USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 784 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=-0.0087) USER MOD Single : A 1 HIS N :NH3+ 180:sc= -0.0906 (180deg=-0.0906) USER MOD Single : A 2 MET CE :methyl 163:sc= -0.0942 (180deg=-0.607) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.0711 (180deg=-0.452) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.642 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.08! C(o=-3.1!,f=-6.6!) USER MOD Single : A 64 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-6.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 65:sc= 0.832 USER MOD Single : A 77 SER OG : rot -177:sc= -0.361 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= 0.00321 (180deg=0.00018) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.142 0.437 0.122 1.00 32.02 N ATOM 2 CA HIS A 1 1.595 -0.136 -1.103 1.00 2.51 C ATOM 3 C HIS A 1 2.343 -1.408 -1.489 1.00 31.34 C ATOM 4 O HIS A 1 2.706 -1.599 -2.649 1.00 1.42 O ATOM 5 CB HIS A 1 1.671 0.880 -2.243 1.00 62.15 C ATOM 6 CG HIS A 1 0.600 1.925 -2.187 1.00 2.30 C ATOM 7 ND1 HIS A 1 -0.387 2.044 -3.142 1.00 71.33 N ATOM 8 CD2 HIS A 1 0.364 2.903 -1.281 1.00 21.21 C ATOM 9 CE1 HIS A 1 -1.183 3.050 -2.827 1.00 71.13 C ATOM 10 NE2 HIS A 1 -0.749 3.588 -1.702 1.00 33.34 N ATOM 0 H1 HIS A 1 1.618 1.302 0.365 1.00 32.02 H new ATOM 0 H2 HIS A 1 2.054 -0.251 0.897 1.00 32.02 H new ATOM 0 H3 HIS A 1 3.145 0.670 -0.021 1.00 32.02 H new ATOM 0 HA HIS A 1 0.551 -0.391 -0.922 1.00 2.51 H new ATOM 0 HB2 HIS A 1 2.645 1.368 -2.219 1.00 62.15 H new ATOM 0 HB3 HIS A 1 1.603 0.352 -3.194 1.00 62.15 H new ATOM 0 HD2 HIS A 1 0.943 3.106 -0.393 1.00 21.21 H new ATOM 0 HE1 HIS A 1 -2.043 3.377 -3.393 1.00 71.13 H new ATOM 0 HE2 HIS A 1 -1.172 4.383 -1.223 1.00 33.34 H new ATOM 18 N MET A 2 2.570 -2.276 -0.508 1.00 12.24 N ATOM 19 CA MET A 2 3.274 -3.531 -0.745 1.00 40.52 C ATOM 20 C MET A 2 2.380 -4.525 -1.479 1.00 61.11 C ATOM 21 O MET A 2 1.154 -4.423 -1.433 1.00 62.42 O ATOM 22 CB MET A 2 3.748 -4.133 0.579 1.00 75.11 C ATOM 23 CG MET A 2 4.862 -3.341 1.243 1.00 62.12 C ATOM 24 SD MET A 2 5.132 -3.826 2.958 1.00 23.23 S ATOM 25 CE MET A 2 5.218 -5.608 2.797 1.00 44.13 C ATOM 0 H MET A 2 2.277 -2.133 0.458 1.00 12.24 H new ATOM 0 HA MET A 2 4.142 -3.320 -1.370 1.00 40.52 H new ATOM 0 HB2 MET A 2 2.902 -4.197 1.263 1.00 75.11 H new ATOM 0 HB3 MET A 2 4.093 -5.152 0.402 1.00 75.11 H new ATOM 0 HG2 MET A 2 5.786 -3.479 0.681 1.00 62.12 H new ATOM 0 HG3 MET A 2 4.621 -2.279 1.204 1.00 62.12 H new ATOM 0 HE1 MET A 2 5.673 -6.033 3.692 1.00 44.13 H new ATOM 0 HE2 MET A 2 4.213 -6.011 2.675 1.00 44.13 H new ATOM 0 HE3 MET A 2 5.821 -5.866 1.926 1.00 44.13 H new ATOM 35 N SER A 3 3.002 -5.486 -2.155 1.00 52.35 N ATOM 36 CA SER A 3 2.262 -6.496 -2.903 1.00 30.15 C ATOM 37 C SER A 3 2.755 -7.898 -2.555 1.00 54.31 C ATOM 38 O SER A 3 3.877 -8.074 -2.079 1.00 50.12 O ATOM 39 CB SER A 3 2.401 -6.253 -4.406 1.00 42.45 C ATOM 40 OG SER A 3 3.544 -6.910 -4.926 1.00 72.40 O ATOM 0 H SER A 3 4.016 -5.586 -2.200 1.00 52.35 H new ATOM 0 HA SER A 3 1.210 -6.419 -2.627 1.00 30.15 H new ATOM 0 HB2 SER A 3 1.508 -6.610 -4.919 1.00 42.45 H new ATOM 0 HB3 SER A 3 2.474 -5.183 -4.599 1.00 42.45 H new ATOM 0 HG SER A 3 3.609 -6.740 -5.889 1.00 72.40 H new ATOM 46 N LEU A 4 1.907 -8.892 -2.796 1.00 65.11 N ATOM 47 CA LEU A 4 2.255 -10.280 -2.509 1.00 51.44 C ATOM 48 C LEU A 4 1.669 -11.216 -3.561 1.00 31.30 C ATOM 49 O LEU A 4 0.503 -11.093 -3.939 1.00 3.53 O ATOM 50 CB LEU A 4 1.752 -10.675 -1.120 1.00 74.41 C ATOM 51 CG LEU A 4 1.994 -9.659 -0.004 1.00 23.24 C ATOM 52 CD1 LEU A 4 1.149 -9.994 1.216 1.00 65.02 C ATOM 53 CD2 LEU A 4 3.470 -9.613 0.364 1.00 22.21 C ATOM 0 H LEU A 4 0.975 -8.763 -3.189 1.00 65.11 H new ATOM 0 HA LEU A 4 3.341 -10.370 -2.534 1.00 51.44 H new ATOM 0 HB2 LEU A 4 0.681 -10.866 -1.184 1.00 74.41 H new ATOM 0 HB3 LEU A 4 2.227 -11.615 -0.837 1.00 74.41 H new ATOM 0 HG LEU A 4 1.699 -8.674 -0.365 1.00 23.24 H new ATOM 0 HD11 LEU A 4 1.335 -9.260 2.000 1.00 65.02 H new ATOM 0 HD12 LEU A 4 0.094 -9.975 0.944 1.00 65.02 H new ATOM 0 HD13 LEU A 4 1.412 -10.987 1.579 1.00 65.02 H new ATOM 0 HD21 LEU A 4 3.624 -8.884 1.160 1.00 22.21 H new ATOM 0 HD22 LEU A 4 3.791 -10.597 0.706 1.00 22.21 H new ATOM 0 HD23 LEU A 4 4.054 -9.324 -0.510 1.00 22.21 H new ATOM 65 N THR A 5 2.484 -12.156 -4.030 1.00 4.13 N ATOM 66 CA THR A 5 2.047 -13.114 -5.037 1.00 22.54 C ATOM 67 C THR A 5 1.136 -14.174 -4.428 1.00 13.00 C ATOM 68 O THR A 5 1.441 -14.742 -3.379 1.00 62.14 O ATOM 69 CB THR A 5 3.246 -13.810 -5.708 1.00 44.35 C ATOM 70 OG1 THR A 5 4.429 -13.611 -4.926 1.00 62.02 O ATOM 71 CG2 THR A 5 3.466 -13.272 -7.114 1.00 53.34 C ATOM 0 H THR A 5 3.451 -12.274 -3.728 1.00 4.13 H new ATOM 0 HA THR A 5 1.494 -12.551 -5.790 1.00 22.54 H new ATOM 0 HB THR A 5 3.029 -14.876 -5.773 1.00 44.35 H new ATOM 0 HG1 THR A 5 5.186 -14.058 -5.359 1.00 62.02 H new ATOM 0 HG21 THR A 5 4.318 -13.778 -7.568 1.00 53.34 H new ATOM 0 HG22 THR A 5 2.575 -13.451 -7.716 1.00 53.34 H new ATOM 0 HG23 THR A 5 3.663 -12.201 -7.067 1.00 53.34 H new ATOM 79 N VAL A 6 0.015 -14.436 -5.093 1.00 32.34 N ATOM 80 CA VAL A 6 -0.941 -15.430 -4.618 1.00 1.34 C ATOM 81 C VAL A 6 -1.099 -16.565 -5.623 1.00 0.11 C ATOM 82 O VAL A 6 -1.493 -16.345 -6.768 1.00 41.44 O ATOM 83 CB VAL A 6 -2.321 -14.799 -4.351 1.00 45.22 C ATOM 84 CG1 VAL A 6 -2.817 -14.059 -5.584 1.00 44.11 C ATOM 85 CG2 VAL A 6 -3.318 -15.863 -3.921 1.00 34.15 C ATOM 0 H VAL A 6 -0.253 -13.974 -5.962 1.00 32.34 H new ATOM 0 HA VAL A 6 -0.545 -15.829 -3.684 1.00 1.34 H new ATOM 0 HB VAL A 6 -2.221 -14.078 -3.540 1.00 45.22 H new ATOM 0 HG11 VAL A 6 -3.793 -13.620 -5.377 1.00 44.11 H new ATOM 0 HG12 VAL A 6 -2.111 -13.270 -5.843 1.00 44.11 H new ATOM 0 HG13 VAL A 6 -2.903 -14.757 -6.417 1.00 44.11 H new ATOM 0 HG21 VAL A 6 -4.287 -15.400 -3.737 1.00 34.15 H new ATOM 0 HG22 VAL A 6 -3.416 -16.609 -4.709 1.00 34.15 H new ATOM 0 HG23 VAL A 6 -2.966 -16.344 -3.008 1.00 34.15 H new ATOM 95 N LYS A 7 -0.790 -17.781 -5.187 1.00 25.22 N ATOM 96 CA LYS A 7 -0.898 -18.954 -6.047 1.00 14.41 C ATOM 97 C LYS A 7 -2.152 -19.757 -5.716 1.00 1.05 C ATOM 98 O LYS A 7 -2.339 -20.193 -4.580 1.00 11.51 O ATOM 99 CB LYS A 7 0.341 -19.838 -5.897 1.00 65.15 C ATOM 100 CG LYS A 7 1.586 -19.255 -6.543 1.00 44.40 C ATOM 101 CD LYS A 7 2.853 -19.804 -5.909 1.00 2.45 C ATOM 102 CE LYS A 7 3.202 -21.178 -6.459 1.00 33.12 C ATOM 103 NZ LYS A 7 4.243 -21.857 -5.638 1.00 54.40 N ATOM 0 H LYS A 7 -0.462 -17.981 -4.242 1.00 25.22 H new ATOM 0 HA LYS A 7 -0.969 -18.611 -7.079 1.00 14.41 H new ATOM 0 HB2 LYS A 7 0.534 -20.001 -4.837 1.00 65.15 H new ATOM 0 HB3 LYS A 7 0.136 -20.814 -6.337 1.00 65.15 H new ATOM 0 HG2 LYS A 7 1.584 -19.482 -7.609 1.00 44.40 H new ATOM 0 HG3 LYS A 7 1.572 -18.169 -6.448 1.00 44.40 H new ATOM 0 HD2 LYS A 7 3.679 -19.117 -6.092 1.00 2.45 H new ATOM 0 HD3 LYS A 7 2.723 -19.866 -4.829 1.00 2.45 H new ATOM 0 HE2 LYS A 7 2.304 -21.795 -6.490 1.00 33.12 H new ATOM 0 HE3 LYS A 7 3.556 -21.079 -7.485 1.00 33.12 H new ATOM 0 HZ1 LYS A 7 4.453 -22.790 -6.046 1.00 54.40 H new ATOM 0 HZ2 LYS A 7 5.109 -21.281 -5.629 1.00 54.40 H new ATOM 0 HZ3 LYS A 7 3.895 -21.975 -4.665 1.00 54.40 H new ATOM 117 N ALA A 8 -3.007 -19.950 -6.715 1.00 24.43 N ATOM 118 CA ALA A 8 -4.240 -20.705 -6.530 1.00 11.54 C ATOM 119 C ALA A 8 -4.139 -22.087 -7.164 1.00 63.42 C ATOM 120 O ALA A 8 -3.508 -22.258 -8.208 1.00 5.54 O ATOM 121 CB ALA A 8 -5.419 -19.939 -7.113 1.00 30.44 C ATOM 0 H ALA A 8 -2.868 -19.594 -7.661 1.00 24.43 H new ATOM 0 HA ALA A 8 -4.399 -20.837 -5.460 1.00 11.54 H new ATOM 0 HB1 ALA A 8 -6.334 -20.514 -6.968 1.00 30.44 H new ATOM 0 HB2 ALA A 8 -5.512 -18.976 -6.610 1.00 30.44 H new ATOM 0 HB3 ALA A 8 -5.257 -19.777 -8.179 1.00 30.44 H new ATOM 127 N TYR A 9 -4.763 -23.072 -6.528 1.00 22.31 N ATOM 128 CA TYR A 9 -4.740 -24.441 -7.029 1.00 21.41 C ATOM 129 C TYR A 9 -6.155 -24.950 -7.288 1.00 25.50 C ATOM 130 O TYR A 9 -6.963 -25.070 -6.366 1.00 50.53 O ATOM 131 CB TYR A 9 -4.030 -25.359 -6.033 1.00 21.55 C ATOM 132 CG TYR A 9 -2.607 -24.944 -5.733 1.00 54.43 C ATOM 133 CD1 TYR A 9 -2.324 -24.055 -4.704 1.00 13.05 C ATOM 134 CD2 TYR A 9 -1.546 -25.440 -6.480 1.00 71.41 C ATOM 135 CE1 TYR A 9 -1.026 -23.672 -4.427 1.00 52.23 C ATOM 136 CE2 TYR A 9 -0.245 -25.064 -6.210 1.00 44.10 C ATOM 137 CZ TYR A 9 0.010 -24.179 -5.183 1.00 61.01 C ATOM 138 OH TYR A 9 1.305 -23.801 -4.910 1.00 52.11 O ATOM 0 H TYR A 9 -5.291 -22.948 -5.664 1.00 22.31 H new ATOM 0 HA TYR A 9 -4.193 -24.447 -7.972 1.00 21.41 H new ATOM 0 HB2 TYR A 9 -4.597 -25.379 -5.102 1.00 21.55 H new ATOM 0 HB3 TYR A 9 -4.028 -26.375 -6.427 1.00 21.55 H new ATOM 0 HD1 TYR A 9 -3.133 -23.656 -4.110 1.00 13.05 H new ATOM 0 HD2 TYR A 9 -1.742 -26.132 -7.286 1.00 71.41 H new ATOM 0 HE1 TYR A 9 -0.824 -22.980 -3.623 1.00 52.23 H new ATOM 0 HE2 TYR A 9 0.568 -25.461 -6.800 1.00 44.10 H new ATOM 0 HH TYR A 9 1.915 -24.249 -5.533 1.00 52.11 H new ATOM 148 N LEU A 10 -6.446 -25.250 -8.549 1.00 35.22 N ATOM 149 CA LEU A 10 -7.763 -25.748 -8.932 1.00 13.14 C ATOM 150 C LEU A 10 -7.840 -27.263 -8.774 1.00 21.04 C ATOM 151 O LEU A 10 -6.882 -27.978 -9.071 1.00 73.33 O ATOM 152 CB LEU A 10 -8.077 -25.358 -10.377 1.00 51.11 C ATOM 153 CG LEU A 10 -9.420 -25.841 -10.926 1.00 63.44 C ATOM 154 CD1 LEU A 10 -10.557 -25.407 -10.015 1.00 20.22 C ATOM 155 CD2 LEU A 10 -9.637 -25.319 -12.339 1.00 71.42 C ATOM 0 H LEU A 10 -5.788 -25.157 -9.323 1.00 35.22 H new ATOM 0 HA LEU A 10 -8.502 -25.295 -8.271 1.00 13.14 H new ATOM 0 HB2 LEU A 10 -8.045 -24.271 -10.454 1.00 51.11 H new ATOM 0 HB3 LEU A 10 -7.285 -25.746 -11.017 1.00 51.11 H new ATOM 0 HG LEU A 10 -9.406 -26.930 -10.960 1.00 63.44 H new ATOM 0 HD11 LEU A 10 -11.504 -25.760 -10.422 1.00 20.22 H new ATOM 0 HD12 LEU A 10 -10.409 -25.830 -9.021 1.00 20.22 H new ATOM 0 HD13 LEU A 10 -10.574 -24.319 -9.947 1.00 20.22 H new ATOM 0 HD21 LEU A 10 -10.597 -25.672 -12.714 1.00 71.42 H new ATOM 0 HD22 LEU A 10 -9.630 -24.229 -12.329 1.00 71.42 H new ATOM 0 HD23 LEU A 10 -8.839 -25.681 -12.987 1.00 71.42 H new ATOM 167 N LEU A 11 -8.985 -27.747 -8.305 1.00 52.55 N ATOM 168 CA LEU A 11 -9.189 -29.178 -8.110 1.00 45.20 C ATOM 169 C LEU A 11 -10.353 -29.683 -8.955 1.00 54.14 C ATOM 170 O LEU A 11 -11.444 -29.115 -8.930 1.00 35.15 O ATOM 171 CB LEU A 11 -9.447 -29.479 -6.633 1.00 33.12 C ATOM 172 CG LEU A 11 -8.686 -28.614 -5.628 1.00 11.31 C ATOM 173 CD1 LEU A 11 -8.923 -29.109 -4.210 1.00 0.13 C ATOM 174 CD2 LEU A 11 -7.199 -28.605 -5.950 1.00 61.03 C ATOM 0 H LEU A 11 -9.787 -27.169 -8.053 1.00 52.55 H new ATOM 0 HA LEU A 11 -8.284 -29.696 -8.427 1.00 45.20 H new ATOM 0 HB2 LEU A 11 -10.514 -29.369 -6.442 1.00 33.12 H new ATOM 0 HB3 LEU A 11 -9.196 -30.523 -6.447 1.00 33.12 H new ATOM 0 HG LEU A 11 -9.059 -27.593 -5.701 1.00 11.31 H new ATOM 0 HD11 LEU A 11 -8.373 -28.481 -3.509 1.00 0.13 H new ATOM 0 HD12 LEU A 11 -9.988 -29.062 -3.981 1.00 0.13 H new ATOM 0 HD13 LEU A 11 -8.578 -30.139 -4.122 1.00 0.13 H new ATOM 0 HD21 LEU A 11 -6.673 -27.984 -5.224 1.00 61.03 H new ATOM 0 HD22 LEU A 11 -6.811 -29.623 -5.906 1.00 61.03 H new ATOM 0 HD23 LEU A 11 -7.046 -28.202 -6.951 1.00 61.03 H new ATOM 186 N GLY A 12 -10.114 -30.756 -9.703 1.00 41.23 N ATOM 187 CA GLY A 12 -11.153 -31.321 -10.544 1.00 41.13 C ATOM 188 C GLY A 12 -11.754 -32.581 -9.955 1.00 33.31 C ATOM 189 O GLY A 12 -12.529 -32.521 -9.000 1.00 22.32 O ATOM 0 H GLY A 12 -9.219 -31.244 -9.741 1.00 41.23 H new ATOM 0 HA2 GLY A 12 -11.940 -30.581 -10.691 1.00 41.13 H new ATOM 0 HA3 GLY A 12 -10.739 -31.545 -11.527 1.00 41.13 H new ATOM 193 N LYS A 13 -11.399 -33.727 -10.526 1.00 31.31 N ATOM 194 CA LYS A 13 -11.909 -35.009 -10.052 1.00 44.24 C ATOM 195 C LYS A 13 -10.897 -35.692 -9.138 1.00 30.12 C ATOM 196 O LYS A 13 -11.230 -36.101 -8.026 1.00 2.20 O ATOM 197 CB LYS A 13 -12.237 -35.920 -11.238 1.00 13.55 C ATOM 198 CG LYS A 13 -12.797 -37.271 -10.829 1.00 73.10 C ATOM 199 CD LYS A 13 -12.254 -38.388 -11.705 1.00 53.51 C ATOM 200 CE LYS A 13 -12.607 -39.757 -11.145 1.00 22.00 C ATOM 201 NZ LYS A 13 -11.987 -39.987 -9.811 1.00 2.13 N ATOM 0 H LYS A 13 -10.760 -33.795 -11.318 1.00 31.31 H new ATOM 0 HA LYS A 13 -12.819 -34.822 -9.482 1.00 44.24 H new ATOM 0 HB2 LYS A 13 -12.958 -35.417 -11.883 1.00 13.55 H new ATOM 0 HB3 LYS A 13 -11.334 -36.074 -11.828 1.00 13.55 H new ATOM 0 HG2 LYS A 13 -12.546 -37.470 -9.787 1.00 73.10 H new ATOM 0 HG3 LYS A 13 -13.885 -37.251 -10.896 1.00 73.10 H new ATOM 0 HD2 LYS A 13 -12.658 -38.291 -12.713 1.00 53.51 H new ATOM 0 HD3 LYS A 13 -11.171 -38.295 -11.786 1.00 53.51 H new ATOM 0 HE2 LYS A 13 -13.690 -39.847 -11.063 1.00 22.00 H new ATOM 0 HE3 LYS A 13 -12.274 -40.530 -11.838 1.00 22.00 H new ATOM 0 HZ1 LYS A 13 -11.956 -41.008 -9.614 1.00 2.13 H new ATOM 0 HZ2 LYS A 13 -11.020 -39.604 -9.807 1.00 2.13 H new ATOM 0 HZ3 LYS A 13 -12.551 -39.510 -9.079 1.00 2.13 H new ATOM 215 N GLU A 14 -9.661 -35.811 -9.614 1.00 14.14 N ATOM 216 CA GLU A 14 -8.602 -36.444 -8.837 1.00 32.30 C ATOM 217 C GLU A 14 -8.173 -35.554 -7.675 1.00 3.53 C ATOM 218 O GLU A 14 -7.490 -36.003 -6.755 1.00 43.11 O ATOM 219 CB GLU A 14 -7.398 -36.752 -9.730 1.00 54.42 C ATOM 220 CG GLU A 14 -7.681 -37.801 -10.792 1.00 43.13 C ATOM 221 CD GLU A 14 -6.434 -38.215 -11.549 1.00 24.42 C ATOM 222 OE1 GLU A 14 -5.573 -38.891 -10.947 1.00 45.10 O ATOM 223 OE2 GLU A 14 -6.318 -37.865 -12.742 1.00 15.54 O ATOM 0 H GLU A 14 -9.369 -35.478 -10.533 1.00 14.14 H new ATOM 0 HA GLU A 14 -8.993 -37.377 -8.432 1.00 32.30 H new ATOM 0 HB2 GLU A 14 -7.073 -35.833 -10.217 1.00 54.42 H new ATOM 0 HB3 GLU A 14 -6.571 -37.092 -9.106 1.00 54.42 H new ATOM 0 HG2 GLU A 14 -8.124 -38.679 -10.322 1.00 43.13 H new ATOM 0 HG3 GLU A 14 -8.416 -37.411 -11.496 1.00 43.13 H new ATOM 230 N GLU A 15 -8.578 -34.289 -7.725 1.00 52.50 N ATOM 231 CA GLU A 15 -8.234 -33.335 -6.677 1.00 51.53 C ATOM 232 C GLU A 15 -6.720 -33.214 -6.527 1.00 53.43 C ATOM 233 O GLU A 15 -6.190 -33.261 -5.418 1.00 32.22 O ATOM 234 CB GLU A 15 -8.857 -33.759 -5.346 1.00 13.23 C ATOM 235 CG GLU A 15 -10.375 -33.681 -5.332 1.00 3.45 C ATOM 236 CD GLU A 15 -10.979 -34.307 -4.090 1.00 75.32 C ATOM 237 OE1 GLU A 15 -10.227 -34.562 -3.127 1.00 13.44 O ATOM 238 OE2 GLU A 15 -12.206 -34.543 -4.083 1.00 0.01 O ATOM 0 H GLU A 15 -9.144 -33.901 -8.479 1.00 52.50 H new ATOM 0 HA GLU A 15 -8.633 -32.361 -6.962 1.00 51.53 H new ATOM 0 HB2 GLU A 15 -8.552 -34.781 -5.121 1.00 13.23 H new ATOM 0 HB3 GLU A 15 -8.462 -33.126 -4.551 1.00 13.23 H new ATOM 0 HG2 GLU A 15 -10.682 -32.637 -5.394 1.00 3.45 H new ATOM 0 HG3 GLU A 15 -10.769 -34.183 -6.216 1.00 3.45 H new ATOM 245 N ALA A 16 -6.031 -33.058 -7.653 1.00 2.34 N ATOM 246 CA ALA A 16 -4.579 -32.929 -7.647 1.00 41.43 C ATOM 247 C ALA A 16 -4.150 -31.531 -8.081 1.00 54.12 C ATOM 248 O ALA A 16 -3.545 -30.789 -7.308 1.00 15.11 O ATOM 249 CB ALA A 16 -3.952 -33.979 -8.552 1.00 33.43 C ATOM 0 H ALA A 16 -6.455 -33.018 -8.580 1.00 2.34 H new ATOM 0 HA ALA A 16 -4.229 -33.088 -6.627 1.00 41.43 H new ATOM 0 HB1 ALA A 16 -2.867 -33.871 -8.538 1.00 33.43 H new ATOM 0 HB2 ALA A 16 -4.222 -34.974 -8.197 1.00 33.43 H new ATOM 0 HB3 ALA A 16 -4.317 -33.846 -9.571 1.00 33.43 H new ATOM 255 N ALA A 17 -4.467 -31.179 -9.323 1.00 15.42 N ATOM 256 CA ALA A 17 -4.116 -29.869 -9.859 1.00 32.44 C ATOM 257 C ALA A 17 -4.648 -29.696 -11.277 1.00 55.01 C ATOM 258 O ALA A 17 -4.088 -30.237 -12.231 1.00 14.23 O ATOM 259 CB ALA A 17 -2.607 -29.676 -9.832 1.00 13.43 C ATOM 0 H ALA A 17 -4.966 -31.782 -9.977 1.00 15.42 H new ATOM 0 HA ALA A 17 -4.580 -29.109 -9.230 1.00 32.44 H new ATOM 0 HB1 ALA A 17 -2.359 -28.694 -10.235 1.00 13.43 H new ATOM 0 HB2 ALA A 17 -2.249 -29.748 -8.805 1.00 13.43 H new ATOM 0 HB3 ALA A 17 -2.131 -30.447 -10.437 1.00 13.43 H new ATOM 265 N ARG A 18 -5.733 -28.939 -11.409 1.00 31.33 N ATOM 266 CA ARG A 18 -6.342 -28.697 -12.711 1.00 41.30 C ATOM 267 C ARG A 18 -5.597 -27.598 -13.463 1.00 64.14 C ATOM 268 O ARG A 18 -5.467 -27.649 -14.686 1.00 3.21 O ATOM 269 CB ARG A 18 -7.813 -28.309 -12.546 1.00 64.10 C ATOM 270 CG ARG A 18 -8.701 -28.795 -13.679 1.00 73.13 C ATOM 271 CD ARG A 18 -10.077 -29.201 -13.174 1.00 23.24 C ATOM 272 NE ARG A 18 -10.907 -29.761 -14.236 1.00 72.43 N ATOM 273 CZ ARG A 18 -12.231 -29.847 -14.167 1.00 0.31 C ATOM 274 NH1 ARG A 18 -12.871 -29.410 -13.091 1.00 72.11 N ATOM 275 NH2 ARG A 18 -12.917 -30.369 -15.175 1.00 72.23 N ATOM 0 H ARG A 18 -6.208 -28.483 -10.630 1.00 31.33 H new ATOM 0 HA ARG A 18 -6.279 -29.618 -13.291 1.00 41.30 H new ATOM 0 HB2 ARG A 18 -8.184 -28.715 -11.605 1.00 64.10 H new ATOM 0 HB3 ARG A 18 -7.888 -27.224 -12.476 1.00 64.10 H new ATOM 0 HG2 ARG A 18 -8.804 -28.007 -14.425 1.00 73.13 H new ATOM 0 HG3 ARG A 18 -8.229 -29.644 -14.174 1.00 73.13 H new ATOM 0 HD2 ARG A 18 -9.968 -29.934 -12.375 1.00 23.24 H new ATOM 0 HD3 ARG A 18 -10.576 -28.333 -12.744 1.00 23.24 H new ATOM 0 HE ARG A 18 -10.445 -30.105 -15.078 1.00 72.43 H new ATOM 0 HH11 ARG A 18 -12.347 -29.007 -12.314 1.00 72.11 H new ATOM 0 HH12 ARG A 18 -13.888 -29.477 -13.040 1.00 72.11 H new ATOM 0 HH21 ARG A 18 -12.428 -30.705 -16.005 1.00 72.23 H new ATOM 0 HH22 ARG A 18 -13.933 -30.434 -15.120 1.00 72.23 H new ATOM 289 N GLU A 19 -5.110 -26.607 -12.723 1.00 51.45 N ATOM 290 CA GLU A 19 -4.379 -25.496 -13.322 1.00 13.53 C ATOM 291 C GLU A 19 -3.577 -24.741 -12.266 1.00 2.32 C ATOM 292 O GLU A 19 -3.846 -24.852 -11.069 1.00 71.34 O ATOM 293 CB GLU A 19 -5.346 -24.539 -14.023 1.00 61.25 C ATOM 294 CG GLU A 19 -4.808 -23.979 -15.329 1.00 65.44 C ATOM 295 CD GLU A 19 -5.774 -23.019 -15.995 1.00 2.33 C ATOM 296 OE1 GLU A 19 -6.667 -23.491 -16.729 1.00 14.53 O ATOM 297 OE2 GLU A 19 -5.637 -21.796 -15.782 1.00 65.01 O ATOM 0 H GLU A 19 -5.208 -26.551 -11.709 1.00 51.45 H new ATOM 0 HA GLU A 19 -3.686 -25.905 -14.057 1.00 13.53 H new ATOM 0 HB2 GLU A 19 -6.282 -25.061 -14.220 1.00 61.25 H new ATOM 0 HB3 GLU A 19 -5.577 -23.713 -13.351 1.00 61.25 H new ATOM 0 HG2 GLU A 19 -3.865 -23.466 -15.139 1.00 65.44 H new ATOM 0 HG3 GLU A 19 -4.591 -24.802 -16.011 1.00 65.44 H new ATOM 304 N ILE A 20 -2.590 -23.974 -12.717 1.00 54.34 N ATOM 305 CA ILE A 20 -1.749 -23.200 -11.812 1.00 71.45 C ATOM 306 C ILE A 20 -1.494 -21.800 -12.360 1.00 74.23 C ATOM 307 O ILE A 20 -1.257 -21.624 -13.555 1.00 53.14 O ATOM 308 CB ILE A 20 -0.398 -23.897 -11.567 1.00 3.03 C ATOM 309 CG1 ILE A 20 -0.619 -25.333 -11.087 1.00 12.22 C ATOM 310 CG2 ILE A 20 0.425 -23.115 -10.553 1.00 53.04 C ATOM 311 CD1 ILE A 20 -1.316 -25.421 -9.747 1.00 23.51 C ATOM 0 H ILE A 20 -2.353 -23.872 -13.704 1.00 54.34 H new ATOM 0 HA ILE A 20 -2.287 -23.125 -10.867 1.00 71.45 H new ATOM 0 HB ILE A 20 0.153 -23.929 -12.507 1.00 3.03 H new ATOM 0 HG12 ILE A 20 -1.209 -25.869 -11.830 1.00 12.22 H new ATOM 0 HG13 ILE A 20 0.345 -25.838 -11.020 1.00 12.22 H new ATOM 0 HG21 ILE A 20 1.377 -23.620 -10.390 1.00 53.04 H new ATOM 0 HG22 ILE A 20 0.608 -22.109 -10.931 1.00 53.04 H new ATOM 0 HG23 ILE A 20 -0.120 -23.055 -9.611 1.00 53.04 H new ATOM 0 HD11 ILE A 20 -1.440 -26.468 -9.469 1.00 23.51 H new ATOM 0 HD12 ILE A 20 -0.717 -24.913 -8.991 1.00 23.51 H new ATOM 0 HD13 ILE A 20 -2.295 -24.945 -9.814 1.00 23.51 H new ATOM 323 N ARG A 21 -1.543 -20.808 -11.478 1.00 13.40 N ATOM 324 CA ARG A 21 -1.317 -19.423 -11.873 1.00 12.52 C ATOM 325 C ARG A 21 -1.341 -18.500 -10.658 1.00 11.13 C ATOM 326 O ARG A 21 -2.001 -18.789 -9.660 1.00 12.25 O ATOM 327 CB ARG A 21 -2.376 -18.979 -12.884 1.00 42.12 C ATOM 328 CG ARG A 21 -1.876 -17.937 -13.872 1.00 22.41 C ATOM 329 CD ARG A 21 -1.208 -18.585 -15.074 1.00 63.54 C ATOM 330 NE ARG A 21 -1.264 -17.732 -16.258 1.00 51.20 N ATOM 331 CZ ARG A 21 -2.370 -17.530 -16.966 1.00 45.44 C ATOM 332 NH1 ARG A 21 -3.504 -18.116 -16.612 1.00 74.41 N ATOM 333 NH2 ARG A 21 -2.341 -16.739 -18.031 1.00 52.43 N ATOM 0 H ARG A 21 -1.737 -20.937 -10.485 1.00 13.40 H new ATOM 0 HA ARG A 21 -0.332 -19.360 -12.337 1.00 12.52 H new ATOM 0 HB2 ARG A 21 -2.728 -19.851 -13.435 1.00 42.12 H new ATOM 0 HB3 ARG A 21 -3.233 -18.575 -12.346 1.00 42.12 H new ATOM 0 HG2 ARG A 21 -2.711 -17.321 -14.206 1.00 22.41 H new ATOM 0 HG3 ARG A 21 -1.169 -17.273 -13.375 1.00 22.41 H new ATOM 0 HD2 ARG A 21 -0.168 -18.806 -14.835 1.00 63.54 H new ATOM 0 HD3 ARG A 21 -1.694 -19.536 -15.290 1.00 63.54 H new ATOM 0 HE ARG A 21 -0.408 -17.266 -16.558 1.00 51.20 H new ATOM 0 HH11 ARG A 21 -3.530 -18.724 -15.794 1.00 74.41 H new ATOM 0 HH12 ARG A 21 -4.351 -17.959 -17.158 1.00 74.41 H new ATOM 0 HH21 ARG A 21 -1.470 -16.286 -18.306 1.00 52.43 H new ATOM 0 HH22 ARG A 21 -3.190 -16.584 -18.574 1.00 52.43 H new ATOM 347 N ARG A 22 -0.616 -17.390 -10.750 1.00 14.32 N ATOM 348 CA ARG A 22 -0.553 -16.426 -9.658 1.00 11.12 C ATOM 349 C ARG A 22 -0.512 -14.998 -10.195 1.00 35.05 C ATOM 350 O ARG A 22 -0.277 -14.777 -11.383 1.00 14.34 O ATOM 351 CB ARG A 22 0.677 -16.690 -8.787 1.00 14.11 C ATOM 352 CG ARG A 22 1.993 -16.554 -9.535 1.00 31.24 C ATOM 353 CD ARG A 22 2.514 -17.907 -9.995 1.00 1.41 C ATOM 354 NE ARG A 22 3.297 -17.802 -11.223 1.00 62.22 N ATOM 355 CZ ARG A 22 3.573 -18.837 -12.009 1.00 24.22 C ATOM 356 NH1 ARG A 22 3.132 -20.048 -11.696 1.00 40.40 N ATOM 357 NH2 ARG A 22 4.292 -18.662 -13.110 1.00 63.24 N ATOM 0 H ARG A 22 -0.064 -17.136 -11.569 1.00 14.32 H new ATOM 0 HA ARG A 22 -1.451 -16.542 -9.052 1.00 11.12 H new ATOM 0 HB2 ARG A 22 0.673 -15.995 -7.947 1.00 14.11 H new ATOM 0 HB3 ARG A 22 0.608 -17.695 -8.370 1.00 14.11 H new ATOM 0 HG2 ARG A 22 1.857 -15.903 -10.398 1.00 31.24 H new ATOM 0 HG3 ARG A 22 2.732 -16.078 -8.890 1.00 31.24 H new ATOM 0 HD2 ARG A 22 3.129 -18.345 -9.209 1.00 1.41 H new ATOM 0 HD3 ARG A 22 1.674 -18.583 -10.157 1.00 1.41 H new ATOM 0 HE ARG A 22 3.651 -16.884 -11.492 1.00 62.22 H new ATOM 0 HH11 ARG A 22 2.579 -20.187 -10.850 1.00 40.40 H new ATOM 0 HH12 ARG A 22 3.345 -20.841 -12.301 1.00 40.40 H new ATOM 0 HH21 ARG A 22 4.633 -17.732 -13.354 1.00 63.24 H new ATOM 0 HH22 ARG A 22 4.503 -19.457 -13.713 1.00 63.24 H new ATOM 371 N PHE A 23 -0.744 -14.033 -9.311 1.00 43.41 N ATOM 372 CA PHE A 23 -0.735 -12.626 -9.696 1.00 71.10 C ATOM 373 C PHE A 23 -0.351 -11.741 -8.514 1.00 22.01 C ATOM 374 O PHE A 23 -0.520 -12.125 -7.357 1.00 3.24 O ATOM 375 CB PHE A 23 -2.108 -12.214 -10.231 1.00 41.54 C ATOM 376 CG PHE A 23 -3.196 -12.271 -9.198 1.00 74.40 C ATOM 377 CD1 PHE A 23 -3.921 -13.436 -9.001 1.00 13.43 C ATOM 378 CD2 PHE A 23 -3.494 -11.162 -8.424 1.00 13.24 C ATOM 379 CE1 PHE A 23 -4.924 -13.491 -8.051 1.00 61.11 C ATOM 380 CE2 PHE A 23 -4.496 -11.211 -7.472 1.00 63.41 C ATOM 381 CZ PHE A 23 -5.211 -12.378 -7.285 1.00 24.10 C ATOM 0 H PHE A 23 -0.940 -14.199 -8.324 1.00 43.41 H new ATOM 0 HA PHE A 23 0.009 -12.495 -10.482 1.00 71.10 H new ATOM 0 HB2 PHE A 23 -2.046 -11.200 -10.626 1.00 41.54 H new ATOM 0 HB3 PHE A 23 -2.375 -12.865 -11.064 1.00 41.54 H new ATOM 0 HD1 PHE A 23 -3.700 -14.310 -9.596 1.00 13.43 H new ATOM 0 HD2 PHE A 23 -2.937 -10.248 -8.566 1.00 13.24 H new ATOM 0 HE1 PHE A 23 -5.483 -14.404 -7.908 1.00 61.11 H new ATOM 0 HE2 PHE A 23 -4.719 -10.338 -6.876 1.00 63.41 H new ATOM 0 HZ PHE A 23 -5.993 -12.420 -6.541 1.00 24.10 H new ATOM 391 N SER A 24 0.168 -10.555 -8.815 1.00 13.44 N ATOM 392 CA SER A 24 0.581 -9.616 -7.778 1.00 14.11 C ATOM 393 C SER A 24 -0.632 -8.955 -7.129 1.00 21.41 C ATOM 394 O SER A 24 -1.328 -8.157 -7.756 1.00 74.21 O ATOM 395 CB SER A 24 1.504 -8.547 -8.366 1.00 72.23 C ATOM 396 OG SER A 24 2.866 -8.902 -8.200 1.00 14.24 O ATOM 0 H SER A 24 0.313 -10.221 -9.768 1.00 13.44 H new ATOM 0 HA SER A 24 1.123 -10.173 -7.013 1.00 14.11 H new ATOM 0 HB2 SER A 24 1.286 -8.416 -9.426 1.00 72.23 H new ATOM 0 HB3 SER A 24 1.313 -7.590 -7.881 1.00 72.23 H new ATOM 0 HG SER A 24 3.435 -8.204 -8.585 1.00 14.24 H new ATOM 402 N PHE A 25 -0.878 -9.294 -5.868 1.00 31.53 N ATOM 403 CA PHE A 25 -2.007 -8.736 -5.132 1.00 63.13 C ATOM 404 C PHE A 25 -1.542 -7.653 -4.163 1.00 51.23 C ATOM 405 O PHE A 25 -0.445 -7.730 -3.608 1.00 73.34 O ATOM 406 CB PHE A 25 -2.741 -9.840 -4.368 1.00 3.44 C ATOM 407 CG PHE A 25 -3.971 -9.358 -3.654 1.00 12.42 C ATOM 408 CD1 PHE A 25 -5.087 -8.951 -4.367 1.00 34.21 C ATOM 409 CD2 PHE A 25 -4.011 -9.311 -2.270 1.00 14.44 C ATOM 410 CE1 PHE A 25 -6.222 -8.507 -3.713 1.00 64.51 C ATOM 411 CE2 PHE A 25 -5.143 -8.868 -1.610 1.00 62.34 C ATOM 412 CZ PHE A 25 -6.249 -8.465 -2.333 1.00 23.10 C ATOM 0 H PHE A 25 -0.311 -9.953 -5.334 1.00 31.53 H new ATOM 0 HA PHE A 25 -2.691 -8.286 -5.851 1.00 63.13 H new ATOM 0 HB2 PHE A 25 -3.021 -10.629 -5.066 1.00 3.44 H new ATOM 0 HB3 PHE A 25 -2.059 -10.284 -3.642 1.00 3.44 H new ATOM 0 HD1 PHE A 25 -5.071 -8.981 -5.446 1.00 34.21 H new ATOM 0 HD2 PHE A 25 -3.149 -9.624 -1.700 1.00 14.44 H new ATOM 0 HE1 PHE A 25 -7.086 -8.194 -4.281 1.00 64.51 H new ATOM 0 HE2 PHE A 25 -5.162 -8.837 -0.531 1.00 62.34 H new ATOM 0 HZ PHE A 25 -7.133 -8.118 -1.820 1.00 23.10 H new ATOM 422 N CYS A 26 -2.383 -6.644 -3.966 1.00 34.14 N ATOM 423 CA CYS A 26 -2.059 -5.544 -3.065 1.00 15.51 C ATOM 424 C CYS A 26 -2.197 -5.975 -1.608 1.00 40.53 C ATOM 425 O CYS A 26 -3.079 -6.761 -1.263 1.00 70.23 O ATOM 426 CB CYS A 26 -2.968 -4.345 -3.343 1.00 32.22 C ATOM 427 SG CYS A 26 -2.224 -3.085 -4.404 1.00 42.30 S ATOM 0 H CYS A 26 -3.294 -6.565 -4.418 1.00 34.14 H new ATOM 0 HA CYS A 26 -1.023 -5.255 -3.243 1.00 15.51 H new ATOM 0 HB2 CYS A 26 -3.887 -4.700 -3.809 1.00 32.22 H new ATOM 0 HB3 CYS A 26 -3.247 -3.887 -2.394 1.00 32.22 H new ATOM 0 HG CYS A 26 -3.069 -2.114 -4.583 1.00 42.30 H new ATOM 433 N PHE A 27 -1.318 -5.455 -0.758 1.00 21.44 N ATOM 434 CA PHE A 27 -1.339 -5.789 0.662 1.00 53.51 C ATOM 435 C PHE A 27 -2.184 -4.786 1.443 1.00 33.41 C ATOM 436 O PHE A 27 -2.099 -4.708 2.669 1.00 71.44 O ATOM 437 CB PHE A 27 0.084 -5.818 1.222 1.00 63.30 C ATOM 438 CG PHE A 27 0.188 -6.489 2.562 1.00 75.42 C ATOM 439 CD1 PHE A 27 -0.445 -7.700 2.796 1.00 54.43 C ATOM 440 CD2 PHE A 27 0.918 -5.910 3.587 1.00 33.40 C ATOM 441 CE1 PHE A 27 -0.353 -8.319 4.028 1.00 44.32 C ATOM 442 CE2 PHE A 27 1.014 -6.525 4.821 1.00 24.03 C ATOM 443 CZ PHE A 27 0.379 -7.731 5.041 1.00 21.45 C ATOM 0 H PHE A 27 -0.583 -4.801 -1.027 1.00 21.44 H new ATOM 0 HA PHE A 27 -1.785 -6.778 0.771 1.00 53.51 H new ATOM 0 HB2 PHE A 27 0.734 -6.334 0.515 1.00 63.30 H new ATOM 0 HB3 PHE A 27 0.453 -4.796 1.307 1.00 63.30 H new ATOM 0 HD1 PHE A 27 -1.017 -8.165 2.006 1.00 54.43 H new ATOM 0 HD2 PHE A 27 1.418 -4.967 3.420 1.00 33.40 H new ATOM 0 HE1 PHE A 27 -0.853 -9.261 4.199 1.00 44.32 H new ATOM 0 HE2 PHE A 27 1.585 -6.063 5.612 1.00 24.03 H new ATOM 0 HZ PHE A 27 0.455 -8.214 6.004 1.00 21.45 H new ATOM 453 N SER A 28 -2.999 -4.021 0.724 1.00 32.11 N ATOM 454 CA SER A 28 -3.857 -3.020 1.348 1.00 21.51 C ATOM 455 C SER A 28 -4.913 -3.683 2.228 1.00 3.31 C ATOM 456 O SER A 28 -5.212 -4.870 2.097 1.00 44.22 O ATOM 457 CB SER A 28 -4.534 -2.160 0.279 1.00 21.34 C ATOM 458 OG SER A 28 -3.752 -1.019 -0.027 1.00 40.13 O ATOM 0 H SER A 28 -3.083 -4.075 -0.291 1.00 32.11 H new ATOM 0 HA SER A 28 -3.234 -2.383 1.975 1.00 21.51 H new ATOM 0 HB2 SER A 28 -4.689 -2.751 -0.623 1.00 21.34 H new ATOM 0 HB3 SER A 28 -5.518 -1.847 0.628 1.00 21.34 H new ATOM 0 HG SER A 28 -4.205 -0.487 -0.714 1.00 40.13 H new ATOM 464 N PRO A 29 -5.492 -2.897 3.148 1.00 30.33 N ATOM 465 CA PRO A 29 -6.524 -3.385 4.068 1.00 1.45 C ATOM 466 C PRO A 29 -7.838 -3.688 3.357 1.00 13.24 C ATOM 467 O PRO A 29 -8.433 -4.746 3.558 1.00 24.31 O ATOM 468 CB PRO A 29 -6.702 -2.223 5.049 1.00 0.21 C ATOM 469 CG PRO A 29 -6.278 -1.015 4.287 1.00 65.31 C ATOM 470 CD PRO A 29 -5.185 -1.473 3.361 1.00 43.00 C ATOM 0 HA PRO A 29 -6.236 -4.322 4.544 1.00 1.45 H new ATOM 0 HB2 PRO A 29 -7.737 -2.139 5.380 1.00 0.21 H new ATOM 0 HB3 PRO A 29 -6.092 -2.362 5.942 1.00 0.21 H new ATOM 0 HG2 PRO A 29 -7.113 -0.594 3.727 1.00 65.31 H new ATOM 0 HG3 PRO A 29 -5.919 -0.235 4.959 1.00 65.31 H new ATOM 0 HD2 PRO A 29 -5.193 -0.916 2.424 1.00 43.00 H new ATOM 0 HD3 PRO A 29 -4.199 -1.337 3.805 1.00 43.00 H new ATOM 478 N GLU A 30 -8.286 -2.752 2.526 1.00 2.21 N ATOM 479 CA GLU A 30 -9.531 -2.920 1.786 1.00 62.51 C ATOM 480 C GLU A 30 -9.490 -2.149 0.470 1.00 51.01 C ATOM 481 O GLU A 30 -8.782 -1.152 0.327 1.00 14.35 O ATOM 482 CB GLU A 30 -10.719 -2.451 2.629 1.00 64.15 C ATOM 483 CG GLU A 30 -10.835 -3.162 3.966 1.00 5.04 C ATOM 484 CD GLU A 30 -12.017 -2.678 4.783 1.00 20.54 C ATOM 485 OE1 GLU A 30 -12.616 -1.650 4.407 1.00 54.52 O ATOM 486 OE2 GLU A 30 -12.343 -3.328 5.799 1.00 63.23 O ATOM 0 H GLU A 30 -7.805 -1.870 2.349 1.00 2.21 H new ATOM 0 HA GLU A 30 -9.650 -3.980 1.562 1.00 62.51 H new ATOM 0 HB2 GLU A 30 -10.629 -1.379 2.804 1.00 64.15 H new ATOM 0 HB3 GLU A 30 -11.638 -2.606 2.064 1.00 64.15 H new ATOM 0 HG2 GLU A 30 -10.930 -4.234 3.796 1.00 5.04 H new ATOM 0 HG3 GLU A 30 -9.918 -3.010 4.535 1.00 5.04 H new ATOM 493 N PRO A 31 -10.267 -2.621 -0.516 1.00 51.23 N ATOM 494 CA PRO A 31 -10.338 -1.991 -1.838 1.00 71.22 C ATOM 495 C PRO A 31 -11.041 -0.639 -1.799 1.00 42.51 C ATOM 496 O PRO A 31 -10.543 0.345 -2.346 1.00 73.01 O ATOM 497 CB PRO A 31 -11.150 -2.992 -2.665 1.00 1.14 C ATOM 498 CG PRO A 31 -11.972 -3.730 -1.665 1.00 63.00 C ATOM 499 CD PRO A 31 -11.137 -3.805 -0.417 1.00 23.03 C ATOM 0 HA PRO A 31 -9.348 -1.785 -2.245 1.00 71.22 H new ATOM 0 HB2 PRO A 31 -11.778 -2.484 -3.396 1.00 1.14 H new ATOM 0 HB3 PRO A 31 -10.499 -3.668 -3.219 1.00 1.14 H new ATOM 0 HG2 PRO A 31 -12.912 -3.213 -1.475 1.00 63.00 H new ATOM 0 HG3 PRO A 31 -12.224 -4.727 -2.026 1.00 63.00 H new ATOM 0 HD2 PRO A 31 -11.754 -3.776 0.481 1.00 23.03 H new ATOM 0 HD3 PRO A 31 -10.557 -4.727 -0.376 1.00 23.03 H new ATOM 507 N GLU A 32 -12.199 -0.597 -1.149 1.00 34.15 N ATOM 508 CA GLU A 32 -12.970 0.636 -1.039 1.00 43.12 C ATOM 509 C GLU A 32 -13.384 0.893 0.407 1.00 65.20 C ATOM 510 O GLU A 32 -13.320 -0.002 1.250 1.00 51.41 O ATOM 511 CB GLU A 32 -14.210 0.569 -1.932 1.00 55.41 C ATOM 512 CG GLU A 32 -14.780 1.933 -2.286 1.00 44.12 C ATOM 513 CD GLU A 32 -13.741 2.861 -2.887 1.00 31.51 C ATOM 514 OE1 GLU A 32 -13.174 2.512 -3.943 1.00 44.00 O ATOM 515 OE2 GLU A 32 -13.497 3.936 -2.300 1.00 64.40 O ATOM 0 H GLU A 32 -12.624 -1.403 -0.690 1.00 34.15 H new ATOM 0 HA GLU A 32 -12.337 1.460 -1.369 1.00 43.12 H new ATOM 0 HB2 GLU A 32 -13.957 0.041 -2.851 1.00 55.41 H new ATOM 0 HB3 GLU A 32 -14.979 -0.017 -1.428 1.00 55.41 H new ATOM 0 HG2 GLU A 32 -15.601 1.808 -2.992 1.00 44.12 H new ATOM 0 HG3 GLU A 32 -15.197 2.392 -1.390 1.00 44.12 H new ATOM 522 N ALA A 33 -13.807 2.121 0.686 1.00 3.30 N ATOM 523 CA ALA A 33 -14.232 2.496 2.029 1.00 52.12 C ATOM 524 C ALA A 33 -15.751 2.604 2.113 1.00 0.52 C ATOM 525 O ALA A 33 -16.347 2.300 3.145 1.00 31.45 O ATOM 526 CB ALA A 33 -13.584 3.810 2.441 1.00 62.54 C ATOM 0 H ALA A 33 -13.865 2.874 -0.000 1.00 3.30 H new ATOM 0 HA ALA A 33 -13.910 1.714 2.717 1.00 52.12 H new ATOM 0 HB1 ALA A 33 -13.911 4.077 3.446 1.00 62.54 H new ATOM 0 HB2 ALA A 33 -12.500 3.700 2.429 1.00 62.54 H new ATOM 0 HB3 ALA A 33 -13.877 4.595 1.743 1.00 62.54 H new ATOM 532 N GLU A 34 -16.370 3.041 1.021 1.00 52.12 N ATOM 533 CA GLU A 34 -17.820 3.191 0.974 1.00 61.24 C ATOM 534 C GLU A 34 -18.470 1.985 0.301 1.00 23.23 C ATOM 535 O GLU A 34 -19.267 1.274 0.913 1.00 5.23 O ATOM 536 CB GLU A 34 -18.199 4.471 0.226 1.00 63.11 C ATOM 537 CG GLU A 34 -18.130 5.721 1.086 1.00 5.42 C ATOM 538 CD GLU A 34 -18.439 6.984 0.306 1.00 42.22 C ATOM 539 OE1 GLU A 34 -19.627 7.360 0.232 1.00 51.44 O ATOM 540 OE2 GLU A 34 -17.491 7.596 -0.231 1.00 15.34 O ATOM 0 H GLU A 34 -15.891 3.297 0.158 1.00 52.12 H new ATOM 0 HA GLU A 34 -18.186 3.255 1.999 1.00 61.24 H new ATOM 0 HB2 GLU A 34 -17.535 4.592 -0.630 1.00 63.11 H new ATOM 0 HB3 GLU A 34 -19.210 4.366 -0.167 1.00 63.11 H new ATOM 0 HG2 GLU A 34 -18.834 5.628 1.913 1.00 5.42 H new ATOM 0 HG3 GLU A 34 -17.135 5.803 1.523 1.00 5.42 H new ATOM 547 N ALA A 35 -18.123 1.761 -0.962 1.00 54.32 N ATOM 548 CA ALA A 35 -18.671 0.641 -1.718 1.00 0.53 C ATOM 549 C ALA A 35 -18.506 -0.669 -0.955 1.00 44.41 C ATOM 550 O ALA A 35 -19.316 -1.585 -1.093 1.00 2.50 O ATOM 551 CB ALA A 35 -18.003 0.548 -3.082 1.00 13.33 C ATOM 0 H ALA A 35 -17.465 2.340 -1.483 1.00 54.32 H new ATOM 0 HA ALA A 35 -19.737 0.817 -1.859 1.00 0.53 H new ATOM 0 HB1 ALA A 35 -18.422 -0.292 -3.636 1.00 13.33 H new ATOM 0 HB2 ALA A 35 -18.177 1.470 -3.636 1.00 13.33 H new ATOM 0 HB3 ALA A 35 -16.931 0.399 -2.953 1.00 13.33 H new ATOM 557 N ALA A 36 -17.451 -0.751 -0.151 1.00 4.30 N ATOM 558 CA ALA A 36 -17.180 -1.948 0.634 1.00 31.54 C ATOM 559 C ALA A 36 -18.232 -2.141 1.722 1.00 61.24 C ATOM 560 O ALA A 36 -18.224 -1.445 2.736 1.00 31.13 O ATOM 561 CB ALA A 36 -15.790 -1.874 1.249 1.00 14.32 C ATOM 0 H ALA A 36 -16.770 -0.002 -0.027 1.00 4.30 H new ATOM 0 HA ALA A 36 -17.224 -2.808 -0.035 1.00 31.54 H new ATOM 0 HB1 ALA A 36 -15.602 -2.775 1.833 1.00 14.32 H new ATOM 0 HB2 ALA A 36 -15.046 -1.793 0.457 1.00 14.32 H new ATOM 0 HB3 ALA A 36 -15.726 -1.001 1.899 1.00 14.32 H new ATOM 567 N ALA A 37 -19.136 -3.090 1.502 1.00 54.11 N ATOM 568 CA ALA A 37 -20.194 -3.375 2.464 1.00 41.42 C ATOM 569 C ALA A 37 -19.793 -4.509 3.401 1.00 41.12 C ATOM 570 O ALA A 37 -20.577 -5.421 3.658 1.00 61.32 O ATOM 571 CB ALA A 37 -21.487 -3.718 1.740 1.00 54.22 C ATOM 0 H ALA A 37 -19.157 -3.674 0.666 1.00 54.11 H new ATOM 0 HA ALA A 37 -20.354 -2.481 3.066 1.00 41.42 H new ATOM 0 HB1 ALA A 37 -22.268 -3.929 2.470 1.00 54.22 H new ATOM 0 HB2 ALA A 37 -21.790 -2.876 1.117 1.00 54.22 H new ATOM 0 HB3 ALA A 37 -21.331 -4.596 1.113 1.00 54.22 H new ATOM 577 N GLY A 38 -18.566 -4.445 3.908 1.00 25.34 N ATOM 578 CA GLY A 38 -18.082 -5.474 4.811 1.00 42.13 C ATOM 579 C GLY A 38 -16.768 -6.075 4.353 1.00 23.23 C ATOM 580 O GLY A 38 -15.703 -5.783 4.899 1.00 54.01 O ATOM 0 H GLY A 38 -17.898 -3.700 3.710 1.00 25.34 H new ATOM 0 HA2 GLY A 38 -17.956 -5.049 5.807 1.00 42.13 H new ATOM 0 HA3 GLY A 38 -18.830 -6.263 4.893 1.00 42.13 H new ATOM 584 N PRO A 39 -16.832 -6.938 3.329 1.00 73.52 N ATOM 585 CA PRO A 39 -15.647 -7.602 2.776 1.00 13.54 C ATOM 586 C PRO A 39 -14.736 -6.633 2.031 1.00 42.14 C ATOM 587 O PRO A 39 -14.981 -5.428 2.008 1.00 43.52 O ATOM 588 CB PRO A 39 -16.236 -8.633 1.811 1.00 62.13 C ATOM 589 CG PRO A 39 -17.563 -8.076 1.424 1.00 24.53 C ATOM 590 CD PRO A 39 -18.067 -7.333 2.630 1.00 30.33 C ATOM 0 HA PRO A 39 -15.022 -8.037 3.556 1.00 13.54 H new ATOM 0 HB2 PRO A 39 -15.595 -8.771 0.940 1.00 62.13 H new ATOM 0 HB3 PRO A 39 -16.340 -9.608 2.288 1.00 62.13 H new ATOM 0 HG2 PRO A 39 -17.472 -7.411 0.566 1.00 24.53 H new ATOM 0 HG3 PRO A 39 -18.252 -8.871 1.139 1.00 24.53 H new ATOM 0 HD2 PRO A 39 -18.663 -6.466 2.347 1.00 30.33 H new ATOM 0 HD3 PRO A 39 -18.698 -7.964 3.256 1.00 30.33 H new ATOM 598 N GLY A 40 -13.683 -7.169 1.420 1.00 1.25 N ATOM 599 CA GLY A 40 -12.751 -6.337 0.682 1.00 60.14 C ATOM 600 C GLY A 40 -11.797 -7.151 -0.170 1.00 52.12 C ATOM 601 O GLY A 40 -11.936 -7.232 -1.391 1.00 34.42 O ATOM 0 H GLY A 40 -13.459 -8.164 1.423 1.00 1.25 H new ATOM 0 HA2 GLY A 40 -13.308 -5.651 0.044 1.00 60.14 H new ATOM 0 HA3 GLY A 40 -12.179 -5.728 1.382 1.00 60.14 H new ATOM 605 N PRO A 41 -10.800 -7.770 0.478 1.00 21.44 N ATOM 606 CA PRO A 41 -9.799 -8.592 -0.208 1.00 42.15 C ATOM 607 C PRO A 41 -10.386 -9.891 -0.748 1.00 35.51 C ATOM 608 O PRO A 41 -9.966 -10.387 -1.794 1.00 43.10 O ATOM 609 CB PRO A 41 -8.769 -8.884 0.885 1.00 22.34 C ATOM 610 CG PRO A 41 -9.530 -8.776 2.161 1.00 11.34 C ATOM 611 CD PRO A 41 -10.573 -7.717 1.932 1.00 11.04 C ATOM 0 HA PRO A 41 -9.384 -8.085 -1.079 1.00 42.15 H new ATOM 0 HB2 PRO A 41 -8.336 -9.877 0.765 1.00 22.34 H new ATOM 0 HB3 PRO A 41 -7.945 -8.171 0.854 1.00 22.34 H new ATOM 0 HG2 PRO A 41 -9.991 -9.728 2.422 1.00 11.34 H new ATOM 0 HG3 PRO A 41 -8.872 -8.504 2.986 1.00 11.34 H new ATOM 0 HD2 PRO A 41 -11.486 -7.926 2.489 1.00 11.04 H new ATOM 0 HD3 PRO A 41 -10.224 -6.734 2.249 1.00 11.04 H new ATOM 619 N CYS A 42 -11.360 -10.438 -0.029 1.00 32.24 N ATOM 620 CA CYS A 42 -12.006 -11.681 -0.436 1.00 22.35 C ATOM 621 C CYS A 42 -12.686 -11.522 -1.791 1.00 74.21 C ATOM 622 O CYS A 42 -12.409 -12.272 -2.727 1.00 10.52 O ATOM 623 CB CYS A 42 -13.029 -12.116 0.615 1.00 60.44 C ATOM 624 SG CYS A 42 -14.039 -13.532 0.119 1.00 0.11 S ATOM 0 H CYS A 42 -11.720 -10.040 0.839 1.00 32.24 H new ATOM 0 HA CYS A 42 -11.238 -12.449 -0.524 1.00 22.35 H new ATOM 0 HB2 CYS A 42 -12.504 -12.363 1.538 1.00 60.44 H new ATOM 0 HB3 CYS A 42 -13.686 -11.275 0.838 1.00 60.44 H new ATOM 0 HG CYS A 42 -15.266 -13.348 0.508 1.00 0.11 H new ATOM 630 N GLU A 43 -13.580 -10.542 -1.888 1.00 25.23 N ATOM 631 CA GLU A 43 -14.302 -10.287 -3.129 1.00 25.23 C ATOM 632 C GLU A 43 -13.334 -9.967 -4.265 1.00 15.22 C ATOM 633 O GLU A 43 -13.644 -10.182 -5.437 1.00 22.33 O ATOM 634 CB GLU A 43 -15.288 -9.132 -2.943 1.00 22.32 C ATOM 635 CG GLU A 43 -15.904 -8.643 -4.243 1.00 2.24 C ATOM 636 CD GLU A 43 -16.728 -9.710 -4.936 1.00 34.02 C ATOM 637 OE1 GLU A 43 -17.516 -10.392 -4.248 1.00 21.33 O ATOM 638 OE2 GLU A 43 -16.586 -9.862 -6.167 1.00 62.42 O ATOM 0 H GLU A 43 -13.821 -9.912 -1.123 1.00 25.23 H new ATOM 0 HA GLU A 43 -14.856 -11.189 -3.390 1.00 25.23 H new ATOM 0 HB2 GLU A 43 -16.084 -9.450 -2.270 1.00 22.32 H new ATOM 0 HB3 GLU A 43 -14.775 -8.301 -2.459 1.00 22.32 H new ATOM 0 HG2 GLU A 43 -16.535 -7.778 -4.039 1.00 2.24 H new ATOM 0 HG3 GLU A 43 -15.112 -8.309 -4.913 1.00 2.24 H new ATOM 645 N ARG A 44 -12.163 -9.450 -3.909 1.00 22.34 N ATOM 646 CA ARG A 44 -11.151 -9.098 -4.897 1.00 61.23 C ATOM 647 C ARG A 44 -10.413 -10.341 -5.386 1.00 5.01 C ATOM 648 O ARG A 44 -10.277 -10.562 -6.590 1.00 21.50 O ATOM 649 CB ARG A 44 -10.155 -8.100 -4.305 1.00 44.33 C ATOM 650 CG ARG A 44 -10.417 -6.660 -4.717 1.00 71.41 C ATOM 651 CD ARG A 44 -11.835 -6.232 -4.371 1.00 44.24 C ATOM 652 NE ARG A 44 -12.696 -6.187 -5.550 1.00 44.22 N ATOM 653 CZ ARG A 44 -12.680 -5.195 -6.434 1.00 34.11 C ATOM 654 NH1 ARG A 44 -11.853 -4.172 -6.273 1.00 65.12 N ATOM 655 NH2 ARG A 44 -13.494 -5.226 -7.481 1.00 53.25 N ATOM 0 H ARG A 44 -11.892 -9.266 -2.943 1.00 22.34 H new ATOM 0 HA ARG A 44 -11.654 -8.637 -5.747 1.00 61.23 H new ATOM 0 HB2 ARG A 44 -10.187 -8.169 -3.218 1.00 44.33 H new ATOM 0 HB3 ARG A 44 -9.147 -8.379 -4.613 1.00 44.33 H new ATOM 0 HG2 ARG A 44 -9.705 -6.002 -4.218 1.00 71.41 H new ATOM 0 HG3 ARG A 44 -10.254 -6.552 -5.789 1.00 71.41 H new ATOM 0 HD2 ARG A 44 -12.255 -6.925 -3.642 1.00 44.24 H new ATOM 0 HD3 ARG A 44 -11.812 -5.249 -3.901 1.00 44.24 H new ATOM 0 HE ARG A 44 -13.345 -6.959 -5.703 1.00 44.22 H new ATOM 0 HH11 ARG A 44 -11.226 -4.145 -5.469 1.00 65.12 H new ATOM 0 HH12 ARG A 44 -11.843 -3.412 -6.953 1.00 65.12 H new ATOM 0 HH21 ARG A 44 -14.132 -6.011 -7.608 1.00 53.25 H new ATOM 0 HH22 ARG A 44 -13.482 -4.464 -8.159 1.00 53.25 H new ATOM 669 N LEU A 45 -9.937 -11.148 -4.444 1.00 63.34 N ATOM 670 CA LEU A 45 -9.211 -12.369 -4.778 1.00 73.13 C ATOM 671 C LEU A 45 -10.108 -13.347 -5.530 1.00 34.30 C ATOM 672 O LEU A 45 -9.736 -13.864 -6.584 1.00 65.01 O ATOM 673 CB LEU A 45 -8.671 -13.028 -3.508 1.00 65.12 C ATOM 674 CG LEU A 45 -8.282 -14.502 -3.630 1.00 2.10 C ATOM 675 CD1 LEU A 45 -7.228 -14.688 -4.710 1.00 64.41 C ATOM 676 CD2 LEU A 45 -7.780 -15.033 -2.295 1.00 72.21 C ATOM 0 H LEU A 45 -10.041 -10.979 -3.443 1.00 63.34 H new ATOM 0 HA LEU A 45 -8.375 -12.100 -5.424 1.00 73.13 H new ATOM 0 HB2 LEU A 45 -7.797 -12.468 -3.176 1.00 65.12 H new ATOM 0 HB3 LEU A 45 -9.425 -12.935 -2.726 1.00 65.12 H new ATOM 0 HG LEU A 45 -9.168 -15.070 -3.914 1.00 2.10 H new ATOM 0 HD11 LEU A 45 -6.964 -15.743 -4.782 1.00 64.41 H new ATOM 0 HD12 LEU A 45 -7.623 -14.346 -5.667 1.00 64.41 H new ATOM 0 HD13 LEU A 45 -6.341 -14.108 -4.456 1.00 64.41 H new ATOM 0 HD21 LEU A 45 -7.508 -16.083 -2.400 1.00 72.21 H new ATOM 0 HD22 LEU A 45 -6.907 -14.461 -1.981 1.00 72.21 H new ATOM 0 HD23 LEU A 45 -8.566 -14.935 -1.546 1.00 72.21 H new ATOM 688 N LEU A 46 -11.293 -13.596 -4.983 1.00 0.34 N ATOM 689 CA LEU A 46 -12.246 -14.510 -5.602 1.00 65.45 C ATOM 690 C LEU A 46 -12.590 -14.060 -7.019 1.00 32.35 C ATOM 691 O LEU A 46 -13.020 -14.862 -7.848 1.00 50.20 O ATOM 692 CB LEU A 46 -13.519 -14.600 -4.760 1.00 22.35 C ATOM 693 CG LEU A 46 -13.359 -15.206 -3.365 1.00 20.13 C ATOM 694 CD1 LEU A 46 -14.711 -15.337 -2.681 1.00 52.52 C ATOM 695 CD2 LEU A 46 -12.668 -16.560 -3.447 1.00 52.50 C ATOM 0 H LEU A 46 -11.617 -13.177 -4.111 1.00 0.34 H new ATOM 0 HA LEU A 46 -11.784 -15.496 -5.655 1.00 65.45 H new ATOM 0 HB2 LEU A 46 -13.932 -13.597 -4.653 1.00 22.35 H new ATOM 0 HB3 LEU A 46 -14.253 -15.190 -5.309 1.00 22.35 H new ATOM 0 HG LEU A 46 -12.737 -14.538 -2.770 1.00 20.13 H new ATOM 0 HD11 LEU A 46 -14.577 -15.770 -1.690 1.00 52.52 H new ATOM 0 HD12 LEU A 46 -15.169 -14.352 -2.588 1.00 52.52 H new ATOM 0 HD13 LEU A 46 -15.358 -15.983 -3.275 1.00 52.52 H new ATOM 0 HD21 LEU A 46 -12.563 -16.976 -2.445 1.00 52.50 H new ATOM 0 HD22 LEU A 46 -13.264 -17.236 -4.060 1.00 52.50 H new ATOM 0 HD23 LEU A 46 -11.682 -16.439 -3.895 1.00 52.50 H new ATOM 707 N SER A 47 -12.397 -12.773 -7.289 1.00 24.35 N ATOM 708 CA SER A 47 -12.688 -12.216 -8.604 1.00 55.10 C ATOM 709 C SER A 47 -11.636 -12.645 -9.622 1.00 3.05 C ATOM 710 O SER A 47 -11.965 -13.113 -10.711 1.00 63.45 O ATOM 711 CB SER A 47 -12.752 -10.689 -8.532 1.00 22.03 C ATOM 712 OG SER A 47 -14.089 -10.229 -8.624 1.00 61.11 O ATOM 0 H SER A 47 -12.040 -12.097 -6.614 1.00 24.35 H new ATOM 0 HA SER A 47 -13.657 -12.598 -8.926 1.00 55.10 H new ATOM 0 HB2 SER A 47 -12.310 -10.347 -7.596 1.00 22.03 H new ATOM 0 HB3 SER A 47 -12.160 -10.259 -9.340 1.00 22.03 H new ATOM 0 HG SER A 47 -14.102 -9.250 -8.574 1.00 61.11 H new ATOM 718 N ARG A 48 -10.368 -12.481 -9.257 1.00 32.20 N ATOM 719 CA ARG A 48 -9.266 -12.850 -10.137 1.00 53.15 C ATOM 720 C ARG A 48 -9.244 -14.356 -10.379 1.00 71.32 C ATOM 721 O ARG A 48 -9.154 -14.812 -11.519 1.00 44.44 O ATOM 722 CB ARG A 48 -7.933 -12.399 -9.537 1.00 72.24 C ATOM 723 CG ARG A 48 -7.967 -10.991 -8.967 1.00 51.44 C ATOM 724 CD ARG A 48 -8.502 -9.992 -9.982 1.00 12.13 C ATOM 725 NE ARG A 48 -7.808 -8.709 -9.906 1.00 23.40 N ATOM 726 CZ ARG A 48 -6.585 -8.507 -10.383 1.00 42.32 C ATOM 727 NH1 ARG A 48 -5.925 -9.497 -10.968 1.00 31.12 N ATOM 728 NH2 ARG A 48 -6.019 -7.311 -10.277 1.00 14.14 N ATOM 0 H ARG A 48 -10.079 -12.095 -8.358 1.00 32.20 H new ATOM 0 HA ARG A 48 -9.414 -12.348 -11.093 1.00 53.15 H new ATOM 0 HB2 ARG A 48 -7.646 -13.094 -8.748 1.00 72.24 H new ATOM 0 HB3 ARG A 48 -7.162 -12.452 -10.305 1.00 72.24 H new ATOM 0 HG2 ARG A 48 -8.592 -10.974 -8.074 1.00 51.44 H new ATOM 0 HG3 ARG A 48 -6.963 -10.697 -8.660 1.00 51.44 H new ATOM 0 HD2 ARG A 48 -8.395 -10.403 -10.986 1.00 12.13 H new ATOM 0 HD3 ARG A 48 -9.568 -9.838 -9.812 1.00 12.13 H new ATOM 0 HE ARG A 48 -8.288 -7.926 -9.463 1.00 23.40 H new ATOM 0 HH11 ARG A 48 -6.356 -10.417 -11.053 1.00 31.12 H new ATOM 0 HH12 ARG A 48 -4.986 -9.338 -11.333 1.00 31.12 H new ATOM 0 HH21 ARG A 48 -6.523 -6.546 -9.829 1.00 14.14 H new ATOM 0 HH22 ARG A 48 -5.080 -7.157 -10.644 1.00 14.14 H new ATOM 742 N VAL A 49 -9.327 -15.125 -9.298 1.00 21.30 N ATOM 743 CA VAL A 49 -9.317 -16.580 -9.392 1.00 61.20 C ATOM 744 C VAL A 49 -10.326 -17.071 -10.424 1.00 33.13 C ATOM 745 O VAL A 49 -10.113 -18.090 -11.080 1.00 44.44 O ATOM 746 CB VAL A 49 -9.630 -17.233 -8.032 1.00 52.35 C ATOM 747 CG1 VAL A 49 -9.646 -18.748 -8.158 1.00 73.45 C ATOM 748 CG2 VAL A 49 -8.623 -16.787 -6.983 1.00 63.34 C ATOM 0 H VAL A 49 -9.402 -14.764 -8.347 1.00 21.30 H new ATOM 0 HA VAL A 49 -8.313 -16.870 -9.703 1.00 61.20 H new ATOM 0 HB VAL A 49 -10.620 -16.909 -7.712 1.00 52.35 H new ATOM 0 HG11 VAL A 49 -9.869 -19.191 -7.188 1.00 73.45 H new ATOM 0 HG12 VAL A 49 -10.410 -19.045 -8.877 1.00 73.45 H new ATOM 0 HG13 VAL A 49 -8.671 -19.095 -8.500 1.00 73.45 H new ATOM 0 HG21 VAL A 49 -8.859 -17.258 -6.029 1.00 63.34 H new ATOM 0 HG22 VAL A 49 -7.620 -17.080 -7.294 1.00 63.34 H new ATOM 0 HG23 VAL A 49 -8.667 -15.703 -6.874 1.00 63.34 H new ATOM 758 N ALA A 50 -11.427 -16.339 -10.561 1.00 71.22 N ATOM 759 CA ALA A 50 -12.469 -16.699 -11.515 1.00 51.50 C ATOM 760 C ALA A 50 -11.989 -16.509 -12.950 1.00 21.31 C ATOM 761 O ALA A 50 -12.081 -17.422 -13.772 1.00 11.55 O ATOM 762 CB ALA A 50 -13.723 -15.874 -11.263 1.00 4.32 C ATOM 0 H ALA A 50 -11.620 -15.494 -10.024 1.00 71.22 H new ATOM 0 HA ALA A 50 -12.706 -17.754 -11.375 1.00 51.50 H new ATOM 0 HB1 ALA A 50 -14.493 -16.153 -11.982 1.00 4.32 H new ATOM 0 HB2 ALA A 50 -14.085 -16.062 -10.252 1.00 4.32 H new ATOM 0 HB3 ALA A 50 -13.490 -14.815 -11.373 1.00 4.32 H new ATOM 768 N VAL A 51 -11.476 -15.319 -13.246 1.00 14.15 N ATOM 769 CA VAL A 51 -10.981 -15.010 -14.582 1.00 32.23 C ATOM 770 C VAL A 51 -9.694 -15.770 -14.880 1.00 23.42 C ATOM 771 O VAL A 51 -9.330 -15.966 -16.040 1.00 43.02 O ATOM 772 CB VAL A 51 -10.724 -13.501 -14.750 1.00 50.01 C ATOM 773 CG1 VAL A 51 -9.803 -12.990 -13.653 1.00 24.42 C ATOM 774 CG2 VAL A 51 -10.141 -13.210 -16.125 1.00 34.40 C ATOM 0 H VAL A 51 -11.392 -14.553 -12.578 1.00 14.15 H new ATOM 0 HA VAL A 51 -11.754 -15.320 -15.286 1.00 32.23 H new ATOM 0 HB VAL A 51 -11.676 -12.977 -14.665 1.00 50.01 H new ATOM 0 HG11 VAL A 51 -9.633 -11.922 -13.789 1.00 24.42 H new ATOM 0 HG12 VAL A 51 -10.264 -13.163 -12.681 1.00 24.42 H new ATOM 0 HG13 VAL A 51 -8.851 -13.518 -13.702 1.00 24.42 H new ATOM 0 HG21 VAL A 51 -9.966 -12.139 -16.227 1.00 34.40 H new ATOM 0 HG22 VAL A 51 -9.198 -13.745 -16.241 1.00 34.40 H new ATOM 0 HG23 VAL A 51 -10.841 -13.538 -16.894 1.00 34.40 H new ATOM 784 N LEU A 52 -9.008 -16.198 -13.825 1.00 40.34 N ATOM 785 CA LEU A 52 -7.760 -16.938 -13.973 1.00 63.13 C ATOM 786 C LEU A 52 -8.028 -18.432 -14.127 1.00 44.24 C ATOM 787 O LEU A 52 -7.288 -19.138 -14.812 1.00 62.53 O ATOM 788 CB LEU A 52 -6.852 -16.693 -12.767 1.00 13.14 C ATOM 789 CG LEU A 52 -6.365 -15.256 -12.574 1.00 62.43 C ATOM 790 CD1 LEU A 52 -5.760 -15.079 -11.190 1.00 51.32 C ATOM 791 CD2 LEU A 52 -5.355 -14.887 -13.651 1.00 23.30 C ATOM 0 H LEU A 52 -9.295 -16.045 -12.858 1.00 40.34 H new ATOM 0 HA LEU A 52 -7.260 -16.582 -14.874 1.00 63.13 H new ATOM 0 HB2 LEU A 52 -7.386 -16.998 -11.867 1.00 13.14 H new ATOM 0 HB3 LEU A 52 -5.981 -17.342 -12.856 1.00 13.14 H new ATOM 0 HG LEU A 52 -7.221 -14.587 -12.662 1.00 62.43 H new ATOM 0 HD11 LEU A 52 -5.419 -14.051 -11.071 1.00 51.32 H new ATOM 0 HD12 LEU A 52 -6.512 -15.302 -10.433 1.00 51.32 H new ATOM 0 HD13 LEU A 52 -4.915 -15.757 -11.073 1.00 51.32 H new ATOM 0 HD21 LEU A 52 -5.019 -13.861 -13.499 1.00 23.30 H new ATOM 0 HD22 LEU A 52 -4.500 -15.561 -13.595 1.00 23.30 H new ATOM 0 HD23 LEU A 52 -5.821 -14.974 -14.632 1.00 23.30 H new ATOM 803 N PHE A 53 -9.091 -18.906 -13.488 1.00 14.05 N ATOM 804 CA PHE A 53 -9.458 -20.316 -13.554 1.00 52.23 C ATOM 805 C PHE A 53 -10.847 -20.488 -14.163 1.00 64.33 C ATOM 806 O PHE A 53 -11.820 -20.798 -13.476 1.00 2.34 O ATOM 807 CB PHE A 53 -9.420 -20.941 -12.158 1.00 61.24 C ATOM 808 CG PHE A 53 -8.036 -21.040 -11.583 1.00 41.44 C ATOM 809 CD1 PHE A 53 -7.493 -19.986 -10.866 1.00 41.32 C ATOM 810 CD2 PHE A 53 -7.278 -22.186 -11.760 1.00 30.05 C ATOM 811 CE1 PHE A 53 -6.219 -20.073 -10.337 1.00 33.42 C ATOM 812 CE2 PHE A 53 -6.004 -22.280 -11.232 1.00 2.30 C ATOM 813 CZ PHE A 53 -5.474 -21.222 -10.519 1.00 33.22 C ATOM 0 H PHE A 53 -9.714 -18.334 -12.918 1.00 14.05 H new ATOM 0 HA PHE A 53 -8.735 -20.825 -14.192 1.00 52.23 H new ATOM 0 HB2 PHE A 53 -10.042 -20.349 -11.487 1.00 61.24 H new ATOM 0 HB3 PHE A 53 -9.858 -21.938 -12.203 1.00 61.24 H new ATOM 0 HD1 PHE A 53 -8.072 -19.086 -10.719 1.00 41.32 H new ATOM 0 HD2 PHE A 53 -7.687 -23.016 -12.317 1.00 30.05 H new ATOM 0 HE1 PHE A 53 -5.806 -19.244 -9.782 1.00 33.42 H new ATOM 0 HE2 PHE A 53 -5.424 -23.179 -11.377 1.00 2.30 H new ATOM 0 HZ PHE A 53 -4.479 -21.293 -10.105 1.00 33.22 H new ATOM 823 N PRO A 54 -10.942 -20.283 -15.485 1.00 41.04 N ATOM 824 CA PRO A 54 -12.206 -20.410 -16.217 1.00 42.21 C ATOM 825 C PRO A 54 -12.680 -21.856 -16.309 1.00 30.24 C ATOM 826 O PRO A 54 -13.796 -22.126 -16.750 1.00 74.42 O ATOM 827 CB PRO A 54 -11.866 -19.870 -17.608 1.00 41.44 C ATOM 828 CG PRO A 54 -10.397 -20.078 -17.747 1.00 74.25 C ATOM 829 CD PRO A 54 -9.823 -19.912 -16.368 1.00 10.32 C ATOM 0 HA PRO A 54 -13.018 -19.876 -15.724 1.00 42.21 H new ATOM 0 HB2 PRO A 54 -12.416 -20.402 -18.384 1.00 41.44 H new ATOM 0 HB3 PRO A 54 -12.127 -18.815 -17.698 1.00 41.44 H new ATOM 0 HG2 PRO A 54 -10.179 -21.070 -18.144 1.00 74.25 H new ATOM 0 HG3 PRO A 54 -9.964 -19.356 -18.439 1.00 74.25 H new ATOM 0 HD2 PRO A 54 -8.958 -20.557 -16.213 1.00 10.32 H new ATOM 0 HD3 PRO A 54 -9.494 -18.888 -16.191 1.00 10.32 H new ATOM 837 N ALA A 55 -11.825 -22.782 -15.888 1.00 24.21 N ATOM 838 CA ALA A 55 -12.158 -24.201 -15.920 1.00 42.12 C ATOM 839 C ALA A 55 -13.444 -24.481 -15.150 1.00 3.54 C ATOM 840 O ALA A 55 -14.146 -25.454 -15.427 1.00 14.55 O ATOM 841 CB ALA A 55 -11.011 -25.025 -15.354 1.00 71.31 C ATOM 0 H ALA A 55 -10.896 -22.575 -15.521 1.00 24.21 H new ATOM 0 HA ALA A 55 -12.319 -24.488 -16.959 1.00 42.12 H new ATOM 0 HB1 ALA A 55 -11.273 -26.083 -15.384 1.00 71.31 H new ATOM 0 HB2 ALA A 55 -10.114 -24.857 -15.949 1.00 71.31 H new ATOM 0 HB3 ALA A 55 -10.823 -24.727 -14.323 1.00 71.31 H new ATOM 847 N LEU A 56 -13.746 -23.623 -14.181 1.00 40.34 N ATOM 848 CA LEU A 56 -14.948 -23.778 -13.370 1.00 11.14 C ATOM 849 C LEU A 56 -15.877 -22.580 -13.538 1.00 11.23 C ATOM 850 O LEU A 56 -15.680 -21.749 -14.425 1.00 13.14 O ATOM 851 CB LEU A 56 -14.574 -23.945 -11.896 1.00 1.32 C ATOM 852 CG LEU A 56 -13.979 -22.714 -11.211 1.00 0.21 C ATOM 853 CD1 LEU A 56 -14.414 -22.651 -9.755 1.00 0.50 C ATOM 854 CD2 LEU A 56 -12.461 -22.727 -11.316 1.00 1.43 C ATOM 0 H LEU A 56 -13.175 -22.813 -13.938 1.00 40.34 H new ATOM 0 HA LEU A 56 -15.473 -24.671 -13.709 1.00 11.14 H new ATOM 0 HB2 LEU A 56 -15.466 -24.246 -11.347 1.00 1.32 H new ATOM 0 HB3 LEU A 56 -13.859 -24.763 -11.814 1.00 1.32 H new ATOM 0 HG LEU A 56 -14.351 -21.824 -11.719 1.00 0.21 H new ATOM 0 HD11 LEU A 56 -13.981 -21.769 -9.284 1.00 0.50 H new ATOM 0 HD12 LEU A 56 -15.501 -22.594 -9.702 1.00 0.50 H new ATOM 0 HD13 LEU A 56 -14.072 -23.545 -9.234 1.00 0.50 H new ATOM 0 HD21 LEU A 56 -12.055 -21.844 -10.823 1.00 1.43 H new ATOM 0 HD22 LEU A 56 -12.071 -23.623 -10.834 1.00 1.43 H new ATOM 0 HD23 LEU A 56 -12.169 -22.723 -12.366 1.00 1.43 H new ATOM 866 N ARG A 57 -16.888 -22.497 -12.679 1.00 52.43 N ATOM 867 CA ARG A 57 -17.847 -21.400 -12.732 1.00 40.42 C ATOM 868 C ARG A 57 -17.181 -20.077 -12.363 1.00 70.23 C ATOM 869 O ARG A 57 -16.180 -20.036 -11.648 1.00 65.43 O ATOM 870 CB ARG A 57 -19.020 -21.673 -11.789 1.00 3.04 C ATOM 871 CG ARG A 57 -19.835 -22.898 -12.170 1.00 12.34 C ATOM 872 CD ARG A 57 -19.504 -24.086 -11.280 1.00 71.14 C ATOM 873 NE ARG A 57 -20.666 -24.942 -11.055 1.00 50.25 N ATOM 874 CZ ARG A 57 -21.606 -24.683 -10.153 1.00 51.45 C ATOM 875 NH1 ARG A 57 -21.522 -23.597 -9.396 1.00 62.44 N ATOM 876 NH2 ARG A 57 -22.634 -25.509 -10.008 1.00 25.53 N ATOM 0 H ARG A 57 -17.064 -23.176 -11.938 1.00 52.43 H new ATOM 0 HA ARG A 57 -18.221 -21.327 -13.753 1.00 40.42 H new ATOM 0 HB2 ARG A 57 -18.639 -21.801 -10.776 1.00 3.04 H new ATOM 0 HB3 ARG A 57 -19.675 -20.801 -11.775 1.00 3.04 H new ATOM 0 HG2 ARG A 57 -20.898 -22.668 -12.092 1.00 12.34 H new ATOM 0 HG3 ARG A 57 -19.641 -23.156 -13.211 1.00 12.34 H new ATOM 0 HD2 ARG A 57 -18.706 -24.671 -11.738 1.00 71.14 H new ATOM 0 HD3 ARG A 57 -19.127 -23.727 -10.322 1.00 71.14 H new ATOM 0 HE ARG A 57 -20.761 -25.785 -11.622 1.00 50.25 H new ATOM 0 HH11 ARG A 57 -20.734 -22.958 -9.506 1.00 62.44 H new ATOM 0 HH12 ARG A 57 -22.245 -23.400 -8.704 1.00 62.44 H new ATOM 0 HH21 ARG A 57 -22.703 -26.344 -10.590 1.00 25.53 H new ATOM 0 HH22 ARG A 57 -23.355 -25.309 -9.315 1.00 25.53 H new ATOM 890 N PRO A 58 -17.749 -18.969 -12.862 1.00 64.02 N ATOM 891 CA PRO A 58 -17.227 -17.625 -12.599 1.00 3.25 C ATOM 892 C PRO A 58 -17.434 -17.197 -11.150 1.00 5.53 C ATOM 893 O PRO A 58 -16.507 -16.721 -10.494 1.00 72.25 O ATOM 894 CB PRO A 58 -18.043 -16.736 -13.541 1.00 20.35 C ATOM 895 CG PRO A 58 -19.311 -17.485 -13.764 1.00 32.43 C ATOM 896 CD PRO A 58 -18.944 -18.943 -13.722 1.00 0.02 C ATOM 0 HA PRO A 58 -16.151 -17.567 -12.762 1.00 3.25 H new ATOM 0 HB2 PRO A 58 -18.233 -15.759 -13.097 1.00 20.35 H new ATOM 0 HB3 PRO A 58 -17.515 -16.563 -14.479 1.00 20.35 H new ATOM 0 HG2 PRO A 58 -20.046 -17.245 -12.996 1.00 32.43 H new ATOM 0 HG3 PRO A 58 -19.756 -17.222 -14.724 1.00 32.43 H new ATOM 0 HD2 PRO A 58 -19.750 -19.549 -13.308 1.00 0.02 H new ATOM 0 HD3 PRO A 58 -18.731 -19.333 -14.717 1.00 0.02 H new ATOM 904 N GLY A 59 -18.656 -17.369 -10.655 1.00 3.20 N ATOM 905 CA GLY A 59 -18.961 -16.995 -9.286 1.00 74.14 C ATOM 906 C GLY A 59 -19.669 -18.100 -8.528 1.00 72.30 C ATOM 907 O GLY A 59 -20.805 -17.931 -8.086 1.00 42.12 O ATOM 0 H GLY A 59 -19.440 -17.760 -11.177 1.00 3.20 H new ATOM 0 HA2 GLY A 59 -18.037 -16.738 -8.768 1.00 74.14 H new ATOM 0 HA3 GLY A 59 -19.585 -16.101 -9.287 1.00 74.14 H new ATOM 911 N GLY A 60 -18.997 -19.238 -8.378 1.00 1.31 N ATOM 912 CA GLY A 60 -19.585 -20.359 -7.669 1.00 72.10 C ATOM 913 C GLY A 60 -18.542 -21.333 -7.157 1.00 13.32 C ATOM 914 O GLY A 60 -18.536 -22.504 -7.537 1.00 42.30 O ATOM 0 H GLY A 60 -18.056 -19.403 -8.735 1.00 1.31 H new ATOM 0 HA2 GLY A 60 -20.173 -19.986 -6.830 1.00 72.10 H new ATOM 0 HA3 GLY A 60 -20.273 -20.884 -8.332 1.00 72.10 H new ATOM 918 N PHE A 61 -17.657 -20.848 -6.292 1.00 62.25 N ATOM 919 CA PHE A 61 -16.602 -21.683 -5.729 1.00 73.33 C ATOM 920 C PHE A 61 -16.236 -21.222 -4.322 1.00 12.52 C ATOM 921 O PHE A 61 -16.579 -20.112 -3.913 1.00 62.43 O ATOM 922 CB PHE A 61 -15.364 -21.652 -6.627 1.00 4.01 C ATOM 923 CG PHE A 61 -14.644 -20.333 -6.610 1.00 74.51 C ATOM 924 CD1 PHE A 61 -15.165 -19.237 -7.278 1.00 44.04 C ATOM 925 CD2 PHE A 61 -13.448 -20.191 -5.926 1.00 44.15 C ATOM 926 CE1 PHE A 61 -14.505 -18.022 -7.265 1.00 35.13 C ATOM 927 CE2 PHE A 61 -12.784 -18.979 -5.909 1.00 13.51 C ATOM 928 CZ PHE A 61 -13.313 -17.893 -6.580 1.00 32.12 C ATOM 0 H PHE A 61 -17.649 -19.882 -5.966 1.00 62.25 H new ATOM 0 HA PHE A 61 -16.974 -22.706 -5.671 1.00 73.33 H new ATOM 0 HB2 PHE A 61 -14.676 -22.436 -6.311 1.00 4.01 H new ATOM 0 HB3 PHE A 61 -15.661 -21.882 -7.650 1.00 4.01 H new ATOM 0 HD1 PHE A 61 -16.097 -19.333 -7.815 1.00 44.04 H new ATOM 0 HD2 PHE A 61 -13.030 -21.037 -5.400 1.00 44.15 H new ATOM 0 HE1 PHE A 61 -14.921 -17.175 -7.790 1.00 35.13 H new ATOM 0 HE2 PHE A 61 -11.852 -18.881 -5.372 1.00 13.51 H new ATOM 0 HZ PHE A 61 -12.795 -16.945 -6.569 1.00 32.12 H new ATOM 938 N GLN A 62 -15.539 -22.081 -3.586 1.00 62.11 N ATOM 939 CA GLN A 62 -15.127 -21.762 -2.224 1.00 73.02 C ATOM 940 C GLN A 62 -13.624 -21.954 -2.050 1.00 74.34 C ATOM 941 O GLN A 62 -13.098 -23.043 -2.277 1.00 62.12 O ATOM 942 CB GLN A 62 -15.884 -22.636 -1.222 1.00 54.43 C ATOM 943 CG GLN A 62 -16.911 -21.871 -0.403 1.00 11.14 C ATOM 944 CD GLN A 62 -16.331 -20.632 0.251 1.00 21.20 C ATOM 945 OE1 GLN A 62 -16.940 -19.562 0.230 1.00 63.10 O ATOM 946 NE2 GLN A 62 -15.147 -20.771 0.837 1.00 53.12 N ATOM 0 H GLN A 62 -15.248 -23.003 -3.910 1.00 62.11 H new ATOM 0 HA GLN A 62 -15.365 -20.715 -2.035 1.00 73.02 H new ATOM 0 HB2 GLN A 62 -16.386 -23.440 -1.760 1.00 54.43 H new ATOM 0 HB3 GLN A 62 -15.168 -23.104 -0.546 1.00 54.43 H new ATOM 0 HG2 GLN A 62 -17.742 -21.582 -1.047 1.00 11.14 H new ATOM 0 HG3 GLN A 62 -17.318 -22.527 0.367 1.00 11.14 H new ATOM 0 HE21 GLN A 62 -14.678 -21.677 0.830 1.00 53.12 H new ATOM 0 HE22 GLN A 62 -14.707 -19.972 1.294 1.00 53.12 H new ATOM 955 N ALA A 63 -12.939 -20.889 -1.647 1.00 33.30 N ATOM 956 CA ALA A 63 -11.497 -20.942 -1.441 1.00 53.53 C ATOM 957 C ALA A 63 -11.160 -21.442 -0.041 1.00 13.22 C ATOM 958 O ALA A 63 -11.637 -20.897 0.955 1.00 31.25 O ATOM 959 CB ALA A 63 -10.881 -19.571 -1.677 1.00 4.43 C ATOM 0 H ALA A 63 -13.359 -19.979 -1.457 1.00 33.30 H new ATOM 0 HA ALA A 63 -11.077 -21.646 -2.160 1.00 53.53 H new ATOM 0 HB1 ALA A 63 -9.804 -19.624 -1.520 1.00 4.43 H new ATOM 0 HB2 ALA A 63 -11.083 -19.252 -2.700 1.00 4.43 H new ATOM 0 HB3 ALA A 63 -11.314 -18.853 -0.981 1.00 4.43 H new ATOM 965 N HIS A 64 -10.336 -22.483 0.029 1.00 52.45 N ATOM 966 CA HIS A 64 -9.936 -23.057 1.308 1.00 5.42 C ATOM 967 C HIS A 64 -8.462 -22.780 1.590 1.00 2.01 C ATOM 968 O HIS A 64 -7.611 -22.944 0.715 1.00 1.15 O ATOM 969 CB HIS A 64 -10.195 -24.563 1.319 1.00 63.43 C ATOM 970 CG HIS A 64 -11.613 -24.929 1.005 1.00 22.43 C ATOM 971 ND1 HIS A 64 -12.174 -24.764 -0.243 1.00 75.01 N ATOM 972 CD2 HIS A 64 -12.584 -25.457 1.786 1.00 13.14 C ATOM 973 CE1 HIS A 64 -13.431 -25.172 -0.216 1.00 64.30 C ATOM 974 NE2 HIS A 64 -13.704 -25.598 1.004 1.00 11.00 N ATOM 0 H HIS A 64 -9.933 -22.946 -0.785 1.00 52.45 H new ATOM 0 HA HIS A 64 -10.532 -22.588 2.091 1.00 5.42 H new ATOM 0 HB2 HIS A 64 -9.536 -25.042 0.595 1.00 63.43 H new ATOM 0 HB3 HIS A 64 -9.934 -24.961 2.300 1.00 63.43 H new ATOM 0 HD1 HIS A 64 -11.694 -24.386 -1.060 1.00 75.01 H new ATOM 0 HD2 HIS A 64 -12.495 -25.719 2.830 1.00 13.14 H new ATOM 0 HE1 HIS A 64 -14.118 -25.159 -1.049 1.00 64.30 H new ATOM 982 N TYR A 65 -8.168 -22.359 2.815 1.00 22.43 N ATOM 983 CA TYR A 65 -6.798 -22.057 3.211 1.00 4.13 C ATOM 984 C TYR A 65 -6.355 -22.948 4.368 1.00 72.34 C ATOM 985 O TYR A 65 -7.110 -23.179 5.313 1.00 51.45 O ATOM 986 CB TYR A 65 -6.673 -20.586 3.610 1.00 2.54 C ATOM 987 CG TYR A 65 -7.205 -20.286 4.993 1.00 33.04 C ATOM 988 CD1 TYR A 65 -8.572 -20.238 5.238 1.00 51.21 C ATOM 989 CD2 TYR A 65 -6.341 -20.052 6.056 1.00 31.22 C ATOM 990 CE1 TYR A 65 -9.063 -19.964 6.500 1.00 42.32 C ATOM 991 CE2 TYR A 65 -6.823 -19.779 7.322 1.00 41.22 C ATOM 992 CZ TYR A 65 -8.184 -19.735 7.538 1.00 34.24 C ATOM 993 OH TYR A 65 -8.669 -19.463 8.797 1.00 32.32 O ATOM 0 H TYR A 65 -8.860 -22.219 3.551 1.00 22.43 H new ATOM 0 HA TYR A 65 -6.149 -22.252 2.357 1.00 4.13 H new ATOM 0 HB2 TYR A 65 -5.624 -20.293 3.562 1.00 2.54 H new ATOM 0 HB3 TYR A 65 -7.208 -19.975 2.884 1.00 2.54 H new ATOM 0 HD1 TYR A 65 -9.263 -20.418 4.428 1.00 51.21 H new ATOM 0 HD2 TYR A 65 -5.274 -20.084 5.890 1.00 31.22 H new ATOM 0 HE1 TYR A 65 -10.129 -19.929 6.673 1.00 42.32 H new ATOM 0 HE2 TYR A 65 -6.138 -19.601 8.137 1.00 41.22 H new ATOM 0 HH TYR A 65 -7.920 -19.327 9.414 1.00 32.32 H new ATOM 1003 N ARG A 66 -5.126 -23.447 4.285 1.00 0.32 N ATOM 1004 CA ARG A 66 -4.582 -24.313 5.323 1.00 23.45 C ATOM 1005 C ARG A 66 -4.257 -23.515 6.583 1.00 35.40 C ATOM 1006 O ARG A 66 -3.585 -22.486 6.522 1.00 73.51 O ATOM 1007 CB ARG A 66 -3.324 -25.022 4.818 1.00 22.42 C ATOM 1008 CG ARG A 66 -2.155 -24.084 4.566 1.00 13.31 C ATOM 1009 CD ARG A 66 -1.209 -24.040 5.756 1.00 70.23 C ATOM 1010 NE ARG A 66 -0.532 -22.751 5.870 1.00 73.11 N ATOM 1011 CZ ARG A 66 0.526 -22.543 6.645 1.00 43.11 C ATOM 1012 NH1 ARG A 66 1.027 -23.534 7.370 1.00 74.03 N ATOM 1013 NH2 ARG A 66 1.087 -21.341 6.695 1.00 21.44 N ATOM 0 H ARG A 66 -4.489 -23.266 3.510 1.00 0.32 H new ATOM 0 HA ARG A 66 -5.337 -25.059 5.571 1.00 23.45 H new ATOM 0 HB2 ARG A 66 -3.024 -25.775 5.547 1.00 22.42 H new ATOM 0 HB3 ARG A 66 -3.561 -25.550 3.894 1.00 22.42 H new ATOM 0 HG2 ARG A 66 -1.611 -24.409 3.679 1.00 13.31 H new ATOM 0 HG3 ARG A 66 -2.530 -23.081 4.360 1.00 13.31 H new ATOM 0 HD2 ARG A 66 -1.768 -24.238 6.671 1.00 70.23 H new ATOM 0 HD3 ARG A 66 -0.466 -24.832 5.658 1.00 70.23 H new ATOM 0 HE ARG A 66 -0.892 -21.968 5.324 1.00 73.11 H new ATOM 0 HH11 ARG A 66 0.600 -24.459 7.333 1.00 74.03 H new ATOM 0 HH12 ARG A 66 1.840 -23.371 7.964 1.00 74.03 H new ATOM 0 HH21 ARG A 66 0.705 -20.577 6.138 1.00 21.44 H new ATOM 0 HH22 ARG A 66 1.900 -21.182 7.291 1.00 21.44 H new ATOM 1027 N ALA A 67 -4.741 -23.997 7.723 1.00 23.44 N ATOM 1028 CA ALA A 67 -4.501 -23.330 8.997 1.00 33.31 C ATOM 1029 C ALA A 67 -3.353 -23.989 9.754 1.00 2.51 C ATOM 1030 O ALA A 67 -2.685 -24.881 9.233 1.00 42.55 O ATOM 1031 CB ALA A 67 -5.766 -23.338 9.843 1.00 52.44 C ATOM 0 H ALA A 67 -5.301 -24.847 7.790 1.00 23.44 H new ATOM 0 HA ALA A 67 -4.221 -22.297 8.791 1.00 33.31 H new ATOM 0 HB1 ALA A 67 -5.573 -22.837 10.791 1.00 52.44 H new ATOM 0 HB2 ALA A 67 -6.562 -22.816 9.312 1.00 52.44 H new ATOM 0 HB3 ALA A 67 -6.071 -24.367 10.032 1.00 52.44 H new ATOM 1037 N GLU A 68 -3.129 -23.542 10.986 1.00 11.21 N ATOM 1038 CA GLU A 68 -2.060 -24.088 11.813 1.00 5.43 C ATOM 1039 C GLU A 68 -2.198 -25.601 11.953 1.00 50.10 C ATOM 1040 O GLU A 68 -1.213 -26.308 12.163 1.00 65.34 O ATOM 1041 CB GLU A 68 -2.070 -23.434 13.197 1.00 53.34 C ATOM 1042 CG GLU A 68 -3.440 -23.422 13.854 1.00 71.50 C ATOM 1043 CD GLU A 68 -3.361 -23.355 15.367 1.00 42.23 C ATOM 1044 OE1 GLU A 68 -2.305 -22.937 15.887 1.00 41.24 O ATOM 1045 OE2 GLU A 68 -4.353 -23.720 16.030 1.00 14.24 O ATOM 0 H GLU A 68 -3.673 -22.804 11.433 1.00 11.21 H new ATOM 0 HA GLU A 68 -1.111 -23.871 11.323 1.00 5.43 H new ATOM 0 HB2 GLU A 68 -1.370 -23.963 13.844 1.00 53.34 H new ATOM 0 HB3 GLU A 68 -1.710 -22.409 13.108 1.00 53.34 H new ATOM 0 HG2 GLU A 68 -4.008 -22.568 13.485 1.00 71.50 H new ATOM 0 HG3 GLU A 68 -3.987 -24.319 13.562 1.00 71.50 H new ATOM 1052 N ARG A 69 -3.428 -26.090 11.836 1.00 53.22 N ATOM 1053 CA ARG A 69 -3.697 -27.518 11.951 1.00 62.24 C ATOM 1054 C ARG A 69 -3.446 -28.227 10.623 1.00 62.02 C ATOM 1055 O ARG A 69 -3.137 -29.418 10.592 1.00 54.44 O ATOM 1056 CB ARG A 69 -5.140 -27.753 12.401 1.00 3.24 C ATOM 1057 CG ARG A 69 -5.365 -27.493 13.882 1.00 52.11 C ATOM 1058 CD ARG A 69 -6.797 -27.804 14.290 1.00 5.05 C ATOM 1059 NE ARG A 69 -7.112 -27.285 15.619 1.00 42.34 N ATOM 1060 CZ ARG A 69 -8.204 -27.616 16.297 1.00 35.51 C ATOM 1061 NH1 ARG A 69 -9.082 -28.463 15.775 1.00 4.30 N ATOM 1062 NH2 ARG A 69 -8.421 -27.102 17.501 1.00 54.13 N ATOM 0 H ARG A 69 -4.254 -25.518 11.662 1.00 53.22 H new ATOM 0 HA ARG A 69 -3.019 -27.930 12.698 1.00 62.24 H new ATOM 0 HB2 ARG A 69 -5.802 -27.108 11.823 1.00 3.24 H new ATOM 0 HB3 ARG A 69 -5.420 -28.782 12.175 1.00 3.24 H new ATOM 0 HG2 ARG A 69 -4.678 -28.103 14.468 1.00 52.11 H new ATOM 0 HG3 ARG A 69 -5.139 -26.451 14.108 1.00 52.11 H new ATOM 0 HD2 ARG A 69 -7.483 -27.374 13.561 1.00 5.05 H new ATOM 0 HD3 ARG A 69 -6.952 -28.883 14.276 1.00 5.05 H new ATOM 0 HE ARG A 69 -6.457 -26.632 16.049 1.00 42.34 H new ATOM 0 HH11 ARG A 69 -8.919 -28.862 14.850 1.00 4.30 H new ATOM 0 HH12 ARG A 69 -9.920 -28.716 16.298 1.00 4.30 H new ATOM 0 HH21 ARG A 69 -7.748 -26.452 17.907 1.00 54.13 H new ATOM 0 HH22 ARG A 69 -9.261 -27.357 18.021 1.00 54.13 H new ATOM 1076 N GLY A 70 -3.581 -27.486 9.527 1.00 0.11 N ATOM 1077 CA GLY A 70 -3.366 -28.060 8.212 1.00 71.31 C ATOM 1078 C GLY A 70 -4.664 -28.323 7.475 1.00 73.31 C ATOM 1079 O GLY A 70 -4.690 -28.365 6.245 1.00 52.33 O ATOM 0 H GLY A 70 -3.835 -26.498 9.527 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -2.747 -27.385 7.621 1.00 71.31 H new ATOM 0 HA3 GLY A 70 -2.813 -28.994 8.313 1.00 71.31 H new ATOM 1083 N ASP A 71 -5.744 -28.503 8.228 1.00 61.14 N ATOM 1084 CA ASP A 71 -7.052 -28.764 7.638 1.00 30.43 C ATOM 1085 C ASP A 71 -7.434 -27.664 6.654 1.00 50.35 C ATOM 1086 O ASP A 71 -6.797 -26.610 6.606 1.00 73.34 O ATOM 1087 CB ASP A 71 -8.115 -28.878 8.733 1.00 64.14 C ATOM 1088 CG ASP A 71 -8.069 -30.214 9.447 1.00 23.25 C ATOM 1089 OD1 ASP A 71 -7.303 -31.097 9.007 1.00 71.30 O ATOM 1090 OD2 ASP A 71 -8.798 -30.376 10.448 1.00 23.51 O ATOM 0 H ASP A 71 -5.739 -28.473 9.248 1.00 61.14 H new ATOM 0 HA ASP A 71 -6.997 -29.708 7.096 1.00 30.43 H new ATOM 0 HB2 ASP A 71 -7.973 -28.077 9.458 1.00 64.14 H new ATOM 0 HB3 ASP A 71 -9.102 -28.738 8.293 1.00 64.14 H new ATOM 1095 N LEU A 72 -8.476 -27.915 5.869 1.00 40.23 N ATOM 1096 CA LEU A 72 -8.943 -26.946 4.883 1.00 2.44 C ATOM 1097 C LEU A 72 -10.123 -26.145 5.424 1.00 73.01 C ATOM 1098 O LEU A 72 -11.164 -26.707 5.764 1.00 34.13 O ATOM 1099 CB LEU A 72 -9.344 -27.657 3.590 1.00 43.43 C ATOM 1100 CG LEU A 72 -8.205 -27.982 2.622 1.00 33.12 C ATOM 1101 CD1 LEU A 72 -8.735 -28.725 1.406 1.00 62.43 C ATOM 1102 CD2 LEU A 72 -7.484 -26.710 2.200 1.00 30.32 C ATOM 0 H LEU A 72 -9.014 -28.781 5.896 1.00 40.23 H new ATOM 0 HA LEU A 72 -8.126 -26.256 4.672 1.00 2.44 H new ATOM 0 HB2 LEU A 72 -9.848 -28.587 3.852 1.00 43.43 H new ATOM 0 HB3 LEU A 72 -10.072 -27.036 3.068 1.00 43.43 H new ATOM 0 HG LEU A 72 -7.491 -28.627 3.134 1.00 33.12 H new ATOM 0 HD11 LEU A 72 -7.911 -28.948 0.728 1.00 62.43 H new ATOM 0 HD12 LEU A 72 -9.205 -29.656 1.724 1.00 62.43 H new ATOM 0 HD13 LEU A 72 -9.470 -28.105 0.892 1.00 62.43 H new ATOM 0 HD21 LEU A 72 -6.677 -26.961 1.512 1.00 30.32 H new ATOM 0 HD22 LEU A 72 -8.187 -26.040 1.706 1.00 30.32 H new ATOM 0 HD23 LEU A 72 -7.070 -26.217 3.080 1.00 30.32 H new ATOM 1114 N VAL A 73 -9.955 -24.829 5.498 1.00 3.42 N ATOM 1115 CA VAL A 73 -11.007 -23.950 5.994 1.00 52.31 C ATOM 1116 C VAL A 73 -11.530 -23.041 4.888 1.00 55.34 C ATOM 1117 O VAL A 73 -10.870 -22.079 4.497 1.00 53.44 O ATOM 1118 CB VAL A 73 -10.508 -23.081 7.164 1.00 33.20 C ATOM 1119 CG1 VAL A 73 -11.618 -22.168 7.662 1.00 0.13 C ATOM 1120 CG2 VAL A 73 -9.981 -23.957 8.291 1.00 75.35 C ATOM 0 H VAL A 73 -9.100 -24.348 5.221 1.00 3.42 H new ATOM 0 HA VAL A 73 -11.815 -24.591 6.346 1.00 52.31 H new ATOM 0 HB VAL A 73 -9.689 -22.456 6.807 1.00 33.20 H new ATOM 0 HG11 VAL A 73 -11.247 -21.562 8.488 1.00 0.13 H new ATOM 0 HG12 VAL A 73 -11.944 -21.516 6.852 1.00 0.13 H new ATOM 0 HG13 VAL A 73 -12.459 -22.771 8.003 1.00 0.13 H new ATOM 0 HG21 VAL A 73 -9.633 -23.327 9.109 1.00 75.35 H new ATOM 0 HG22 VAL A 73 -10.778 -24.608 8.649 1.00 75.35 H new ATOM 0 HG23 VAL A 73 -9.154 -24.564 7.923 1.00 75.35 H new ATOM 1130 N ALA A 74 -12.722 -23.352 4.387 1.00 25.31 N ATOM 1131 CA ALA A 74 -13.335 -22.562 3.327 1.00 33.02 C ATOM 1132 C ALA A 74 -13.620 -21.140 3.798 1.00 52.23 C ATOM 1133 O ALA A 74 -14.580 -20.898 4.530 1.00 40.10 O ATOM 1134 CB ALA A 74 -14.616 -23.228 2.847 1.00 54.31 C ATOM 0 H ALA A 74 -13.282 -24.146 4.699 1.00 25.31 H new ATOM 0 HA ALA A 74 -12.633 -22.507 2.495 1.00 33.02 H new ATOM 0 HB1 ALA A 74 -15.064 -22.627 2.055 1.00 54.31 H new ATOM 0 HB2 ALA A 74 -14.387 -24.222 2.463 1.00 54.31 H new ATOM 0 HB3 ALA A 74 -15.316 -23.312 3.678 1.00 54.31 H new ATOM 1140 N PHE A 75 -12.780 -20.202 3.373 1.00 11.42 N ATOM 1141 CA PHE A 75 -12.941 -18.803 3.753 1.00 50.12 C ATOM 1142 C PHE A 75 -13.753 -18.045 2.706 1.00 24.11 C ATOM 1143 O PHE A 75 -13.796 -18.433 1.539 1.00 41.34 O ATOM 1144 CB PHE A 75 -11.573 -18.140 3.932 1.00 74.42 C ATOM 1145 CG PHE A 75 -10.865 -17.869 2.636 1.00 43.32 C ATOM 1146 CD1 PHE A 75 -11.082 -16.687 1.946 1.00 14.45 C ATOM 1147 CD2 PHE A 75 -9.980 -18.795 2.107 1.00 33.00 C ATOM 1148 CE1 PHE A 75 -10.432 -16.435 0.753 1.00 11.43 C ATOM 1149 CE2 PHE A 75 -9.327 -18.548 0.914 1.00 23.33 C ATOM 1150 CZ PHE A 75 -9.552 -17.366 0.237 1.00 13.02 C ATOM 0 H PHE A 75 -11.981 -20.385 2.766 1.00 11.42 H new ATOM 0 HA PHE A 75 -13.480 -18.769 4.700 1.00 50.12 H new ATOM 0 HB2 PHE A 75 -11.701 -17.201 4.470 1.00 74.42 H new ATOM 0 HB3 PHE A 75 -10.946 -18.780 4.552 1.00 74.42 H new ATOM 0 HD1 PHE A 75 -11.767 -15.954 2.345 1.00 14.45 H new ATOM 0 HD2 PHE A 75 -9.798 -19.721 2.633 1.00 33.00 H new ATOM 0 HE1 PHE A 75 -10.612 -15.511 0.224 1.00 11.43 H new ATOM 0 HE2 PHE A 75 -8.641 -19.279 0.512 1.00 23.33 H new ATOM 0 HZ PHE A 75 -9.041 -17.170 -0.694 1.00 13.02 H new ATOM 1160 N SER A 76 -14.395 -16.963 3.134 1.00 41.24 N ATOM 1161 CA SER A 76 -15.209 -16.152 2.235 1.00 30.44 C ATOM 1162 C SER A 76 -15.559 -14.814 2.878 1.00 5.42 C ATOM 1163 O SER A 76 -16.666 -14.303 2.711 1.00 1.33 O ATOM 1164 CB SER A 76 -16.490 -16.900 1.859 1.00 24.23 C ATOM 1165 OG SER A 76 -17.474 -16.766 2.870 1.00 61.41 O ATOM 0 H SER A 76 -14.368 -16.627 4.097 1.00 41.24 H new ATOM 0 HA SER A 76 -14.629 -15.961 1.332 1.00 30.44 H new ATOM 0 HB2 SER A 76 -16.877 -16.513 0.916 1.00 24.23 H new ATOM 0 HB3 SER A 76 -16.266 -17.955 1.703 1.00 24.23 H new ATOM 0 HG SER A 76 -17.749 -15.828 2.937 1.00 61.41 H new ATOM 1171 N SER A 77 -14.605 -14.251 3.614 1.00 14.11 N ATOM 1172 CA SER A 77 -14.812 -12.973 4.286 1.00 73.40 C ATOM 1173 C SER A 77 -13.481 -12.279 4.554 1.00 2.33 C ATOM 1174 O SER A 77 -12.467 -12.931 4.805 1.00 12.12 O ATOM 1175 CB SER A 77 -15.566 -13.181 5.601 1.00 53.21 C ATOM 1176 OG SER A 77 -15.895 -11.940 6.201 1.00 33.24 O ATOM 0 H SER A 77 -13.682 -14.660 3.760 1.00 14.11 H new ATOM 0 HA SER A 77 -15.408 -12.338 3.631 1.00 73.40 H new ATOM 0 HB2 SER A 77 -16.476 -13.752 5.416 1.00 53.21 H new ATOM 0 HB3 SER A 77 -14.955 -13.769 6.286 1.00 53.21 H new ATOM 0 HG SER A 77 -16.335 -12.099 7.062 1.00 33.24 H new ATOM 1182 N ASP A 78 -13.492 -10.951 4.499 1.00 23.52 N ATOM 1183 CA ASP A 78 -12.286 -10.166 4.737 1.00 21.41 C ATOM 1184 C ASP A 78 -11.649 -10.539 6.072 1.00 34.14 C ATOM 1185 O ASP A 78 -10.427 -10.610 6.189 1.00 64.31 O ATOM 1186 CB ASP A 78 -12.611 -8.672 4.712 1.00 34.25 C ATOM 1187 CG ASP A 78 -13.608 -8.279 5.785 1.00 21.03 C ATOM 1188 OD1 ASP A 78 -14.717 -8.853 5.804 1.00 64.13 O ATOM 1189 OD2 ASP A 78 -13.279 -7.397 6.606 1.00 55.51 O ATOM 0 H ASP A 78 -14.322 -10.396 4.292 1.00 23.52 H new ATOM 0 HA ASP A 78 -11.575 -10.388 3.941 1.00 21.41 H new ATOM 0 HB2 ASP A 78 -11.692 -8.101 4.847 1.00 34.25 H new ATOM 0 HB3 ASP A 78 -13.011 -8.406 3.733 1.00 34.25 H new ATOM 1194 N GLU A 79 -12.488 -10.775 7.077 1.00 40.33 N ATOM 1195 CA GLU A 79 -12.006 -11.138 8.404 1.00 0.01 C ATOM 1196 C GLU A 79 -11.230 -12.451 8.361 1.00 72.43 C ATOM 1197 O GLU A 79 -10.357 -12.696 9.193 1.00 51.54 O ATOM 1198 CB GLU A 79 -13.177 -11.257 9.381 1.00 13.04 C ATOM 1199 CG GLU A 79 -14.141 -12.381 9.042 1.00 34.20 C ATOM 1200 CD GLU A 79 -15.421 -12.317 9.853 1.00 54.35 C ATOM 1201 OE1 GLU A 79 -15.377 -11.802 10.990 1.00 54.04 O ATOM 1202 OE2 GLU A 79 -16.466 -12.781 9.351 1.00 52.25 O ATOM 0 H GLU A 79 -13.503 -10.721 6.997 1.00 40.33 H new ATOM 0 HA GLU A 79 -11.335 -10.350 8.747 1.00 0.01 H new ATOM 0 HB2 GLU A 79 -12.786 -11.416 10.386 1.00 13.04 H new ATOM 0 HB3 GLU A 79 -13.723 -10.314 9.397 1.00 13.04 H new ATOM 0 HG2 GLU A 79 -14.385 -12.337 7.981 1.00 34.20 H new ATOM 0 HG3 GLU A 79 -13.652 -13.339 9.217 1.00 34.20 H new ATOM 1209 N GLU A 80 -11.557 -13.293 7.385 1.00 42.23 N ATOM 1210 CA GLU A 80 -10.892 -14.582 7.234 1.00 43.32 C ATOM 1211 C GLU A 80 -9.546 -14.421 6.533 1.00 3.41 C ATOM 1212 O GLU A 80 -8.609 -15.181 6.780 1.00 30.45 O ATOM 1213 CB GLU A 80 -11.777 -15.548 6.445 1.00 73.32 C ATOM 1214 CG GLU A 80 -13.037 -15.964 7.187 1.00 44.33 C ATOM 1215 CD GLU A 80 -12.757 -16.398 8.612 1.00 32.53 C ATOM 1216 OE1 GLU A 80 -11.681 -16.985 8.853 1.00 72.22 O ATOM 1217 OE2 GLU A 80 -13.614 -16.153 9.487 1.00 43.51 O ATOM 0 H GLU A 80 -12.278 -13.106 6.688 1.00 42.23 H new ATOM 0 HA GLU A 80 -10.718 -14.991 8.229 1.00 43.32 H new ATOM 0 HB2 GLU A 80 -12.059 -15.081 5.501 1.00 73.32 H new ATOM 0 HB3 GLU A 80 -11.199 -16.439 6.200 1.00 73.32 H new ATOM 0 HG2 GLU A 80 -13.741 -15.132 7.196 1.00 44.33 H new ATOM 0 HG3 GLU A 80 -13.518 -16.782 6.650 1.00 44.33 H new ATOM 1224 N LEU A 81 -9.457 -13.426 5.657 1.00 2.23 N ATOM 1225 CA LEU A 81 -8.226 -13.164 4.919 1.00 10.22 C ATOM 1226 C LEU A 81 -7.140 -12.627 5.845 1.00 4.53 C ATOM 1227 O LEU A 81 -6.023 -13.146 5.878 1.00 13.43 O ATOM 1228 CB LEU A 81 -8.488 -12.167 3.789 1.00 11.53 C ATOM 1229 CG LEU A 81 -9.027 -12.756 2.485 1.00 23.03 C ATOM 1230 CD1 LEU A 81 -8.067 -13.799 1.935 1.00 71.44 C ATOM 1231 CD2 LEU A 81 -10.406 -13.360 2.703 1.00 55.11 C ATOM 0 H LEU A 81 -10.222 -12.788 5.440 1.00 2.23 H new ATOM 0 HA LEU A 81 -7.880 -14.105 4.492 1.00 10.22 H new ATOM 0 HB2 LEU A 81 -9.197 -11.421 4.147 1.00 11.53 H new ATOM 0 HB3 LEU A 81 -7.557 -11.644 3.570 1.00 11.53 H new ATOM 0 HG LEU A 81 -9.116 -11.952 1.754 1.00 23.03 H new ATOM 0 HD11 LEU A 81 -8.466 -14.208 1.007 1.00 71.44 H new ATOM 0 HD12 LEU A 81 -7.099 -13.336 1.741 1.00 71.44 H new ATOM 0 HD13 LEU A 81 -7.946 -14.602 2.662 1.00 71.44 H new ATOM 0 HD21 LEU A 81 -10.774 -13.774 1.765 1.00 55.11 H new ATOM 0 HD22 LEU A 81 -10.343 -14.152 3.449 1.00 55.11 H new ATOM 0 HD23 LEU A 81 -11.091 -12.587 3.052 1.00 55.11 H new ATOM 1243 N THR A 82 -7.474 -11.584 6.599 1.00 11.23 N ATOM 1244 CA THR A 82 -6.528 -10.977 7.527 1.00 53.40 C ATOM 1245 C THR A 82 -5.914 -12.023 8.449 1.00 21.24 C ATOM 1246 O THR A 82 -4.783 -11.871 8.910 1.00 41.12 O ATOM 1247 CB THR A 82 -7.201 -9.887 8.382 1.00 13.43 C ATOM 1248 OG1 THR A 82 -6.205 -9.056 8.990 1.00 35.31 O ATOM 1249 CG2 THR A 82 -8.077 -10.508 9.460 1.00 71.23 C ATOM 0 H THR A 82 -8.393 -11.142 6.585 1.00 11.23 H new ATOM 0 HA THR A 82 -5.742 -10.522 6.924 1.00 53.40 H new ATOM 0 HB THR A 82 -7.830 -9.282 7.729 1.00 13.43 H new ATOM 0 HG1 THR A 82 -6.641 -8.365 9.531 1.00 35.31 H new ATOM 0 HG21 THR A 82 -8.542 -9.719 10.051 1.00 71.23 H new ATOM 0 HG22 THR A 82 -8.852 -11.116 8.993 1.00 71.23 H new ATOM 0 HG23 THR A 82 -7.466 -11.135 10.109 1.00 71.23 H new ATOM 1257 N MET A 83 -6.666 -13.086 8.715 1.00 73.24 N ATOM 1258 CA MET A 83 -6.193 -14.159 9.581 1.00 35.53 C ATOM 1259 C MET A 83 -5.322 -15.142 8.805 1.00 55.35 C ATOM 1260 O MET A 83 -4.282 -15.582 9.291 1.00 5.24 O ATOM 1261 CB MET A 83 -7.378 -14.896 10.209 1.00 72.40 C ATOM 1262 CG MET A 83 -7.097 -15.418 11.609 1.00 62.33 C ATOM 1263 SD MET A 83 -8.431 -16.450 12.247 1.00 51.33 S ATOM 1264 CE MET A 83 -9.446 -15.222 13.065 1.00 12.04 C ATOM 0 H MET A 83 -7.605 -13.227 8.343 1.00 73.24 H new ATOM 0 HA MET A 83 -5.590 -13.713 10.372 1.00 35.53 H new ATOM 0 HB2 MET A 83 -8.235 -14.224 10.246 1.00 72.40 H new ATOM 0 HB3 MET A 83 -7.656 -15.732 9.568 1.00 72.40 H new ATOM 0 HG2 MET A 83 -6.171 -15.993 11.599 1.00 62.33 H new ATOM 0 HG3 MET A 83 -6.941 -14.575 12.282 1.00 62.33 H new ATOM 0 HE1 MET A 83 -10.314 -15.706 13.511 1.00 12.04 H new ATOM 0 HE2 MET A 83 -8.864 -14.730 13.845 1.00 12.04 H new ATOM 0 HE3 MET A 83 -9.778 -14.481 12.338 1.00 12.04 H new ATOM 1274 N ALA A 84 -5.756 -15.481 7.595 1.00 64.22 N ATOM 1275 CA ALA A 84 -5.014 -16.410 6.751 1.00 52.13 C ATOM 1276 C ALA A 84 -3.602 -15.901 6.484 1.00 63.05 C ATOM 1277 O ALA A 84 -2.629 -16.642 6.621 1.00 2.21 O ATOM 1278 CB ALA A 84 -5.753 -16.636 5.440 1.00 64.22 C ATOM 0 H ALA A 84 -6.617 -15.127 7.178 1.00 64.22 H new ATOM 0 HA ALA A 84 -4.935 -17.360 7.280 1.00 52.13 H new ATOM 0 HB1 ALA A 84 -5.188 -17.332 4.819 1.00 64.22 H new ATOM 0 HB2 ALA A 84 -6.739 -17.052 5.645 1.00 64.22 H new ATOM 0 HB3 ALA A 84 -5.861 -15.687 4.915 1.00 64.22 H new ATOM 1284 N MET A 85 -3.497 -14.633 6.100 1.00 13.23 N ATOM 1285 CA MET A 85 -2.203 -14.025 5.814 1.00 23.43 C ATOM 1286 C MET A 85 -1.293 -14.084 7.037 1.00 2.31 C ATOM 1287 O MET A 85 -0.069 -14.021 6.916 1.00 55.52 O ATOM 1288 CB MET A 85 -2.384 -12.573 5.368 1.00 71.42 C ATOM 1289 CG MET A 85 -2.958 -12.436 3.967 1.00 13.51 C ATOM 1290 SD MET A 85 -1.724 -12.707 2.681 1.00 75.23 S ATOM 1291 CE MET A 85 -2.690 -12.374 1.209 1.00 33.25 C ATOM 0 H MET A 85 -4.293 -14.007 5.980 1.00 13.23 H new ATOM 0 HA MET A 85 -1.735 -14.589 5.007 1.00 23.43 H new ATOM 0 HB2 MET A 85 -3.042 -12.064 6.073 1.00 71.42 H new ATOM 0 HB3 MET A 85 -1.420 -12.066 5.408 1.00 71.42 H new ATOM 0 HG2 MET A 85 -3.772 -13.150 3.841 1.00 13.51 H new ATOM 0 HG3 MET A 85 -3.386 -11.441 3.850 1.00 13.51 H new ATOM 0 HE1 MET A 85 -2.063 -12.500 0.326 1.00 33.25 H new ATOM 0 HE2 MET A 85 -3.530 -13.067 1.160 1.00 33.25 H new ATOM 0 HE3 MET A 85 -3.066 -11.351 1.244 1.00 33.25 H new ATOM 1301 N SER A 86 -1.898 -14.204 8.214 1.00 20.24 N ATOM 1302 CA SER A 86 -1.142 -14.267 9.460 1.00 41.33 C ATOM 1303 C SER A 86 -0.315 -15.547 9.530 1.00 73.14 C ATOM 1304 O SER A 86 0.689 -15.613 10.239 1.00 31.10 O ATOM 1305 CB SER A 86 -2.088 -14.191 10.660 1.00 42.33 C ATOM 1306 OG SER A 86 -1.388 -13.831 11.839 1.00 73.34 O ATOM 0 H SER A 86 -2.910 -14.260 8.331 1.00 20.24 H new ATOM 0 HA SER A 86 -0.463 -13.415 9.487 1.00 41.33 H new ATOM 0 HB2 SER A 86 -2.873 -13.461 10.462 1.00 42.33 H new ATOM 0 HB3 SER A 86 -2.577 -15.155 10.803 1.00 42.33 H new ATOM 0 HG SER A 86 -2.015 -13.788 12.591 1.00 73.34 H new ATOM 1312 N TYR A 87 -0.745 -16.562 8.789 1.00 71.34 N ATOM 1313 CA TYR A 87 -0.047 -17.842 8.767 1.00 34.44 C ATOM 1314 C TYR A 87 1.026 -17.860 7.684 1.00 42.24 C ATOM 1315 O TYR A 87 1.999 -18.609 7.769 1.00 5.21 O ATOM 1316 CB TYR A 87 -1.039 -18.984 8.537 1.00 51.21 C ATOM 1317 CG TYR A 87 -2.100 -19.090 9.609 1.00 22.32 C ATOM 1318 CD1 TYR A 87 -3.249 -18.311 9.557 1.00 71.13 C ATOM 1319 CD2 TYR A 87 -1.952 -19.969 10.675 1.00 34.02 C ATOM 1320 CE1 TYR A 87 -4.221 -18.404 10.534 1.00 24.35 C ATOM 1321 CE2 TYR A 87 -2.919 -20.070 11.657 1.00 74.04 C ATOM 1322 CZ TYR A 87 -4.051 -19.286 11.582 1.00 54.50 C ATOM 1323 OH TYR A 87 -5.016 -19.382 12.558 1.00 32.14 O ATOM 0 H TYR A 87 -1.574 -16.523 8.196 1.00 71.34 H new ATOM 0 HA TYR A 87 0.437 -17.979 9.734 1.00 34.44 H new ATOM 0 HB2 TYR A 87 -1.524 -18.844 7.571 1.00 51.21 H new ATOM 0 HB3 TYR A 87 -0.491 -19.925 8.486 1.00 51.21 H new ATOM 0 HD1 TYR A 87 -3.385 -17.620 8.738 1.00 71.13 H new ATOM 0 HD2 TYR A 87 -1.066 -20.584 10.737 1.00 34.02 H new ATOM 0 HE1 TYR A 87 -5.108 -17.791 10.478 1.00 24.35 H new ATOM 0 HE2 TYR A 87 -2.789 -20.759 12.478 1.00 74.04 H new ATOM 0 HH TYR A 87 -4.744 -20.049 13.223 1.00 32.14 H new ATOM 1333 N VAL A 88 0.842 -17.028 6.664 1.00 55.35 N ATOM 1334 CA VAL A 88 1.794 -16.945 5.563 1.00 52.34 C ATOM 1335 C VAL A 88 3.046 -16.179 5.975 1.00 14.44 C ATOM 1336 O VAL A 88 3.102 -14.954 5.866 1.00 40.43 O ATOM 1337 CB VAL A 88 1.170 -16.262 4.331 1.00 11.51 C ATOM 1338 CG1 VAL A 88 2.152 -16.254 3.170 1.00 71.45 C ATOM 1339 CG2 VAL A 88 -0.127 -16.953 3.939 1.00 13.41 C ATOM 0 H VAL A 88 0.042 -16.401 6.577 1.00 55.35 H new ATOM 0 HA VAL A 88 2.066 -17.968 5.303 1.00 52.34 H new ATOM 0 HB VAL A 88 0.940 -15.228 4.588 1.00 11.51 H new ATOM 0 HG11 VAL A 88 1.694 -15.768 2.309 1.00 71.45 H new ATOM 0 HG12 VAL A 88 3.051 -15.710 3.458 1.00 71.45 H new ATOM 0 HG13 VAL A 88 2.416 -17.279 2.910 1.00 71.45 H new ATOM 0 HG21 VAL A 88 -0.554 -16.458 3.067 1.00 13.41 H new ATOM 0 HG22 VAL A 88 0.075 -17.997 3.700 1.00 13.41 H new ATOM 0 HG23 VAL A 88 -0.832 -16.900 4.768 1.00 13.41 H new ATOM 1349 N LYS A 89 4.049 -16.908 6.451 1.00 62.35 N ATOM 1350 CA LYS A 89 5.303 -16.299 6.879 1.00 72.22 C ATOM 1351 C LYS A 89 6.104 -15.803 5.680 1.00 65.24 C ATOM 1352 O LYS A 89 6.941 -14.909 5.807 1.00 11.11 O ATOM 1353 CB LYS A 89 6.134 -17.303 7.681 1.00 34.31 C ATOM 1354 CG LYS A 89 5.806 -17.316 9.164 1.00 23.22 C ATOM 1355 CD LYS A 89 6.379 -16.100 9.872 1.00 24.03 C ATOM 1356 CE LYS A 89 6.279 -16.236 11.384 1.00 71.41 C ATOM 1357 NZ LYS A 89 7.367 -17.089 11.937 1.00 31.44 N ATOM 0 H LYS A 89 4.018 -17.923 6.550 1.00 62.35 H new ATOM 0 HA LYS A 89 5.065 -15.445 7.513 1.00 72.22 H new ATOM 0 HB2 LYS A 89 5.975 -18.301 7.273 1.00 34.31 H new ATOM 0 HB3 LYS A 89 7.191 -17.071 7.553 1.00 34.31 H new ATOM 0 HG2 LYS A 89 4.725 -17.340 9.298 1.00 23.22 H new ATOM 0 HG3 LYS A 89 6.204 -18.224 9.618 1.00 23.22 H new ATOM 0 HD2 LYS A 89 7.423 -15.969 9.586 1.00 24.03 H new ATOM 0 HD3 LYS A 89 5.846 -15.206 9.550 1.00 24.03 H new ATOM 0 HE2 LYS A 89 6.324 -15.248 11.841 1.00 71.41 H new ATOM 0 HE3 LYS A 89 5.312 -16.665 11.647 1.00 71.41 H new ATOM 0 HZ1 LYS A 89 7.264 -17.157 12.970 1.00 31.44 H new ATOM 0 HZ2 LYS A 89 7.309 -18.040 11.520 1.00 31.44 H new ATOM 0 HZ3 LYS A 89 8.289 -16.667 11.708 1.00 31.44 H new ATOM 1371 N ASP A 90 5.843 -16.388 4.516 1.00 35.21 N ATOM 1372 CA ASP A 90 6.538 -16.004 3.293 1.00 10.33 C ATOM 1373 C ASP A 90 5.757 -14.932 2.538 1.00 25.32 C ATOM 1374 O ASP A 90 4.800 -14.363 3.062 1.00 11.21 O ATOM 1375 CB ASP A 90 6.751 -17.224 2.397 1.00 74.53 C ATOM 1376 CG ASP A 90 7.281 -18.420 3.163 1.00 64.11 C ATOM 1377 OD1 ASP A 90 8.101 -18.219 4.084 1.00 41.03 O ATOM 1378 OD2 ASP A 90 6.876 -19.557 2.842 1.00 5.15 O ATOM 0 H ASP A 90 5.155 -17.131 4.394 1.00 35.21 H new ATOM 0 HA ASP A 90 7.509 -15.593 3.570 1.00 10.33 H new ATOM 0 HB2 ASP A 90 5.807 -17.490 1.921 1.00 74.53 H new ATOM 0 HB3 ASP A 90 7.449 -16.968 1.600 1.00 74.53 H new ATOM 1383 N ASP A 91 6.174 -14.662 1.306 1.00 71.40 N ATOM 1384 CA ASP A 91 5.514 -13.659 0.478 1.00 20.24 C ATOM 1385 C ASP A 91 4.630 -14.320 -0.575 1.00 1.30 C ATOM 1386 O ASP A 91 4.335 -13.726 -1.613 1.00 3.24 O ATOM 1387 CB ASP A 91 6.552 -12.762 -0.198 1.00 71.42 C ATOM 1388 CG ASP A 91 7.668 -13.557 -0.848 1.00 54.24 C ATOM 1389 OD1 ASP A 91 7.360 -14.488 -1.621 1.00 53.13 O ATOM 1390 OD2 ASP A 91 8.849 -13.248 -0.584 1.00 15.02 O ATOM 0 H ASP A 91 6.966 -15.124 0.859 1.00 71.40 H new ATOM 0 HA ASP A 91 4.883 -13.048 1.123 1.00 20.24 H new ATOM 0 HB2 ASP A 91 6.061 -12.147 -0.952 1.00 71.42 H new ATOM 0 HB3 ASP A 91 6.977 -12.082 0.541 1.00 71.42 H new ATOM 1395 N ILE A 92 4.212 -15.551 -0.302 1.00 11.25 N ATOM 1396 CA ILE A 92 3.362 -16.291 -1.226 1.00 21.33 C ATOM 1397 C ILE A 92 2.090 -16.773 -0.537 1.00 32.12 C ATOM 1398 O ILE A 92 2.144 -17.410 0.516 1.00 52.34 O ATOM 1399 CB ILE A 92 4.101 -17.504 -1.821 1.00 71.31 C ATOM 1400 CG1 ILE A 92 5.366 -17.050 -2.552 1.00 24.24 C ATOM 1401 CG2 ILE A 92 3.186 -18.272 -2.763 1.00 54.13 C ATOM 1402 CD1 ILE A 92 6.165 -18.191 -3.143 1.00 2.35 C ATOM 0 H ILE A 92 4.448 -16.057 0.552 1.00 11.25 H new ATOM 0 HA ILE A 92 3.099 -15.605 -2.031 1.00 21.33 H new ATOM 0 HB ILE A 92 4.392 -18.168 -1.007 1.00 71.31 H new ATOM 0 HG12 ILE A 92 5.088 -16.361 -3.349 1.00 24.24 H new ATOM 0 HG13 ILE A 92 5.998 -16.496 -1.858 1.00 24.24 H new ATOM 0 HG21 ILE A 92 3.723 -19.126 -3.175 1.00 54.13 H new ATOM 0 HG22 ILE A 92 2.312 -18.623 -2.215 1.00 54.13 H new ATOM 0 HG23 ILE A 92 2.867 -17.618 -3.574 1.00 54.13 H new ATOM 0 HD11 ILE A 92 7.047 -17.795 -3.646 1.00 2.35 H new ATOM 0 HD12 ILE A 92 6.474 -18.869 -2.348 1.00 2.35 H new ATOM 0 HD13 ILE A 92 5.550 -18.732 -3.862 1.00 2.35 H new ATOM 1414 N PHE A 93 0.945 -16.467 -1.139 1.00 3.54 N ATOM 1415 CA PHE A 93 -0.342 -16.869 -0.584 1.00 2.13 C ATOM 1416 C PHE A 93 -0.911 -18.065 -1.342 1.00 1.32 C ATOM 1417 O PHE A 93 -1.347 -17.937 -2.486 1.00 65.52 O ATOM 1418 CB PHE A 93 -1.330 -15.702 -0.634 1.00 0.23 C ATOM 1419 CG PHE A 93 -2.615 -15.972 0.096 1.00 62.43 C ATOM 1420 CD1 PHE A 93 -2.603 -16.544 1.358 1.00 40.10 C ATOM 1421 CD2 PHE A 93 -3.834 -15.655 -0.480 1.00 71.05 C ATOM 1422 CE1 PHE A 93 -3.784 -16.795 2.031 1.00 42.41 C ATOM 1423 CE2 PHE A 93 -5.018 -15.903 0.188 1.00 73.11 C ATOM 1424 CZ PHE A 93 -4.993 -16.473 1.446 1.00 41.33 C ATOM 0 H PHE A 93 0.883 -15.942 -2.011 1.00 3.54 H new ATOM 0 HA PHE A 93 -0.187 -17.160 0.455 1.00 2.13 H new ATOM 0 HB2 PHE A 93 -0.857 -14.818 -0.206 1.00 0.23 H new ATOM 0 HB3 PHE A 93 -1.555 -15.471 -1.675 1.00 0.23 H new ATOM 0 HD1 PHE A 93 -1.660 -16.797 1.821 1.00 40.10 H new ATOM 0 HD2 PHE A 93 -3.860 -15.209 -1.463 1.00 71.05 H new ATOM 0 HE1 PHE A 93 -3.761 -17.243 3.014 1.00 42.41 H new ATOM 0 HE2 PHE A 93 -5.962 -15.651 -0.273 1.00 73.11 H new ATOM 0 HZ PHE A 93 -5.917 -16.666 1.971 1.00 41.33 H new ATOM 1434 N ARG A 94 -0.903 -19.226 -0.695 1.00 41.22 N ATOM 1435 CA ARG A 94 -1.416 -20.445 -1.308 1.00 72.00 C ATOM 1436 C ARG A 94 -2.833 -20.741 -0.826 1.00 14.20 C ATOM 1437 O ARG A 94 -3.151 -20.554 0.349 1.00 55.01 O ATOM 1438 CB ARG A 94 -0.500 -21.627 -0.987 1.00 62.23 C ATOM 1439 CG ARG A 94 0.971 -21.346 -1.248 1.00 71.24 C ATOM 1440 CD ARG A 94 1.857 -22.448 -0.688 1.00 73.02 C ATOM 1441 NE ARG A 94 1.717 -22.579 0.760 1.00 62.44 N ATOM 1442 CZ ARG A 94 2.453 -23.404 1.497 1.00 74.22 C ATOM 1443 NH1 ARG A 94 3.375 -24.166 0.925 1.00 35.40 N ATOM 1444 NH2 ARG A 94 2.267 -23.467 2.809 1.00 33.32 N ATOM 0 H ARG A 94 -0.547 -19.348 0.253 1.00 41.22 H new ATOM 0 HA ARG A 94 -1.441 -20.296 -2.387 1.00 72.00 H new ATOM 0 HB2 ARG A 94 -0.629 -21.902 0.060 1.00 62.23 H new ATOM 0 HB3 ARG A 94 -0.808 -22.487 -1.582 1.00 62.23 H new ATOM 0 HG2 ARG A 94 1.140 -21.252 -2.321 1.00 71.24 H new ATOM 0 HG3 ARG A 94 1.246 -20.392 -0.797 1.00 71.24 H new ATOM 0 HD2 ARG A 94 1.603 -23.395 -1.164 1.00 73.02 H new ATOM 0 HD3 ARG A 94 2.898 -22.237 -0.934 1.00 73.02 H new ATOM 0 HE ARG A 94 1.016 -22.006 1.231 1.00 62.44 H new ATOM 0 HH11 ARG A 94 3.521 -24.120 -0.083 1.00 35.40 H new ATOM 0 HH12 ARG A 94 3.938 -24.798 1.493 1.00 35.40 H new ATOM 0 HH21 ARG A 94 1.559 -22.882 3.252 1.00 33.32 H new ATOM 0 HH22 ARG A 94 2.832 -24.100 3.374 1.00 33.32 H new ATOM 1458 N ILE A 95 -3.680 -21.202 -1.741 1.00 24.25 N ATOM 1459 CA ILE A 95 -5.062 -21.524 -1.408 1.00 41.13 C ATOM 1460 C ILE A 95 -5.610 -22.609 -2.329 1.00 55.52 C ATOM 1461 O ILE A 95 -5.157 -22.762 -3.464 1.00 32.03 O ATOM 1462 CB ILE A 95 -5.967 -20.281 -1.501 1.00 71.41 C ATOM 1463 CG1 ILE A 95 -5.748 -19.562 -2.834 1.00 3.04 C ATOM 1464 CG2 ILE A 95 -5.698 -19.342 -0.335 1.00 51.22 C ATOM 1465 CD1 ILE A 95 -6.622 -18.341 -3.012 1.00 55.03 C ATOM 0 H ILE A 95 -3.433 -21.361 -2.718 1.00 24.25 H new ATOM 0 HA ILE A 95 -5.063 -21.888 -0.381 1.00 41.13 H new ATOM 0 HB ILE A 95 -7.007 -20.602 -1.450 1.00 71.41 H new ATOM 0 HG12 ILE A 95 -4.702 -19.264 -2.910 1.00 3.04 H new ATOM 0 HG13 ILE A 95 -5.941 -20.259 -3.650 1.00 3.04 H new ATOM 0 HG21 ILE A 95 -6.345 -18.468 -0.415 1.00 51.22 H new ATOM 0 HG22 ILE A 95 -5.900 -19.859 0.603 1.00 51.22 H new ATOM 0 HG23 ILE A 95 -4.655 -19.025 -0.357 1.00 51.22 H new ATOM 0 HD11 ILE A 95 -6.413 -17.882 -3.978 1.00 55.03 H new ATOM 0 HD12 ILE A 95 -7.671 -18.635 -2.969 1.00 55.03 H new ATOM 0 HD13 ILE A 95 -6.413 -17.625 -2.217 1.00 55.03 H new ATOM 1477 N TYR A 96 -6.590 -23.357 -1.834 1.00 64.43 N ATOM 1478 CA TYR A 96 -7.200 -24.429 -2.612 1.00 54.42 C ATOM 1479 C TYR A 96 -8.542 -23.986 -3.189 1.00 64.25 C ATOM 1480 O TYR A 96 -9.505 -23.768 -2.454 1.00 22.41 O ATOM 1481 CB TYR A 96 -7.392 -25.673 -1.743 1.00 50.14 C ATOM 1482 CG TYR A 96 -6.094 -26.292 -1.277 1.00 44.24 C ATOM 1483 CD1 TYR A 96 -5.308 -25.665 -0.318 1.00 21.24 C ATOM 1484 CD2 TYR A 96 -5.652 -27.502 -1.797 1.00 62.11 C ATOM 1485 CE1 TYR A 96 -4.120 -26.226 0.111 1.00 75.41 C ATOM 1486 CE2 TYR A 96 -4.467 -28.071 -1.374 1.00 24.45 C ATOM 1487 CZ TYR A 96 -3.704 -27.430 -0.420 1.00 14.34 C ATOM 1488 OH TYR A 96 -2.522 -27.993 0.004 1.00 54.21 O ATOM 0 H TYR A 96 -6.979 -23.241 -0.898 1.00 64.43 H new ATOM 0 HA TYR A 96 -6.531 -24.671 -3.438 1.00 54.42 H new ATOM 0 HB2 TYR A 96 -7.992 -25.409 -0.872 1.00 50.14 H new ATOM 0 HB3 TYR A 96 -7.957 -26.416 -2.306 1.00 50.14 H new ATOM 0 HD1 TYR A 96 -5.631 -24.723 0.099 1.00 21.24 H new ATOM 0 HD2 TYR A 96 -6.245 -28.006 -2.545 1.00 62.11 H new ATOM 0 HE1 TYR A 96 -3.521 -25.725 0.857 1.00 75.41 H new ATOM 0 HE2 TYR A 96 -4.139 -29.013 -1.788 1.00 24.45 H new ATOM 0 HH TYR A 96 -2.375 -28.840 -0.467 1.00 54.21 H new ATOM 1498 N ILE A 97 -8.596 -23.856 -4.511 1.00 25.33 N ATOM 1499 CA ILE A 97 -9.818 -23.442 -5.188 1.00 10.12 C ATOM 1500 C ILE A 97 -10.681 -24.646 -5.549 1.00 54.21 C ATOM 1501 O ILE A 97 -10.208 -25.601 -6.165 1.00 31.34 O ATOM 1502 CB ILE A 97 -9.510 -22.643 -6.468 1.00 5.02 C ATOM 1503 CG1 ILE A 97 -8.468 -21.559 -6.180 1.00 73.32 C ATOM 1504 CG2 ILE A 97 -10.783 -22.027 -7.027 1.00 40.52 C ATOM 1505 CD1 ILE A 97 -8.905 -20.567 -5.125 1.00 43.13 C ATOM 0 H ILE A 97 -7.807 -24.032 -5.134 1.00 25.33 H new ATOM 0 HA ILE A 97 -10.362 -22.803 -4.493 1.00 10.12 H new ATOM 0 HB ILE A 97 -9.102 -23.324 -7.215 1.00 5.02 H new ATOM 0 HG12 ILE A 97 -7.541 -22.034 -5.859 1.00 73.32 H new ATOM 0 HG13 ILE A 97 -8.249 -21.023 -7.103 1.00 73.32 H new ATOM 0 HG21 ILE A 97 -10.549 -21.466 -7.931 1.00 40.52 H new ATOM 0 HG22 ILE A 97 -11.496 -22.817 -7.265 1.00 40.52 H new ATOM 0 HG23 ILE A 97 -11.218 -21.356 -6.286 1.00 40.52 H new ATOM 0 HD11 ILE A 97 -8.118 -19.828 -4.972 1.00 43.13 H new ATOM 0 HD12 ILE A 97 -9.816 -20.065 -5.452 1.00 43.13 H new ATOM 0 HD13 ILE A 97 -9.096 -21.092 -4.189 1.00 43.13 H new ATOM 1517 N LYS A 98 -11.952 -24.593 -5.164 1.00 1.33 N ATOM 1518 CA LYS A 98 -12.884 -25.677 -5.449 1.00 15.40 C ATOM 1519 C LYS A 98 -14.261 -25.129 -5.812 1.00 41.31 C ATOM 1520 O LYS A 98 -14.841 -24.340 -5.067 1.00 4.41 O ATOM 1521 CB LYS A 98 -12.998 -26.610 -4.242 1.00 23.42 C ATOM 1522 CG LYS A 98 -12.147 -27.863 -4.360 1.00 75.42 C ATOM 1523 CD LYS A 98 -12.600 -28.939 -3.387 1.00 15.21 C ATOM 1524 CE LYS A 98 -12.159 -30.322 -3.840 1.00 21.14 C ATOM 1525 NZ LYS A 98 -13.254 -31.323 -3.712 1.00 71.14 N ATOM 0 H LYS A 98 -12.360 -23.810 -4.653 1.00 1.33 H new ATOM 0 HA LYS A 98 -12.499 -26.239 -6.300 1.00 15.40 H new ATOM 0 HB2 LYS A 98 -12.706 -26.066 -3.344 1.00 23.42 H new ATOM 0 HB3 LYS A 98 -14.041 -26.900 -4.114 1.00 23.42 H new ATOM 0 HG2 LYS A 98 -12.202 -28.246 -5.379 1.00 75.42 H new ATOM 0 HG3 LYS A 98 -11.103 -27.614 -4.169 1.00 75.42 H new ATOM 0 HD2 LYS A 98 -12.192 -28.732 -2.398 1.00 15.21 H new ATOM 0 HD3 LYS A 98 -13.686 -28.914 -3.295 1.00 15.21 H new ATOM 0 HE2 LYS A 98 -11.829 -30.276 -4.878 1.00 21.14 H new ATOM 0 HE3 LYS A 98 -11.303 -30.643 -3.247 1.00 21.14 H new ATOM 0 HZ1 LYS A 98 -12.872 -32.278 -3.867 1.00 71.14 H new ATOM 0 HZ2 LYS A 98 -13.667 -31.266 -2.759 1.00 71.14 H new ATOM 0 HZ3 LYS A 98 -13.989 -31.126 -4.420 1.00 71.14 H new ATOM 1539 N GLU A 99 -14.778 -25.554 -6.961 1.00 11.14 N ATOM 1540 CA GLU A 99 -16.087 -25.105 -7.421 1.00 31.43 C ATOM 1541 C GLU A 99 -17.199 -25.704 -6.564 1.00 73.25 C ATOM 1542 O GLU A 99 -17.158 -26.881 -6.206 1.00 62.45 O ATOM 1543 CB GLU A 99 -16.295 -25.488 -8.887 1.00 54.04 C ATOM 1544 CG GLU A 99 -15.898 -26.920 -9.205 1.00 54.23 C ATOM 1545 CD GLU A 99 -17.041 -27.725 -9.793 1.00 31.34 C ATOM 1546 OE1 GLU A 99 -17.931 -28.141 -9.021 1.00 52.32 O ATOM 1547 OE2 GLU A 99 -17.045 -27.941 -11.023 1.00 13.45 O ATOM 0 H GLU A 99 -14.311 -26.208 -7.589 1.00 11.14 H new ATOM 0 HA GLU A 99 -16.125 -24.020 -7.328 1.00 31.43 H new ATOM 0 HB2 GLU A 99 -17.344 -25.345 -9.146 1.00 54.04 H new ATOM 0 HB3 GLU A 99 -15.716 -24.811 -9.516 1.00 54.04 H new ATOM 0 HG2 GLU A 99 -15.064 -26.915 -9.906 1.00 54.23 H new ATOM 0 HG3 GLU A 99 -15.546 -27.406 -8.295 1.00 54.23 H new ATOM 1554 N LYS A 100 -18.193 -24.885 -6.239 1.00 13.21 N ATOM 1555 CA LYS A 100 -19.318 -25.331 -5.426 1.00 32.24 C ATOM 1556 C LYS A 100 -20.077 -26.458 -6.119 1.00 34.14 C ATOM 1557 O LYS A 100 -20.723 -27.278 -5.465 1.00 72.03 O ATOM 1558 CB LYS A 100 -20.265 -24.163 -5.143 1.00 0.43 C ATOM 1559 CG LYS A 100 -19.796 -23.259 -4.016 1.00 10.14 C ATOM 1560 CD LYS A 100 -20.953 -22.490 -3.400 1.00 4.52 C ATOM 1561 CE LYS A 100 -21.613 -21.570 -4.415 1.00 14.41 C ATOM 1562 NZ LYS A 100 -22.720 -20.779 -3.809 1.00 13.10 N ATOM 0 H LYS A 100 -18.242 -23.908 -6.527 1.00 13.21 H new ATOM 0 HA LYS A 100 -18.924 -25.708 -4.482 1.00 32.24 H new ATOM 0 HB2 LYS A 100 -20.378 -23.570 -6.050 1.00 0.43 H new ATOM 0 HB3 LYS A 100 -21.251 -24.557 -4.895 1.00 0.43 H new ATOM 0 HG2 LYS A 100 -19.306 -23.858 -3.248 1.00 10.14 H new ATOM 0 HG3 LYS A 100 -19.053 -22.558 -4.396 1.00 10.14 H new ATOM 0 HD2 LYS A 100 -21.690 -23.191 -3.009 1.00 4.52 H new ATOM 0 HD3 LYS A 100 -20.593 -21.903 -2.555 1.00 4.52 H new ATOM 0 HE2 LYS A 100 -20.867 -20.892 -4.830 1.00 14.41 H new ATOM 0 HE3 LYS A 100 -22.001 -22.162 -5.244 1.00 14.41 H new ATOM 0 HZ1 LYS A 100 -23.144 -20.164 -4.533 1.00 13.10 H new ATOM 0 HZ2 LYS A 100 -23.444 -21.425 -3.436 1.00 13.10 H new ATOM 0 HZ3 LYS A 100 -22.345 -20.194 -3.035 1.00 13.10 H new TER 1576 LYS A 100