USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 881 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 47 TYR OH : rot 0:sc= 0.121 USER MOD Set 1.2: A 92 SER OG : rot 45:sc=0.000253 USER MOD Set 2.1: A 48 TYR OH : rot 63:sc= 1.13 USER MOD Set 2.2: A 91 HIS : no HD1:sc= -12.8! C(o=-12!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.00348 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.981 USER MOD Single : A 3 SER OG : rot 66:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0448) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0326 K(o=-0.033,f=-0.9) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 0.489 (180deg=0.179) USER MOD Single : A 36 SER OG : rot 170:sc= -0.189 USER MOD Single : A 39 THR OG1 : rot 40:sc= -0.224 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0726 X(o=-0.073,f=-0.0032) USER MOD Single : A 50 GLN : amide:sc=0.000938 X(o=0.00094,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -81:sc= 1 USER MOD Single : A 57 CYS SG : rot 26:sc= -2.58 USER MOD Single : A 60 MET CE :methyl -135:sc= -1.39 (180deg=-3.19!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 160:sc= -0.401 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -168:sc= -1.6 (180deg=-1.77) USER MOD Single : A 86 MET CE :methyl -104:sc= -0.155 (180deg=-1.41) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.252 -30.573 12.288 1.00 0.00 N ATOM 2 CA GLY A 1 -2.015 -29.945 13.577 1.00 0.00 C ATOM 3 C GLY A 1 -1.932 -28.424 13.439 1.00 0.00 C ATOM 4 O GLY A 1 -1.267 -27.914 12.539 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.646 -31.413 12.194 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.250 -30.857 12.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.030 -29.899 11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.817 -30.208 14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.088 -30.326 14.006 1.00 0.00 H new ATOM 8 N SER A 2 -2.615 -27.741 14.346 1.00 0.00 N ATOM 9 CA SER A 2 -2.627 -26.288 14.336 1.00 0.00 C ATOM 10 C SER A 2 -3.273 -25.762 15.620 1.00 0.00 C ATOM 11 O SER A 2 -4.479 -25.902 15.814 1.00 0.00 O ATOM 12 CB SER A 2 -3.368 -25.751 13.110 1.00 0.00 C ATOM 13 OG SER A 2 -4.765 -26.026 13.168 1.00 0.00 O ATOM 0 H SER A 2 -3.164 -28.167 15.093 1.00 0.00 H new ATOM 0 HA SER A 2 -1.596 -25.938 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.213 -24.675 13.035 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.948 -26.197 12.208 1.00 0.00 H new ATOM 0 HG SER A 2 -5.053 -26.061 14.104 1.00 0.00 H new ATOM 19 N SER A 3 -2.440 -25.167 16.462 1.00 0.00 N ATOM 20 CA SER A 3 -2.915 -24.619 17.721 1.00 0.00 C ATOM 21 C SER A 3 -1.760 -23.949 18.469 1.00 0.00 C ATOM 22 O SER A 3 -0.712 -24.560 18.674 1.00 0.00 O ATOM 23 CB SER A 3 -3.550 -25.706 18.590 1.00 0.00 C ATOM 24 OG SER A 3 -4.955 -25.810 18.373 1.00 0.00 O ATOM 0 H SER A 3 -1.440 -25.053 16.297 1.00 0.00 H new ATOM 0 HA SER A 3 -3.680 -23.873 17.503 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.078 -26.664 18.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.361 -25.487 19.641 1.00 0.00 H new ATOM 0 HG SER A 3 -5.123 -26.119 17.458 1.00 0.00 H new ATOM 30 N GLY A 4 -1.991 -22.703 18.855 1.00 0.00 N ATOM 31 CA GLY A 4 -0.983 -21.944 19.576 1.00 0.00 C ATOM 32 C GLY A 4 -1.501 -20.551 19.938 1.00 0.00 C ATOM 33 O GLY A 4 -2.181 -19.910 19.138 1.00 0.00 O ATOM 0 H GLY A 4 -2.861 -22.200 18.682 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.700 -22.478 20.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.084 -21.855 18.966 1.00 0.00 H new ATOM 37 N SER A 5 -1.160 -20.123 21.145 1.00 0.00 N ATOM 38 CA SER A 5 -1.582 -18.818 21.623 1.00 0.00 C ATOM 39 C SER A 5 -1.020 -18.566 23.024 1.00 0.00 C ATOM 40 O SER A 5 -1.342 -19.290 23.965 1.00 0.00 O ATOM 41 CB SER A 5 -3.108 -18.702 21.635 1.00 0.00 C ATOM 42 OG SER A 5 -3.550 -17.425 21.185 1.00 0.00 O ATOM 0 H SER A 5 -0.596 -20.657 21.806 1.00 0.00 H new ATOM 0 HA SER A 5 -1.192 -18.062 20.941 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.535 -19.478 21.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.477 -18.878 22.645 1.00 0.00 H new ATOM 0 HG SER A 5 -4.529 -17.392 21.206 1.00 0.00 H new ATOM 48 N SER A 6 -0.189 -17.538 23.117 1.00 0.00 N ATOM 49 CA SER A 6 0.421 -17.183 24.387 1.00 0.00 C ATOM 50 C SER A 6 0.619 -15.668 24.466 1.00 0.00 C ATOM 51 O SER A 6 0.856 -15.015 23.451 1.00 0.00 O ATOM 52 CB SER A 6 1.757 -17.904 24.578 1.00 0.00 C ATOM 53 OG SER A 6 1.657 -18.975 25.512 1.00 0.00 O ATOM 0 H SER A 6 0.076 -16.940 22.334 1.00 0.00 H new ATOM 0 HA SER A 6 -0.248 -17.498 25.188 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.101 -18.291 23.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.507 -17.192 24.922 1.00 0.00 H new ATOM 0 HG SER A 6 2.530 -19.411 25.605 1.00 0.00 H new ATOM 59 N GLY A 7 0.515 -15.152 25.682 1.00 0.00 N ATOM 60 CA GLY A 7 0.680 -13.726 25.907 1.00 0.00 C ATOM 61 C GLY A 7 -0.645 -13.078 26.313 1.00 0.00 C ATOM 62 O GLY A 7 -1.607 -13.773 26.634 1.00 0.00 O ATOM 0 H GLY A 7 0.318 -15.696 26.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.424 -13.561 26.687 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.058 -13.253 25.001 1.00 0.00 H new ATOM 66 N MET A 8 -0.651 -11.753 26.287 1.00 0.00 N ATOM 67 CA MET A 8 -1.842 -11.003 26.649 1.00 0.00 C ATOM 68 C MET A 8 -1.994 -9.759 25.772 1.00 0.00 C ATOM 69 O MET A 8 -1.007 -9.233 25.258 1.00 0.00 O ATOM 70 CB MET A 8 -1.756 -10.586 28.118 1.00 0.00 C ATOM 71 CG MET A 8 -2.488 -11.585 29.016 1.00 0.00 C ATOM 72 SD MET A 8 -2.095 -11.270 30.728 1.00 0.00 S ATOM 73 CE MET A 8 -3.560 -11.926 31.509 1.00 0.00 C ATOM 0 H MET A 8 0.150 -11.180 26.021 1.00 0.00 H new ATOM 0 HA MET A 8 -2.712 -11.641 26.494 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.711 -10.518 28.420 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.189 -9.594 28.244 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.564 -11.505 28.861 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.202 -12.603 28.750 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.480 -11.809 32.590 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.436 -11.387 31.150 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.660 -12.984 31.265 1.00 0.00 H new ATOM 83 N GLU A 9 -3.237 -9.323 25.629 1.00 0.00 N ATOM 84 CA GLU A 9 -3.530 -8.150 24.823 1.00 0.00 C ATOM 85 C GLU A 9 -4.866 -7.536 25.246 1.00 0.00 C ATOM 86 O GLU A 9 -5.917 -7.910 24.727 1.00 0.00 O ATOM 87 CB GLU A 9 -3.532 -8.495 23.332 1.00 0.00 C ATOM 88 CG GLU A 9 -3.446 -7.229 22.477 1.00 0.00 C ATOM 89 CD GLU A 9 -2.627 -7.480 21.208 1.00 0.00 C ATOM 90 OE1 GLU A 9 -2.849 -8.544 20.591 1.00 0.00 O ATOM 91 OE2 GLU A 9 -1.799 -6.601 20.885 1.00 0.00 O ATOM 0 H GLU A 9 -4.053 -9.761 26.058 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.745 -7.413 24.990 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.690 -9.149 23.105 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.439 -9.045 23.083 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.449 -6.899 22.208 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.990 -6.425 23.055 1.00 0.00 H new ATOM 98 N LYS A 10 -4.783 -6.604 26.184 1.00 0.00 N ATOM 99 CA LYS A 10 -5.972 -5.935 26.682 1.00 0.00 C ATOM 100 C LYS A 10 -5.583 -4.571 27.256 1.00 0.00 C ATOM 101 O LYS A 10 -4.702 -4.481 28.110 1.00 0.00 O ATOM 102 CB LYS A 10 -6.714 -6.831 27.676 1.00 0.00 C ATOM 103 CG LYS A 10 -7.810 -7.636 26.975 1.00 0.00 C ATOM 104 CD LYS A 10 -8.968 -7.933 27.931 1.00 0.00 C ATOM 105 CE LYS A 10 -10.317 -7.698 27.248 1.00 0.00 C ATOM 106 NZ LYS A 10 -11.216 -6.923 28.132 1.00 0.00 N ATOM 0 H LYS A 10 -3.910 -6.296 26.612 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.674 -5.750 25.868 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.009 -7.510 28.156 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.154 -6.220 28.464 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.179 -7.081 26.112 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.395 -8.571 26.599 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.905 -8.966 28.274 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.888 -7.298 28.813 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.168 -7.162 26.310 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.777 -8.654 26.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.127 -6.772 27.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.372 -7.449 29.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.782 -6.003 28.348 1.00 0.00 H new ATOM 120 N THR A 11 -6.257 -3.543 26.762 1.00 0.00 N ATOM 121 CA THR A 11 -5.993 -2.188 27.215 1.00 0.00 C ATOM 122 C THR A 11 -4.558 -1.782 26.874 1.00 0.00 C ATOM 123 O THR A 11 -3.608 -2.458 27.267 1.00 0.00 O ATOM 124 CB THR A 11 -6.304 -2.120 28.712 1.00 0.00 C ATOM 125 OG1 THR A 11 -7.727 -2.078 28.769 1.00 0.00 O ATOM 126 CG2 THR A 11 -5.867 -0.796 29.342 1.00 0.00 C ATOM 0 H THR A 11 -6.986 -3.621 26.052 1.00 0.00 H new ATOM 0 HA THR A 11 -6.632 -1.469 26.703 1.00 0.00 H new ATOM 0 HB THR A 11 -5.809 -2.946 29.223 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.016 -2.035 29.704 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.111 -0.801 30.404 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.791 -0.671 29.217 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.387 0.028 28.854 1.00 0.00 H new ATOM 134 N LEU A 12 -4.445 -0.681 26.146 1.00 0.00 N ATOM 135 CA LEU A 12 -3.141 -0.177 25.748 1.00 0.00 C ATOM 136 C LEU A 12 -2.644 0.823 26.794 1.00 0.00 C ATOM 137 O LEU A 12 -3.270 1.858 27.015 1.00 0.00 O ATOM 138 CB LEU A 12 -3.198 0.394 24.330 1.00 0.00 C ATOM 139 CG LEU A 12 -2.001 0.079 23.431 1.00 0.00 C ATOM 140 CD1 LEU A 12 -2.425 -0.766 22.229 1.00 0.00 C ATOM 141 CD2 LEU A 12 -1.282 1.362 23.006 1.00 0.00 C ATOM 0 H LEU A 12 -5.235 -0.123 25.821 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.414 -0.988 25.712 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.100 0.020 23.845 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.300 1.477 24.400 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.289 -0.514 24.005 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.555 -0.975 21.607 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.856 -1.704 22.578 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.167 -0.221 21.645 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.435 1.110 22.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.973 2.001 22.457 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.925 1.889 23.891 1.00 0.00 H new ATOM 153 N GLU A 13 -1.523 0.477 27.410 1.00 0.00 N ATOM 154 CA GLU A 13 -0.935 1.331 28.428 1.00 0.00 C ATOM 155 C GLU A 13 -0.120 2.449 27.776 1.00 0.00 C ATOM 156 O GLU A 13 0.967 2.206 27.252 1.00 0.00 O ATOM 157 CB GLU A 13 -0.074 0.517 29.396 1.00 0.00 C ATOM 158 CG GLU A 13 -0.696 0.490 30.793 1.00 0.00 C ATOM 159 CD GLU A 13 0.138 1.307 31.782 1.00 0.00 C ATOM 160 OE1 GLU A 13 0.437 2.473 31.444 1.00 0.00 O ATOM 161 OE2 GLU A 13 0.459 0.747 32.852 1.00 0.00 O ATOM 0 H GLU A 13 -1.007 -0.383 27.224 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.741 1.785 29.005 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.035 -0.501 29.023 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.926 0.947 29.448 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.710 0.888 30.751 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.772 -0.540 31.141 1.00 0.00 H new ATOM 168 N THR A 14 -0.675 3.651 27.829 1.00 0.00 N ATOM 169 CA THR A 14 -0.012 4.808 27.250 1.00 0.00 C ATOM 170 C THR A 14 -0.715 6.096 27.682 1.00 0.00 C ATOM 171 O THR A 14 -1.923 6.102 27.913 1.00 0.00 O ATOM 172 CB THR A 14 0.029 4.618 25.732 1.00 0.00 C ATOM 173 OG1 THR A 14 0.759 5.748 25.261 1.00 0.00 O ATOM 174 CG2 THR A 14 -1.349 4.768 25.085 1.00 0.00 C ATOM 0 H THR A 14 -1.576 3.849 28.264 1.00 0.00 H new ATOM 0 HA THR A 14 1.013 4.898 27.609 1.00 0.00 H new ATOM 0 HB THR A 14 0.432 3.632 25.500 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.835 5.705 24.285 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.263 4.624 24.008 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.028 4.022 25.498 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.739 5.765 25.287 1.00 0.00 H new ATOM 182 N VAL A 15 0.072 7.158 27.777 1.00 0.00 N ATOM 183 CA VAL A 15 -0.459 8.450 28.177 1.00 0.00 C ATOM 184 C VAL A 15 -1.601 8.841 27.236 1.00 0.00 C ATOM 185 O VAL A 15 -1.638 8.406 26.086 1.00 0.00 O ATOM 186 CB VAL A 15 0.664 9.488 28.218 1.00 0.00 C ATOM 187 CG1 VAL A 15 1.676 9.158 29.317 1.00 0.00 C ATOM 188 CG2 VAL A 15 1.352 9.604 26.856 1.00 0.00 C ATOM 0 H VAL A 15 1.073 7.150 27.584 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.871 8.398 29.185 1.00 0.00 H new ATOM 0 HB VAL A 15 0.219 10.455 28.453 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.464 9.911 29.324 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.173 9.149 30.284 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.113 8.178 29.127 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.146 10.348 26.912 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.778 8.639 26.580 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.623 9.907 26.105 1.00 0.00 H new ATOM 198 N PRO A 16 -2.527 9.679 27.774 1.00 0.00 N ATOM 199 CA PRO A 16 -3.667 10.133 26.995 1.00 0.00 C ATOM 200 C PRO A 16 -3.246 11.195 25.977 1.00 0.00 C ATOM 201 O PRO A 16 -2.109 11.663 25.996 1.00 0.00 O ATOM 202 CB PRO A 16 -4.661 10.653 28.020 1.00 0.00 C ATOM 203 CG PRO A 16 -3.861 10.901 29.288 1.00 0.00 C ATOM 204 CD PRO A 16 -2.515 10.214 29.132 1.00 0.00 C ATOM 0 HA PRO A 16 -4.112 9.338 26.396 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.136 11.570 27.673 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.456 9.928 28.195 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.727 11.970 29.452 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.391 10.510 30.156 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.693 10.916 29.274 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.387 9.421 29.869 1.00 0.00 H new ATOM 212 N LEU A 17 -4.187 11.544 25.111 1.00 0.00 N ATOM 213 CA LEU A 17 -3.929 12.542 24.087 1.00 0.00 C ATOM 214 C LEU A 17 -5.240 12.895 23.383 1.00 0.00 C ATOM 215 O LEU A 17 -6.100 12.036 23.196 1.00 0.00 O ATOM 216 CB LEU A 17 -2.831 12.061 23.136 1.00 0.00 C ATOM 217 CG LEU A 17 -1.921 13.147 22.559 1.00 0.00 C ATOM 218 CD1 LEU A 17 -0.454 12.715 22.605 1.00 0.00 C ATOM 219 CD2 LEU A 17 -2.359 13.537 21.146 1.00 0.00 C ATOM 0 H LEU A 17 -5.129 11.153 25.098 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.551 13.460 24.536 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.210 11.338 23.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.302 11.531 22.308 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.015 14.037 23.182 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.171 13.505 22.189 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.162 12.528 23.638 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.324 11.804 22.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.695 14.311 20.760 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.314 12.663 20.497 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.381 13.916 21.173 1.00 0.00 H new ATOM 231 N GLU A 18 -5.353 14.162 23.013 1.00 0.00 N ATOM 232 CA GLU A 18 -6.545 14.640 22.334 1.00 0.00 C ATOM 233 C GLU A 18 -6.235 15.918 21.552 1.00 0.00 C ATOM 234 O GLU A 18 -5.448 16.750 22.002 1.00 0.00 O ATOM 235 CB GLU A 18 -7.687 14.869 23.327 1.00 0.00 C ATOM 236 CG GLU A 18 -8.978 15.248 22.599 1.00 0.00 C ATOM 237 CD GLU A 18 -9.476 16.625 23.046 1.00 0.00 C ATOM 238 OE1 GLU A 18 -9.463 16.862 24.273 1.00 0.00 O ATOM 239 OE2 GLU A 18 -9.858 17.408 22.150 1.00 0.00 O ATOM 0 H GLU A 18 -4.638 14.872 23.171 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.868 13.875 21.628 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.849 13.966 23.915 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.413 15.660 24.025 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.805 15.252 21.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.744 14.498 22.796 1.00 0.00 H new ATOM 246 N ARG A 19 -6.869 16.034 20.394 1.00 0.00 N ATOM 247 CA ARG A 19 -6.670 17.197 19.545 1.00 0.00 C ATOM 248 C ARG A 19 -5.175 17.461 19.350 1.00 0.00 C ATOM 249 O ARG A 19 -4.549 18.135 20.166 1.00 0.00 O ATOM 250 CB ARG A 19 -7.326 18.439 20.150 1.00 0.00 C ATOM 251 CG ARG A 19 -8.194 19.159 19.117 1.00 0.00 C ATOM 252 CD ARG A 19 -9.297 19.972 19.798 1.00 0.00 C ATOM 253 NE ARG A 19 -10.619 19.584 19.258 1.00 0.00 N ATOM 254 CZ ARG A 19 -11.737 20.305 19.416 1.00 0.00 C ATOM 255 NH1 ARG A 19 -11.699 21.457 20.100 1.00 0.00 N ATOM 256 NH2 ARG A 19 -12.892 19.875 18.891 1.00 0.00 N ATOM 0 H ARG A 19 -7.521 15.342 20.024 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.135 16.988 18.581 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.936 18.152 21.006 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.557 19.117 20.520 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.573 19.819 18.511 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.640 18.430 18.440 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.271 19.804 20.875 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.127 21.037 19.637 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.683 18.712 18.732 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.819 21.784 20.500 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.550 22.007 20.221 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.921 18.998 18.371 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.743 20.424 19.012 1.00 0.00 H new ATOM 270 N LYS A 20 -4.648 16.918 18.262 1.00 0.00 N ATOM 271 CA LYS A 20 -3.240 17.087 17.949 1.00 0.00 C ATOM 272 C LYS A 20 -3.038 16.957 16.438 1.00 0.00 C ATOM 273 O LYS A 20 -2.717 17.935 15.764 1.00 0.00 O ATOM 274 CB LYS A 20 -2.388 16.115 18.768 1.00 0.00 C ATOM 275 CG LYS A 20 -1.059 16.757 19.173 1.00 0.00 C ATOM 276 CD LYS A 20 -1.035 17.069 20.671 1.00 0.00 C ATOM 277 CE LYS A 20 -0.192 18.314 20.958 1.00 0.00 C ATOM 278 NZ LYS A 20 0.477 18.194 22.272 1.00 0.00 N ATOM 0 H LYS A 20 -5.171 16.361 17.587 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.905 18.085 18.232 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.935 15.809 19.660 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.198 15.213 18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.236 16.087 18.924 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.906 17.674 18.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.052 17.223 21.030 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.630 16.217 21.217 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.554 18.444 20.174 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.826 19.201 20.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.045 19.047 22.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.240 18.092 23.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.097 17.359 22.271 1.00 0.00 H new ATOM 292 N LYS A 21 -3.237 15.741 15.949 1.00 0.00 N ATOM 293 CA LYS A 21 -3.081 15.471 14.530 1.00 0.00 C ATOM 294 C LYS A 21 -3.761 16.581 13.726 1.00 0.00 C ATOM 295 O LYS A 21 -4.699 17.215 14.207 1.00 0.00 O ATOM 296 CB LYS A 21 -3.590 14.068 14.193 1.00 0.00 C ATOM 297 CG LYS A 21 -2.439 13.061 14.159 1.00 0.00 C ATOM 298 CD LYS A 21 -2.410 12.219 15.436 1.00 0.00 C ATOM 299 CE LYS A 21 -0.986 12.101 15.983 1.00 0.00 C ATOM 300 NZ LYS A 21 -0.847 12.874 17.237 1.00 0.00 N ATOM 0 H LYS A 21 -3.505 14.933 16.510 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.026 15.478 14.255 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.328 13.758 14.933 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.094 14.082 13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.546 12.409 13.292 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.492 13.589 14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.056 12.671 16.189 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.808 11.225 15.230 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.746 11.054 16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.274 12.466 15.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.079 12.676 17.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.922 13.890 17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.601 12.600 17.899 1.00 0.00 H new ATOM 314 N ARG A 22 -3.261 16.783 12.516 1.00 0.00 N ATOM 315 CA ARG A 22 -3.809 17.805 11.641 1.00 0.00 C ATOM 316 C ARG A 22 -4.900 17.211 10.748 1.00 0.00 C ATOM 317 O ARG A 22 -4.912 16.008 10.493 1.00 0.00 O ATOM 318 CB ARG A 22 -2.718 18.419 10.761 1.00 0.00 C ATOM 319 CG ARG A 22 -2.639 19.934 10.961 1.00 0.00 C ATOM 320 CD ARG A 22 -3.180 20.678 9.738 1.00 0.00 C ATOM 321 NE ARG A 22 -4.305 21.554 10.135 1.00 0.00 N ATOM 322 CZ ARG A 22 -4.952 22.372 9.295 1.00 0.00 C ATOM 323 NH1 ARG A 22 -4.590 22.432 8.006 1.00 0.00 N ATOM 324 NH2 ARG A 22 -5.962 23.131 9.743 1.00 0.00 N ATOM 0 H ARG A 22 -2.482 16.256 12.121 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.235 18.586 12.270 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.756 17.967 11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.923 18.197 9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.209 20.218 11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.605 20.227 11.141 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.388 21.273 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.513 19.963 8.985 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.606 21.533 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.822 21.855 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.083 23.055 7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.238 23.086 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.455 23.754 9.103 1.00 0.00 H new ATOM 338 N GLU A 23 -5.790 18.083 10.297 1.00 0.00 N ATOM 339 CA GLU A 23 -6.883 17.660 9.438 1.00 0.00 C ATOM 340 C GLU A 23 -6.337 17.049 8.146 1.00 0.00 C ATOM 341 O GLU A 23 -6.679 15.921 7.795 1.00 0.00 O ATOM 342 CB GLU A 23 -7.827 18.826 9.137 1.00 0.00 C ATOM 343 CG GLU A 23 -9.044 18.799 10.063 1.00 0.00 C ATOM 344 CD GLU A 23 -9.381 20.204 10.567 1.00 0.00 C ATOM 345 OE1 GLU A 23 -9.840 21.012 9.730 1.00 0.00 O ATOM 346 OE2 GLU A 23 -9.171 20.439 11.776 1.00 0.00 O ATOM 0 H GLU A 23 -5.776 19.080 10.510 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.457 16.897 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.295 19.770 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.154 18.775 8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.901 18.384 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.846 18.143 10.910 1.00 0.00 H new ATOM 353 N LYS A 24 -5.496 17.821 7.473 1.00 0.00 N ATOM 354 CA LYS A 24 -4.899 17.370 6.227 1.00 0.00 C ATOM 355 C LYS A 24 -4.020 16.148 6.501 1.00 0.00 C ATOM 356 O LYS A 24 -3.680 15.404 5.582 1.00 0.00 O ATOM 357 CB LYS A 24 -4.158 18.519 5.541 1.00 0.00 C ATOM 358 CG LYS A 24 -4.421 18.519 4.034 1.00 0.00 C ATOM 359 CD LYS A 24 -5.178 19.778 3.609 1.00 0.00 C ATOM 360 CE LYS A 24 -4.609 20.348 2.308 1.00 0.00 C ATOM 361 NZ LYS A 24 -5.602 20.237 1.216 1.00 0.00 N ATOM 0 H LYS A 24 -5.214 18.756 7.767 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.672 17.057 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.477 19.469 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.088 18.429 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.475 18.461 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.997 17.635 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.234 19.544 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.114 20.528 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.333 21.393 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.699 19.812 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.200 20.628 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.845 19.237 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.459 20.768 1.471 1.00 0.00 H new ATOM 375 N GLU A 25 -3.675 15.979 7.770 1.00 0.00 N ATOM 376 CA GLU A 25 -2.842 14.861 8.176 1.00 0.00 C ATOM 377 C GLU A 25 -3.678 13.583 8.273 1.00 0.00 C ATOM 378 O GLU A 25 -3.381 12.591 7.609 1.00 0.00 O ATOM 379 CB GLU A 25 -2.137 15.155 9.501 1.00 0.00 C ATOM 380 CG GLU A 25 -0.756 14.497 9.546 1.00 0.00 C ATOM 381 CD GLU A 25 -0.174 14.540 10.961 1.00 0.00 C ATOM 382 OE1 GLU A 25 -0.124 15.657 11.520 1.00 0.00 O ATOM 383 OE2 GLU A 25 0.208 13.455 11.450 1.00 0.00 O ATOM 0 H GLU A 25 -3.958 16.598 8.530 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.073 14.713 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.035 16.232 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.745 14.790 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.831 13.462 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.083 15.007 8.857 1.00 0.00 H new ATOM 390 N GLN A 26 -4.708 13.649 9.104 1.00 0.00 N ATOM 391 CA GLN A 26 -5.589 12.510 9.296 1.00 0.00 C ATOM 392 C GLN A 26 -6.361 12.214 8.009 1.00 0.00 C ATOM 393 O GLN A 26 -7.026 11.184 7.903 1.00 0.00 O ATOM 394 CB GLN A 26 -6.546 12.748 10.466 1.00 0.00 C ATOM 395 CG GLN A 26 -7.623 13.768 10.095 1.00 0.00 C ATOM 396 CD GLN A 26 -8.344 14.283 11.343 1.00 0.00 C ATOM 397 OE1 GLN A 26 -7.761 14.459 12.400 1.00 0.00 O ATOM 398 NE2 GLN A 26 -9.642 14.512 11.162 1.00 0.00 N ATOM 0 H GLN A 26 -4.952 14.474 9.652 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.979 11.640 9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.015 11.807 10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.987 13.103 11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.169 14.604 9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.344 13.311 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.067 14.343 10.250 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.212 14.856 11.935 1.00 0.00 H new ATOM 407 N PHE A 27 -6.247 13.134 7.063 1.00 0.00 N ATOM 408 CA PHE A 27 -6.926 12.985 5.787 1.00 0.00 C ATOM 409 C PHE A 27 -6.188 11.993 4.886 1.00 0.00 C ATOM 410 O PHE A 27 -6.808 11.127 4.270 1.00 0.00 O ATOM 411 CB PHE A 27 -6.928 14.360 5.117 1.00 0.00 C ATOM 412 CG PHE A 27 -8.198 15.175 5.373 1.00 0.00 C ATOM 413 CD1 PHE A 27 -8.882 15.020 6.538 1.00 0.00 C ATOM 414 CD2 PHE A 27 -8.642 16.054 4.435 1.00 0.00 C ATOM 415 CE1 PHE A 27 -10.060 15.777 6.775 1.00 0.00 C ATOM 416 CE2 PHE A 27 -9.820 16.811 4.672 1.00 0.00 C ATOM 417 CZ PHE A 27 -10.504 16.656 5.837 1.00 0.00 C ATOM 0 H PHE A 27 -5.694 13.986 7.155 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.937 12.609 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.067 14.927 5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.803 14.229 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.530 14.322 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.099 16.176 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.603 15.655 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.172 17.509 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.400 17.231 6.017 1.00 0.00 H new ATOM 427 N ARG A 28 -4.873 12.151 4.838 1.00 0.00 N ATOM 428 CA ARG A 28 -4.044 11.280 4.022 1.00 0.00 C ATOM 429 C ARG A 28 -3.168 10.396 4.912 1.00 0.00 C ATOM 430 O ARG A 28 -2.130 9.903 4.474 1.00 0.00 O ATOM 431 CB ARG A 28 -3.149 12.093 3.084 1.00 0.00 C ATOM 432 CG ARG A 28 -3.979 13.049 2.226 1.00 0.00 C ATOM 433 CD ARG A 28 -3.242 13.407 0.934 1.00 0.00 C ATOM 434 NE ARG A 28 -2.863 14.837 0.947 1.00 0.00 N ATOM 435 CZ ARG A 28 -3.737 15.847 0.842 1.00 0.00 C ATOM 436 NH1 ARG A 28 -5.046 15.590 0.715 1.00 0.00 N ATOM 437 NH2 ARG A 28 -3.302 17.115 0.864 1.00 0.00 N ATOM 0 H ARG A 28 -4.361 12.869 5.351 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.707 10.656 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.424 12.660 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.583 11.419 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.938 12.589 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.193 13.957 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.351 12.787 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.878 13.199 0.073 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.874 15.069 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.377 14.625 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.711 16.359 0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.306 17.311 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.967 17.884 0.784 1.00 0.00 H new ATOM 451 N LYS A 29 -3.619 10.222 6.146 1.00 0.00 N ATOM 452 CA LYS A 29 -2.890 9.405 7.101 1.00 0.00 C ATOM 453 C LYS A 29 -3.717 8.164 7.441 1.00 0.00 C ATOM 454 O LYS A 29 -4.826 8.276 7.962 1.00 0.00 O ATOM 455 CB LYS A 29 -2.495 10.235 8.324 1.00 0.00 C ATOM 456 CG LYS A 29 -1.799 9.367 9.374 1.00 0.00 C ATOM 457 CD LYS A 29 -2.483 9.500 10.736 1.00 0.00 C ATOM 458 CE LYS A 29 -1.466 9.832 11.831 1.00 0.00 C ATOM 459 NZ LYS A 29 -1.883 9.241 13.122 1.00 0.00 N ATOM 0 H LYS A 29 -4.480 10.633 6.506 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.954 9.055 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.832 11.045 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.383 10.695 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.813 8.324 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.753 9.661 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.242 10.281 10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.996 8.570 10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.484 9.452 11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.372 10.913 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.481 9.796 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.921 9.250 13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.541 8.261 13.182 1.00 0.00 H new ATOM 473 N LEU A 30 -3.147 7.009 7.133 1.00 0.00 N ATOM 474 CA LEU A 30 -3.818 5.748 7.400 1.00 0.00 C ATOM 475 C LEU A 30 -3.072 5.003 8.509 1.00 0.00 C ATOM 476 O LEU A 30 -1.904 5.284 8.774 1.00 0.00 O ATOM 477 CB LEU A 30 -3.969 4.939 6.110 1.00 0.00 C ATOM 478 CG LEU A 30 -5.279 5.137 5.344 1.00 0.00 C ATOM 479 CD1 LEU A 30 -5.440 6.593 4.903 1.00 0.00 C ATOM 480 CD2 LEU A 30 -5.376 4.167 4.165 1.00 0.00 C ATOM 0 H LEU A 30 -2.227 6.919 6.701 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.832 5.924 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.142 5.192 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.870 3.881 6.354 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.106 4.910 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.379 6.707 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.446 7.240 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.610 6.870 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.316 4.328 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.543 4.339 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.338 3.142 4.533 1.00 0.00 H new ATOM 492 N PHE A 31 -3.778 4.067 9.127 1.00 0.00 N ATOM 493 CA PHE A 31 -3.198 3.280 10.202 1.00 0.00 C ATOM 494 C PHE A 31 -3.259 1.785 9.881 1.00 0.00 C ATOM 495 O PHE A 31 -4.337 1.192 9.873 1.00 0.00 O ATOM 496 CB PHE A 31 -4.029 3.554 11.457 1.00 0.00 C ATOM 497 CG PHE A 31 -3.555 2.792 12.696 1.00 0.00 C ATOM 498 CD1 PHE A 31 -3.834 1.468 12.827 1.00 0.00 C ATOM 499 CD2 PHE A 31 -2.855 3.439 13.666 1.00 0.00 C ATOM 500 CE1 PHE A 31 -3.395 0.760 13.978 1.00 0.00 C ATOM 501 CE2 PHE A 31 -2.415 2.732 14.816 1.00 0.00 C ATOM 502 CZ PHE A 31 -2.694 1.408 14.947 1.00 0.00 C ATOM 0 H PHE A 31 -4.746 3.836 8.904 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.152 3.553 10.340 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.006 4.623 11.669 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.068 3.291 11.257 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.389 0.954 12.056 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.634 4.491 13.562 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.618 -0.292 14.083 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.859 3.246 15.586 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.359 0.870 15.821 1.00 0.00 H new ATOM 512 N ILE A 32 -2.089 1.219 9.624 1.00 0.00 N ATOM 513 CA ILE A 32 -1.996 -0.195 9.303 1.00 0.00 C ATOM 514 C ILE A 32 -1.993 -1.008 10.599 1.00 0.00 C ATOM 515 O ILE A 32 -1.267 -0.685 11.538 1.00 0.00 O ATOM 516 CB ILE A 32 -0.785 -0.463 8.407 1.00 0.00 C ATOM 517 CG1 ILE A 32 -0.588 0.671 7.398 1.00 0.00 C ATOM 518 CG2 ILE A 32 -0.900 -1.826 7.723 1.00 0.00 C ATOM 519 CD1 ILE A 32 -1.865 0.913 6.590 1.00 0.00 C ATOM 0 H ILE A 32 -1.197 1.714 9.632 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.866 -0.513 8.728 1.00 0.00 H new ATOM 0 HB ILE A 32 0.105 -0.493 9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.306 1.584 7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.232 0.424 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.027 -1.991 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.955 -2.609 8.479 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.801 -1.850 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.698 1.723 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.130 0.005 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.677 1.183 7.265 1.00 0.00 H new ATOM 531 N GLY A 33 -2.815 -2.048 10.610 1.00 0.00 N ATOM 532 CA GLY A 33 -2.917 -2.910 11.775 1.00 0.00 C ATOM 533 C GLY A 33 -2.672 -4.372 11.398 1.00 0.00 C ATOM 534 O GLY A 33 -3.453 -4.964 10.654 1.00 0.00 O ATOM 0 H GLY A 33 -3.417 -2.313 9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.192 -2.598 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.905 -2.807 12.223 1.00 0.00 H new ATOM 538 N GLY A 34 -1.585 -4.913 11.928 1.00 0.00 N ATOM 539 CA GLY A 34 -1.228 -6.295 11.657 1.00 0.00 C ATOM 540 C GLY A 34 0.042 -6.376 10.807 1.00 0.00 C ATOM 541 O GLY A 34 -0.013 -6.752 9.637 1.00 0.00 O ATOM 0 H GLY A 34 -0.939 -4.419 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.076 -6.826 12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.049 -6.792 11.140 1.00 0.00 H new ATOM 545 N LEU A 35 1.156 -6.018 11.429 1.00 0.00 N ATOM 546 CA LEU A 35 2.437 -6.045 10.744 1.00 0.00 C ATOM 547 C LEU A 35 3.261 -7.227 11.260 1.00 0.00 C ATOM 548 O LEU A 35 4.442 -7.351 10.941 1.00 0.00 O ATOM 549 CB LEU A 35 3.146 -4.696 10.879 1.00 0.00 C ATOM 550 CG LEU A 35 2.285 -3.458 10.624 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.148 -2.266 10.206 1.00 0.00 C ATOM 552 CD2 LEU A 35 1.185 -3.755 9.602 1.00 0.00 C ATOM 0 H LEU A 35 1.198 -5.708 12.400 1.00 0.00 H new ATOM 0 HA LEU A 35 2.294 -6.198 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.561 -4.625 11.884 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.987 -4.679 10.185 1.00 0.00 H new ATOM 0 HG LEU A 35 1.792 -3.187 11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.511 -1.399 10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.861 -2.038 10.998 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.687 -2.510 9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.588 -2.858 9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.638 -4.065 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.545 -4.554 9.978 1.00 0.00 H new ATOM 564 N SER A 36 2.604 -8.065 12.049 1.00 0.00 N ATOM 565 CA SER A 36 3.261 -9.233 12.612 1.00 0.00 C ATOM 566 C SER A 36 4.338 -8.798 13.608 1.00 0.00 C ATOM 567 O SER A 36 4.156 -8.923 14.818 1.00 0.00 O ATOM 568 CB SER A 36 3.875 -10.103 11.513 1.00 0.00 C ATOM 569 OG SER A 36 5.053 -10.771 11.957 1.00 0.00 O ATOM 0 H SER A 36 1.624 -7.959 12.312 1.00 0.00 H new ATOM 0 HA SER A 36 2.512 -9.829 13.133 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.143 -10.840 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.114 -9.482 10.650 1.00 0.00 H new ATOM 0 HG SER A 36 5.324 -11.435 11.289 1.00 0.00 H new ATOM 575 N PHE A 37 5.435 -8.295 13.062 1.00 0.00 N ATOM 576 CA PHE A 37 6.541 -7.841 13.888 1.00 0.00 C ATOM 577 C PHE A 37 7.828 -7.727 13.067 1.00 0.00 C ATOM 578 O PHE A 37 8.718 -6.949 13.407 1.00 0.00 O ATOM 579 CB PHE A 37 6.741 -8.889 14.984 1.00 0.00 C ATOM 580 CG PHE A 37 6.332 -8.415 16.380 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.367 -7.468 16.521 1.00 0.00 C ATOM 582 CD2 PHE A 37 6.935 -8.941 17.481 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.988 -7.027 17.817 1.00 0.00 C ATOM 584 CE2 PHE A 37 6.556 -8.500 18.776 1.00 0.00 C ATOM 585 CZ PHE A 37 5.590 -7.553 18.917 1.00 0.00 C ATOM 0 H PHE A 37 5.582 -8.192 12.058 1.00 0.00 H new ATOM 0 HA PHE A 37 6.317 -6.858 14.301 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.165 -9.779 14.731 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.790 -9.183 15.004 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.888 -7.051 15.647 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.702 -9.694 17.369 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.222 -6.274 17.929 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.035 -8.917 19.650 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.301 -7.219 19.903 1.00 0.00 H new ATOM 595 N GLU A 38 7.884 -8.515 12.003 1.00 0.00 N ATOM 596 CA GLU A 38 9.047 -8.512 11.132 1.00 0.00 C ATOM 597 C GLU A 38 8.781 -7.651 9.895 1.00 0.00 C ATOM 598 O GLU A 38 9.325 -7.914 8.823 1.00 0.00 O ATOM 599 CB GLU A 38 9.437 -9.937 10.734 1.00 0.00 C ATOM 600 CG GLU A 38 10.371 -10.560 11.774 1.00 0.00 C ATOM 601 CD GLU A 38 10.934 -11.893 11.277 1.00 0.00 C ATOM 602 OE1 GLU A 38 10.157 -12.633 10.635 1.00 0.00 O ATOM 603 OE2 GLU A 38 12.128 -12.142 11.550 1.00 0.00 O ATOM 0 H GLU A 38 7.144 -9.159 11.725 1.00 0.00 H new ATOM 0 HA GLU A 38 9.885 -8.080 11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.540 -10.548 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.927 -9.925 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.190 -9.874 11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.830 -10.715 12.707 1.00 0.00 H new ATOM 610 N THR A 39 7.946 -6.640 10.085 1.00 0.00 N ATOM 611 CA THR A 39 7.602 -5.739 8.998 1.00 0.00 C ATOM 612 C THR A 39 8.141 -4.335 9.279 1.00 0.00 C ATOM 613 O THR A 39 7.677 -3.661 10.197 1.00 0.00 O ATOM 614 CB THR A 39 6.084 -5.782 8.812 1.00 0.00 C ATOM 615 OG1 THR A 39 5.876 -6.854 7.896 1.00 0.00 O ATOM 616 CG2 THR A 39 5.550 -4.553 8.074 1.00 0.00 C ATOM 0 H THR A 39 7.498 -6.425 10.975 1.00 0.00 H new ATOM 0 HA THR A 39 8.067 -6.050 8.063 1.00 0.00 H new ATOM 0 HB THR A 39 5.601 -5.859 9.786 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.483 -7.592 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.468 -4.634 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.793 -3.654 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.008 -4.494 7.086 1.00 0.00 H new ATOM 624 N THR A 40 9.112 -3.936 8.471 1.00 0.00 N ATOM 625 CA THR A 40 9.719 -2.625 8.620 1.00 0.00 C ATOM 626 C THR A 40 9.015 -1.606 7.721 1.00 0.00 C ATOM 627 O THR A 40 8.267 -1.980 6.820 1.00 0.00 O ATOM 628 CB THR A 40 11.215 -2.760 8.331 1.00 0.00 C ATOM 629 OG1 THR A 40 11.265 -3.394 7.055 1.00 0.00 O ATOM 630 CG2 THR A 40 11.905 -3.752 9.268 1.00 0.00 C ATOM 0 H THR A 40 9.494 -4.498 7.710 1.00 0.00 H new ATOM 0 HA THR A 40 9.603 -2.249 9.637 1.00 0.00 H new ATOM 0 HB THR A 40 11.692 -1.784 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.200 -3.519 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.965 -3.810 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.791 -3.418 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.451 -4.736 9.154 1.00 0.00 H new ATOM 638 N GLU A 41 9.281 -0.338 7.998 1.00 0.00 N ATOM 639 CA GLU A 41 8.682 0.738 7.226 1.00 0.00 C ATOM 640 C GLU A 41 8.826 0.459 5.728 1.00 0.00 C ATOM 641 O GLU A 41 7.839 0.468 4.994 1.00 0.00 O ATOM 642 CB GLU A 41 9.302 2.088 7.594 1.00 0.00 C ATOM 643 CG GLU A 41 9.162 2.364 9.092 1.00 0.00 C ATOM 644 CD GLU A 41 9.563 3.803 9.424 1.00 0.00 C ATOM 645 OE1 GLU A 41 10.366 4.362 8.646 1.00 0.00 O ATOM 646 OE2 GLU A 41 9.057 4.312 10.448 1.00 0.00 O ATOM 0 H GLU A 41 9.903 -0.031 8.746 1.00 0.00 H new ATOM 0 HA GLU A 41 7.620 0.785 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.356 2.096 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.816 2.882 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.132 2.189 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.787 1.670 9.653 1.00 0.00 H new ATOM 653 N GLU A 42 10.063 0.219 5.319 1.00 0.00 N ATOM 654 CA GLU A 42 10.349 -0.062 3.923 1.00 0.00 C ATOM 655 C GLU A 42 9.485 -1.223 3.427 1.00 0.00 C ATOM 656 O GLU A 42 8.672 -1.054 2.519 1.00 0.00 O ATOM 657 CB GLU A 42 11.836 -0.357 3.715 1.00 0.00 C ATOM 658 CG GLU A 42 12.618 0.930 3.448 1.00 0.00 C ATOM 659 CD GLU A 42 14.092 0.764 3.826 1.00 0.00 C ATOM 660 OE1 GLU A 42 14.760 -0.057 3.162 1.00 0.00 O ATOM 661 OE2 GLU A 42 14.516 1.462 4.772 1.00 0.00 O ATOM 0 H GLU A 42 10.879 0.213 5.931 1.00 0.00 H new ATOM 0 HA GLU A 42 10.103 0.824 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.238 -0.855 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.961 -1.043 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.537 1.197 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.182 1.750 4.019 1.00 0.00 H new ATOM 668 N SER A 43 9.689 -2.377 4.046 1.00 0.00 N ATOM 669 CA SER A 43 8.938 -3.566 3.679 1.00 0.00 C ATOM 670 C SER A 43 7.483 -3.196 3.386 1.00 0.00 C ATOM 671 O SER A 43 6.977 -3.465 2.298 1.00 0.00 O ATOM 672 CB SER A 43 9.006 -4.622 4.783 1.00 0.00 C ATOM 673 OG SER A 43 10.086 -5.531 4.588 1.00 0.00 O ATOM 0 H SER A 43 10.363 -2.514 4.799 1.00 0.00 H new ATOM 0 HA SER A 43 9.386 -3.990 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.117 -4.130 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.067 -5.176 4.813 1.00 0.00 H new ATOM 0 HG SER A 43 10.096 -6.188 5.315 1.00 0.00 H new ATOM 679 N LEU A 44 6.850 -2.585 4.377 1.00 0.00 N ATOM 680 CA LEU A 44 5.462 -2.176 4.240 1.00 0.00 C ATOM 681 C LEU A 44 5.324 -1.260 3.023 1.00 0.00 C ATOM 682 O LEU A 44 4.437 -1.455 2.192 1.00 0.00 O ATOM 683 CB LEU A 44 4.957 -1.551 5.541 1.00 0.00 C ATOM 684 CG LEU A 44 3.481 -1.149 5.563 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.667 -2.097 6.445 1.00 0.00 C ATOM 686 CD2 LEU A 44 3.317 0.312 5.988 1.00 0.00 C ATOM 0 H LEU A 44 7.273 -2.363 5.278 1.00 0.00 H new ATOM 0 HA LEU A 44 4.825 -3.042 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.133 -2.257 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.557 -0.666 5.753 1.00 0.00 H new ATOM 0 HG LEU A 44 3.089 -1.236 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.622 -1.788 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.746 -3.113 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.052 -2.066 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.259 0.572 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.731 0.449 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.844 0.957 5.285 1.00 0.00 H new ATOM 698 N ARG A 45 6.213 -0.280 2.955 1.00 0.00 N ATOM 699 CA ARG A 45 6.200 0.667 1.853 1.00 0.00 C ATOM 700 C ARG A 45 6.283 -0.073 0.516 1.00 0.00 C ATOM 701 O ARG A 45 5.410 0.079 -0.336 1.00 0.00 O ATOM 702 CB ARG A 45 7.369 1.649 1.958 1.00 0.00 C ATOM 703 CG ARG A 45 7.011 2.833 2.858 1.00 0.00 C ATOM 704 CD ARG A 45 8.270 3.490 3.427 1.00 0.00 C ATOM 705 NE ARG A 45 9.137 3.962 2.324 1.00 0.00 N ATOM 706 CZ ARG A 45 10.423 4.306 2.474 1.00 0.00 C ATOM 707 NH1 ARG A 45 11.000 4.234 3.681 1.00 0.00 N ATOM 708 NH2 ARG A 45 11.133 4.723 1.416 1.00 0.00 N ATOM 0 H ARG A 45 6.947 -0.121 3.645 1.00 0.00 H new ATOM 0 HA ARG A 45 5.265 1.225 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.245 1.136 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.636 2.010 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.439 3.566 2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.373 2.494 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.995 4.327 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.813 2.778 4.048 1.00 0.00 H new ATOM 0 HE ARG A 45 8.730 4.030 1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.460 3.917 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.979 4.496 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.694 4.778 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.112 4.985 1.530 1.00 0.00 H new ATOM 722 N ASN A 46 7.341 -0.858 0.376 1.00 0.00 N ATOM 723 CA ASN A 46 7.549 -1.622 -0.842 1.00 0.00 C ATOM 724 C ASN A 46 6.218 -2.225 -1.295 1.00 0.00 C ATOM 725 O ASN A 46 6.002 -2.439 -2.487 1.00 0.00 O ATOM 726 CB ASN A 46 8.533 -2.771 -0.611 1.00 0.00 C ATOM 727 CG ASN A 46 8.763 -3.563 -1.900 1.00 0.00 C ATOM 728 OD1 ASN A 46 9.554 -3.195 -2.753 1.00 0.00 O ATOM 729 ND2 ASN A 46 8.031 -4.669 -1.992 1.00 0.00 N ATOM 0 H ASN A 46 8.063 -0.981 1.086 1.00 0.00 H new ATOM 0 HA ASN A 46 7.952 -0.947 -1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.482 -2.375 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.148 -3.434 0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.113 -5.268 -2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.388 -4.919 -1.241 1.00 0.00 H new ATOM 736 N TYR A 47 5.359 -2.482 -0.320 1.00 0.00 N ATOM 737 CA TYR A 47 4.054 -3.055 -0.603 1.00 0.00 C ATOM 738 C TYR A 47 3.028 -1.961 -0.904 1.00 0.00 C ATOM 739 O TYR A 47 2.354 -2.004 -1.932 1.00 0.00 O ATOM 740 CB TYR A 47 3.634 -3.796 0.669 1.00 0.00 C ATOM 741 CG TYR A 47 2.624 -4.920 0.429 1.00 0.00 C ATOM 742 CD1 TYR A 47 3.062 -6.172 0.049 1.00 0.00 C ATOM 743 CD2 TYR A 47 1.274 -4.681 0.593 1.00 0.00 C ATOM 744 CE1 TYR A 47 2.111 -7.229 -0.176 1.00 0.00 C ATOM 745 CE2 TYR A 47 0.324 -5.739 0.368 1.00 0.00 C ATOM 746 CZ TYR A 47 0.789 -6.961 -0.006 1.00 0.00 C ATOM 747 OH TYR A 47 -0.109 -7.960 -0.218 1.00 0.00 O ATOM 0 H TYR A 47 5.541 -2.304 0.668 1.00 0.00 H new ATOM 0 HA TYR A 47 4.103 -3.711 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.522 -4.214 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.205 -3.080 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.118 -6.359 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.931 -3.701 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.441 -8.214 -0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.735 -5.566 0.493 1.00 0.00 H new ATOM 0 HH TYR A 47 0.366 -8.777 -0.479 1.00 0.00 H new ATOM 757 N TYR A 48 2.941 -1.007 0.011 1.00 0.00 N ATOM 758 CA TYR A 48 2.009 0.096 -0.145 1.00 0.00 C ATOM 759 C TYR A 48 2.656 1.260 -0.899 1.00 0.00 C ATOM 760 O TYR A 48 2.327 2.420 -0.658 1.00 0.00 O ATOM 761 CB TYR A 48 1.658 0.555 1.272 1.00 0.00 C ATOM 762 CG TYR A 48 0.562 -0.275 1.942 1.00 0.00 C ATOM 763 CD1 TYR A 48 -0.764 0.074 1.781 1.00 0.00 C ATOM 764 CD2 TYR A 48 0.898 -1.374 2.707 1.00 0.00 C ATOM 765 CE1 TYR A 48 -1.796 -0.708 2.412 1.00 0.00 C ATOM 766 CE2 TYR A 48 -0.134 -2.156 3.337 1.00 0.00 C ATOM 767 CZ TYR A 48 -1.430 -1.784 3.159 1.00 0.00 C ATOM 768 OH TYR A 48 -2.405 -2.522 3.754 1.00 0.00 O ATOM 0 H TYR A 48 3.501 -0.975 0.863 1.00 0.00 H new ATOM 0 HA TYR A 48 1.133 -0.220 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.556 0.516 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.340 1.597 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.027 0.933 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.935 -1.647 2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.837 -0.446 2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.115 -3.018 3.937 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.978 -2.922 3.067 1.00 0.00 H new ATOM 778 N GLU A 49 3.564 0.908 -1.797 1.00 0.00 N ATOM 779 CA GLU A 49 4.260 1.908 -2.589 1.00 0.00 C ATOM 780 C GLU A 49 3.607 2.044 -3.966 1.00 0.00 C ATOM 781 O GLU A 49 3.624 3.121 -4.561 1.00 0.00 O ATOM 782 CB GLU A 49 5.746 1.568 -2.718 1.00 0.00 C ATOM 783 CG GLU A 49 6.598 2.494 -1.847 1.00 0.00 C ATOM 784 CD GLU A 49 7.858 2.940 -2.591 1.00 0.00 C ATOM 785 OE1 GLU A 49 8.776 2.099 -2.709 1.00 0.00 O ATOM 786 OE2 GLU A 49 7.876 4.113 -3.025 1.00 0.00 O ATOM 0 H GLU A 49 3.834 -0.056 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 49 4.183 2.867 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.912 0.532 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.054 1.657 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.013 3.367 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.877 1.979 -0.928 1.00 0.00 H new ATOM 793 N GLN A 50 3.047 0.938 -4.432 1.00 0.00 N ATOM 794 CA GLN A 50 2.390 0.920 -5.727 1.00 0.00 C ATOM 795 C GLN A 50 1.125 1.781 -5.693 1.00 0.00 C ATOM 796 O GLN A 50 0.953 2.671 -6.524 1.00 0.00 O ATOM 797 CB GLN A 50 2.067 -0.512 -6.159 1.00 0.00 C ATOM 798 CG GLN A 50 1.099 -1.175 -5.178 1.00 0.00 C ATOM 799 CD GLN A 50 1.090 -2.694 -5.360 1.00 0.00 C ATOM 800 OE1 GLN A 50 1.298 -3.217 -6.443 1.00 0.00 O ATOM 801 NE2 GLN A 50 0.837 -3.371 -4.243 1.00 0.00 N ATOM 0 H GLN A 50 3.035 0.047 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 50 3.073 1.341 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.630 -0.505 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.987 -1.094 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.386 -0.929 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.094 -0.781 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.672 -2.871 -3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.808 -4.390 -4.260 1.00 0.00 H new ATOM 810 N TRP A 51 0.273 1.485 -4.722 1.00 0.00 N ATOM 811 CA TRP A 51 -0.971 2.220 -4.568 1.00 0.00 C ATOM 812 C TRP A 51 -0.630 3.708 -4.461 1.00 0.00 C ATOM 813 O TRP A 51 -1.478 4.562 -4.713 1.00 0.00 O ATOM 814 CB TRP A 51 -1.769 1.702 -3.371 1.00 0.00 C ATOM 815 CG TRP A 51 -2.201 0.239 -3.496 1.00 0.00 C ATOM 816 CD1 TRP A 51 -2.896 -0.334 -4.488 1.00 0.00 C ATOM 817 CD2 TRP A 51 -1.935 -0.819 -2.552 1.00 0.00 C ATOM 818 NE1 TRP A 51 -3.097 -1.679 -4.254 1.00 0.00 N ATOM 819 CE2 TRP A 51 -2.494 -1.983 -3.039 1.00 0.00 C ATOM 820 CE3 TRP A 51 -1.245 -0.794 -1.328 1.00 0.00 C ATOM 821 CZ2 TRP A 51 -2.420 -3.209 -2.366 1.00 0.00 C ATOM 822 CZ3 TRP A 51 -1.180 -2.027 -0.667 1.00 0.00 C ATOM 823 CH2 TRP A 51 -1.738 -3.208 -1.143 1.00 0.00 C ATOM 0 H TRP A 51 0.420 0.746 -4.034 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.617 2.072 -5.434 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -1.167 1.817 -2.469 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.656 2.322 -3.243 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.254 0.191 -5.361 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.596 -2.330 -4.861 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.800 0.105 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -2.865 -4.107 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -0.660 -2.063 0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.646 -4.120 -0.572 1.00 0.00 H new ATOM 834 N GLY A 52 0.613 3.972 -4.087 1.00 0.00 N ATOM 835 CA GLY A 52 1.076 5.342 -3.944 1.00 0.00 C ATOM 836 C GLY A 52 2.380 5.399 -3.145 1.00 0.00 C ATOM 837 O GLY A 52 2.737 4.439 -2.464 1.00 0.00 O ATOM 0 H GLY A 52 1.314 3.261 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.229 5.783 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.312 5.938 -3.444 1.00 0.00 H new ATOM 841 N LYS A 53 3.054 6.534 -3.254 1.00 0.00 N ATOM 842 CA LYS A 53 4.311 6.729 -2.550 1.00 0.00 C ATOM 843 C LYS A 53 4.026 7.281 -1.152 1.00 0.00 C ATOM 844 O LYS A 53 3.592 8.423 -1.008 1.00 0.00 O ATOM 845 CB LYS A 53 5.257 7.603 -3.376 1.00 0.00 C ATOM 846 CG LYS A 53 6.163 6.745 -4.261 1.00 0.00 C ATOM 847 CD LYS A 53 6.209 7.289 -5.690 1.00 0.00 C ATOM 848 CE LYS A 53 4.950 6.900 -6.466 1.00 0.00 C ATOM 849 NZ LYS A 53 5.296 6.496 -7.848 1.00 0.00 N ATOM 0 H LYS A 53 2.754 7.328 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 53 4.827 5.778 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.678 8.286 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.866 8.215 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.170 6.723 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.800 5.717 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.305 8.375 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.090 6.902 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.441 6.081 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.256 7.740 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.430 6.235 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.761 7.288 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.941 5.680 -7.820 1.00 0.00 H new ATOM 863 N LEU A 54 4.283 6.445 -0.157 1.00 0.00 N ATOM 864 CA LEU A 54 4.060 6.835 1.225 1.00 0.00 C ATOM 865 C LEU A 54 5.056 7.932 1.607 1.00 0.00 C ATOM 866 O LEU A 54 6.212 7.645 1.917 1.00 0.00 O ATOM 867 CB LEU A 54 4.110 5.612 2.142 1.00 0.00 C ATOM 868 CG LEU A 54 3.335 4.382 1.662 1.00 0.00 C ATOM 869 CD1 LEU A 54 3.436 3.241 2.676 1.00 0.00 C ATOM 870 CD2 LEU A 54 1.882 4.739 1.343 1.00 0.00 C ATOM 0 H LEU A 54 4.644 5.499 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 54 3.061 7.254 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.153 5.328 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.726 5.900 3.120 1.00 0.00 H new ATOM 0 HG LEU A 54 3.790 4.031 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.877 2.379 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.482 2.965 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.021 3.565 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.354 3.847 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.398 5.129 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.857 5.495 0.559 1.00 0.00 H new ATOM 882 N THR A 55 4.572 9.165 1.574 1.00 0.00 N ATOM 883 CA THR A 55 5.406 10.305 1.914 1.00 0.00 C ATOM 884 C THR A 55 6.062 10.098 3.281 1.00 0.00 C ATOM 885 O THR A 55 7.099 10.691 3.572 1.00 0.00 O ATOM 886 CB THR A 55 4.538 11.563 1.840 1.00 0.00 C ATOM 887 OG1 THR A 55 3.479 11.309 2.759 1.00 0.00 O ATOM 888 CG2 THR A 55 3.834 11.711 0.490 1.00 0.00 C ATOM 0 H THR A 55 3.613 9.399 1.317 1.00 0.00 H new ATOM 0 HA THR A 55 6.229 10.418 1.208 1.00 0.00 H new ATOM 0 HB THR A 55 5.156 12.442 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.800 10.749 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.232 12.619 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.578 11.770 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.189 10.849 0.319 1.00 0.00 H new ATOM 896 N ASP A 56 5.429 9.255 4.083 1.00 0.00 N ATOM 897 CA ASP A 56 5.938 8.962 5.412 1.00 0.00 C ATOM 898 C ASP A 56 5.316 7.658 5.916 1.00 0.00 C ATOM 899 O ASP A 56 4.098 7.493 5.881 1.00 0.00 O ATOM 900 CB ASP A 56 5.572 10.073 6.399 1.00 0.00 C ATOM 901 CG ASP A 56 6.751 10.659 7.178 1.00 0.00 C ATOM 902 OD1 ASP A 56 7.849 10.722 6.584 1.00 0.00 O ATOM 903 OD2 ASP A 56 6.528 11.031 8.351 1.00 0.00 O ATOM 0 H ASP A 56 4.568 8.765 3.838 1.00 0.00 H new ATOM 0 HA ASP A 56 7.023 8.880 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.082 10.878 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.844 9.682 7.110 1.00 0.00 H new ATOM 908 N CYS A 57 6.181 6.766 6.374 1.00 0.00 N ATOM 909 CA CYS A 57 5.732 5.482 6.885 1.00 0.00 C ATOM 910 C CYS A 57 6.329 5.284 8.280 1.00 0.00 C ATOM 911 O CYS A 57 7.549 5.247 8.437 1.00 0.00 O ATOM 912 CB CYS A 57 6.100 4.337 5.939 1.00 0.00 C ATOM 913 SG CYS A 57 5.347 2.775 6.524 1.00 0.00 S ATOM 0 H CYS A 57 7.191 6.907 6.402 1.00 0.00 H new ATOM 0 HA CYS A 57 4.644 5.475 6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.753 4.562 4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.184 4.231 5.887 1.00 0.00 H new ATOM 0 HG CYS A 57 4.290 3.041 7.233 1.00 0.00 H new ATOM 919 N VAL A 58 5.442 5.161 9.256 1.00 0.00 N ATOM 920 CA VAL A 58 5.866 4.968 10.632 1.00 0.00 C ATOM 921 C VAL A 58 5.348 3.619 11.136 1.00 0.00 C ATOM 922 O VAL A 58 4.187 3.276 10.921 1.00 0.00 O ATOM 923 CB VAL A 58 5.404 6.145 11.493 1.00 0.00 C ATOM 924 CG1 VAL A 58 5.325 5.748 12.968 1.00 0.00 C ATOM 925 CG2 VAL A 58 6.317 7.358 11.299 1.00 0.00 C ATOM 0 H VAL A 58 4.431 5.191 9.121 1.00 0.00 H new ATOM 0 HA VAL A 58 6.954 4.944 10.696 1.00 0.00 H new ATOM 0 HB VAL A 58 4.402 6.425 11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.994 6.603 13.558 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.616 4.929 13.087 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.309 5.429 13.312 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.966 8.181 11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.336 7.096 11.584 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.300 7.663 10.253 1.00 0.00 H new ATOM 935 N VAL A 59 6.235 2.891 11.799 1.00 0.00 N ATOM 936 CA VAL A 59 5.882 1.588 12.335 1.00 0.00 C ATOM 937 C VAL A 59 6.166 1.566 13.839 1.00 0.00 C ATOM 938 O VAL A 59 7.319 1.651 14.258 1.00 0.00 O ATOM 939 CB VAL A 59 6.624 0.489 11.571 1.00 0.00 C ATOM 940 CG1 VAL A 59 8.132 0.573 11.815 1.00 0.00 C ATOM 941 CG2 VAL A 59 6.085 -0.895 11.940 1.00 0.00 C ATOM 0 H VAL A 59 7.197 3.179 11.977 1.00 0.00 H new ATOM 0 HA VAL A 59 4.817 1.396 12.202 1.00 0.00 H new ATOM 0 HB VAL A 59 6.448 0.644 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.635 -0.219 11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.501 1.542 11.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.335 0.456 12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.629 -1.658 11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.216 -1.063 13.009 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.025 -0.951 11.691 1.00 0.00 H new ATOM 951 N MET A 60 5.094 1.451 14.609 1.00 0.00 N ATOM 952 CA MET A 60 5.213 1.417 16.057 1.00 0.00 C ATOM 953 C MET A 60 5.917 0.140 16.519 1.00 0.00 C ATOM 954 O MET A 60 5.726 -0.925 15.934 1.00 0.00 O ATOM 955 CB MET A 60 3.820 1.489 16.686 1.00 0.00 C ATOM 956 CG MET A 60 3.240 2.900 16.573 1.00 0.00 C ATOM 957 SD MET A 60 4.286 4.062 17.435 1.00 0.00 S ATOM 958 CE MET A 60 5.220 4.716 16.061 1.00 0.00 C ATOM 0 H MET A 60 4.139 1.380 14.258 1.00 0.00 H new ATOM 0 HA MET A 60 5.809 2.273 16.374 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.157 0.779 16.192 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.875 1.197 17.735 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.155 3.184 15.524 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.234 2.923 16.992 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.276 4.764 16.328 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.094 4.068 15.194 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.861 5.717 15.821 1.00 0.00 H new ATOM 968 N ARG A 61 6.716 0.289 17.565 1.00 0.00 N ATOM 969 CA ARG A 61 7.450 -0.840 18.113 1.00 0.00 C ATOM 970 C ARG A 61 7.323 -0.866 19.638 1.00 0.00 C ATOM 971 O ARG A 61 7.198 0.181 20.271 1.00 0.00 O ATOM 972 CB ARG A 61 8.930 -0.772 17.732 1.00 0.00 C ATOM 973 CG ARG A 61 9.100 -0.413 16.255 1.00 0.00 C ATOM 974 CD ARG A 61 10.521 0.077 15.969 1.00 0.00 C ATOM 975 NE ARG A 61 10.604 1.539 16.179 1.00 0.00 N ATOM 976 CZ ARG A 61 11.702 2.271 15.944 1.00 0.00 C ATOM 977 NH1 ARG A 61 12.816 1.681 15.491 1.00 0.00 N ATOM 978 NH2 ARG A 61 11.685 3.593 16.162 1.00 0.00 N ATOM 0 H ARG A 61 6.872 1.174 18.048 1.00 0.00 H new ATOM 0 HA ARG A 61 7.020 -1.750 17.694 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.435 -0.030 18.351 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.406 -1.732 17.934 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.881 -1.284 15.638 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.383 0.360 15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.229 -0.433 16.622 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.800 -0.168 14.944 1.00 0.00 H new ATOM 0 HE ARG A 61 9.774 2.020 16.524 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.829 0.675 15.325 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.652 2.238 15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.837 4.042 16.507 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.520 4.150 15.983 1.00 0.00 H new ATOM 992 N ASP A 62 7.360 -2.073 20.182 1.00 0.00 N ATOM 993 CA ASP A 62 7.251 -2.249 21.620 1.00 0.00 C ATOM 994 C ASP A 62 8.081 -1.175 22.326 1.00 0.00 C ATOM 995 O ASP A 62 9.226 -0.925 21.952 1.00 0.00 O ATOM 996 CB ASP A 62 7.785 -3.617 22.050 1.00 0.00 C ATOM 997 CG ASP A 62 7.087 -4.815 21.403 1.00 0.00 C ATOM 998 OD1 ASP A 62 5.871 -4.693 21.145 1.00 0.00 O ATOM 999 OD2 ASP A 62 7.787 -5.827 21.181 1.00 0.00 O ATOM 0 H ASP A 62 7.464 -2.939 19.653 1.00 0.00 H new ATOM 0 HA ASP A 62 6.198 -2.172 21.890 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.849 -3.665 21.816 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.693 -3.703 23.133 1.00 0.00 H new ATOM 1004 N PRO A 63 7.455 -0.551 23.360 1.00 0.00 N ATOM 1005 CA PRO A 63 8.124 0.491 24.120 1.00 0.00 C ATOM 1006 C PRO A 63 9.168 -0.106 25.067 1.00 0.00 C ATOM 1007 O PRO A 63 9.972 0.622 25.648 1.00 0.00 O ATOM 1008 CB PRO A 63 7.009 1.221 24.851 1.00 0.00 C ATOM 1009 CG PRO A 63 5.816 0.279 24.840 1.00 0.00 C ATOM 1010 CD PRO A 63 6.099 -0.820 23.830 1.00 0.00 C ATOM 0 HA PRO A 63 8.686 1.179 23.488 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.305 1.464 25.871 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.768 2.162 24.356 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.656 -0.146 25.831 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.907 0.818 24.573 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.027 -1.807 24.288 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.383 -0.797 23.008 1.00 0.00 H new ATOM 1018 N ALA A 64 9.121 -1.424 25.193 1.00 0.00 N ATOM 1019 CA ALA A 64 10.053 -2.126 26.058 1.00 0.00 C ATOM 1020 C ALA A 64 10.990 -2.982 25.204 1.00 0.00 C ATOM 1021 O ALA A 64 12.191 -3.042 25.464 1.00 0.00 O ATOM 1022 CB ALA A 64 9.274 -2.957 27.080 1.00 0.00 C ATOM 0 H ALA A 64 8.452 -2.024 24.710 1.00 0.00 H new ATOM 0 HA ALA A 64 10.668 -1.418 26.614 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.973 -3.484 27.729 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.646 -2.299 27.681 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.647 -3.681 26.559 1.00 0.00 H new ATOM 1028 N SER A 65 10.406 -3.623 24.203 1.00 0.00 N ATOM 1029 CA SER A 65 11.174 -4.473 23.309 1.00 0.00 C ATOM 1030 C SER A 65 11.877 -3.620 22.251 1.00 0.00 C ATOM 1031 O SER A 65 13.003 -3.918 21.856 1.00 0.00 O ATOM 1032 CB SER A 65 10.279 -5.518 22.639 1.00 0.00 C ATOM 1033 OG SER A 65 10.639 -6.846 23.010 1.00 0.00 O ATOM 0 H SER A 65 9.410 -3.571 23.991 1.00 0.00 H new ATOM 0 HA SER A 65 11.924 -5.000 23.899 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.240 -5.334 22.912 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.347 -5.413 21.556 1.00 0.00 H new ATOM 0 HG SER A 65 10.044 -7.483 22.563 1.00 0.00 H new ATOM 1039 N LYS A 66 11.183 -2.576 21.822 1.00 0.00 N ATOM 1040 CA LYS A 66 11.728 -1.677 20.818 1.00 0.00 C ATOM 1041 C LYS A 66 11.975 -2.455 19.524 1.00 0.00 C ATOM 1042 O LYS A 66 12.905 -2.149 18.780 1.00 0.00 O ATOM 1043 CB LYS A 66 12.971 -0.965 21.354 1.00 0.00 C ATOM 1044 CG LYS A 66 12.601 0.372 22.001 1.00 0.00 C ATOM 1045 CD LYS A 66 13.385 1.523 21.369 1.00 0.00 C ATOM 1046 CE LYS A 66 13.674 2.620 22.396 1.00 0.00 C ATOM 1047 NZ LYS A 66 13.036 3.892 21.989 1.00 0.00 N ATOM 0 H LYS A 66 10.249 -2.332 22.151 1.00 0.00 H new ATOM 0 HA LYS A 66 11.013 -0.888 20.585 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.472 -1.600 22.085 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.677 -0.797 20.541 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.532 0.551 21.888 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.807 0.332 23.071 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.323 1.147 20.960 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.818 1.940 20.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.303 2.317 23.375 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.750 2.761 22.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.242 4.626 22.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.410 4.188 21.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.007 3.758 21.919 1.00 0.00 H new ATOM 1061 N ARG A 67 11.126 -3.447 19.296 1.00 0.00 N ATOM 1062 CA ARG A 67 11.240 -4.271 18.105 1.00 0.00 C ATOM 1063 C ARG A 67 10.147 -3.905 17.099 1.00 0.00 C ATOM 1064 O ARG A 67 10.436 -3.374 16.029 1.00 0.00 O ATOM 1065 CB ARG A 67 11.130 -5.757 18.451 1.00 0.00 C ATOM 1066 CG ARG A 67 12.325 -6.216 19.288 1.00 0.00 C ATOM 1067 CD ARG A 67 12.824 -7.587 18.827 1.00 0.00 C ATOM 1068 NE ARG A 67 13.866 -8.084 19.752 1.00 0.00 N ATOM 1069 CZ ARG A 67 13.610 -8.641 20.943 1.00 0.00 C ATOM 1070 NH1 ARG A 67 12.344 -8.776 21.361 1.00 0.00 N ATOM 1071 NH2 ARG A 67 14.619 -9.064 21.717 1.00 0.00 N ATOM 0 H ARG A 67 10.356 -3.698 19.916 1.00 0.00 H new ATOM 0 HA ARG A 67 12.220 -4.084 17.665 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.206 -5.939 19.000 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.077 -6.344 17.534 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.131 -5.486 19.208 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.040 -6.263 20.339 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.993 -8.292 18.790 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.227 -7.516 17.817 1.00 0.00 H new ATOM 0 HE ARG A 67 14.841 -7.997 19.465 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.576 -8.455 20.772 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.149 -9.200 22.268 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.583 -8.962 21.399 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.423 -9.488 22.624 1.00 0.00 H new ATOM 1085 N SER A 68 8.913 -4.205 17.480 1.00 0.00 N ATOM 1086 CA SER A 68 7.775 -3.915 16.625 1.00 0.00 C ATOM 1087 C SER A 68 6.472 -4.116 17.401 1.00 0.00 C ATOM 1088 O SER A 68 6.400 -4.964 18.290 1.00 0.00 O ATOM 1089 CB SER A 68 7.788 -4.794 15.373 1.00 0.00 C ATOM 1090 OG SER A 68 6.665 -4.542 14.532 1.00 0.00 O ATOM 0 H SER A 68 8.677 -4.646 18.369 1.00 0.00 H new ATOM 0 HA SER A 68 7.844 -2.875 16.306 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.707 -4.615 14.814 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.793 -5.844 15.667 1.00 0.00 H new ATOM 0 HG SER A 68 6.857 -4.861 13.626 1.00 0.00 H new ATOM 1096 N ARG A 69 5.476 -3.322 17.038 1.00 0.00 N ATOM 1097 CA ARG A 69 4.179 -3.402 17.690 1.00 0.00 C ATOM 1098 C ARG A 69 3.214 -4.240 16.849 1.00 0.00 C ATOM 1099 O ARG A 69 2.434 -5.023 17.389 1.00 0.00 O ATOM 1100 CB ARG A 69 3.583 -2.010 17.904 1.00 0.00 C ATOM 1101 CG ARG A 69 3.961 -1.457 19.279 1.00 0.00 C ATOM 1102 CD ARG A 69 2.722 -0.967 20.032 1.00 0.00 C ATOM 1103 NE ARG A 69 2.969 -1.003 21.491 1.00 0.00 N ATOM 1104 CZ ARG A 69 2.804 -2.092 22.254 1.00 0.00 C ATOM 1105 NH1 ARG A 69 2.389 -3.240 21.702 1.00 0.00 N ATOM 1106 NH2 ARG A 69 3.052 -2.032 23.570 1.00 0.00 N ATOM 0 H ARG A 69 5.540 -2.620 16.301 1.00 0.00 H new ATOM 0 HA ARG A 69 4.324 -3.875 18.661 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.939 -1.335 17.126 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.498 -2.057 17.813 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.462 -2.230 19.861 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.669 -0.636 19.163 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.476 0.048 19.722 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.865 -1.593 19.784 1.00 0.00 H new ATOM 0 HE ARG A 69 3.285 -0.145 21.944 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.199 -3.285 20.701 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.263 -4.069 22.283 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.366 -1.157 23.990 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.926 -2.861 24.151 1.00 0.00 H new ATOM 1120 N GLY A 70 3.297 -4.046 15.541 1.00 0.00 N ATOM 1121 CA GLY A 70 2.440 -4.774 14.621 1.00 0.00 C ATOM 1122 C GLY A 70 1.464 -3.829 13.917 1.00 0.00 C ATOM 1123 O GLY A 70 0.520 -4.276 13.269 1.00 0.00 O ATOM 0 H GLY A 70 3.945 -3.395 15.097 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.051 -5.290 13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.884 -5.539 15.164 1.00 0.00 H new ATOM 1127 N PHE A 71 1.726 -2.539 14.069 1.00 0.00 N ATOM 1128 CA PHE A 71 0.882 -1.527 13.456 1.00 0.00 C ATOM 1129 C PHE A 71 1.638 -0.207 13.294 1.00 0.00 C ATOM 1130 O PHE A 71 2.564 0.080 14.053 1.00 0.00 O ATOM 1131 CB PHE A 71 -0.307 -1.308 14.394 1.00 0.00 C ATOM 1132 CG PHE A 71 -0.037 -0.305 15.518 1.00 0.00 C ATOM 1133 CD1 PHE A 71 -0.038 1.029 15.254 1.00 0.00 C ATOM 1134 CD2 PHE A 71 0.205 -0.748 16.781 1.00 0.00 C ATOM 1135 CE1 PHE A 71 0.213 1.959 16.297 1.00 0.00 C ATOM 1136 CE2 PHE A 71 0.456 0.182 17.824 1.00 0.00 C ATOM 1137 CZ PHE A 71 0.455 1.516 17.560 1.00 0.00 C ATOM 0 H PHE A 71 2.510 -2.171 14.607 1.00 0.00 H new ATOM 0 HA PHE A 71 0.565 -1.857 12.467 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.159 -0.962 13.809 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.590 -2.264 14.834 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.230 1.381 14.251 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.206 -1.807 16.991 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.212 3.018 16.087 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.648 -0.170 18.827 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.646 2.224 18.353 1.00 0.00 H new ATOM 1147 N GLY A 72 1.217 0.562 12.301 1.00 0.00 N ATOM 1148 CA GLY A 72 1.843 1.845 12.030 1.00 0.00 C ATOM 1149 C GLY A 72 0.928 2.734 11.185 1.00 0.00 C ATOM 1150 O GLY A 72 -0.285 2.537 11.161 1.00 0.00 O ATOM 0 H GLY A 72 0.450 0.321 11.674 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.076 2.346 12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.788 1.690 11.509 1.00 0.00 H new ATOM 1154 N PHE A 73 1.546 3.693 10.511 1.00 0.00 N ATOM 1155 CA PHE A 73 0.803 4.612 9.667 1.00 0.00 C ATOM 1156 C PHE A 73 1.500 4.804 8.318 1.00 0.00 C ATOM 1157 O PHE A 73 2.720 4.674 8.222 1.00 0.00 O ATOM 1158 CB PHE A 73 0.758 5.955 10.399 1.00 0.00 C ATOM 1159 CG PHE A 73 0.576 5.832 11.913 1.00 0.00 C ATOM 1160 CD1 PHE A 73 1.624 5.460 12.696 1.00 0.00 C ATOM 1161 CD2 PHE A 73 -0.634 6.095 12.477 1.00 0.00 C ATOM 1162 CE1 PHE A 73 1.456 5.346 14.101 1.00 0.00 C ATOM 1163 CE2 PHE A 73 -0.802 5.981 13.882 1.00 0.00 C ATOM 1164 CZ PHE A 73 0.246 5.609 14.665 1.00 0.00 C ATOM 0 H PHE A 73 2.553 3.853 10.533 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.195 4.218 9.477 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.681 6.498 10.197 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.059 6.552 9.992 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.585 5.251 12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.467 6.390 11.856 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.289 5.051 14.722 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.763 6.190 14.329 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.118 5.522 15.734 1.00 0.00 H new ATOM 1174 N VAL A 74 0.696 5.109 7.311 1.00 0.00 N ATOM 1175 CA VAL A 74 1.220 5.320 5.972 1.00 0.00 C ATOM 1176 C VAL A 74 0.578 6.571 5.368 1.00 0.00 C ATOM 1177 O VAL A 74 -0.619 6.585 5.089 1.00 0.00 O ATOM 1178 CB VAL A 74 1.003 4.067 5.122 1.00 0.00 C ATOM 1179 CG1 VAL A 74 1.907 2.924 5.589 1.00 0.00 C ATOM 1180 CG2 VAL A 74 -0.467 3.643 5.135 1.00 0.00 C ATOM 0 H VAL A 74 -0.315 5.215 7.395 1.00 0.00 H new ATOM 0 HA VAL A 74 2.296 5.491 6.006 1.00 0.00 H new ATOM 0 HB VAL A 74 1.273 4.309 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.733 2.045 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.950 3.227 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.683 2.684 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.594 2.750 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.775 3.428 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.082 4.448 4.733 1.00 0.00 H new ATOM 1190 N THR A 75 1.404 7.591 5.185 1.00 0.00 N ATOM 1191 CA THR A 75 0.931 8.843 4.620 1.00 0.00 C ATOM 1192 C THR A 75 1.208 8.887 3.115 1.00 0.00 C ATOM 1193 O THR A 75 2.343 9.108 2.695 1.00 0.00 O ATOM 1194 CB THR A 75 1.589 9.988 5.392 1.00 0.00 C ATOM 1195 OG1 THR A 75 1.593 9.538 6.744 1.00 0.00 O ATOM 1196 CG2 THR A 75 0.722 11.249 5.422 1.00 0.00 C ATOM 0 H THR A 75 2.397 7.576 5.418 1.00 0.00 H new ATOM 0 HA THR A 75 -0.150 8.941 4.723 1.00 0.00 H new ATOM 0 HB THR A 75 2.554 10.221 4.942 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.005 10.220 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.236 12.030 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.542 11.591 4.403 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.230 11.024 5.902 1.00 0.00 H new ATOM 1204 N PHE A 76 0.151 8.674 2.345 1.00 0.00 N ATOM 1205 CA PHE A 76 0.266 8.686 0.897 1.00 0.00 C ATOM 1206 C PHE A 76 0.563 10.096 0.383 1.00 0.00 C ATOM 1207 O PHE A 76 0.752 11.021 1.171 1.00 0.00 O ATOM 1208 CB PHE A 76 -1.082 8.226 0.338 1.00 0.00 C ATOM 1209 CG PHE A 76 -1.211 6.708 0.198 1.00 0.00 C ATOM 1210 CD1 PHE A 76 -0.643 6.072 -0.862 1.00 0.00 C ATOM 1211 CD2 PHE A 76 -1.894 5.994 1.132 1.00 0.00 C ATOM 1212 CE1 PHE A 76 -0.763 4.663 -0.992 1.00 0.00 C ATOM 1213 CE2 PHE A 76 -2.014 4.585 1.002 1.00 0.00 C ATOM 1214 CZ PHE A 76 -1.446 3.949 -0.057 1.00 0.00 C ATOM 0 H PHE A 76 -0.789 8.492 2.697 1.00 0.00 H new ATOM 0 HA PHE A 76 1.081 8.034 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.877 8.590 0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.235 8.685 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.101 6.639 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.346 6.499 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.312 4.158 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.557 4.019 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.537 2.877 -0.156 1.00 0.00 H new ATOM 1224 N SER A 77 0.593 10.216 -0.936 1.00 0.00 N ATOM 1225 CA SER A 77 0.864 11.498 -1.565 1.00 0.00 C ATOM 1226 C SER A 77 -0.451 12.209 -1.891 1.00 0.00 C ATOM 1227 O SER A 77 -0.647 13.363 -1.512 1.00 0.00 O ATOM 1228 CB SER A 77 1.701 11.323 -2.834 1.00 0.00 C ATOM 1229 OG SER A 77 2.256 12.557 -3.282 1.00 0.00 O ATOM 0 H SER A 77 0.434 9.447 -1.587 1.00 0.00 H new ATOM 0 HA SER A 77 1.436 12.108 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.505 10.612 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.080 10.897 -3.622 1.00 0.00 H new ATOM 0 HG SER A 77 2.784 12.403 -4.093 1.00 0.00 H new ATOM 1235 N SER A 78 -1.318 11.491 -2.590 1.00 0.00 N ATOM 1236 CA SER A 78 -2.608 12.039 -2.971 1.00 0.00 C ATOM 1237 C SER A 78 -3.733 11.203 -2.356 1.00 0.00 C ATOM 1238 O SER A 78 -3.489 10.119 -1.829 1.00 0.00 O ATOM 1239 CB SER A 78 -2.757 12.092 -4.493 1.00 0.00 C ATOM 1240 OG SER A 78 -1.813 12.976 -5.091 1.00 0.00 O ATOM 0 H SER A 78 -1.152 10.534 -2.902 1.00 0.00 H new ATOM 0 HA SER A 78 -2.672 13.059 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.628 11.091 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.767 12.414 -4.747 1.00 0.00 H new ATOM 0 HG SER A 78 -1.939 12.981 -6.063 1.00 0.00 H new ATOM 1246 N MET A 79 -4.942 11.740 -2.445 1.00 0.00 N ATOM 1247 CA MET A 79 -6.105 11.058 -1.904 1.00 0.00 C ATOM 1248 C MET A 79 -6.437 9.808 -2.723 1.00 0.00 C ATOM 1249 O MET A 79 -6.752 8.760 -2.162 1.00 0.00 O ATOM 1250 CB MET A 79 -7.304 12.008 -1.913 1.00 0.00 C ATOM 1251 CG MET A 79 -8.230 11.732 -0.727 1.00 0.00 C ATOM 1252 SD MET A 79 -7.974 12.958 0.546 1.00 0.00 S ATOM 1253 CE MET A 79 -8.135 11.934 1.999 1.00 0.00 C ATOM 0 H MET A 79 -5.140 12.639 -2.884 1.00 0.00 H new ATOM 0 HA MET A 79 -5.881 10.752 -0.882 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.955 13.040 -1.874 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.857 11.893 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 79 -9.269 11.748 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 79 -8.037 10.736 -0.328 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.216 12.567 2.883 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.029 11.317 1.912 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.259 11.292 2.091 1.00 0.00 H new ATOM 1263 N ALA A 80 -6.356 9.961 -4.036 1.00 0.00 N ATOM 1264 CA ALA A 80 -6.644 8.859 -4.938 1.00 0.00 C ATOM 1265 C ALA A 80 -5.856 7.624 -4.494 1.00 0.00 C ATOM 1266 O ALA A 80 -6.443 6.597 -4.158 1.00 0.00 O ATOM 1267 CB ALA A 80 -6.317 9.274 -6.373 1.00 0.00 C ATOM 0 H ALA A 80 -6.095 10.832 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.703 8.604 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.533 8.447 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.923 10.137 -6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.261 9.535 -6.445 1.00 0.00 H new ATOM 1273 N GLU A 81 -4.539 7.765 -4.509 1.00 0.00 N ATOM 1274 CA GLU A 81 -3.664 6.675 -4.113 1.00 0.00 C ATOM 1275 C GLU A 81 -4.204 5.993 -2.853 1.00 0.00 C ATOM 1276 O GLU A 81 -4.575 4.821 -2.888 1.00 0.00 O ATOM 1277 CB GLU A 81 -2.233 7.170 -3.898 1.00 0.00 C ATOM 1278 CG GLU A 81 -1.619 7.658 -5.211 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.920 6.684 -6.353 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -3.045 6.771 -6.891 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -1.018 5.876 -6.662 1.00 0.00 O ATOM 0 H GLU A 81 -4.056 8.619 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.641 5.942 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.230 7.979 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.624 6.366 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.013 8.644 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.541 7.765 -5.095 1.00 0.00 H new ATOM 1288 N VAL A 82 -4.229 6.757 -1.771 1.00 0.00 N ATOM 1289 CA VAL A 82 -4.717 6.241 -0.503 1.00 0.00 C ATOM 1290 C VAL A 82 -6.115 5.652 -0.700 1.00 0.00 C ATOM 1291 O VAL A 82 -6.478 4.673 -0.050 1.00 0.00 O ATOM 1292 CB VAL A 82 -4.676 7.341 0.560 1.00 0.00 C ATOM 1293 CG1 VAL A 82 -5.475 8.566 0.112 1.00 0.00 C ATOM 1294 CG2 VAL A 82 -5.180 6.821 1.907 1.00 0.00 C ATOM 0 H VAL A 82 -3.920 7.729 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.074 5.437 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.637 7.646 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.430 9.333 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.052 8.958 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.514 8.281 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.140 7.623 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.208 6.475 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.551 5.994 2.236 1.00 0.00 H new ATOM 1304 N ASP A 83 -6.862 6.274 -1.601 1.00 0.00 N ATOM 1305 CA ASP A 83 -8.213 5.823 -1.892 1.00 0.00 C ATOM 1306 C ASP A 83 -8.163 4.392 -2.431 1.00 0.00 C ATOM 1307 O ASP A 83 -9.047 3.586 -2.144 1.00 0.00 O ATOM 1308 CB ASP A 83 -8.871 6.706 -2.954 1.00 0.00 C ATOM 1309 CG ASP A 83 -10.214 7.315 -2.547 1.00 0.00 C ATOM 1310 OD1 ASP A 83 -10.739 6.882 -1.499 1.00 0.00 O ATOM 1311 OD2 ASP A 83 -10.684 8.201 -3.293 1.00 0.00 O ATOM 0 H ASP A 83 -6.558 7.086 -2.139 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.792 5.875 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.185 7.514 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.016 6.114 -3.858 1.00 0.00 H new ATOM 1316 N ALA A 84 -7.121 4.120 -3.202 1.00 0.00 N ATOM 1317 CA ALA A 84 -6.945 2.800 -3.784 1.00 0.00 C ATOM 1318 C ALA A 84 -6.662 1.790 -2.670 1.00 0.00 C ATOM 1319 O ALA A 84 -7.342 0.771 -2.564 1.00 0.00 O ATOM 1320 CB ALA A 84 -5.825 2.847 -4.826 1.00 0.00 C ATOM 0 H ALA A 84 -6.390 4.791 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.853 2.482 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.693 1.857 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.087 3.557 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.897 3.160 -4.348 1.00 0.00 H new ATOM 1326 N ALA A 85 -5.658 2.108 -1.867 1.00 0.00 N ATOM 1327 CA ALA A 85 -5.277 1.241 -0.764 1.00 0.00 C ATOM 1328 C ALA A 85 -6.520 0.893 0.058 1.00 0.00 C ATOM 1329 O ALA A 85 -6.642 -0.222 0.562 1.00 0.00 O ATOM 1330 CB ALA A 85 -4.196 1.926 0.074 1.00 0.00 C ATOM 0 H ALA A 85 -5.096 2.954 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.857 0.307 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.910 1.276 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.324 2.125 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.582 2.866 0.468 1.00 0.00 H new ATOM 1336 N MET A 86 -7.410 1.868 0.167 1.00 0.00 N ATOM 1337 CA MET A 86 -8.639 1.679 0.919 1.00 0.00 C ATOM 1338 C MET A 86 -9.491 0.566 0.305 1.00 0.00 C ATOM 1339 O MET A 86 -10.242 -0.105 1.010 1.00 0.00 O ATOM 1340 CB MET A 86 -9.436 2.985 0.932 1.00 0.00 C ATOM 1341 CG MET A 86 -8.608 4.127 1.525 1.00 0.00 C ATOM 1342 SD MET A 86 -9.407 4.763 2.989 1.00 0.00 S ATOM 1343 CE MET A 86 -9.105 3.414 4.118 1.00 0.00 C ATOM 0 H MET A 86 -7.305 2.792 -0.253 1.00 0.00 H new ATOM 0 HA MET A 86 -8.379 1.392 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.739 3.240 -0.083 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.348 2.853 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.607 3.772 1.772 1.00 0.00 H new ATOM 0 HG3 MET A 86 -8.491 4.923 0.789 1.00 0.00 H new ATOM 0 HE1 MET A 86 -10.020 2.835 4.246 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.322 2.771 3.716 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.789 3.811 5.083 1.00 0.00 H new ATOM 1353 N ALA A 87 -9.346 0.406 -1.002 1.00 0.00 N ATOM 1354 CA ALA A 87 -10.094 -0.613 -1.718 1.00 0.00 C ATOM 1355 C ALA A 87 -9.118 -1.527 -2.462 1.00 0.00 C ATOM 1356 O ALA A 87 -9.383 -1.936 -3.591 1.00 0.00 O ATOM 1357 CB ALA A 87 -11.098 0.056 -2.659 1.00 0.00 C ATOM 0 H ALA A 87 -8.722 0.965 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.661 -1.232 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.659 -0.709 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.786 0.671 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.565 0.683 -3.373 1.00 0.00 H new ATOM 1363 N ALA A 88 -8.009 -1.820 -1.798 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.992 -2.678 -2.382 1.00 0.00 C ATOM 1365 C ALA A 88 -6.976 -4.018 -1.645 1.00 0.00 C ATOM 1366 O ALA A 88 -6.506 -5.020 -2.181 1.00 0.00 O ATOM 1367 CB ALA A 88 -5.636 -1.970 -2.333 1.00 0.00 C ATOM 0 H ALA A 88 -7.793 -1.478 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.217 -2.880 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.873 -2.614 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.691 -1.038 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.376 -1.753 -1.297 1.00 0.00 H new ATOM 1373 N ARG A 89 -7.497 -3.993 -0.427 1.00 0.00 N ATOM 1374 CA ARG A 89 -7.549 -5.194 0.390 1.00 0.00 C ATOM 1375 C ARG A 89 -8.074 -6.373 -0.433 1.00 0.00 C ATOM 1376 O ARG A 89 -8.701 -6.178 -1.473 1.00 0.00 O ATOM 1377 CB ARG A 89 -8.449 -4.991 1.610 1.00 0.00 C ATOM 1378 CG ARG A 89 -7.622 -4.656 2.852 1.00 0.00 C ATOM 1379 CD ARG A 89 -8.397 -4.977 4.132 1.00 0.00 C ATOM 1380 NE ARG A 89 -9.222 -3.814 4.529 1.00 0.00 N ATOM 1381 CZ ARG A 89 -10.454 -3.571 4.062 1.00 0.00 C ATOM 1382 NH1 ARG A 89 -11.012 -4.409 3.177 1.00 0.00 N ATOM 1383 NH2 ARG A 89 -11.128 -2.491 4.479 1.00 0.00 N ATOM 0 H ARG A 89 -7.887 -3.160 0.014 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.536 -5.407 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.158 -4.187 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.033 -5.894 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.690 -5.221 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.354 -3.599 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.033 -5.848 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.703 -5.232 4.933 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.827 -3.156 5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.499 -5.231 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.950 -4.224 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.703 -1.853 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.066 -2.306 4.123 1.00 0.00 H new ATOM 1397 N PRO A 90 -7.792 -7.601 0.078 1.00 0.00 N ATOM 1398 CA PRO A 90 -7.044 -7.743 1.316 1.00 0.00 C ATOM 1399 C PRO A 90 -5.558 -7.455 1.095 1.00 0.00 C ATOM 1400 O PRO A 90 -5.132 -7.201 -0.031 1.00 0.00 O ATOM 1401 CB PRO A 90 -7.311 -9.167 1.776 1.00 0.00 C ATOM 1402 CG PRO A 90 -7.815 -9.913 0.551 1.00 0.00 C ATOM 1403 CD PRO A 90 -8.175 -8.882 -0.507 1.00 0.00 C ATOM 0 HA PRO A 90 -7.353 -7.028 2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.404 -9.627 2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.050 -9.187 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.050 -10.593 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.684 -10.520 0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.640 -9.067 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.240 -8.909 -0.740 1.00 0.00 H new ATOM 1411 N HIS A 91 -4.810 -7.503 2.187 1.00 0.00 N ATOM 1412 CA HIS A 91 -3.380 -7.251 2.127 1.00 0.00 C ATOM 1413 C HIS A 91 -2.645 -8.242 3.031 1.00 0.00 C ATOM 1414 O HIS A 91 -3.039 -8.453 4.177 1.00 0.00 O ATOM 1415 CB HIS A 91 -3.071 -5.792 2.471 1.00 0.00 C ATOM 1416 CG HIS A 91 -3.586 -4.799 1.457 1.00 0.00 C ATOM 1417 ND1 HIS A 91 -3.996 -3.522 1.799 1.00 0.00 N ATOM 1418 CD2 HIS A 91 -3.752 -4.908 0.108 1.00 0.00 C ATOM 1419 CE1 HIS A 91 -4.390 -2.900 0.698 1.00 0.00 C ATOM 1420 NE2 HIS A 91 -4.238 -3.761 -0.349 1.00 0.00 N ATOM 0 H HIS A 91 -5.167 -7.713 3.119 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.022 -7.408 1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.504 -5.559 3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.992 -5.673 2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.526 -5.780 -0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.766 -1.889 0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.461 -3.557 -1.323 1.00 0.00 H new ATOM 1428 N SER A 92 -1.589 -8.824 2.482 1.00 0.00 N ATOM 1429 CA SER A 92 -0.795 -9.788 3.224 1.00 0.00 C ATOM 1430 C SER A 92 0.643 -9.286 3.363 1.00 0.00 C ATOM 1431 O SER A 92 1.319 -9.044 2.364 1.00 0.00 O ATOM 1432 CB SER A 92 -0.816 -11.159 2.544 1.00 0.00 C ATOM 1433 OG SER A 92 -0.693 -11.054 1.129 1.00 0.00 O ATOM 0 H SER A 92 -1.265 -8.646 1.531 1.00 0.00 H new ATOM 0 HA SER A 92 -1.231 -9.898 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.002 -11.770 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.746 -11.672 2.790 1.00 0.00 H new ATOM 0 HG SER A 92 0.018 -10.417 0.909 1.00 0.00 H new ATOM 1439 N ILE A 93 1.069 -9.144 4.609 1.00 0.00 N ATOM 1440 CA ILE A 93 2.415 -8.675 4.891 1.00 0.00 C ATOM 1441 C ILE A 93 3.086 -9.628 5.883 1.00 0.00 C ATOM 1442 O ILE A 93 2.457 -10.076 6.840 1.00 0.00 O ATOM 1443 CB ILE A 93 2.388 -7.219 5.360 1.00 0.00 C ATOM 1444 CG1 ILE A 93 1.379 -6.401 4.552 1.00 0.00 C ATOM 1445 CG2 ILE A 93 3.788 -6.604 5.320 1.00 0.00 C ATOM 1446 CD1 ILE A 93 1.712 -6.441 3.059 1.00 0.00 C ATOM 0 H ILE A 93 0.506 -9.346 5.435 1.00 0.00 H new ATOM 0 HA ILE A 93 3.018 -8.682 3.983 1.00 0.00 H new ATOM 0 HB ILE A 93 2.058 -7.201 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.375 -6.792 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.380 -5.368 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.740 -5.569 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.452 -7.169 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.170 -6.635 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.980 -5.852 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.707 -6.027 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.687 -7.473 2.708 1.00 0.00 H new ATOM 1458 N ASP A 94 4.353 -9.910 5.619 1.00 0.00 N ATOM 1459 CA ASP A 94 5.116 -10.802 6.476 1.00 0.00 C ATOM 1460 C ASP A 94 4.513 -12.206 6.409 1.00 0.00 C ATOM 1461 O ASP A 94 4.852 -13.071 7.216 1.00 0.00 O ATOM 1462 CB ASP A 94 5.070 -10.337 7.933 1.00 0.00 C ATOM 1463 CG ASP A 94 6.272 -10.755 8.783 1.00 0.00 C ATOM 1464 OD1 ASP A 94 6.493 -11.980 8.890 1.00 0.00 O ATOM 1465 OD2 ASP A 94 6.943 -9.839 9.305 1.00 0.00 O ATOM 0 H ASP A 94 4.871 -9.537 4.824 1.00 0.00 H new ATOM 0 HA ASP A 94 6.149 -10.802 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.993 -9.250 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.164 -10.728 8.395 1.00 0.00 H new ATOM 1470 N GLY A 95 3.629 -12.390 5.439 1.00 0.00 N ATOM 1471 CA GLY A 95 2.976 -13.675 5.255 1.00 0.00 C ATOM 1472 C GLY A 95 1.730 -13.787 6.136 1.00 0.00 C ATOM 1473 O GLY A 95 1.239 -14.887 6.387 1.00 0.00 O ATOM 0 H GLY A 95 3.350 -11.670 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.698 -13.799 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.671 -14.479 5.498 1.00 0.00 H new ATOM 1477 N ARG A 96 1.254 -12.634 6.582 1.00 0.00 N ATOM 1478 CA ARG A 96 0.074 -12.588 7.429 1.00 0.00 C ATOM 1479 C ARG A 96 -0.965 -11.631 6.841 1.00 0.00 C ATOM 1480 O ARG A 96 -0.617 -10.702 6.115 1.00 0.00 O ATOM 1481 CB ARG A 96 0.431 -12.135 8.846 1.00 0.00 C ATOM 1482 CG ARG A 96 0.870 -10.670 8.859 1.00 0.00 C ATOM 1483 CD ARG A 96 0.259 -9.925 10.048 1.00 0.00 C ATOM 1484 NE ARG A 96 0.504 -10.680 11.297 1.00 0.00 N ATOM 1485 CZ ARG A 96 -0.227 -10.545 12.412 1.00 0.00 C ATOM 1486 NH1 ARG A 96 -1.254 -9.684 12.440 1.00 0.00 N ATOM 1487 NH2 ARG A 96 0.067 -11.271 13.499 1.00 0.00 N ATOM 0 H ARG A 96 1.664 -11.724 6.373 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.340 -13.595 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.430 -12.266 9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.231 -12.761 9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.957 -10.613 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.568 -10.188 7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.692 -8.928 10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.813 -9.796 9.895 1.00 0.00 H new ATOM 0 HE ARG A 96 1.278 -11.345 11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.479 -9.132 11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.810 -9.581 13.289 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.848 -11.927 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.490 -11.168 14.347 1.00 0.00 H new ATOM 1501 N VAL A 97 -2.220 -11.892 7.178 1.00 0.00 N ATOM 1502 CA VAL A 97 -3.312 -11.065 6.693 1.00 0.00 C ATOM 1503 C VAL A 97 -3.430 -9.817 7.571 1.00 0.00 C ATOM 1504 O VAL A 97 -3.924 -9.889 8.695 1.00 0.00 O ATOM 1505 CB VAL A 97 -4.604 -11.883 6.640 1.00 0.00 C ATOM 1506 CG1 VAL A 97 -5.698 -11.131 5.880 1.00 0.00 C ATOM 1507 CG2 VAL A 97 -4.355 -13.261 6.022 1.00 0.00 C ATOM 0 H VAL A 97 -2.505 -12.664 7.781 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.114 -10.729 5.675 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.949 -12.032 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.605 -11.734 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.904 -10.185 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.365 -10.937 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.289 -13.822 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.975 -13.141 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.623 -13.802 6.622 1.00 0.00 H new ATOM 1517 N VAL A 98 -2.968 -8.702 7.024 1.00 0.00 N ATOM 1518 CA VAL A 98 -3.016 -7.441 7.743 1.00 0.00 C ATOM 1519 C VAL A 98 -4.373 -6.775 7.507 1.00 0.00 C ATOM 1520 O VAL A 98 -5.220 -7.318 6.799 1.00 0.00 O ATOM 1521 CB VAL A 98 -1.837 -6.558 7.329 1.00 0.00 C ATOM 1522 CG1 VAL A 98 -0.559 -7.385 7.178 1.00 0.00 C ATOM 1523 CG2 VAL A 98 -2.150 -5.792 6.042 1.00 0.00 C ATOM 0 H VAL A 98 -2.559 -8.646 6.091 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.919 -7.609 8.816 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.672 -5.828 8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.263 -6.733 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.321 -7.863 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.708 -8.149 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.295 -5.172 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.355 -6.499 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.023 -5.158 6.199 1.00 0.00 H new ATOM 1533 N GLU A 99 -4.538 -5.609 8.114 1.00 0.00 N ATOM 1534 CA GLU A 99 -5.778 -4.864 7.979 1.00 0.00 C ATOM 1535 C GLU A 99 -5.526 -3.370 8.198 1.00 0.00 C ATOM 1536 O GLU A 99 -5.259 -2.940 9.319 1.00 0.00 O ATOM 1537 CB GLU A 99 -6.841 -5.388 8.946 1.00 0.00 C ATOM 1538 CG GLU A 99 -6.198 -5.952 10.215 1.00 0.00 C ATOM 1539 CD GLU A 99 -7.250 -6.585 11.128 1.00 0.00 C ATOM 1540 OE1 GLU A 99 -8.266 -5.902 11.381 1.00 0.00 O ATOM 1541 OE2 GLU A 99 -7.015 -7.737 11.551 1.00 0.00 O ATOM 0 H GLU A 99 -3.833 -5.162 8.701 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.155 -5.005 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.527 -4.583 9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.431 -6.163 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.448 -6.697 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.680 -5.156 10.749 1.00 0.00 H new ATOM 1548 N PRO A 100 -5.623 -2.601 7.081 1.00 0.00 N ATOM 1549 CA PRO A 100 -5.409 -1.165 7.140 1.00 0.00 C ATOM 1550 C PRO A 100 -6.609 -0.458 7.773 1.00 0.00 C ATOM 1551 O PRO A 100 -7.706 -1.011 7.821 1.00 0.00 O ATOM 1552 CB PRO A 100 -5.163 -0.744 5.700 1.00 0.00 C ATOM 1553 CG PRO A 100 -5.706 -1.872 4.838 1.00 0.00 C ATOM 1554 CD PRO A 100 -5.938 -3.076 5.737 1.00 0.00 C ATOM 0 HA PRO A 100 -4.563 -0.891 7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.667 0.196 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.100 -0.588 5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -6.636 -1.570 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.001 -2.119 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.968 -3.426 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.299 -3.912 5.452 1.00 0.00 H new ATOM 1562 N LYS A 101 -6.359 0.755 8.244 1.00 0.00 N ATOM 1563 CA LYS A 101 -7.405 1.544 8.873 1.00 0.00 C ATOM 1564 C LYS A 101 -7.322 2.987 8.369 1.00 0.00 C ATOM 1565 O LYS A 101 -6.306 3.394 7.807 1.00 0.00 O ATOM 1566 CB LYS A 101 -7.329 1.419 10.395 1.00 0.00 C ATOM 1567 CG LYS A 101 -7.102 -0.035 10.815 1.00 0.00 C ATOM 1568 CD LYS A 101 -8.411 -0.827 10.778 1.00 0.00 C ATOM 1569 CE LYS A 101 -8.230 -2.214 11.398 1.00 0.00 C ATOM 1570 NZ LYS A 101 -9.189 -2.416 12.506 1.00 0.00 N ATOM 0 H LYS A 101 -5.447 1.211 8.203 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.388 1.164 8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.519 2.042 10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.252 1.790 10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.373 -0.499 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.682 -0.066 11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.185 -0.282 11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.751 -0.927 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.377 -2.981 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.210 -2.323 11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.052 -3.362 12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.030 -1.695 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.160 -2.333 12.144 1.00 0.00 H new ATOM 1584 N ARG A 102 -8.403 3.720 8.590 1.00 0.00 N ATOM 1585 CA ARG A 102 -8.465 5.108 8.166 1.00 0.00 C ATOM 1586 C ARG A 102 -7.490 5.957 8.984 1.00 0.00 C ATOM 1587 O ARG A 102 -6.817 6.832 8.441 1.00 0.00 O ATOM 1588 CB ARG A 102 -9.879 5.671 8.326 1.00 0.00 C ATOM 1589 CG ARG A 102 -10.546 5.875 6.964 1.00 0.00 C ATOM 1590 CD ARG A 102 -12.058 5.660 7.056 1.00 0.00 C ATOM 1591 NE ARG A 102 -12.768 6.745 6.345 1.00 0.00 N ATOM 1592 CZ ARG A 102 -12.808 6.869 5.011 1.00 0.00 C ATOM 1593 NH1 ARG A 102 -12.178 5.975 4.236 1.00 0.00 N ATOM 1594 NH2 ARG A 102 -13.477 7.887 4.452 1.00 0.00 N ATOM 0 H ARG A 102 -9.243 3.379 9.057 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.189 5.145 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.479 4.990 8.930 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.838 6.620 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.340 6.882 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.120 5.182 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.323 4.696 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.367 5.636 8.101 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.258 7.443 6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.668 5.201 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.208 6.069 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.956 8.568 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.507 7.981 3.437 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.445 5.669 10.276 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.563 6.396 11.174 1.00 0.00 C ATOM 1610 C ALA A 103 -7.240 7.699 11.603 1.00 0.00 C ATOM 1611 O ALA A 103 -6.591 8.740 11.691 1.00 0.00 O ATOM 1612 CB ALA A 103 -5.218 6.636 10.486 1.00 0.00 C ATOM 0 H ALA A 103 -8.005 4.943 10.723 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.368 5.814 12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.557 7.181 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.765 5.679 10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.373 7.220 9.578 1.00 0.00 H new ATOM 1618 N VAL A 104 -8.536 7.599 11.859 1.00 0.00 N ATOM 1619 CA VAL A 104 -9.308 8.757 12.276 1.00 0.00 C ATOM 1620 C VAL A 104 -9.883 8.505 13.672 1.00 0.00 C ATOM 1621 O VAL A 104 -9.741 7.412 14.218 1.00 0.00 O ATOM 1622 CB VAL A 104 -10.384 9.072 11.235 1.00 0.00 C ATOM 1623 CG1 VAL A 104 -9.757 9.358 9.869 1.00 0.00 C ATOM 1624 CG2 VAL A 104 -11.407 7.938 11.142 1.00 0.00 C ATOM 0 H VAL A 104 -9.071 6.734 11.786 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.670 9.638 12.341 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.910 9.971 11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.543 9.579 9.147 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.086 10.214 9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.194 8.485 9.537 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.160 8.188 10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.903 7.016 10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.888 7.802 12.111 1.00 0.00 H new ATOM 1634 N ALA A 105 -10.520 9.535 14.209 1.00 0.00 N ATOM 1635 CA ALA A 105 -11.117 9.440 15.530 1.00 0.00 C ATOM 1636 C ALA A 105 -10.018 9.183 16.564 1.00 0.00 C ATOM 1637 O ALA A 105 -9.135 8.356 16.344 1.00 0.00 O ATOM 1638 CB ALA A 105 -12.185 8.344 15.530 1.00 0.00 C ATOM 0 H ALA A 105 -10.636 10.440 13.753 1.00 0.00 H new ATOM 0 HA ALA A 105 -11.609 10.375 15.797 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -12.633 8.273 16.521 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.957 8.588 14.800 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -11.727 7.390 15.269 1.00 0.00 H new ATOM 1644 N ARG A 106 -10.109 9.907 17.670 1.00 0.00 N ATOM 1645 CA ARG A 106 -9.134 9.768 18.738 1.00 0.00 C ATOM 1646 C ARG A 106 -8.812 8.291 18.973 1.00 0.00 C ATOM 1647 O ARG A 106 -9.703 7.445 18.940 1.00 0.00 O ATOM 1648 CB ARG A 106 -9.651 10.384 20.039 1.00 0.00 C ATOM 1649 CG ARG A 106 -10.906 9.658 20.529 1.00 0.00 C ATOM 1650 CD ARG A 106 -12.024 10.652 20.850 1.00 0.00 C ATOM 1651 NE ARG A 106 -12.886 10.114 21.927 1.00 0.00 N ATOM 1652 CZ ARG A 106 -14.084 10.617 22.253 1.00 0.00 C ATOM 1653 NH1 ARG A 106 -14.570 11.674 21.588 1.00 0.00 N ATOM 1654 NH2 ARG A 106 -14.796 10.064 23.244 1.00 0.00 N ATOM 0 H ARG A 106 -10.843 10.592 17.849 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.230 10.296 18.434 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.875 10.333 20.803 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.875 11.439 19.882 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.246 8.957 19.767 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.669 9.073 21.417 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.596 11.606 21.158 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -12.620 10.843 19.957 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.546 9.310 22.454 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.028 12.095 20.834 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.482 12.057 21.836 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.426 9.260 23.751 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.708 10.447 23.492 1.00 0.00 H new ATOM 1668 N GLU A 107 -7.534 8.027 19.206 1.00 0.00 N ATOM 1669 CA GLU A 107 -7.083 6.667 19.447 1.00 0.00 C ATOM 1670 C GLU A 107 -5.670 6.673 20.035 1.00 0.00 C ATOM 1671 O GLU A 107 -4.849 7.517 19.678 1.00 0.00 O ATOM 1672 CB GLU A 107 -7.140 5.835 18.164 1.00 0.00 C ATOM 1673 CG GLU A 107 -8.300 4.839 18.209 1.00 0.00 C ATOM 1674 CD GLU A 107 -8.152 3.776 17.118 1.00 0.00 C ATOM 1675 OE1 GLU A 107 -7.431 2.790 17.380 1.00 0.00 O ATOM 1676 OE2 GLU A 107 -8.763 3.975 16.045 1.00 0.00 O ATOM 0 H GLU A 107 -6.797 8.732 19.233 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.755 6.205 20.170 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.255 6.494 17.303 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.200 5.299 18.032 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.334 4.359 19.187 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.244 5.369 18.080 1.00 0.00 H new ATOM 1683 N GLU A 108 -5.430 5.722 20.925 1.00 0.00 N ATOM 1684 CA GLU A 108 -4.131 5.607 21.566 1.00 0.00 C ATOM 1685 C GLU A 108 -3.014 5.745 20.529 1.00 0.00 C ATOM 1686 O GLU A 108 -3.192 5.382 19.367 1.00 0.00 O ATOM 1687 CB GLU A 108 -4.011 4.286 22.328 1.00 0.00 C ATOM 1688 CG GLU A 108 -4.166 3.092 21.384 1.00 0.00 C ATOM 1689 CD GLU A 108 -5.640 2.724 21.202 1.00 0.00 C ATOM 1690 OE1 GLU A 108 -6.306 2.518 22.239 1.00 0.00 O ATOM 1691 OE2 GLU A 108 -6.068 2.658 20.029 1.00 0.00 O ATOM 0 H GLU A 108 -6.113 5.024 21.218 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.031 6.416 22.289 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.043 4.236 22.827 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.773 4.240 23.106 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.725 3.330 20.416 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.620 2.236 21.782 1.00 0.00 H new ATOM 1698 N SER A 109 -1.888 6.271 20.986 1.00 0.00 N ATOM 1699 CA SER A 109 -0.742 6.462 20.113 1.00 0.00 C ATOM 1700 C SER A 109 0.543 6.520 20.941 1.00 0.00 C ATOM 1701 O SER A 109 0.512 6.878 22.118 1.00 0.00 O ATOM 1702 CB SER A 109 -0.893 7.735 19.278 1.00 0.00 C ATOM 1703 OG SER A 109 -0.566 8.905 20.023 1.00 0.00 O ATOM 0 H SER A 109 -1.744 6.571 21.950 1.00 0.00 H new ATOM 0 HA SER A 109 -0.688 5.615 19.429 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.249 7.672 18.401 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.918 7.811 18.915 1.00 0.00 H new ATOM 0 HG SER A 109 -0.673 9.696 19.454 1.00 0.00 H new ATOM 1709 N GLY A 110 1.642 6.162 20.294 1.00 0.00 N ATOM 1710 CA GLY A 110 2.936 6.168 20.956 1.00 0.00 C ATOM 1711 C GLY A 110 3.654 7.502 20.743 1.00 0.00 C ATOM 1712 O GLY A 110 3.177 8.356 19.997 1.00 0.00 O ATOM 0 H GLY A 110 1.663 5.866 19.318 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.804 5.988 22.023 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.550 5.355 20.570 1.00 0.00 H new ATOM 1716 N SER A 111 4.790 7.640 21.411 1.00 0.00 N ATOM 1717 CA SER A 111 5.579 8.855 21.304 1.00 0.00 C ATOM 1718 C SER A 111 4.777 10.048 21.827 1.00 0.00 C ATOM 1719 O SER A 111 3.718 10.372 21.291 1.00 0.00 O ATOM 1720 CB SER A 111 6.016 9.102 19.859 1.00 0.00 C ATOM 1721 OG SER A 111 6.877 10.232 19.747 1.00 0.00 O ATOM 0 H SER A 111 5.183 6.930 22.029 1.00 0.00 H new ATOM 0 HA SER A 111 6.476 8.735 21.911 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.527 8.218 19.479 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.135 9.254 19.235 1.00 0.00 H new ATOM 0 HG SER A 111 7.135 10.355 18.810 1.00 0.00 H new ATOM 1727 N GLY A 112 5.311 10.668 22.869 1.00 0.00 N ATOM 1728 CA GLY A 112 4.657 11.818 23.471 1.00 0.00 C ATOM 1729 C GLY A 112 4.969 11.905 24.966 1.00 0.00 C ATOM 1730 O GLY A 112 4.326 11.242 25.778 1.00 0.00 O ATOM 0 H GLY A 112 6.189 10.396 23.312 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.986 12.730 22.973 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.579 11.746 23.324 1.00 0.00 H new ATOM 1734 N PRO A 113 5.982 12.752 25.294 1.00 0.00 N ATOM 1735 CA PRO A 113 6.387 12.934 26.677 1.00 0.00 C ATOM 1736 C PRO A 113 5.375 13.797 27.435 1.00 0.00 C ATOM 1737 O PRO A 113 5.709 14.883 27.904 1.00 0.00 O ATOM 1738 CB PRO A 113 7.768 13.565 26.603 1.00 0.00 C ATOM 1739 CG PRO A 113 7.890 14.138 25.200 1.00 0.00 C ATOM 1740 CD PRO A 113 6.766 13.554 24.359 1.00 0.00 C ATOM 0 HA PRO A 113 6.422 11.997 27.232 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.881 14.346 27.355 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.546 12.825 26.792 1.00 0.00 H new ATOM 0 HG2 PRO A 113 7.823 15.226 25.225 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.859 13.888 24.768 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.161 14.340 23.907 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.157 12.944 23.545 1.00 0.00 H new ATOM 1748 N SER A 114 4.159 13.280 27.531 1.00 0.00 N ATOM 1749 CA SER A 114 3.097 13.989 28.224 1.00 0.00 C ATOM 1750 C SER A 114 3.227 13.780 29.734 1.00 0.00 C ATOM 1751 O SER A 114 3.227 12.645 30.209 1.00 0.00 O ATOM 1752 CB SER A 114 1.721 13.528 27.740 1.00 0.00 C ATOM 1753 OG SER A 114 1.015 14.567 27.068 1.00 0.00 O ATOM 0 H SER A 114 3.886 12.378 27.140 1.00 0.00 H new ATOM 0 HA SER A 114 3.193 15.052 28.002 1.00 0.00 H new ATOM 0 HB2 SER A 114 1.839 12.677 27.069 1.00 0.00 H new ATOM 0 HB3 SER A 114 1.134 13.183 28.591 1.00 0.00 H new ATOM 0 HG SER A 114 0.142 14.232 26.773 1.00 0.00 H new ATOM 1759 N SER A 115 3.334 14.892 30.446 1.00 0.00 N ATOM 1760 CA SER A 115 3.464 14.845 31.892 1.00 0.00 C ATOM 1761 C SER A 115 4.775 14.156 32.278 1.00 0.00 C ATOM 1762 O SER A 115 5.378 13.461 31.462 1.00 0.00 O ATOM 1763 CB SER A 115 2.277 14.120 32.529 1.00 0.00 C ATOM 1764 OG SER A 115 1.037 14.747 32.214 1.00 0.00 O ATOM 0 H SER A 115 3.333 15.831 30.048 1.00 0.00 H new ATOM 0 HA SER A 115 3.474 15.868 32.267 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.258 13.086 32.186 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.406 14.095 33.611 1.00 0.00 H new ATOM 0 HG SER A 115 0.304 14.253 32.638 1.00 0.00 H new ATOM 1770 N GLY A 116 5.177 14.373 33.522 1.00 0.00 N ATOM 1771 CA GLY A 116 6.405 13.782 34.025 1.00 0.00 C ATOM 1772 C GLY A 116 6.255 13.372 35.491 1.00 0.00 C ATOM 1773 O GLY A 116 5.167 13.464 36.057 1.00 0.00 O ATOM 0 H GLY A 116 4.674 14.950 34.196 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.666 12.910 33.425 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.224 14.495 33.925 1.00 0.00 H new TER 1777 GLY A 116