USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 Single : A 1 ARG N :NH3+ 142:sc= 0.0536 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= -0.162 (180deg=-0.219) USER MOD Single : A 10 LYS NZ :NH3+ -141:sc= -0.0736 (180deg=-0.828) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-1.7) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -148:sc= -0.511 (180deg=-1.73!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= -0.0125 (180deg=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.25) USER MOD Single : A 31 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.33) USER MOD Single : A 36 THR OG1 : rot -120:sc= -2.52 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0217) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.35! C(o=-1.4!,f=-1.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc=-0.00198 X(o=-0.002,f=-0.04) USER MOD Single : A 58 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.046) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.9!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=-0.26) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.046 K(o=-0.046,f=-0.71) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -0.0173 (180deg=-0.238) USER MOD Single : A 79 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 81 GLN :FLIP amide:sc= 1.14 F(o=-0.48,f=1.1) USER MOD Single : A 83 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.38) USER MOD Single : A 84 THR OG1 : rot 46:sc= -0.379 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -59:sc= 0.33 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 58.750 6.019 57.127 1.00 0.00 N ATOM 2 CA ARG A 1 58.688 5.700 55.710 1.00 0.00 C ATOM 3 C ARG A 1 59.462 6.741 54.898 1.00 0.00 C ATOM 4 O ARG A 1 59.844 7.785 55.424 1.00 0.00 O ATOM 5 CB ARG A 1 57.240 5.654 55.219 1.00 0.00 C ATOM 6 CG ARG A 1 56.925 4.305 54.569 1.00 0.00 C ATOM 7 CD ARG A 1 55.428 3.998 54.642 1.00 0.00 C ATOM 8 NE ARG A 1 54.750 4.489 53.421 1.00 0.00 N ATOM 9 CZ ARG A 1 54.643 3.779 52.278 1.00 0.00 C ATOM 10 NH1 ARG A 1 55.169 2.538 52.190 1.00 0.00 N ATOM 11 NH2 ARG A 1 54.016 4.315 51.248 1.00 0.00 N ATOM 0 H1 ARG A 1 57.835 5.804 57.572 1.00 0.00 H new ATOM 0 H2 ARG A 1 59.496 5.452 57.578 1.00 0.00 H new ATOM 0 H3 ARG A 1 58.964 7.030 57.246 1.00 0.00 H new ATOM 0 HA ARG A 1 59.138 4.717 55.571 1.00 0.00 H new ATOM 0 HB2 ARG A 1 56.563 5.826 56.056 1.00 0.00 H new ATOM 0 HB3 ARG A 1 57.070 6.456 54.501 1.00 0.00 H new ATOM 0 HG2 ARG A 1 57.248 4.315 53.528 1.00 0.00 H new ATOM 0 HG3 ARG A 1 57.487 3.516 55.069 1.00 0.00 H new ATOM 0 HD2 ARG A 1 55.273 2.924 54.747 1.00 0.00 H new ATOM 0 HD3 ARG A 1 54.994 4.470 55.524 1.00 0.00 H new ATOM 0 HE ARG A 1 54.338 5.422 53.445 1.00 0.00 H new ATOM 0 HH11 ARG A 1 55.651 2.131 52.991 1.00 0.00 H new ATOM 0 HH12 ARG A 1 55.084 2.008 51.323 1.00 0.00 H new ATOM 0 HH21 ARG A 1 53.621 5.252 51.323 1.00 0.00 H new ATOM 0 HH22 ARG A 1 53.926 3.792 50.377 1.00 0.00 H new ATOM 24 N LYS A 2 59.670 6.420 53.630 1.00 0.00 N ATOM 25 CA LYS A 2 60.392 7.314 52.740 1.00 0.00 C ATOM 26 C LYS A 2 59.764 7.255 51.346 1.00 0.00 C ATOM 27 O LYS A 2 59.198 8.239 50.874 1.00 0.00 O ATOM 28 CB LYS A 2 61.888 6.993 52.756 1.00 0.00 C ATOM 29 CG LYS A 2 62.713 8.206 52.321 1.00 0.00 C ATOM 30 CD LYS A 2 64.018 7.770 51.652 1.00 0.00 C ATOM 31 CE LYS A 2 65.205 8.569 52.194 1.00 0.00 C ATOM 32 NZ LYS A 2 65.732 7.944 53.427 1.00 0.00 N ATOM 0 H LYS A 2 59.351 5.553 53.197 1.00 0.00 H new ATOM 0 HA LYS A 2 60.308 8.345 53.084 1.00 0.00 H new ATOM 0 HB2 LYS A 2 62.187 6.686 53.758 1.00 0.00 H new ATOM 0 HB3 LYS A 2 62.091 6.153 52.091 1.00 0.00 H new ATOM 0 HG2 LYS A 2 62.132 8.816 51.630 1.00 0.00 H new ATOM 0 HG3 LYS A 2 62.935 8.829 53.187 1.00 0.00 H new ATOM 0 HD2 LYS A 2 64.182 6.706 51.825 1.00 0.00 H new ATOM 0 HD3 LYS A 2 63.943 7.910 50.574 1.00 0.00 H new ATOM 0 HE2 LYS A 2 65.991 8.620 51.441 1.00 0.00 H new ATOM 0 HE3 LYS A 2 64.896 9.594 52.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 66.537 8.499 53.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 64.985 7.918 54.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 66.045 6.975 53.218 1.00 0.00 H new ATOM 45 N LEU A 3 59.887 6.090 50.726 1.00 0.00 N ATOM 46 CA LEU A 3 59.339 5.890 49.395 1.00 0.00 C ATOM 47 C LEU A 3 59.766 7.049 48.493 1.00 0.00 C ATOM 48 O LEU A 3 59.116 8.094 48.469 1.00 0.00 O ATOM 49 CB LEU A 3 57.824 5.690 49.464 1.00 0.00 C ATOM 50 CG LEU A 3 57.204 4.864 48.335 1.00 0.00 C ATOM 51 CD1 LEU A 3 57.544 3.380 48.491 1.00 0.00 C ATOM 52 CD2 LEU A 3 55.695 5.100 48.247 1.00 0.00 C ATOM 0 H LEU A 3 60.358 5.276 51.121 1.00 0.00 H new ATOM 0 HA LEU A 3 59.738 4.977 48.952 1.00 0.00 H new ATOM 0 HB2 LEU A 3 57.584 5.210 50.413 1.00 0.00 H new ATOM 0 HB3 LEU A 3 57.348 6.671 49.473 1.00 0.00 H new ATOM 0 HG LEU A 3 57.637 5.196 47.392 1.00 0.00 H new ATOM 0 HD11 LEU A 3 57.091 2.815 47.676 1.00 0.00 H new ATOM 0 HD12 LEU A 3 58.626 3.250 48.465 1.00 0.00 H new ATOM 0 HD13 LEU A 3 57.157 3.016 49.443 1.00 0.00 H new ATOM 0 HD21 LEU A 3 55.280 4.501 47.437 1.00 0.00 H new ATOM 0 HD22 LEU A 3 55.226 4.812 49.188 1.00 0.00 H new ATOM 0 HD23 LEU A 3 55.502 6.155 48.054 1.00 0.00 H new ATOM 64 N GLU A 4 60.855 6.827 47.772 1.00 0.00 N ATOM 65 CA GLU A 4 61.376 7.840 46.870 1.00 0.00 C ATOM 66 C GLU A 4 61.433 7.298 45.440 1.00 0.00 C ATOM 67 O GLU A 4 60.819 7.861 44.535 1.00 0.00 O ATOM 68 CB GLU A 4 62.752 8.326 47.328 1.00 0.00 C ATOM 69 CG GLU A 4 63.240 9.488 46.461 1.00 0.00 C ATOM 70 CD GLU A 4 64.460 10.166 47.088 1.00 0.00 C ATOM 71 OE1 GLU A 4 64.332 10.837 48.123 1.00 0.00 O ATOM 72 OE2 GLU A 4 65.571 9.976 46.461 1.00 0.00 O ATOM 0 H GLU A 4 61.391 5.960 47.794 1.00 0.00 H new ATOM 0 HA GLU A 4 60.701 8.696 46.887 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.702 8.641 48.370 1.00 0.00 H new ATOM 0 HB3 GLU A 4 63.467 7.505 47.278 1.00 0.00 H new ATOM 0 HG2 GLU A 4 63.494 9.122 45.466 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.438 10.216 46.338 1.00 0.00 H new ATOM 80 N LEU A 5 62.177 6.213 45.282 1.00 0.00 N ATOM 81 CA LEU A 5 62.323 5.590 43.978 1.00 0.00 C ATOM 82 C LEU A 5 61.023 4.872 43.612 1.00 0.00 C ATOM 83 O LEU A 5 60.939 3.648 43.702 1.00 0.00 O ATOM 84 CB LEU A 5 63.555 4.683 43.952 1.00 0.00 C ATOM 85 CG LEU A 5 64.558 4.946 42.827 1.00 0.00 C ATOM 86 CD1 LEU A 5 65.520 6.075 43.203 1.00 0.00 C ATOM 87 CD2 LEU A 5 65.300 3.664 42.444 1.00 0.00 C ATOM 0 H LEU A 5 62.685 5.750 46.036 1.00 0.00 H new ATOM 0 HA LEU A 5 62.496 6.346 43.212 1.00 0.00 H new ATOM 0 HB2 LEU A 5 64.074 4.782 44.905 1.00 0.00 H new ATOM 0 HB3 LEU A 5 63.219 3.649 43.878 1.00 0.00 H new ATOM 0 HG LEU A 5 64.006 5.274 41.946 1.00 0.00 H new ATOM 0 HD11 LEU A 5 66.222 6.242 42.386 1.00 0.00 H new ATOM 0 HD12 LEU A 5 64.955 6.988 43.388 1.00 0.00 H new ATOM 0 HD13 LEU A 5 66.069 5.800 44.103 1.00 0.00 H new ATOM 0 HD21 LEU A 5 66.007 3.878 41.642 1.00 0.00 H new ATOM 0 HD22 LEU A 5 65.839 3.283 43.311 1.00 0.00 H new ATOM 0 HD23 LEU A 5 64.583 2.916 42.105 1.00 0.00 H new ATOM 99 N THR A 6 60.040 5.663 43.208 1.00 0.00 N ATOM 100 CA THR A 6 58.748 5.118 42.828 1.00 0.00 C ATOM 101 C THR A 6 58.824 4.481 41.439 1.00 0.00 C ATOM 102 O THR A 6 58.414 5.088 40.451 1.00 0.00 O ATOM 103 CB THR A 6 57.714 6.241 42.926 1.00 0.00 C ATOM 104 OG1 THR A 6 57.227 6.150 44.262 1.00 0.00 O ATOM 105 CG2 THR A 6 56.479 5.978 42.060 1.00 0.00 C ATOM 0 H THR A 6 60.112 6.678 43.136 1.00 0.00 H new ATOM 0 HA THR A 6 58.444 4.317 43.501 1.00 0.00 H new ATOM 0 HB THR A 6 58.173 7.183 42.627 1.00 0.00 H new ATOM 0 HG1 THR A 6 56.552 6.844 44.412 1.00 0.00 H new ATOM 0 HG21 THR A 6 55.777 6.805 42.166 1.00 0.00 H new ATOM 0 HG22 THR A 6 56.779 5.889 41.016 1.00 0.00 H new ATOM 0 HG23 THR A 6 56.000 5.053 42.380 1.00 0.00 H new ATOM 113 N LYS A 7 59.353 3.267 41.408 1.00 0.00 N ATOM 114 CA LYS A 7 59.489 2.542 40.157 1.00 0.00 C ATOM 115 C LYS A 7 58.100 2.275 39.574 1.00 0.00 C ATOM 116 O LYS A 7 57.135 2.096 40.315 1.00 0.00 O ATOM 117 CB LYS A 7 60.325 1.276 40.359 1.00 0.00 C ATOM 118 CG LYS A 7 59.700 0.370 41.422 1.00 0.00 C ATOM 119 CD LYS A 7 58.678 -0.583 40.799 1.00 0.00 C ATOM 120 CE LYS A 7 59.300 -1.955 40.532 1.00 0.00 C ATOM 121 NZ LYS A 7 60.345 -1.856 39.489 1.00 0.00 N ATOM 0 H LYS A 7 59.693 2.767 42.230 1.00 0.00 H new ATOM 0 HA LYS A 7 60.032 3.141 39.427 1.00 0.00 H new ATOM 0 HB2 LYS A 7 60.405 0.735 39.416 1.00 0.00 H new ATOM 0 HB3 LYS A 7 61.337 1.548 40.658 1.00 0.00 H new ATOM 0 HG2 LYS A 7 60.481 -0.204 41.920 1.00 0.00 H new ATOM 0 HG3 LYS A 7 59.216 0.979 42.185 1.00 0.00 H new ATOM 0 HD2 LYS A 7 57.822 -0.691 41.466 1.00 0.00 H new ATOM 0 HD3 LYS A 7 58.304 -0.162 39.866 1.00 0.00 H new ATOM 0 HE2 LYS A 7 59.732 -2.350 41.451 1.00 0.00 H new ATOM 0 HE3 LYS A 7 58.527 -2.656 40.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 60.697 -2.807 39.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 59.943 -1.420 38.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 61.130 -1.271 39.839 1.00 0.00 H new ATOM 134 N ALA A 8 58.043 2.255 38.250 1.00 0.00 N ATOM 135 CA ALA A 8 56.788 2.013 37.559 1.00 0.00 C ATOM 136 C ALA A 8 57.057 1.197 36.293 1.00 0.00 C ATOM 137 O ALA A 8 56.962 1.717 35.183 1.00 0.00 O ATOM 138 CB ALA A 8 56.105 3.349 37.257 1.00 0.00 C ATOM 0 H ALA A 8 58.846 2.402 37.638 1.00 0.00 H new ATOM 0 HA ALA A 8 56.110 1.435 38.187 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.164 3.167 36.739 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.909 3.877 38.190 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.755 3.956 36.627 1.00 0.00 H new ATOM 144 N GLU A 9 57.387 -0.069 36.503 1.00 0.00 N ATOM 145 CA GLU A 9 57.671 -0.962 35.393 1.00 0.00 C ATOM 146 C GLU A 9 56.403 -1.711 34.976 1.00 0.00 C ATOM 147 O GLU A 9 56.476 -2.830 34.471 1.00 0.00 O ATOM 148 CB GLU A 9 58.793 -1.940 35.748 1.00 0.00 C ATOM 149 CG GLU A 9 58.317 -2.970 36.775 1.00 0.00 C ATOM 150 CD GLU A 9 59.301 -4.138 36.876 1.00 0.00 C ATOM 151 OE1 GLU A 9 60.498 -3.966 36.600 1.00 0.00 O ATOM 152 OE2 GLU A 9 58.783 -5.256 37.257 1.00 0.00 O ATOM 0 H GLU A 9 57.464 -0.497 37.426 1.00 0.00 H new ATOM 0 HA GLU A 9 58.010 -0.362 34.548 1.00 0.00 H new ATOM 0 HB2 GLU A 9 59.134 -2.450 34.847 1.00 0.00 H new ATOM 0 HB3 GLU A 9 59.646 -1.391 36.146 1.00 0.00 H new ATOM 0 HG2 GLU A 9 58.210 -2.494 37.750 1.00 0.00 H new ATOM 0 HG3 GLU A 9 57.332 -3.343 36.492 1.00 0.00 H new ATOM 160 N LYS A 10 55.270 -1.062 35.203 1.00 0.00 N ATOM 161 CA LYS A 10 53.988 -1.652 34.858 1.00 0.00 C ATOM 162 C LYS A 10 53.263 -0.742 33.864 1.00 0.00 C ATOM 163 O LYS A 10 52.680 -1.218 32.892 1.00 0.00 O ATOM 164 CB LYS A 10 53.178 -1.951 36.121 1.00 0.00 C ATOM 165 CG LYS A 10 53.235 -0.777 37.100 1.00 0.00 C ATOM 166 CD LYS A 10 52.285 -0.999 38.279 1.00 0.00 C ATOM 167 CE LYS A 10 50.826 -0.872 37.838 1.00 0.00 C ATOM 168 NZ LYS A 10 50.225 -2.210 37.645 1.00 0.00 N ATOM 0 H LYS A 10 55.214 -0.134 35.622 1.00 0.00 H new ATOM 0 HA LYS A 10 54.132 -2.613 34.365 1.00 0.00 H new ATOM 0 HB2 LYS A 10 52.141 -2.155 35.853 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.566 -2.849 36.602 1.00 0.00 H new ATOM 0 HG2 LYS A 10 54.254 -0.655 37.467 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.970 0.145 36.583 1.00 0.00 H new ATOM 0 HD2 LYS A 10 52.455 -1.987 38.707 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.496 -0.272 39.063 1.00 0.00 H new ATOM 0 HE2 LYS A 10 50.261 -0.317 38.587 1.00 0.00 H new ATOM 0 HE3 LYS A 10 50.769 -0.304 36.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 49.603 -2.194 36.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 50.979 -2.912 37.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 49.670 -2.466 38.487 1.00 0.00 H new ATOM 181 N HIS A 11 53.325 0.552 34.143 1.00 0.00 N ATOM 182 CA HIS A 11 52.682 1.533 33.285 1.00 0.00 C ATOM 183 C HIS A 11 53.407 1.593 31.940 1.00 0.00 C ATOM 184 O HIS A 11 54.519 1.083 31.806 1.00 0.00 O ATOM 185 CB HIS A 11 52.607 2.895 33.979 1.00 0.00 C ATOM 186 CG HIS A 11 51.329 3.121 34.752 1.00 0.00 C ATOM 187 ND1 HIS A 11 51.280 3.123 36.135 1.00 0.00 N ATOM 188 CD2 HIS A 11 50.056 3.353 34.321 1.00 0.00 C ATOM 189 CE1 HIS A 11 50.029 3.346 36.509 1.00 0.00 C ATOM 190 NE2 HIS A 11 49.272 3.487 35.383 1.00 0.00 N ATOM 0 H HIS A 11 53.810 0.944 34.950 1.00 0.00 H new ATOM 0 HA HIS A 11 51.653 1.232 33.090 1.00 0.00 H new ATOM 0 HB2 HIS A 11 53.453 2.992 34.659 1.00 0.00 H new ATOM 0 HB3 HIS A 11 52.710 3.680 33.229 1.00 0.00 H new ATOM 0 HD2 HIS A 11 49.740 3.417 33.290 1.00 0.00 H new ATOM 0 HE1 HIS A 11 49.671 3.406 37.526 1.00 0.00 H new ATOM 0 HE2 HIS A 11 48.268 3.666 35.361 1.00 0.00 H new ATOM 198 N VAL A 12 52.749 2.220 30.976 1.00 0.00 N ATOM 199 CA VAL A 12 53.317 2.353 29.645 1.00 0.00 C ATOM 200 C VAL A 12 53.337 3.830 29.249 1.00 0.00 C ATOM 201 O VAL A 12 52.313 4.384 28.851 1.00 0.00 O ATOM 202 CB VAL A 12 52.543 1.479 28.656 1.00 0.00 C ATOM 203 CG1 VAL A 12 52.918 0.004 28.818 1.00 0.00 C ATOM 204 CG2 VAL A 12 51.035 1.682 28.809 1.00 0.00 C ATOM 0 H VAL A 12 51.827 2.642 31.090 1.00 0.00 H new ATOM 0 HA VAL A 12 54.348 1.999 29.633 1.00 0.00 H new ATOM 0 HB VAL A 12 52.821 1.786 27.648 1.00 0.00 H new ATOM 0 HG11 VAL A 12 52.354 -0.595 28.103 1.00 0.00 H new ATOM 0 HG12 VAL A 12 53.985 -0.122 28.635 1.00 0.00 H new ATOM 0 HG13 VAL A 12 52.682 -0.322 29.831 1.00 0.00 H new ATOM 0 HG21 VAL A 12 50.508 1.049 28.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 50.733 1.415 29.822 1.00 0.00 H new ATOM 0 HG23 VAL A 12 50.787 2.727 28.620 1.00 0.00 H new ATOM 214 N HIS A 13 54.514 4.427 29.372 1.00 0.00 N ATOM 215 CA HIS A 13 54.680 5.830 29.032 1.00 0.00 C ATOM 216 C HIS A 13 55.955 6.010 28.205 1.00 0.00 C ATOM 217 O HIS A 13 56.945 6.552 28.694 1.00 0.00 O ATOM 218 CB HIS A 13 54.662 6.700 30.291 1.00 0.00 C ATOM 219 CG HIS A 13 55.765 6.383 31.273 1.00 0.00 C ATOM 220 ND1 HIS A 13 55.969 5.114 31.785 1.00 0.00 N ATOM 221 CD2 HIS A 13 56.720 7.182 31.829 1.00 0.00 C ATOM 222 CE1 HIS A 13 57.003 5.159 32.613 1.00 0.00 C ATOM 223 NE2 HIS A 13 57.467 6.441 32.639 1.00 0.00 N ATOM 0 H HIS A 13 55.361 3.965 29.702 1.00 0.00 H new ATOM 0 HA HIS A 13 53.841 6.161 28.420 1.00 0.00 H new ATOM 0 HB2 HIS A 13 54.740 7.747 29.998 1.00 0.00 H new ATOM 0 HB3 HIS A 13 53.700 6.580 30.790 1.00 0.00 H new ATOM 0 HD2 HIS A 13 56.847 8.238 31.642 1.00 0.00 H new ATOM 0 HE1 HIS A 13 57.407 4.326 33.170 1.00 0.00 H new ATOM 0 HE2 HIS A 13 58.258 6.776 33.190 1.00 0.00 H new ATOM 231 N ASN A 14 55.889 5.544 26.967 1.00 0.00 N ATOM 232 CA ASN A 14 57.025 5.647 26.067 1.00 0.00 C ATOM 233 C ASN A 14 56.920 6.946 25.265 1.00 0.00 C ATOM 234 O ASN A 14 57.854 7.319 24.556 1.00 0.00 O ATOM 235 CB ASN A 14 57.051 4.481 25.077 1.00 0.00 C ATOM 236 CG ASN A 14 57.392 3.168 25.785 1.00 0.00 C ATOM 237 OD1 ASN A 14 58.545 2.815 25.972 1.00 0.00 O ATOM 238 ND2 ASN A 14 56.329 2.466 26.166 1.00 0.00 N ATOM 0 H ASN A 14 55.066 5.094 26.566 1.00 0.00 H new ATOM 0 HA ASN A 14 57.934 5.630 26.669 1.00 0.00 H new ATOM 0 HB2 ASN A 14 56.081 4.393 24.588 1.00 0.00 H new ATOM 0 HB3 ASN A 14 57.785 4.679 24.296 1.00 0.00 H new ATOM 0 HD21 ASN A 14 56.452 1.574 26.646 1.00 0.00 H new ATOM 0 HD22 ASN A 14 55.391 2.819 25.978 1.00 0.00 H new ATOM 245 N PHE A 15 55.776 7.599 25.405 1.00 0.00 N ATOM 246 CA PHE A 15 55.537 8.848 24.702 1.00 0.00 C ATOM 247 C PHE A 15 55.595 8.645 23.187 1.00 0.00 C ATOM 248 O PHE A 15 56.380 9.296 22.499 1.00 0.00 O ATOM 249 CB PHE A 15 56.648 9.815 25.118 1.00 0.00 C ATOM 250 CG PHE A 15 56.322 11.286 24.857 1.00 0.00 C ATOM 251 CD1 PHE A 15 55.574 11.986 25.751 1.00 0.00 C ATOM 252 CD2 PHE A 15 56.781 11.895 23.730 1.00 0.00 C ATOM 253 CE1 PHE A 15 55.272 13.352 25.509 1.00 0.00 C ATOM 254 CE2 PHE A 15 56.478 13.261 23.488 1.00 0.00 C ATOM 255 CZ PHE A 15 55.730 13.961 24.382 1.00 0.00 C ATOM 0 H PHE A 15 55.004 7.287 25.995 1.00 0.00 H new ATOM 0 HA PHE A 15 54.548 9.232 24.952 1.00 0.00 H new ATOM 0 HB2 PHE A 15 56.853 9.682 26.180 1.00 0.00 H new ATOM 0 HB3 PHE A 15 57.561 9.555 24.582 1.00 0.00 H new ATOM 0 HD1 PHE A 15 55.209 11.503 26.645 1.00 0.00 H new ATOM 0 HD2 PHE A 15 57.376 11.340 23.020 1.00 0.00 H new ATOM 0 HE1 PHE A 15 54.679 13.908 26.220 1.00 0.00 H new ATOM 0 HE2 PHE A 15 56.842 13.744 22.593 1.00 0.00 H new ATOM 0 HZ PHE A 15 55.500 15.000 24.198 1.00 0.00 H new ATOM 265 N MET A 16 54.753 7.739 22.711 1.00 0.00 N ATOM 266 CA MET A 16 54.698 7.441 21.290 1.00 0.00 C ATOM 267 C MET A 16 53.678 6.339 20.999 1.00 0.00 C ATOM 268 O MET A 16 53.007 6.365 19.968 1.00 0.00 O ATOM 269 CB MET A 16 56.081 6.997 20.808 1.00 0.00 C ATOM 270 CG MET A 16 56.701 5.989 21.776 1.00 0.00 C ATOM 271 SD MET A 16 58.102 5.189 21.010 1.00 0.00 S ATOM 272 CE MET A 16 59.387 5.647 22.160 1.00 0.00 C ATOM 0 H MET A 16 54.103 7.201 23.285 1.00 0.00 H new ATOM 0 HA MET A 16 54.390 8.343 20.761 1.00 0.00 H new ATOM 0 HB2 MET A 16 55.999 6.551 19.817 1.00 0.00 H new ATOM 0 HB3 MET A 16 56.733 7.865 20.714 1.00 0.00 H new ATOM 0 HG2 MET A 16 57.015 6.495 22.689 1.00 0.00 H new ATOM 0 HG3 MET A 16 55.959 5.244 22.063 1.00 0.00 H new ATOM 0 HE1 MET A 16 60.331 5.755 21.626 1.00 0.00 H new ATOM 0 HE2 MET A 16 59.129 6.593 22.636 1.00 0.00 H new ATOM 0 HE3 MET A 16 59.487 4.873 22.921 1.00 0.00 H new ATOM 282 N MET A 17 53.591 5.397 21.927 1.00 0.00 N ATOM 283 CA MET A 17 52.664 4.288 21.783 1.00 0.00 C ATOM 284 C MET A 17 51.335 4.758 21.187 1.00 0.00 C ATOM 285 O MET A 17 50.727 4.053 20.384 1.00 0.00 O ATOM 286 CB MET A 17 52.413 3.651 23.151 1.00 0.00 C ATOM 287 CG MET A 17 53.216 2.359 23.310 1.00 0.00 C ATOM 288 SD MET A 17 52.125 0.948 23.232 1.00 0.00 S ATOM 289 CE MET A 17 52.829 -0.060 24.526 1.00 0.00 C ATOM 0 H MET A 17 54.148 5.379 22.782 1.00 0.00 H new ATOM 0 HA MET A 17 53.105 3.556 21.107 1.00 0.00 H new ATOM 0 HB2 MET A 17 52.687 4.353 23.939 1.00 0.00 H new ATOM 0 HB3 MET A 17 51.350 3.439 23.268 1.00 0.00 H new ATOM 0 HG2 MET A 17 53.969 2.290 22.525 1.00 0.00 H new ATOM 0 HG3 MET A 17 53.747 2.366 24.262 1.00 0.00 H new ATOM 0 HE1 MET A 17 52.263 -0.988 24.613 1.00 0.00 H new ATOM 0 HE2 MET A 17 53.867 -0.289 24.285 1.00 0.00 H new ATOM 0 HE3 MET A 17 52.787 0.480 25.472 1.00 0.00 H new ATOM 299 N ASP A 18 50.924 5.947 21.605 1.00 0.00 N ATOM 300 CA ASP A 18 49.678 6.519 21.123 1.00 0.00 C ATOM 301 C ASP A 18 49.492 7.910 21.732 1.00 0.00 C ATOM 302 O ASP A 18 49.098 8.036 22.891 1.00 0.00 O ATOM 303 CB ASP A 18 48.481 5.659 21.533 1.00 0.00 C ATOM 304 CG ASP A 18 48.480 5.207 22.995 1.00 0.00 C ATOM 305 OD1 ASP A 18 49.386 4.489 23.442 1.00 0.00 O ATOM 306 OD2 ASP A 18 47.482 5.630 23.695 1.00 0.00 O ATOM 0 H ASP A 18 51.431 6.529 22.271 1.00 0.00 H new ATOM 0 HA ASP A 18 49.729 6.570 20.035 1.00 0.00 H new ATOM 0 HB2 ASP A 18 47.567 6.221 21.341 1.00 0.00 H new ATOM 0 HB3 ASP A 18 48.452 4.776 20.895 1.00 0.00 H new ATOM 312 N THR A 19 49.783 8.919 20.924 1.00 0.00 N ATOM 313 CA THR A 19 49.653 10.296 21.370 1.00 0.00 C ATOM 314 C THR A 19 48.194 10.750 21.279 1.00 0.00 C ATOM 315 O THR A 19 47.697 11.435 22.172 1.00 0.00 O ATOM 316 CB THR A 19 50.609 11.154 20.539 1.00 0.00 C ATOM 317 OG1 THR A 19 50.693 12.379 21.262 1.00 0.00 O ATOM 318 CG2 THR A 19 50.011 11.558 19.190 1.00 0.00 C ATOM 0 H THR A 19 50.108 8.811 19.963 1.00 0.00 H new ATOM 0 HA THR A 19 49.929 10.400 22.419 1.00 0.00 H new ATOM 0 HB THR A 19 51.538 10.608 20.375 1.00 0.00 H new ATOM 0 HG1 THR A 19 51.295 12.995 20.794 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.730 12.165 18.640 1.00 0.00 H new ATOM 0 HG22 THR A 19 49.776 10.663 18.613 1.00 0.00 H new ATOM 0 HG23 THR A 19 49.100 12.134 19.354 1.00 0.00 H new ATOM 326 N GLN A 20 47.550 10.349 20.193 1.00 0.00 N ATOM 327 CA GLN A 20 46.158 10.706 19.974 1.00 0.00 C ATOM 328 C GLN A 20 45.690 10.202 18.608 1.00 0.00 C ATOM 329 O GLN A 20 45.493 10.992 17.685 1.00 0.00 O ATOM 330 CB GLN A 20 45.953 12.216 20.102 1.00 0.00 C ATOM 331 CG GLN A 20 44.808 12.535 21.066 1.00 0.00 C ATOM 332 CD GLN A 20 43.535 12.904 20.301 1.00 0.00 C ATOM 333 OE1 GLN A 20 42.554 12.179 20.291 1.00 0.00 O ATOM 334 NE2 GLN A 20 43.605 14.069 19.664 1.00 0.00 N ATOM 0 H GLN A 20 47.966 9.781 19.455 1.00 0.00 H new ATOM 0 HA GLN A 20 45.554 10.225 20.743 1.00 0.00 H new ATOM 0 HB2 GLN A 20 46.872 12.682 20.457 1.00 0.00 H new ATOM 0 HB3 GLN A 20 45.737 12.642 19.122 1.00 0.00 H new ATOM 0 HG2 GLN A 20 44.616 11.674 21.706 1.00 0.00 H new ATOM 0 HG3 GLN A 20 45.096 13.359 21.719 1.00 0.00 H new ATOM 0 HE21 GLN A 20 44.457 14.627 19.714 1.00 0.00 H new ATOM 0 HE22 GLN A 20 42.806 14.405 19.126 1.00 0.00 H new ATOM 343 N LEU A 21 45.524 8.891 18.520 1.00 0.00 N ATOM 344 CA LEU A 21 45.083 8.273 17.282 1.00 0.00 C ATOM 345 C LEU A 21 45.686 9.028 16.096 1.00 0.00 C ATOM 346 O LEU A 21 45.072 9.954 15.568 1.00 0.00 O ATOM 347 CB LEU A 21 43.556 8.185 17.242 1.00 0.00 C ATOM 348 CG LEU A 21 42.805 9.516 17.305 1.00 0.00 C ATOM 349 CD1 LEU A 21 42.503 10.043 15.901 1.00 0.00 C ATOM 350 CD2 LEU A 21 41.539 9.392 18.156 1.00 0.00 C ATOM 0 H LEU A 21 45.687 8.239 19.287 1.00 0.00 H new ATOM 0 HA LEU A 21 45.441 7.245 17.221 1.00 0.00 H new ATOM 0 HB2 LEU A 21 43.266 7.670 16.326 1.00 0.00 H new ATOM 0 HB3 LEU A 21 43.226 7.565 18.075 1.00 0.00 H new ATOM 0 HG LEU A 21 43.449 10.248 17.791 1.00 0.00 H new ATOM 0 HD11 LEU A 21 41.969 10.990 15.975 1.00 0.00 H new ATOM 0 HD12 LEU A 21 43.437 10.195 15.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 41.887 9.320 15.366 1.00 0.00 H new ATOM 0 HD21 LEU A 21 41.024 10.352 18.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 40.881 8.640 17.721 1.00 0.00 H new ATOM 0 HD23 LEU A 21 41.809 9.095 19.169 1.00 0.00 H new ATOM 362 N THR A 22 46.883 8.606 15.714 1.00 0.00 N ATOM 363 CA THR A 22 47.576 9.231 14.601 1.00 0.00 C ATOM 364 C THR A 22 46.878 8.896 13.281 1.00 0.00 C ATOM 365 O THR A 22 46.316 9.776 12.631 1.00 0.00 O ATOM 366 CB THR A 22 49.039 8.786 14.644 1.00 0.00 C ATOM 367 OG1 THR A 22 49.606 9.558 15.700 1.00 0.00 O ATOM 368 CG2 THR A 22 49.821 9.220 13.403 1.00 0.00 C ATOM 0 H THR A 22 47.390 7.839 16.156 1.00 0.00 H new ATOM 0 HA THR A 22 47.549 10.318 14.680 1.00 0.00 H new ATOM 0 HB THR A 22 49.085 7.701 14.740 1.00 0.00 H new ATOM 0 HG1 THR A 22 50.554 9.331 15.798 1.00 0.00 H new ATOM 0 HG21 THR A 22 50.853 8.879 13.485 1.00 0.00 H new ATOM 0 HG22 THR A 22 49.364 8.784 12.514 1.00 0.00 H new ATOM 0 HG23 THR A 22 49.804 10.307 13.324 1.00 0.00 H new ATOM 376 N LYS A 23 46.937 7.621 12.925 1.00 0.00 N ATOM 377 CA LYS A 23 46.318 7.158 11.695 1.00 0.00 C ATOM 378 C LYS A 23 45.749 5.755 11.912 1.00 0.00 C ATOM 379 O LYS A 23 45.967 5.148 12.959 1.00 0.00 O ATOM 380 CB LYS A 23 47.306 7.248 10.530 1.00 0.00 C ATOM 381 CG LYS A 23 48.366 6.149 10.625 1.00 0.00 C ATOM 382 CD LYS A 23 49.755 6.745 10.859 1.00 0.00 C ATOM 383 CE LYS A 23 50.637 6.585 9.619 1.00 0.00 C ATOM 384 NZ LYS A 23 50.993 5.162 9.417 1.00 0.00 N ATOM 0 H LYS A 23 47.404 6.894 13.467 1.00 0.00 H new ATOM 0 HA LYS A 23 45.482 7.803 11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 23 46.769 7.160 9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 23 47.789 8.225 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 23 48.117 5.468 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.369 5.561 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.663 7.802 11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 23 50.226 6.254 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 23 50.113 6.963 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 23 51.543 7.181 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 52.028 5.065 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 50.618 4.595 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 50.583 4.825 8.522 1.00 0.00 H new ATOM 397 N ARG A 24 45.031 5.280 10.905 1.00 0.00 N ATOM 398 CA ARG A 24 44.429 3.959 10.972 1.00 0.00 C ATOM 399 C ARG A 24 44.823 3.133 9.746 1.00 0.00 C ATOM 400 O ARG A 24 45.171 3.688 8.705 1.00 0.00 O ATOM 401 CB ARG A 24 42.904 4.052 11.048 1.00 0.00 C ATOM 402 CG ARG A 24 42.438 4.258 12.490 1.00 0.00 C ATOM 403 CD ARG A 24 41.077 4.955 12.533 1.00 0.00 C ATOM 404 NE ARG A 24 40.617 5.085 13.934 1.00 0.00 N ATOM 405 CZ ARG A 24 39.324 5.209 14.298 1.00 0.00 C ATOM 406 NH1 ARG A 24 38.347 5.221 13.365 1.00 0.00 N ATOM 407 NH2 ARG A 24 39.027 5.319 15.579 1.00 0.00 N ATOM 0 H ARG A 24 44.852 5.786 10.038 1.00 0.00 H new ATOM 0 HA ARG A 24 44.797 3.472 11.875 1.00 0.00 H new ATOM 0 HB2 ARG A 24 42.555 4.878 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 24 42.460 3.142 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 24 42.373 3.295 12.996 1.00 0.00 H new ATOM 0 HG3 ARG A 24 43.173 4.854 13.032 1.00 0.00 H new ATOM 0 HD2 ARG A 24 41.150 5.940 12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 24 40.350 4.386 11.954 1.00 0.00 H new ATOM 0 HE ARG A 24 41.322 5.081 14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 24 38.585 5.136 12.377 1.00 0.00 H new ATOM 0 HH12 ARG A 24 37.372 5.315 13.649 1.00 0.00 H new ATOM 0 HH21 ARG A 24 39.770 5.310 16.277 1.00 0.00 H new ATOM 0 HH22 ARG A 24 38.054 5.414 15.871 1.00 0.00 H new ATOM 420 N VAL A 25 44.754 1.820 9.910 1.00 0.00 N ATOM 421 CA VAL A 25 45.099 0.912 8.829 1.00 0.00 C ATOM 422 C VAL A 25 46.453 1.315 8.243 1.00 0.00 C ATOM 423 O VAL A 25 46.648 1.263 7.029 1.00 0.00 O ATOM 424 CB VAL A 25 43.979 0.889 7.787 1.00 0.00 C ATOM 425 CG1 VAL A 25 44.387 0.070 6.561 1.00 0.00 C ATOM 426 CG2 VAL A 25 42.678 0.359 8.392 1.00 0.00 C ATOM 0 H VAL A 25 44.464 1.363 10.775 1.00 0.00 H new ATOM 0 HA VAL A 25 45.197 -0.107 9.203 1.00 0.00 H new ATOM 0 HB VAL A 25 43.804 1.914 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 25 43.573 0.070 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 25 45.276 0.510 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 44.603 -0.955 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 25 41.898 0.353 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 25 42.834 -0.655 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 25 42.373 1.001 9.218 1.00 0.00 H new ATOM 436 N LYS A 26 47.353 1.709 9.132 1.00 0.00 N ATOM 437 CA LYS A 26 48.684 2.121 8.717 1.00 0.00 C ATOM 438 C LYS A 26 48.567 3.247 7.688 1.00 0.00 C ATOM 439 O LYS A 26 49.442 3.411 6.839 1.00 0.00 O ATOM 440 CB LYS A 26 49.488 0.917 8.222 1.00 0.00 C ATOM 441 CG LYS A 26 49.682 -0.110 9.340 1.00 0.00 C ATOM 442 CD LYS A 26 48.340 -0.697 9.783 1.00 0.00 C ATOM 443 CE LYS A 26 48.508 -2.136 10.276 1.00 0.00 C ATOM 444 NZ LYS A 26 47.351 -2.962 9.866 1.00 0.00 N ATOM 0 H LYS A 26 47.187 1.752 10.138 1.00 0.00 H new ATOM 0 HA LYS A 26 49.241 2.520 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 26 48.973 0.452 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 26 50.459 1.249 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 50.337 -0.910 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 26 50.176 0.361 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 26 47.915 -0.084 10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 26 47.636 -0.673 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 26 49.427 -2.560 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 26 48.603 -2.146 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 47.481 -3.935 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 46.480 -2.565 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 47.278 -2.967 8.829 1.00 0.00 H new ATOM 457 N ASN A 27 47.478 3.994 7.797 1.00 0.00 N ATOM 458 CA ASN A 27 47.235 5.101 6.887 1.00 0.00 C ATOM 459 C ASN A 27 47.130 4.565 5.457 1.00 0.00 C ATOM 460 O ASN A 27 48.138 4.438 4.763 1.00 0.00 O ATOM 461 CB ASN A 27 48.382 6.112 6.930 1.00 0.00 C ATOM 462 CG ASN A 27 48.312 7.073 5.742 1.00 0.00 C ATOM 463 OD1 ASN A 27 47.348 7.797 5.552 1.00 0.00 O ATOM 464 ND2 ASN A 27 49.383 7.039 4.955 1.00 0.00 N ATOM 0 H ASN A 27 46.754 3.854 8.502 1.00 0.00 H new ATOM 0 HA ASN A 27 46.311 5.592 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 27 48.339 6.676 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.336 5.585 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 27 49.432 7.643 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 27 50.155 6.409 5.172 1.00 0.00 H new ATOM 471 N ALA A 28 45.903 4.266 5.060 1.00 0.00 N ATOM 472 CA ALA A 28 45.653 3.747 3.726 1.00 0.00 C ATOM 473 C ALA A 28 44.242 4.142 3.286 1.00 0.00 C ATOM 474 O ALA A 28 43.669 3.517 2.395 1.00 0.00 O ATOM 475 CB ALA A 28 45.864 2.232 3.720 1.00 0.00 C ATOM 0 H ALA A 28 45.070 4.373 5.639 1.00 0.00 H new ATOM 0 HA ALA A 28 46.353 4.176 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.676 1.842 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.890 2.006 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.176 1.766 4.426 1.00 0.00 H new ATOM 481 N ALA A 29 43.723 5.176 3.930 1.00 0.00 N ATOM 482 CA ALA A 29 42.390 5.662 3.616 1.00 0.00 C ATOM 483 C ALA A 29 41.364 4.908 4.465 1.00 0.00 C ATOM 484 O ALA A 29 40.278 4.583 3.990 1.00 0.00 O ATOM 485 CB ALA A 29 42.131 5.508 2.116 1.00 0.00 C ATOM 0 H ALA A 29 44.202 5.692 4.669 1.00 0.00 H new ATOM 0 HA ALA A 29 42.301 6.722 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 29 41.131 5.872 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.869 6.085 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 29 42.208 4.457 1.839 1.00 0.00 H new ATOM 491 N ALA A 30 41.746 4.652 5.708 1.00 0.00 N ATOM 492 CA ALA A 30 40.874 3.942 6.628 1.00 0.00 C ATOM 493 C ALA A 30 39.507 4.628 6.659 1.00 0.00 C ATOM 494 O ALA A 30 39.345 5.669 7.293 1.00 0.00 O ATOM 495 CB ALA A 30 41.528 3.884 8.010 1.00 0.00 C ATOM 0 H ALA A 30 42.648 4.924 6.099 1.00 0.00 H new ATOM 0 HA ALA A 30 40.721 2.915 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.874 3.351 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.482 3.362 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.694 4.897 8.377 1.00 0.00 H new ATOM 501 N ASN A 31 38.558 4.017 5.965 1.00 0.00 N ATOM 502 CA ASN A 31 37.210 4.556 5.904 1.00 0.00 C ATOM 503 C ASN A 31 37.248 5.942 5.257 1.00 0.00 C ATOM 504 O ASN A 31 36.282 6.699 5.345 1.00 0.00 O ATOM 505 CB ASN A 31 36.613 4.705 7.305 1.00 0.00 C ATOM 506 CG ASN A 31 36.737 3.401 8.095 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.718 2.310 7.550 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.864 3.573 9.408 1.00 0.00 N ATOM 0 H ASN A 31 38.696 3.153 5.440 1.00 0.00 H new ATOM 0 HA ASN A 31 36.598 3.867 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.123 5.507 7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.564 4.990 7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.953 2.763 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.873 4.514 9.801 1.00 0.00 H new ATOM 515 N VAL A 32 38.373 6.232 4.621 1.00 0.00 N ATOM 516 CA VAL A 32 38.549 7.514 3.959 1.00 0.00 C ATOM 517 C VAL A 32 38.491 8.633 5.000 1.00 0.00 C ATOM 518 O VAL A 32 38.392 9.808 4.649 1.00 0.00 O ATOM 519 CB VAL A 32 37.510 7.676 2.848 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.845 6.338 2.519 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.467 8.730 3.223 1.00 0.00 C ATOM 0 H VAL A 32 39.172 5.602 4.550 1.00 0.00 H new ATOM 0 HA VAL A 32 39.527 7.566 3.481 1.00 0.00 H new ATOM 0 HB VAL A 32 38.028 8.021 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.111 6.482 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.602 5.627 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.348 5.951 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.740 8.826 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.957 8.428 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.960 9.689 3.383 1.00 0.00 H new ATOM 531 N LEU A 33 38.555 8.229 6.261 1.00 0.00 N ATOM 532 CA LEU A 33 38.510 9.183 7.356 1.00 0.00 C ATOM 533 C LEU A 33 37.054 9.553 7.646 1.00 0.00 C ATOM 534 O LEU A 33 36.615 9.507 8.793 1.00 0.00 O ATOM 535 CB LEU A 33 39.402 10.389 7.052 1.00 0.00 C ATOM 536 CG LEU A 33 39.902 11.176 8.265 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.992 10.403 9.009 1.00 0.00 C ATOM 538 CD2 LEU A 33 40.368 12.575 7.857 1.00 0.00 C ATOM 0 H LEU A 33 38.638 7.254 6.548 1.00 0.00 H new ATOM 0 HA LEU A 33 38.913 8.738 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.267 10.043 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.850 11.070 6.404 1.00 0.00 H new ATOM 0 HG LEU A 33 39.069 11.303 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.330 10.985 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 40.592 9.449 9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.833 10.223 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.718 13.113 8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 33 41.181 12.492 7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.537 13.118 7.407 1.00 0.00 H new ATOM 550 N ARG A 34 36.346 9.911 6.585 1.00 0.00 N ATOM 551 CA ARG A 34 34.948 10.289 6.711 1.00 0.00 C ATOM 552 C ARG A 34 34.120 9.100 7.202 1.00 0.00 C ATOM 553 O ARG A 34 33.389 9.212 8.186 1.00 0.00 O ATOM 554 CB ARG A 34 34.386 10.775 5.374 1.00 0.00 C ATOM 555 CG ARG A 34 33.249 11.776 5.588 1.00 0.00 C ATOM 556 CD ARG A 34 32.598 12.159 4.258 1.00 0.00 C ATOM 557 NE ARG A 34 33.433 13.159 3.555 1.00 0.00 N ATOM 558 CZ ARG A 34 34.447 12.846 2.721 1.00 0.00 C ATOM 559 NH1 ARG A 34 34.760 11.555 2.478 1.00 0.00 N ATOM 560 NH2 ARG A 34 35.127 13.820 2.146 1.00 0.00 N ATOM 0 H ARG A 34 36.714 9.947 5.634 1.00 0.00 H new ATOM 0 HA ARG A 34 34.888 11.102 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.180 11.240 4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 34 34.023 9.924 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.500 11.345 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 34 33.634 12.670 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.476 11.273 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 34 31.602 12.565 4.435 1.00 0.00 H new ATOM 0 HE ARG A 34 33.229 14.146 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 34 34.229 10.808 2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 34 35.528 11.327 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 34 34.883 14.792 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 34 35.896 13.600 1.513 1.00 0.00 H new ATOM 573 N GLU A 35 34.261 7.988 6.496 1.00 0.00 N ATOM 574 CA GLU A 35 33.535 6.780 6.848 1.00 0.00 C ATOM 575 C GLU A 35 32.062 6.913 6.456 1.00 0.00 C ATOM 576 O GLU A 35 31.180 6.447 7.176 1.00 0.00 O ATOM 577 CB GLU A 35 33.680 6.468 8.338 1.00 0.00 C ATOM 578 CG GLU A 35 35.112 6.718 8.815 1.00 0.00 C ATOM 579 CD GLU A 35 35.140 7.729 9.963 1.00 0.00 C ATOM 580 OE1 GLU A 35 34.104 8.328 10.287 1.00 0.00 O ATOM 581 OE2 GLU A 35 36.290 7.882 10.527 1.00 0.00 O ATOM 0 H GLU A 35 34.868 7.898 5.681 1.00 0.00 H new ATOM 0 HA GLU A 35 33.965 5.946 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.989 7.086 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 35 33.407 5.429 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.559 5.779 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 35 35.716 7.087 7.986 1.00 0.00 H new ATOM 589 N THR A 36 31.842 7.550 5.315 1.00 0.00 N ATOM 590 CA THR A 36 30.491 7.750 4.819 1.00 0.00 C ATOM 591 C THR A 36 30.064 6.569 3.945 1.00 0.00 C ATOM 592 O THR A 36 29.381 6.751 2.938 1.00 0.00 O ATOM 593 CB THR A 36 30.450 9.093 4.087 1.00 0.00 C ATOM 594 OG1 THR A 36 31.089 9.997 4.984 1.00 0.00 O ATOM 595 CG2 THR A 36 29.029 9.643 3.953 1.00 0.00 C ATOM 0 H THR A 36 32.576 7.934 4.720 1.00 0.00 H new ATOM 0 HA THR A 36 29.771 7.787 5.636 1.00 0.00 H new ATOM 0 HB THR A 36 30.891 8.980 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.465 10.713 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 36 29.056 10.597 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 36 28.417 8.936 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.600 9.788 4.944 1.00 0.00 H new ATOM 603 N TRP A 37 30.483 5.383 4.362 1.00 0.00 N ATOM 604 CA TRP A 37 30.152 4.172 3.631 1.00 0.00 C ATOM 605 C TRP A 37 29.894 3.060 4.649 1.00 0.00 C ATOM 606 O TRP A 37 29.288 2.041 4.321 1.00 0.00 O ATOM 607 CB TRP A 37 31.252 3.820 2.627 1.00 0.00 C ATOM 608 CG TRP A 37 32.072 5.023 2.155 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.311 5.374 2.526 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.657 6.025 1.203 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.724 6.524 1.885 1.00 0.00 N ATOM 612 CE2 TRP A 37 32.686 6.933 1.055 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.453 6.160 0.490 1.00 0.00 C ATOM 614 CZ2 TRP A 37 32.615 8.040 0.200 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.398 7.272 -0.360 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.425 8.195 -0.520 1.00 0.00 C ATOM 0 H TRP A 37 31.049 5.235 5.197 1.00 0.00 H new ATOM 0 HA TRP A 37 29.250 4.315 3.036 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.924 3.091 3.080 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.798 3.340 1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.911 4.826 3.237 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.625 6.989 1.999 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.635 5.462 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.434 8.737 0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.494 7.423 -0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.305 9.028 -1.197 1.00 0.00 H new ATOM 627 N LEU A 38 30.367 3.293 5.864 1.00 0.00 N ATOM 628 CA LEU A 38 30.195 2.323 6.933 1.00 0.00 C ATOM 629 C LEU A 38 28.936 2.669 7.731 1.00 0.00 C ATOM 630 O LEU A 38 28.379 1.815 8.419 1.00 0.00 O ATOM 631 CB LEU A 38 31.461 2.237 7.788 1.00 0.00 C ATOM 632 CG LEU A 38 32.786 2.213 7.023 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.605 1.601 5.633 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.407 3.610 6.958 1.00 0.00 C ATOM 0 H LEU A 38 30.869 4.139 6.133 1.00 0.00 H new ATOM 0 HA LEU A 38 30.048 1.324 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.473 3.087 8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.402 1.337 8.401 1.00 0.00 H new ATOM 0 HG LEU A 38 33.483 1.576 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.562 1.596 5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.239 0.579 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.885 2.192 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.348 3.565 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.723 4.289 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.594 3.973 7.969 1.00 0.00 H new ATOM 646 N ILE A 39 28.525 3.923 7.614 1.00 0.00 N ATOM 647 CA ILE A 39 27.343 4.392 8.316 1.00 0.00 C ATOM 648 C ILE A 39 26.178 4.501 7.329 1.00 0.00 C ATOM 649 O ILE A 39 25.082 4.015 7.601 1.00 0.00 O ATOM 650 CB ILE A 39 27.642 5.695 9.060 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.178 6.761 8.103 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.592 5.450 10.234 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.463 8.070 8.844 1.00 0.00 C ATOM 0 H ILE A 39 28.990 4.629 7.043 1.00 0.00 H new ATOM 0 HA ILE A 39 27.047 3.676 9.082 1.00 0.00 H new ATOM 0 HB ILE A 39 26.708 6.074 9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.091 6.402 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.453 6.939 7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.788 6.392 10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.136 4.747 10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.530 5.036 9.863 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.843 8.811 8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.543 8.439 9.298 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.206 7.893 9.622 1.00 0.00 H new ATOM 665 N TYR A 40 26.457 5.141 6.203 1.00 0.00 N ATOM 666 CA TYR A 40 25.447 5.321 5.175 1.00 0.00 C ATOM 667 C TYR A 40 24.063 5.526 5.795 1.00 0.00 C ATOM 668 O TYR A 40 23.342 4.561 6.046 1.00 0.00 O ATOM 669 CB TYR A 40 25.440 4.026 4.360 1.00 0.00 C ATOM 670 CG TYR A 40 25.410 2.755 5.211 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.588 2.214 5.686 1.00 0.00 C ATOM 672 CD2 TYR A 40 24.205 2.149 5.504 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.559 1.018 6.487 1.00 0.00 C ATOM 674 CE2 TYR A 40 24.177 0.953 6.306 1.00 0.00 C ATOM 675 CZ TYR A 40 25.355 0.447 6.758 1.00 0.00 C ATOM 676 OH TYR A 40 25.328 -0.683 7.515 1.00 0.00 O ATOM 0 H TYR A 40 27.368 5.541 5.980 1.00 0.00 H new ATOM 0 HA TYR A 40 25.671 6.197 4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 40 24.573 4.029 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.325 4.004 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.531 2.688 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 40 23.283 2.572 5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.473 0.584 6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 40 23.241 0.469 6.543 1.00 0.00 H new ATOM 0 HH TYR A 40 24.401 -0.979 7.628 1.00 0.00 H new ATOM 686 N LYS A 41 23.733 6.788 6.024 1.00 0.00 N ATOM 687 CA LYS A 41 22.449 7.132 6.609 1.00 0.00 C ATOM 688 C LYS A 41 21.489 7.570 5.502 1.00 0.00 C ATOM 689 O LYS A 41 20.482 6.910 5.251 1.00 0.00 O ATOM 690 CB LYS A 41 22.627 8.174 7.716 1.00 0.00 C ATOM 691 CG LYS A 41 22.793 7.501 9.080 1.00 0.00 C ATOM 692 CD LYS A 41 24.272 7.285 9.409 1.00 0.00 C ATOM 693 CE LYS A 41 24.487 7.167 10.919 1.00 0.00 C ATOM 694 NZ LYS A 41 24.524 5.745 11.327 1.00 0.00 N ATOM 0 H LYS A 41 24.333 7.586 5.815 1.00 0.00 H new ATOM 0 HA LYS A 41 22.004 6.261 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.499 8.791 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.763 8.839 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.331 8.117 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.273 6.543 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.630 6.381 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.860 8.115 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.420 7.656 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.685 7.683 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 24.398 5.676 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.760 5.227 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 25.441 5.332 11.062 1.00 0.00 H new ATOM 707 N ASN A 42 21.834 8.682 4.868 1.00 0.00 N ATOM 708 CA ASN A 42 21.015 9.216 3.793 1.00 0.00 C ATOM 709 C ASN A 42 19.590 9.435 4.304 1.00 0.00 C ATOM 710 O ASN A 42 18.798 8.496 4.368 1.00 0.00 O ATOM 711 CB ASN A 42 20.950 8.242 2.615 1.00 0.00 C ATOM 712 CG ASN A 42 22.289 8.184 1.877 1.00 0.00 C ATOM 713 OD1 ASN A 42 23.242 8.869 2.211 1.00 0.00 O ATOM 714 ND2 ASN A 42 22.308 7.332 0.856 1.00 0.00 N ATOM 0 H ASN A 42 22.670 9.228 5.079 1.00 0.00 H new ATOM 0 HA ASN A 42 21.462 10.153 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.686 7.248 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 42 20.164 8.551 1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 42 23.156 7.222 0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.475 6.789 0.630 1.00 0.00 H new ATOM 721 N THR A 43 19.307 10.681 4.656 1.00 0.00 N ATOM 722 CA THR A 43 17.991 11.036 5.159 1.00 0.00 C ATOM 723 C THR A 43 17.501 12.329 4.505 1.00 0.00 C ATOM 724 O THR A 43 16.352 12.415 4.075 1.00 0.00 O ATOM 725 CB THR A 43 18.075 11.120 6.685 1.00 0.00 C ATOM 726 OG1 THR A 43 16.831 11.698 7.070 1.00 0.00 O ATOM 727 CG2 THR A 43 19.119 12.134 7.158 1.00 0.00 C ATOM 0 H THR A 43 19.967 11.457 4.603 1.00 0.00 H new ATOM 0 HA THR A 43 17.251 10.278 4.901 1.00 0.00 H new ATOM 0 HB THR A 43 18.314 10.137 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.800 11.787 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 43 19.139 12.155 8.248 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.101 11.847 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 43 18.862 13.124 6.781 1.00 0.00 H new ATOM 735 N LYS A 44 18.397 13.304 4.451 1.00 0.00 N ATOM 736 CA LYS A 44 18.070 14.589 3.857 1.00 0.00 C ATOM 737 C LYS A 44 17.637 14.379 2.405 1.00 0.00 C ATOM 738 O LYS A 44 18.032 13.402 1.770 1.00 0.00 O ATOM 739 CB LYS A 44 19.237 15.565 4.015 1.00 0.00 C ATOM 740 CG LYS A 44 20.547 14.936 3.536 1.00 0.00 C ATOM 741 CD LYS A 44 21.183 15.774 2.425 1.00 0.00 C ATOM 742 CE LYS A 44 22.482 15.135 1.931 1.00 0.00 C ATOM 743 NZ LYS A 44 22.190 14.007 1.018 1.00 0.00 N ATOM 0 H LYS A 44 19.349 13.230 4.809 1.00 0.00 H new ATOM 0 HA LYS A 44 17.229 15.047 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.036 16.473 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 44 19.331 15.858 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.240 14.849 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 20.358 13.926 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 44 20.484 15.874 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 44 21.386 16.780 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 44 23.088 15.880 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.066 14.781 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 23.083 13.584 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.630 13.289 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.652 14.354 0.199 1.00 0.00 H new ATOM 756 N LEU A 45 16.831 15.312 1.920 1.00 0.00 N ATOM 757 CA LEU A 45 16.340 15.241 0.554 1.00 0.00 C ATOM 758 C LEU A 45 15.936 13.800 0.236 1.00 0.00 C ATOM 759 O LEU A 45 16.575 13.139 -0.582 1.00 0.00 O ATOM 760 CB LEU A 45 17.371 15.820 -0.416 1.00 0.00 C ATOM 761 CG LEU A 45 17.604 17.330 -0.326 1.00 0.00 C ATOM 762 CD1 LEU A 45 19.059 17.680 -0.642 1.00 0.00 C ATOM 763 CD2 LEU A 45 16.624 18.090 -1.222 1.00 0.00 C ATOM 0 H LEU A 45 16.506 16.121 2.449 1.00 0.00 H new ATOM 0 HA LEU A 45 15.447 15.855 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.322 15.315 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.059 15.581 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 45 17.413 17.645 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.197 18.759 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.716 17.182 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 19.302 17.349 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 45 16.811 19.161 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.759 17.777 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.602 17.875 -0.908 1.00 0.00 H new ATOM 775 N VAL A 46 14.878 13.355 0.898 1.00 0.00 N ATOM 776 CA VAL A 46 14.382 12.005 0.696 1.00 0.00 C ATOM 777 C VAL A 46 13.161 12.047 -0.225 1.00 0.00 C ATOM 778 O VAL A 46 12.907 11.101 -0.969 1.00 0.00 O ATOM 779 CB VAL A 46 14.090 11.347 2.046 1.00 0.00 C ATOM 780 CG1 VAL A 46 13.014 12.120 2.812 1.00 0.00 C ATOM 781 CG2 VAL A 46 13.688 9.882 1.867 1.00 0.00 C ATOM 0 H VAL A 46 14.351 13.906 1.575 1.00 0.00 H new ATOM 0 HA VAL A 46 15.137 11.390 0.207 1.00 0.00 H new ATOM 0 HB VAL A 46 15.006 11.374 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.826 11.631 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.354 13.140 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.094 12.140 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 46 13.486 9.438 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.792 9.823 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 46 14.499 9.339 1.382 1.00 0.00 H new ATOM 791 N LYS A 47 12.438 13.155 -0.146 1.00 0.00 N ATOM 792 CA LYS A 47 11.250 13.333 -0.963 1.00 0.00 C ATOM 793 C LYS A 47 10.199 12.296 -0.560 1.00 0.00 C ATOM 794 O LYS A 47 9.603 11.646 -1.417 1.00 0.00 O ATOM 795 CB LYS A 47 11.612 13.296 -2.449 1.00 0.00 C ATOM 796 CG LYS A 47 12.325 14.583 -2.872 1.00 0.00 C ATOM 797 CD LYS A 47 11.316 15.687 -3.195 1.00 0.00 C ATOM 798 CE LYS A 47 12.029 16.975 -3.613 1.00 0.00 C ATOM 799 NZ LYS A 47 11.954 17.983 -2.532 1.00 0.00 N ATOM 0 H LYS A 47 12.652 13.938 0.471 1.00 0.00 H new ATOM 0 HA LYS A 47 10.812 14.316 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.254 12.438 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.708 13.164 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.989 14.914 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.948 14.388 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.654 15.357 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.690 15.880 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.072 16.761 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.574 17.372 -4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.443 18.851 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.958 18.200 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.409 17.608 -1.675 1.00 0.00 H new ATOM 812 N LYS A 48 10.004 12.174 0.745 1.00 0.00 N ATOM 813 CA LYS A 48 9.036 11.228 1.271 1.00 0.00 C ATOM 814 C LYS A 48 7.665 11.510 0.653 1.00 0.00 C ATOM 815 O LYS A 48 6.880 12.281 1.201 1.00 0.00 O ATOM 816 CB LYS A 48 9.038 11.255 2.801 1.00 0.00 C ATOM 817 CG LYS A 48 8.944 12.689 3.324 1.00 0.00 C ATOM 818 CD LYS A 48 7.587 12.945 3.983 1.00 0.00 C ATOM 819 CE LYS A 48 7.608 12.540 5.458 1.00 0.00 C ATOM 820 NZ LYS A 48 6.282 12.032 5.875 1.00 0.00 N ATOM 0 H LYS A 48 10.500 12.715 1.453 1.00 0.00 H new ATOM 0 HA LYS A 48 9.308 10.210 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.200 10.670 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.948 10.787 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.742 12.870 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.091 13.390 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.330 14.001 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.813 12.384 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.365 11.773 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.886 13.396 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.314 11.762 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.567 12.775 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.032 11.202 5.301 1.00 0.00 H new ATOM 833 N ILE A 49 7.420 10.869 -0.480 1.00 0.00 N ATOM 834 CA ILE A 49 6.157 11.041 -1.179 1.00 0.00 C ATOM 835 C ILE A 49 5.010 10.608 -0.265 1.00 0.00 C ATOM 836 O ILE A 49 5.233 10.253 0.891 1.00 0.00 O ATOM 837 CB ILE A 49 6.184 10.307 -2.522 1.00 0.00 C ATOM 838 CG1 ILE A 49 6.758 8.898 -2.365 1.00 0.00 C ATOM 839 CG2 ILE A 49 6.938 11.120 -3.576 1.00 0.00 C ATOM 840 CD1 ILE A 49 5.891 7.869 -3.093 1.00 0.00 C ATOM 0 H ILE A 49 8.074 10.230 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 49 5.994 12.092 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 49 5.158 10.199 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.773 8.869 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.821 8.643 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.942 10.576 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.446 12.083 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.964 11.281 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.321 6.876 -2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.883 7.884 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.850 8.113 -4.154 1.00 0.00 H new ATOM 852 N ASP A 50 3.806 10.653 -0.817 1.00 0.00 N ATOM 853 CA ASP A 50 2.623 10.270 -0.065 1.00 0.00 C ATOM 854 C ASP A 50 2.445 8.753 -0.142 1.00 0.00 C ATOM 855 O ASP A 50 2.037 8.122 0.832 1.00 0.00 O ATOM 856 CB ASP A 50 1.367 10.924 -0.645 1.00 0.00 C ATOM 857 CG ASP A 50 0.314 11.330 0.389 1.00 0.00 C ATOM 858 OD1 ASP A 50 -0.049 10.541 1.274 1.00 0.00 O ATOM 859 OD2 ASP A 50 -0.145 12.528 0.257 1.00 0.00 O ATOM 0 H ASP A 50 3.624 10.949 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 50 2.757 10.598 0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.663 11.810 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.911 10.234 -1.355 1.00 0.00 H new ATOM 865 N HIS A 51 2.758 8.210 -1.309 1.00 0.00 N ATOM 866 CA HIS A 51 2.638 6.778 -1.526 1.00 0.00 C ATOM 867 C HIS A 51 2.730 6.476 -3.023 1.00 0.00 C ATOM 868 O HIS A 51 3.808 6.173 -3.533 1.00 0.00 O ATOM 869 CB HIS A 51 1.355 6.239 -0.890 1.00 0.00 C ATOM 870 CG HIS A 51 0.834 4.976 -1.534 1.00 0.00 C ATOM 871 ND1 HIS A 51 1.524 3.777 -1.498 1.00 0.00 N ATOM 872 CD2 HIS A 51 -0.315 4.739 -2.230 1.00 0.00 C ATOM 873 CE1 HIS A 51 0.813 2.866 -2.146 1.00 0.00 C ATOM 874 NE2 HIS A 51 -0.326 3.464 -2.599 1.00 0.00 N ATOM 0 H HIS A 51 3.095 8.736 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 51 3.463 6.261 -1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 51 1.539 6.047 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.584 7.007 -0.945 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.085 5.465 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.087 1.831 -2.290 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.065 3.007 -3.133 1.00 0.00 H new ATOM 882 N ALA A 52 1.586 6.569 -3.685 1.00 0.00 N ATOM 883 CA ALA A 52 1.525 6.309 -5.113 1.00 0.00 C ATOM 884 C ALA A 52 0.193 6.824 -5.664 1.00 0.00 C ATOM 885 O ALA A 52 -0.653 7.300 -4.908 1.00 0.00 O ATOM 886 CB ALA A 52 1.722 4.814 -5.369 1.00 0.00 C ATOM 0 H ALA A 52 0.694 6.821 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 52 2.324 6.837 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.676 4.619 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.694 4.504 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.936 4.252 -4.864 1.00 0.00 H new ATOM 892 N LYS A 53 0.049 6.712 -6.976 1.00 0.00 N ATOM 893 CA LYS A 53 -1.165 7.160 -7.636 1.00 0.00 C ATOM 894 C LYS A 53 -1.319 8.670 -7.440 1.00 0.00 C ATOM 895 O LYS A 53 -1.869 9.116 -6.434 1.00 0.00 O ATOM 896 CB LYS A 53 -2.369 6.351 -7.152 1.00 0.00 C ATOM 897 CG LYS A 53 -2.682 5.203 -8.114 1.00 0.00 C ATOM 898 CD LYS A 53 -2.814 3.877 -7.362 1.00 0.00 C ATOM 899 CE LYS A 53 -4.257 3.646 -6.909 1.00 0.00 C ATOM 900 NZ LYS A 53 -4.697 2.277 -7.259 1.00 0.00 N ATOM 0 H LYS A 53 0.753 6.317 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.103 6.982 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.167 5.952 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.238 7.003 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.607 5.415 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.892 5.124 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.495 3.057 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.153 3.879 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.335 3.795 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.914 4.377 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.678 2.137 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.642 2.147 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.081 1.583 -6.789 1.00 0.00 H new ATOM 913 N VAL A 54 -0.824 9.415 -8.418 1.00 0.00 N ATOM 914 CA VAL A 54 -0.900 10.865 -8.365 1.00 0.00 C ATOM 915 C VAL A 54 -0.425 11.445 -9.699 1.00 0.00 C ATOM 916 O VAL A 54 0.776 11.586 -9.926 1.00 0.00 O ATOM 917 CB VAL A 54 -0.104 11.388 -7.168 1.00 0.00 C ATOM 918 CG1 VAL A 54 1.316 10.819 -7.164 1.00 0.00 C ATOM 919 CG2 VAL A 54 -0.082 12.918 -7.150 1.00 0.00 C ATOM 0 H VAL A 54 -0.369 9.042 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.931 11.188 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.603 11.050 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.861 11.206 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.272 9.731 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.828 11.113 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.490 13.264 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.382 13.286 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.102 13.296 -7.083 1.00 0.00 H new ATOM 929 N ARG A 55 -1.392 11.767 -10.546 1.00 0.00 N ATOM 930 CA ARG A 55 -1.087 12.328 -11.851 1.00 0.00 C ATOM 931 C ARG A 55 -1.915 13.592 -12.091 1.00 0.00 C ATOM 932 O ARG A 55 -2.259 14.302 -11.147 1.00 0.00 O ATOM 933 CB ARG A 55 -1.374 11.320 -12.965 1.00 0.00 C ATOM 934 CG ARG A 55 -0.360 11.457 -14.103 1.00 0.00 C ATOM 935 CD ARG A 55 0.693 10.350 -14.036 1.00 0.00 C ATOM 936 NE ARG A 55 1.080 9.936 -15.403 1.00 0.00 N ATOM 937 CZ ARG A 55 0.438 8.986 -16.116 1.00 0.00 C ATOM 938 NH1 ARG A 55 -0.629 8.343 -15.596 1.00 0.00 N ATOM 939 NH2 ARG A 55 0.870 8.695 -17.329 1.00 0.00 N ATOM 0 H ARG A 55 -2.387 11.650 -10.354 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.026 12.576 -11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.339 10.308 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.382 11.475 -13.350 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.876 11.415 -15.062 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.127 12.431 -14.046 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.569 10.703 -13.492 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.299 9.495 -13.486 1.00 0.00 H new ATOM 0 HE ARG A 55 1.882 10.397 -15.833 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.956 8.574 -14.658 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.108 7.627 -16.141 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.677 9.185 -17.714 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.397 7.980 -17.881 1.00 0.00 H new ATOM 952 N LYS A 56 -2.210 13.835 -13.360 1.00 0.00 N ATOM 953 CA LYS A 56 -2.991 15.002 -13.736 1.00 0.00 C ATOM 954 C LYS A 56 -4.474 14.626 -13.775 1.00 0.00 C ATOM 955 O LYS A 56 -4.839 13.492 -13.471 1.00 0.00 O ATOM 956 CB LYS A 56 -2.472 15.594 -15.047 1.00 0.00 C ATOM 957 CG LYS A 56 -0.944 15.528 -15.111 1.00 0.00 C ATOM 958 CD LYS A 56 -0.404 16.426 -16.226 1.00 0.00 C ATOM 959 CE LYS A 56 0.095 17.759 -15.663 1.00 0.00 C ATOM 960 NZ LYS A 56 -0.548 18.891 -16.367 1.00 0.00 N ATOM 0 H LYS A 56 -1.923 13.244 -14.140 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.881 15.791 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.899 15.050 -15.890 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.799 16.630 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.522 15.836 -14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.627 14.499 -15.282 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.410 15.919 -16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.187 16.608 -16.962 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.123 17.815 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.178 17.824 -15.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.199 19.788 -15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.319 18.845 -17.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.579 18.836 -16.243 1.00 0.00 H new ATOM 973 N HIS A 57 -5.288 15.601 -14.153 1.00 0.00 N ATOM 974 CA HIS A 57 -6.723 15.386 -14.236 1.00 0.00 C ATOM 975 C HIS A 57 -7.358 16.488 -15.087 1.00 0.00 C ATOM 976 O HIS A 57 -8.205 17.239 -14.606 1.00 0.00 O ATOM 977 CB HIS A 57 -7.340 15.287 -12.839 1.00 0.00 C ATOM 978 CG HIS A 57 -7.725 13.884 -12.437 1.00 0.00 C ATOM 979 ND1 HIS A 57 -7.080 13.189 -11.429 1.00 0.00 N ATOM 980 CD2 HIS A 57 -8.697 13.054 -12.915 1.00 0.00 C ATOM 981 CE1 HIS A 57 -7.644 11.996 -11.316 1.00 0.00 C ATOM 982 NE2 HIS A 57 -8.646 11.914 -12.238 1.00 0.00 N ATOM 0 H HIS A 57 -4.982 16.541 -14.405 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.924 14.434 -14.727 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.631 15.681 -12.111 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.225 15.922 -12.798 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.390 13.286 -13.710 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.360 11.224 -10.617 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.255 11.109 -12.383 1.00 0.00 H new ATOM 990 N GLN A 58 -6.923 16.550 -16.338 1.00 0.00 N ATOM 991 CA GLN A 58 -7.439 17.547 -17.260 1.00 0.00 C ATOM 992 C GLN A 58 -8.609 16.974 -18.061 1.00 0.00 C ATOM 993 O GLN A 58 -8.491 16.748 -19.265 1.00 0.00 O ATOM 994 CB GLN A 58 -6.335 18.056 -18.190 1.00 0.00 C ATOM 995 CG GLN A 58 -5.847 19.439 -17.755 1.00 0.00 C ATOM 996 CD GLN A 58 -4.553 19.816 -18.480 1.00 0.00 C ATOM 997 OE1 GLN A 58 -3.569 19.095 -18.465 1.00 0.00 O ATOM 998 NE2 GLN A 58 -4.609 20.985 -19.113 1.00 0.00 N ATOM 0 H GLN A 58 -6.220 15.926 -16.734 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.802 18.396 -16.681 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.501 17.355 -18.188 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.709 18.103 -19.213 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.616 20.183 -17.965 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.681 19.448 -16.678 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.465 21.539 -19.085 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.796 21.327 -19.626 1.00 0.00 H new ATOM 1007 N ARG A 59 -9.713 16.756 -17.362 1.00 0.00 N ATOM 1008 CA ARG A 59 -10.905 16.214 -17.993 1.00 0.00 C ATOM 1009 C ARG A 59 -10.526 15.103 -18.975 1.00 0.00 C ATOM 1010 O ARG A 59 -10.270 15.368 -20.148 1.00 0.00 O ATOM 1011 CB ARG A 59 -11.677 17.304 -18.739 1.00 0.00 C ATOM 1012 CG ARG A 59 -13.148 17.318 -18.320 1.00 0.00 C ATOM 1013 CD ARG A 59 -14.064 17.091 -19.524 1.00 0.00 C ATOM 1014 NE ARG A 59 -14.284 18.368 -20.240 1.00 0.00 N ATOM 1015 CZ ARG A 59 -15.124 18.513 -21.287 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -15.831 17.460 -21.749 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -15.243 19.700 -21.852 1.00 0.00 N ATOM 0 H ARG A 59 -9.807 16.945 -16.364 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.542 15.808 -17.207 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.228 18.276 -18.536 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.603 17.137 -19.814 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.324 16.544 -17.573 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.387 18.273 -17.852 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.618 16.359 -20.198 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.018 16.681 -19.193 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.769 19.189 -19.923 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.733 16.546 -21.307 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.463 17.578 -22.540 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.705 20.490 -21.497 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.873 19.827 -22.644 1.00 0.00 H new ATOM 1030 N LYS A 60 -10.503 13.883 -18.458 1.00 0.00 N ATOM 1031 CA LYS A 60 -10.161 12.731 -19.275 1.00 0.00 C ATOM 1032 C LYS A 60 -11.310 12.435 -20.240 1.00 0.00 C ATOM 1033 O LYS A 60 -12.278 13.192 -20.309 1.00 0.00 O ATOM 1034 CB LYS A 60 -9.779 11.542 -18.390 1.00 0.00 C ATOM 1035 CG LYS A 60 -11.015 10.932 -17.728 1.00 0.00 C ATOM 1036 CD LYS A 60 -11.377 11.683 -16.445 1.00 0.00 C ATOM 1037 CE LYS A 60 -11.775 10.709 -15.334 1.00 0.00 C ATOM 1038 NZ LYS A 60 -13.171 10.255 -15.519 1.00 0.00 N ATOM 0 H LYS A 60 -10.716 13.667 -17.484 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.281 12.943 -19.883 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.273 10.786 -18.990 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.074 11.866 -17.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.856 10.963 -18.421 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.829 9.883 -17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.528 12.284 -16.120 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.199 12.371 -16.642 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.104 9.850 -15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.669 11.193 -14.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.425 9.595 -14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.809 11.076 -15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.261 9.775 -16.437 1.00 0.00 H new ATOM 1051 N PHE A 61 -11.167 11.333 -20.961 1.00 0.00 N ATOM 1052 CA PHE A 61 -12.181 10.928 -21.919 1.00 0.00 C ATOM 1053 C PHE A 61 -12.601 12.104 -22.804 1.00 0.00 C ATOM 1054 O PHE A 61 -13.422 12.926 -22.401 1.00 0.00 O ATOM 1055 CB PHE A 61 -13.393 10.454 -21.114 1.00 0.00 C ATOM 1056 CG PHE A 61 -13.245 9.043 -20.541 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -12.143 8.715 -19.815 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -14.217 8.117 -20.756 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -12.006 7.406 -19.283 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -14.081 6.807 -20.224 1.00 0.00 C ATOM 1061 CZ PHE A 61 -12.978 6.479 -19.499 1.00 0.00 C ATOM 0 H PHE A 61 -10.363 10.708 -20.901 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.789 10.143 -22.566 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -13.568 11.151 -20.295 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.276 10.485 -21.753 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.371 9.451 -19.643 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.093 8.378 -21.332 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.130 7.146 -18.707 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -14.853 6.072 -20.395 1.00 0.00 H new ATOM 0 HZ PHE A 61 -12.874 5.483 -19.095 1.00 0.00 H new ATOM 1071 N LEU A 62 -12.016 12.146 -23.992 1.00 0.00 N ATOM 1072 CA LEU A 62 -12.319 13.208 -24.937 1.00 0.00 C ATOM 1073 C LEU A 62 -13.454 12.756 -25.859 1.00 0.00 C ATOM 1074 O LEU A 62 -14.267 13.570 -26.293 1.00 0.00 O ATOM 1075 CB LEU A 62 -11.054 13.637 -25.684 1.00 0.00 C ATOM 1076 CG LEU A 62 -10.411 12.576 -26.578 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -10.883 12.720 -28.026 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -8.885 12.616 -26.466 1.00 0.00 C ATOM 0 H LEU A 62 -11.334 11.463 -24.322 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.669 14.097 -24.412 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.296 14.504 -26.299 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.316 13.962 -24.951 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.734 11.595 -26.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.411 11.954 -28.641 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.966 12.603 -28.069 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.609 13.706 -28.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.453 11.852 -27.112 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.523 13.597 -26.773 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.591 12.428 -25.433 1.00 0.00 H new ATOM 1090 N GLN A 63 -13.472 11.459 -26.131 1.00 0.00 N ATOM 1091 CA GLN A 63 -14.493 10.890 -26.993 1.00 0.00 C ATOM 1092 C GLN A 63 -15.882 11.349 -26.545 1.00 0.00 C ATOM 1093 O GLN A 63 -16.028 11.955 -25.485 1.00 0.00 O ATOM 1094 CB GLN A 63 -14.401 9.363 -27.016 1.00 0.00 C ATOM 1095 CG GLN A 63 -14.660 8.777 -25.627 1.00 0.00 C ATOM 1096 CD GLN A 63 -13.454 7.970 -25.139 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -12.525 7.686 -25.877 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -13.521 7.618 -23.858 1.00 0.00 N ATOM 0 H GLN A 63 -12.796 10.787 -25.769 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.324 11.247 -28.009 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.126 8.962 -27.725 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.414 9.060 -27.364 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.873 9.581 -24.923 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.542 8.138 -25.657 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.328 7.889 -23.296 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.765 7.077 -23.437 1.00 0.00 H new ATOM 1107 N ALA A 64 -16.868 11.043 -27.376 1.00 0.00 N ATOM 1108 CA ALA A 64 -18.240 11.417 -27.079 1.00 0.00 C ATOM 1109 C ALA A 64 -19.153 10.926 -28.205 1.00 0.00 C ATOM 1110 O ALA A 64 -19.311 11.602 -29.220 1.00 0.00 O ATOM 1111 CB ALA A 64 -18.325 12.931 -26.878 1.00 0.00 C ATOM 0 H ALA A 64 -16.744 10.540 -28.255 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.574 10.946 -26.154 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.355 13.211 -26.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.681 13.225 -26.049 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.000 13.438 -27.787 1.00 0.00 H new ATOM 1117 N ILE A 65 -19.729 9.753 -27.987 1.00 0.00 N ATOM 1118 CA ILE A 65 -20.622 9.164 -28.971 1.00 0.00 C ATOM 1119 C ILE A 65 -19.912 9.101 -30.324 1.00 0.00 C ATOM 1120 O ILE A 65 -19.973 10.048 -31.106 1.00 0.00 O ATOM 1121 CB ILE A 65 -21.951 9.920 -29.008 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -22.971 9.284 -28.061 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -22.484 10.022 -30.439 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -24.063 10.285 -27.679 1.00 0.00 C ATOM 0 H ILE A 65 -19.595 9.195 -27.144 1.00 0.00 H new ATOM 0 HA ILE A 65 -20.872 8.140 -28.694 1.00 0.00 H new ATOM 0 HB ILE A 65 -21.775 10.937 -28.656 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -23.421 8.413 -28.538 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -22.467 8.930 -27.162 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -23.430 10.564 -30.437 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -21.762 10.554 -31.059 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -22.640 9.021 -30.841 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -24.775 9.808 -27.006 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -23.612 11.143 -27.181 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -24.582 10.618 -28.578 1.00 0.00 H new ATOM 1136 N HIS A 66 -19.254 7.974 -30.560 1.00 0.00 N ATOM 1137 CA HIS A 66 -18.533 7.775 -31.805 1.00 0.00 C ATOM 1138 C HIS A 66 -18.894 6.410 -32.394 1.00 0.00 C ATOM 1139 O HIS A 66 -18.057 5.510 -32.442 1.00 0.00 O ATOM 1140 CB HIS A 66 -17.028 7.952 -31.596 1.00 0.00 C ATOM 1141 CG HIS A 66 -16.431 9.102 -32.371 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -16.691 9.316 -33.713 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -15.585 10.097 -31.979 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -16.026 10.395 -34.101 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -15.341 10.877 -33.025 1.00 0.00 N ATOM 0 H HIS A 66 -19.206 7.190 -29.909 1.00 0.00 H new ATOM 0 HA HIS A 66 -18.832 8.534 -32.528 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -16.835 8.104 -30.534 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -16.521 7.031 -31.884 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -15.182 10.228 -30.986 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -16.027 10.818 -35.095 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.740 11.701 -33.024 1.00 0.00 H new ATOM 1153 N GLN A 67 -20.141 6.299 -32.828 1.00 0.00 N ATOM 1154 CA GLN A 67 -20.623 5.059 -33.412 1.00 0.00 C ATOM 1155 C GLN A 67 -21.752 5.342 -34.404 1.00 0.00 C ATOM 1156 O GLN A 67 -22.189 6.484 -34.543 1.00 0.00 O ATOM 1157 CB GLN A 67 -21.079 4.082 -32.326 1.00 0.00 C ATOM 1158 CG GLN A 67 -19.879 3.452 -31.615 1.00 0.00 C ATOM 1159 CD GLN A 67 -20.303 2.222 -30.811 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -21.438 2.088 -30.383 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -19.330 1.333 -30.628 1.00 0.00 N ATOM 0 H GLN A 67 -20.832 7.048 -32.787 1.00 0.00 H new ATOM 0 HA GLN A 67 -19.800 4.592 -33.953 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -21.703 4.604 -31.601 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -21.694 3.300 -32.771 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -19.124 3.169 -32.349 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -19.419 4.184 -30.951 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.402 1.507 -31.013 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.513 0.478 -30.103 1.00 0.00 H new ATOM 1170 N LEU A 68 -22.193 4.284 -35.068 1.00 0.00 N ATOM 1171 CA LEU A 68 -23.264 4.405 -36.043 1.00 0.00 C ATOM 1172 C LEU A 68 -22.790 5.275 -37.209 1.00 0.00 C ATOM 1173 O LEU A 68 -21.747 5.922 -37.121 1.00 0.00 O ATOM 1174 CB LEU A 68 -24.542 4.915 -35.375 1.00 0.00 C ATOM 1175 CG LEU A 68 -25.050 4.097 -34.187 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -25.370 5.001 -32.995 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -26.248 3.233 -34.588 1.00 0.00 C ATOM 0 H LEU A 68 -21.828 3.339 -34.950 1.00 0.00 H new ATOM 0 HA LEU A 68 -23.516 3.428 -36.455 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -24.370 5.938 -35.039 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -25.330 4.955 -36.127 1.00 0.00 H new ATOM 0 HG LEU A 68 -24.255 3.420 -33.874 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -25.729 4.394 -32.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -24.470 5.535 -32.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -26.139 5.719 -33.279 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -26.590 2.662 -33.725 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -27.056 3.873 -34.942 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -25.953 2.548 -35.383 1.00 0.00 H new ATOM 1189 N ARG A 69 -23.578 5.263 -38.274 1.00 0.00 N ATOM 1190 CA ARG A 69 -23.252 6.043 -39.456 1.00 0.00 C ATOM 1191 C ARG A 69 -22.752 7.431 -39.053 1.00 0.00 C ATOM 1192 O ARG A 69 -22.991 7.881 -37.934 1.00 0.00 O ATOM 1193 CB ARG A 69 -24.469 6.192 -40.370 1.00 0.00 C ATOM 1194 CG ARG A 69 -24.479 5.109 -41.451 1.00 0.00 C ATOM 1195 CD ARG A 69 -25.888 4.907 -42.012 1.00 0.00 C ATOM 1196 NE ARG A 69 -25.969 5.452 -43.386 1.00 0.00 N ATOM 1197 CZ ARG A 69 -26.846 5.026 -44.319 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -27.727 4.044 -44.033 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -26.830 5.585 -45.515 1.00 0.00 N ATOM 0 H ARG A 69 -24.442 4.725 -38.343 1.00 0.00 H new ATOM 0 HA ARG A 69 -22.468 5.514 -39.998 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -25.382 6.129 -39.778 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -24.459 7.177 -40.837 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -23.800 5.388 -42.256 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -24.112 4.171 -41.035 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -26.137 3.846 -42.018 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -26.618 5.403 -41.372 1.00 0.00 H new ATOM 0 HE ARG A 69 -25.321 6.196 -43.644 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -27.733 3.618 -43.106 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -28.387 3.728 -44.744 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -26.162 6.327 -45.722 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -27.486 5.275 -46.232 1.00 0.00 H new ATOM 1212 N SER A 70 -22.066 8.072 -39.989 1.00 0.00 N ATOM 1213 CA SER A 70 -21.530 9.401 -39.747 1.00 0.00 C ATOM 1214 C SER A 70 -22.491 10.460 -40.290 1.00 0.00 C ATOM 1215 O SER A 70 -23.479 10.130 -40.944 1.00 0.00 O ATOM 1216 CB SER A 70 -20.148 9.561 -40.383 1.00 0.00 C ATOM 1217 OG SER A 70 -19.104 9.155 -39.502 1.00 0.00 O ATOM 0 H SER A 70 -21.869 7.695 -40.916 1.00 0.00 H new ATOM 0 HA SER A 70 -21.422 9.536 -38.671 1.00 0.00 H new ATOM 0 HB2 SER A 70 -20.100 8.971 -41.298 1.00 0.00 H new ATOM 0 HB3 SER A 70 -19.998 10.603 -40.667 1.00 0.00 H new ATOM 0 HG SER A 70 -18.238 9.271 -39.946 1.00 0.00 H new ATOM 1223 N VAL A 71 -22.168 11.711 -39.999 1.00 0.00 N ATOM 1224 CA VAL A 71 -22.990 12.821 -40.450 1.00 0.00 C ATOM 1225 C VAL A 71 -22.908 12.924 -41.974 1.00 0.00 C ATOM 1226 O VAL A 71 -23.669 13.667 -42.592 1.00 0.00 O ATOM 1227 CB VAL A 71 -22.566 14.109 -39.740 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -23.061 14.125 -38.292 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -21.049 14.296 -39.804 1.00 0.00 C ATOM 0 H VAL A 71 -21.348 11.981 -39.456 1.00 0.00 H new ATOM 0 HA VAL A 71 -24.035 12.652 -40.191 1.00 0.00 H new ATOM 0 HB VAL A 71 -23.029 14.947 -40.261 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -22.746 15.051 -37.810 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -24.149 14.061 -38.279 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -22.641 13.275 -37.754 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -20.774 15.218 -39.292 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -20.558 13.452 -39.320 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -20.733 14.351 -40.846 1.00 0.00 H new ATOM 1239 N LYS A 72 -21.976 12.168 -42.537 1.00 0.00 N ATOM 1240 CA LYS A 72 -21.785 12.165 -43.978 1.00 0.00 C ATOM 1241 C LYS A 72 -21.405 10.755 -44.434 1.00 0.00 C ATOM 1242 O LYS A 72 -20.625 10.073 -43.772 1.00 0.00 O ATOM 1243 CB LYS A 72 -20.772 13.237 -44.386 1.00 0.00 C ATOM 1244 CG LYS A 72 -21.470 14.566 -44.680 1.00 0.00 C ATOM 1245 CD LYS A 72 -21.205 15.019 -46.117 1.00 0.00 C ATOM 1246 CE LYS A 72 -20.932 16.523 -46.177 1.00 0.00 C ATOM 1247 NZ LYS A 72 -22.185 17.285 -45.979 1.00 0.00 N ATOM 0 H LYS A 72 -21.345 11.554 -42.022 1.00 0.00 H new ATOM 0 HA LYS A 72 -22.713 12.426 -44.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -20.041 13.374 -43.589 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -20.223 12.907 -45.268 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -22.543 14.460 -44.520 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -21.118 15.327 -43.984 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -20.352 14.475 -46.522 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -22.064 14.777 -46.743 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -20.207 16.798 -45.411 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -20.491 16.781 -47.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.982 18.304 -46.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -22.865 17.035 -46.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -22.590 17.052 -45.050 1.00 0.00 H new ATOM 1260 N MET A 73 -21.975 10.359 -45.563 1.00 0.00 N ATOM 1261 CA MET A 73 -21.706 9.043 -46.116 1.00 0.00 C ATOM 1262 C MET A 73 -20.741 9.132 -47.300 1.00 0.00 C ATOM 1263 O MET A 73 -20.496 10.217 -47.825 1.00 0.00 O ATOM 1264 CB MET A 73 -23.019 8.404 -46.574 1.00 0.00 C ATOM 1265 CG MET A 73 -23.578 9.122 -47.804 1.00 0.00 C ATOM 1266 SD MET A 73 -25.015 8.257 -48.415 1.00 0.00 S ATOM 1267 CE MET A 73 -26.152 9.623 -48.582 1.00 0.00 C ATOM 0 H MET A 73 -22.622 10.927 -46.110 1.00 0.00 H new ATOM 0 HA MET A 73 -21.244 8.431 -45.341 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.854 7.352 -46.806 1.00 0.00 H new ATOM 0 HB3 MET A 73 -23.748 8.441 -45.764 1.00 0.00 H new ATOM 0 HG2 MET A 73 -23.843 10.148 -47.548 1.00 0.00 H new ATOM 0 HG3 MET A 73 -22.817 9.174 -48.582 1.00 0.00 H new ATOM 0 HE1 MET A 73 -27.108 9.257 -48.956 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.299 10.095 -47.610 1.00 0.00 H new ATOM 0 HE3 MET A 73 -25.744 10.353 -49.282 1.00 0.00 H new ATOM 1277 N GLU A 74 -20.219 7.977 -47.685 1.00 0.00 N ATOM 1278 CA GLU A 74 -19.286 7.911 -48.797 1.00 0.00 C ATOM 1279 C GLU A 74 -19.844 7.016 -49.906 1.00 0.00 C ATOM 1280 O GLU A 74 -20.944 6.480 -49.781 1.00 0.00 O ATOM 1281 CB GLU A 74 -17.914 7.417 -48.333 1.00 0.00 C ATOM 1282 CG GLU A 74 -17.179 8.502 -47.543 1.00 0.00 C ATOM 1283 CD GLU A 74 -16.899 8.044 -46.111 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -16.916 6.836 -45.832 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -16.656 8.993 -45.272 1.00 0.00 O ATOM 0 H GLU A 74 -20.424 7.079 -47.247 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.158 8.916 -49.198 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.034 6.529 -47.713 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.318 7.124 -49.197 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.240 8.746 -48.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.777 9.413 -47.527 1.00 0.00 H new ATOM 1293 N GLN A 75 -19.060 6.883 -50.965 1.00 0.00 N ATOM 1294 CA GLN A 75 -19.462 6.063 -52.095 1.00 0.00 C ATOM 1295 C GLN A 75 -20.973 6.164 -52.313 1.00 0.00 C ATOM 1296 O GLN A 75 -21.570 7.213 -52.074 1.00 0.00 O ATOM 1297 CB GLN A 75 -19.033 4.608 -51.897 1.00 0.00 C ATOM 1298 CG GLN A 75 -18.775 3.925 -53.242 1.00 0.00 C ATOM 1299 CD GLN A 75 -19.113 2.434 -53.172 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -19.128 1.823 -52.117 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -19.382 1.885 -54.354 1.00 0.00 N ATOM 0 H GLN A 75 -18.148 7.329 -51.065 1.00 0.00 H new ATOM 0 HA GLN A 75 -18.960 6.437 -52.987 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -18.130 4.571 -51.287 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -19.808 4.067 -51.353 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -19.375 4.402 -54.017 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -17.730 4.052 -53.524 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -19.352 2.455 -55.200 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -19.619 0.895 -54.414 1.00 0.00 H new ATOM 1310 N ARG A 76 -21.549 5.060 -52.765 1.00 0.00 N ATOM 1311 CA ARG A 76 -22.979 5.011 -53.018 1.00 0.00 C ATOM 1312 C ARG A 76 -23.519 3.607 -52.740 1.00 0.00 C ATOM 1313 O ARG A 76 -22.820 2.616 -52.947 1.00 0.00 O ATOM 1314 CB ARG A 76 -23.296 5.394 -54.465 1.00 0.00 C ATOM 1315 CG ARG A 76 -22.264 6.385 -55.008 1.00 0.00 C ATOM 1316 CD ARG A 76 -22.743 7.013 -56.318 1.00 0.00 C ATOM 1317 NE ARG A 76 -22.369 6.149 -57.460 1.00 0.00 N ATOM 1318 CZ ARG A 76 -21.143 6.130 -58.025 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -20.161 6.929 -57.557 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -20.920 5.318 -59.042 1.00 0.00 N ATOM 0 H ARG A 76 -21.051 4.192 -52.963 1.00 0.00 H new ATOM 0 HA ARG A 76 -23.458 5.728 -52.351 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -23.309 4.499 -55.087 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -24.292 5.834 -54.519 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -22.083 7.167 -54.271 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -21.315 5.874 -55.171 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -23.824 7.148 -56.292 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -22.301 8.002 -56.440 1.00 0.00 H new ATOM 0 HE ARG A 76 -23.082 5.529 -57.844 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -20.342 7.553 -56.771 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.237 6.909 -57.989 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.668 4.718 -59.389 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -20.000 5.291 -59.481 1.00 0.00 H new ATOM 1333 N LYS A 77 -24.759 3.566 -52.275 1.00 0.00 N ATOM 1334 CA LYS A 77 -25.402 2.300 -51.966 1.00 0.00 C ATOM 1335 C LYS A 77 -26.206 1.831 -53.181 1.00 0.00 C ATOM 1336 O LYS A 77 -26.385 0.631 -53.386 1.00 0.00 O ATOM 1337 CB LYS A 77 -26.233 2.418 -50.687 1.00 0.00 C ATOM 1338 CG LYS A 77 -27.510 3.223 -50.936 1.00 0.00 C ATOM 1339 CD LYS A 77 -28.003 3.881 -49.646 1.00 0.00 C ATOM 1340 CE LYS A 77 -29.334 4.601 -49.871 1.00 0.00 C ATOM 1341 NZ LYS A 77 -30.416 3.623 -50.121 1.00 0.00 N ATOM 0 H LYS A 77 -25.336 4.390 -52.105 1.00 0.00 H new ATOM 0 HA LYS A 77 -24.654 1.533 -51.762 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -26.491 1.423 -50.323 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -25.642 2.899 -49.908 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -27.321 3.988 -51.689 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -28.285 2.568 -51.334 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -28.121 3.125 -48.870 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -27.257 4.591 -49.288 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -29.578 5.207 -48.999 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -29.248 5.281 -50.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -31.338 4.092 -50.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -30.325 3.243 -51.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -30.346 2.845 -49.434 1.00 0.00 H new ATOM 1354 N LEU A 78 -26.668 2.802 -53.955 1.00 0.00 N ATOM 1355 CA LEU A 78 -27.449 2.504 -55.143 1.00 0.00 C ATOM 1356 C LEU A 78 -26.645 2.890 -56.386 1.00 0.00 C ATOM 1357 O LEU A 78 -25.674 3.641 -56.294 1.00 0.00 O ATOM 1358 CB LEU A 78 -28.821 3.176 -55.066 1.00 0.00 C ATOM 1359 CG LEU A 78 -28.888 4.624 -55.555 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -30.040 4.816 -56.543 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -28.975 5.597 -54.377 1.00 0.00 C ATOM 0 H LEU A 78 -26.516 3.796 -53.782 1.00 0.00 H new ATOM 0 HA LEU A 78 -27.647 1.434 -55.209 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -29.527 2.584 -55.649 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -29.160 3.147 -54.030 1.00 0.00 H new ATOM 0 HG LEU A 78 -27.965 4.847 -56.090 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -30.065 5.854 -56.875 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -29.894 4.163 -57.404 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -30.983 4.568 -56.055 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -29.021 6.619 -54.752 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -29.871 5.383 -53.794 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -28.095 5.482 -53.745 1.00 0.00 H new ATOM 1373 N ASN A 79 -27.078 2.360 -57.521 1.00 0.00 N ATOM 1374 CA ASN A 79 -26.410 2.640 -58.781 1.00 0.00 C ATOM 1375 C ASN A 79 -27.240 2.066 -59.931 1.00 0.00 C ATOM 1376 O ASN A 79 -27.362 2.689 -60.984 1.00 0.00 O ATOM 1377 CB ASN A 79 -25.026 1.991 -58.826 1.00 0.00 C ATOM 1378 CG ASN A 79 -24.065 2.809 -59.693 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -24.201 4.011 -59.850 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -23.091 2.091 -60.245 1.00 0.00 N ATOM 0 H ASN A 79 -27.883 1.738 -57.594 1.00 0.00 H new ATOM 0 HA ASN A 79 -26.304 3.721 -58.875 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -24.627 1.906 -57.815 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -25.108 0.979 -59.223 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -22.399 2.544 -60.842 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -23.036 1.087 -60.071 1.00 0.00 H new ATOM 1387 N ASP A 80 -27.788 0.884 -59.690 1.00 0.00 N ATOM 1388 CA ASP A 80 -28.602 0.219 -60.693 1.00 0.00 C ATOM 1389 C ASP A 80 -27.690 -0.438 -61.731 1.00 0.00 C ATOM 1390 O ASP A 80 -27.733 -1.652 -61.921 1.00 0.00 O ATOM 1391 CB ASP A 80 -29.505 1.217 -61.420 1.00 0.00 C ATOM 1392 CG ASP A 80 -30.897 0.691 -61.775 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -31.345 -0.339 -61.248 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -31.540 1.393 -62.645 1.00 0.00 O ATOM 0 H ASP A 80 -27.684 0.370 -58.815 1.00 0.00 H new ATOM 0 HA ASP A 80 -29.219 -0.524 -60.188 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -29.617 2.104 -60.796 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -29.008 1.533 -62.337 1.00 0.00 H new ATOM 1400 N GLN A 81 -26.886 0.395 -62.375 1.00 0.00 N ATOM 1401 CA GLN A 81 -25.965 -0.089 -63.389 1.00 0.00 C ATOM 1402 C GLN A 81 -26.737 -0.627 -64.595 1.00 0.00 C ATOM 1403 O GLN A 81 -26.620 -1.803 -64.938 1.00 0.00 O ATOM 1404 CB GLN A 81 -25.030 -1.156 -62.816 1.00 0.00 C ATOM 1405 CG GLN A 81 -23.771 -1.300 -63.674 1.00 0.00 C ATOM 1406 CD GLN A 81 -23.620 -2.732 -64.191 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -22.444 -3.287 -63.912 1.00 0.00 O flip ATOM 1408 NE2 GLN A 81 -24.512 -3.296 -64.802 1.00 0.00 N flip ATOM 0 H GLN A 81 -26.853 1.402 -62.214 1.00 0.00 H new ATOM 0 HA GLN A 81 -25.349 0.747 -63.721 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -24.751 -0.891 -61.796 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -25.551 -2.112 -62.765 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.819 -0.609 -64.516 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.894 -1.027 -63.087 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -25.391 -2.812 -64.983 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.379 -4.252 -65.132 1.00 0.00 H new ATOM 1417 N ALA A 82 -27.511 0.259 -65.205 1.00 0.00 N ATOM 1418 CA ALA A 82 -28.303 -0.113 -66.365 1.00 0.00 C ATOM 1419 C ALA A 82 -27.371 -0.571 -67.488 1.00 0.00 C ATOM 1420 O ALA A 82 -26.897 -1.706 -67.482 1.00 0.00 O ATOM 1421 CB ALA A 82 -29.182 1.068 -66.782 1.00 0.00 C ATOM 0 H ALA A 82 -27.606 1.233 -64.918 1.00 0.00 H new ATOM 0 HA ALA A 82 -28.966 -0.945 -66.127 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -29.776 0.790 -67.652 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -29.846 1.336 -65.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -28.551 1.921 -67.031 1.00 0.00 H new ATOM 1427 N ASN A 83 -27.136 0.335 -68.426 1.00 0.00 N ATOM 1428 CA ASN A 83 -26.269 0.038 -69.553 1.00 0.00 C ATOM 1429 C ASN A 83 -26.956 -0.980 -70.465 1.00 0.00 C ATOM 1430 O ASN A 83 -27.688 -1.849 -69.992 1.00 0.00 O ATOM 1431 CB ASN A 83 -24.944 -0.566 -69.085 1.00 0.00 C ATOM 1432 CG ASN A 83 -23.864 -0.420 -70.159 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -23.665 0.637 -70.736 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -23.181 -1.536 -70.395 1.00 0.00 N ATOM 0 H ASN A 83 -27.531 1.275 -68.428 1.00 0.00 H new ATOM 0 HA ASN A 83 -26.073 0.971 -70.082 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.619 -0.073 -68.169 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.085 -1.620 -68.847 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -22.439 -1.542 -71.095 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.399 -2.387 -69.876 1.00 0.00 H new ATOM 1441 N THR A 84 -26.697 -0.840 -71.757 1.00 0.00 N ATOM 1442 CA THR A 84 -27.281 -1.737 -72.740 1.00 0.00 C ATOM 1443 C THR A 84 -28.728 -2.065 -72.368 1.00 0.00 C ATOM 1444 O THR A 84 -29.079 -3.231 -72.194 1.00 0.00 O ATOM 1445 CB THR A 84 -26.385 -2.973 -72.843 1.00 0.00 C ATOM 1446 OG1 THR A 84 -26.289 -3.446 -71.502 1.00 0.00 O ATOM 1447 CG2 THR A 84 -24.944 -2.622 -73.219 1.00 0.00 C ATOM 0 H THR A 84 -26.090 -0.118 -72.146 1.00 0.00 H new ATOM 0 HA THR A 84 -27.329 -1.270 -73.724 1.00 0.00 H new ATOM 0 HB THR A 84 -26.797 -3.658 -73.584 1.00 0.00 H new ATOM 0 HG1 THR A 84 -27.179 -3.446 -71.091 1.00 0.00 H new ATOM 0 HG21 THR A 84 -24.351 -3.535 -73.279 1.00 0.00 H new ATOM 0 HG22 THR A 84 -24.933 -2.118 -74.185 1.00 0.00 H new ATOM 0 HG23 THR A 84 -24.520 -1.963 -72.461 1.00 0.00 H new ATOM 1455 N LEU A 85 -29.530 -1.016 -72.257 1.00 0.00 N ATOM 1456 CA LEU A 85 -30.931 -1.177 -71.909 1.00 0.00 C ATOM 1457 C LEU A 85 -31.770 -1.200 -73.188 1.00 0.00 C ATOM 1458 O LEU A 85 -32.956 -1.526 -73.152 1.00 0.00 O ATOM 1459 CB LEU A 85 -31.363 -0.103 -70.909 1.00 0.00 C ATOM 1460 CG LEU A 85 -31.524 1.311 -71.472 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -33.002 1.691 -71.584 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -30.733 2.324 -70.643 1.00 0.00 C ATOM 0 H LEU A 85 -29.235 -0.050 -72.402 1.00 0.00 H new ATOM 0 HA LEU A 85 -31.091 -2.130 -71.405 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -32.312 -0.407 -70.467 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -30.631 -0.070 -70.102 1.00 0.00 H new ATOM 0 HG LEU A 85 -31.110 1.327 -72.480 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -33.089 2.700 -71.987 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -33.508 0.991 -72.248 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -33.463 1.653 -70.597 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -30.864 3.321 -71.064 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -31.094 2.314 -69.615 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -29.676 2.060 -70.658 1.00 0.00 H new ATOM 1474 N VAL A 86 -31.123 -0.848 -74.289 1.00 0.00 N ATOM 1475 CA VAL A 86 -31.794 -0.823 -75.577 1.00 0.00 C ATOM 1476 C VAL A 86 -32.929 0.202 -75.536 1.00 0.00 C ATOM 1477 O VAL A 86 -34.091 -0.159 -75.354 1.00 0.00 O ATOM 1478 CB VAL A 86 -32.272 -2.229 -75.945 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -33.087 -2.210 -77.240 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -31.093 -3.198 -76.053 1.00 0.00 C ATOM 0 H VAL A 86 -30.140 -0.577 -74.315 1.00 0.00 H new ATOM 0 HA VAL A 86 -31.104 -0.513 -76.361 1.00 0.00 H new ATOM 0 HB VAL A 86 -32.923 -2.582 -75.145 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -33.414 -3.222 -77.479 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -33.958 -1.567 -77.112 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -32.470 -1.827 -78.053 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -31.460 -4.190 -76.316 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -30.405 -2.850 -76.824 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -30.572 -3.245 -75.097 1.00 0.00 H new ATOM 1490 N ASP A 87 -32.553 1.461 -75.709 1.00 0.00 N ATOM 1491 CA ASP A 87 -33.525 2.541 -75.694 1.00 0.00 C ATOM 1492 C ASP A 87 -34.342 2.505 -76.987 1.00 0.00 C ATOM 1493 O ASP A 87 -34.048 3.236 -77.932 1.00 0.00 O ATOM 1494 CB ASP A 87 -32.833 3.903 -75.610 1.00 0.00 C ATOM 1495 CG ASP A 87 -33.733 5.059 -75.171 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -34.223 5.091 -74.032 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -33.929 5.968 -76.065 1.00 0.00 O ATOM 0 H ASP A 87 -31.589 1.757 -75.860 1.00 0.00 H new ATOM 0 HA ASP A 87 -34.165 2.407 -74.822 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -31.998 3.827 -74.913 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -32.412 4.141 -76.587 1.00 0.00 H new ATOM 1503 N LEU A 88 -35.351 1.646 -76.988 1.00 0.00 N ATOM 1504 CA LEU A 88 -36.212 1.504 -78.150 1.00 0.00 C ATOM 1505 C LEU A 88 -36.985 2.807 -78.368 1.00 0.00 C ATOM 1506 O LEU A 88 -37.386 3.115 -79.489 1.00 0.00 O ATOM 1507 CB LEU A 88 -37.110 0.274 -78.005 1.00 0.00 C ATOM 1508 CG LEU A 88 -38.091 0.294 -76.831 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -39.535 0.165 -77.322 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -37.737 -0.781 -75.801 1.00 0.00 C ATOM 0 H LEU A 88 -35.592 1.041 -76.203 1.00 0.00 H new ATOM 0 HA LEU A 88 -35.617 1.331 -79.046 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -37.680 0.154 -78.927 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -36.474 -0.606 -77.906 1.00 0.00 H new ATOM 0 HG LEU A 88 -38.005 1.259 -76.331 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -40.212 0.182 -76.468 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -39.769 0.996 -77.987 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -39.654 -0.775 -77.861 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -38.450 -0.745 -74.977 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -37.776 -1.763 -76.272 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -36.732 -0.602 -75.419 1.00 0.00 H new ATOM 1522 N ALA A 89 -37.171 3.537 -77.278 1.00 0.00 N ATOM 1523 CA ALA A 89 -37.888 4.799 -77.336 1.00 0.00 C ATOM 1524 C ALA A 89 -37.292 5.669 -78.444 1.00 0.00 C ATOM 1525 O ALA A 89 -37.987 6.039 -79.389 1.00 0.00 O ATOM 1526 CB ALA A 89 -37.834 5.481 -75.967 1.00 0.00 C ATOM 0 H ALA A 89 -36.837 3.278 -76.349 1.00 0.00 H new ATOM 0 HA ALA A 89 -38.938 4.633 -77.576 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -38.372 6.428 -76.011 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -38.296 4.835 -75.220 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -36.795 5.666 -75.694 1.00 0.00 H new ATOM 1532 N LYS A 90 -36.011 5.971 -78.291 1.00 0.00 N ATOM 1533 CA LYS A 90 -35.314 6.791 -79.267 1.00 0.00 C ATOM 1534 C LYS A 90 -35.013 5.951 -80.510 1.00 0.00 C ATOM 1535 O LYS A 90 -34.104 5.122 -80.498 1.00 0.00 O ATOM 1536 CB LYS A 90 -34.073 7.430 -78.642 1.00 0.00 C ATOM 1537 CG LYS A 90 -33.618 8.648 -79.448 1.00 0.00 C ATOM 1538 CD LYS A 90 -32.795 9.603 -78.580 1.00 0.00 C ATOM 1539 CE LYS A 90 -31.793 10.388 -79.428 1.00 0.00 C ATOM 1540 NZ LYS A 90 -32.492 11.393 -80.261 1.00 0.00 N ATOM 0 H LYS A 90 -35.438 5.662 -77.506 1.00 0.00 H new ATOM 0 HA LYS A 90 -35.944 7.621 -79.587 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -34.291 7.729 -77.617 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -33.267 6.698 -78.596 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -33.023 8.322 -80.301 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -34.488 9.171 -79.846 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -33.460 10.295 -78.063 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -32.264 9.038 -77.814 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -31.070 10.884 -78.781 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -31.233 9.704 -80.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -31.797 11.917 -80.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -33.165 10.913 -80.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -33.006 12.056 -79.647 1.00 0.00 H new ATOM 1553 N THR A 91 -35.793 6.194 -81.553 1.00 0.00 N ATOM 1554 CA THR A 91 -35.621 5.471 -82.801 1.00 0.00 C ATOM 1555 C THR A 91 -34.668 6.227 -83.730 1.00 0.00 C ATOM 1556 O THR A 91 -35.078 6.718 -84.780 1.00 0.00 O ATOM 1557 CB THR A 91 -37.006 5.241 -83.409 1.00 0.00 C ATOM 1558 OG1 THR A 91 -36.738 4.581 -84.643 1.00 0.00 O ATOM 1559 CG2 THR A 91 -37.687 6.546 -83.825 1.00 0.00 C ATOM 0 H THR A 91 -36.546 6.882 -81.559 1.00 0.00 H new ATOM 0 HA THR A 91 -35.158 4.499 -82.633 1.00 0.00 H new ATOM 0 HB THR A 91 -37.635 4.716 -82.690 1.00 0.00 H new ATOM 0 HG1 THR A 91 -36.161 5.147 -85.198 1.00 0.00 H new ATOM 0 HG21 THR A 91 -38.666 6.326 -84.250 1.00 0.00 H new ATOM 0 HG22 THR A 91 -37.806 7.188 -82.953 1.00 0.00 H new ATOM 0 HG23 THR A 91 -37.074 7.055 -84.569 1.00 0.00 H new ATOM 1567 N GLN A 92 -33.414 6.298 -83.308 1.00 0.00 N ATOM 1568 CA GLN A 92 -32.400 6.986 -84.088 1.00 0.00 C ATOM 1569 C GLN A 92 -32.485 6.567 -85.557 1.00 0.00 C ATOM 1570 O GLN A 92 -32.727 7.398 -86.430 1.00 0.00 O ATOM 1571 CB GLN A 92 -31.002 6.724 -83.523 1.00 0.00 C ATOM 1572 CG GLN A 92 -30.336 8.028 -83.080 1.00 0.00 C ATOM 1573 CD GLN A 92 -29.009 7.753 -82.371 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -28.876 7.902 -81.167 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -28.038 7.342 -83.181 1.00 0.00 N ATOM 0 H GLN A 92 -33.077 5.890 -82.436 1.00 0.00 H new ATOM 0 HA GLN A 92 -32.587 8.058 -84.025 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -31.070 6.041 -82.677 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -30.386 6.235 -84.278 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -30.164 8.665 -83.947 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -31.003 8.573 -82.412 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -28.217 7.238 -84.180 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -27.114 7.130 -82.804 1.00 0.00 H new TER 1584 GLN A 92