926 CB LEU A 65 -7.158 -11.545 -6.615 1.00 0.00 C ATOM 927 CG LEU A 65 -6.638 -11.987 -5.247 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.612 -11.585 -4.150 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.401 -13.490 -5.226 1.00 0.00 C ATOM 0 H LEU A 65 -5.075 -10.231 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.760 -12.596 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.538 -10.527 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.003 -12.179 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.687 -11.486 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.225 -11.908 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.732 -10.502 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.578 -12.057 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.031 -13.786 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.337 -14.009 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.665 -13.753 -5.986 1.00 0.00 H new ATOM 941 N ALA A 66 -6.982 -9.887 -9.281 1.00 0.00 N ATOM 942 CA ALA A 66 -7.614 -9.380 -10.493 1.00 0.00 C ATOM 943 C ALA A 66 -6.837 -9.803 -11.735 1.00 0.00 C ATOM 944 O ALA A 66 -7.416 -10.016 -12.799 1.00 0.00 O ATOM 945 CB ALA A 66 -7.733 -7.865 -10.433 1.00 0.00 C ATOM 0 H ALA A 66 -6.679 -9.163 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.614 -9.809 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.207 -7.501 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.338 -7.581 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.740 -7.425 -10.340 1.00 0.00 H new ATOM 951 N GLY A 67 -5.520 -9.922 -11.592 1.00 0.00 N ATOM 952 CA GLY A 67 -4.685 -10.317 -12.711 1.00 0.00 C ATOM 953 C GLY A 67 -3.623 -9.285 -13.035 1.00 0.00 C ATOM 954 O GLY A 67 -3.308 -9.054 -14.202 1.00 0.00 O ATOM 0 H GLY A 67 -5.017 -9.752 -10.721 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.205 -11.269 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.311 -10.477 -13.589 1.00 0.00 H new ATOM 958 N GLY A 68 -3.070 -8.661 -11.999 1.00 0.00 N ATOM 959 CA GLY A 68 -2.045 -7.654 -12.201 1.00 0.00 C ATOM 960 C GLY A 68 -0.672 -8.131 -11.770 1.00 0.00 C ATOM 961 O GLY A 68 -0.552 -9.032 -10.941 1.00 0.00 O ATOM 0 H GLY A 68 -3.314 -8.835 -11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.016 -7.376 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.307 -6.756 -11.641 1.00 0.00 H new ATOM 965 N ASP A 69 0.367 -7.525 -12.336 1.00 0.00 N ATOM 966 CA ASP A 69 1.739 -7.893 -12.006 1.00 0.00 C ATOM 967 C ASP A 69 2.537 -6.671 -11.562 1.00 0.00 C ATOM 968 O ASP A 69 2.103 -5.533 -11.742 1.00 0.00 O ATOM 969 CB ASP A 69 2.416 -8.550 -13.210 1.00 0.00 C ATOM 970 CG ASP A 69 1.520 -9.561 -13.898 1.00 0.00 C ATOM 971 OD1 ASP A 69 1.256 -10.624 -13.299 1.00 0.00 O ATOM 972 OD2 ASP A 69 1.084 -9.289 -15.036 1.00 0.00 O ATOM 0 H ASP A 69 0.285 -6.777 -13.025 1.00 0.00 H new ATOM 0 HA ASP A 69 1.711 -8.605 -11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.706 -7.780 -13.925 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.332 -9.043 -12.884 1.00 0.00 H new ATOM 977 N LEU A 70 3.706 -6.915 -10.979 1.00 0.00 N ATOM 978 CA LEU A 70 4.566 -5.835 -10.508 1.00 0.00 C ATOM 979 C LEU A 70 4.631 -4.704 -11.530 1.00 0.00 C ATOM 980 O LEU A 70 4.404 -3.541 -11.199 1.00 0.00 O ATOM 981 CB LEU A 70 5.973 -6.363 -10.224 1.00 0.00 C ATOM 982 CG LEU A 70 6.859 -5.477 -9.348 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.401 -5.533 -7.898 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.316 -5.897 -9.465 1.00 0.00 C ATOM 0 H LEU A 70 4.080 -7.851 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 70 4.140 -5.441 -9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.884 -7.338 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.479 -6.520 -11.176 1.00 0.00 H new ATOM 0 HG LEU A 70 6.770 -4.448 -9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.043 -4.897 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.371 -5.183 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.460 -6.560 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.931 -5.255 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.423 -6.933 -9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.639 -5.805 -10.502 1.00 0.00 H new ATOM 996 N ALA A 71 4.939 -5.056 -12.774 1.00 0.00 N ATOM 997 CA ALA A 71 5.029 -4.072 -13.846 1.00 0.00 C ATOM 998 C ALA A 71 3.881 -3.072 -13.771 1.00 0.00 C ATOM 999 O ALA A 71 4.094 -1.861 -13.821 1.00 0.00 O ATOM 1000 CB ALA A 71 5.041 -4.766 -15.200 1.00 0.00 C ATOM 0 H ALA A 71 5.130 -6.015 -13.064 1.00 0.00 H new ATOM 0 HA ALA A 71 5.962 -3.523 -13.724 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.108 -4.019 -15.991 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.900 -5.435 -15.258 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.124 -5.342 -15.322 1.00 0.00 H new ATOM 1006 N GLY A 72 2.660 -3.587 -13.652 1.00 0.00 N ATOM 1007 CA GLY A 72 1.496 -2.725 -13.573 1.00 0.00 C ATOM 1008 C GLY A 72 1.598 -1.714 -12.448 1.00 0.00 C ATOM 1009 O GLY A 72 1.266 -0.541 -12.626 1.00 0.00 O ATOM 0 H GLY A 72 2.457 -4.586 -13.609 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.372 -2.199 -14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.605 -3.336 -13.429 1.00 0.00 H new ATOM 1013 N LEU A 73 2.056 -2.167 -11.287 1.00 0.00 N ATOM 1014 CA LEU A 73 2.199 -1.294 -10.127 1.00 0.00 C ATOM 1015 C LEU A 73 3.332 -0.294 -10.335 1.00 0.00 C ATOM 1016 O LEU A 73 3.216 0.877 -9.970 1.00 0.00 O ATOM 1017 CB LEU A 73 2.460 -2.123 -8.869 1.00 0.00 C ATOM 1018 CG LEU A 73 2.013 -1.497 -7.547 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.497 -1.400 -7.489 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.544 -2.301 -6.370 1.00 0.00 C ATOM 0 H LEU A 73 2.335 -3.134 -11.123 1.00 0.00 H new ATOM 0 HA LEU A 73 1.268 -0.740 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.958 -3.084 -8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.529 -2.327 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 73 2.423 -0.489 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.197 -0.952 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.140 -0.781 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.065 -2.397 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.216 -1.841 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.164 -3.321 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.633 -2.318 -6.403 1.00 0.00 H new ATOM 1032 N LEU A 74 4.426 -0.762 -10.926 1.00 0.00 N ATOM 1033 CA LEU A 74 5.580 0.092 -11.186 1.00 0.00 C ATOM 1034 C LEU A 74 5.237 1.177 -12.202 1.00 0.00 C ATOM 1035 O LEU A 74 5.857 2.239 -12.222 1.00 0.00 O ATOM 1036 CB LEU A 74 6.755 -0.746 -11.693 1.00 0.00 C ATOM 1037 CG LEU A 74 7.462 -1.611 -10.650 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.342 -2.651 -11.326 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.285 -0.745 -9.708 1.00 0.00 C ATOM 0 H LEU A 74 4.538 -1.728 -11.234 1.00 0.00 H new ATOM 0 HA LEU A 74 5.863 0.574 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.394 -1.396 -12.490 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.490 -0.074 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 74 6.704 -2.132 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.837 -3.257 -10.567 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.728 -3.292 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.093 -2.150 -11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.781 -1.378 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.034 -0.197 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.630 -0.039 -9.197 1.00 0.00 H new ATOM 1051 N GLU A 75 4.245 0.901 -13.043 1.00 0.00 N ATOM 1052 CA GLU A 75 3.820 1.854 -14.061 1.00 0.00 C ATOM 1053 C GLU A 75 2.841 2.871 -13.479 1.00 0.00 C ATOM 1054 O GLU A 75 2.892 4.055 -13.808 1.00 0.00 O ATOM 1055 CB GLU A 75 3.172 1.122 -15.238 1.00 0.00 C ATOM 1056 CG GLU A 75 2.226 1.991 -16.049 1.00 0.00 C ATOM 1057 CD GLU A 75 2.158 1.577 -17.506 1.00 0.00 C ATOM 1058 OE1 GLU A 75 1.511 0.552 -17.803 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.752 2.280 -18.350 1.00 0.00 O ATOM 0 H GLU A 75 3.721 0.026 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 75 4.703 2.386 -14.415 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.955 0.742 -15.894 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.625 0.258 -14.861 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.228 1.940 -15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.548 3.030 -15.985 1.00 0.00 H new ATOM 1066 N ALA A 76 1.951 2.398 -12.613 1.00 0.00 N ATOM 1067 CA ALA A 76 0.962 3.264 -11.985 1.00 0.00 C ATOM 1068 C ALA A 76 1.609 4.169 -10.941 1.00 0.00 C ATOM 1069 O ALA A 76 1.272 5.349 -10.833 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.143 2.432 -11.352 1.00 0.00 C ATOM 0 H ALA A 76 1.895 1.419 -12.331 1.00 0.00 H new ATOM 0 HA ALA A 76 0.527 3.897 -12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.875 3.093 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.632 1.832 -12.120 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.285 1.774 -10.595 1.00 0.00 H new ATOM 1076 N LEU A 77 2.538 3.609 -10.174 1.00 0.00 N ATOM 1077 CA LEU A 77 3.232 4.365 -9.138 1.00 0.00 C ATOM 1078 C LEU A 77 4.025 5.519 -9.744 1.00 0.00 C ATOM 1079 O LEU A 77 4.133 6.591 -9.149 1.00 0.00 O ATOM 1080 CB LEU A 77 4.168 3.447 -8.349 1.00 0.00 C ATOM 1081 CG LEU A 77 3.491 2.423 -7.438 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.523 1.484 -6.832 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.698 3.123 -6.344 1.00 0.00 C ATOM 0 H LEU A 77 2.828 2.634 -10.250 1.00 0.00 H new ATOM 0 HA LEU A 77 2.483 4.778 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.801 2.912 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.825 4.068 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 77 2.799 1.832 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.023 0.762 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.047 0.956 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.239 2.060 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.223 2.378 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.369 3.739 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.933 3.754 -6.796 1.00 0.00 H new ATOM 1095 N SER A 78 4.576 5.291 -10.932 1.00 0.00 N ATOM 1096 CA SER A 78 5.360 6.311 -11.619 1.00 0.00 C ATOM 1097 C SER A 78 4.522 7.559 -11.876 1.00 0.00 C ATOM 1098 O SER A 78 4.865 8.654 -11.429 1.00 0.00 O ATOM 1099 CB SER A 78 5.901 5.764 -12.942 1.00 0.00 C ATOM 1100 OG SER A 78 6.572 6.774 -13.675 1.00 0.00 O ATOM 0 H SER A 78 4.494 4.409 -11.439 1.00 0.00 H new ATOM 0 HA SER A 78 6.198 6.583 -10.977 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.585 4.938 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.080 5.363 -13.536 1.00 0.00 H new ATOM 0 HG SER A 78 6.910 6.399 -14.515 1.00 0.00 H new ATOM 1106 N ASP A 79 3.422 7.386 -12.600 1.00 0.00 N ATOM 1107 CA ASP A 79 2.532 8.498 -12.917 1.00 0.00 C ATOM 1108 C ASP A 79 2.241 9.332 -11.674 1.00 0.00 C ATOM 1109 O ASP A 79 2.281 10.562 -11.717 1.00 0.00 O ATOM 1110 CB ASP A 79 1.224 7.978 -13.515 1.00 0.00 C ATOM 1111 CG ASP A 79 0.564 8.989 -14.432 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.773 10.202 -14.224 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -0.161 8.567 -15.357 1.00 0.00 O ATOM 0 H ASP A 79 3.125 6.487 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 79 3.030 9.132 -13.650 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.421 7.062 -14.071 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.537 7.720 -12.709 1.00 0.00 H new ATOM 1118 N MET A 80 1.948 8.656 -10.569 1.00 0.00 N ATOM 1119 CA MET A 80 1.650 9.336 -9.313 1.00 0.00 C ATOM 1120 C MET A 80 2.888 10.044 -8.771 1.00 0.00 C ATOM 1121 O MET A 80 2.801 11.153 -8.247 1.00 0.00 O ATOM 1122 CB MET A 80 1.126 8.337 -8.279 1.00 0.00 C ATOM 1123 CG MET A 80 -0.126 7.600 -8.727 1.00 0.00 C ATOM 1124 SD MET A 80 -0.899 6.670 -7.390 1.00 0.00 S ATOM 1125 CE MET A 80 -1.032 7.937 -6.130 1.00 0.00 C ATOM 0 H MET A 80 1.910 7.638 -10.517 1.00 0.00 H new ATOM 0 HA MET A 80 0.881 10.084 -9.507 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.907 7.609 -8.060 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.914 8.866 -7.350 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.842 8.318 -9.127 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.129 6.918 -9.539 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.797 7.653 -5.407 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.074 8.046 -5.621 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.306 8.884 -6.594 1.00 0.00 H new ATOM 1135 N GLY A 81 4.041 9.394 -8.902 1.00 0.00 N ATOM 1136 CA GLY A 81 5.279 9.977 -8.420 1.00 0.00 C ATOM 1137 C GLY A 81 5.781 9.309 -7.155 1.00 0.00 C ATOM 1138 O GLY A 81 6.600 9.873 -6.428 1.00 0.00 O ATOM 0 H GLY A 81 4.139 8.475 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.041 9.898 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.127 11.040 -8.230 1.00 0.00 H new ATOM 1142 N LEU A 82 5.290 8.103 -6.890 1.00 0.00 N ATOM 1143 CA LEU A 82 5.692 7.357 -5.703 1.00 0.00 C ATOM 1144 C LEU A 82 6.971 6.567 -5.963 1.00 0.00 C ATOM 1145 O LEU A 82 6.926 5.365 -6.221 1.00 0.00 O ATOM 1146 CB LEU A 82 4.573 6.409 -5.268 1.00 0.00 C ATOM 1147 CG LEU A 82 3.288 7.072 -4.769 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.085 6.188 -5.059 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.386 7.371 -3.280 1.00 0.00 C ATOM 0 H LEU A 82 4.613 7.621 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 82 5.885 8.072 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.322 5.764 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.957 5.765 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 82 3.157 8.015 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.180 6.675 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.004 6.024 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.208 5.230 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.463 7.842 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.541 6.442 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.225 8.043 -3.098 1.00 0.00 H new ATOM 1161 N GLU A 83 8.108 7.252 -5.893 1.00 0.00 N ATOM 1162 CA GLU A 83 9.399 6.613 -6.120 1.00 0.00 C ATOM 1163 C GLU A 83 9.726 5.632 -4.997 1.00 0.00 C ATOM 1164 O GLU A 83 10.052 4.473 -5.248 1.00 0.00 O ATOM 1165 CB GLU A 83 10.503 7.667 -6.229 1.00 0.00 C ATOM 1166 CG GLU A 83 10.272 8.677 -7.340 1.00 0.00 C ATOM 1167 CD GLU A 83 11.561 9.303 -7.837 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.265 8.655 -8.639 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.865 10.441 -7.423 1.00 0.00 O ATOM 0 H GLU A 83 8.161 8.248 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 83 9.341 6.059 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.584 8.196 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.457 7.166 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.766 8.187 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.607 9.462 -6.980 1.00 0.00 H new ATOM 1176 N GLU A 84 9.636 6.108 -3.759 1.00 0.00 N ATOM 1177 CA GLU A 84 9.923 5.273 -2.598 1.00 0.00 C ATOM 1178 C GLU A 84 9.446 3.842 -2.826 1.00 0.00 C ATOM 1179 O GLU A 84 10.188 2.886 -2.604 1.00 0.00 O ATOM 1180 CB GLU A 84 9.257 5.853 -1.349 1.00 0.00 C ATOM 1181 CG GLU A 84 9.924 5.427 -0.051 1.00 0.00 C ATOM 1182 CD GLU A 84 11.192 6.207 0.236 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.096 7.432 0.463 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.280 5.594 0.234 1.00 0.00 O ATOM 0 H GLU A 84 9.367 7.066 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 84 11.003 5.257 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.268 6.941 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.212 5.545 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.224 5.562 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.159 4.364 -0.099 1.00 0.00 H new ATOM 1191 N GLY A 85 8.200 3.703 -3.269 1.00 0.00 N ATOM 1192 CA GLY A 85 7.644 2.386 -3.518 1.00 0.00 C ATOM 1193 C GLY A 85 8.327 1.677 -4.670 1.00 0.00 C ATOM 1194 O GLY A 85 8.730 0.520 -4.546 1.00 0.00 O ATOM 0 H GLY A 85 7.566 4.479 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.736 1.780 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.579 2.479 -3.733 1.00 0.00 H new ATOM 1198 N VAL A 86 8.456 2.370 -5.797 1.00 0.00 N ATOM 1199 CA VAL A 86 9.095 1.799 -6.977 1.00 0.00 C ATOM 1200 C VAL A 86 10.468 1.230 -6.637 1.00 0.00 C ATOM 1201 O VAL A 86 10.804 0.113 -7.034 1.00 0.00 O ATOM 1202 CB VAL A 86 9.248 2.847 -8.095 1.00 0.00 C ATOM 1203 CG1 VAL A 86 9.969 2.249 -9.293 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.889 3.397 -8.500 1.00 0.00 C ATOM 0 H VAL A 86 8.126 3.328 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 86 8.449 0.995 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 86 9.849 3.673 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.068 3.004 -10.073 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.959 1.909 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.398 1.404 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.017 4.136 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.260 2.583 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.415 3.866 -7.638 1.00 0.00 H new ATOM 1214 N ARG A 87 11.258 2.004 -5.901 1.00 0.00 N ATOM 1215 CA ARG A 87 12.596 1.577 -5.508 1.00 0.00 C ATOM 1216 C ARG A 87 12.528 0.395 -4.546 1.00 0.00 C ATOM 1217 O ARG A 87 13.411 -0.463 -4.537 1.00 0.00 O ATOM 1218 CB ARG A 87 13.354 2.736 -4.858 1.00 0.00 C ATOM 1219 CG ARG A 87 13.703 3.855 -5.826 1.00 0.00 C ATOM 1220 CD ARG A 87 14.161 5.105 -5.091 1.00 0.00 C ATOM 1221 NE ARG A 87 15.524 4.973 -4.584 1.00 0.00 N ATOM 1222 CZ ARG A 87 16.226 5.988 -4.092 1.00 0.00 C ATOM 1223 NH1 ARG A 87 15.696 7.202 -4.039 1.00 0.00 N ATOM 1224 NH2 ARG A 87 17.461 5.789 -3.650 1.00 0.00 N ATOM 0 H ARG A 87 10.995 2.930 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 87 13.129 1.262 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.751 3.144 -4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.272 2.354 -4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.490 3.520 -6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.834 4.091 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.106 5.961 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.483 5.306 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 87 15.961 4.052 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.746 7.359 -4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.238 7.979 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.872 4.856 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.999 6.569 -3.272 1.00 0.00 H new ATOM 1238 N LEU A 88 11.476 0.358 -3.735 1.00 0.00 N ATOM 1239 CA LEU A 88 11.293 -0.718 -2.768 1.00 0.00 C ATOM 1240 C LEU A 88 10.988 -2.036 -3.471 1.00 0.00 C ATOM 1241 O LEU A 88 11.675 -3.038 -3.261 1.00 0.00 O ATOM 1242 CB LEU A 88 10.163 -0.371 -1.797 1.00 0.00 C ATOM 1243 CG LEU A 88 9.641 -1.522 -0.936 1.00 0.00 C ATOM 1244 CD1 LEU A 88 10.766 -2.121 -0.107 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.509 -1.044 -0.038 1.00 0.00 C ATOM 0 H LEU A 88 10.737 1.061 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 88 12.222 -0.832 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.510 0.423 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.329 0.034 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 88 9.252 -2.298 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.376 -2.938 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.544 -2.500 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.186 -1.355 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.149 -1.876 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.873 -0.250 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.693 -0.663 -0.652 1.00 0.00 H new ATOM 1257 N LEU A 89 9.956 -2.030 -4.307 1.00 0.00 N ATOM 1258 CA LEU A 89 9.561 -3.225 -5.044 1.00 0.00 C ATOM 1259 C LEU A 89 10.764 -3.866 -5.728 1.00 0.00 C ATOM 1260 O LEU A 89 11.030 -5.055 -5.551 1.00 0.00 O ATOM 1261 CB LEU A 89 8.495 -2.878 -6.084 1.00 0.00 C ATOM 1262 CG LEU A 89 7.136 -2.444 -5.534 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.269 -1.869 -6.643 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.436 -3.615 -4.859 1.00 0.00 C ATOM 0 H LEU A 89 9.377 -1.211 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 89 9.147 -3.940 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.880 -2.079 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.344 -3.747 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 89 7.299 -1.665 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.306 -1.566 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.765 -1.003 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.113 -2.625 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.470 -3.288 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.285 -4.415 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.050 -3.981 -4.036 1.00 0.00 H new ATOM 1276 N ARG A 90 11.490 -3.070 -6.506 1.00 0.00 N ATOM 1277 CA ARG A 90 12.666 -3.560 -7.215 1.00 0.00 C ATOM 1278 C ARG A 90 13.821 -3.804 -6.248 1.00 0.00 C ATOM 1279 O ARG A 90 14.533 -4.801 -6.355 1.00 0.00 O ATOM 1280 CB ARG A 90 13.091 -2.561 -8.293 1.00 0.00 C ATOM 1281 CG ARG A 90 13.358 -1.164 -7.757 1.00 0.00 C ATOM 1282 CD ARG A 90 13.099 -0.102 -8.814 1.00 0.00 C ATOM 1283 NE ARG A 90 14.282 0.156 -9.631 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.486 1.292 -10.290 1.00 0.00 C ATOM 1285 NH1 ARG A 90 13.592 2.268 -10.227 1.00 0.00 N ATOM 1286 NH2 ARG A 90 15.587 1.452 -11.013 1.00 0.00 N ATOM 0 H ARG A 90 11.285 -2.083 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 90 12.406 -4.506 -7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.991 -2.931 -8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.312 -2.507 -9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.724 -0.978 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.391 -1.095 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.278 -0.422 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.784 0.822 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 90 14.990 -0.575 -9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.745 2.148 -9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.751 3.139 -10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.277 0.703 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.743 2.324 -11.519 1.00 0.00 H new ATOM 1300 N GLY A 91 14.001 -2.884 -5.305 1.00 0.00 N ATOM 1301 CA GLY A 91 15.071 -3.017 -4.334 1.00 0.00 C ATOM 1302 C GLY A 91 16.442 -3.026 -4.980 1.00 0.00 C ATOM 1303 O GLY A 91 17.025 -4.080 -5.234 1.00 0.00 O ATOM 0 H GLY A 91 13.425 -2.049 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.014 -2.195 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.933 -3.939 -3.769 1.00 0.00 H new ATOM 1307 N PRO A 92 16.978 -1.828 -5.256 1.00 0.00 N ATOM 1308 CA PRO A 92 18.295 -1.675 -5.881 1.00 0.00 C ATOM 1309 C PRO A 92 19.431 -2.075 -4.946 1.00 0.00 C ATOM 1310 O PRO A 92 19.554 -1.545 -3.842 1.00 0.00 O ATOM 1311 CB PRO A 92 18.366 -0.179 -6.198 1.00 0.00 C ATOM 1312 CG PRO A 92 17.446 0.460 -5.216 1.00 0.00 C ATOM 1313 CD PRO A 92 16.339 -0.530 -4.980 1.00 0.00 C ATOM 0 HA PRO A 92 18.407 -2.316 -6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.383 0.200 -6.093 1.00 0.00 H new ATOM 0 HB3 PRO A 92 18.054 0.024 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 92 17.967 0.692 -4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 92 17.053 1.400 -5.604 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.963 -0.476 -3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.491 -0.351 -5.642 1.00 0.00 H new ATOM 1321 N GLU A 93 20.258 -3.014 -5.395 1.00 0.00 N ATOM 1322 CA GLU A 93 21.383 -3.485 -4.596 1.00 0.00 C ATOM 1323 C GLU A 93 22.593 -2.571 -4.768 1.00 0.00 C ATOM 1324 O GLU A 93 23.427 -2.783 -5.648 1.00 0.00 O ATOM 1325 CB GLU A 93 21.753 -4.917 -4.990 1.00 0.00 C ATOM 1326 CG GLU A 93 21.478 -5.237 -6.450 1.00 0.00 C ATOM 1327 CD GLU A 93 20.069 -5.749 -6.680 1.00 0.00 C ATOM 1328 OE1 GLU A 93 19.681 -6.735 -6.019 1.00 0.00 O ATOM 1329 OE2 GLU A 93 19.356 -5.163 -7.520 1.00 0.00 O ATOM 0 H GLU A 93 20.170 -3.463 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 93 21.083 -3.469 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 93 22.811 -5.080 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 93 21.196 -5.613 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.638 -4.342 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 93 22.193 -5.984 -6.795 1.00 0.00 H new ATOM 1336 N THR A 94 22.681 -1.551 -3.919 1.00 0.00 N ATOM 1337 CA THR A 94 23.786 -0.602 -3.977 1.00 0.00 C ATOM 1338 C THR A 94 24.654 -0.693 -2.727 1.00 0.00 C ATOM 1339 O THR A 94 25.797 -0.235 -2.718 1.00 0.00 O ATOM 1340 CB THR A 94 23.278 0.843 -4.132 1.00 0.00 C ATOM 1341 OG1 THR A 94 22.305 1.132 -3.122 1.00 0.00 O ATOM 1342 CG2 THR A 94 22.667 1.057 -5.509 1.00 0.00 C ATOM 0 H THR A 94 22.000 -1.361 -3.183 1.00 0.00 H new ATOM 0 HA THR A 94 24.383 -0.864 -4.851 1.00 0.00 H new ATOM 0 HB THR A 94 24.127 1.517 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.988 2.054 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 94 22.315 2.085 -5.595 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.419 0.866 -6.274 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.829 0.374 -5.645 1.00 0.00 H new ATOM 1350 N ARG A 95 24.104 -1.286 -1.672 1.00 0.00 N ATOM 1351 CA ARG A 95 24.828 -1.435 -0.416 1.00 0.00 C ATOM 1352 C ARG A 95 24.617 -2.828 0.171 1.00 0.00 C ATOM 1353 O ARG A 95 23.504 -3.190 0.551 1.00 0.00 O ATOM 1354 CB ARG A 95 24.376 -0.373 0.588 1.00 0.00 C ATOM 1355 CG ARG A 95 25.232 -0.316 1.842 1.00 0.00 C ATOM 1356 CD ARG A 95 24.665 0.660 2.861 1.00 0.00 C ATOM 1357 NE ARG A 95 23.301 0.312 3.252 1.00 0.00 N ATOM 1358 CZ ARG A 95 22.223 0.686 2.573 1.00 0.00 C ATOM 1359 NH1 ARG A 95 22.349 1.416 1.473 1.00 0.00 N ATOM 1360 NH2 ARG A 95 21.016 0.329 2.992 1.00 0.00 N ATOM 0 H ARG A 95 23.159 -1.671 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 95 25.890 -1.302 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 95 24.392 0.603 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 95 23.343 -0.571 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 95 25.296 -1.310 2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 95 26.247 -0.019 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 95 25.303 0.673 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 95 24.677 1.667 2.444 1.00 0.00 H new ATOM 0 HE ARG A 95 23.170 -0.249 4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 95 23.275 1.691 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 95 21.519 1.702 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.915 -0.234 3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 95 20.189 0.617 2.469 1.00 0.00 H new ATOM 1374 N ASP A 96 25.694 -3.603 0.242 1.00 0.00 N ATOM 1375 CA ASP A 96 25.627 -4.956 0.783 1.00 0.00 C ATOM 1376 C ASP A 96 26.914 -5.309 1.523 1.00 0.00 C ATOM 1377 O ASP A 96 28.001 -5.285 0.945 1.00 0.00 O ATOM 1378 CB ASP A 96 25.374 -5.965 -0.338 1.00 0.00 C ATOM 1379 CG ASP A 96 26.127 -5.619 -1.608 1.00 0.00 C ATOM 1380 OD1 ASP A 96 27.356 -5.410 -1.530 1.00 0.00 O ATOM 1381 OD2 ASP A 96 25.488 -5.558 -2.679 1.00 0.00 O ATOM 0 H ASP A 96 26.623 -3.318 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 96 24.799 -4.998 1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 96 25.670 -6.959 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 96 24.306 -6.006 -0.552 1.00 0.00 H new ATOM 1386 N LYS A 97 26.783 -5.637 2.804 1.00 0.00 N ATOM 1387 CA LYS A 97 27.934 -5.996 3.623 1.00 0.00 C ATOM 1388 C LYS A 97 27.530 -6.954 4.739 1.00 0.00 C ATOM 1389 O LYS A 97 26.536 -6.733 5.432 1.00 0.00 O ATOM 1390 CB LYS A 97 28.572 -4.740 4.222 1.00 0.00 C ATOM 1391 CG LYS A 97 29.861 -5.013 4.978 1.00 0.00 C ATOM 1392 CD LYS A 97 31.056 -5.063 4.041 1.00 0.00 C ATOM 1393 CE LYS A 97 32.368 -5.021 4.810 1.00 0.00 C ATOM 1394 NZ LYS A 97 32.687 -6.334 5.435 1.00 0.00 N ATOM 0 H LYS A 97 25.891 -5.662 3.297 1.00 0.00 H new ATOM 0 HA LYS A 97 28.661 -6.496 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 97 28.774 -4.028 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.858 -4.267 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 97 30.017 -4.236 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 97 29.777 -5.959 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 97 31.013 -5.973 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 97 31.012 -4.223 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 97 33.175 -4.734 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 97 32.311 -4.255 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 33.588 -6.264 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 31.930 -6.596 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 32.767 -7.061 4.695 1.00 0.00 H new ATOM 1408 N LEU A 98 28.307 -8.018 4.909 1.00 0.00 N ATOM 1409 CA LEU A 98 28.031 -9.010 5.942 1.00 0.00 C ATOM 1410 C LEU A 98 29.284 -9.310 6.758 1.00 0.00 C ATOM 1411 O LEU A 98 30.401 -9.333 6.241 1.00 0.00 O ATOM 1412 CB LEU A 98 27.499 -10.298 5.311 1.00 0.00 C ATOM 1413 CG LEU A 98 28.393 -10.946 4.253 1.00 0.00 C ATOM 1414 CD1 LEU A 98 28.172 -12.450 4.215 1.00 0.00 C ATOM 1415 CD2 LEU A 98 28.132 -10.332 2.886 1.00 0.00 C ATOM 0 H LEU A 98 29.133 -8.216 4.345 1.00 0.00 H new ATOM 0 HA LEU A 98 27.274 -8.601 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 98 27.326 -11.024 6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 98 26.531 -10.084 4.858 1.00 0.00 H new ATOM 0 HG LEU A 98 29.433 -10.759 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 98 28.817 -12.893 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 98 28.411 -12.878 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 98 27.130 -12.659 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 98 28.777 -10.805 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 98 27.089 -10.487 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 98 28.343 -9.263 2.921 1.00 0.00 H new ATOM 1427 N PRO A 99 29.097 -9.546 8.065 1.00 0.00 N ATOM 1428 CA PRO A 99 30.200 -9.851 8.981 1.00 0.00 C ATOM 1429 C PRO A 99 30.808 -11.226 8.719 1.00 0.00 C ATOM 1430 O PRO A 99 31.790 -11.611 9.352 1.00 0.00 O ATOM 1431 CB PRO A 99 29.538 -9.814 10.360 1.00 0.00 C ATOM 1432 CG PRO A 99 28.104 -10.120 10.100 1.00 0.00 C ATOM 1433 CD PRO A 99 27.793 -9.534 8.750 1.00 0.00 C ATOM 0 HA PRO A 99 31.026 -9.149 8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.983 -10.547 11.033 1.00 0.00 H new ATOM 0 HB3 PRO A 99 29.656 -8.837 10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 99 27.927 -11.195 10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 99 27.467 -9.686 10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 99 27.052 -10.128 8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.392 -8.524 8.833 1.00 0.00 H new ATOM 1441 N SER A 100 30.217 -11.960 7.781 1.00 0.00 N ATOM 1442 CA SER A 100 30.698 -13.293 7.438 1.00 0.00 C ATOM 1443 C SER A 100 30.764 -14.182 8.676 1.00 0.00 C ATOM 1444 O SER A 100 31.559 -15.120 8.740 1.00 0.00 O ATOM 1445 CB SER A 100 32.078 -13.207 6.783 1.00 0.00 C ATOM 1446 OG SER A 100 32.056 -12.346 5.658 1.00 0.00 O ATOM 0 H SER A 100 29.405 -11.654 7.245 1.00 0.00 H new ATOM 0 HA SER A 100 29.996 -13.736 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.806 -12.844 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.401 -14.202 6.477 1.00 0.00 H new ATOM 0 HG SER A 100 32.950 -12.307 5.258 1.00 0.00 H new ATOM 1452 N THR A 101 29.922 -13.880 9.660 1.00 0.00 N ATOM 1453 CA THR A 101 29.885 -14.649 10.897 1.00 0.00 C ATOM 1454 C THR A 101 28.453 -15.009 11.278 1.00 0.00 C ATOM 1455 O THR A 101 27.515 -14.283 10.953 1.00 0.00 O ATOM 1456 CB THR A 101 30.534 -13.875 12.060 1.00 0.00 C ATOM 1457 OG1 THR A 101 31.832 -13.409 11.674 1.00 0.00 O ATOM 1458 CG2 THR A 101 30.651 -14.753 13.297 1.00 0.00 C ATOM 0 H THR A 101 29.257 -13.108 9.624 1.00 0.00 H new ATOM 0 HA THR A 101 30.452 -15.563 10.718 1.00 0.00 H new ATOM 0 HB THR A 101 29.899 -13.022 12.299 1.00 0.00 H new ATOM 0 HG1 THR A 101 31.740 -12.722 10.982 1.00 0.00 H new ATOM 0 HG21 THR A 101 31.112 -14.184 14.105 1.00 0.00 H new ATOM 0 HG22 THR A 101 29.658 -15.081 13.605 1.00 0.00 H new ATOM 0 HG23 THR A 101 31.266 -15.623 13.069 1.00 0.00 H new ATOM 1466 N GLU A 102 28.294 -16.133 11.969 1.00 0.00 N ATOM 1467 CA GLU A 102 26.976 -16.588 12.394 1.00 0.00 C ATOM 1468 C GLU A 102 26.781 -16.370 13.892 1.00 0.00 C ATOM 1469 O GLU A 102 27.556 -16.867 14.709 1.00 0.00 O ATOM 1470 CB GLU A 102 26.789 -18.068 12.054 1.00 0.00 C ATOM 1471 CG GLU A 102 26.912 -18.373 10.571 1.00 0.00 C ATOM 1472 CD GLU A 102 27.325 -19.807 10.302 1.00 0.00 C ATOM 1473 OE1 GLU A 102 26.432 -20.675 10.211 1.00 0.00 O ATOM 1474 OE2 GLU A 102 28.542 -20.060 10.183 1.00 0.00 O ATOM 0 H GLU A 102 29.061 -16.745 12.246 1.00 0.00 H new ATOM 0 HA GLU A 102 26.228 -16.002 11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.529 -18.653 12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 102 25.808 -18.391 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 102 25.957 -18.176 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 102 27.643 -17.699 10.125 1.00 0.00 H new ATOM 1481 N VAL A 103 25.740 -15.622 14.244 1.00 0.00 N ATOM 1482 CA VAL A 103 25.442 -15.338 15.643 1.00 0.00 C ATOM 1483 C VAL A 103 24.764 -16.527 16.313 1.00 0.00 C ATOM 1484 O VAL A 103 23.871 -17.150 15.739 1.00 0.00 O ATOM 1485 CB VAL A 103 24.537 -14.099 15.783 1.00 0.00 C ATOM 1486 CG1 VAL A 103 24.236 -13.821 17.248 1.00 0.00 C ATOM 1487 CG2 VAL A 103 25.184 -12.890 15.125 1.00 0.00 C ATOM 0 H VAL A 103 25.089 -15.202 13.580 1.00 0.00 H new ATOM 0 HA VAL A 103 26.394 -15.142 16.136 1.00 0.00 H new ATOM 0 HB VAL A 103 23.594 -14.300 15.274 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.596 -12.942 17.328 1.00 0.00 H new ATOM 0 HG12 VAL A 103 23.728 -14.681 17.685 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.168 -13.640 17.783 1.00 0.00 H new ATOM 0 HG21 VAL A 103 24.531 -12.024 15.233 1.00 0.00 H new ATOM 0 HG22 VAL A 103 26.142 -12.685 15.603 1.00 0.00 H new ATOM 0 HG23 VAL A 103 25.343 -13.094 14.066 1.00 0.00 H new ATOM 1497 N SER A 104 25.195 -16.837 17.532 1.00 0.00 N ATOM 1498 CA SER A 104 24.632 -17.955 18.280 1.00 0.00 C ATOM 1499 C SER A 104 24.511 -17.611 19.762 1.00 0.00 C ATOM 1500 O SER A 104 25.174 -16.699 20.255 1.00 0.00 O ATOM 1501 CB SER A 104 25.498 -19.203 18.103 1.00 0.00 C ATOM 1502 OG SER A 104 26.857 -18.925 18.394 1.00 0.00 O ATOM 0 H SER A 104 25.932 -16.330 18.022 1.00 0.00 H new ATOM 0 HA SER A 104 23.635 -18.156 17.889 1.00 0.00 H new ATOM 0 HB2 SER A 104 25.137 -19.996 18.758 1.00 0.00 H new ATOM 0 HB3 SER A 104 25.409 -19.569 17.080 1.00 0.00 H new ATOM 0 HG SER A 104 27.390 -19.739 18.275 1.00 0.00 H new ATOM 1508 N GLY A 105 23.660 -18.350 20.467 1.00 0.00 N ATOM 1509 CA GLY A 105 23.467 -18.109 21.885 1.00 0.00 C ATOM 1510 C GLY A 105 22.009 -17.907 22.246 1.00 0.00 C ATOM 1511 O GLY A 105 21.202 -17.460 21.431 1.00 0.00 O ATOM 0 H GLY A 105 23.101 -19.111 20.082 1.00 0.00 H new ATOM 0 HA2 GLY A 105 23.865 -18.951 22.451 1.00 0.00 H new ATOM 0 HA3 GLY A 105 24.037 -17.228 22.181 1.00 0.00 H new ATOM 1515 N PRO A 106 21.653 -18.242 23.495 1.00 0.00 N ATOM 1516 CA PRO A 106 20.280 -18.105 23.990 1.00 0.00 C ATOM 1517 C PRO A 106 19.867 -16.646 24.159 1.00 0.00 C ATOM 1518 O PRO A 106 18.693 -16.344 24.369 1.00 0.00 O ATOM 1519 CB PRO A 106 20.320 -18.810 25.349 1.00 0.00 C ATOM 1520 CG PRO A 106 21.743 -18.719 25.780 1.00 0.00 C ATOM 1521 CD PRO A 106 22.563 -18.780 24.520 1.00 0.00 C ATOM 0 HA PRO A 106 19.553 -18.528 23.296 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.657 -18.326 26.066 1.00 0.00 H new ATOM 0 HB3 PRO A 106 19.997 -19.848 25.267 1.00 0.00 H new ATOM 0 HG2 PRO A 106 21.928 -17.791 26.321 1.00 0.00 H new ATOM 0 HG3 PRO A 106 22.000 -19.537 26.453 1.00 0.00 H new ATOM 0 HD2 PRO A 106 23.472 -18.184 24.603 1.00 0.00 H new ATOM 0 HD3 PRO A 106 22.870 -19.800 24.289 1.00 0.00 H new ATOM 1529 N SER A 107 20.841 -15.746 24.066 1.00 0.00 N ATOM 1530 CA SER A 107 20.579 -14.319 24.212 1.00 0.00 C ATOM 1531 C SER A 107 19.424 -13.884 23.316 1.00 0.00 C ATOM 1532 O SER A 107 18.393 -13.415 23.797 1.00 0.00 O ATOM 1533 CB SER A 107 21.834 -13.512 23.873 1.00 0.00 C ATOM 1534 OG SER A 107 22.912 -13.865 24.723 1.00 0.00 O ATOM 0 H SER A 107 21.818 -15.980 23.890 1.00 0.00 H new ATOM 0 HA SER A 107 20.302 -14.130 25.249 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.113 -13.687 22.834 1.00 0.00 H new ATOM 0 HB3 SER A 107 21.623 -12.447 23.971 1.00 0.00 H new ATOM 0 HG SER A 107 23.703 -13.337 24.485 1.00 0.00 H new ATOM 1540 N SER A 108 19.604 -14.045 22.008 1.00 0.00 N ATOM 1541 CA SER A 108 18.579 -13.666 21.043 1.00 0.00 C ATOM 1542 C SER A 108 18.031 -12.275 21.350 1.00 0.00 C ATOM 1543 O SER A 108 16.826 -12.040 21.273 1.00 0.00 O ATOM 1544 CB SER A 108 17.441 -14.688 21.048 1.00 0.00 C ATOM 1545 OG SER A 108 16.527 -14.438 19.994 1.00 0.00 O ATOM 0 H SER A 108 20.450 -14.435 21.593 1.00 0.00 H new ATOM 0 HA SER A 108 19.036 -13.647 20.054 1.00 0.00 H new ATOM 0 HB2 SER A 108 17.850 -15.693 20.948 1.00 0.00 H new ATOM 0 HB3 SER A 108 16.918 -14.650 22.004 1.00 0.00 H new ATOM 0 HG SER A 108 16.232 -13.504 20.031 1.00 0.00 H new ATOM 1551 N GLY A 109 18.927 -11.357 21.700 1.00 0.00 N ATOM 1552 CA GLY A 109 18.515 -10.001 22.014 1.00 0.00 C ATOM 1553 C GLY A 109 18.639 -9.685 23.492 1.00 0.00 C ATOM 1554 O GLY A 109 18.356 -10.532 24.340 1.00 0.00 O ATOM 0 H GLY A 109 19.930 -11.528 21.772 1.00 0.00 H new ATOM 0 HA2 GLY A 109 19.122 -9.299 21.443 1.00 0.00 H new ATOM 0 HA3 GLY A 109 17.481 -9.857 21.700 1.00 0.00 H new TER 1558 GLY A 109