USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 592 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 18 THR OG1 : rot -170:sc= -0.113 USER MOD Set 1.2: A 21 ASN : amide:sc= 0.625 K(o=0.51,f=-0.51) USER MOD Set 2.1: A 6 SER OG : rot 148:sc= 1.04 USER MOD Set 2.2: A -1 GLY N :NH3+ -179:sc= 1.29 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.019 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 41:sc= 0.685 USER MOD Single : A 7 SER OG : rot 152:sc= 1.3 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.17) USER MOD Single : A 13 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.18) USER MOD Single : A 16 CYS SG : rot 110:sc= -0.967 USER MOD Single : A 19 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -66:sc= 1.27 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0935 (180deg=-0.332) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc=-0.00953 (180deg=-0.214) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -3.79! C(o=-3.8!,f=-3.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= 0.868 (180deg=-1.65!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.74! C(o=-1.7!,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.05) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 8.688 18.835 1.159 1.00 0.00 N ATOM 2 CA GLY A -1 9.462 18.842 -0.082 1.00 0.00 C ATOM 3 C GLY A -1 8.974 19.929 -0.974 1.00 0.00 C ATOM 4 O GLY A -1 7.794 20.277 -0.922 1.00 0.00 O ATOM 0 H1 GLY A -1 9.044 18.085 1.786 1.00 0.00 H new ATOM 0 H2 GLY A -1 8.783 19.756 1.633 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.686 18.659 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A -1 10.519 18.987 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.371 17.879 -0.584 1.00 0.00 H new ATOM 8 N SER A 0 9.853 20.494 -1.762 1.00 0.00 N ATOM 9 CA SER A 0 9.491 21.584 -2.624 1.00 0.00 C ATOM 10 C SER A 0 10.139 21.424 -3.993 1.00 0.00 C ATOM 11 O SER A 0 11.374 21.379 -4.111 1.00 0.00 O ATOM 12 CB SER A 0 9.908 22.898 -1.979 1.00 0.00 C ATOM 13 OG SER A 0 9.364 22.997 -0.669 1.00 0.00 O ATOM 0 H SER A 0 10.832 20.212 -1.822 1.00 0.00 H new ATOM 0 HA SER A 0 8.410 21.585 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.995 22.961 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.565 23.735 -2.587 1.00 0.00 H new ATOM 0 HG SER A 0 9.640 23.845 -0.263 1.00 0.00 H new ATOM 19 N MET A 1 9.290 21.294 -5.007 1.00 0.00 N ATOM 20 CA MET A 1 9.674 21.151 -6.417 1.00 0.00 C ATOM 21 C MET A 1 10.464 19.872 -6.687 1.00 0.00 C ATOM 22 O MET A 1 11.062 19.705 -7.752 1.00 0.00 O ATOM 23 CB MET A 1 10.409 22.402 -6.936 1.00 0.00 C ATOM 24 CG MET A 1 9.547 23.657 -6.919 1.00 0.00 C ATOM 25 SD MET A 1 10.396 25.113 -7.562 1.00 0.00 S ATOM 26 CE MET A 1 9.111 26.354 -7.363 1.00 0.00 C ATOM 0 H MET A 1 8.279 21.284 -4.871 1.00 0.00 H new ATOM 0 HA MET A 1 8.747 21.060 -6.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.297 22.571 -6.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.751 22.218 -7.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.647 23.480 -7.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.225 23.855 -5.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.478 27.318 -7.716 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.234 26.066 -7.942 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.841 26.432 -6.310 1.00 0.00 H new ATOM 36 N SER A 2 10.421 18.967 -5.762 1.00 0.00 N ATOM 37 CA SER A 2 11.081 17.713 -5.892 1.00 0.00 C ATOM 38 C SER A 2 10.067 16.648 -6.263 1.00 0.00 C ATOM 39 O SER A 2 8.845 16.898 -6.180 1.00 0.00 O ATOM 40 CB SER A 2 11.771 17.385 -4.575 1.00 0.00 C ATOM 41 OG SER A 2 10.892 17.608 -3.476 1.00 0.00 O ATOM 0 H SER A 2 9.918 19.083 -4.882 1.00 0.00 H new ATOM 0 HA SER A 2 11.833 17.753 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.099 16.345 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.664 18.000 -4.464 1.00 0.00 H new ATOM 0 HG SER A 2 11.353 17.390 -2.639 1.00 0.00 H new ATOM 47 N TYR A 3 10.542 15.492 -6.701 1.00 0.00 N ATOM 48 CA TYR A 3 9.664 14.381 -6.994 1.00 0.00 C ATOM 49 C TYR A 3 9.112 13.771 -5.716 1.00 0.00 C ATOM 50 O TYR A 3 9.659 12.803 -5.169 1.00 0.00 O ATOM 51 CB TYR A 3 10.333 13.297 -7.829 1.00 0.00 C ATOM 52 CG TYR A 3 10.546 13.609 -9.296 1.00 0.00 C ATOM 53 CD1 TYR A 3 9.558 13.324 -10.200 1.00 0.00 C ATOM 54 CD2 TYR A 3 11.737 14.125 -9.777 1.00 0.00 C ATOM 55 CE1 TYR A 3 9.713 13.528 -11.545 1.00 0.00 C ATOM 56 CE2 TYR A 3 11.912 14.352 -11.132 1.00 0.00 C ATOM 57 CZ TYR A 3 10.893 14.049 -12.012 1.00 0.00 C ATOM 58 OH TYR A 3 11.070 14.243 -13.364 1.00 0.00 O ATOM 0 H TYR A 3 11.532 15.304 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 3 8.847 14.793 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.302 13.073 -7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.732 12.391 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.622 12.924 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.538 14.353 -9.089 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.916 13.282 -12.230 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.841 14.764 -11.498 1.00 0.00 H new ATOM 0 HH TYR A 3 11.960 14.620 -13.527 1.00 0.00 H new ATOM 68 N ASP A 4 8.113 14.408 -5.209 1.00 0.00 N ATOM 69 CA ASP A 4 7.348 13.980 -4.058 1.00 0.00 C ATOM 70 C ASP A 4 6.077 14.777 -4.128 1.00 0.00 C ATOM 71 O ASP A 4 6.105 15.920 -4.615 1.00 0.00 O ATOM 72 CB ASP A 4 8.084 14.295 -2.743 1.00 0.00 C ATOM 73 CG ASP A 4 7.404 13.697 -1.524 1.00 0.00 C ATOM 74 OD1 ASP A 4 6.341 14.173 -1.128 1.00 0.00 O ATOM 75 OD2 ASP A 4 7.960 12.745 -0.920 1.00 0.00 O ATOM 0 H ASP A 4 7.779 15.290 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 4 7.180 12.903 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.104 13.917 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.151 15.376 -2.621 1.00 0.00 H new ATOM 80 N TYR A 5 4.966 14.222 -3.720 1.00 0.00 N ATOM 81 CA TYR A 5 3.724 14.957 -3.798 1.00 0.00 C ATOM 82 C TYR A 5 3.637 16.077 -2.770 1.00 0.00 C ATOM 83 O TYR A 5 2.717 16.867 -2.812 1.00 0.00 O ATOM 84 CB TYR A 5 2.467 14.070 -3.791 1.00 0.00 C ATOM 85 CG TYR A 5 2.256 13.273 -5.073 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.798 13.901 -6.223 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.504 11.906 -5.133 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.597 13.198 -7.396 1.00 0.00 C ATOM 89 CE2 TYR A 5 2.303 11.192 -6.307 1.00 0.00 C ATOM 90 CZ TYR A 5 1.848 11.847 -7.437 1.00 0.00 C ATOM 91 OH TYR A 5 1.660 11.146 -8.622 1.00 0.00 O ATOM 0 H TYR A 5 4.891 13.280 -3.336 1.00 0.00 H new ATOM 0 HA TYR A 5 3.744 15.426 -4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.530 13.377 -2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.593 14.699 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.594 14.961 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.859 11.391 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.243 13.709 -8.279 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.501 10.131 -6.338 1.00 0.00 H new ATOM 0 HH TYR A 5 1.982 11.684 -9.375 1.00 0.00 H new ATOM 101 N SER A 6 4.620 16.161 -1.876 1.00 0.00 N ATOM 102 CA SER A 6 4.728 17.248 -0.915 1.00 0.00 C ATOM 103 C SER A 6 4.872 18.580 -1.665 1.00 0.00 C ATOM 104 O SER A 6 4.399 19.615 -1.210 1.00 0.00 O ATOM 105 CB SER A 6 5.947 17.012 0.000 1.00 0.00 C ATOM 106 OG SER A 6 6.068 18.004 1.012 1.00 0.00 O ATOM 0 H SER A 6 5.367 15.471 -1.800 1.00 0.00 H new ATOM 0 HA SER A 6 3.830 17.284 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.863 16.030 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.854 17.001 -0.604 1.00 0.00 H new ATOM 0 HG SER A 6 6.460 17.605 1.816 1.00 0.00 H new ATOM 112 N SER A 7 5.498 18.525 -2.829 1.00 0.00 N ATOM 113 CA SER A 7 5.666 19.679 -3.675 1.00 0.00 C ATOM 114 C SER A 7 4.295 20.125 -4.213 1.00 0.00 C ATOM 115 O SER A 7 3.946 21.307 -4.206 1.00 0.00 O ATOM 116 CB SER A 7 6.576 19.282 -4.837 1.00 0.00 C ATOM 117 OG SER A 7 7.768 18.669 -4.353 1.00 0.00 O ATOM 0 H SER A 7 5.904 17.670 -3.209 1.00 0.00 H new ATOM 0 HA SER A 7 6.107 20.504 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.050 18.595 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.827 20.163 -5.427 1.00 0.00 H new ATOM 0 HG SER A 7 8.115 18.049 -5.028 1.00 0.00 H new ATOM 123 N LEU A 8 3.504 19.143 -4.605 1.00 0.00 N ATOM 124 CA LEU A 8 2.206 19.373 -5.208 1.00 0.00 C ATOM 125 C LEU A 8 1.226 19.819 -4.115 1.00 0.00 C ATOM 126 O LEU A 8 0.493 20.797 -4.276 1.00 0.00 O ATOM 127 CB LEU A 8 1.754 18.065 -5.930 1.00 0.00 C ATOM 128 CG LEU A 8 0.651 18.148 -7.020 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.546 16.826 -7.753 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.692 18.450 -6.420 1.00 0.00 C ATOM 0 H LEU A 8 3.747 18.157 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 8 2.243 20.165 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.637 17.621 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.409 17.370 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 8 0.931 18.950 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.230 16.893 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.501 16.595 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.292 16.037 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.441 18.501 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.961 17.663 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.650 19.406 -5.897 1.00 0.00 H new ATOM 142 N LEU A 9 1.283 19.138 -2.986 1.00 0.00 N ATOM 143 CA LEU A 9 0.475 19.397 -1.875 1.00 0.00 C ATOM 144 C LEU A 9 0.841 20.730 -1.233 1.00 0.00 C ATOM 145 O LEU A 9 0.001 21.386 -0.631 1.00 0.00 O ATOM 146 CB LEU A 9 0.655 18.247 -0.945 1.00 0.00 C ATOM 147 CG LEU A 9 -0.104 18.281 0.338 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.568 18.687 0.124 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.068 16.933 0.910 1.00 0.00 C ATOM 0 H LEU A 9 1.930 18.363 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.574 19.489 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.379 17.337 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.716 18.168 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 9 0.353 19.017 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.086 18.700 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.608 19.680 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.051 17.970 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.616 16.923 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.528 16.231 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.967 16.641 1.089 1.00 0.00 H new ATOM 161 N GLY A 10 2.085 21.138 -1.402 1.00 0.00 N ATOM 162 CA GLY A 10 2.535 22.423 -0.918 1.00 0.00 C ATOM 163 C GLY A 10 1.766 23.540 -1.576 1.00 0.00 C ATOM 164 O GLY A 10 1.254 24.430 -0.903 1.00 0.00 O ATOM 0 H GLY A 10 2.804 20.591 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.407 22.475 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.600 22.540 -1.119 1.00 0.00 H new ATOM 168 N LYS A 11 1.606 23.445 -2.887 1.00 0.00 N ATOM 169 CA LYS A 11 0.887 24.415 -3.636 1.00 0.00 C ATOM 170 C LYS A 11 -0.578 24.351 -3.326 1.00 0.00 C ATOM 171 O LYS A 11 -1.250 25.385 -3.255 1.00 0.00 O ATOM 172 CB LYS A 11 1.169 24.237 -5.107 1.00 0.00 C ATOM 173 CG LYS A 11 2.615 24.497 -5.465 1.00 0.00 C ATOM 174 CD LYS A 11 3.034 25.872 -4.981 1.00 0.00 C ATOM 175 CE LYS A 11 4.470 26.178 -5.275 1.00 0.00 C ATOM 176 NZ LYS A 11 4.857 27.427 -4.608 1.00 0.00 N ATOM 0 H LYS A 11 1.981 22.680 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 11 1.223 25.412 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.904 23.222 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.532 24.912 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.252 23.735 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.749 24.427 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.403 26.626 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.865 25.941 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.104 25.360 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.620 26.268 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.891 27.460 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.539 28.237 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.415 27.470 -3.668 1.00 0.00 H new ATOM 190 N ILE A 12 -1.063 23.146 -3.111 1.00 0.00 N ATOM 191 CA ILE A 12 -2.433 22.942 -2.684 1.00 0.00 C ATOM 192 C ILE A 12 -2.669 23.695 -1.367 1.00 0.00 C ATOM 193 O ILE A 12 -3.656 24.418 -1.217 1.00 0.00 O ATOM 194 CB ILE A 12 -2.756 21.433 -2.496 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.663 20.685 -3.831 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.124 21.245 -1.869 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.971 19.200 -3.736 1.00 0.00 C ATOM 0 H ILE A 12 -0.525 22.287 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.095 23.327 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.013 21.012 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.353 21.143 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.659 20.811 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.326 20.181 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.147 21.732 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.884 21.687 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.883 18.746 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.266 18.725 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.986 19.062 -3.363 1.00 0.00 H new ATOM 209 N THR A 13 -1.729 23.564 -0.457 1.00 0.00 N ATOM 210 CA THR A 13 -1.789 24.227 0.822 1.00 0.00 C ATOM 211 C THR A 13 -1.759 25.741 0.636 1.00 0.00 C ATOM 212 O THR A 13 -2.580 26.460 1.188 1.00 0.00 O ATOM 213 CB THR A 13 -0.599 23.820 1.703 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.510 22.376 1.759 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.777 24.367 3.111 1.00 0.00 C ATOM 0 H THR A 13 -0.896 22.990 -0.587 1.00 0.00 H new ATOM 0 HA THR A 13 -2.719 23.929 1.306 1.00 0.00 H new ATOM 0 HB THR A 13 0.315 24.230 1.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.022 22.048 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.073 24.072 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.838 25.455 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.694 23.967 3.543 1.00 0.00 H new ATOM 223 N GLU A 14 -0.848 26.196 -0.187 1.00 0.00 N ATOM 224 CA GLU A 14 -0.652 27.601 -0.423 1.00 0.00 C ATOM 225 C GLU A 14 -1.852 28.294 -1.059 1.00 0.00 C ATOM 226 O GLU A 14 -2.139 29.456 -0.748 1.00 0.00 O ATOM 227 CB GLU A 14 0.575 27.844 -1.266 1.00 0.00 C ATOM 228 CG GLU A 14 1.915 27.615 -0.590 1.00 0.00 C ATOM 229 CD GLU A 14 3.070 28.156 -1.420 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.867 27.375 -2.003 1.00 0.00 O ATOM 231 OE2 GLU A 14 3.199 29.388 -1.515 1.00 0.00 O ATOM 0 H GLU A 14 -0.217 25.595 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.518 28.041 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.520 27.199 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.545 28.873 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.915 28.096 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.058 26.548 -0.421 1.00 0.00 H new ATOM 238 N LYS A 15 -2.560 27.599 -1.914 1.00 0.00 N ATOM 239 CA LYS A 15 -3.607 28.192 -2.644 1.00 0.00 C ATOM 240 C LYS A 15 -4.943 27.932 -2.030 1.00 0.00 C ATOM 241 O LYS A 15 -5.748 28.838 -1.867 1.00 0.00 O ATOM 242 CB LYS A 15 -3.610 27.629 -4.039 1.00 0.00 C ATOM 243 CG LYS A 15 -3.133 28.586 -5.106 1.00 0.00 C ATOM 244 CD LYS A 15 -1.632 28.835 -5.019 1.00 0.00 C ATOM 245 CE LYS A 15 -1.230 29.954 -5.960 1.00 0.00 C ATOM 246 NZ LYS A 15 0.232 30.202 -5.986 1.00 0.00 N ATOM 0 H LYS A 15 -2.412 26.609 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.437 29.269 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.979 26.740 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.622 27.307 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.378 28.184 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.664 29.533 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.358 29.094 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.090 27.924 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.568 29.711 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.742 30.870 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.432 31.041 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.574 30.363 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.717 29.376 -6.392 1.00 0.00 H new ATOM 260 N CYS A 16 -5.167 26.714 -1.668 1.00 0.00 N ATOM 261 CA CYS A 16 -6.427 26.288 -1.272 1.00 0.00 C ATOM 262 C CYS A 16 -6.443 26.016 0.202 1.00 0.00 C ATOM 263 O CYS A 16 -7.420 26.291 0.879 1.00 0.00 O ATOM 264 CB CYS A 16 -6.724 25.032 -2.047 1.00 0.00 C ATOM 265 SG CYS A 16 -6.685 25.245 -3.845 1.00 0.00 S ATOM 0 H CYS A 16 -4.452 25.987 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.180 27.051 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.001 24.266 -1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.708 24.663 -1.757 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.648 24.632 -4.332 1.00 0.00 H new ATOM 271 N GLY A 17 -5.368 25.485 0.705 1.00 0.00 N ATOM 272 CA GLY A 17 -5.318 25.140 2.068 1.00 0.00 C ATOM 273 C GLY A 17 -5.121 23.681 2.242 1.00 0.00 C ATOM 274 O GLY A 17 -4.082 23.227 2.702 1.00 0.00 O ATOM 0 H GLY A 17 -4.518 25.286 0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.505 25.680 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.242 25.446 2.558 1.00 0.00 H new ATOM 278 N THR A 18 -6.098 22.944 1.832 1.00 0.00 N ATOM 279 CA THR A 18 -6.103 21.510 1.978 1.00 0.00 C ATOM 280 C THR A 18 -6.547 20.887 0.664 1.00 0.00 C ATOM 281 O THR A 18 -6.987 21.619 -0.249 1.00 0.00 O ATOM 282 CB THR A 18 -7.072 21.093 3.121 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.428 21.460 2.781 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.683 21.809 4.402 1.00 0.00 C ATOM 0 H THR A 18 -6.932 23.317 1.378 1.00 0.00 H new ATOM 0 HA THR A 18 -5.102 21.162 2.231 1.00 0.00 H new ATOM 0 HB THR A 18 -7.008 20.014 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.005 21.340 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.362 21.517 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.663 21.539 4.675 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.744 22.887 4.250 1.00 0.00 H new ATOM 292 N GLN A 19 -6.466 19.557 0.559 1.00 0.00 N ATOM 293 CA GLN A 19 -6.859 18.851 -0.667 1.00 0.00 C ATOM 294 C GLN A 19 -8.364 18.916 -0.811 1.00 0.00 C ATOM 295 O GLN A 19 -8.908 18.857 -1.913 1.00 0.00 O ATOM 296 CB GLN A 19 -6.410 17.392 -0.632 1.00 0.00 C ATOM 297 CG GLN A 19 -4.926 17.201 -0.379 1.00 0.00 C ATOM 298 CD GLN A 19 -4.528 15.740 -0.366 1.00 0.00 C ATOM 299 OE1 GLN A 19 -5.327 14.868 -0.030 1.00 0.00 O ATOM 300 NE2 GLN A 19 -3.293 15.462 -0.698 1.00 0.00 N ATOM 0 H GLN A 19 -6.133 18.948 1.306 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.376 19.332 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.969 16.871 0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.668 16.922 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.358 17.723 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.661 17.656 0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.657 16.211 -0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.966 14.496 -0.683 1.00 0.00 H new ATOM 309 N TYR A 20 -9.016 19.054 0.323 1.00 0.00 N ATOM 310 CA TYR A 20 -10.441 19.207 0.395 1.00 0.00 C ATOM 311 C TYR A 20 -10.832 20.483 -0.296 1.00 0.00 C ATOM 312 O TYR A 20 -11.623 20.484 -1.229 1.00 0.00 O ATOM 313 CB TYR A 20 -10.861 19.303 1.844 1.00 0.00 C ATOM 314 CG TYR A 20 -12.352 19.404 2.032 1.00 0.00 C ATOM 315 CD1 TYR A 20 -13.178 18.318 1.803 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.930 20.594 2.433 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.546 18.415 1.970 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.288 20.703 2.604 1.00 0.00 C ATOM 319 CZ TYR A 20 -15.095 19.616 2.372 1.00 0.00 C ATOM 320 OH TYR A 20 -16.463 19.732 2.542 1.00 0.00 O ATOM 0 H TYR A 20 -8.556 19.062 1.234 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.923 18.353 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.494 18.427 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.386 20.174 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.746 17.379 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.302 21.454 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.180 17.560 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.720 21.641 2.920 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.681 20.644 2.828 1.00 0.00 H new ATOM 330 N ASN A 21 -10.254 21.566 0.183 1.00 0.00 N ATOM 331 CA ASN A 21 -10.514 22.901 -0.349 1.00 0.00 C ATOM 332 C ASN A 21 -10.190 22.958 -1.832 1.00 0.00 C ATOM 333 O ASN A 21 -10.905 23.598 -2.616 1.00 0.00 O ATOM 334 CB ASN A 21 -9.671 23.955 0.353 1.00 0.00 C ATOM 335 CG ASN A 21 -9.873 24.076 1.847 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.906 23.696 2.392 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.916 24.696 2.499 1.00 0.00 N ATOM 0 H ASN A 21 -9.587 21.552 0.955 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.571 23.106 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.620 23.736 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.882 24.923 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.015 24.879 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.074 24.995 2.007 1.00 0.00 H new ATOM 344 N PHE A 22 -9.088 22.317 -2.183 1.00 0.00 N ATOM 345 CA PHE A 22 -8.620 22.168 -3.568 1.00 0.00 C ATOM 346 C PHE A 22 -9.737 21.626 -4.422 1.00 0.00 C ATOM 347 O PHE A 22 -10.138 22.243 -5.417 1.00 0.00 O ATOM 348 CB PHE A 22 -7.474 21.167 -3.581 1.00 0.00 C ATOM 349 CG PHE A 22 -6.789 20.967 -4.911 1.00 0.00 C ATOM 350 CD1 PHE A 22 -7.142 19.906 -5.731 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.787 21.821 -5.331 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.514 19.704 -6.940 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.154 21.622 -6.543 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.517 20.563 -7.348 1.00 0.00 C ATOM 0 H PHE A 22 -8.472 21.872 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.297 23.134 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.728 21.489 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.855 20.204 -3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.921 19.228 -5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.496 22.652 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.803 18.874 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.373 22.297 -6.860 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.022 20.407 -8.295 1.00 0.00 H new ATOM 364 N ALA A 23 -10.250 20.482 -3.992 1.00 0.00 N ATOM 365 CA ALA A 23 -11.337 19.795 -4.660 1.00 0.00 C ATOM 366 C ALA A 23 -12.519 20.741 -4.888 1.00 0.00 C ATOM 367 O ALA A 23 -13.011 20.859 -6.004 1.00 0.00 O ATOM 368 CB ALA A 23 -11.790 18.614 -3.821 1.00 0.00 C ATOM 0 H ALA A 23 -9.915 20.001 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.979 19.444 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.607 18.100 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.957 17.924 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.131 18.968 -2.848 1.00 0.00 H new ATOM 374 N ILE A 24 -12.920 21.456 -3.829 1.00 0.00 N ATOM 375 CA ILE A 24 -14.057 22.371 -3.861 1.00 0.00 C ATOM 376 C ILE A 24 -13.905 23.406 -4.979 1.00 0.00 C ATOM 377 O ILE A 24 -14.799 23.570 -5.825 1.00 0.00 O ATOM 378 CB ILE A 24 -14.172 23.146 -2.537 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.142 22.202 -1.333 1.00 0.00 C ATOM 380 CG2 ILE A 24 -15.448 23.994 -2.517 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.258 21.195 -1.255 1.00 0.00 C ATOM 0 H ILE A 24 -12.458 21.412 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.944 21.760 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.309 23.809 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.194 21.664 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.158 22.804 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.511 24.534 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -15.424 24.706 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -16.318 23.345 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.133 20.582 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.215 21.715 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.235 20.558 -2.139 1.00 0.00 H new ATOM 393 N ALA A 25 -12.752 24.060 -4.998 1.00 0.00 N ATOM 394 CA ALA A 25 -12.468 25.136 -5.939 1.00 0.00 C ATOM 395 C ALA A 25 -12.331 24.616 -7.363 1.00 0.00 C ATOM 396 O ALA A 25 -12.735 25.277 -8.322 1.00 0.00 O ATOM 397 CB ALA A 25 -11.212 25.887 -5.519 1.00 0.00 C ATOM 0 H ALA A 25 -11.983 23.859 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.313 25.824 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.012 26.688 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.357 26.312 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.366 25.199 -5.499 1.00 0.00 H new ATOM 403 N MET A 26 -11.779 23.434 -7.499 1.00 0.00 N ATOM 404 CA MET A 26 -11.582 22.830 -8.765 1.00 0.00 C ATOM 405 C MET A 26 -12.897 22.281 -9.331 1.00 0.00 C ATOM 406 O MET A 26 -13.025 22.051 -10.539 1.00 0.00 O ATOM 407 CB MET A 26 -10.579 21.726 -8.611 1.00 0.00 C ATOM 408 CG MET A 26 -9.992 21.346 -9.907 1.00 0.00 C ATOM 409 SD MET A 26 -8.655 20.176 -9.781 1.00 0.00 S ATOM 410 CE MET A 26 -8.284 20.013 -11.509 1.00 0.00 C ATOM 0 H MET A 26 -11.455 22.869 -6.714 1.00 0.00 H new ATOM 0 HA MET A 26 -11.215 23.578 -9.468 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.788 22.044 -7.931 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.058 20.858 -8.159 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.773 20.923 -10.538 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.630 22.244 -10.407 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.460 19.311 -11.640 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.163 19.643 -12.037 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.000 20.985 -11.913 1.00 0.00 H new ATOM 420 N GLY A 27 -13.872 22.096 -8.468 1.00 0.00 N ATOM 421 CA GLY A 27 -15.152 21.566 -8.892 1.00 0.00 C ATOM 422 C GLY A 27 -15.149 20.067 -8.829 1.00 0.00 C ATOM 423 O GLY A 27 -15.884 19.392 -9.547 1.00 0.00 O ATOM 0 H GLY A 27 -13.805 22.303 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.944 21.961 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.368 21.892 -9.909 1.00 0.00 H new ATOM 427 N LEU A 28 -14.300 19.551 -7.986 1.00 0.00 N ATOM 428 CA LEU A 28 -14.153 18.140 -7.806 1.00 0.00 C ATOM 429 C LEU A 28 -14.658 17.723 -6.458 1.00 0.00 C ATOM 430 O LEU A 28 -14.857 18.544 -5.561 1.00 0.00 O ATOM 431 CB LEU A 28 -12.683 17.732 -7.883 1.00 0.00 C ATOM 432 CG LEU A 28 -11.962 17.933 -9.198 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.549 17.436 -9.070 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.652 17.179 -10.280 1.00 0.00 C ATOM 0 H LEU A 28 -13.683 20.110 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.725 17.657 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.141 18.286 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.615 16.676 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.962 18.994 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.026 17.579 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.037 17.992 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.558 16.376 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.125 17.330 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.660 16.117 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.677 17.537 -10.376 1.00 0.00 H new ATOM 446 N SER A 29 -14.844 16.464 -6.318 1.00 0.00 N ATOM 447 CA SER A 29 -15.147 15.887 -5.068 1.00 0.00 C ATOM 448 C SER A 29 -13.836 15.323 -4.607 1.00 0.00 C ATOM 449 O SER A 29 -13.124 14.704 -5.410 1.00 0.00 O ATOM 450 CB SER A 29 -16.171 14.760 -5.226 1.00 0.00 C ATOM 451 OG SER A 29 -16.691 14.298 -3.972 1.00 0.00 O ATOM 0 H SER A 29 -14.788 15.794 -7.085 1.00 0.00 H new ATOM 0 HA SER A 29 -15.577 16.606 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.995 15.109 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.707 13.925 -5.751 1.00 0.00 H new ATOM 0 HG SER A 29 -15.973 13.877 -3.455 1.00 0.00 H new ATOM 457 N GLU A 30 -13.525 15.530 -3.357 1.00 0.00 N ATOM 458 CA GLU A 30 -12.264 15.098 -2.726 1.00 0.00 C ATOM 459 C GLU A 30 -11.855 13.676 -3.064 1.00 0.00 C ATOM 460 O GLU A 30 -10.684 13.400 -3.315 1.00 0.00 O ATOM 461 CB GLU A 30 -12.310 15.288 -1.212 1.00 0.00 C ATOM 462 CG GLU A 30 -13.683 15.167 -0.557 1.00 0.00 C ATOM 463 CD GLU A 30 -14.471 13.902 -0.860 1.00 0.00 C ATOM 464 OE1 GLU A 30 -15.160 13.846 -1.909 1.00 0.00 O ATOM 465 OE2 GLU A 30 -14.465 12.971 -0.050 1.00 0.00 O ATOM 0 H GLU A 30 -14.147 16.017 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.497 15.745 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.647 14.554 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.905 16.273 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.553 15.237 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.283 16.024 -0.862 1.00 0.00 H new ATOM 472 N ARG A 31 -12.831 12.808 -3.111 1.00 0.00 N ATOM 473 CA ARG A 31 -12.643 11.413 -3.376 1.00 0.00 C ATOM 474 C ARG A 31 -12.033 11.204 -4.753 1.00 0.00 C ATOM 475 O ARG A 31 -11.088 10.455 -4.915 1.00 0.00 O ATOM 476 CB ARG A 31 -13.990 10.733 -3.333 1.00 0.00 C ATOM 477 CG ARG A 31 -13.936 9.214 -3.317 1.00 0.00 C ATOM 478 CD ARG A 31 -13.188 8.690 -2.105 1.00 0.00 C ATOM 479 NE ARG A 31 -13.205 7.227 -2.048 1.00 0.00 N ATOM 480 CZ ARG A 31 -12.887 6.493 -0.970 1.00 0.00 C ATOM 481 NH1 ARG A 31 -12.423 7.084 0.137 1.00 0.00 N ATOM 482 NH2 ARG A 31 -12.992 5.167 -1.020 1.00 0.00 N ATOM 0 H ARG A 31 -13.807 13.064 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.970 10.995 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.525 11.073 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.571 11.053 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.950 8.814 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.451 8.858 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.156 9.041 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.637 9.095 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.480 6.727 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.309 8.097 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.183 6.521 0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.313 4.713 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.751 4.605 -0.203 1.00 0.00 H new ATOM 496 N THR A 32 -12.545 11.936 -5.703 1.00 0.00 N ATOM 497 CA THR A 32 -12.164 11.789 -7.088 1.00 0.00 C ATOM 498 C THR A 32 -10.739 12.288 -7.306 1.00 0.00 C ATOM 499 O THR A 32 -9.953 11.654 -7.997 1.00 0.00 O ATOM 500 CB THR A 32 -13.151 12.557 -7.990 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.498 12.184 -7.621 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.927 12.219 -9.462 1.00 0.00 C ATOM 0 H THR A 32 -13.245 12.659 -5.540 1.00 0.00 H new ATOM 0 HA THR A 32 -12.198 10.732 -7.352 1.00 0.00 H new ATOM 0 HB THR A 32 -12.992 13.627 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.137 12.666 -8.186 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.637 12.775 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.911 12.491 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.074 11.150 -9.616 1.00 0.00 H new ATOM 510 N VAL A 33 -10.408 13.403 -6.666 1.00 0.00 N ATOM 511 CA VAL A 33 -9.083 14.001 -6.760 1.00 0.00 C ATOM 512 C VAL A 33 -8.097 13.042 -6.157 1.00 0.00 C ATOM 513 O VAL A 33 -7.003 12.821 -6.690 1.00 0.00 O ATOM 514 CB VAL A 33 -8.993 15.297 -5.934 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.124 16.299 -6.580 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.317 15.867 -5.654 1.00 0.00 C ATOM 0 H VAL A 33 -11.052 13.918 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.879 14.218 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.542 15.023 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.087 17.199 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.119 15.892 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.524 16.547 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.204 16.780 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.820 16.098 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.912 15.147 -5.092 1.00 0.00 H new ATOM 526 N SER A 34 -8.532 12.455 -5.051 1.00 0.00 N ATOM 527 CA SER A 34 -7.765 11.530 -4.290 1.00 0.00 C ATOM 528 C SER A 34 -7.330 10.376 -5.172 1.00 0.00 C ATOM 529 O SER A 34 -6.177 10.010 -5.195 1.00 0.00 O ATOM 530 CB SER A 34 -8.614 10.980 -3.148 1.00 0.00 C ATOM 531 OG SER A 34 -7.844 10.232 -2.211 1.00 0.00 O ATOM 0 H SER A 34 -9.459 12.627 -4.662 1.00 0.00 H new ATOM 0 HA SER A 34 -6.889 12.041 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.105 11.806 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.401 10.346 -3.556 1.00 0.00 H new ATOM 0 HG SER A 34 -8.428 9.901 -1.497 1.00 0.00 H new ATOM 537 N LEU A 35 -8.286 9.837 -5.902 1.00 0.00 N ATOM 538 CA LEU A 35 -8.070 8.688 -6.780 1.00 0.00 C ATOM 539 C LEU A 35 -6.915 8.905 -7.777 1.00 0.00 C ATOM 540 O LEU A 35 -6.028 8.039 -7.900 1.00 0.00 O ATOM 541 CB LEU A 35 -9.356 8.318 -7.518 1.00 0.00 C ATOM 542 CG LEU A 35 -10.582 8.047 -6.635 1.00 0.00 C ATOM 543 CD1 LEU A 35 -11.776 7.629 -7.471 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.295 7.023 -5.533 1.00 0.00 C ATOM 0 H LEU A 35 -9.246 10.182 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.779 7.857 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.601 9.125 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.163 7.431 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.825 8.986 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.630 7.444 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.023 8.423 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.535 6.719 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.195 6.868 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.991 6.079 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.495 7.393 -4.892 1.00 0.00 H new ATOM 556 N LYS A 36 -6.901 10.060 -8.459 1.00 0.00 N ATOM 557 CA LYS A 36 -5.859 10.371 -9.414 1.00 0.00 C ATOM 558 C LYS A 36 -4.529 10.619 -8.726 1.00 0.00 C ATOM 559 O LYS A 36 -3.484 10.181 -9.197 1.00 0.00 O ATOM 560 CB LYS A 36 -6.198 11.611 -10.238 1.00 0.00 C ATOM 561 CG LYS A 36 -7.278 11.443 -11.279 1.00 0.00 C ATOM 562 CD LYS A 36 -8.660 11.735 -10.747 1.00 0.00 C ATOM 563 CE LYS A 36 -9.703 11.565 -11.835 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.403 12.396 -13.020 1.00 0.00 N ATOM 0 H LYS A 36 -7.608 10.788 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.784 9.503 -10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.501 12.404 -9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.290 11.950 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.071 12.105 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.250 10.423 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.883 11.067 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.697 12.752 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.753 10.517 -12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.684 11.833 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.235 12.426 -13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.163 13.361 -12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.599 11.986 -13.537 1.00 0.00 H new ATOM 578 N LEU A 37 -4.588 11.321 -7.609 1.00 0.00 N ATOM 579 CA LEU A 37 -3.407 11.703 -6.857 1.00 0.00 C ATOM 580 C LEU A 37 -2.773 10.493 -6.218 1.00 0.00 C ATOM 581 O LEU A 37 -1.563 10.434 -6.024 1.00 0.00 O ATOM 582 CB LEU A 37 -3.794 12.729 -5.788 1.00 0.00 C ATOM 583 CG LEU A 37 -2.689 13.318 -4.959 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.044 14.450 -5.669 1.00 0.00 C ATOM 585 CD2 LEU A 37 -3.169 13.705 -3.579 1.00 0.00 C ATOM 0 H LEU A 37 -5.463 11.644 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.680 12.148 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.317 13.548 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.507 12.257 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.930 12.549 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.247 14.861 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.626 14.097 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.785 15.224 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.340 14.127 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.964 14.445 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.549 12.822 -3.065 1.00 0.00 H new ATOM 597 N ASN A 38 -3.597 9.533 -5.898 1.00 0.00 N ATOM 598 CA ASN A 38 -3.128 8.358 -5.253 1.00 0.00 C ATOM 599 C ASN A 38 -2.469 7.420 -6.253 1.00 0.00 C ATOM 600 O ASN A 38 -1.266 7.150 -6.141 1.00 0.00 O ATOM 601 CB ASN A 38 -4.249 7.644 -4.484 1.00 0.00 C ATOM 602 CG ASN A 38 -3.749 6.490 -3.623 1.00 0.00 C ATOM 603 OD1 ASN A 38 -3.373 6.689 -2.466 1.00 0.00 O ATOM 604 ND2 ASN A 38 -3.789 5.286 -4.137 1.00 0.00 N ATOM 0 H ASN A 38 -4.601 9.551 -6.079 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.378 8.662 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.762 8.366 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.984 7.266 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.504 4.483 -3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.105 5.152 -5.098 1.00 0.00 H new ATOM 611 N ASP A 39 -3.242 6.944 -7.264 1.00 0.00 N ATOM 612 CA ASP A 39 -2.692 5.979 -8.251 1.00 0.00 C ATOM 613 C ASP A 39 -3.674 5.551 -9.355 1.00 0.00 C ATOM 614 O ASP A 39 -3.233 5.264 -10.467 1.00 0.00 O ATOM 615 CB ASP A 39 -2.153 4.705 -7.560 1.00 0.00 C ATOM 616 CG ASP A 39 -1.596 3.700 -8.543 1.00 0.00 C ATOM 617 OD1 ASP A 39 -0.479 3.898 -9.037 1.00 0.00 O ATOM 618 OD2 ASP A 39 -2.271 2.697 -8.830 1.00 0.00 O ATOM 0 H ASP A 39 -4.217 7.203 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.885 6.532 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.374 4.983 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.955 4.240 -6.987 1.00 0.00 H new ATOM 623 N LYS A 40 -4.991 5.544 -9.063 1.00 0.00 N ATOM 624 CA LYS A 40 -5.998 4.967 -9.948 1.00 0.00 C ATOM 625 C LYS A 40 -5.908 5.389 -11.401 1.00 0.00 C ATOM 626 O LYS A 40 -6.031 4.549 -12.298 1.00 0.00 O ATOM 627 CB LYS A 40 -7.395 5.199 -9.423 1.00 0.00 C ATOM 628 CG LYS A 40 -7.762 4.360 -8.223 1.00 0.00 C ATOM 629 CD LYS A 40 -9.256 4.404 -7.982 1.00 0.00 C ATOM 630 CE LYS A 40 -9.684 3.452 -6.872 1.00 0.00 C ATOM 631 NZ LYS A 40 -9.448 2.032 -7.228 1.00 0.00 N ATOM 0 H LYS A 40 -5.376 5.940 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.772 3.901 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.500 6.252 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.108 4.998 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.443 3.330 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.235 4.725 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.551 5.420 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.779 4.146 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.137 3.691 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.742 3.600 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.961 1.418 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.787 1.856 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.430 1.825 -7.175 1.00 0.00 H new ATOM 645 N VAL A 41 -5.687 6.642 -11.639 1.00 0.00 N ATOM 646 CA VAL A 41 -5.583 7.132 -12.978 1.00 0.00 C ATOM 647 C VAL A 41 -4.764 8.399 -12.897 1.00 0.00 C ATOM 648 O VAL A 41 -4.604 8.937 -11.809 1.00 0.00 O ATOM 649 CB VAL A 41 -7.008 7.408 -13.577 1.00 0.00 C ATOM 650 CG1 VAL A 41 -7.722 8.530 -12.903 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.018 7.534 -15.088 1.00 0.00 C ATOM 0 H VAL A 41 -5.574 7.352 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.109 6.405 -13.637 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.583 6.509 -13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.700 8.668 -13.364 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.849 8.297 -11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.140 9.446 -13.005 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.035 7.724 -15.431 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.374 8.360 -15.388 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.652 6.608 -15.533 1.00 0.00 H new ATOM 661 N THR A 42 -4.215 8.847 -13.977 1.00 0.00 N ATOM 662 CA THR A 42 -3.461 10.048 -13.948 1.00 0.00 C ATOM 663 C THR A 42 -4.417 11.210 -14.279 1.00 0.00 C ATOM 664 O THR A 42 -5.555 10.981 -14.714 1.00 0.00 O ATOM 665 CB THR A 42 -2.304 9.959 -14.967 1.00 0.00 C ATOM 666 OG1 THR A 42 -1.710 8.648 -14.863 1.00 0.00 O ATOM 667 CG2 THR A 42 -1.224 10.981 -14.657 1.00 0.00 C ATOM 0 H THR A 42 -4.277 8.396 -14.890 1.00 0.00 H new ATOM 0 HA THR A 42 -3.019 10.213 -12.965 1.00 0.00 H new ATOM 0 HB THR A 42 -2.702 10.149 -15.964 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.973 8.571 -15.504 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.422 10.896 -15.390 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.649 11.984 -14.699 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.825 10.797 -13.659 1.00 0.00 H new ATOM 675 N TRP A 43 -3.988 12.414 -14.038 1.00 0.00 N ATOM 676 CA TRP A 43 -4.789 13.579 -14.318 1.00 0.00 C ATOM 677 C TRP A 43 -4.879 13.784 -15.803 1.00 0.00 C ATOM 678 O TRP A 43 -3.882 13.599 -16.527 1.00 0.00 O ATOM 679 CB TRP A 43 -4.164 14.820 -13.689 1.00 0.00 C ATOM 680 CG TRP A 43 -4.064 14.767 -12.205 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.961 15.264 -11.310 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.005 14.188 -11.436 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.522 15.035 -10.036 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.326 14.373 -10.086 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.815 13.525 -11.763 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.506 13.933 -9.064 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.003 13.086 -10.742 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.353 13.288 -9.409 1.00 0.00 C ATOM 0 H TRP A 43 -3.072 12.621 -13.641 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.783 13.423 -13.899 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.166 14.961 -14.104 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.753 15.693 -13.971 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.882 15.765 -11.568 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.009 15.313 -9.184 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.540 13.362 -12.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.768 14.094 -8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.080 12.577 -10.978 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.698 12.926 -8.631 1.00 0.00 H new ATOM 699 N LYS A 44 -6.043 14.116 -16.268 1.00 0.00 N ATOM 700 CA LYS A 44 -6.228 14.443 -17.638 1.00 0.00 C ATOM 701 C LYS A 44 -5.620 15.789 -17.896 1.00 0.00 C ATOM 702 O LYS A 44 -5.458 16.584 -16.960 1.00 0.00 O ATOM 703 CB LYS A 44 -7.687 14.480 -17.970 1.00 0.00 C ATOM 704 CG LYS A 44 -8.364 13.149 -17.817 1.00 0.00 C ATOM 705 CD LYS A 44 -9.805 13.296 -18.126 1.00 0.00 C ATOM 706 CE LYS A 44 -10.599 12.046 -17.775 1.00 0.00 C ATOM 707 NZ LYS A 44 -10.192 10.862 -18.557 1.00 0.00 N ATOM 0 H LYS A 44 -6.891 14.167 -15.703 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.749 13.687 -18.261 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.181 15.207 -17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.811 14.827 -18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.909 12.418 -18.485 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.234 12.776 -16.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.208 14.146 -17.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.927 13.516 -19.187 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.477 11.832 -16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.659 12.237 -17.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.768 10.044 -18.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.333 11.050 -19.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.188 10.657 -18.379 1.00 0.00 H new ATOM 721 N ASP A 45 -5.291 16.064 -19.129 1.00 0.00 N ATOM 722 CA ASP A 45 -4.693 17.345 -19.496 1.00 0.00 C ATOM 723 C ASP A 45 -5.600 18.513 -19.109 1.00 0.00 C ATOM 724 O ASP A 45 -5.124 19.555 -18.679 1.00 0.00 O ATOM 725 CB ASP A 45 -4.321 17.363 -20.976 1.00 0.00 C ATOM 726 CG ASP A 45 -3.785 18.689 -21.453 1.00 0.00 C ATOM 727 OD1 ASP A 45 -2.664 19.067 -21.069 1.00 0.00 O ATOM 728 OD2 ASP A 45 -4.448 19.344 -22.274 1.00 0.00 O ATOM 0 H ASP A 45 -5.423 15.422 -19.910 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.770 17.468 -18.930 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.574 16.591 -21.163 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.201 17.104 -21.565 1.00 0.00 H new ATOM 733 N ASP A 46 -6.913 18.291 -19.191 1.00 0.00 N ATOM 734 CA ASP A 46 -7.909 19.290 -18.746 1.00 0.00 C ATOM 735 C ASP A 46 -7.755 19.600 -17.274 1.00 0.00 C ATOM 736 O ASP A 46 -7.878 20.746 -16.860 1.00 0.00 O ATOM 737 CB ASP A 46 -9.363 18.839 -18.984 1.00 0.00 C ATOM 738 CG ASP A 46 -9.833 18.960 -20.403 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.236 20.067 -20.814 1.00 0.00 O ATOM 740 OD2 ASP A 46 -9.864 17.943 -21.125 1.00 0.00 O ATOM 0 H ASP A 46 -7.320 17.431 -19.560 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.713 20.177 -19.348 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.463 17.800 -18.670 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.021 19.429 -18.346 1.00 0.00 H new ATOM 745 N GLU A 47 -7.452 18.585 -16.491 1.00 0.00 N ATOM 746 CA GLU A 47 -7.324 18.743 -15.056 1.00 0.00 C ATOM 747 C GLU A 47 -6.032 19.478 -14.761 1.00 0.00 C ATOM 748 O GLU A 47 -5.994 20.407 -13.942 1.00 0.00 O ATOM 749 CB GLU A 47 -7.354 17.376 -14.356 1.00 0.00 C ATOM 750 CG GLU A 47 -8.641 16.594 -14.597 1.00 0.00 C ATOM 751 CD GLU A 47 -8.643 15.230 -13.944 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.050 14.289 -14.504 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.277 15.053 -12.880 1.00 0.00 O ATOM 0 H GLU A 47 -7.289 17.636 -16.827 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.164 19.323 -14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.508 16.782 -14.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.224 17.523 -13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.485 17.171 -14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.791 16.476 -15.670 1.00 0.00 H new ATOM 760 N ILE A 48 -4.997 19.098 -15.487 1.00 0.00 N ATOM 761 CA ILE A 48 -3.691 19.706 -15.367 1.00 0.00 C ATOM 762 C ILE A 48 -3.758 21.197 -15.725 1.00 0.00 C ATOM 763 O ILE A 48 -3.356 22.038 -14.927 1.00 0.00 O ATOM 764 CB ILE A 48 -2.643 18.981 -16.265 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.558 17.495 -15.877 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.270 19.644 -16.141 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.609 16.675 -16.726 1.00 0.00 C ATOM 0 H ILE A 48 -5.043 18.352 -16.181 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.371 19.606 -14.330 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.964 19.058 -17.304 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.247 17.422 -14.835 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.554 17.058 -15.944 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.555 19.121 -16.776 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.339 20.686 -16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.936 19.598 -15.104 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.613 15.641 -16.381 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.928 16.712 -17.767 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.601 17.082 -16.641 1.00 0.00 H new ATOM 779 N LEU A 49 -4.336 21.517 -16.891 1.00 0.00 N ATOM 780 CA LEU A 49 -4.415 22.899 -17.360 1.00 0.00 C ATOM 781 C LEU A 49 -5.186 23.810 -16.402 1.00 0.00 C ATOM 782 O LEU A 49 -4.926 25.025 -16.332 1.00 0.00 O ATOM 783 CB LEU A 49 -4.887 22.990 -18.833 1.00 0.00 C ATOM 784 CG LEU A 49 -6.293 22.555 -19.143 1.00 0.00 C ATOM 785 CD1 LEU A 49 -7.282 23.631 -18.762 1.00 0.00 C ATOM 786 CD2 LEU A 49 -6.426 22.161 -20.593 1.00 0.00 C ATOM 0 H LEU A 49 -4.754 20.835 -17.523 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.398 23.292 -17.355 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.776 24.025 -19.158 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.209 22.391 -19.441 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.521 21.673 -18.544 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.293 23.295 -18.995 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.204 23.835 -17.694 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.064 24.540 -19.322 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.451 21.850 -20.793 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.175 23.012 -21.226 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.748 21.335 -20.809 1.00 0.00 H new ATOM 798 N LYS A 50 -6.118 23.227 -15.656 1.00 0.00 N ATOM 799 CA LYS A 50 -6.852 23.947 -14.662 1.00 0.00 C ATOM 800 C LYS A 50 -5.972 24.229 -13.460 1.00 0.00 C ATOM 801 O LYS A 50 -5.776 25.382 -13.078 1.00 0.00 O ATOM 802 CB LYS A 50 -8.084 23.167 -14.249 1.00 0.00 C ATOM 803 CG LYS A 50 -9.179 23.137 -15.298 1.00 0.00 C ATOM 804 CD LYS A 50 -9.823 24.505 -15.475 1.00 0.00 C ATOM 805 CE LYS A 50 -10.637 24.564 -16.748 1.00 0.00 C ATOM 806 NZ LYS A 50 -11.734 23.578 -16.778 1.00 0.00 N ATOM 0 H LYS A 50 -6.374 22.243 -15.735 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.173 24.899 -15.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.791 22.143 -14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.485 23.601 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.763 22.804 -16.249 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.939 22.411 -15.011 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.463 24.722 -14.620 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.050 25.274 -15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.053 25.565 -16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.980 24.394 -17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.297 23.711 -17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.337 22.617 -16.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.342 23.710 -15.945 1.00 0.00 H new ATOM 820 N ALA A 51 -5.387 23.167 -12.918 1.00 0.00 N ATOM 821 CA ALA A 51 -4.553 23.246 -11.726 1.00 0.00 C ATOM 822 C ALA A 51 -3.362 24.183 -11.925 1.00 0.00 C ATOM 823 O ALA A 51 -3.136 25.068 -11.116 1.00 0.00 O ATOM 824 CB ALA A 51 -4.085 21.858 -11.308 1.00 0.00 C ATOM 0 H ALA A 51 -5.479 22.224 -13.295 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.163 23.664 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.463 21.937 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.951 21.232 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.506 21.411 -12.116 1.00 0.00 H new ATOM 830 N VAL A 52 -2.656 24.018 -13.037 1.00 0.00 N ATOM 831 CA VAL A 52 -1.459 24.819 -13.368 1.00 0.00 C ATOM 832 C VAL A 52 -1.727 26.321 -13.302 1.00 0.00 C ATOM 833 O VAL A 52 -0.905 27.080 -12.790 1.00 0.00 O ATOM 834 CB VAL A 52 -0.920 24.450 -14.786 1.00 0.00 C ATOM 835 CG1 VAL A 52 0.237 25.345 -15.217 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.470 23.016 -14.804 1.00 0.00 C ATOM 0 H VAL A 52 -2.890 23.323 -13.746 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.708 24.578 -12.616 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.738 24.600 -15.490 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.576 25.048 -16.209 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.096 26.383 -15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.058 25.245 -14.508 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.095 22.765 -15.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.323 22.874 -14.070 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.311 22.368 -14.559 1.00 0.00 H new ATOM 846 N HIS A 53 -2.890 26.736 -13.745 1.00 0.00 N ATOM 847 CA HIS A 53 -3.173 28.153 -13.834 1.00 0.00 C ATOM 848 C HIS A 53 -3.624 28.707 -12.496 1.00 0.00 C ATOM 849 O HIS A 53 -3.469 29.888 -12.219 1.00 0.00 O ATOM 850 CB HIS A 53 -4.248 28.411 -14.861 1.00 0.00 C ATOM 851 CG HIS A 53 -4.130 29.763 -15.490 1.00 0.00 C ATOM 852 ND1 HIS A 53 -4.783 30.878 -15.033 1.00 0.00 N ATOM 853 CD2 HIS A 53 -3.386 30.172 -16.538 1.00 0.00 C ATOM 854 CE1 HIS A 53 -4.443 31.912 -15.766 1.00 0.00 C ATOM 855 NE2 HIS A 53 -3.597 31.509 -16.687 1.00 0.00 N ATOM 0 H HIS A 53 -3.648 26.124 -14.046 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.252 28.654 -14.132 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.195 27.647 -15.637 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.226 28.318 -14.389 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.742 29.554 -17.146 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.798 32.923 -15.634 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.168 32.101 -17.398 1.00 0.00 H new ATOM 863 N VAL A 54 -4.148 27.853 -11.671 1.00 0.00 N ATOM 864 CA VAL A 54 -4.704 28.278 -10.402 1.00 0.00 C ATOM 865 C VAL A 54 -3.622 28.268 -9.361 1.00 0.00 C ATOM 866 O VAL A 54 -3.344 29.270 -8.707 1.00 0.00 O ATOM 867 CB VAL A 54 -5.867 27.343 -9.958 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.378 27.702 -8.566 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.001 27.383 -10.964 1.00 0.00 C ATOM 0 H VAL A 54 -4.207 26.850 -11.846 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.104 29.286 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.472 26.328 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.189 27.028 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.566 27.607 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.744 28.729 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.803 26.723 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.380 28.402 -11.045 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.636 27.053 -11.937 1.00 0.00 H new ATOM 879 N LEU A 55 -2.987 27.142 -9.261 1.00 0.00 N ATOM 880 CA LEU A 55 -1.971 26.864 -8.333 1.00 0.00 C ATOM 881 C LEU A 55 -0.666 27.578 -8.673 1.00 0.00 C ATOM 882 O LEU A 55 0.228 27.675 -7.826 1.00 0.00 O ATOM 883 CB LEU A 55 -1.791 25.369 -8.372 1.00 0.00 C ATOM 884 CG LEU A 55 -2.833 24.476 -7.658 1.00 0.00 C ATOM 885 CD1 LEU A 55 -2.692 24.543 -6.163 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.280 24.776 -8.040 1.00 0.00 C ATOM 0 H LEU A 55 -3.189 26.351 -9.872 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.245 27.220 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.759 25.067 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.814 25.143 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.610 23.467 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.441 23.903 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.696 24.204 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.836 25.571 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.946 24.107 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.517 25.809 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.412 24.627 -9.112 1.00 0.00 H new ATOM 898 N GLU A 56 -0.597 28.103 -9.891 1.00 0.00 N ATOM 899 CA GLU A 56 0.570 28.778 -10.431 1.00 0.00 C ATOM 900 C GLU A 56 1.729 27.826 -10.534 1.00 0.00 C ATOM 901 O GLU A 56 2.647 27.816 -9.688 1.00 0.00 O ATOM 902 CB GLU A 56 0.968 30.040 -9.663 1.00 0.00 C ATOM 903 CG GLU A 56 -0.043 31.160 -9.702 1.00 0.00 C ATOM 904 CD GLU A 56 0.429 32.339 -8.905 1.00 0.00 C ATOM 905 OE1 GLU A 56 0.181 32.372 -7.685 1.00 0.00 O ATOM 906 OE2 GLU A 56 1.080 33.246 -9.475 1.00 0.00 O ATOM 0 H GLU A 56 -1.377 28.068 -10.547 1.00 0.00 H new ATOM 0 HA GLU A 56 0.288 29.116 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.149 29.771 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.911 30.409 -10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.217 31.461 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.996 30.808 -9.307 1.00 0.00 H new ATOM 913 N LEU A 57 1.644 26.977 -11.505 1.00 0.00 N ATOM 914 CA LEU A 57 2.665 26.032 -11.758 1.00 0.00 C ATOM 915 C LEU A 57 3.279 26.348 -13.077 1.00 0.00 C ATOM 916 O LEU A 57 2.693 27.073 -13.889 1.00 0.00 O ATOM 917 CB LEU A 57 2.129 24.627 -11.771 1.00 0.00 C ATOM 918 CG LEU A 57 1.309 24.183 -10.546 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.789 22.770 -10.737 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.143 24.271 -9.274 1.00 0.00 C ATOM 0 H LEU A 57 0.854 26.925 -12.147 1.00 0.00 H new ATOM 0 HA LEU A 57 3.406 26.092 -10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.505 24.510 -12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.971 23.944 -11.881 1.00 0.00 H new ATOM 0 HG LEU A 57 0.459 24.857 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.212 22.473 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.152 22.733 -11.621 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.629 22.088 -10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.542 23.952 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.015 23.624 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.469 25.300 -9.123 1.00 0.00 H new ATOM 932 N ASN A 58 4.414 25.821 -13.302 1.00 0.00 N ATOM 933 CA ASN A 58 5.127 26.062 -14.516 1.00 0.00 C ATOM 934 C ASN A 58 5.253 24.730 -15.257 1.00 0.00 C ATOM 935 O ASN A 58 5.259 23.686 -14.613 1.00 0.00 O ATOM 936 CB ASN A 58 6.504 26.703 -14.176 1.00 0.00 C ATOM 937 CG ASN A 58 7.318 27.051 -15.389 1.00 0.00 C ATOM 938 OD1 ASN A 58 7.118 28.094 -16.001 1.00 0.00 O ATOM 939 ND2 ASN A 58 8.288 26.245 -15.700 1.00 0.00 N ATOM 0 H ASN A 58 4.892 25.200 -12.649 1.00 0.00 H new ATOM 0 HA ASN A 58 4.605 26.763 -15.168 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.340 27.605 -13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.073 26.014 -13.552 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.911 26.472 -16.475 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.426 25.385 -15.170 1.00 0.00 H new ATOM 946 N PRO A 59 5.304 24.721 -16.616 1.00 0.00 N ATOM 947 CA PRO A 59 5.419 23.486 -17.414 1.00 0.00 C ATOM 948 C PRO A 59 6.565 22.560 -16.957 1.00 0.00 C ATOM 949 O PRO A 59 6.508 21.349 -17.133 1.00 0.00 O ATOM 950 CB PRO A 59 5.669 23.984 -18.852 1.00 0.00 C ATOM 951 CG PRO A 59 5.881 25.458 -18.738 1.00 0.00 C ATOM 952 CD PRO A 59 5.204 25.895 -17.482 1.00 0.00 C ATOM 0 HA PRO A 59 4.521 22.878 -17.311 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.540 23.496 -19.290 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.820 23.759 -19.497 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.945 25.694 -18.706 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.465 25.976 -19.602 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.696 26.762 -17.041 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.166 26.174 -17.662 1.00 0.00 H new ATOM 960 N GLN A 60 7.569 23.121 -16.324 1.00 0.00 N ATOM 961 CA GLN A 60 8.702 22.323 -15.871 1.00 0.00 C ATOM 962 C GLN A 60 8.438 21.676 -14.519 1.00 0.00 C ATOM 963 O GLN A 60 9.222 20.871 -14.033 1.00 0.00 O ATOM 964 CB GLN A 60 9.967 23.145 -15.836 1.00 0.00 C ATOM 965 CG GLN A 60 10.317 23.708 -17.176 1.00 0.00 C ATOM 966 CD GLN A 60 11.656 24.386 -17.180 1.00 0.00 C ATOM 967 OE1 GLN A 60 11.758 25.580 -16.911 1.00 0.00 O ATOM 968 NE2 GLN A 60 12.681 23.650 -17.498 1.00 0.00 N ATOM 0 H GLN A 60 7.632 24.116 -16.109 1.00 0.00 H new ATOM 0 HA GLN A 60 8.837 21.519 -16.595 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.848 23.960 -15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.790 22.526 -15.479 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.316 22.907 -17.915 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.551 24.422 -17.479 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.552 22.662 -17.714 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.614 24.061 -17.531 1.00 0.00 H new ATOM 977 N ASP A 61 7.349 22.039 -13.902 1.00 0.00 N ATOM 978 CA ASP A 61 6.941 21.492 -12.670 1.00 0.00 C ATOM 979 C ASP A 61 6.014 20.335 -12.902 1.00 0.00 C ATOM 980 O ASP A 61 5.802 19.523 -12.017 1.00 0.00 O ATOM 981 CB ASP A 61 6.224 22.554 -11.895 1.00 0.00 C ATOM 982 CG ASP A 61 7.133 23.577 -11.312 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.966 23.223 -10.461 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.060 24.740 -11.722 1.00 0.00 O ATOM 0 H ASP A 61 6.711 22.747 -14.267 1.00 0.00 H new ATOM 0 HA ASP A 61 7.812 21.140 -12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.506 23.048 -12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.655 22.085 -11.092 1.00 0.00 H new ATOM 989 N ILE A 62 5.490 20.254 -14.109 1.00 0.00 N ATOM 990 CA ILE A 62 4.558 19.201 -14.490 1.00 0.00 C ATOM 991 C ILE A 62 5.111 17.780 -14.215 1.00 0.00 C ATOM 992 O ILE A 62 4.439 16.989 -13.528 1.00 0.00 O ATOM 993 CB ILE A 62 4.079 19.348 -15.959 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.426 20.720 -16.149 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.105 18.232 -16.348 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.296 21.018 -15.191 1.00 0.00 C ATOM 0 H ILE A 62 5.696 20.916 -14.857 1.00 0.00 H new ATOM 0 HA ILE A 62 3.687 19.327 -13.847 1.00 0.00 H new ATOM 0 HB ILE A 62 4.947 19.264 -16.613 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.190 21.490 -16.039 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.048 20.789 -17.169 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.791 18.368 -17.383 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.598 17.266 -16.242 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.232 18.267 -15.696 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.894 22.010 -15.399 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.509 20.274 -15.314 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.669 20.985 -14.167 1.00 0.00 H new ATOM 1008 N PRO A 63 6.358 17.427 -14.681 1.00 0.00 N ATOM 1009 CA PRO A 63 6.897 16.115 -14.406 1.00 0.00 C ATOM 1010 C PRO A 63 7.255 15.958 -12.938 1.00 0.00 C ATOM 1011 O PRO A 63 7.033 14.928 -12.355 1.00 0.00 O ATOM 1012 CB PRO A 63 8.163 15.995 -15.264 1.00 0.00 C ATOM 1013 CG PRO A 63 8.305 17.278 -16.019 1.00 0.00 C ATOM 1014 CD PRO A 63 7.296 18.251 -15.484 1.00 0.00 C ATOM 0 HA PRO A 63 6.165 15.341 -14.637 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.037 15.818 -14.638 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.085 15.151 -15.949 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.314 17.676 -15.906 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.145 17.112 -17.084 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.772 19.017 -14.872 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.777 18.766 -16.292 1.00 0.00 H new ATOM 1022 N LYS A 64 7.740 17.030 -12.346 1.00 0.00 N ATOM 1023 CA LYS A 64 8.238 17.005 -10.979 1.00 0.00 C ATOM 1024 C LYS A 64 7.110 16.754 -9.964 1.00 0.00 C ATOM 1025 O LYS A 64 7.285 16.029 -8.988 1.00 0.00 O ATOM 1026 CB LYS A 64 8.972 18.317 -10.636 1.00 0.00 C ATOM 1027 CG LYS A 64 9.995 18.777 -11.687 1.00 0.00 C ATOM 1028 CD LYS A 64 11.020 19.755 -11.087 1.00 0.00 C ATOM 1029 CE LYS A 64 10.408 21.052 -10.559 1.00 0.00 C ATOM 1030 NZ LYS A 64 10.021 21.988 -11.618 1.00 0.00 N ATOM 0 H LYS A 64 7.802 17.944 -12.795 1.00 0.00 H new ATOM 0 HA LYS A 64 8.943 16.176 -10.912 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.232 19.106 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.484 18.192 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.514 17.910 -12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.475 19.257 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.548 19.257 -10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.762 19.999 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.531 20.812 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.124 21.540 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.160 22.497 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.790 22.670 -11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.839 21.462 -12.497 1.00 0.00 H new ATOM 1044 N TYR A 65 5.968 17.357 -10.210 1.00 0.00 N ATOM 1045 CA TYR A 65 4.830 17.247 -9.319 1.00 0.00 C ATOM 1046 C TYR A 65 3.981 16.022 -9.619 1.00 0.00 C ATOM 1047 O TYR A 65 3.918 15.084 -8.821 1.00 0.00 O ATOM 1048 CB TYR A 65 3.938 18.493 -9.417 1.00 0.00 C ATOM 1049 CG TYR A 65 4.467 19.768 -8.785 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.751 20.231 -9.023 1.00 0.00 C ATOM 1051 CD2 TYR A 65 3.643 20.530 -7.983 1.00 0.00 C ATOM 1052 CE1 TYR A 65 6.197 21.414 -8.479 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.083 21.716 -7.427 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.362 22.153 -7.684 1.00 0.00 C ATOM 1055 OH TYR A 65 5.806 23.345 -7.149 1.00 0.00 O ATOM 0 H TYR A 65 5.800 17.937 -11.032 1.00 0.00 H new ATOM 0 HA TYR A 65 5.237 17.153 -8.312 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.747 18.691 -10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.978 18.260 -8.957 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.415 19.652 -9.648 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.636 20.194 -7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.201 21.758 -8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.427 22.296 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 65 5.093 23.747 -6.610 1.00 0.00 H new ATOM 1065 N PHE A 66 3.355 16.031 -10.783 1.00 0.00 N ATOM 1066 CA PHE A 66 2.360 15.030 -11.140 1.00 0.00 C ATOM 1067 C PHE A 66 2.987 13.691 -11.481 1.00 0.00 C ATOM 1068 O PHE A 66 2.585 12.645 -10.948 1.00 0.00 O ATOM 1069 CB PHE A 66 1.483 15.535 -12.300 1.00 0.00 C ATOM 1070 CG PHE A 66 0.731 16.803 -11.980 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.476 16.753 -11.307 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.236 18.042 -12.347 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -1.167 17.907 -10.999 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.548 19.204 -12.045 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.657 19.134 -11.367 1.00 0.00 C ATOM 0 H PHE A 66 3.520 16.730 -11.507 1.00 0.00 H new ATOM 0 HA PHE A 66 1.731 14.871 -10.264 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.113 15.706 -13.173 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.769 14.757 -12.570 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.884 15.796 -11.018 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.177 18.100 -12.874 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.107 17.849 -10.470 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.950 20.163 -12.337 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.196 20.038 -11.127 1.00 0.00 H new ATOM 1085 N PHE A 67 3.996 13.717 -12.320 1.00 0.00 N ATOM 1086 CA PHE A 67 4.669 12.498 -12.754 1.00 0.00 C ATOM 1087 C PHE A 67 5.781 12.184 -11.820 1.00 0.00 C ATOM 1088 O PHE A 67 6.932 12.085 -12.222 1.00 0.00 O ATOM 1089 CB PHE A 67 5.197 12.643 -14.165 1.00 0.00 C ATOM 1090 CG PHE A 67 4.098 12.836 -15.164 1.00 0.00 C ATOM 1091 CD1 PHE A 67 3.778 14.095 -15.644 1.00 0.00 C ATOM 1092 CD2 PHE A 67 3.367 11.753 -15.602 1.00 0.00 C ATOM 1093 CE1 PHE A 67 2.751 14.264 -16.547 1.00 0.00 C ATOM 1094 CE2 PHE A 67 2.338 11.911 -16.508 1.00 0.00 C ATOM 1095 CZ PHE A 67 2.031 13.170 -16.981 1.00 0.00 C ATOM 0 H PHE A 67 4.377 14.573 -12.723 1.00 0.00 H new ATOM 0 HA PHE A 67 3.948 11.681 -12.747 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.880 13.492 -14.210 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.773 11.756 -14.428 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.340 14.954 -15.307 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.603 10.767 -15.231 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.510 15.251 -16.914 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.776 11.053 -16.845 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.227 13.299 -17.691 1.00 0.00 H new ATOM 1105 N ASN A 68 5.393 12.010 -10.579 1.00 0.00 N ATOM 1106 CA ASN A 68 6.222 11.821 -9.405 1.00 0.00 C ATOM 1107 C ASN A 68 7.117 10.606 -9.496 1.00 0.00 C ATOM 1108 O ASN A 68 6.881 9.581 -8.849 1.00 0.00 O ATOM 1109 CB ASN A 68 5.311 11.711 -8.221 1.00 0.00 C ATOM 1110 CG ASN A 68 5.858 12.399 -7.054 1.00 0.00 C ATOM 1111 OD1 ASN A 68 6.532 11.810 -6.215 1.00 0.00 O ATOM 1112 ND2 ASN A 68 5.594 13.666 -7.000 1.00 0.00 N ATOM 0 H ASN A 68 4.401 11.995 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 68 6.894 12.674 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.338 12.134 -8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.150 10.660 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.953 14.229 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.027 14.100 -7.728 1.00 0.00 H new ATOM 1119 N ALA A 69 8.086 10.717 -10.397 1.00 0.00 N ATOM 1120 CA ALA A 69 9.024 9.694 -10.785 1.00 0.00 C ATOM 1121 C ALA A 69 8.244 8.505 -11.295 1.00 0.00 C ATOM 1122 O ALA A 69 8.717 7.365 -11.370 1.00 0.00 O ATOM 1123 CB ALA A 69 9.980 9.378 -9.663 1.00 0.00 C ATOM 0 H ALA A 69 8.240 11.588 -10.905 1.00 0.00 H new ATOM 0 HA ALA A 69 9.664 10.039 -11.597 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.676 8.603 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.536 10.276 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.420 9.026 -8.796 1.00 0.00 H new ATOM 1129 N LYS A 70 7.065 8.838 -11.739 1.00 0.00 N ATOM 1130 CA LYS A 70 6.095 7.915 -12.161 1.00 0.00 C ATOM 1131 C LYS A 70 5.786 8.164 -13.573 1.00 0.00 C ATOM 1132 O LYS A 70 4.834 8.855 -13.943 1.00 0.00 O ATOM 1133 CB LYS A 70 4.877 7.986 -11.236 1.00 0.00 C ATOM 1134 CG LYS A 70 3.796 6.947 -11.438 1.00 0.00 C ATOM 1135 CD LYS A 70 2.719 7.146 -10.381 1.00 0.00 C ATOM 1136 CE LYS A 70 1.655 6.076 -10.435 1.00 0.00 C ATOM 1137 NZ LYS A 70 0.686 6.225 -9.330 1.00 0.00 N ATOM 0 H LYS A 70 6.758 9.808 -11.813 1.00 0.00 H new ATOM 0 HA LYS A 70 6.464 6.892 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.229 7.912 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.424 8.971 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.367 7.038 -12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.218 5.945 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.179 7.147 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.255 8.123 -10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.132 6.129 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.122 5.093 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.039 5.411 -9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.196 6.270 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.140 7.100 -9.463 1.00 0.00 H new ATOM 1151 N VAL A 71 6.690 7.722 -14.338 1.00 0.00 N ATOM 1152 CA VAL A 71 6.578 7.702 -15.714 1.00 0.00 C ATOM 1153 C VAL A 71 6.439 6.242 -16.043 1.00 0.00 C ATOM 1154 O VAL A 71 7.423 5.505 -16.044 1.00 0.00 O ATOM 1155 CB VAL A 71 7.822 8.295 -16.382 1.00 0.00 C ATOM 1156 CG1 VAL A 71 7.611 8.307 -17.839 1.00 0.00 C ATOM 1157 CG2 VAL A 71 8.111 9.706 -15.870 1.00 0.00 C ATOM 0 H VAL A 71 7.574 7.345 -13.995 1.00 0.00 H new ATOM 0 HA VAL A 71 5.739 8.299 -16.072 1.00 0.00 H new ATOM 0 HB VAL A 71 8.688 7.681 -16.135 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.489 8.727 -18.330 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.450 7.288 -18.192 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.738 8.915 -18.075 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.000 10.097 -16.364 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.261 10.353 -16.087 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.278 9.675 -14.793 1.00 0.00 H new ATOM 1167 N HIS A 72 5.224 5.814 -16.196 1.00 0.00 N ATOM 1168 CA HIS A 72 4.930 4.419 -16.297 1.00 0.00 C ATOM 1169 C HIS A 72 3.907 4.202 -17.385 1.00 0.00 C ATOM 1170 O HIS A 72 2.700 4.395 -17.138 1.00 0.00 O ATOM 1171 CB HIS A 72 4.414 3.948 -14.926 1.00 0.00 C ATOM 1172 CG HIS A 72 4.175 2.475 -14.773 1.00 0.00 C ATOM 1173 ND1 HIS A 72 2.983 1.957 -14.320 1.00 0.00 N ATOM 1174 CD2 HIS A 72 5.001 1.416 -14.931 1.00 0.00 C ATOM 1175 CE1 HIS A 72 3.082 0.655 -14.208 1.00 0.00 C ATOM 1176 NE2 HIS A 72 4.294 0.299 -14.572 1.00 0.00 N ATOM 0 H HIS A 72 4.408 6.423 -16.254 1.00 0.00 H new ATOM 0 HA HIS A 72 5.816 3.842 -16.561 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.131 4.258 -14.166 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.480 4.469 -14.715 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.024 1.445 -15.275 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.301 -0.012 -13.874 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.651 -0.656 -14.585 1.00 0.00 H new TER 1184 HIS A 72