USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 412 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 13 MET CE :methyl 136:sc= -4.61! (180deg=-8.45!) USER MOD Set 1.2: A 27 ASN : amide:sc= -3.05 X(o=-7.7,f=-7.5) 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 33:sc= 0.153 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 8 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.06) USER MOD Single : A 9 THR OG1 : rot -23:sc= 0.547 USER MOD Single : A 15 HIS : no HD1:sc= -0.0969 K(o=-0.097,f=-1.2) USER MOD Single : A 19 MET CE :methyl -163:sc= -9.43! (180deg=-10.4!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0191) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -6.37! C(o=-6.4!,f=-5.5!) USER MOD Single : A 35 ASN : amide:sc= -6.01! C(o=-6!,f=-6.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.998 USER MOD Single : A 37 ASN : amide:sc= -14! C(o=-14!,f=-21!) USER MOD Single : A 40 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.9!) USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.695 USER MOD Single : A 47 GLN : amide:sc= -0.597 K(o=-0.6,f=-3.8!) USER MOD Single : A 49 SER OG : rot 40:sc= 1.04 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.155 7.125 0.145 1.00 0.00 N ATOM 2 CA GLY A 1 -17.668 5.767 -0.006 1.00 0.00 C ATOM 3 C GLY A 1 -16.189 5.643 0.302 1.00 0.00 C ATOM 4 O GLY A 1 -15.796 4.902 1.203 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.171 7.156 -0.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.005 7.441 1.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.639 7.753 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.230 5.107 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.853 5.429 -1.026 1.00 0.00 H new ATOM 8 N SER A 2 -15.367 6.368 -0.450 1.00 0.00 N ATOM 9 CA SER A 2 -13.922 6.332 -0.256 1.00 0.00 C ATOM 10 C SER A 2 -13.522 7.108 0.995 1.00 0.00 C ATOM 11 O SER A 2 -13.643 8.332 1.044 1.00 0.00 O ATOM 12 CB SER A 2 -13.208 6.910 -1.479 1.00 0.00 C ATOM 13 OG SER A 2 -13.361 6.064 -2.606 1.00 0.00 O ATOM 0 H SER A 2 -15.677 6.987 -1.199 1.00 0.00 H new ATOM 0 HA SER A 2 -13.623 5.292 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.609 7.898 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.148 7.039 -1.258 1.00 0.00 H new ATOM 0 HG SER A 2 -12.897 6.456 -3.375 1.00 0.00 H new ATOM 19 N SER A 3 -13.046 6.387 2.004 1.00 0.00 N ATOM 20 CA SER A 3 -12.631 7.006 3.258 1.00 0.00 C ATOM 21 C SER A 3 -11.126 6.859 3.465 1.00 0.00 C ATOM 22 O SER A 3 -10.585 5.756 3.404 1.00 0.00 O ATOM 23 CB SER A 3 -13.382 6.379 4.434 1.00 0.00 C ATOM 24 OG SER A 3 -13.204 4.973 4.462 1.00 0.00 O ATOM 0 H SER A 3 -12.938 5.373 1.978 1.00 0.00 H new ATOM 0 HA SER A 3 -12.871 8.068 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.027 6.812 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.444 6.613 4.358 1.00 0.00 H new ATOM 0 HG SER A 3 -12.309 4.750 4.132 1.00 0.00 H new ATOM 30 N GLY A 4 -10.457 7.981 3.710 1.00 0.00 N ATOM 31 CA GLY A 4 -9.021 7.957 3.922 1.00 0.00 C ATOM 32 C GLY A 4 -8.248 7.757 2.633 1.00 0.00 C ATOM 33 O GLY A 4 -7.791 6.652 2.340 1.00 0.00 O ATOM 0 H GLY A 4 -10.883 8.906 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.710 8.892 4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.773 7.156 4.619 1.00 0.00 H new ATOM 37 N SER A 5 -8.102 8.829 1.860 1.00 0.00 N ATOM 38 CA SER A 5 -7.383 8.765 0.593 1.00 0.00 C ATOM 39 C SER A 5 -6.067 9.532 0.676 1.00 0.00 C ATOM 40 O SER A 5 -5.700 10.258 -0.248 1.00 0.00 O ATOM 41 CB SER A 5 -8.247 9.331 -0.536 1.00 0.00 C ATOM 42 OG SER A 5 -9.499 8.671 -0.601 1.00 0.00 O ATOM 0 H SER A 5 -8.472 9.752 2.089 1.00 0.00 H new ATOM 0 HA SER A 5 -7.160 7.719 0.381 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.403 10.398 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.725 9.222 -1.487 1.00 0.00 H new ATOM 0 HG SER A 5 -10.032 9.052 -1.329 1.00 0.00 H new ATOM 48 N SER A 6 -5.361 9.364 1.789 1.00 0.00 N ATOM 49 CA SER A 6 -4.087 10.043 1.996 1.00 0.00 C ATOM 50 C SER A 6 -3.058 9.592 0.964 1.00 0.00 C ATOM 51 O SER A 6 -2.748 8.406 0.857 1.00 0.00 O ATOM 52 CB SER A 6 -3.563 9.772 3.407 1.00 0.00 C ATOM 53 OG SER A 6 -2.580 10.722 3.778 1.00 0.00 O ATOM 0 H SER A 6 -5.649 8.764 2.562 1.00 0.00 H new ATOM 0 HA SER A 6 -4.251 11.114 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.389 9.803 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.140 8.769 3.454 1.00 0.00 H new ATOM 0 HG SER A 6 -2.263 10.527 4.685 1.00 0.00 H new ATOM 59 N GLY A 7 -2.530 10.549 0.206 1.00 0.00 N ATOM 60 CA GLY A 7 -1.542 10.231 -0.808 1.00 0.00 C ATOM 61 C GLY A 7 -2.100 9.347 -1.906 1.00 0.00 C ATOM 62 O GLY A 7 -2.964 9.771 -2.672 1.00 0.00 O ATOM 0 H GLY A 7 -2.769 11.538 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.166 11.155 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.694 9.732 -0.340 1.00 0.00 H new ATOM 66 N GLN A 8 -1.604 8.116 -1.982 1.00 0.00 N ATOM 67 CA GLN A 8 -2.057 7.172 -2.996 1.00 0.00 C ATOM 68 C GLN A 8 -2.648 5.922 -2.350 1.00 0.00 C ATOM 69 O GLN A 8 -1.969 4.905 -2.206 1.00 0.00 O ATOM 70 CB GLN A 8 -0.900 6.785 -3.918 1.00 0.00 C ATOM 71 CG GLN A 8 -0.606 7.820 -4.992 1.00 0.00 C ATOM 72 CD GLN A 8 0.246 8.965 -4.483 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.223 10.098 -4.364 1.00 0.00 O ATOM 74 NE2 GLN A 8 1.506 8.677 -4.179 1.00 0.00 N ATOM 0 H GLN A 8 -0.889 7.750 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.835 7.657 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.003 6.632 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.130 5.833 -4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.098 7.337 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.546 8.215 -5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.853 7.725 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.127 9.408 -3.832 1.00 0.00 H new ATOM 83 N THR A 9 -3.917 6.006 -1.963 1.00 0.00 N ATOM 84 CA THR A 9 -4.599 4.883 -1.332 1.00 0.00 C ATOM 85 C THR A 9 -5.648 4.284 -2.261 1.00 0.00 C ATOM 86 O THR A 9 -5.687 3.072 -2.470 1.00 0.00 O ATOM 87 CB THR A 9 -5.277 5.306 -0.015 1.00 0.00 C ATOM 88 OG1 THR A 9 -4.343 6.007 0.814 1.00 0.00 O ATOM 89 CG2 THR A 9 -5.813 4.093 0.731 1.00 0.00 C ATOM 0 H THR A 9 -4.493 6.840 -2.076 1.00 0.00 H new ATOM 0 HA THR A 9 -3.839 4.132 -1.116 1.00 0.00 H new ATOM 0 HB THR A 9 -6.112 5.963 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.430 5.753 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.287 4.416 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.545 3.578 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.991 3.415 0.961 1.00 0.00 H new ATOM 97 N ALA A 10 -6.498 5.141 -2.817 1.00 0.00 N ATOM 98 CA ALA A 10 -7.547 4.696 -3.727 1.00 0.00 C ATOM 99 C ALA A 10 -6.962 3.911 -4.896 1.00 0.00 C ATOM 100 O ALA A 10 -7.565 2.950 -5.373 1.00 0.00 O ATOM 101 CB ALA A 10 -8.345 5.888 -4.235 1.00 0.00 C ATOM 0 H ALA A 10 -6.481 6.148 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.215 4.034 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.125 5.541 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.802 6.406 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.681 6.571 -4.764 1.00 0.00 H new ATOM 107 N ALA A 11 -5.786 4.327 -5.353 1.00 0.00 N ATOM 108 CA ALA A 11 -5.120 3.662 -6.466 1.00 0.00 C ATOM 109 C ALA A 11 -4.629 2.276 -6.062 1.00 0.00 C ATOM 110 O ALA A 11 -5.070 1.265 -6.611 1.00 0.00 O ATOM 111 CB ALA A 11 -3.960 4.508 -6.970 1.00 0.00 C ATOM 0 H ALA A 11 -5.274 5.122 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.845 3.543 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.472 3.999 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.334 5.475 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.241 4.657 -6.164 1.00 0.00 H new ATOM 117 N LEU A 12 -3.714 2.234 -5.100 1.00 0.00 N ATOM 118 CA LEU A 12 -3.162 0.971 -4.623 1.00 0.00 C ATOM 119 C LEU A 12 -4.270 0.036 -4.150 1.00 0.00 C ATOM 120 O LEU A 12 -4.363 -1.107 -4.595 1.00 0.00 O ATOM 121 CB LEU A 12 -2.171 1.222 -3.485 1.00 0.00 C ATOM 122 CG LEU A 12 -1.067 2.242 -3.768 1.00 0.00 C ATOM 123 CD1 LEU A 12 0.084 2.068 -2.790 1.00 0.00 C ATOM 124 CD2 LEU A 12 -0.576 2.111 -5.202 1.00 0.00 C ATOM 0 H LEU A 12 -3.339 3.060 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.640 0.495 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.730 1.555 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.703 0.273 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.480 3.242 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.860 2.802 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.278 2.213 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.497 1.064 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.209 2.844 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.180 1.108 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.405 2.287 -5.888 1.00 0.00 H new ATOM 136 N MET A 13 -5.111 0.532 -3.248 1.00 0.00 N ATOM 137 CA MET A 13 -6.216 -0.258 -2.718 1.00 0.00 C ATOM 138 C MET A 13 -6.882 -1.072 -3.824 1.00 0.00 C ATOM 139 O MET A 13 -7.348 -2.186 -3.591 1.00 0.00 O ATOM 140 CB MET A 13 -7.247 0.652 -2.048 1.00 0.00 C ATOM 141 CG MET A 13 -6.920 0.976 -0.599 1.00 0.00 C ATOM 142 SD MET A 13 -7.605 -0.230 0.554 1.00 0.00 S ATOM 143 CE MET A 13 -6.160 -1.232 0.893 1.00 0.00 C ATOM 0 H MET A 13 -5.048 1.477 -2.869 1.00 0.00 H new ATOM 0 HA MET A 13 -5.813 -0.947 -1.976 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.320 1.582 -2.612 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.226 0.174 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.838 1.017 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.307 1.966 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.099 -1.432 1.963 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.236 -2.175 0.351 1.00 0.00 H new ATOM 0 HE3 MET A 13 -5.265 -0.700 0.572 1.00 0.00 H new ATOM 153 N ALA A 14 -6.923 -0.506 -5.026 1.00 0.00 N ATOM 154 CA ALA A 14 -7.530 -1.180 -6.167 1.00 0.00 C ATOM 155 C ALA A 14 -6.521 -2.078 -6.874 1.00 0.00 C ATOM 156 O ALA A 14 -6.770 -3.267 -7.081 1.00 0.00 O ATOM 157 CB ALA A 14 -8.104 -0.160 -7.138 1.00 0.00 C ATOM 0 H ALA A 14 -6.543 0.417 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.340 -1.809 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.554 -0.677 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.863 0.437 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.307 0.493 -7.493 1.00 0.00 H new ATOM 163 N HIS A 15 -5.381 -1.503 -7.245 1.00 0.00 N ATOM 164 CA HIS A 15 -4.334 -2.252 -7.930 1.00 0.00 C ATOM 165 C HIS A 15 -4.217 -3.664 -7.364 1.00 0.00 C ATOM 166 O HIS A 15 -4.128 -4.639 -8.112 1.00 0.00 O ATOM 167 CB HIS A 15 -2.994 -1.528 -7.805 1.00 0.00 C ATOM 168 CG HIS A 15 -2.891 -0.305 -8.665 1.00 0.00 C ATOM 169 ND1 HIS A 15 -3.992 0.382 -9.130 1.00 0.00 N ATOM 170 CD2 HIS A 15 -1.809 0.353 -9.142 1.00 0.00 C ATOM 171 CE1 HIS A 15 -3.591 1.409 -9.857 1.00 0.00 C ATOM 172 NE2 HIS A 15 -2.271 1.414 -9.880 1.00 0.00 N ATOM 0 H HIS A 15 -5.159 -0.521 -7.083 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.603 -2.323 -8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.839 -1.244 -6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.192 -2.217 -8.070 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.775 0.092 -8.973 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.234 2.124 -10.349 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.689 2.096 -10.367 1.00 0.00 H new ATOM 181 N LEU A 16 -4.217 -3.767 -6.040 1.00 0.00 N ATOM 182 CA LEU A 16 -4.111 -5.060 -5.373 1.00 0.00 C ATOM 183 C LEU A 16 -5.275 -5.968 -5.756 1.00 0.00 C ATOM 184 O LEU A 16 -5.081 -7.138 -6.086 1.00 0.00 O ATOM 185 CB LEU A 16 -4.073 -4.872 -3.855 1.00 0.00 C ATOM 186 CG LEU A 16 -2.705 -4.553 -3.252 1.00 0.00 C ATOM 187 CD1 LEU A 16 -1.723 -5.680 -3.530 1.00 0.00 C ATOM 188 CD2 LEU A 16 -2.176 -3.235 -3.798 1.00 0.00 C ATOM 0 H LEU A 16 -4.289 -2.971 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.184 -5.533 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.760 -4.068 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.451 -5.781 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.819 -4.456 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.755 -5.435 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.096 -6.605 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.613 -5.809 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.201 -3.024 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.078 -3.303 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.869 -2.432 -3.546 1.00 0.00 H new ATOM 200 N PHE A 17 -6.485 -5.421 -5.711 1.00 0.00 N ATOM 201 CA PHE A 17 -7.681 -6.181 -6.054 1.00 0.00 C ATOM 202 C PHE A 17 -7.604 -6.698 -7.488 1.00 0.00 C ATOM 203 O PHE A 17 -8.030 -7.815 -7.779 1.00 0.00 O ATOM 204 CB PHE A 17 -8.930 -5.313 -5.880 1.00 0.00 C ATOM 205 CG PHE A 17 -9.529 -5.395 -4.505 1.00 0.00 C ATOM 206 CD1 PHE A 17 -10.052 -6.588 -4.033 1.00 0.00 C ATOM 207 CD2 PHE A 17 -9.569 -4.279 -3.685 1.00 0.00 C ATOM 208 CE1 PHE A 17 -10.604 -6.667 -2.768 1.00 0.00 C ATOM 209 CE2 PHE A 17 -10.120 -4.352 -2.419 1.00 0.00 C ATOM 210 CZ PHE A 17 -10.638 -5.547 -1.960 1.00 0.00 C ATOM 0 H PHE A 17 -6.663 -4.454 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.744 -7.036 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.675 -4.275 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.678 -5.616 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.028 -7.467 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.165 -3.342 -4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.008 -7.603 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.145 -3.475 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.069 -5.606 -0.971 1.00 0.00 H new ATOM 220 N GLU A 18 -7.058 -5.876 -8.379 1.00 0.00 N ATOM 221 CA GLU A 18 -6.926 -6.251 -9.782 1.00 0.00 C ATOM 222 C GLU A 18 -5.675 -7.096 -10.004 1.00 0.00 C ATOM 223 O GLU A 18 -5.606 -7.885 -10.947 1.00 0.00 O ATOM 224 CB GLU A 18 -6.873 -5.001 -10.663 1.00 0.00 C ATOM 225 CG GLU A 18 -5.830 -3.988 -10.221 1.00 0.00 C ATOM 226 CD GLU A 18 -5.736 -2.800 -11.159 1.00 0.00 C ATOM 227 OE1 GLU A 18 -5.126 -2.946 -12.239 1.00 0.00 O ATOM 228 OE2 GLU A 18 -6.271 -1.726 -10.813 1.00 0.00 O ATOM 0 H GLU A 18 -6.700 -4.947 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.798 -6.845 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.665 -5.300 -11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.853 -4.524 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.073 -3.636 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.857 -4.476 -10.161 1.00 0.00 H new ATOM 235 N MET A 19 -4.689 -6.926 -9.130 1.00 0.00 N ATOM 236 CA MET A 19 -3.441 -7.674 -9.230 1.00 0.00 C ATOM 237 C MET A 19 -3.643 -9.126 -8.810 1.00 0.00 C ATOM 238 O MET A 19 -3.521 -10.040 -9.624 1.00 0.00 O ATOM 239 CB MET A 19 -2.362 -7.024 -8.362 1.00 0.00 C ATOM 240 CG MET A 19 -1.543 -5.974 -9.095 1.00 0.00 C ATOM 241 SD MET A 19 -0.082 -5.461 -8.171 1.00 0.00 S ATOM 242 CE MET A 19 -0.801 -5.116 -6.567 1.00 0.00 C ATOM 0 H MET A 19 -4.730 -6.277 -8.344 1.00 0.00 H new ATOM 0 HA MET A 19 -3.118 -7.658 -10.271 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.834 -6.564 -7.494 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.693 -7.799 -7.988 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.235 -6.370 -10.063 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.168 -5.103 -9.291 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.109 -4.513 -5.980 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.736 -4.572 -6.697 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.996 -6.054 -6.047 1.00 0.00 H new ATOM 252 N GLY A 20 -3.952 -9.331 -7.533 1.00 0.00 N ATOM 253 CA GLY A 20 -4.164 -10.674 -7.027 1.00 0.00 C ATOM 254 C GLY A 20 -4.203 -10.724 -5.513 1.00 0.00 C ATOM 255 O GLY A 20 -3.712 -11.675 -4.903 1.00 0.00 O ATOM 0 H GLY A 20 -4.059 -8.590 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.101 -11.065 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.368 -11.325 -7.388 1.00 0.00 H new ATOM 259 N PHE A 21 -4.787 -9.698 -4.903 1.00 0.00 N ATOM 260 CA PHE A 21 -4.885 -9.627 -3.450 1.00 0.00 C ATOM 261 C PHE A 21 -6.218 -9.018 -3.024 1.00 0.00 C ATOM 262 O PHE A 21 -6.531 -7.878 -3.372 1.00 0.00 O ATOM 263 CB PHE A 21 -3.729 -8.804 -2.878 1.00 0.00 C ATOM 264 CG PHE A 21 -2.374 -9.354 -3.221 1.00 0.00 C ATOM 265 CD1 PHE A 21 -1.720 -8.951 -4.374 1.00 0.00 C ATOM 266 CD2 PHE A 21 -1.756 -10.275 -2.391 1.00 0.00 C ATOM 267 CE1 PHE A 21 -0.473 -9.457 -4.692 1.00 0.00 C ATOM 268 CE2 PHE A 21 -0.509 -10.784 -2.703 1.00 0.00 C ATOM 269 CZ PHE A 21 0.133 -10.373 -3.855 1.00 0.00 C ATOM 0 H PHE A 21 -5.200 -8.904 -5.393 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.827 -10.642 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.802 -7.782 -3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.829 -8.756 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.189 -8.234 -5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.254 -10.599 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.027 -9.136 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.038 -11.501 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.108 -10.768 -4.101 1.00 0.00 H new ATOM 279 N CYS A 22 -6.998 -9.784 -2.271 1.00 0.00 N ATOM 280 CA CYS A 22 -8.298 -9.321 -1.798 1.00 0.00 C ATOM 281 C CYS A 22 -8.152 -8.502 -0.520 1.00 0.00 C ATOM 282 O CYS A 22 -8.334 -7.284 -0.527 1.00 0.00 O ATOM 283 CB CYS A 22 -9.228 -10.511 -1.552 1.00 0.00 C ATOM 284 SG CYS A 22 -10.845 -10.057 -0.883 1.00 0.00 S ATOM 0 H CYS A 22 -6.753 -10.729 -1.974 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.731 -8.683 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.372 -11.046 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.742 -11.202 -0.863 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.560 -11.129 -0.711 1.00 0.00 H new ATOM 290 N ASP A 23 -7.823 -9.177 0.575 1.00 0.00 N ATOM 291 CA ASP A 23 -7.652 -8.512 1.862 1.00 0.00 C ATOM 292 C ASP A 23 -7.041 -7.126 1.680 1.00 0.00 C ATOM 293 O ASP A 23 -5.824 -6.985 1.556 1.00 0.00 O ATOM 294 CB ASP A 23 -6.770 -9.355 2.783 1.00 0.00 C ATOM 295 CG ASP A 23 -7.483 -10.590 3.298 1.00 0.00 C ATOM 296 OD1 ASP A 23 -8.339 -10.450 4.197 1.00 0.00 O ATOM 297 OD2 ASP A 23 -7.187 -11.696 2.801 1.00 0.00 O ATOM 0 H ASP A 23 -7.669 -10.185 0.598 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.635 -8.399 2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.871 -9.656 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.447 -8.747 3.628 1.00 0.00 H new ATOM 302 N ARG A 24 -7.894 -6.107 1.664 1.00 0.00 N ATOM 303 CA ARG A 24 -7.438 -4.732 1.495 1.00 0.00 C ATOM 304 C ARG A 24 -6.843 -4.193 2.793 1.00 0.00 C ATOM 305 O ARG A 24 -5.784 -3.567 2.788 1.00 0.00 O ATOM 306 CB ARG A 24 -8.595 -3.840 1.043 1.00 0.00 C ATOM 307 CG ARG A 24 -9.678 -3.666 2.095 1.00 0.00 C ATOM 308 CD ARG A 24 -10.977 -3.169 1.481 1.00 0.00 C ATOM 309 NE ARG A 24 -12.133 -3.485 2.316 1.00 0.00 N ATOM 310 CZ ARG A 24 -13.381 -3.518 1.862 1.00 0.00 C ATOM 311 NH1 ARG A 24 -13.632 -3.255 0.587 1.00 0.00 N ATOM 312 NH2 ARG A 24 -14.380 -3.814 2.683 1.00 0.00 N ATOM 0 H ARG A 24 -8.904 -6.207 1.766 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.662 -4.725 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.202 -2.860 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.040 -4.265 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.853 -4.616 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.340 -2.960 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.919 -2.090 1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.108 -3.618 0.496 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.973 -3.692 3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.866 -3.027 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.591 -3.281 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.190 -4.017 3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.338 -3.839 2.333 1.00 0.00 H new ATOM 326 N GLN A 25 -7.534 -4.440 3.902 1.00 0.00 N ATOM 327 CA GLN A 25 -7.074 -3.978 5.206 1.00 0.00 C ATOM 328 C GLN A 25 -5.573 -4.195 5.363 1.00 0.00 C ATOM 329 O GLN A 25 -4.854 -3.315 5.838 1.00 0.00 O ATOM 330 CB GLN A 25 -7.826 -4.706 6.322 1.00 0.00 C ATOM 331 CG GLN A 25 -7.637 -6.214 6.299 1.00 0.00 C ATOM 332 CD GLN A 25 -8.438 -6.919 7.376 1.00 0.00 C ATOM 333 OE1 GLN A 25 -9.669 -6.920 7.351 1.00 0.00 O ATOM 334 NE2 GLN A 25 -7.742 -7.525 8.331 1.00 0.00 N ATOM 0 H GLN A 25 -8.413 -4.957 3.923 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.277 -2.909 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.492 -4.321 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.889 -4.480 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.931 -6.598 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.580 -6.446 6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.722 -7.499 8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.227 -8.016 9.082 1.00 0.00 H new ATOM 343 N LEU A 26 -5.105 -5.372 4.961 1.00 0.00 N ATOM 344 CA LEU A 26 -3.688 -5.705 5.057 1.00 0.00 C ATOM 345 C LEU A 26 -2.842 -4.720 4.256 1.00 0.00 C ATOM 346 O LEU A 26 -1.921 -4.103 4.788 1.00 0.00 O ATOM 347 CB LEU A 26 -3.444 -7.129 4.556 1.00 0.00 C ATOM 348 CG LEU A 26 -2.088 -7.742 4.910 1.00 0.00 C ATOM 349 CD1 LEU A 26 -2.110 -9.247 4.695 1.00 0.00 C ATOM 350 CD2 LEU A 26 -0.982 -7.100 4.086 1.00 0.00 C ATOM 0 H LEU A 26 -5.686 -6.111 4.566 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.395 -5.640 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.227 -7.773 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.551 -7.134 3.471 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.888 -7.549 5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.137 -9.666 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.876 -9.694 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.333 -9.462 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.024 -7.548 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.178 -7.262 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.951 -6.030 4.290 1.00 0.00 H new ATOM 362 N ASN A 27 -3.163 -4.578 2.974 1.00 0.00 N ATOM 363 CA ASN A 27 -2.433 -3.666 2.100 1.00 0.00 C ATOM 364 C ASN A 27 -2.188 -2.329 2.792 1.00 0.00 C ATOM 365 O ASN A 27 -1.044 -1.951 3.049 1.00 0.00 O ATOM 366 CB ASN A 27 -3.207 -3.446 0.799 1.00 0.00 C ATOM 367 CG ASN A 27 -3.665 -4.748 0.171 1.00 0.00 C ATOM 368 OD1 ASN A 27 -3.049 -5.796 0.368 1.00 0.00 O ATOM 369 ND2 ASN A 27 -4.752 -4.688 -0.590 1.00 0.00 N ATOM 0 H ASN A 27 -3.923 -5.082 2.517 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.468 -4.117 1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.075 -2.817 0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.577 -2.906 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.108 -5.532 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.231 -3.798 -0.726 1.00 0.00 H new ATOM 376 N LEU A 28 -3.269 -1.616 3.090 1.00 0.00 N ATOM 377 CA LEU A 28 -3.172 -0.320 3.753 1.00 0.00 C ATOM 378 C LEU A 28 -2.004 -0.296 4.733 1.00 0.00 C ATOM 379 O LEU A 28 -1.025 0.422 4.529 1.00 0.00 O ATOM 380 CB LEU A 28 -4.476 -0.003 4.487 1.00 0.00 C ATOM 381 CG LEU A 28 -5.534 0.752 3.682 1.00 0.00 C ATOM 382 CD1 LEU A 28 -6.830 0.857 4.470 1.00 0.00 C ATOM 383 CD2 LEU A 28 -5.027 2.134 3.298 1.00 0.00 C ATOM 0 H LEU A 28 -4.222 -1.913 2.883 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.997 0.439 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.912 -0.940 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.237 0.583 5.374 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.734 0.194 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.571 1.397 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.202 -0.143 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.647 1.392 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.793 2.657 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.798 2.701 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.126 2.036 2.693 1.00 0.00 H new ATOM 395 N ARG A 29 -2.113 -1.087 5.795 1.00 0.00 N ATOM 396 CA ARG A 29 -1.065 -1.156 6.806 1.00 0.00 C ATOM 397 C ARG A 29 0.317 -1.099 6.162 1.00 0.00 C ATOM 398 O ARG A 29 1.166 -0.300 6.559 1.00 0.00 O ATOM 399 CB ARG A 29 -1.204 -2.439 7.628 1.00 0.00 C ATOM 400 CG ARG A 29 -0.464 -2.396 8.955 1.00 0.00 C ATOM 401 CD ARG A 29 -0.131 -3.793 9.453 1.00 0.00 C ATOM 402 NE ARG A 29 0.155 -3.810 10.885 1.00 0.00 N ATOM 403 CZ ARG A 29 -0.767 -3.615 11.821 1.00 0.00 C ATOM 404 NH1 ARG A 29 -2.028 -3.389 11.478 1.00 0.00 N ATOM 405 NH2 ARG A 29 -0.429 -3.645 13.104 1.00 0.00 N ATOM 0 H ARG A 29 -2.916 -1.689 5.978 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.175 -0.296 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.261 -2.626 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.831 -3.279 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.455 -1.820 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.074 -1.880 9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.966 -4.462 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.731 -4.177 8.907 1.00 0.00 H new ATOM 0 HE ARG A 29 1.115 -3.981 11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.292 -3.365 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.734 -3.240 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.540 -3.818 13.372 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.138 -3.495 13.822 1.00 0.00 H new ATOM 419 N LEU A 30 0.536 -1.952 5.167 1.00 0.00 N ATOM 420 CA LEU A 30 1.815 -1.999 4.467 1.00 0.00 C ATOM 421 C LEU A 30 2.074 -0.696 3.718 1.00 0.00 C ATOM 422 O LEU A 30 3.195 -0.186 3.708 1.00 0.00 O ATOM 423 CB LEU A 30 1.841 -3.176 3.491 1.00 0.00 C ATOM 424 CG LEU A 30 1.959 -4.566 4.118 1.00 0.00 C ATOM 425 CD1 LEU A 30 1.561 -5.639 3.116 1.00 0.00 C ATOM 426 CD2 LEU A 30 3.374 -4.804 4.624 1.00 0.00 C ATOM 0 H LEU A 30 -0.155 -2.620 4.827 1.00 0.00 H new ATOM 0 HA LEU A 30 2.603 -2.133 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.931 -3.146 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.678 -3.036 2.806 1.00 0.00 H new ATOM 0 HG LEU A 30 1.277 -4.620 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.651 -6.621 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.529 -5.479 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.217 -5.586 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.440 -5.798 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.075 -4.730 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.623 -4.055 5.376 1.00 0.00 H new ATOM 438 N LEU A 31 1.031 -0.162 3.093 1.00 0.00 N ATOM 439 CA LEU A 31 1.145 1.084 2.342 1.00 0.00 C ATOM 440 C LEU A 31 1.546 2.236 3.257 1.00 0.00 C ATOM 441 O LEU A 31 2.657 2.759 3.164 1.00 0.00 O ATOM 442 CB LEU A 31 -0.180 1.407 1.647 1.00 0.00 C ATOM 443 CG LEU A 31 -0.749 0.311 0.745 1.00 0.00 C ATOM 444 CD1 LEU A 31 -2.093 0.735 0.173 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.229 -0.020 -0.373 1.00 0.00 C ATOM 0 H LEU A 31 0.097 -0.572 3.091 1.00 0.00 H new ATOM 0 HA LEU A 31 1.922 0.955 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.921 1.642 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.043 2.308 1.049 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.900 -0.586 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.483 -0.057 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.793 0.921 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.968 1.646 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.192 -0.802 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.412 0.872 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.169 -0.368 0.057 1.00 0.00 H new ATOM 457 N LYS A 32 0.636 2.627 4.142 1.00 0.00 N ATOM 458 CA LYS A 32 0.895 3.715 5.077 1.00 0.00 C ATOM 459 C LYS A 32 2.180 3.466 5.859 1.00 0.00 C ATOM 460 O LYS A 32 2.724 4.376 6.487 1.00 0.00 O ATOM 461 CB LYS A 32 -0.280 3.874 6.045 1.00 0.00 C ATOM 462 CG LYS A 32 -1.621 4.045 5.351 1.00 0.00 C ATOM 463 CD LYS A 32 -2.777 3.769 6.297 1.00 0.00 C ATOM 464 CE LYS A 32 -4.069 4.397 5.797 1.00 0.00 C ATOM 465 NZ LYS A 32 -4.104 5.865 6.043 1.00 0.00 N ATOM 0 H LYS A 32 -0.289 2.206 4.231 1.00 0.00 H new ATOM 0 HA LYS A 32 1.012 4.634 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.325 3.000 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.099 4.738 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.703 5.059 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.679 3.370 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.912 2.693 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.540 4.160 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.177 4.205 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.918 3.925 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.039 6.239 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.925 6.053 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.372 6.331 5.469 1.00 0.00 H new ATOM 479 N LYS A 33 2.664 2.230 5.816 1.00 0.00 N ATOM 480 CA LYS A 33 3.888 1.861 6.517 1.00 0.00 C ATOM 481 C LYS A 33 5.076 1.834 5.561 1.00 0.00 C ATOM 482 O LYS A 33 6.221 2.025 5.973 1.00 0.00 O ATOM 483 CB LYS A 33 3.725 0.493 7.184 1.00 0.00 C ATOM 484 CG LYS A 33 4.959 0.036 7.944 1.00 0.00 C ATOM 485 CD LYS A 33 5.891 -0.774 7.059 1.00 0.00 C ATOM 486 CE LYS A 33 7.111 -1.256 7.828 1.00 0.00 C ATOM 487 NZ LYS A 33 8.231 -0.276 7.763 1.00 0.00 N ATOM 0 H LYS A 33 2.226 1.465 5.302 1.00 0.00 H new ATOM 0 HA LYS A 33 4.079 2.612 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.879 0.531 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.483 -0.247 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.490 0.905 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.657 -0.565 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.354 -1.631 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.210 -0.166 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.839 -1.428 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.441 -2.212 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.044 -0.641 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.508 -0.131 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.924 0.629 8.173 1.00 0.00 H new ATOM 501 N HIS A 34 4.796 1.598 4.283 1.00 0.00 N ATOM 502 CA HIS A 34 5.843 1.549 3.268 1.00 0.00 C ATOM 503 C HIS A 34 5.644 2.649 2.230 1.00 0.00 C ATOM 504 O HIS A 34 5.829 2.428 1.034 1.00 0.00 O ATOM 505 CB HIS A 34 5.855 0.182 2.584 1.00 0.00 C ATOM 506 CG HIS A 34 6.148 -0.952 3.517 1.00 0.00 C ATOM 507 ND1 HIS A 34 7.383 -1.148 4.099 1.00 0.00 N ATOM 508 CD2 HIS A 34 5.358 -1.953 3.970 1.00 0.00 C ATOM 509 CE1 HIS A 34 7.339 -2.221 4.869 1.00 0.00 C ATOM 510 NE2 HIS A 34 6.121 -2.728 4.808 1.00 0.00 N ATOM 0 H HIS A 34 3.854 1.438 3.926 1.00 0.00 H new ATOM 0 HA HIS A 34 6.802 1.708 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.887 0.013 2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.600 0.189 1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.320 -2.113 3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.160 -2.616 5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.799 -3.560 5.303 1.00 0.00 H new ATOM 519 N ASN A 35 5.266 3.835 2.696 1.00 0.00 N ATOM 520 CA ASN A 35 5.041 4.969 1.807 1.00 0.00 C ATOM 521 C ASN A 35 4.306 4.533 0.543 1.00 0.00 C ATOM 522 O ASN A 35 4.758 4.794 -0.572 1.00 0.00 O ATOM 523 CB ASN A 35 6.373 5.625 1.435 1.00 0.00 C ATOM 524 CG ASN A 35 7.375 4.627 0.886 1.00 0.00 C ATOM 525 OD1 ASN A 35 7.963 3.846 1.635 1.00 0.00 O ATOM 526 ND2 ASN A 35 7.573 4.648 -0.426 1.00 0.00 N ATOM 0 H ASN A 35 5.109 4.036 3.684 1.00 0.00 H new ATOM 0 HA ASN A 35 4.421 5.694 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.197 6.404 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.794 6.112 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.235 3.999 -0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.063 5.313 -1.008 1.00 0.00 H new ATOM 533 N TYR A 36 3.171 3.868 0.726 1.00 0.00 N ATOM 534 CA TYR A 36 2.373 3.393 -0.398 1.00 0.00 C ATOM 535 C TYR A 36 3.267 2.980 -1.564 1.00 0.00 C ATOM 536 O TYR A 36 2.988 3.300 -2.718 1.00 0.00 O ATOM 537 CB TYR A 36 1.395 4.479 -0.851 1.00 0.00 C ATOM 538 CG TYR A 36 0.562 5.051 0.274 1.00 0.00 C ATOM 539 CD1 TYR A 36 1.101 5.971 1.164 1.00 0.00 C ATOM 540 CD2 TYR A 36 -0.763 4.670 0.446 1.00 0.00 C ATOM 541 CE1 TYR A 36 0.344 6.496 2.194 1.00 0.00 C ATOM 542 CE2 TYR A 36 -1.528 5.191 1.472 1.00 0.00 C ATOM 543 CZ TYR A 36 -0.970 6.103 2.343 1.00 0.00 C ATOM 544 OH TYR A 36 -1.728 6.623 3.367 1.00 0.00 O ATOM 0 H TYR A 36 2.783 3.646 1.643 1.00 0.00 H new ATOM 0 HA TYR A 36 1.809 2.520 -0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.955 5.286 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.731 4.065 -1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.129 6.281 1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.202 3.955 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.778 7.210 2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.557 4.886 1.591 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.631 6.244 3.331 1.00 0.00 H new ATOM 554 N ASN A 37 4.342 2.264 -1.251 1.00 0.00 N ATOM 555 CA ASN A 37 5.278 1.806 -2.271 1.00 0.00 C ATOM 556 C ASN A 37 4.845 0.458 -2.840 1.00 0.00 C ATOM 557 O ASN A 37 5.423 -0.580 -2.512 1.00 0.00 O ATOM 558 CB ASN A 37 6.688 1.697 -1.688 1.00 0.00 C ATOM 559 CG ASN A 37 6.780 0.657 -0.587 1.00 0.00 C ATOM 560 OD1 ASN A 37 5.782 0.036 -0.221 1.00 0.00 O ATOM 561 ND2 ASN A 37 7.981 0.464 -0.055 1.00 0.00 N ATOM 0 H ASN A 37 4.586 1.989 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 37 5.282 2.537 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.388 1.443 -2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.991 2.667 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.105 -0.222 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.780 1.002 -0.390 1.00 0.00 H new ATOM 568 N ILE A 38 3.827 0.481 -3.693 1.00 0.00 N ATOM 569 CA ILE A 38 3.318 -0.739 -4.308 1.00 0.00 C ATOM 570 C ILE A 38 4.442 -1.738 -4.559 1.00 0.00 C ATOM 571 O ILE A 38 4.271 -2.943 -4.370 1.00 0.00 O ATOM 572 CB ILE A 38 2.603 -0.442 -5.639 1.00 0.00 C ATOM 573 CG1 ILE A 38 1.797 -1.661 -6.093 1.00 0.00 C ATOM 574 CG2 ILE A 38 3.612 -0.040 -6.704 1.00 0.00 C ATOM 575 CD1 ILE A 38 0.470 -1.808 -5.382 1.00 0.00 C ATOM 0 H ILE A 38 3.338 1.331 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 38 2.602 -1.170 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 38 1.914 0.389 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.619 -1.589 -7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.390 -2.560 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.091 0.167 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.146 0.854 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.323 -0.852 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.046 -2.693 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.641 -1.912 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.142 -0.926 -5.568 1.00 0.00 H new ATOM 587 N LEU A 39 5.593 -1.230 -4.985 1.00 0.00 N ATOM 588 CA LEU A 39 6.748 -2.077 -5.261 1.00 0.00 C ATOM 589 C LEU A 39 6.972 -3.078 -4.131 1.00 0.00 C ATOM 590 O LEU A 39 6.847 -4.286 -4.327 1.00 0.00 O ATOM 591 CB LEU A 39 8.000 -1.220 -5.454 1.00 0.00 C ATOM 592 CG LEU A 39 8.146 -0.542 -6.817 1.00 0.00 C ATOM 593 CD1 LEU A 39 8.868 -1.457 -7.794 1.00 0.00 C ATOM 594 CD2 LEU A 39 6.783 -0.145 -7.363 1.00 0.00 C ATOM 0 H LEU A 39 5.751 -0.235 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 39 6.550 -2.631 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.010 -0.449 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.875 -1.848 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 39 8.742 0.362 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.963 -0.958 -8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.860 -1.691 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.300 -2.379 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.906 0.336 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.163 -1.034 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.302 0.548 -6.673 1.00 0.00 H new ATOM 606 N GLN A 40 7.300 -2.564 -2.950 1.00 0.00 N ATOM 607 CA GLN A 40 7.540 -3.413 -1.789 1.00 0.00 C ATOM 608 C GLN A 40 6.253 -4.101 -1.343 1.00 0.00 C ATOM 609 O GLN A 40 6.162 -5.329 -1.340 1.00 0.00 O ATOM 610 CB GLN A 40 8.116 -2.588 -0.638 1.00 0.00 C ATOM 611 CG GLN A 40 9.569 -2.190 -0.842 1.00 0.00 C ATOM 612 CD GLN A 40 10.536 -3.296 -0.468 1.00 0.00 C ATOM 613 OE1 GLN A 40 10.385 -4.440 -0.898 1.00 0.00 O ATOM 614 NE2 GLN A 40 11.536 -2.961 0.339 1.00 0.00 N ATOM 0 H GLN A 40 7.406 -1.565 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 40 8.261 -4.179 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.516 -1.687 -0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.031 -3.160 0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.723 -1.915 -1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.787 -1.305 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.623 -2.001 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.217 -3.664 0.626 1.00 0.00 H new ATOM 623 N VAL A 41 5.261 -3.301 -0.966 1.00 0.00 N ATOM 624 CA VAL A 41 3.979 -3.833 -0.518 1.00 0.00 C ATOM 625 C VAL A 41 3.586 -5.068 -1.320 1.00 0.00 C ATOM 626 O VAL A 41 2.969 -5.994 -0.793 1.00 0.00 O ATOM 627 CB VAL A 41 2.862 -2.779 -0.639 1.00 0.00 C ATOM 628 CG1 VAL A 41 1.523 -3.370 -0.222 1.00 0.00 C ATOM 629 CG2 VAL A 41 3.195 -1.552 0.196 1.00 0.00 C ATOM 0 H VAL A 41 5.320 -2.283 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 41 4.098 -4.107 0.530 1.00 0.00 H new ATOM 0 HB VAL A 41 2.788 -2.471 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.746 -2.611 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.282 -4.216 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.581 -3.707 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.395 -0.818 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.297 -1.841 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.131 -1.117 -0.154 1.00 0.00 H new ATOM 639 N VAL A 42 3.948 -5.076 -2.600 1.00 0.00 N ATOM 640 CA VAL A 42 3.635 -6.199 -3.475 1.00 0.00 C ATOM 641 C VAL A 42 4.666 -7.313 -3.331 1.00 0.00 C ATOM 642 O VAL A 42 4.333 -8.440 -2.964 1.00 0.00 O ATOM 643 CB VAL A 42 3.572 -5.760 -4.950 1.00 0.00 C ATOM 644 CG1 VAL A 42 3.616 -6.970 -5.870 1.00 0.00 C ATOM 645 CG2 VAL A 42 2.323 -4.931 -5.206 1.00 0.00 C ATOM 0 H VAL A 42 4.458 -4.318 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 42 2.657 -6.573 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 42 4.442 -5.140 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.570 -6.640 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.543 -7.520 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.766 -7.619 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.295 -4.629 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.439 -5.525 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.339 -4.044 -4.573 1.00 0.00 H new ATOM 655 N THR A 43 5.923 -6.990 -3.623 1.00 0.00 N ATOM 656 CA THR A 43 7.004 -7.962 -3.527 1.00 0.00 C ATOM 657 C THR A 43 6.919 -8.752 -2.226 1.00 0.00 C ATOM 658 O THR A 43 7.190 -9.952 -2.200 1.00 0.00 O ATOM 659 CB THR A 43 8.382 -7.280 -3.610 1.00 0.00 C ATOM 660 OG1 THR A 43 8.516 -6.597 -4.862 1.00 0.00 O ATOM 661 CG2 THR A 43 9.501 -8.300 -3.462 1.00 0.00 C ATOM 0 H THR A 43 6.216 -6.062 -3.928 1.00 0.00 H new ATOM 0 HA THR A 43 6.892 -8.643 -4.371 1.00 0.00 H new ATOM 0 HB THR A 43 8.456 -6.561 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.979 -5.777 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.465 -7.794 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.414 -8.798 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.427 -9.039 -4.260 1.00 0.00 H new ATOM 669 N GLU A 44 6.539 -8.072 -1.149 1.00 0.00 N ATOM 670 CA GLU A 44 6.418 -8.712 0.155 1.00 0.00 C ATOM 671 C GLU A 44 5.229 -9.669 0.184 1.00 0.00 C ATOM 672 O GLU A 44 5.381 -10.857 0.471 1.00 0.00 O ATOM 673 CB GLU A 44 6.264 -7.658 1.253 1.00 0.00 C ATOM 674 CG GLU A 44 5.818 -8.230 2.588 1.00 0.00 C ATOM 675 CD GLU A 44 6.337 -7.432 3.768 1.00 0.00 C ATOM 676 OE1 GLU A 44 7.459 -6.891 3.670 1.00 0.00 O ATOM 677 OE2 GLU A 44 5.624 -7.350 4.790 1.00 0.00 O ATOM 0 H GLU A 44 6.310 -7.078 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 44 7.328 -9.284 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.216 -7.144 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.541 -6.910 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.729 -8.255 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.164 -9.260 2.671 1.00 0.00 H new ATOM 684 N LEU A 45 4.047 -9.143 -0.115 1.00 0.00 N ATOM 685 CA LEU A 45 2.831 -9.949 -0.124 1.00 0.00 C ATOM 686 C LEU A 45 3.078 -11.300 -0.788 1.00 0.00 C ATOM 687 O LEU A 45 2.802 -12.349 -0.206 1.00 0.00 O ATOM 688 CB LEU A 45 1.709 -9.207 -0.852 1.00 0.00 C ATOM 689 CG LEU A 45 1.099 -8.017 -0.110 1.00 0.00 C ATOM 690 CD1 LEU A 45 0.447 -7.054 -1.090 1.00 0.00 C ATOM 691 CD2 LEU A 45 0.089 -8.494 0.924 1.00 0.00 C ATOM 0 H LEU A 45 3.904 -8.162 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 45 2.532 -10.123 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.095 -8.854 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.913 -9.919 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 45 1.899 -7.489 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.018 -6.214 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.196 -6.687 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.341 -7.571 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.335 -7.634 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.708 -9.047 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.585 -9.144 1.645 1.00 0.00 H new ATOM 703 N LEU A 46 3.600 -11.266 -2.009 1.00 0.00 N ATOM 704 CA LEU A 46 3.887 -12.488 -2.752 1.00 0.00 C ATOM 705 C LEU A 46 4.637 -13.491 -1.882 1.00 0.00 C ATOM 706 O LEU A 46 4.296 -14.673 -1.848 1.00 0.00 O ATOM 707 CB LEU A 46 4.708 -12.167 -4.003 1.00 0.00 C ATOM 708 CG LEU A 46 4.056 -11.217 -5.008 1.00 0.00 C ATOM 709 CD1 LEU A 46 5.114 -10.531 -5.858 1.00 0.00 C ATOM 710 CD2 LEU A 46 3.066 -11.967 -5.887 1.00 0.00 C ATOM 0 H LEU A 46 3.833 -10.406 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 46 2.938 -12.933 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.658 -11.735 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.936 -13.103 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 46 3.512 -10.452 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.631 -9.859 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.783 -9.960 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.687 -11.282 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.612 -11.275 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.587 -12.754 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.289 -12.410 -5.264 1.00 0.00 H new ATOM 722 N GLN A 47 5.657 -13.011 -1.179 1.00 0.00 N ATOM 723 CA GLN A 47 6.453 -13.867 -0.307 1.00 0.00 C ATOM 724 C GLN A 47 5.605 -14.424 0.832 1.00 0.00 C ATOM 725 O GLN A 47 5.927 -15.464 1.408 1.00 0.00 O ATOM 726 CB GLN A 47 7.642 -13.088 0.260 1.00 0.00 C ATOM 727 CG GLN A 47 8.771 -12.889 -0.739 1.00 0.00 C ATOM 728 CD GLN A 47 9.649 -11.701 -0.397 1.00 0.00 C ATOM 729 OE1 GLN A 47 9.175 -10.695 0.132 1.00 0.00 O ATOM 730 NE2 GLN A 47 10.938 -11.812 -0.698 1.00 0.00 N ATOM 0 H GLN A 47 5.952 -12.035 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 47 6.824 -14.702 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.296 -12.113 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.028 -13.615 1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.383 -13.790 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.350 -12.750 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.288 -12.664 -1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.578 -11.045 -0.491 1.00 0.00 H new ATOM 739 N LEU A 48 4.522 -13.725 1.152 1.00 0.00 N ATOM 740 CA LEU A 48 3.627 -14.150 2.223 1.00 0.00 C ATOM 741 C LEU A 48 2.496 -15.015 1.676 1.00 0.00 C ATOM 742 O LEU A 48 1.330 -14.822 2.022 1.00 0.00 O ATOM 743 CB LEU A 48 3.049 -12.931 2.944 1.00 0.00 C ATOM 744 CG LEU A 48 4.059 -11.875 3.393 1.00 0.00 C ATOM 745 CD1 LEU A 48 3.400 -10.507 3.476 1.00 0.00 C ATOM 746 CD2 LEU A 48 4.671 -12.257 4.733 1.00 0.00 C ATOM 0 H LEU A 48 4.242 -12.862 0.686 1.00 0.00 H new ATOM 0 HA LEU A 48 4.204 -14.744 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.324 -12.454 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.502 -13.278 3.821 1.00 0.00 H new ATOM 0 HG LEU A 48 4.858 -11.826 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.134 -9.768 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.012 -10.230 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.581 -10.541 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.387 -11.494 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.884 -12.335 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.180 -13.216 4.640 1.00 0.00 H new ATOM 758 N SER A 49 2.849 -15.971 0.823 1.00 0.00 N ATOM 759 CA SER A 49 1.863 -16.866 0.227 1.00 0.00 C ATOM 760 C SER A 49 2.544 -18.056 -0.442 1.00 0.00 C ATOM 761 O SER A 49 3.653 -17.939 -0.962 1.00 0.00 O ATOM 762 CB SER A 49 1.010 -16.111 -0.795 1.00 0.00 C ATOM 763 OG SER A 49 -0.132 -15.538 -0.182 1.00 0.00 O ATOM 0 H SER A 49 3.810 -16.146 0.529 1.00 0.00 H new ATOM 0 HA SER A 49 1.219 -17.239 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.606 -15.328 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.698 -16.792 -1.587 1.00 0.00 H new ATOM 0 HG SER A 49 0.115 -15.175 0.694 1.00 0.00 H new ATOM 769 N GLY A 50 1.871 -19.202 -0.423 1.00 0.00 N ATOM 770 CA GLY A 50 2.425 -20.398 -1.030 1.00 0.00 C ATOM 771 C GLY A 50 2.109 -21.651 -0.237 1.00 0.00 C ATOM 772 O GLY A 50 1.392 -22.539 -0.699 1.00 0.00 O ATOM 0 H GLY A 50 0.952 -19.324 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.033 -20.503 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.506 -20.290 -1.117 1.00 0.00 H new ATOM 776 N PRO A 51 2.652 -21.735 0.986 1.00 0.00 N ATOM 777 CA PRO A 51 2.438 -22.885 1.870 1.00 0.00 C ATOM 778 C PRO A 51 1.008 -22.955 2.394 1.00 0.00 C ATOM 779 O PRO A 51 0.437 -24.038 2.524 1.00 0.00 O ATOM 780 CB PRO A 51 3.417 -22.635 3.020 1.00 0.00 C ATOM 781 CG PRO A 51 3.617 -21.159 3.034 1.00 0.00 C ATOM 782 CD PRO A 51 3.517 -20.714 1.601 1.00 0.00 C ATOM 0 HA PRO A 51 2.598 -23.831 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.012 -22.989 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.358 -23.160 2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.862 -20.669 3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.588 -20.901 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.083 -19.717 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.496 -20.676 1.123 1.00 0.00 H new ATOM 790 N SER A 52 0.434 -21.794 2.692 1.00 0.00 N ATOM 791 CA SER A 52 -0.929 -21.725 3.205 1.00 0.00 C ATOM 792 C SER A 52 -1.826 -22.740 2.503 1.00 0.00 C ATOM 793 O SER A 52 -2.476 -23.562 3.149 1.00 0.00 O ATOM 794 CB SER A 52 -1.495 -20.315 3.021 1.00 0.00 C ATOM 795 OG SER A 52 -1.113 -19.469 4.092 1.00 0.00 O ATOM 0 H SER A 52 0.892 -20.888 2.587 1.00 0.00 H new ATOM 0 HA SER A 52 -0.903 -21.963 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.140 -19.897 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.582 -20.361 2.960 1.00 0.00 H new ATOM 0 HG SER A 52 -1.485 -18.574 3.950 1.00 0.00 H new ATOM 801 N SER A 53 -1.855 -22.677 1.176 1.00 0.00 N ATOM 802 CA SER A 53 -2.674 -23.587 0.385 1.00 0.00 C ATOM 803 C SER A 53 -2.537 -25.020 0.890 1.00 0.00 C ATOM 804 O SER A 53 -1.533 -25.686 0.639 1.00 0.00 O ATOM 805 CB SER A 53 -2.276 -23.515 -1.091 1.00 0.00 C ATOM 806 OG SER A 53 -2.320 -22.180 -1.566 1.00 0.00 O ATOM 0 H SER A 53 -1.320 -22.005 0.626 1.00 0.00 H new ATOM 0 HA SER A 53 -3.715 -23.281 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.271 -23.917 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.947 -24.137 -1.683 1.00 0.00 H new ATOM 0 HG SER A 53 -2.060 -22.160 -2.511 1.00 0.00 H new ATOM 812 N GLY A 54 -3.555 -25.489 1.605 1.00 0.00 N ATOM 813 CA GLY A 54 -3.529 -26.840 2.136 1.00 0.00 C ATOM 814 C GLY A 54 -3.219 -27.875 1.072 1.00 0.00 C ATOM 815 O GLY A 54 -2.276 -28.654 1.211 1.00 0.00 O ATOM 0 H GLY A 54 -4.397 -24.958 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.782 -26.902 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.494 -27.067 2.590 1.00 0.00 H new TER 819 GLY A 54