USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 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 9 THR OG1 : rot -46:sc= 0.4 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -114:sc= 0.0144 (180deg=0) USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0.0117 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.208 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.6!) USER MOD Single : A 13 MET CE :methyl 157:sc= -1.52 (180deg=-3.56!) USER MOD Single : A 15 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.6) USER MOD Single : A 19 MET CE :methyl -130:sc= -4.05! (180deg=-7.33!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.5!) USER MOD Single : A 27 ASN : amide:sc= -4.22! X(o=-4.2!,f=-4.6) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc=-0.000465 (180deg=-0.0888) USER MOD Single : A 34 HIS : no HD1:sc= -3.96! C(o=-4!,f=-3.6!) USER MOD Single : A 35 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3!) USER MOD Single : A 37 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.6!) USER MOD Single : A 40 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 49 SER OG : rot 180:sc= 0 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 -10.994 18.380 8.127 1.00 0.00 N ATOM 2 CA GLY A 1 -10.467 17.991 6.831 1.00 0.00 C ATOM 3 C GLY A 1 -10.261 16.494 6.715 1.00 0.00 C ATOM 4 O GLY A 1 -9.307 15.947 7.267 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.117 19.412 8.156 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.913 17.917 8.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.330 18.089 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.151 18.322 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.518 18.500 6.660 1.00 0.00 H new ATOM 8 N SER A 2 -11.159 15.829 5.995 1.00 0.00 N ATOM 9 CA SER A 2 -11.075 14.385 5.812 1.00 0.00 C ATOM 10 C SER A 2 -9.625 13.943 5.639 1.00 0.00 C ATOM 11 O SER A 2 -8.852 14.578 4.922 1.00 0.00 O ATOM 12 CB SER A 2 -11.899 13.954 4.597 1.00 0.00 C ATOM 13 OG SER A 2 -12.008 12.543 4.529 1.00 0.00 O ATOM 0 H SER A 2 -11.953 16.268 5.529 1.00 0.00 H new ATOM 0 HA SER A 2 -11.479 13.907 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.894 14.396 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.433 14.330 3.686 1.00 0.00 H new ATOM 0 HG SER A 2 -12.540 12.293 3.745 1.00 0.00 H new ATOM 19 N SER A 3 -9.263 12.850 6.303 1.00 0.00 N ATOM 20 CA SER A 3 -7.905 12.324 6.227 1.00 0.00 C ATOM 21 C SER A 3 -7.813 11.204 5.194 1.00 0.00 C ATOM 22 O SER A 3 -6.838 11.109 4.450 1.00 0.00 O ATOM 23 CB SER A 3 -7.458 11.808 7.596 1.00 0.00 C ATOM 24 OG SER A 3 -8.328 10.795 8.069 1.00 0.00 O ATOM 0 H SER A 3 -9.891 12.311 6.900 1.00 0.00 H new ATOM 0 HA SER A 3 -7.245 13.135 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.443 11.417 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.434 12.633 8.309 1.00 0.00 H new ATOM 0 HG SER A 3 -8.019 10.481 8.945 1.00 0.00 H new ATOM 30 N GLY A 4 -8.838 10.358 5.156 1.00 0.00 N ATOM 31 CA GLY A 4 -8.854 9.255 4.212 1.00 0.00 C ATOM 32 C GLY A 4 -8.531 9.697 2.799 1.00 0.00 C ATOM 33 O GLY A 4 -7.628 9.153 2.162 1.00 0.00 O ATOM 0 H GLY A 4 -9.657 10.416 5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.133 8.501 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.836 8.783 4.226 1.00 0.00 H new ATOM 37 N SER A 5 -9.270 10.685 2.305 1.00 0.00 N ATOM 38 CA SER A 5 -9.061 11.196 0.956 1.00 0.00 C ATOM 39 C SER A 5 -7.604 11.596 0.746 1.00 0.00 C ATOM 40 O SER A 5 -6.965 11.175 -0.218 1.00 0.00 O ATOM 41 CB SER A 5 -9.973 12.396 0.695 1.00 0.00 C ATOM 42 OG SER A 5 -9.619 13.495 1.516 1.00 0.00 O ATOM 0 H SER A 5 -10.019 11.148 2.819 1.00 0.00 H new ATOM 0 HA SER A 5 -9.307 10.401 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.907 12.686 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.010 12.116 0.884 1.00 0.00 H new ATOM 0 HG SER A 5 -10.216 14.249 1.328 1.00 0.00 H new ATOM 48 N SER A 6 -7.084 12.413 1.657 1.00 0.00 N ATOM 49 CA SER A 6 -5.703 12.874 1.572 1.00 0.00 C ATOM 50 C SER A 6 -4.769 11.727 1.198 1.00 0.00 C ATOM 51 O SER A 6 -4.757 10.684 1.851 1.00 0.00 O ATOM 52 CB SER A 6 -5.266 13.491 2.902 1.00 0.00 C ATOM 53 OG SER A 6 -5.796 14.796 3.058 1.00 0.00 O ATOM 0 H SER A 6 -7.598 12.769 2.462 1.00 0.00 H new ATOM 0 HA SER A 6 -5.647 13.633 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.598 12.859 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.178 13.529 2.948 1.00 0.00 H new ATOM 0 HG SER A 6 -5.503 15.167 3.916 1.00 0.00 H new ATOM 59 N GLY A 7 -3.988 11.928 0.141 1.00 0.00 N ATOM 60 CA GLY A 7 -3.061 10.902 -0.302 1.00 0.00 C ATOM 61 C GLY A 7 -3.602 10.097 -1.466 1.00 0.00 C ATOM 62 O GLY A 7 -4.723 10.326 -1.920 1.00 0.00 O ATOM 0 H GLY A 7 -3.980 12.782 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.120 11.368 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.841 10.231 0.529 1.00 0.00 H new ATOM 66 N GLN A 8 -2.803 9.152 -1.952 1.00 0.00 N ATOM 67 CA GLN A 8 -3.208 8.312 -3.072 1.00 0.00 C ATOM 68 C GLN A 8 -3.541 6.900 -2.602 1.00 0.00 C ATOM 69 O GLN A 8 -3.174 5.916 -3.245 1.00 0.00 O ATOM 70 CB GLN A 8 -2.101 8.263 -4.127 1.00 0.00 C ATOM 71 CG GLN A 8 -0.838 7.563 -3.651 1.00 0.00 C ATOM 72 CD GLN A 8 0.373 7.905 -4.496 1.00 0.00 C ATOM 73 OE1 GLN A 8 0.290 8.714 -5.421 1.00 0.00 O ATOM 74 NE2 GLN A 8 1.507 7.290 -4.183 1.00 0.00 N ATOM 0 H GLN A 8 -1.872 8.949 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.103 8.748 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.477 7.752 -5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.851 9.281 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.643 7.839 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.996 6.485 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.531 6.627 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.355 7.481 -4.717 1.00 0.00 H new ATOM 83 N THR A 9 -4.238 6.806 -1.473 1.00 0.00 N ATOM 84 CA THR A 9 -4.619 5.515 -0.915 1.00 0.00 C ATOM 85 C THR A 9 -5.467 4.719 -1.900 1.00 0.00 C ATOM 86 O THR A 9 -5.085 3.628 -2.323 1.00 0.00 O ATOM 87 CB THR A 9 -5.401 5.681 0.401 1.00 0.00 C ATOM 88 OG1 THR A 9 -4.648 6.479 1.322 1.00 0.00 O ATOM 89 CG2 THR A 9 -5.703 4.327 1.026 1.00 0.00 C ATOM 0 H THR A 9 -4.550 7.610 -0.928 1.00 0.00 H new ATOM 0 HA THR A 9 -3.695 4.972 -0.714 1.00 0.00 H new ATOM 0 HB THR A 9 -6.344 6.179 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.717 6.173 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.256 4.470 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.301 3.733 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.769 3.807 1.237 1.00 0.00 H new ATOM 97 N ALA A 10 -6.620 5.271 -2.262 1.00 0.00 N ATOM 98 CA ALA A 10 -7.521 4.613 -3.200 1.00 0.00 C ATOM 99 C ALA A 10 -6.755 4.037 -4.385 1.00 0.00 C ATOM 100 O ALA A 10 -6.969 2.890 -4.776 1.00 0.00 O ATOM 101 CB ALA A 10 -8.586 5.588 -3.682 1.00 0.00 C ATOM 0 H ALA A 10 -6.952 6.173 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.007 3.788 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.252 5.083 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.162 5.949 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.108 6.432 -4.180 1.00 0.00 H new ATOM 107 N ALA A 11 -5.861 4.840 -4.953 1.00 0.00 N ATOM 108 CA ALA A 11 -5.062 4.408 -6.093 1.00 0.00 C ATOM 109 C ALA A 11 -4.559 2.981 -5.902 1.00 0.00 C ATOM 110 O ALA A 11 -4.999 2.059 -6.590 1.00 0.00 O ATOM 111 CB ALA A 11 -3.892 5.357 -6.308 1.00 0.00 C ATOM 0 H ALA A 11 -5.672 5.793 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.698 4.426 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.304 5.022 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.269 6.362 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.264 5.368 -5.417 1.00 0.00 H new ATOM 117 N LEU A 12 -3.634 2.805 -4.965 1.00 0.00 N ATOM 118 CA LEU A 12 -3.070 1.490 -4.684 1.00 0.00 C ATOM 119 C LEU A 12 -4.169 0.487 -4.348 1.00 0.00 C ATOM 120 O LEU A 12 -4.176 -0.634 -4.857 1.00 0.00 O ATOM 121 CB LEU A 12 -2.073 1.577 -3.527 1.00 0.00 C ATOM 122 CG LEU A 12 -0.758 2.297 -3.827 1.00 0.00 C ATOM 123 CD1 LEU A 12 -0.001 1.586 -4.937 1.00 0.00 C ATOM 124 CD2 LEU A 12 -1.018 3.749 -4.202 1.00 0.00 C ATOM 0 H LEU A 12 -3.259 3.557 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.550 1.146 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.559 2.083 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.842 0.565 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.143 2.279 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.932 2.113 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.218 0.563 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.610 1.571 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.071 4.246 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.652 3.788 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.517 4.254 -3.375 1.00 0.00 H new ATOM 136 N MET A 13 -5.097 0.898 -3.491 1.00 0.00 N ATOM 137 CA MET A 13 -6.203 0.036 -3.091 1.00 0.00 C ATOM 138 C MET A 13 -6.765 -0.719 -4.291 1.00 0.00 C ATOM 139 O MET A 13 -7.355 -1.789 -4.142 1.00 0.00 O ATOM 140 CB MET A 13 -7.308 0.862 -2.430 1.00 0.00 C ATOM 141 CG MET A 13 -7.141 1.008 -0.926 1.00 0.00 C ATOM 142 SD MET A 13 -7.636 -0.474 -0.025 1.00 0.00 S ATOM 143 CE MET A 13 -6.084 -0.938 0.740 1.00 0.00 C ATOM 0 H MET A 13 -5.105 1.822 -3.060 1.00 0.00 H new ATOM 0 HA MET A 13 -5.823 -0.690 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.329 1.853 -2.883 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.272 0.396 -2.637 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.099 1.235 -0.700 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.734 1.854 -0.579 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.281 -1.552 1.619 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.483 -1.505 0.029 1.00 0.00 H new ATOM 0 HE3 MET A 13 -5.543 -0.040 1.038 1.00 0.00 H new ATOM 153 N ALA A 14 -6.578 -0.156 -5.480 1.00 0.00 N ATOM 154 CA ALA A 14 -7.065 -0.777 -6.705 1.00 0.00 C ATOM 155 C ALA A 14 -6.019 -1.714 -7.299 1.00 0.00 C ATOM 156 O ALA A 14 -6.307 -2.873 -7.599 1.00 0.00 O ATOM 157 CB ALA A 14 -7.459 0.288 -7.717 1.00 0.00 C ATOM 0 H ALA A 14 -6.092 0.730 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.946 -1.369 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.821 -0.191 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.247 0.914 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.592 0.905 -7.952 1.00 0.00 H new ATOM 163 N HIS A 15 -4.802 -1.204 -7.467 1.00 0.00 N ATOM 164 CA HIS A 15 -3.712 -1.995 -8.026 1.00 0.00 C ATOM 165 C HIS A 15 -3.734 -3.417 -7.473 1.00 0.00 C ATOM 166 O HIS A 15 -3.583 -4.386 -8.218 1.00 0.00 O ATOM 167 CB HIS A 15 -2.367 -1.337 -7.720 1.00 0.00 C ATOM 168 CG HIS A 15 -2.150 -0.049 -8.453 1.00 0.00 C ATOM 169 ND1 HIS A 15 -3.139 0.580 -9.178 1.00 0.00 N ATOM 170 CD2 HIS A 15 -1.048 0.729 -8.568 1.00 0.00 C ATOM 171 CE1 HIS A 15 -2.655 1.689 -9.710 1.00 0.00 C ATOM 172 NE2 HIS A 15 -1.388 1.803 -9.354 1.00 0.00 N ATOM 0 H HIS A 15 -4.547 -0.247 -7.224 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.847 -2.042 -9.107 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.298 -1.152 -6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.566 -2.031 -7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.082 0.540 -8.124 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.202 2.384 -10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.764 2.565 -9.620 1.00 0.00 H new ATOM 181 N LEU A 16 -3.922 -3.534 -6.163 1.00 0.00 N ATOM 182 CA LEU A 16 -3.962 -4.838 -5.509 1.00 0.00 C ATOM 183 C LEU A 16 -5.144 -5.661 -6.010 1.00 0.00 C ATOM 184 O LEU A 16 -4.968 -6.751 -6.555 1.00 0.00 O ATOM 185 CB LEU A 16 -4.051 -4.667 -3.992 1.00 0.00 C ATOM 186 CG LEU A 16 -2.762 -4.244 -3.287 1.00 0.00 C ATOM 187 CD1 LEU A 16 -1.635 -5.212 -3.610 1.00 0.00 C ATOM 188 CD2 LEU A 16 -2.378 -2.825 -3.682 1.00 0.00 C ATOM 0 H LEU A 16 -4.049 -2.742 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.043 -5.369 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.820 -3.926 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.385 -5.610 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.935 -4.266 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.726 -4.895 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.908 -6.213 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.462 -5.223 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.458 -2.541 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.224 -2.777 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.177 -2.140 -3.399 1.00 0.00 H new ATOM 200 N PHE A 17 -6.349 -5.132 -5.824 1.00 0.00 N ATOM 201 CA PHE A 17 -7.561 -5.817 -6.258 1.00 0.00 C ATOM 202 C PHE A 17 -7.431 -6.288 -7.704 1.00 0.00 C ATOM 203 O PHE A 17 -7.982 -7.321 -8.082 1.00 0.00 O ATOM 204 CB PHE A 17 -8.773 -4.894 -6.117 1.00 0.00 C ATOM 205 CG PHE A 17 -9.434 -4.974 -4.771 1.00 0.00 C ATOM 206 CD1 PHE A 17 -8.833 -4.415 -3.654 1.00 0.00 C ATOM 207 CD2 PHE A 17 -10.656 -5.609 -4.622 1.00 0.00 C ATOM 208 CE1 PHE A 17 -9.440 -4.488 -2.415 1.00 0.00 C ATOM 209 CE2 PHE A 17 -11.268 -5.686 -3.384 1.00 0.00 C ATOM 210 CZ PHE A 17 -10.659 -5.123 -2.280 1.00 0.00 C ATOM 0 H PHE A 17 -6.512 -4.231 -5.375 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.703 -6.690 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.460 -3.866 -6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.503 -5.145 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.880 -3.917 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.137 -6.049 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.961 -4.049 -1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.220 -6.185 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.135 -5.179 -1.312 1.00 0.00 H new ATOM 220 N GLU A 18 -6.699 -5.521 -8.506 1.00 0.00 N ATOM 221 CA GLU A 18 -6.498 -5.859 -9.910 1.00 0.00 C ATOM 222 C GLU A 18 -5.666 -7.131 -10.051 1.00 0.00 C ATOM 223 O GLU A 18 -6.142 -8.143 -10.562 1.00 0.00 O ATOM 224 CB GLU A 18 -5.813 -4.704 -10.643 1.00 0.00 C ATOM 225 CG GLU A 18 -6.727 -3.518 -10.901 1.00 0.00 C ATOM 226 CD GLU A 18 -8.071 -3.931 -11.469 1.00 0.00 C ATOM 227 OE1 GLU A 18 -8.114 -4.917 -12.234 1.00 0.00 O ATOM 228 OE2 GLU A 18 -9.080 -3.269 -11.149 1.00 0.00 O ATOM 0 H GLU A 18 -6.236 -4.662 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.476 -6.035 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.956 -4.371 -10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.426 -5.068 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.882 -2.974 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.239 -2.832 -11.593 1.00 0.00 H new ATOM 235 N MET A 19 -4.420 -7.068 -9.593 1.00 0.00 N ATOM 236 CA MET A 19 -3.521 -8.215 -9.666 1.00 0.00 C ATOM 237 C MET A 19 -4.204 -9.475 -9.144 1.00 0.00 C ATOM 238 O MET A 19 -4.301 -10.477 -9.850 1.00 0.00 O ATOM 239 CB MET A 19 -2.246 -7.942 -8.866 1.00 0.00 C ATOM 240 CG MET A 19 -1.153 -7.266 -9.677 1.00 0.00 C ATOM 241 SD MET A 19 0.317 -6.906 -8.697 1.00 0.00 S ATOM 242 CE MET A 19 -0.122 -5.318 -7.997 1.00 0.00 C ATOM 0 H MET A 19 -4.010 -6.236 -9.168 1.00 0.00 H new ATOM 0 HA MET A 19 -3.258 -8.373 -10.712 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.492 -7.315 -8.009 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.865 -8.884 -8.472 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.878 -7.907 -10.515 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.540 -6.338 -10.099 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.692 -4.612 -8.158 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.026 -4.945 -8.479 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.300 -5.429 -6.927 1.00 0.00 H new ATOM 252 N GLY A 20 -4.674 -9.417 -7.902 1.00 0.00 N ATOM 253 CA GLY A 20 -5.341 -10.560 -7.306 1.00 0.00 C ATOM 254 C GLY A 20 -5.217 -10.581 -5.796 1.00 0.00 C ATOM 255 O GLY A 20 -5.081 -11.646 -5.192 1.00 0.00 O ATOM 0 H GLY A 20 -4.605 -8.598 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.396 -10.545 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.918 -11.478 -7.715 1.00 0.00 H new ATOM 259 N PHE A 21 -5.264 -9.403 -5.183 1.00 0.00 N ATOM 260 CA PHE A 21 -5.154 -9.290 -3.733 1.00 0.00 C ATOM 261 C PHE A 21 -6.341 -8.524 -3.156 1.00 0.00 C ATOM 262 O PHE A 21 -6.310 -7.298 -3.051 1.00 0.00 O ATOM 263 CB PHE A 21 -3.847 -8.591 -3.353 1.00 0.00 C ATOM 264 CG PHE A 21 -2.620 -9.376 -3.716 1.00 0.00 C ATOM 265 CD1 PHE A 21 -2.311 -10.552 -3.052 1.00 0.00 C ATOM 266 CD2 PHE A 21 -1.773 -8.937 -4.722 1.00 0.00 C ATOM 267 CE1 PHE A 21 -1.182 -11.277 -3.385 1.00 0.00 C ATOM 268 CE2 PHE A 21 -0.643 -9.657 -5.059 1.00 0.00 C ATOM 269 CZ PHE A 21 -0.347 -10.828 -4.389 1.00 0.00 C ATOM 0 H PHE A 21 -5.378 -8.513 -5.668 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.155 -10.296 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.807 -7.620 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.844 -8.403 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.960 -10.907 -2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.999 -8.021 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.953 -12.193 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.008 -9.305 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.536 -11.392 -4.650 1.00 0.00 H new ATOM 279 N CYS A 22 -7.385 -9.257 -2.784 1.00 0.00 N ATOM 280 CA CYS A 22 -8.583 -8.647 -2.218 1.00 0.00 C ATOM 281 C CYS A 22 -8.309 -8.107 -0.818 1.00 0.00 C ATOM 282 O CYS A 22 -8.823 -7.054 -0.437 1.00 0.00 O ATOM 283 CB CYS A 22 -9.724 -9.665 -2.171 1.00 0.00 C ATOM 284 SG CYS A 22 -10.645 -9.814 -3.719 1.00 0.00 S ATOM 0 H CYS A 22 -7.426 -10.273 -2.864 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.874 -7.814 -2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.315 -10.641 -1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.414 -9.384 -1.376 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.586 -10.700 -3.580 1.00 0.00 H new ATOM 290 N ASP A 23 -7.499 -8.834 -0.057 1.00 0.00 N ATOM 291 CA ASP A 23 -7.157 -8.427 1.301 1.00 0.00 C ATOM 292 C ASP A 23 -6.956 -6.918 1.382 1.00 0.00 C ATOM 293 O ASP A 23 -5.986 -6.381 0.846 1.00 0.00 O ATOM 294 CB ASP A 23 -5.892 -9.149 1.769 1.00 0.00 C ATOM 295 CG ASP A 23 -4.834 -9.225 0.685 1.00 0.00 C ATOM 296 OD1 ASP A 23 -4.942 -10.110 -0.189 1.00 0.00 O ATOM 297 OD2 ASP A 23 -3.900 -8.397 0.711 1.00 0.00 O ATOM 0 H ASP A 23 -7.067 -9.708 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.985 -8.700 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.482 -8.632 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.151 -10.158 2.091 1.00 0.00 H new ATOM 302 N ARG A 24 -7.878 -6.238 2.056 1.00 0.00 N ATOM 303 CA ARG A 24 -7.803 -4.790 2.205 1.00 0.00 C ATOM 304 C ARG A 24 -7.114 -4.413 3.513 1.00 0.00 C ATOM 305 O ARG A 24 -6.174 -3.618 3.524 1.00 0.00 O ATOM 306 CB ARG A 24 -9.205 -4.178 2.161 1.00 0.00 C ATOM 307 CG ARG A 24 -9.242 -2.713 2.562 1.00 0.00 C ATOM 308 CD ARG A 24 -9.463 -2.551 4.058 1.00 0.00 C ATOM 309 NE ARG A 24 -9.654 -1.153 4.435 1.00 0.00 N ATOM 310 CZ ARG A 24 -9.761 -0.739 5.693 1.00 0.00 C ATOM 311 NH1 ARG A 24 -9.697 -1.611 6.689 1.00 0.00 N ATOM 312 NH2 ARG A 24 -9.933 0.551 5.956 1.00 0.00 N ATOM 0 H ARG A 24 -8.686 -6.667 2.508 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.215 -4.395 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.605 -4.280 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.860 -4.744 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.306 -2.233 2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.039 -2.206 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.335 -3.130 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.608 -2.958 4.597 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.708 -0.456 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.565 -2.603 6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.779 -1.290 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.983 1.225 5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.015 0.868 6.922 1.00 0.00 H new ATOM 326 N GLN A 25 -7.587 -4.990 4.613 1.00 0.00 N ATOM 327 CA GLN A 25 -7.017 -4.713 5.926 1.00 0.00 C ATOM 328 C GLN A 25 -5.505 -4.915 5.917 1.00 0.00 C ATOM 329 O GLN A 25 -4.771 -4.224 6.625 1.00 0.00 O ATOM 330 CB GLN A 25 -7.657 -5.614 6.984 1.00 0.00 C ATOM 331 CG GLN A 25 -7.703 -7.080 6.586 1.00 0.00 C ATOM 332 CD GLN A 25 -6.474 -7.846 7.035 1.00 0.00 C ATOM 333 OE1 GLN A 25 -5.821 -8.517 6.236 1.00 0.00 O ATOM 334 NE2 GLN A 25 -6.152 -7.749 8.320 1.00 0.00 N ATOM 0 H GLN A 25 -8.363 -5.652 4.621 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.225 -3.672 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.102 -5.516 7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.672 -5.267 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.592 -7.542 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.798 -7.156 5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.722 -7.181 8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.335 -8.242 8.680 1.00 0.00 H new ATOM 343 N LEU A 26 -5.046 -5.866 5.111 1.00 0.00 N ATOM 344 CA LEU A 26 -3.620 -6.159 5.009 1.00 0.00 C ATOM 345 C LEU A 26 -2.903 -5.097 4.181 1.00 0.00 C ATOM 346 O LEU A 26 -1.949 -4.475 4.644 1.00 0.00 O ATOM 347 CB LEU A 26 -3.407 -7.539 4.384 1.00 0.00 C ATOM 348 CG LEU A 26 -2.091 -8.237 4.730 1.00 0.00 C ATOM 349 CD1 LEU A 26 -2.175 -9.722 4.415 1.00 0.00 C ATOM 350 CD2 LEU A 26 -0.934 -7.595 3.977 1.00 0.00 C ATOM 0 H LEU A 26 -5.640 -6.447 4.519 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.200 -6.153 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.229 -8.185 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.468 -7.438 3.300 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.912 -8.123 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.229 -10.202 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.978 -10.173 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.378 -9.858 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.005 -8.104 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.107 -7.678 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.860 -6.543 4.252 1.00 0.00 H new ATOM 362 N ASN A 27 -3.372 -4.895 2.954 1.00 0.00 N ATOM 363 CA ASN A 27 -2.777 -3.906 2.062 1.00 0.00 C ATOM 364 C ASN A 27 -2.463 -2.615 2.812 1.00 0.00 C ATOM 365 O ASN A 27 -1.299 -2.271 3.018 1.00 0.00 O ATOM 366 CB ASN A 27 -3.717 -3.614 0.891 1.00 0.00 C ATOM 367 CG ASN A 27 -3.908 -4.817 -0.012 1.00 0.00 C ATOM 368 OD1 ASN A 27 -3.119 -5.761 0.018 1.00 0.00 O ATOM 369 ND2 ASN A 27 -4.959 -4.787 -0.823 1.00 0.00 N ATOM 0 H ASN A 27 -4.162 -5.402 2.555 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.844 -4.316 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.685 -3.296 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.318 -2.785 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.138 -5.568 -1.455 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.587 -3.983 -0.814 1.00 0.00 H new ATOM 376 N LEU A 28 -3.510 -1.905 3.219 1.00 0.00 N ATOM 377 CA LEU A 28 -3.347 -0.652 3.947 1.00 0.00 C ATOM 378 C LEU A 28 -2.135 -0.712 4.871 1.00 0.00 C ATOM 379 O LEU A 28 -1.181 0.049 4.710 1.00 0.00 O ATOM 380 CB LEU A 28 -4.607 -0.343 4.759 1.00 0.00 C ATOM 381 CG LEU A 28 -5.693 0.454 4.036 1.00 0.00 C ATOM 382 CD1 LEU A 28 -6.980 0.459 4.846 1.00 0.00 C ATOM 383 CD2 LEU A 28 -5.222 1.876 3.770 1.00 0.00 C ATOM 0 H LEU A 28 -4.480 -2.176 3.057 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.187 0.144 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.039 -1.286 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.313 0.209 5.652 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.893 -0.026 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.741 1.031 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.327 -0.565 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.796 0.915 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.007 2.429 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.994 2.367 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.327 1.853 3.148 1.00 0.00 H new ATOM 395 N ARG A 29 -2.179 -1.623 5.838 1.00 0.00 N ATOM 396 CA ARG A 29 -1.084 -1.784 6.787 1.00 0.00 C ATOM 397 C ARG A 29 0.266 -1.691 6.080 1.00 0.00 C ATOM 398 O ARG A 29 1.185 -1.026 6.560 1.00 0.00 O ATOM 399 CB ARG A 29 -1.201 -3.126 7.511 1.00 0.00 C ATOM 400 CG ARG A 29 -0.370 -3.208 8.780 1.00 0.00 C ATOM 401 CD ARG A 29 -0.082 -4.651 9.166 1.00 0.00 C ATOM 402 NE ARG A 29 0.341 -4.771 10.559 1.00 0.00 N ATOM 403 CZ ARG A 29 0.331 -5.915 11.233 1.00 0.00 C ATOM 404 NH1 ARG A 29 -0.077 -7.032 10.646 1.00 0.00 N ATOM 405 NH2 ARG A 29 0.731 -5.944 12.498 1.00 0.00 N ATOM 0 H ARG A 29 -2.961 -2.261 5.985 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.149 -0.978 7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.247 -3.305 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.894 -3.923 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.570 -2.674 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.897 -2.711 9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.975 -5.254 9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.695 -5.052 8.515 1.00 0.00 H new ATOM 0 HE ARG A 29 0.661 -3.931 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.384 -7.014 9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.083 -7.909 11.167 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.046 -5.087 12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.723 -6.823 13.015 1.00 0.00 H new ATOM 419 N LEU A 30 0.377 -2.361 4.939 1.00 0.00 N ATOM 420 CA LEU A 30 1.615 -2.355 4.166 1.00 0.00 C ATOM 421 C LEU A 30 1.850 -0.991 3.525 1.00 0.00 C ATOM 422 O LEU A 30 2.868 -0.344 3.773 1.00 0.00 O ATOM 423 CB LEU A 30 1.570 -3.438 3.087 1.00 0.00 C ATOM 424 CG LEU A 30 1.764 -4.876 3.570 1.00 0.00 C ATOM 425 CD1 LEU A 30 1.287 -5.862 2.515 1.00 0.00 C ATOM 426 CD2 LEU A 30 3.223 -5.130 3.918 1.00 0.00 C ATOM 0 H LEU A 30 -0.374 -2.915 4.528 1.00 0.00 H new ATOM 0 HA LEU A 30 2.441 -2.563 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.609 -3.374 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.339 -3.218 2.347 1.00 0.00 H new ATOM 0 HG LEU A 30 1.166 -5.020 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.433 -6.880 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.229 -5.696 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.857 -5.717 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.342 -6.158 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.841 -4.967 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.533 -4.447 4.709 1.00 0.00 H new ATOM 438 N LEU A 31 0.901 -0.559 2.703 1.00 0.00 N ATOM 439 CA LEU A 31 1.003 0.730 2.027 1.00 0.00 C ATOM 440 C LEU A 31 1.676 1.763 2.925 1.00 0.00 C ATOM 441 O LEU A 31 2.757 2.263 2.612 1.00 0.00 O ATOM 442 CB LEU A 31 -0.386 1.224 1.615 1.00 0.00 C ATOM 443 CG LEU A 31 -1.204 0.272 0.741 1.00 0.00 C ATOM 444 CD1 LEU A 31 -2.548 0.892 0.391 1.00 0.00 C ATOM 445 CD2 LEU A 31 -0.435 -0.086 -0.522 1.00 0.00 C ATOM 0 H LEU A 31 0.052 -1.082 2.488 1.00 0.00 H new ATOM 0 HA LEU A 31 1.614 0.597 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.957 1.437 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.271 2.167 1.081 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.384 -0.644 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.117 0.201 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.103 1.097 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.389 1.823 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.032 -0.764 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.224 0.821 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.503 -0.572 -0.252 1.00 0.00 H new ATOM 457 N LYS A 32 1.031 2.078 4.043 1.00 0.00 N ATOM 458 CA LYS A 32 1.569 3.049 4.989 1.00 0.00 C ATOM 459 C LYS A 32 3.036 2.762 5.289 1.00 0.00 C ATOM 460 O LYS A 32 3.832 3.681 5.488 1.00 0.00 O ATOM 461 CB LYS A 32 0.759 3.029 6.287 1.00 0.00 C ATOM 462 CG LYS A 32 -0.561 3.776 6.192 1.00 0.00 C ATOM 463 CD LYS A 32 -1.676 2.876 5.686 1.00 0.00 C ATOM 464 CE LYS A 32 -3.034 3.332 6.195 1.00 0.00 C ATOM 465 NZ LYS A 32 -3.444 4.631 5.594 1.00 0.00 N ATOM 0 H LYS A 32 0.135 1.675 4.316 1.00 0.00 H new ATOM 0 HA LYS A 32 1.496 4.038 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.562 1.994 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.358 3.466 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.828 4.171 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.450 4.630 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.677 2.874 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.491 1.851 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.782 2.573 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.001 3.428 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.480 5.360 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.755 4.910 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.384 4.531 5.160 1.00 0.00 H new ATOM 479 N LYS A 33 3.390 1.481 5.318 1.00 0.00 N ATOM 480 CA LYS A 33 4.762 1.072 5.591 1.00 0.00 C ATOM 481 C LYS A 33 5.643 1.269 4.361 1.00 0.00 C ATOM 482 O LYS A 33 6.815 1.630 4.476 1.00 0.00 O ATOM 483 CB LYS A 33 4.802 -0.393 6.031 1.00 0.00 C ATOM 484 CG LYS A 33 6.206 -0.918 6.273 1.00 0.00 C ATOM 485 CD LYS A 33 6.802 -1.522 5.013 1.00 0.00 C ATOM 486 CE LYS A 33 8.240 -1.964 5.232 1.00 0.00 C ATOM 487 NZ LYS A 33 9.158 -0.803 5.399 1.00 0.00 N ATOM 0 H LYS A 33 2.744 0.708 5.156 1.00 0.00 H new ATOM 0 HA LYS A 33 5.147 1.697 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.219 -0.505 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.321 -1.006 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.843 -0.106 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.183 -1.670 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.202 -2.376 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.764 -0.791 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.294 -2.600 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.568 -2.567 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.143 -1.136 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.015 -0.132 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.958 -0.330 6.303 1.00 0.00 H new ATOM 501 N HIS A 34 5.072 1.030 3.185 1.00 0.00 N ATOM 502 CA HIS A 34 5.805 1.183 1.933 1.00 0.00 C ATOM 503 C HIS A 34 5.405 2.473 1.224 1.00 0.00 C ATOM 504 O HIS A 34 5.386 2.537 -0.005 1.00 0.00 O ATOM 505 CB HIS A 34 5.550 -0.016 1.019 1.00 0.00 C ATOM 506 CG HIS A 34 6.297 -1.249 1.426 1.00 0.00 C ATOM 507 ND1 HIS A 34 7.673 -1.307 1.496 1.00 0.00 N ATOM 508 CD2 HIS A 34 5.851 -2.475 1.788 1.00 0.00 C ATOM 509 CE1 HIS A 34 8.041 -2.515 1.882 1.00 0.00 C ATOM 510 NE2 HIS A 34 6.955 -3.243 2.066 1.00 0.00 N ATOM 0 H HIS A 34 4.104 0.730 3.073 1.00 0.00 H new ATOM 0 HA HIS A 34 6.869 1.232 2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.482 -0.235 1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.830 0.249 -0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.820 -2.790 1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.058 -2.851 2.023 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.939 -4.218 2.366 1.00 0.00 H new ATOM 519 N ASN A 35 5.085 3.499 2.006 1.00 0.00 N ATOM 520 CA ASN A 35 4.685 4.787 1.453 1.00 0.00 C ATOM 521 C ASN A 35 3.838 4.600 0.197 1.00 0.00 C ATOM 522 O ASN A 35 3.921 5.389 -0.744 1.00 0.00 O ATOM 523 CB ASN A 35 5.918 5.632 1.128 1.00 0.00 C ATOM 524 CG ASN A 35 6.977 4.846 0.379 1.00 0.00 C ATOM 525 OD1 ASN A 35 7.713 4.056 0.970 1.00 0.00 O ATOM 526 ND2 ASN A 35 7.057 5.059 -0.929 1.00 0.00 N ATOM 0 H ASN A 35 5.095 3.463 3.025 1.00 0.00 H new ATOM 0 HA ASN A 35 4.085 5.305 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.618 6.493 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.344 6.019 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.749 4.558 -1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.426 5.723 -1.377 1.00 0.00 H new ATOM 533 N TYR A 36 3.024 3.550 0.191 1.00 0.00 N ATOM 534 CA TYR A 36 2.163 3.257 -0.949 1.00 0.00 C ATOM 535 C TYR A 36 2.991 2.890 -2.177 1.00 0.00 C ATOM 536 O TYR A 36 2.850 3.495 -3.238 1.00 0.00 O ATOM 537 CB TYR A 36 1.271 4.459 -1.263 1.00 0.00 C ATOM 538 CG TYR A 36 0.445 4.924 -0.085 1.00 0.00 C ATOM 539 CD1 TYR A 36 0.990 5.754 0.886 1.00 0.00 C ATOM 540 CD2 TYR A 36 -0.881 4.533 0.057 1.00 0.00 C ATOM 541 CE1 TYR A 36 0.240 6.181 1.965 1.00 0.00 C ATOM 542 CE2 TYR A 36 -1.639 4.956 1.131 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.075 5.779 2.083 1.00 0.00 C ATOM 544 OH TYR A 36 -1.826 6.202 3.155 1.00 0.00 O ATOM 0 H TYR A 36 2.942 2.888 0.962 1.00 0.00 H new ATOM 0 HA TYR A 36 1.535 2.405 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.895 5.284 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.603 4.200 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.018 6.071 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.326 3.887 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.680 6.825 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.669 4.644 1.225 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.730 5.831 3.088 1.00 0.00 H new ATOM 554 N ASN A 37 3.855 1.892 -2.023 1.00 0.00 N ATOM 555 CA ASN A 37 4.707 1.442 -3.118 1.00 0.00 C ATOM 556 C ASN A 37 4.244 0.087 -3.645 1.00 0.00 C ATOM 557 O ASN A 37 4.650 -0.959 -3.138 1.00 0.00 O ATOM 558 CB ASN A 37 6.162 1.352 -2.656 1.00 0.00 C ATOM 559 CG ASN A 37 7.143 1.492 -3.804 1.00 0.00 C ATOM 560 OD1 ASN A 37 6.812 1.209 -4.956 1.00 0.00 O ATOM 561 ND2 ASN A 37 8.358 1.930 -3.495 1.00 0.00 N ATOM 0 H ASN A 37 3.984 1.379 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 37 4.634 2.171 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.355 2.132 -1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.324 0.396 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.060 2.044 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.589 2.153 -2.527 1.00 0.00 H new ATOM 568 N ILE A 38 3.394 0.114 -4.666 1.00 0.00 N ATOM 569 CA ILE A 38 2.879 -1.112 -5.263 1.00 0.00 C ATOM 570 C ILE A 38 4.004 -2.101 -5.547 1.00 0.00 C ATOM 571 O ILE A 38 3.787 -3.313 -5.576 1.00 0.00 O ATOM 572 CB ILE A 38 2.120 -0.824 -6.573 1.00 0.00 C ATOM 573 CG1 ILE A 38 1.484 -2.107 -7.111 1.00 0.00 C ATOM 574 CG2 ILE A 38 3.059 -0.219 -7.606 1.00 0.00 C ATOM 575 CD1 ILE A 38 0.325 -2.603 -6.275 1.00 0.00 C ATOM 0 H ILE A 38 3.048 0.971 -5.097 1.00 0.00 H new ATOM 0 HA ILE A 38 2.189 -1.549 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 38 1.326 -0.106 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.138 -1.932 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.244 -2.886 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.509 -0.021 -8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.471 0.714 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.871 -0.916 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.077 -3.516 -6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.670 -2.810 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.454 -1.841 -6.245 1.00 0.00 H new ATOM 587 N LEU A 39 5.207 -1.576 -5.753 1.00 0.00 N ATOM 588 CA LEU A 39 6.368 -2.413 -6.033 1.00 0.00 C ATOM 589 C LEU A 39 6.765 -3.223 -4.802 1.00 0.00 C ATOM 590 O LEU A 39 6.955 -4.436 -4.881 1.00 0.00 O ATOM 591 CB LEU A 39 7.545 -1.550 -6.491 1.00 0.00 C ATOM 592 CG LEU A 39 7.565 -1.175 -7.973 1.00 0.00 C ATOM 593 CD1 LEU A 39 7.966 -2.372 -8.821 1.00 0.00 C ATOM 594 CD2 LEU A 39 6.208 -0.642 -8.407 1.00 0.00 C ATOM 0 H LEU A 39 5.404 -0.575 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 39 6.102 -3.106 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.546 -0.631 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.469 -2.078 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 39 8.305 -0.388 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.975 -2.086 -9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.961 -2.709 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.251 -3.180 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.241 -0.380 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.448 -1.407 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.961 0.244 -7.822 1.00 0.00 H new ATOM 606 N GLN A 40 6.886 -2.542 -3.667 1.00 0.00 N ATOM 607 CA GLN A 40 7.259 -3.199 -2.420 1.00 0.00 C ATOM 608 C GLN A 40 6.068 -3.933 -1.814 1.00 0.00 C ATOM 609 O GLN A 40 6.135 -5.133 -1.547 1.00 0.00 O ATOM 610 CB GLN A 40 7.803 -2.174 -1.422 1.00 0.00 C ATOM 611 CG GLN A 40 9.129 -1.562 -1.841 1.00 0.00 C ATOM 612 CD GLN A 40 10.312 -2.454 -1.517 1.00 0.00 C ATOM 613 OE1 GLN A 40 10.467 -3.532 -2.090 1.00 0.00 O ATOM 614 NE2 GLN A 40 11.155 -2.007 -0.593 1.00 0.00 N ATOM 0 H GLN A 40 6.731 -1.537 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 40 8.038 -3.929 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.069 -1.378 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.924 -2.654 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.111 -1.364 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.255 -0.601 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.988 -1.107 -0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.969 -2.564 -0.333 1.00 0.00 H new ATOM 623 N VAL A 41 4.977 -3.205 -1.599 1.00 0.00 N ATOM 624 CA VAL A 41 3.769 -3.787 -1.025 1.00 0.00 C ATOM 625 C VAL A 41 3.435 -5.120 -1.686 1.00 0.00 C ATOM 626 O VAL A 41 2.860 -6.009 -1.058 1.00 0.00 O ATOM 627 CB VAL A 41 2.565 -2.838 -1.170 1.00 0.00 C ATOM 628 CG1 VAL A 41 1.300 -3.496 -0.640 1.00 0.00 C ATOM 629 CG2 VAL A 41 2.833 -1.524 -0.452 1.00 0.00 C ATOM 0 H VAL A 41 4.905 -2.210 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 41 3.968 -3.949 0.034 1.00 0.00 H new ATOM 0 HB VAL A 41 2.419 -2.624 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.460 -2.811 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.101 -4.408 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.432 -3.741 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.972 -0.865 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.006 -1.717 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.713 -1.047 -0.883 1.00 0.00 H new ATOM 639 N VAL A 42 3.799 -5.252 -2.957 1.00 0.00 N ATOM 640 CA VAL A 42 3.539 -6.477 -3.704 1.00 0.00 C ATOM 641 C VAL A 42 4.574 -7.548 -3.380 1.00 0.00 C ATOM 642 O VAL A 42 4.265 -8.553 -2.740 1.00 0.00 O ATOM 643 CB VAL A 42 3.540 -6.220 -5.223 1.00 0.00 C ATOM 644 CG1 VAL A 42 3.637 -7.532 -5.986 1.00 0.00 C ATOM 645 CG2 VAL A 42 2.296 -5.446 -5.632 1.00 0.00 C ATOM 0 H VAL A 42 4.275 -4.525 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 42 2.552 -6.827 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 42 4.413 -5.617 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.636 -7.331 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.560 -8.044 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.784 -8.163 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.313 -5.273 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.408 -6.021 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.275 -4.489 -5.111 1.00 0.00 H new ATOM 655 N THR A 43 5.807 -7.326 -3.826 1.00 0.00 N ATOM 656 CA THR A 43 6.889 -8.272 -3.585 1.00 0.00 C ATOM 657 C THR A 43 6.827 -8.828 -2.167 1.00 0.00 C ATOM 658 O THR A 43 7.196 -9.976 -1.924 1.00 0.00 O ATOM 659 CB THR A 43 8.266 -7.619 -3.809 1.00 0.00 C ATOM 660 OG1 THR A 43 9.233 -8.620 -4.145 1.00 0.00 O ATOM 661 CG2 THR A 43 8.717 -6.868 -2.565 1.00 0.00 C ATOM 0 H THR A 43 6.081 -6.499 -4.356 1.00 0.00 H new ATOM 0 HA THR A 43 6.762 -9.087 -4.298 1.00 0.00 H new ATOM 0 HB THR A 43 8.178 -6.909 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.106 -8.197 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.692 -6.415 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.993 -6.088 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.790 -7.562 -1.727 1.00 0.00 H new ATOM 669 N GLU A 44 6.357 -8.006 -1.234 1.00 0.00 N ATOM 670 CA GLU A 44 6.248 -8.417 0.161 1.00 0.00 C ATOM 671 C GLU A 44 5.071 -9.368 0.357 1.00 0.00 C ATOM 672 O GLU A 44 5.176 -10.366 1.072 1.00 0.00 O ATOM 673 CB GLU A 44 6.085 -7.194 1.066 1.00 0.00 C ATOM 674 CG GLU A 44 6.343 -7.484 2.535 1.00 0.00 C ATOM 675 CD GLU A 44 5.521 -8.649 3.052 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.313 -8.456 3.303 1.00 0.00 O ATOM 677 OE2 GLU A 44 6.086 -9.751 3.206 1.00 0.00 O ATOM 0 H GLU A 44 6.046 -7.052 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 44 7.165 -8.940 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.769 -6.413 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.074 -6.802 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.402 -7.699 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.116 -6.595 3.123 1.00 0.00 H new ATOM 684 N LEU A 45 3.950 -9.053 -0.282 1.00 0.00 N ATOM 685 CA LEU A 45 2.752 -9.878 -0.179 1.00 0.00 C ATOM 686 C LEU A 45 3.036 -11.309 -0.625 1.00 0.00 C ATOM 687 O LEU A 45 2.483 -12.263 -0.076 1.00 0.00 O ATOM 688 CB LEU A 45 1.624 -9.283 -1.023 1.00 0.00 C ATOM 689 CG LEU A 45 0.859 -8.116 -0.396 1.00 0.00 C ATOM 690 CD1 LEU A 45 0.101 -7.340 -1.461 1.00 0.00 C ATOM 691 CD2 LEU A 45 -0.094 -8.620 0.679 1.00 0.00 C ATOM 0 H LEU A 45 3.846 -8.231 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 45 2.443 -9.897 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.045 -8.948 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.912 -10.076 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 45 1.579 -7.443 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.437 -6.514 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.805 -6.947 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.609 -8.002 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.630 -7.777 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.808 -9.314 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.473 -9.131 1.457 1.00 0.00 H new ATOM 703 N LEU A 46 3.902 -11.450 -1.623 1.00 0.00 N ATOM 704 CA LEU A 46 4.262 -12.765 -2.142 1.00 0.00 C ATOM 705 C LEU A 46 5.162 -13.510 -1.162 1.00 0.00 C ATOM 706 O LEU A 46 5.315 -14.728 -1.248 1.00 0.00 O ATOM 707 CB LEU A 46 4.965 -12.626 -3.494 1.00 0.00 C ATOM 708 CG LEU A 46 4.091 -12.163 -4.660 1.00 0.00 C ATOM 709 CD1 LEU A 46 4.952 -11.610 -5.785 1.00 0.00 C ATOM 710 CD2 LEU A 46 3.224 -13.308 -5.164 1.00 0.00 C ATOM 0 H LEU A 46 4.367 -10.671 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 46 3.345 -13.340 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.789 -11.922 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.403 -13.590 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 46 3.437 -11.367 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.313 -11.285 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.530 -10.762 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.631 -12.386 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.609 -12.960 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.861 -14.125 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.581 -13.659 -4.357 1.00 0.00 H new ATOM 722 N GLN A 47 5.753 -12.770 -0.229 1.00 0.00 N ATOM 723 CA GLN A 47 6.637 -13.361 0.768 1.00 0.00 C ATOM 724 C GLN A 47 5.836 -13.939 1.930 1.00 0.00 C ATOM 725 O GLN A 47 6.166 -15.002 2.458 1.00 0.00 O ATOM 726 CB GLN A 47 7.628 -12.317 1.285 1.00 0.00 C ATOM 727 CG GLN A 47 8.827 -12.113 0.374 1.00 0.00 C ATOM 728 CD GLN A 47 9.742 -11.003 0.853 1.00 0.00 C ATOM 729 OE1 GLN A 47 10.150 -10.977 2.015 1.00 0.00 O ATOM 730 NE2 GLN A 47 10.070 -10.078 -0.041 1.00 0.00 N ATOM 0 H GLN A 47 5.635 -11.760 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 47 7.190 -14.171 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.110 -11.366 1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.979 -12.619 2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.392 -13.043 0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.478 -11.882 -0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.709 -10.138 -0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.683 -9.307 0.224 1.00 0.00 H new ATOM 739 N LEU A 48 4.783 -13.233 2.326 1.00 0.00 N ATOM 740 CA LEU A 48 3.934 -13.676 3.427 1.00 0.00 C ATOM 741 C LEU A 48 3.288 -15.021 3.110 1.00 0.00 C ATOM 742 O LEU A 48 3.344 -15.952 3.913 1.00 0.00 O ATOM 743 CB LEU A 48 2.853 -12.633 3.714 1.00 0.00 C ATOM 744 CG LEU A 48 3.346 -11.212 3.990 1.00 0.00 C ATOM 745 CD1 LEU A 48 2.177 -10.241 4.039 1.00 0.00 C ATOM 746 CD2 LEU A 48 4.136 -11.166 5.290 1.00 0.00 C ATOM 0 H LEU A 48 4.496 -12.351 1.901 1.00 0.00 H new ATOM 0 HA LEU A 48 4.560 -13.795 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.173 -12.601 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.273 -12.968 4.574 1.00 0.00 H new ATOM 0 HG LEU A 48 4.006 -10.912 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.548 -9.235 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.653 -10.254 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.491 -10.537 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.479 -10.148 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.499 -11.486 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.996 -11.831 5.217 1.00 0.00 H new ATOM 758 N SER A 49 2.678 -15.116 1.933 1.00 0.00 N ATOM 759 CA SER A 49 2.021 -16.346 1.510 1.00 0.00 C ATOM 760 C SER A 49 3.042 -17.455 1.274 1.00 0.00 C ATOM 761 O SER A 49 3.719 -17.482 0.247 1.00 0.00 O ATOM 762 CB SER A 49 1.210 -16.104 0.234 1.00 0.00 C ATOM 763 OG SER A 49 0.255 -17.132 0.034 1.00 0.00 O ATOM 0 H SER A 49 2.625 -14.355 1.256 1.00 0.00 H new ATOM 0 HA SER A 49 1.347 -16.660 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.704 -15.141 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.881 -16.055 -0.623 1.00 0.00 H new ATOM 0 HG SER A 49 -0.251 -16.953 -0.786 1.00 0.00 H new ATOM 769 N GLY A 50 3.146 -18.369 2.234 1.00 0.00 N ATOM 770 CA GLY A 50 4.087 -19.468 2.113 1.00 0.00 C ATOM 771 C GLY A 50 3.427 -20.819 2.302 1.00 0.00 C ATOM 772 O GLY A 50 3.549 -21.452 3.351 1.00 0.00 O ATOM 0 H GLY A 50 2.596 -18.368 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.559 -19.432 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.879 -19.347 2.852 1.00 0.00 H new ATOM 776 N PRO A 51 2.707 -21.280 1.269 1.00 0.00 N ATOM 777 CA PRO A 51 2.010 -22.569 1.302 1.00 0.00 C ATOM 778 C PRO A 51 2.974 -23.750 1.284 1.00 0.00 C ATOM 779 O PRO A 51 2.595 -24.878 1.600 1.00 0.00 O ATOM 780 CB PRO A 51 1.165 -22.549 0.026 1.00 0.00 C ATOM 781 CG PRO A 51 1.886 -21.622 -0.891 1.00 0.00 C ATOM 782 CD PRO A 51 2.518 -20.579 -0.012 1.00 0.00 C ATOM 0 HA PRO A 51 1.426 -22.693 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.078 -23.546 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.152 -22.199 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.641 -22.154 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.199 -21.167 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.465 -20.229 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.876 -19.705 0.099 1.00 0.00 H new ATOM 790 N SER A 52 4.222 -23.484 0.912 1.00 0.00 N ATOM 791 CA SER A 52 5.240 -24.526 0.850 1.00 0.00 C ATOM 792 C SER A 52 5.827 -24.796 2.232 1.00 0.00 C ATOM 793 O SER A 52 5.857 -23.913 3.089 1.00 0.00 O ATOM 794 CB SER A 52 6.353 -24.123 -0.120 1.00 0.00 C ATOM 795 OG SER A 52 5.881 -24.094 -1.455 1.00 0.00 O ATOM 0 H SER A 52 4.552 -22.556 0.649 1.00 0.00 H new ATOM 0 HA SER A 52 4.768 -25.440 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.740 -23.141 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.182 -24.826 -0.039 1.00 0.00 H new ATOM 0 HG SER A 52 6.611 -23.832 -2.054 1.00 0.00 H new ATOM 801 N SER A 53 6.292 -26.023 2.440 1.00 0.00 N ATOM 802 CA SER A 53 6.875 -26.413 3.719 1.00 0.00 C ATOM 803 C SER A 53 8.093 -27.308 3.511 1.00 0.00 C ATOM 804 O SER A 53 8.023 -28.317 2.811 1.00 0.00 O ATOM 805 CB SER A 53 5.836 -27.136 4.578 1.00 0.00 C ATOM 806 OG SER A 53 6.188 -27.092 5.950 1.00 0.00 O ATOM 0 H SER A 53 6.277 -26.765 1.740 1.00 0.00 H new ATOM 0 HA SER A 53 7.196 -25.508 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.858 -26.676 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.750 -28.173 4.254 1.00 0.00 H new ATOM 0 HG SER A 53 5.507 -27.559 6.478 1.00 0.00 H new ATOM 812 N GLY A 54 9.210 -26.930 4.125 1.00 0.00 N ATOM 813 CA GLY A 54 10.428 -27.709 3.996 1.00 0.00 C ATOM 814 C GLY A 54 11.125 -27.477 2.670 1.00 0.00 C ATOM 815 O GLY A 54 10.772 -28.087 1.661 1.00 0.00 O ATOM 0 H GLY A 54 9.293 -26.098 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.107 -27.454 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.191 -28.768 4.098 1.00 0.00 H new TER 819 GLY A 54