USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 828 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 66 SER OG : rot -100:sc= 0.706 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -145:sc= 0.795 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.154 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -69:sc= -0.597 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 171:sc= 0 (180deg=-0.0986) USER MOD Single : A 11 SER OG : rot 23:sc= 0.208 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 95:sc= -0.0322! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.309) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -7.19! C(o=-8.3!,f=-7.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0102 X(o=-0.01,f=0.39) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -5:sc= 0.916 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.889 F(o=-1.8,f=-0.89) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.00535 X(o=0.0053,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 72 GLN : amide:sc= -2.57! C(o=-2.6!,f=-5.8!) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -3.65! C(o=-5.9!,f=-3.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -95:sc= -1.25 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.421 F(o=-0.94,f=-0.42) USER MOD Single : A 99 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.83) USER MOD Single : A 102 THR OG1 : rot -20:sc= -0.0484 USER MOD Single : A 104 SER OG : rot -41:sc= 0.549 USER MOD Single : A 107 SER OG : rot 58:sc= 0.00897 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.100 -16.794 5.636 1.00 0.00 N ATOM 2 CA GLY A 1 -11.459 -16.345 5.389 1.00 0.00 C ATOM 3 C GLY A 1 -12.156 -15.961 6.695 1.00 0.00 C ATOM 4 O GLY A 1 -12.390 -16.812 7.552 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.649 -17.049 4.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.559 -16.030 6.090 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.117 -17.625 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.446 -15.489 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.022 -17.135 4.891 1.00 0.00 H new ATOM 8 N SER A 2 -12.469 -14.678 6.806 1.00 0.00 N ATOM 9 CA SER A 2 -13.135 -14.170 7.994 1.00 0.00 C ATOM 10 C SER A 2 -14.315 -13.283 7.593 1.00 0.00 C ATOM 11 O SER A 2 -14.281 -12.632 6.550 1.00 0.00 O ATOM 12 CB SER A 2 -12.161 -13.391 8.880 1.00 0.00 C ATOM 13 OG SER A 2 -11.388 -12.458 8.131 1.00 0.00 O ATOM 0 H SER A 2 -12.274 -13.975 6.093 1.00 0.00 H new ATOM 0 HA SER A 2 -13.506 -15.019 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.718 -12.862 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.495 -14.089 9.388 1.00 0.00 H new ATOM 0 HG SER A 2 -10.780 -11.980 8.732 1.00 0.00 H new ATOM 19 N SER A 3 -15.331 -13.285 8.443 1.00 0.00 N ATOM 20 CA SER A 3 -16.520 -12.488 8.191 1.00 0.00 C ATOM 21 C SER A 3 -16.624 -11.363 9.222 1.00 0.00 C ATOM 22 O SER A 3 -16.777 -11.621 10.415 1.00 0.00 O ATOM 23 CB SER A 3 -17.780 -13.355 8.221 1.00 0.00 C ATOM 24 OG SER A 3 -18.781 -12.873 7.328 1.00 0.00 O ATOM 0 H SER A 3 -15.356 -13.826 9.307 1.00 0.00 H new ATOM 0 HA SER A 3 -16.436 -12.052 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.521 -14.380 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.180 -13.379 9.235 1.00 0.00 H new ATOM 0 HG SER A 3 -19.569 -13.454 7.375 1.00 0.00 H new ATOM 30 N GLY A 4 -16.536 -10.138 8.725 1.00 0.00 N ATOM 31 CA GLY A 4 -16.619 -8.972 9.588 1.00 0.00 C ATOM 32 C GLY A 4 -16.186 -7.707 8.845 1.00 0.00 C ATOM 33 O GLY A 4 -15.539 -7.787 7.801 1.00 0.00 O ATOM 0 H GLY A 4 -16.408 -9.928 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.641 -8.854 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.987 -9.118 10.464 1.00 0.00 H new ATOM 37 N SER A 5 -16.558 -6.569 9.411 1.00 0.00 N ATOM 38 CA SER A 5 -16.216 -5.289 8.815 1.00 0.00 C ATOM 39 C SER A 5 -16.362 -4.173 9.852 1.00 0.00 C ATOM 40 O SER A 5 -17.458 -3.927 10.353 1.00 0.00 O ATOM 41 CB SER A 5 -17.092 -4.998 7.595 1.00 0.00 C ATOM 42 OG SER A 5 -18.478 -5.160 7.882 1.00 0.00 O ATOM 0 H SER A 5 -17.093 -6.506 10.277 1.00 0.00 H new ATOM 0 HA SER A 5 -15.179 -5.333 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.909 -3.980 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.810 -5.664 6.779 1.00 0.00 H new ATOM 0 HG SER A 5 -18.682 -4.754 8.750 1.00 0.00 H new ATOM 48 N SER A 6 -15.242 -3.528 10.142 1.00 0.00 N ATOM 49 CA SER A 6 -15.231 -2.444 11.110 1.00 0.00 C ATOM 50 C SER A 6 -14.678 -1.172 10.465 1.00 0.00 C ATOM 51 O SER A 6 -15.348 -0.140 10.446 1.00 0.00 O ATOM 52 CB SER A 6 -14.406 -2.816 12.344 1.00 0.00 C ATOM 53 OG SER A 6 -15.222 -3.314 13.401 1.00 0.00 O ATOM 0 H SER A 6 -14.335 -3.735 9.724 1.00 0.00 H new ATOM 0 HA SER A 6 -16.256 -2.263 11.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.666 -3.568 12.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.858 -1.940 12.691 1.00 0.00 H new ATOM 0 HG SER A 6 -14.659 -3.542 14.170 1.00 0.00 H new ATOM 59 N GLY A 7 -13.462 -1.287 9.952 1.00 0.00 N ATOM 60 CA GLY A 7 -12.812 -0.159 9.307 1.00 0.00 C ATOM 61 C GLY A 7 -12.520 -0.461 7.836 1.00 0.00 C ATOM 62 O GLY A 7 -13.310 -1.125 7.166 1.00 0.00 O ATOM 0 H GLY A 7 -12.910 -2.144 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.448 0.723 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.882 0.074 9.825 1.00 0.00 H new ATOM 66 N SER A 8 -11.383 0.040 7.376 1.00 0.00 N ATOM 67 CA SER A 8 -10.978 -0.168 5.997 1.00 0.00 C ATOM 68 C SER A 8 -9.649 -0.926 5.950 1.00 0.00 C ATOM 69 O SER A 8 -8.989 -1.090 6.975 1.00 0.00 O ATOM 70 CB SER A 8 -10.856 1.163 5.252 1.00 0.00 C ATOM 71 OG SER A 8 -9.514 1.643 5.233 1.00 0.00 O ATOM 0 H SER A 8 -10.730 0.589 7.934 1.00 0.00 H new ATOM 0 HA SER A 8 -11.746 -0.762 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.212 1.040 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.500 1.904 5.726 1.00 0.00 H new ATOM 0 HG SER A 8 -9.249 1.909 6.138 1.00 0.00 H new ATOM 77 N THR A 9 -9.297 -1.366 4.751 1.00 0.00 N ATOM 78 CA THR A 9 -8.059 -2.102 4.558 1.00 0.00 C ATOM 79 C THR A 9 -6.931 -1.472 5.377 1.00 0.00 C ATOM 80 O THR A 9 -6.127 -2.180 5.981 1.00 0.00 O ATOM 81 CB THR A 9 -7.767 -2.151 3.057 1.00 0.00 C ATOM 82 OG1 THR A 9 -8.716 -3.085 2.549 1.00 0.00 O ATOM 83 CG2 THR A 9 -6.412 -2.789 2.745 1.00 0.00 C ATOM 0 H THR A 9 -9.847 -1.227 3.903 1.00 0.00 H new ATOM 0 HA THR A 9 -8.147 -3.126 4.920 1.00 0.00 H new ATOM 0 HB THR A 9 -7.795 -1.141 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.599 -3.177 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.254 -2.799 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.620 -2.212 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.395 -3.811 3.124 1.00 0.00 H new ATOM 91 N MET A 10 -6.906 -0.147 5.370 1.00 0.00 N ATOM 92 CA MET A 10 -5.890 0.587 6.104 1.00 0.00 C ATOM 93 C MET A 10 -6.254 2.069 6.212 1.00 0.00 C ATOM 94 O MET A 10 -7.165 2.539 5.533 1.00 0.00 O ATOM 95 CB MET A 10 -4.543 0.442 5.393 1.00 0.00 C ATOM 96 CG MET A 10 -3.768 -0.765 5.926 1.00 0.00 C ATOM 97 SD MET A 10 -2.099 -0.287 6.337 1.00 0.00 S ATOM 98 CE MET A 10 -2.146 -0.492 8.110 1.00 0.00 C ATOM 0 H MET A 10 -7.574 0.437 4.867 1.00 0.00 H new ATOM 0 HA MET A 10 -5.826 0.174 7.111 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.704 0.330 4.321 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.954 1.348 5.534 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.267 -1.167 6.808 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.754 -1.558 5.178 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.139 -0.390 8.515 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.792 0.269 8.547 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.536 -1.481 8.352 1.00 0.00 H new ATOM 108 N SER A 11 -5.523 2.764 7.071 1.00 0.00 N ATOM 109 CA SER A 11 -5.757 4.183 7.277 1.00 0.00 C ATOM 110 C SER A 11 -4.770 4.732 8.308 1.00 0.00 C ATOM 111 O SER A 11 -4.665 4.205 9.415 1.00 0.00 O ATOM 112 CB SER A 11 -7.196 4.444 7.728 1.00 0.00 C ATOM 113 OG SER A 11 -7.508 3.761 8.939 1.00 0.00 O ATOM 0 H SER A 11 -4.768 2.370 7.633 1.00 0.00 H new ATOM 0 HA SER A 11 -5.603 4.696 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.344 5.515 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.885 4.127 6.945 1.00 0.00 H new ATOM 0 HG SER A 11 -6.681 3.566 9.427 1.00 0.00 H new ATOM 119 N GLY A 12 -4.070 5.784 7.909 1.00 0.00 N ATOM 120 CA GLY A 12 -3.095 6.411 8.785 1.00 0.00 C ATOM 121 C GLY A 12 -2.214 7.393 8.011 1.00 0.00 C ATOM 122 O GLY A 12 -2.363 7.545 6.799 1.00 0.00 O ATOM 0 H GLY A 12 -4.159 6.218 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.609 6.935 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.472 5.646 9.249 1.00 0.00 H new ATOM 126 N TYR A 13 -1.315 8.035 8.742 1.00 0.00 N ATOM 127 CA TYR A 13 -0.410 8.999 8.139 1.00 0.00 C ATOM 128 C TYR A 13 0.862 8.314 7.634 1.00 0.00 C ATOM 129 O TYR A 13 1.411 7.442 8.305 1.00 0.00 O ATOM 130 CB TYR A 13 -0.038 9.981 9.252 1.00 0.00 C ATOM 131 CG TYR A 13 -1.113 11.032 9.539 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.286 12.095 8.677 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.909 10.916 10.661 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.298 13.083 8.947 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.920 11.904 10.931 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.065 12.939 10.061 1.00 0.00 C ATOM 137 OH TYR A 13 -4.020 13.873 10.316 1.00 0.00 O ATOM 0 H TYR A 13 -1.194 7.907 9.747 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.883 9.490 7.289 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.161 9.421 10.166 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.888 10.488 8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.663 12.186 7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.773 10.084 11.336 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.445 13.920 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.549 11.825 11.805 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.491 13.642 11.144 1.00 0.00 H new ATOM 147 N LEU A 14 1.293 8.736 6.454 1.00 0.00 N ATOM 148 CA LEU A 14 2.490 8.175 5.850 1.00 0.00 C ATOM 149 C LEU A 14 3.336 9.304 5.260 1.00 0.00 C ATOM 150 O LEU A 14 2.804 10.340 4.862 1.00 0.00 O ATOM 151 CB LEU A 14 2.120 7.089 4.838 1.00 0.00 C ATOM 152 CG LEU A 14 1.322 5.904 5.386 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.868 4.979 4.255 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.119 5.154 6.455 1.00 0.00 C ATOM 0 H LEU A 14 0.835 9.460 5.900 1.00 0.00 H new ATOM 0 HA LEU A 14 3.102 7.680 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.544 7.549 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.039 6.708 4.392 1.00 0.00 H new ATOM 0 HG LEU A 14 0.423 6.290 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.303 4.145 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.237 5.535 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.740 4.597 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.529 4.317 6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.047 4.780 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.350 5.830 7.278 1.00 0.00 H new ATOM 166 N TYR A 15 4.639 9.067 5.221 1.00 0.00 N ATOM 167 CA TYR A 15 5.563 10.051 4.686 1.00 0.00 C ATOM 168 C TYR A 15 5.856 9.782 3.208 1.00 0.00 C ATOM 169 O TYR A 15 6.478 8.777 2.868 1.00 0.00 O ATOM 170 CB TYR A 15 6.858 9.894 5.486 1.00 0.00 C ATOM 171 CG TYR A 15 6.724 10.266 6.964 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.170 11.479 7.323 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.157 9.390 7.939 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.045 11.829 8.714 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.032 9.741 9.330 1.00 0.00 C ATOM 176 CZ TYR A 15 6.482 10.943 9.649 1.00 0.00 C ATOM 177 OH TYR A 15 6.363 11.274 10.962 1.00 0.00 O ATOM 0 H TYR A 15 5.076 8.207 5.552 1.00 0.00 H new ATOM 0 HA TYR A 15 5.142 11.053 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.197 8.861 5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.630 10.516 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.831 12.165 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.590 8.441 7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.614 12.774 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.368 9.065 10.102 1.00 0.00 H new ATOM 0 HH TYR A 15 6.715 10.546 11.516 1.00 0.00 H new ATOM 187 N ARG A 16 5.393 10.698 2.370 1.00 0.00 N ATOM 188 CA ARG A 16 5.597 10.572 0.937 1.00 0.00 C ATOM 189 C ARG A 16 6.887 11.283 0.520 1.00 0.00 C ATOM 190 O ARG A 16 7.030 12.487 0.723 1.00 0.00 O ATOM 191 CB ARG A 16 4.421 11.166 0.159 1.00 0.00 C ATOM 192 CG ARG A 16 4.597 10.955 -1.346 1.00 0.00 C ATOM 193 CD ARG A 16 3.242 10.916 -2.056 1.00 0.00 C ATOM 194 NE ARG A 16 3.127 12.059 -2.990 1.00 0.00 N ATOM 195 CZ ARG A 16 2.866 13.317 -2.609 1.00 0.00 C ATOM 196 NH1 ARG A 16 2.691 13.601 -1.311 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.779 14.290 -3.525 1.00 0.00 N ATOM 0 H ARG A 16 4.877 11.530 2.656 1.00 0.00 H new ATOM 0 HA ARG A 16 5.672 9.510 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.491 10.703 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.340 12.232 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.206 11.758 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.133 10.023 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.135 9.978 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.437 10.953 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 16 3.254 11.878 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.757 12.860 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.492 14.558 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.911 14.074 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.580 15.247 -3.235 1.00 0.00 H new ATOM 211 N SER A 17 7.793 10.506 -0.056 1.00 0.00 N ATOM 212 CA SER A 17 9.066 11.046 -0.503 1.00 0.00 C ATOM 213 C SER A 17 9.302 10.682 -1.970 1.00 0.00 C ATOM 214 O SER A 17 8.750 9.701 -2.466 1.00 0.00 O ATOM 215 CB SER A 17 10.217 10.532 0.364 1.00 0.00 C ATOM 216 OG SER A 17 10.449 11.367 1.494 1.00 0.00 O ATOM 0 H SER A 17 7.671 9.507 -0.223 1.00 0.00 H new ATOM 0 HA SER A 17 9.031 12.131 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.993 9.520 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.125 10.474 -0.236 1.00 0.00 H new ATOM 0 HG SER A 17 9.960 11.015 2.267 1.00 0.00 H new ATOM 222 N LYS A 18 10.122 11.492 -2.623 1.00 0.00 N ATOM 223 CA LYS A 18 10.438 11.268 -4.023 1.00 0.00 C ATOM 224 C LYS A 18 11.787 10.552 -4.129 1.00 0.00 C ATOM 225 O LYS A 18 12.387 10.509 -5.201 1.00 0.00 O ATOM 226 CB LYS A 18 10.376 12.582 -4.804 1.00 0.00 C ATOM 227 CG LYS A 18 9.090 12.671 -5.628 1.00 0.00 C ATOM 228 CD LYS A 18 9.389 12.557 -7.124 1.00 0.00 C ATOM 229 CE LYS A 18 8.306 13.250 -7.953 1.00 0.00 C ATOM 230 NZ LYS A 18 8.626 13.168 -9.396 1.00 0.00 N ATOM 0 H LYS A 18 10.577 12.305 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 18 9.694 10.617 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.428 13.423 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.241 12.658 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.406 11.877 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.588 13.617 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.359 13.004 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.452 11.506 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.339 12.784 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.222 14.294 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.881 13.643 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.539 13.633 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.684 12.170 -9.683 1.00 0.00 H new ATOM 244 N GLY A 19 12.223 10.010 -3.002 1.00 0.00 N ATOM 245 CA GLY A 19 13.489 9.299 -2.954 1.00 0.00 C ATOM 246 C GLY A 19 14.002 9.188 -1.517 1.00 0.00 C ATOM 247 O GLY A 19 13.215 9.184 -0.572 1.00 0.00 O ATOM 0 H GLY A 19 11.722 10.049 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.367 8.302 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.225 9.818 -3.568 1.00 0.00 H new ATOM 251 N SER A 20 15.319 9.101 -1.397 1.00 0.00 N ATOM 252 CA SER A 20 15.946 8.990 -0.092 1.00 0.00 C ATOM 253 C SER A 20 16.399 10.370 0.390 1.00 0.00 C ATOM 254 O SER A 20 16.015 10.810 1.473 1.00 0.00 O ATOM 255 CB SER A 20 17.133 8.026 -0.131 1.00 0.00 C ATOM 256 OG SER A 20 16.744 6.688 0.168 1.00 0.00 O ATOM 0 H SER A 20 15.969 9.105 -2.183 1.00 0.00 H new ATOM 0 HA SER A 20 15.211 8.591 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.593 8.058 -1.118 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.889 8.352 0.584 1.00 0.00 H new ATOM 0 HG SER A 20 17.489 6.080 -0.023 1.00 0.00 H new ATOM 262 N LYS A 21 17.208 11.014 -0.438 1.00 0.00 N ATOM 263 CA LYS A 21 17.718 12.335 -0.110 1.00 0.00 C ATOM 264 C LYS A 21 16.661 13.385 -0.459 1.00 0.00 C ATOM 265 O LYS A 21 16.969 14.394 -1.091 1.00 0.00 O ATOM 266 CB LYS A 21 19.068 12.572 -0.789 1.00 0.00 C ATOM 267 CG LYS A 21 20.108 11.557 -0.311 1.00 0.00 C ATOM 268 CD LYS A 21 21.424 12.248 0.049 1.00 0.00 C ATOM 269 CE LYS A 21 21.991 13.008 -1.152 1.00 0.00 C ATOM 270 NZ LYS A 21 22.747 12.092 -2.035 1.00 0.00 N ATOM 0 H LYS A 21 17.523 10.646 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 21 17.908 12.416 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.953 12.498 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.415 13.583 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.725 11.021 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.284 10.816 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.262 12.938 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.147 11.507 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.180 13.474 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.643 13.811 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.125 12.624 -2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.533 11.667 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.115 11.341 -2.379 1.00 0.00 H new ATOM 284 N LYS A 22 15.437 13.112 -0.031 1.00 0.00 N ATOM 285 CA LYS A 22 14.333 14.020 -0.290 1.00 0.00 C ATOM 286 C LYS A 22 13.579 14.284 1.015 1.00 0.00 C ATOM 287 O LYS A 22 13.622 13.471 1.936 1.00 0.00 O ATOM 288 CB LYS A 22 13.447 13.480 -1.414 1.00 0.00 C ATOM 289 CG LYS A 22 14.115 13.669 -2.778 1.00 0.00 C ATOM 290 CD LYS A 22 13.428 14.779 -3.576 1.00 0.00 C ATOM 291 CE LYS A 22 14.080 14.951 -4.949 1.00 0.00 C ATOM 292 NZ LYS A 22 13.689 16.246 -5.550 1.00 0.00 N ATOM 0 H LYS A 22 15.186 12.274 0.494 1.00 0.00 H new ATOM 0 HA LYS A 22 14.705 14.981 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.246 12.422 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.485 13.993 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.168 13.914 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.075 12.735 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.371 14.543 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.483 15.717 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.165 14.901 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.781 14.134 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.140 16.347 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.655 16.279 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.996 17.023 -4.931 1.00 0.00 H new ATOM 306 N PRO A 23 12.888 15.455 1.052 1.00 0.00 N ATOM 307 CA PRO A 23 12.125 15.837 2.228 1.00 0.00 C ATOM 308 C PRO A 23 10.830 15.029 2.328 1.00 0.00 C ATOM 309 O PRO A 23 10.055 14.972 1.374 1.00 0.00 O ATOM 310 CB PRO A 23 11.884 17.330 2.074 1.00 0.00 C ATOM 311 CG PRO A 23 12.114 17.639 0.603 1.00 0.00 C ATOM 312 CD PRO A 23 12.815 16.443 -0.021 1.00 0.00 C ATOM 0 HA PRO A 23 12.653 15.627 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.871 17.595 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.564 17.903 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.166 17.831 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.721 18.538 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.258 16.059 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.808 16.710 -0.382 1.00 0.00 H new ATOM 320 N TRP A 24 10.634 14.425 3.491 1.00 0.00 N ATOM 321 CA TRP A 24 9.446 13.623 3.727 1.00 0.00 C ATOM 322 C TRP A 24 8.249 14.571 3.828 1.00 0.00 C ATOM 323 O TRP A 24 8.406 15.741 4.174 1.00 0.00 O ATOM 324 CB TRP A 24 9.617 12.741 4.965 1.00 0.00 C ATOM 325 CG TRP A 24 10.754 11.724 4.852 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.993 11.813 5.354 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.706 10.452 4.172 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.744 10.696 5.048 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.936 9.843 4.306 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.657 9.838 3.466 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.234 8.588 3.761 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.970 8.584 2.927 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.204 7.957 3.053 1.00 0.00 C ATOM 0 H TRP A 24 11.278 14.475 4.280 1.00 0.00 H new ATOM 0 HA TRP A 24 9.275 12.933 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.798 13.378 5.830 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.684 12.209 5.151 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.358 12.653 5.926 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.713 10.528 5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.686 10.297 3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.206 8.132 3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.199 8.068 2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.368 6.987 2.607 1.00 0.00 H new ATOM 344 N LYS A 25 7.079 14.030 3.521 1.00 0.00 N ATOM 345 CA LYS A 25 5.856 14.812 3.574 1.00 0.00 C ATOM 346 C LYS A 25 4.771 14.008 4.292 1.00 0.00 C ATOM 347 O LYS A 25 4.311 12.986 3.784 1.00 0.00 O ATOM 348 CB LYS A 25 5.453 15.271 2.171 1.00 0.00 C ATOM 349 CG LYS A 25 5.978 16.679 1.883 1.00 0.00 C ATOM 350 CD LYS A 25 5.063 17.416 0.903 1.00 0.00 C ATOM 351 CE LYS A 25 4.042 18.278 1.649 1.00 0.00 C ATOM 352 NZ LYS A 25 2.747 18.284 0.933 1.00 0.00 N ATOM 0 H LYS A 25 6.952 13.059 3.235 1.00 0.00 H new ATOM 0 HA LYS A 25 6.012 15.723 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.845 14.574 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.367 15.258 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.049 17.242 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.985 16.618 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.662 18.044 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.544 16.695 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.903 17.895 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.417 19.297 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.275 19.200 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.911 18.134 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.143 17.522 1.302 1.00 0.00 H new ATOM 366 N HIS A 26 4.393 14.498 5.464 1.00 0.00 N ATOM 367 CA HIS A 26 3.371 13.838 6.257 1.00 0.00 C ATOM 368 C HIS A 26 1.994 14.109 5.649 1.00 0.00 C ATOM 369 O HIS A 26 1.526 15.247 5.645 1.00 0.00 O ATOM 370 CB HIS A 26 3.465 14.260 7.725 1.00 0.00 C ATOM 371 CG HIS A 26 3.251 13.131 8.704 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.294 11.779 8.529 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 2.953 13.342 10.039 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 3.038 11.196 9.693 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 2.826 12.164 10.631 1.00 0.00 N flip ATOM 0 H HIS A 26 4.777 15.345 5.883 1.00 0.00 H new ATOM 0 HA HIS A 26 3.532 12.760 6.238 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.446 14.701 7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.726 15.038 7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.843 14.304 10.517 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.003 10.131 9.869 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.608 12.008 11.615 1.00 0.00 H new ATOM 383 N LEU A 27 1.382 13.045 5.150 1.00 0.00 N ATOM 384 CA LEU A 27 0.067 13.154 4.541 1.00 0.00 C ATOM 385 C LEU A 27 -0.823 12.021 5.054 1.00 0.00 C ATOM 386 O LEU A 27 -0.335 11.069 5.661 1.00 0.00 O ATOM 387 CB LEU A 27 0.186 13.202 3.017 1.00 0.00 C ATOM 388 CG LEU A 27 0.533 14.565 2.413 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.622 14.431 1.347 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.718 15.258 1.870 1.00 0.00 C ATOM 0 H LEU A 27 1.773 12.103 5.155 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.411 14.090 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.948 12.486 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.758 12.867 2.588 1.00 0.00 H new ATOM 0 HG LEU A 27 0.934 15.198 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.850 15.414 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.521 14.009 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.272 13.775 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.444 16.224 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.171 14.638 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.432 15.406 2.680 1.00 0.00 H new ATOM 402 N TRP A 28 -2.114 12.161 4.791 1.00 0.00 N ATOM 403 CA TRP A 28 -3.078 11.160 5.218 1.00 0.00 C ATOM 404 C TRP A 28 -3.488 10.345 3.990 1.00 0.00 C ATOM 405 O TRP A 28 -3.663 10.896 2.904 1.00 0.00 O ATOM 406 CB TRP A 28 -4.267 11.812 5.927 1.00 0.00 C ATOM 407 CG TRP A 28 -5.350 10.823 6.362 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.491 10.518 5.728 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.348 10.015 7.558 1.00 0.00 C ATOM 410 NE1 TRP A 28 -7.222 9.578 6.426 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.504 9.262 7.574 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.400 9.924 8.592 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.821 8.365 8.601 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.731 9.023 9.611 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.891 8.258 9.642 1.00 0.00 C ATOM 0 H TRP A 28 -2.515 12.952 4.288 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.636 10.486 5.951 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.905 12.347 6.805 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.712 12.553 5.263 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.800 10.953 4.789 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.123 9.187 6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.489 10.503 8.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.733 7.787 8.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.036 8.915 10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.074 7.584 10.466 1.00 0.00 H new ATOM 426 N PHE A 29 -3.630 9.045 4.203 1.00 0.00 N ATOM 427 CA PHE A 29 -4.017 8.148 3.127 1.00 0.00 C ATOM 428 C PHE A 29 -5.048 7.126 3.610 1.00 0.00 C ATOM 429 O PHE A 29 -5.075 6.775 4.788 1.00 0.00 O ATOM 430 CB PHE A 29 -2.752 7.409 2.685 1.00 0.00 C ATOM 431 CG PHE A 29 -1.696 8.312 2.045 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.752 8.585 0.714 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.701 8.840 2.806 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.772 9.423 0.119 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.279 9.678 2.212 1.00 0.00 C ATOM 436 CZ PHE A 29 0.223 9.952 0.881 1.00 0.00 C ATOM 0 H PHE A 29 -3.484 8.591 5.105 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.463 8.716 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.314 6.911 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.028 6.630 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.542 8.164 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.656 8.622 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.817 9.640 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.069 10.098 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.968 10.590 0.429 1.00 0.00 H new ATOM 446 N VAL A 30 -5.871 6.677 2.674 1.00 0.00 N ATOM 447 CA VAL A 30 -6.902 5.702 2.988 1.00 0.00 C ATOM 448 C VAL A 30 -7.130 4.797 1.776 1.00 0.00 C ATOM 449 O VAL A 30 -7.400 5.281 0.678 1.00 0.00 O ATOM 450 CB VAL A 30 -8.174 6.416 3.449 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.296 5.412 3.726 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.901 7.285 4.678 1.00 0.00 C ATOM 0 H VAL A 30 -5.845 6.970 1.697 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.585 5.065 3.814 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.501 7.071 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.189 5.945 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.518 4.855 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.981 4.720 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.822 7.781 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.537 6.659 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.149 8.035 4.433 1.00 0.00 H new ATOM 462 N ILE A 31 -7.012 3.499 2.015 1.00 0.00 N ATOM 463 CA ILE A 31 -7.202 2.523 0.956 1.00 0.00 C ATOM 464 C ILE A 31 -8.654 2.041 0.967 1.00 0.00 C ATOM 465 O ILE A 31 -9.069 1.331 1.881 1.00 0.00 O ATOM 466 CB ILE A 31 -6.178 1.393 1.080 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.750 1.943 1.081 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.386 0.342 -0.013 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.743 0.854 1.455 1.00 0.00 C ATOM 0 H ILE A 31 -6.787 3.101 2.927 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.024 2.978 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.332 0.897 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.510 2.342 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.676 2.770 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.645 -0.450 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.386 -0.082 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.275 0.808 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.736 1.272 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.971 0.474 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.803 0.040 0.733 1.00 0.00 H new ATOM 481 N LYS A 32 -9.386 2.446 -0.061 1.00 0.00 N ATOM 482 CA LYS A 32 -10.782 2.065 -0.181 1.00 0.00 C ATOM 483 C LYS A 32 -11.061 1.612 -1.616 1.00 0.00 C ATOM 484 O LYS A 32 -10.593 2.233 -2.569 1.00 0.00 O ATOM 485 CB LYS A 32 -11.691 3.201 0.292 1.00 0.00 C ATOM 486 CG LYS A 32 -13.086 3.080 -0.324 1.00 0.00 C ATOM 487 CD LYS A 32 -14.130 3.791 0.541 1.00 0.00 C ATOM 488 CE LYS A 32 -14.233 3.141 1.922 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.623 2.712 2.191 1.00 0.00 N ATOM 0 H LYS A 32 -9.038 3.034 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.003 1.219 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.767 3.182 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.251 4.161 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.084 3.510 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.351 2.028 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.863 4.842 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.101 3.758 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.564 2.282 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.909 3.846 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.675 2.273 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.254 3.538 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.919 2.023 1.471 1.00 0.00 H new ATOM 503 N ASN A 33 -11.822 0.533 -1.724 1.00 0.00 N ATOM 504 CA ASN A 33 -12.169 -0.010 -3.027 1.00 0.00 C ATOM 505 C ASN A 33 -10.887 -0.340 -3.794 1.00 0.00 C ATOM 506 O ASN A 33 -10.888 -0.376 -5.024 1.00 0.00 O ATOM 507 CB ASN A 33 -12.967 1.002 -3.851 1.00 0.00 C ATOM 508 CG ASN A 33 -14.019 0.301 -4.712 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.715 -0.382 -5.676 1.00 0.00 O ATOM 510 ND2 ASN A 33 -15.270 0.506 -4.311 1.00 0.00 N ATOM 0 H ASN A 33 -12.208 0.020 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.774 -0.903 -2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.453 1.715 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.291 1.571 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.045 0.080 -4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.455 1.089 -3.495 1.00 0.00 H new ATOM 517 N LYS A 34 -9.825 -0.573 -3.037 1.00 0.00 N ATOM 518 CA LYS A 34 -8.540 -0.899 -3.631 1.00 0.00 C ATOM 519 C LYS A 34 -7.953 0.354 -4.285 1.00 0.00 C ATOM 520 O LYS A 34 -7.149 0.256 -5.211 1.00 0.00 O ATOM 521 CB LYS A 34 -8.677 -2.085 -4.587 1.00 0.00 C ATOM 522 CG LYS A 34 -7.873 -3.287 -4.088 1.00 0.00 C ATOM 523 CD LYS A 34 -8.781 -4.496 -3.856 1.00 0.00 C ATOM 524 CE LYS A 34 -7.965 -5.787 -3.765 1.00 0.00 C ATOM 525 NZ LYS A 34 -7.855 -6.232 -2.357 1.00 0.00 N ATOM 0 H LYS A 34 -9.828 -0.542 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.835 -1.218 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.727 -2.360 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.331 -1.798 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.102 -3.541 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.363 -3.028 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.350 -4.356 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.502 -4.574 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.438 -6.566 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.970 -5.626 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.298 -7.109 -2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.384 -5.494 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.806 -6.405 -1.972 1.00 0.00 H new ATOM 539 N VAL A 35 -8.377 1.502 -3.777 1.00 0.00 N ATOM 540 CA VAL A 35 -7.904 2.772 -4.300 1.00 0.00 C ATOM 541 C VAL A 35 -7.158 3.526 -3.198 1.00 0.00 C ATOM 542 O VAL A 35 -7.638 3.618 -2.069 1.00 0.00 O ATOM 543 CB VAL A 35 -9.074 3.567 -4.883 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.610 4.935 -5.388 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.773 2.780 -5.993 1.00 0.00 C ATOM 0 H VAL A 35 -9.043 1.579 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.200 2.611 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.797 3.733 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.461 5.480 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.180 5.501 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.858 4.800 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.601 3.368 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.062 2.568 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.155 1.842 -5.589 1.00 0.00 H new ATOM 555 N LEU A 36 -5.996 4.048 -3.564 1.00 0.00 N ATOM 556 CA LEU A 36 -5.179 4.791 -2.620 1.00 0.00 C ATOM 557 C LEU A 36 -5.564 6.271 -2.674 1.00 0.00 C ATOM 558 O LEU A 36 -5.039 7.023 -3.495 1.00 0.00 O ATOM 559 CB LEU A 36 -3.693 4.532 -2.877 1.00 0.00 C ATOM 560 CG LEU A 36 -2.715 5.267 -1.957 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.650 6.756 -2.304 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.067 5.036 -0.486 1.00 0.00 C ATOM 0 H LEU A 36 -5.601 3.971 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.367 4.449 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.510 3.461 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.469 4.808 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.719 4.855 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.948 7.255 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.317 6.875 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.639 7.200 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.357 5.569 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.074 5.404 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.021 3.970 -0.264 1.00 0.00 H new ATOM 574 N TYR A 37 -6.477 6.645 -1.790 1.00 0.00 N ATOM 575 CA TYR A 37 -6.938 8.022 -1.727 1.00 0.00 C ATOM 576 C TYR A 37 -5.933 8.903 -0.982 1.00 0.00 C ATOM 577 O TYR A 37 -5.209 8.424 -0.110 1.00 0.00 O ATOM 578 CB TYR A 37 -8.251 7.991 -0.944 1.00 0.00 C ATOM 579 CG TYR A 37 -9.453 7.512 -1.761 1.00 0.00 C ATOM 580 CD1 TYR A 37 -10.033 8.351 -2.691 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.956 6.242 -1.568 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.164 7.900 -3.460 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.087 5.791 -2.337 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.635 6.642 -3.246 1.00 0.00 C ATOM 585 OH TYR A 37 -12.703 6.216 -3.972 1.00 0.00 O ATOM 0 H TYR A 37 -6.910 6.019 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.059 8.433 -2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.130 7.340 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.459 8.991 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.639 9.345 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.502 5.586 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.628 8.546 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.491 4.800 -2.195 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.929 5.298 -3.714 1.00 0.00 H new ATOM 595 N THR A 38 -5.922 10.175 -1.352 1.00 0.00 N ATOM 596 CA THR A 38 -5.018 11.127 -0.729 1.00 0.00 C ATOM 597 C THR A 38 -5.789 12.059 0.208 1.00 0.00 C ATOM 598 O THR A 38 -7.003 12.210 0.079 1.00 0.00 O ATOM 599 CB THR A 38 -4.270 11.866 -1.841 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.478 10.855 -2.457 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.245 12.862 -1.295 1.00 0.00 C ATOM 0 H THR A 38 -6.524 10.569 -2.075 1.00 0.00 H new ATOM 0 HA THR A 38 -4.282 10.623 -0.102 1.00 0.00 H new ATOM 0 HB THR A 38 -4.986 12.392 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.961 11.247 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.743 13.359 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.752 13.606 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.509 12.332 -0.690 1.00 0.00 H new ATOM 609 N TYR A 39 -5.051 12.661 1.130 1.00 0.00 N ATOM 610 CA TYR A 39 -5.650 13.574 2.089 1.00 0.00 C ATOM 611 C TYR A 39 -4.590 14.479 2.719 1.00 0.00 C ATOM 612 O TYR A 39 -3.394 14.252 2.550 1.00 0.00 O ATOM 613 CB TYR A 39 -6.268 12.696 3.179 1.00 0.00 C ATOM 614 CG TYR A 39 -7.561 11.996 2.755 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.768 12.657 2.855 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.520 10.703 2.274 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.985 11.998 2.457 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.737 10.044 1.876 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.909 10.724 1.987 1.00 0.00 C ATOM 620 OH TYR A 39 -11.059 10.102 1.611 1.00 0.00 O ATOM 0 H TYR A 39 -4.044 12.534 1.233 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.386 14.214 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.541 11.942 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.471 13.311 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.800 13.669 3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.575 10.185 2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.936 12.504 2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.719 9.033 1.498 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.853 9.197 1.295 1.00 0.00 H new ATOM 630 N ALA A 40 -5.069 15.487 3.434 1.00 0.00 N ATOM 631 CA ALA A 40 -4.177 16.428 4.091 1.00 0.00 C ATOM 632 C ALA A 40 -4.267 16.236 5.606 1.00 0.00 C ATOM 633 O ALA A 40 -3.305 16.498 6.327 1.00 0.00 O ATOM 634 CB ALA A 40 -4.532 17.853 3.661 1.00 0.00 C ATOM 0 H ALA A 40 -6.062 15.672 3.573 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.143 16.247 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.863 18.559 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.424 17.944 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.562 18.072 3.943 1.00 0.00 H new ATOM 640 N ALA A 41 -5.432 15.782 6.045 1.00 0.00 N ATOM 641 CA ALA A 41 -5.660 15.552 7.461 1.00 0.00 C ATOM 642 C ALA A 41 -6.945 14.742 7.642 1.00 0.00 C ATOM 643 O ALA A 41 -7.666 14.491 6.676 1.00 0.00 O ATOM 644 CB ALA A 41 -5.709 16.894 8.195 1.00 0.00 C ATOM 0 H ALA A 41 -6.228 15.567 5.444 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.843 14.974 7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.880 16.722 9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.762 17.417 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.520 17.500 7.791 1.00 0.00 H new ATOM 650 N SER A 42 -7.194 14.356 8.884 1.00 0.00 N ATOM 651 CA SER A 42 -8.380 13.579 9.203 1.00 0.00 C ATOM 652 C SER A 42 -9.573 14.512 9.425 1.00 0.00 C ATOM 653 O SER A 42 -10.689 14.053 9.661 1.00 0.00 O ATOM 654 CB SER A 42 -8.152 12.707 10.440 1.00 0.00 C ATOM 655 OG SER A 42 -9.372 12.181 10.955 1.00 0.00 O ATOM 0 H SER A 42 -6.595 14.567 9.682 1.00 0.00 H new ATOM 0 HA SER A 42 -8.593 12.920 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.482 11.886 10.186 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.657 13.296 11.212 1.00 0.00 H new ATOM 0 HG SER A 42 -10.126 12.549 10.449 1.00 0.00 H new ATOM 661 N GLU A 43 -9.295 15.805 9.342 1.00 0.00 N ATOM 662 CA GLU A 43 -10.331 16.807 9.530 1.00 0.00 C ATOM 663 C GLU A 43 -10.872 17.271 8.177 1.00 0.00 C ATOM 664 O GLU A 43 -11.868 17.991 8.117 1.00 0.00 O ATOM 665 CB GLU A 43 -9.807 17.990 10.347 1.00 0.00 C ATOM 666 CG GLU A 43 -8.942 18.911 9.484 1.00 0.00 C ATOM 667 CD GLU A 43 -7.544 19.071 10.084 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.448 18.998 11.328 1.00 0.00 O ATOM 669 OE2 GLU A 43 -6.602 19.263 9.285 1.00 0.00 O ATOM 0 H GLU A 43 -8.367 16.182 9.147 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.150 16.355 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.645 18.552 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.224 17.623 11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.865 18.504 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.418 19.888 9.397 1.00 0.00 H new ATOM 676 N ASP A 44 -10.193 16.841 7.124 1.00 0.00 N ATOM 677 CA ASP A 44 -10.594 17.203 5.775 1.00 0.00 C ATOM 678 C ASP A 44 -12.037 16.755 5.539 1.00 0.00 C ATOM 679 O ASP A 44 -12.594 15.997 6.332 1.00 0.00 O ATOM 680 CB ASP A 44 -9.708 16.516 4.734 1.00 0.00 C ATOM 681 CG ASP A 44 -9.124 17.445 3.668 1.00 0.00 C ATOM 682 OD1 ASP A 44 -8.872 18.619 4.015 1.00 0.00 O ATOM 683 OD2 ASP A 44 -8.942 16.960 2.531 1.00 0.00 O ATOM 0 H ASP A 44 -9.367 16.245 7.178 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.497 18.284 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.887 16.018 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.291 15.740 4.238 1.00 0.00 H new ATOM 688 N VAL A 45 -12.603 17.241 4.444 1.00 0.00 N ATOM 689 CA VAL A 45 -13.971 16.899 4.093 1.00 0.00 C ATOM 690 C VAL A 45 -13.960 15.876 2.955 1.00 0.00 C ATOM 691 O VAL A 45 -14.958 15.198 2.717 1.00 0.00 O ATOM 692 CB VAL A 45 -14.755 18.167 3.749 1.00 0.00 C ATOM 693 CG1 VAL A 45 -15.637 18.601 4.921 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.813 19.296 3.324 1.00 0.00 C ATOM 0 H VAL A 45 -12.139 17.869 3.788 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.479 16.438 4.940 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.407 17.939 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.183 19.504 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.345 17.806 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -15.012 18.802 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.396 20.186 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.124 19.521 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.247 18.986 2.445 1.00 0.00 H new ATOM 704 N ALA A 46 -12.821 15.796 2.284 1.00 0.00 N ATOM 705 CA ALA A 46 -12.668 14.867 1.177 1.00 0.00 C ATOM 706 C ALA A 46 -11.179 14.625 0.923 1.00 0.00 C ATOM 707 O ALA A 46 -10.328 15.234 1.569 1.00 0.00 O ATOM 708 CB ALA A 46 -13.388 15.417 -0.055 1.00 0.00 C ATOM 0 H ALA A 46 -11.995 16.359 2.485 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.122 13.906 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.273 14.720 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.447 15.543 0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.958 16.380 -0.328 1.00 0.00 H new ATOM 714 N ALA A 47 -10.909 13.733 -0.019 1.00 0.00 N ATOM 715 CA ALA A 47 -9.538 13.403 -0.367 1.00 0.00 C ATOM 716 C ALA A 47 -8.999 14.447 -1.347 1.00 0.00 C ATOM 717 O ALA A 47 -9.742 14.967 -2.178 1.00 0.00 O ATOM 718 CB ALA A 47 -9.483 11.985 -0.938 1.00 0.00 C ATOM 0 H ALA A 47 -11.617 13.229 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.903 13.423 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.454 11.738 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.848 11.278 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.107 11.927 -1.830 1.00 0.00 H new ATOM 724 N LEU A 48 -7.710 14.724 -1.217 1.00 0.00 N ATOM 725 CA LEU A 48 -7.062 15.698 -2.080 1.00 0.00 C ATOM 726 C LEU A 48 -6.943 15.120 -3.492 1.00 0.00 C ATOM 727 O LEU A 48 -7.013 15.856 -4.475 1.00 0.00 O ATOM 728 CB LEU A 48 -5.726 16.140 -1.481 1.00 0.00 C ATOM 729 CG LEU A 48 -5.803 16.901 -0.156 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.405 17.174 0.402 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.621 18.185 -0.308 1.00 0.00 C ATOM 0 H LEU A 48 -7.096 14.291 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.665 16.603 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.106 15.255 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.215 16.769 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.321 16.273 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.489 17.716 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.890 16.228 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.839 17.772 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.660 18.707 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.153 18.828 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.633 17.936 -0.627 1.00 0.00 H new ATOM 743 N GLU A 49 -6.764 13.809 -3.547 1.00 0.00 N ATOM 744 CA GLU A 49 -6.634 13.124 -4.823 1.00 0.00 C ATOM 745 C GLU A 49 -7.128 11.681 -4.703 1.00 0.00 C ATOM 746 O GLU A 49 -7.339 11.183 -3.598 1.00 0.00 O ATOM 747 CB GLU A 49 -5.190 13.170 -5.325 1.00 0.00 C ATOM 748 CG GLU A 49 -4.890 14.504 -6.011 1.00 0.00 C ATOM 749 CD GLU A 49 -5.780 14.700 -7.241 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.644 13.881 -8.175 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.575 15.664 -7.218 1.00 0.00 O ATOM 0 H GLU A 49 -6.706 13.202 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.255 13.640 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.506 13.025 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.018 12.351 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.049 15.322 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.842 14.537 -6.307 1.00 0.00 H new ATOM 758 N SER A 50 -7.299 11.050 -5.856 1.00 0.00 N ATOM 759 CA SER A 50 -7.764 9.674 -5.894 1.00 0.00 C ATOM 760 C SER A 50 -7.045 8.910 -7.008 1.00 0.00 C ATOM 761 O SER A 50 -7.083 9.315 -8.168 1.00 0.00 O ATOM 762 CB SER A 50 -9.279 9.610 -6.099 1.00 0.00 C ATOM 763 OG SER A 50 -9.789 10.805 -6.685 1.00 0.00 O ATOM 0 H SER A 50 -7.124 11.466 -6.770 1.00 0.00 H new ATOM 0 HA SER A 50 -7.534 9.208 -4.936 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.523 8.761 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.768 9.439 -5.140 1.00 0.00 H new ATOM 0 HG SER A 50 -10.759 10.724 -6.801 1.00 0.00 H new ATOM 769 N GLN A 51 -6.405 7.818 -6.614 1.00 0.00 N ATOM 770 CA GLN A 51 -5.679 6.993 -7.565 1.00 0.00 C ATOM 771 C GLN A 51 -5.763 5.520 -7.162 1.00 0.00 C ATOM 772 O GLN A 51 -5.439 5.162 -6.031 1.00 0.00 O ATOM 773 CB GLN A 51 -4.222 7.447 -7.682 1.00 0.00 C ATOM 774 CG GLN A 51 -4.084 8.591 -8.689 1.00 0.00 C ATOM 775 CD GLN A 51 -4.573 8.165 -10.074 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.027 7.037 -10.518 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -5.393 8.818 -10.699 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.374 7.486 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.142 7.108 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.859 7.770 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.599 6.608 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.657 9.453 -8.346 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.042 8.904 -8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.773 9.676 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.698 8.506 -11.621 1.00 0.00 H new ATOM 786 N PRO A 52 -6.213 4.683 -8.136 1.00 0.00 N ATOM 787 CA PRO A 52 -6.344 3.256 -7.894 1.00 0.00 C ATOM 788 C PRO A 52 -4.976 2.572 -7.890 1.00 0.00 C ATOM 789 O PRO A 52 -4.036 3.053 -8.522 1.00 0.00 O ATOM 790 CB PRO A 52 -7.257 2.752 -9.000 1.00 0.00 C ATOM 791 CG PRO A 52 -7.227 3.819 -10.083 1.00 0.00 C ATOM 792 CD PRO A 52 -6.606 5.071 -9.487 1.00 0.00 C ATOM 0 HA PRO A 52 -6.766 3.033 -6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.910 1.793 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.271 2.599 -8.630 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.647 3.476 -10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.235 4.027 -10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.746 5.402 -10.070 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.317 5.897 -9.471 1.00 0.00 H new ATOM 800 N LEU A 53 -4.907 1.462 -7.171 1.00 0.00 N ATOM 801 CA LEU A 53 -3.669 0.707 -7.076 1.00 0.00 C ATOM 802 C LEU A 53 -3.692 -0.432 -8.098 1.00 0.00 C ATOM 803 O LEU A 53 -3.228 -1.535 -7.813 1.00 0.00 O ATOM 804 CB LEU A 53 -3.435 0.239 -5.639 1.00 0.00 C ATOM 805 CG LEU A 53 -3.472 1.328 -4.564 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.786 0.732 -3.190 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.171 2.134 -4.556 1.00 0.00 C ATOM 0 H LEU A 53 -5.689 1.067 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.817 1.340 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.188 -0.510 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.465 -0.257 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.278 2.020 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.806 1.527 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.757 0.239 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.018 0.005 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.223 2.901 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.332 1.469 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.030 2.607 -5.528 1.00 0.00 H new ATOM 819 N LEU A 54 -4.235 -0.125 -9.266 1.00 0.00 N ATOM 820 CA LEU A 54 -4.325 -1.109 -10.332 1.00 0.00 C ATOM 821 C LEU A 54 -3.119 -0.959 -11.261 1.00 0.00 C ATOM 822 O LEU A 54 -2.937 0.086 -11.884 1.00 0.00 O ATOM 823 CB LEU A 54 -5.672 -1.001 -11.049 1.00 0.00 C ATOM 824 CG LEU A 54 -6.279 -2.318 -11.536 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.403 -2.962 -12.612 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.540 -3.268 -10.365 1.00 0.00 C ATOM 0 H LEU A 54 -4.618 0.792 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.289 -2.119 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.383 -0.523 -10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.553 -0.339 -11.907 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.243 -2.100 -11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.858 -3.897 -12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.313 -2.285 -13.461 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.413 -3.164 -12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.972 -4.196 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.601 -3.484 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.234 -2.801 -9.666 1.00 0.00 H new ATOM 838 N GLY A 55 -2.326 -2.019 -11.326 1.00 0.00 N ATOM 839 CA GLY A 55 -1.143 -2.017 -12.169 1.00 0.00 C ATOM 840 C GLY A 55 0.096 -1.599 -11.375 1.00 0.00 C ATOM 841 O GLY A 55 1.221 -1.740 -11.852 1.00 0.00 O ATOM 0 H GLY A 55 -2.480 -2.884 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.991 -3.011 -12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.290 -1.335 -13.006 1.00 0.00 H new ATOM 845 N PHE A 56 -0.152 -1.092 -10.176 1.00 0.00 N ATOM 846 CA PHE A 56 0.929 -0.651 -9.312 1.00 0.00 C ATOM 847 C PHE A 56 1.553 -1.834 -8.568 1.00 0.00 C ATOM 848 O PHE A 56 1.106 -2.970 -8.716 1.00 0.00 O ATOM 849 CB PHE A 56 0.321 0.314 -8.292 1.00 0.00 C ATOM 850 CG PHE A 56 0.124 1.736 -8.821 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.138 2.639 -8.738 1.00 0.00 C ATOM 852 CD2 PHE A 56 -1.065 2.097 -9.374 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.955 3.958 -9.230 1.00 0.00 C ATOM 854 CE2 PHE A 56 -1.248 3.417 -9.865 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.234 4.319 -9.782 1.00 0.00 C ATOM 0 H PHE A 56 -1.086 -0.977 -9.783 1.00 0.00 H new ATOM 0 HA PHE A 56 1.710 -0.176 -9.906 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.642 -0.078 -7.966 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.965 0.350 -7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.082 2.353 -8.298 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.870 1.380 -9.440 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.760 4.675 -9.166 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.192 3.704 -10.304 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.373 5.323 -10.155 1.00 0.00 H new ATOM 865 N THR A 57 2.576 -1.526 -7.785 1.00 0.00 N ATOM 866 CA THR A 57 3.266 -2.550 -7.018 1.00 0.00 C ATOM 867 C THR A 57 3.916 -1.938 -5.776 1.00 0.00 C ATOM 868 O THR A 57 3.986 -0.716 -5.645 1.00 0.00 O ATOM 869 CB THR A 57 4.264 -3.244 -7.947 1.00 0.00 C ATOM 870 OG1 THR A 57 3.569 -3.350 -9.186 1.00 0.00 O ATOM 871 CG2 THR A 57 4.528 -4.696 -7.542 1.00 0.00 C ATOM 0 H THR A 57 2.944 -0.582 -7.665 1.00 0.00 H new ATOM 0 HA THR A 57 2.570 -3.302 -6.645 1.00 0.00 H new ATOM 0 HB THR A 57 5.203 -2.691 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.144 -3.788 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.243 -5.142 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.935 -4.724 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.594 -5.258 -7.573 1.00 0.00 H new ATOM 879 N VAL A 58 4.376 -2.814 -4.895 1.00 0.00 N ATOM 880 CA VAL A 58 5.018 -2.375 -3.667 1.00 0.00 C ATOM 881 C VAL A 58 6.143 -3.349 -3.310 1.00 0.00 C ATOM 882 O VAL A 58 6.077 -4.530 -3.646 1.00 0.00 O ATOM 883 CB VAL A 58 3.977 -2.230 -2.555 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.502 -2.799 -1.236 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.551 -0.770 -2.392 1.00 0.00 C ATOM 0 H VAL A 58 4.317 -3.826 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 58 5.469 -1.392 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 58 3.097 -2.806 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.743 -2.684 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.733 -3.857 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.404 -2.263 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.811 -0.694 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.420 -0.163 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.118 -0.411 -3.326 1.00 0.00 H new ATOM 895 N THR A 59 7.149 -2.816 -2.632 1.00 0.00 N ATOM 896 CA THR A 59 8.287 -3.623 -2.225 1.00 0.00 C ATOM 897 C THR A 59 9.070 -2.919 -1.114 1.00 0.00 C ATOM 898 O THR A 59 9.246 -1.703 -1.149 1.00 0.00 O ATOM 899 CB THR A 59 9.128 -3.916 -3.469 1.00 0.00 C ATOM 900 OG1 THR A 59 9.966 -4.999 -3.074 1.00 0.00 O ATOM 901 CG2 THR A 59 10.108 -2.786 -3.793 1.00 0.00 C ATOM 0 H THR A 59 7.200 -1.836 -2.354 1.00 0.00 H new ATOM 0 HA THR A 59 7.966 -4.574 -1.801 1.00 0.00 H new ATOM 0 HB THR A 59 8.469 -4.081 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.544 -5.255 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.680 -3.045 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.554 -1.864 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.789 -2.643 -2.954 1.00 0.00 H new ATOM 909 N LEU A 60 9.518 -3.715 -0.155 1.00 0.00 N ATOM 910 CA LEU A 60 10.278 -3.184 0.964 1.00 0.00 C ATOM 911 C LEU A 60 11.676 -2.791 0.485 1.00 0.00 C ATOM 912 O LEU A 60 12.275 -3.488 -0.333 1.00 0.00 O ATOM 913 CB LEU A 60 10.284 -4.178 2.128 1.00 0.00 C ATOM 914 CG LEU A 60 10.747 -3.627 3.478 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.274 -3.574 3.554 1.00 0.00 C ATOM 916 CD2 LEU A 60 10.112 -2.264 3.761 1.00 0.00 C ATOM 0 H LEU A 60 9.369 -4.724 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 60 9.807 -2.280 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.276 -4.575 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.927 -5.017 1.860 1.00 0.00 H new ATOM 0 HG LEU A 60 10.409 -4.308 4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.577 -3.179 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.680 -4.578 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.655 -2.928 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.458 -1.895 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.398 -1.560 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.027 -2.365 3.779 1.00 0.00 H new ATOM 928 N VAL A 61 12.156 -1.675 1.014 1.00 0.00 N ATOM 929 CA VAL A 61 13.473 -1.180 0.650 1.00 0.00 C ATOM 930 C VAL A 61 14.314 -1.001 1.915 1.00 0.00 C ATOM 931 O VAL A 61 13.882 -0.349 2.865 1.00 0.00 O ATOM 932 CB VAL A 61 13.342 0.107 -0.167 1.00 0.00 C ATOM 933 CG1 VAL A 61 12.088 0.886 0.235 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.594 0.974 -0.030 1.00 0.00 C ATOM 0 H VAL A 61 11.656 -1.099 1.692 1.00 0.00 H new ATOM 0 HA VAL A 61 13.989 -1.901 0.016 1.00 0.00 H new ATOM 0 HB VAL A 61 13.242 -0.171 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.019 1.796 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.206 0.270 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.145 1.147 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.474 1.882 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.740 1.239 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.461 0.420 -0.389 1.00 0.00 H new ATOM 944 N LYS A 62 15.499 -1.592 1.889 1.00 0.00 N ATOM 945 CA LYS A 62 16.404 -1.506 3.022 1.00 0.00 C ATOM 946 C LYS A 62 17.606 -0.638 2.645 1.00 0.00 C ATOM 947 O LYS A 62 18.429 -0.306 3.497 1.00 0.00 O ATOM 948 CB LYS A 62 16.786 -2.905 3.511 1.00 0.00 C ATOM 949 CG LYS A 62 17.247 -3.785 2.347 1.00 0.00 C ATOM 950 CD LYS A 62 16.200 -4.852 2.019 1.00 0.00 C ATOM 951 CE LYS A 62 16.648 -6.229 2.510 1.00 0.00 C ATOM 952 NZ LYS A 62 15.645 -7.258 2.154 1.00 0.00 N ATOM 0 H LYS A 62 15.854 -2.133 1.100 1.00 0.00 H new ATOM 0 HA LYS A 62 15.912 -1.022 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.581 -2.830 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.932 -3.367 4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.429 -3.166 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.193 -4.264 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.249 -4.588 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.032 -4.883 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.611 -6.483 2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.789 -6.208 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.965 -8.187 2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.734 -7.022 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.531 -7.289 1.121 1.00 0.00 H new ATOM 966 N ASP A 63 17.670 -0.294 1.367 1.00 0.00 N ATOM 967 CA ASP A 63 18.757 0.529 0.866 1.00 0.00 C ATOM 968 C ASP A 63 18.386 2.006 1.020 1.00 0.00 C ATOM 969 O ASP A 63 19.106 2.883 0.545 1.00 0.00 O ATOM 970 CB ASP A 63 19.015 0.259 -0.617 1.00 0.00 C ATOM 971 CG ASP A 63 20.491 0.227 -1.021 1.00 0.00 C ATOM 972 OD1 ASP A 63 21.307 -0.166 -0.160 1.00 0.00 O ATOM 973 OD2 ASP A 63 20.769 0.595 -2.183 1.00 0.00 O ATOM 0 H ASP A 63 16.986 -0.571 0.663 1.00 0.00 H new ATOM 0 HA ASP A 63 19.653 0.287 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.561 -0.696 -0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.510 1.026 -1.204 1.00 0.00 H new ATOM 978 N GLU A 64 17.263 2.234 1.685 1.00 0.00 N ATOM 979 CA GLU A 64 16.787 3.589 1.907 1.00 0.00 C ATOM 980 C GLU A 64 17.371 4.151 3.205 1.00 0.00 C ATOM 981 O GLU A 64 18.094 5.146 3.185 1.00 0.00 O ATOM 982 CB GLU A 64 15.258 3.637 1.927 1.00 0.00 C ATOM 983 CG GLU A 64 14.758 4.883 2.661 1.00 0.00 C ATOM 984 CD GLU A 64 13.495 5.438 2.001 1.00 0.00 C ATOM 985 OE1 GLU A 64 12.614 4.613 1.677 1.00 0.00 O ATOM 986 OE2 GLU A 64 13.438 6.676 1.835 1.00 0.00 O ATOM 0 H GLU A 64 16.669 1.503 2.077 1.00 0.00 H new ATOM 0 HA GLU A 64 17.126 4.212 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.877 3.635 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.869 2.743 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.550 4.637 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.537 5.646 2.663 1.00 0.00 H new ATOM 993 N ASN A 65 17.035 3.489 4.302 1.00 0.00 N ATOM 994 CA ASN A 65 17.517 3.909 5.607 1.00 0.00 C ATOM 995 C ASN A 65 17.069 2.896 6.662 1.00 0.00 C ATOM 996 O ASN A 65 17.898 2.321 7.367 1.00 0.00 O ATOM 997 CB ASN A 65 16.946 5.276 5.991 1.00 0.00 C ATOM 998 CG ASN A 65 18.051 6.216 6.476 1.00 0.00 C ATOM 999 OD1 ASN A 65 18.474 6.181 7.620 1.00 0.00 O ATOM 1000 ND2 ASN A 65 18.495 7.055 5.544 1.00 0.00 N ATOM 0 H ASN A 65 16.435 2.665 4.314 1.00 0.00 H new ATOM 0 HA ASN A 65 18.604 3.972 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.440 5.717 5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.198 5.154 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.234 7.722 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.097 7.031 4.605 1.00 0.00 H new ATOM 1007 N SER A 66 15.760 2.708 6.738 1.00 0.00 N ATOM 1008 CA SER A 66 15.192 1.775 7.696 1.00 0.00 C ATOM 1009 C SER A 66 14.997 0.406 7.040 1.00 0.00 C ATOM 1010 O SER A 66 14.332 0.296 6.011 1.00 0.00 O ATOM 1011 CB SER A 66 13.863 2.293 8.248 1.00 0.00 C ATOM 1012 OG SER A 66 13.794 2.180 9.667 1.00 0.00 O ATOM 0 H SER A 66 15.076 3.186 6.152 1.00 0.00 H new ATOM 0 HA SER A 66 15.887 1.676 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.733 3.336 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.042 1.734 7.799 1.00 0.00 H new ATOM 0 HG SER A 66 13.271 1.387 9.907 1.00 0.00 H new ATOM 1018 N GLU A 67 15.590 -0.602 7.662 1.00 0.00 N ATOM 1019 CA GLU A 67 15.489 -1.959 7.151 1.00 0.00 C ATOM 1020 C GLU A 67 14.069 -2.236 6.655 1.00 0.00 C ATOM 1021 O GLU A 67 13.749 -1.969 5.497 1.00 0.00 O ATOM 1022 CB GLU A 67 15.907 -2.977 8.214 1.00 0.00 C ATOM 1023 CG GLU A 67 17.361 -3.410 8.018 1.00 0.00 C ATOM 1024 CD GLU A 67 17.551 -4.881 8.392 1.00 0.00 C ATOM 1025 OE1 GLU A 67 17.797 -5.135 9.591 1.00 0.00 O ATOM 1026 OE2 GLU A 67 17.445 -5.719 7.471 1.00 0.00 O ATOM 0 H GLU A 67 16.142 -0.507 8.515 1.00 0.00 H new ATOM 0 HA GLU A 67 16.173 -2.061 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.784 -2.543 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.255 -3.849 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.653 -3.255 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.015 -2.788 8.630 1.00 0.00 H new ATOM 1033 N SER A 68 13.255 -2.767 7.555 1.00 0.00 N ATOM 1034 CA SER A 68 11.876 -3.083 7.223 1.00 0.00 C ATOM 1035 C SER A 68 10.929 -2.136 7.963 1.00 0.00 C ATOM 1036 O SER A 68 10.525 -2.414 9.091 1.00 0.00 O ATOM 1037 CB SER A 68 11.546 -4.538 7.565 1.00 0.00 C ATOM 1038 OG SER A 68 11.301 -5.318 6.398 1.00 0.00 O ATOM 0 H SER A 68 13.524 -2.987 8.514 1.00 0.00 H new ATOM 0 HA SER A 68 11.745 -2.952 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.372 -4.975 8.126 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.669 -4.569 8.212 1.00 0.00 H new ATOM 0 HG SER A 68 11.096 -6.240 6.658 1.00 0.00 H new ATOM 1044 N LYS A 69 10.603 -1.037 7.299 1.00 0.00 N ATOM 1045 CA LYS A 69 9.712 -0.048 7.880 1.00 0.00 C ATOM 1046 C LYS A 69 9.208 0.888 6.779 1.00 0.00 C ATOM 1047 O LYS A 69 8.023 1.210 6.727 1.00 0.00 O ATOM 1048 CB LYS A 69 10.399 0.678 9.037 1.00 0.00 C ATOM 1049 CG LYS A 69 9.848 2.096 9.199 1.00 0.00 C ATOM 1050 CD LYS A 69 10.203 2.669 10.573 1.00 0.00 C ATOM 1051 CE LYS A 69 11.245 3.782 10.451 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.262 3.659 11.519 1.00 0.00 N ATOM 0 H LYS A 69 10.940 -0.810 6.364 1.00 0.00 H new ATOM 0 HA LYS A 69 8.837 -0.532 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.251 0.119 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.473 0.720 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.253 2.739 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.765 2.086 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.304 3.058 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.587 1.875 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.727 3.732 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.757 4.754 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.567 4.607 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.853 3.154 12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.081 3.130 11.159 1.00 0.00 H new ATOM 1066 N VAL A 70 10.135 1.297 5.925 1.00 0.00 N ATOM 1067 CA VAL A 70 9.800 2.189 4.828 1.00 0.00 C ATOM 1068 C VAL A 70 9.826 1.407 3.513 1.00 0.00 C ATOM 1069 O VAL A 70 10.794 0.705 3.224 1.00 0.00 O ATOM 1070 CB VAL A 70 10.745 3.393 4.826 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.160 2.980 5.234 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.747 4.085 3.461 1.00 0.00 C ATOM 0 H VAL A 70 11.118 1.027 5.971 1.00 0.00 H new ATOM 0 HA VAL A 70 8.791 2.583 4.951 1.00 0.00 H new ATOM 0 HB VAL A 70 10.380 4.108 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.811 3.854 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.140 2.554 6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.539 2.237 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.426 4.937 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.076 3.381 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.740 4.430 3.227 1.00 0.00 H new ATOM 1082 N PHE A 71 8.751 1.553 2.753 1.00 0.00 N ATOM 1083 CA PHE A 71 8.639 0.869 1.476 1.00 0.00 C ATOM 1084 C PHE A 71 8.497 1.870 0.328 1.00 0.00 C ATOM 1085 O PHE A 71 8.452 3.078 0.555 1.00 0.00 O ATOM 1086 CB PHE A 71 7.379 0.004 1.542 1.00 0.00 C ATOM 1087 CG PHE A 71 6.176 0.705 2.176 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.118 0.868 3.525 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.164 1.164 1.392 1.00 0.00 C ATOM 1090 CE1 PHE A 71 5.001 1.518 4.114 1.00 0.00 C ATOM 1091 CE2 PHE A 71 4.047 1.814 1.981 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.990 1.977 3.330 1.00 0.00 C ATOM 0 H PHE A 71 7.950 2.135 2.997 1.00 0.00 H new ATOM 0 HA PHE A 71 9.533 0.273 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.113 -0.310 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.600 -0.900 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.921 0.503 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.210 1.034 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.955 1.648 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.244 2.179 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.141 2.471 3.779 1.00 0.00 H new ATOM 1102 N GLN A 72 8.430 1.331 -0.880 1.00 0.00 N ATOM 1103 CA GLN A 72 8.294 2.162 -2.064 1.00 0.00 C ATOM 1104 C GLN A 72 7.077 1.726 -2.882 1.00 0.00 C ATOM 1105 O GLN A 72 6.753 0.541 -2.936 1.00 0.00 O ATOM 1106 CB GLN A 72 9.567 2.121 -2.912 1.00 0.00 C ATOM 1107 CG GLN A 72 10.584 3.155 -2.425 1.00 0.00 C ATOM 1108 CD GLN A 72 11.772 3.250 -3.384 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.194 4.321 -3.788 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.288 2.072 -3.725 1.00 0.00 N ATOM 0 H GLN A 72 8.467 0.329 -1.065 1.00 0.00 H new ATOM 0 HA GLN A 72 8.142 3.193 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 72 10.006 1.124 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.319 2.313 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.104 4.130 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.936 2.883 -1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.887 1.212 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.085 2.029 -4.361 1.00 0.00 H new ATOM 1119 N LEU A 73 6.435 2.708 -3.498 1.00 0.00 N ATOM 1120 CA LEU A 73 5.260 2.441 -4.310 1.00 0.00 C ATOM 1121 C LEU A 73 5.673 2.345 -5.780 1.00 0.00 C ATOM 1122 O LEU A 73 5.832 3.363 -6.452 1.00 0.00 O ATOM 1123 CB LEU A 73 4.175 3.486 -4.043 1.00 0.00 C ATOM 1124 CG LEU A 73 2.868 3.309 -4.819 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.188 1.989 -4.453 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.942 4.509 -4.612 1.00 0.00 C ATOM 0 H LEU A 73 6.707 3.690 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 73 4.819 1.482 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.946 3.479 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.582 4.470 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 73 3.104 3.264 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.262 1.888 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.852 1.159 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.965 1.978 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.020 4.358 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.708 4.610 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.437 5.415 -4.962 1.00 0.00 H new ATOM 1138 N LEU A 74 5.834 1.111 -6.237 1.00 0.00 N ATOM 1139 CA LEU A 74 6.226 0.869 -7.615 1.00 0.00 C ATOM 1140 C LEU A 74 4.992 0.963 -8.515 1.00 0.00 C ATOM 1141 O LEU A 74 3.891 0.599 -8.105 1.00 0.00 O ATOM 1142 CB LEU A 74 6.973 -0.460 -7.734 1.00 0.00 C ATOM 1143 CG LEU A 74 8.423 -0.461 -7.244 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.636 -1.523 -6.163 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.397 -0.628 -8.412 1.00 0.00 C ATOM 0 H LEU A 74 5.700 0.269 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 74 6.927 1.633 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.421 -1.216 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.964 -0.767 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 74 8.630 0.508 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.674 -1.502 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.981 -1.317 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.404 -2.507 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.420 -0.625 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.199 -1.573 -8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.267 0.195 -9.115 1.00 0.00 H new ATOM 1157 N HIS A 75 5.217 1.453 -9.725 1.00 0.00 N ATOM 1158 CA HIS A 75 4.138 1.600 -10.686 1.00 0.00 C ATOM 1159 C HIS A 75 4.610 1.131 -12.064 1.00 0.00 C ATOM 1160 O HIS A 75 5.247 1.887 -12.796 1.00 0.00 O ATOM 1161 CB HIS A 75 3.611 3.036 -10.697 1.00 0.00 C ATOM 1162 CG HIS A 75 2.511 3.280 -11.703 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.316 2.649 -11.886 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.581 4.272 -12.665 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.689 3.226 -12.904 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.472 4.232 -13.389 1.00 0.00 N flip ATOM 0 H HIS A 75 6.132 1.753 -10.062 1.00 0.00 H new ATOM 0 HA HIS A 75 3.298 0.969 -10.394 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.241 3.284 -9.702 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.438 3.714 -10.907 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.964 1.867 -11.334 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.401 4.962 -12.802 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.282 2.945 -13.285 1.00 0.00 H new ATOM 1174 N LYS A 76 4.280 -0.114 -12.375 1.00 0.00 N ATOM 1175 CA LYS A 76 4.663 -0.692 -13.652 1.00 0.00 C ATOM 1176 C LYS A 76 6.113 -1.173 -13.575 1.00 0.00 C ATOM 1177 O LYS A 76 6.688 -1.587 -14.581 1.00 0.00 O ATOM 1178 CB LYS A 76 4.403 0.299 -14.789 1.00 0.00 C ATOM 1179 CG LYS A 76 3.061 1.010 -14.600 1.00 0.00 C ATOM 1180 CD LYS A 76 2.523 1.527 -15.935 1.00 0.00 C ATOM 1181 CE LYS A 76 3.134 2.886 -16.283 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.201 2.730 -17.296 1.00 0.00 N ATOM 0 H LYS A 76 3.752 -0.738 -11.765 1.00 0.00 H new ATOM 0 HA LYS A 76 4.049 -1.565 -13.874 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.206 1.035 -14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.409 -0.227 -15.743 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.341 0.323 -14.155 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.180 1.841 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.749 0.810 -16.724 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.438 1.614 -15.884 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.360 3.553 -16.662 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.542 3.349 -15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.605 3.662 -17.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.947 2.110 -16.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.802 2.308 -18.159 1.00 0.00 H new ATOM 1196 N GLY A 77 6.663 -1.103 -12.372 1.00 0.00 N ATOM 1197 CA GLY A 77 8.036 -1.526 -12.151 1.00 0.00 C ATOM 1198 C GLY A 77 8.907 -0.350 -11.705 1.00 0.00 C ATOM 1199 O GLY A 77 9.995 -0.547 -11.167 1.00 0.00 O ATOM 0 H GLY A 77 6.183 -0.760 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.061 -2.310 -11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.440 -1.955 -13.068 1.00 0.00 H new ATOM 1203 N MET A 78 8.396 0.849 -11.946 1.00 0.00 N ATOM 1204 CA MET A 78 9.114 2.057 -11.577 1.00 0.00 C ATOM 1205 C MET A 78 8.572 2.638 -10.269 1.00 0.00 C ATOM 1206 O MET A 78 7.360 2.693 -10.065 1.00 0.00 O ATOM 1207 CB MET A 78 8.976 3.094 -12.693 1.00 0.00 C ATOM 1208 CG MET A 78 10.163 3.023 -13.656 1.00 0.00 C ATOM 1209 SD MET A 78 10.428 4.616 -14.417 1.00 0.00 S ATOM 1210 CE MET A 78 11.211 4.107 -15.938 1.00 0.00 C ATOM 0 H MET A 78 7.493 1.009 -12.392 1.00 0.00 H new ATOM 0 HA MET A 78 10.164 1.804 -11.433 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.049 2.924 -13.240 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.913 4.093 -12.261 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.060 2.714 -13.119 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.975 2.271 -14.423 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.446 4.986 -16.538 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.130 3.566 -15.711 1.00 0.00 H new ATOM 0 HE3 MET A 78 10.536 3.457 -16.495 1.00 0.00 H new ATOM 1220 N VAL A 79 9.496 3.058 -9.418 1.00 0.00 N ATOM 1221 CA VAL A 79 9.126 3.634 -8.136 1.00 0.00 C ATOM 1222 C VAL A 79 8.366 4.942 -8.369 1.00 0.00 C ATOM 1223 O VAL A 79 8.863 5.840 -9.046 1.00 0.00 O ATOM 1224 CB VAL A 79 10.370 3.813 -7.264 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.055 4.652 -6.024 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.964 2.458 -6.872 1.00 0.00 C ATOM 0 H VAL A 79 10.500 3.011 -9.591 1.00 0.00 H new ATOM 0 HA VAL A 79 8.459 2.963 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 79 11.116 4.349 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.957 4.764 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.699 5.636 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.284 4.155 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.847 2.613 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.225 1.885 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.244 1.909 -7.771 1.00 0.00 H new ATOM 1236 N PHE A 80 7.174 5.007 -7.794 1.00 0.00 N ATOM 1237 CA PHE A 80 6.341 6.190 -7.931 1.00 0.00 C ATOM 1238 C PHE A 80 6.536 7.137 -6.745 1.00 0.00 C ATOM 1239 O PHE A 80 6.538 8.356 -6.914 1.00 0.00 O ATOM 1240 CB PHE A 80 4.888 5.713 -7.954 1.00 0.00 C ATOM 1241 CG PHE A 80 3.864 6.844 -8.062 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.798 7.597 -9.192 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.019 7.097 -7.026 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.847 8.647 -9.292 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.068 8.147 -7.126 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.002 8.900 -8.257 1.00 0.00 C ATOM 0 H PHE A 80 6.765 4.260 -7.232 1.00 0.00 H new ATOM 0 HA PHE A 80 6.606 6.730 -8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.753 5.033 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.689 5.142 -7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.469 7.397 -10.014 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.071 6.499 -6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.795 9.245 -10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.397 8.348 -6.304 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.279 9.698 -8.333 1.00 0.00 H new ATOM 1256 N TYR A 81 6.695 6.541 -5.573 1.00 0.00 N ATOM 1257 CA TYR A 81 6.890 7.317 -4.360 1.00 0.00 C ATOM 1258 C TYR A 81 7.413 6.436 -3.223 1.00 0.00 C ATOM 1259 O TYR A 81 7.403 5.210 -3.328 1.00 0.00 O ATOM 1260 CB TYR A 81 5.510 7.856 -3.977 1.00 0.00 C ATOM 1261 CG TYR A 81 5.132 9.157 -4.687 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.069 10.159 -4.837 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.853 9.329 -5.178 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.713 11.384 -5.506 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.497 10.554 -5.846 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.444 11.521 -5.977 1.00 0.00 C ATOM 1267 OH TYR A 81 4.108 12.678 -6.608 1.00 0.00 O ATOM 0 H TYR A 81 6.693 5.530 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 81 7.618 8.111 -4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.760 7.099 -4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.481 8.020 -2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.069 10.025 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.120 8.545 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.437 12.176 -5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.500 10.701 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 81 3.171 12.635 -6.892 1.00 0.00 H new ATOM 1277 N VAL A 82 7.858 7.095 -2.163 1.00 0.00 N ATOM 1278 CA VAL A 82 8.384 6.386 -1.009 1.00 0.00 C ATOM 1279 C VAL A 82 7.480 6.645 0.198 1.00 0.00 C ATOM 1280 O VAL A 82 7.188 7.795 0.524 1.00 0.00 O ATOM 1281 CB VAL A 82 9.839 6.792 -0.764 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.424 6.041 0.433 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.688 6.572 -2.018 1.00 0.00 C ATOM 0 H VAL A 82 7.865 8.112 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 82 8.386 5.311 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 82 9.855 7.857 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.459 6.348 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.843 6.270 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.388 4.968 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.718 6.868 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.661 5.518 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.291 7.173 -2.836 1.00 0.00 H new ATOM 1293 N PHE A 83 7.062 5.557 0.828 1.00 0.00 N ATOM 1294 CA PHE A 83 6.198 5.652 1.992 1.00 0.00 C ATOM 1295 C PHE A 83 6.857 5.018 3.218 1.00 0.00 C ATOM 1296 O PHE A 83 7.347 3.892 3.151 1.00 0.00 O ATOM 1297 CB PHE A 83 4.917 4.883 1.662 1.00 0.00 C ATOM 1298 CG PHE A 83 4.014 5.585 0.646 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.369 6.733 0.989 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.855 5.062 -0.599 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.531 7.385 0.047 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.016 5.714 -1.541 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.372 6.862 -1.199 1.00 0.00 C ATOM 0 H PHE A 83 7.306 4.605 0.554 1.00 0.00 H new ATOM 0 HA PHE A 83 5.997 6.699 2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.185 3.900 1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.355 4.722 2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.495 7.148 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.367 4.151 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.019 8.296 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.889 5.298 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.735 7.358 -1.916 1.00 0.00 H new ATOM 1313 N LYS A 84 6.848 5.769 4.310 1.00 0.00 N ATOM 1314 CA LYS A 84 7.439 5.294 5.549 1.00 0.00 C ATOM 1315 C LYS A 84 6.343 5.137 6.605 1.00 0.00 C ATOM 1316 O LYS A 84 5.521 6.033 6.789 1.00 0.00 O ATOM 1317 CB LYS A 84 8.584 6.212 5.983 1.00 0.00 C ATOM 1318 CG LYS A 84 9.073 5.853 7.388 1.00 0.00 C ATOM 1319 CD LYS A 84 9.704 7.065 8.076 1.00 0.00 C ATOM 1320 CE LYS A 84 11.128 6.753 8.540 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.408 7.414 9.834 1.00 0.00 N ATOM 0 H LYS A 84 6.441 6.703 4.362 1.00 0.00 H new ATOM 0 HA LYS A 84 7.886 4.311 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.409 6.130 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.250 7.249 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.238 5.486 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.802 5.045 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.719 7.911 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.096 7.360 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.256 5.675 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.843 7.091 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.379 7.192 10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.306 8.443 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.737 7.072 10.551 1.00 0.00 H new ATOM 1335 N ALA A 85 6.366 3.992 7.271 1.00 0.00 N ATOM 1336 CA ALA A 85 5.385 3.706 8.303 1.00 0.00 C ATOM 1337 C ALA A 85 5.965 4.079 9.669 1.00 0.00 C ATOM 1338 O ALA A 85 7.182 4.149 9.833 1.00 0.00 O ATOM 1339 CB ALA A 85 4.975 2.234 8.225 1.00 0.00 C ATOM 0 H ALA A 85 7.049 3.251 7.116 1.00 0.00 H new ATOM 0 HA ALA A 85 4.485 4.303 8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.239 2.020 9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.542 2.028 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.852 1.604 8.374 1.00 0.00 H new ATOM 1345 N ASP A 86 5.066 4.307 10.616 1.00 0.00 N ATOM 1346 CA ASP A 86 5.473 4.671 11.962 1.00 0.00 C ATOM 1347 C ASP A 86 6.361 3.566 12.538 1.00 0.00 C ATOM 1348 O ASP A 86 7.480 3.828 12.976 1.00 0.00 O ATOM 1349 CB ASP A 86 4.259 4.829 12.881 1.00 0.00 C ATOM 1350 CG ASP A 86 4.585 5.243 14.317 1.00 0.00 C ATOM 1351 OD1 ASP A 86 5.794 5.311 14.628 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.618 5.483 15.072 1.00 0.00 O ATOM 0 H ASP A 86 4.057 4.247 10.477 1.00 0.00 H new ATOM 0 HA ASP A 86 6.010 5.618 11.907 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.589 5.571 12.448 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.715 3.885 12.906 1.00 0.00 H new ATOM 1357 N ASP A 87 5.828 2.352 12.518 1.00 0.00 N ATOM 1358 CA ASP A 87 6.558 1.206 13.033 1.00 0.00 C ATOM 1359 C ASP A 87 6.845 0.234 11.887 1.00 0.00 C ATOM 1360 O ASP A 87 6.596 0.548 10.724 1.00 0.00 O ATOM 1361 CB ASP A 87 5.741 0.462 14.091 1.00 0.00 C ATOM 1362 CG ASP A 87 6.497 0.134 15.379 1.00 0.00 C ATOM 1363 OD1 ASP A 87 7.641 -0.354 15.257 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.914 0.378 16.458 1.00 0.00 O ATOM 0 H ASP A 87 4.900 2.138 12.153 1.00 0.00 H new ATOM 0 HA ASP A 87 7.483 1.569 13.482 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.868 1.064 14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.373 -0.468 13.657 1.00 0.00 H new ATOM 1369 N ALA A 88 7.366 -0.927 12.256 1.00 0.00 N ATOM 1370 CA ALA A 88 7.690 -1.948 11.273 1.00 0.00 C ATOM 1371 C ALA A 88 6.479 -2.861 11.074 1.00 0.00 C ATOM 1372 O ALA A 88 6.076 -3.127 9.943 1.00 0.00 O ATOM 1373 CB ALA A 88 8.932 -2.717 11.726 1.00 0.00 C ATOM 0 H ALA A 88 7.572 -1.184 13.221 1.00 0.00 H new ATOM 0 HA ALA A 88 7.922 -1.493 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.175 -3.482 10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.771 -2.028 11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.736 -3.189 12.689 1.00 0.00 H new ATOM 1379 N HIS A 89 5.932 -3.316 12.192 1.00 0.00 N ATOM 1380 CA HIS A 89 4.774 -4.194 12.154 1.00 0.00 C ATOM 1381 C HIS A 89 3.707 -3.598 11.234 1.00 0.00 C ATOM 1382 O HIS A 89 2.970 -4.331 10.576 1.00 0.00 O ATOM 1383 CB HIS A 89 4.254 -4.467 13.567 1.00 0.00 C ATOM 1384 CG HIS A 89 4.976 -5.584 14.282 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.440 -6.852 14.425 1.00 0.00 N ATOM 1386 CD2 HIS A 89 6.195 -5.610 14.893 1.00 0.00 C ATOM 1387 CE1 HIS A 89 5.307 -7.600 15.093 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.393 -6.828 15.383 1.00 0.00 N ATOM 0 H HIS A 89 6.269 -3.094 13.129 1.00 0.00 H new ATOM 0 HA HIS A 89 5.060 -5.161 11.741 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.341 -3.555 14.158 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.193 -4.711 13.512 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.883 -4.780 14.966 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.176 -8.638 15.360 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.221 -7.136 15.893 1.00 0.00 H new ATOM 1396 N SER A 90 3.659 -2.274 11.217 1.00 0.00 N ATOM 1397 CA SER A 90 2.694 -1.571 10.389 1.00 0.00 C ATOM 1398 C SER A 90 3.052 -1.741 8.911 1.00 0.00 C ATOM 1399 O SER A 90 2.193 -2.072 8.095 1.00 0.00 O ATOM 1400 CB SER A 90 2.633 -0.087 10.753 1.00 0.00 C ATOM 1401 OG SER A 90 2.023 0.127 12.023 1.00 0.00 O ATOM 0 H SER A 90 4.273 -1.670 11.763 1.00 0.00 H new ATOM 0 HA SER A 90 1.709 -2.002 10.570 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.642 0.326 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.074 0.451 9.987 1.00 0.00 H new ATOM 0 HG SER A 90 2.005 1.087 12.220 1.00 0.00 H new ATOM 1407 N THR A 91 4.321 -1.506 8.612 1.00 0.00 N ATOM 1408 CA THR A 91 4.803 -1.629 7.246 1.00 0.00 C ATOM 1409 C THR A 91 4.177 -2.849 6.567 1.00 0.00 C ATOM 1410 O THR A 91 3.440 -2.711 5.592 1.00 0.00 O ATOM 1411 CB THR A 91 6.332 -1.674 7.287 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.700 -0.432 7.881 1.00 0.00 O ATOM 1413 CG2 THR A 91 6.956 -1.620 5.891 1.00 0.00 C ATOM 0 H THR A 91 5.030 -1.231 9.292 1.00 0.00 H new ATOM 0 HA THR A 91 4.504 -0.772 6.642 1.00 0.00 H new ATOM 0 HB THR A 91 6.655 -2.583 7.794 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.899 0.221 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.042 -1.655 5.976 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.611 -2.472 5.305 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.660 -0.695 5.396 1.00 0.00 H new ATOM 1421 N GLN A 92 4.493 -4.015 7.110 1.00 0.00 N ATOM 1422 CA GLN A 92 3.971 -5.258 6.569 1.00 0.00 C ATOM 1423 C GLN A 92 2.515 -5.078 6.133 1.00 0.00 C ATOM 1424 O GLN A 92 2.141 -5.466 5.027 1.00 0.00 O ATOM 1425 CB GLN A 92 4.102 -6.396 7.583 1.00 0.00 C ATOM 1426 CG GLN A 92 5.543 -6.907 7.650 1.00 0.00 C ATOM 1427 CD GLN A 92 5.922 -7.648 6.366 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.547 -6.890 5.470 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 5.665 -8.829 6.201 1.00 0.00 N flip ATOM 0 H GLN A 92 5.104 -4.125 7.919 1.00 0.00 H new ATOM 0 HA GLN A 92 4.562 -5.526 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.789 -6.048 8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.435 -7.213 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.223 -6.069 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.657 -7.573 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.182 -9.353 6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.933 -9.293 5.333 1.00 0.00 H new ATOM 1438 N ARG A 93 1.733 -4.488 7.025 1.00 0.00 N ATOM 1439 CA ARG A 93 0.327 -4.251 6.747 1.00 0.00 C ATOM 1440 C ARG A 93 0.172 -3.394 5.488 1.00 0.00 C ATOM 1441 O ARG A 93 -0.365 -3.855 4.482 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.356 -3.547 7.921 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.150 -4.326 9.222 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.364 -4.186 10.142 1.00 0.00 C ATOM 1445 NE ARG A 93 -1.023 -3.336 11.305 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.880 -3.028 12.288 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -3.134 -3.499 12.255 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.482 -2.250 13.304 1.00 0.00 N ATOM 0 H ARG A 93 2.047 -4.167 7.941 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.148 -5.220 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.045 -2.539 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.422 -3.446 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.021 -5.379 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.741 -3.960 9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.198 -3.748 9.593 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.688 -5.170 10.483 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.076 -2.961 11.362 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.436 -4.092 11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.787 -3.265 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.527 -1.892 13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.134 -2.015 14.052 1.00 0.00 H new ATOM 1462 N TRP A 94 0.652 -2.163 5.586 1.00 0.00 N ATOM 1463 CA TRP A 94 0.574 -1.239 4.467 1.00 0.00 C ATOM 1464 C TRP A 94 1.061 -1.969 3.215 1.00 0.00 C ATOM 1465 O TRP A 94 0.395 -1.948 2.181 1.00 0.00 O ATOM 1466 CB TRP A 94 1.361 0.041 4.758 1.00 0.00 C ATOM 1467 CG TRP A 94 0.596 1.065 5.599 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.756 1.350 6.898 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.463 1.933 5.142 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.118 2.335 7.311 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.883 2.701 6.210 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.046 2.066 3.870 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.903 3.655 6.113 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.064 3.023 3.790 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.499 3.804 4.855 1.00 0.00 C ATOM 0 H TRP A 94 1.096 -1.784 6.422 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.455 -0.918 4.303 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.284 -0.222 5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.646 0.503 3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.478 0.869 7.541 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.189 2.723 8.252 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.733 1.476 3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.213 4.244 6.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.546 3.165 2.834 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.293 4.522 4.712 1.00 0.00 H new ATOM 1486 N ILE A 95 2.220 -2.598 3.349 1.00 0.00 N ATOM 1487 CA ILE A 95 2.804 -3.334 2.240 1.00 0.00 C ATOM 1488 C ILE A 95 1.748 -4.261 1.636 1.00 0.00 C ATOM 1489 O ILE A 95 1.327 -4.070 0.496 1.00 0.00 O ATOM 1490 CB ILE A 95 4.075 -4.059 2.689 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.177 -3.061 3.049 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.535 -5.064 1.631 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.345 -3.762 3.746 1.00 0.00 C ATOM 0 H ILE A 95 2.770 -2.613 4.208 1.00 0.00 H new ATOM 0 HA ILE A 95 3.116 -2.650 1.451 1.00 0.00 H new ATOM 0 HB ILE A 95 3.845 -4.624 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.533 -2.565 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.772 -2.286 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.440 -5.565 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.751 -5.803 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.742 -4.540 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.115 -3.030 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.991 -4.236 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.763 -4.520 3.083 1.00 0.00 H new ATOM 1505 N ASP A 96 1.349 -5.247 2.427 1.00 0.00 N ATOM 1506 CA ASP A 96 0.350 -6.205 1.984 1.00 0.00 C ATOM 1507 C ASP A 96 -0.881 -5.452 1.476 1.00 0.00 C ATOM 1508 O ASP A 96 -1.470 -5.830 0.464 1.00 0.00 O ATOM 1509 CB ASP A 96 -0.091 -7.111 3.135 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.118 -8.605 2.807 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.791 -9.041 2.068 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.048 -9.278 3.302 1.00 0.00 O ATOM 0 H ASP A 96 1.700 -5.403 3.372 1.00 0.00 H new ATOM 0 HA ASP A 96 0.791 -6.814 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.579 -6.952 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.087 -6.807 3.456 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.234 -4.401 2.200 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.384 -3.592 1.835 1.00 0.00 C ATOM 1519 C ALA A 97 -2.211 -3.083 0.403 1.00 0.00 C ATOM 1520 O ALA A 97 -3.173 -3.032 -0.362 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.548 -2.452 2.843 1.00 0.00 C ATOM 0 H ALA A 97 -0.743 -4.090 3.039 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.296 -4.188 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.411 -1.845 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.698 -2.867 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.652 -1.831 2.839 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.977 -2.721 0.083 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.665 -2.218 -1.244 1.00 0.00 C ATOM 1529 C PHE A 98 -0.486 -3.367 -2.238 1.00 0.00 C ATOM 1530 O PHE A 98 -0.798 -3.226 -3.419 1.00 0.00 O ATOM 1531 CB PHE A 98 0.651 -1.446 -1.132 1.00 0.00 C ATOM 1532 CG PHE A 98 0.476 0.040 -0.813 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.193 0.848 -1.679 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.989 0.554 0.337 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.355 2.227 -1.383 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.826 1.933 0.634 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.158 2.740 -0.233 1.00 0.00 C ATOM 0 H PHE A 98 -0.182 -2.766 0.720 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.478 -1.586 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.264 -1.904 -0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.199 -1.544 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.601 0.440 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.521 -0.087 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.886 2.868 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.232 2.341 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.035 3.789 -0.008 1.00 0.00 H new ATOM 1547 N GLN A 99 0.017 -4.480 -1.722 1.00 0.00 N ATOM 1548 CA GLN A 99 0.241 -5.653 -2.550 1.00 0.00 C ATOM 1549 C GLN A 99 -1.093 -6.299 -2.928 1.00 0.00 C ATOM 1550 O GLN A 99 -1.400 -6.451 -4.109 1.00 0.00 O ATOM 1551 CB GLN A 99 1.155 -6.656 -1.842 1.00 0.00 C ATOM 1552 CG GLN A 99 2.605 -6.495 -2.302 1.00 0.00 C ATOM 1553 CD GLN A 99 2.780 -6.975 -3.744 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.202 -7.961 -4.172 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.608 -6.227 -4.467 1.00 0.00 N ATOM 0 H GLN A 99 0.275 -4.594 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 99 0.741 -5.338 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.094 -6.511 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.815 -7.671 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.900 -5.449 -2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.264 -7.062 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.059 -5.414 -4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.792 -6.466 -5.441 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.850 -6.661 -1.903 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.144 -7.287 -2.114 1.00 0.00 C ATOM 1566 C GLU A 100 -4.029 -6.396 -2.987 1.00 0.00 C ATOM 1567 O GLU A 100 -4.965 -6.878 -3.625 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.826 -7.599 -0.780 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.503 -9.021 -0.317 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.783 -9.831 -0.101 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.580 -9.900 -1.061 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.935 -10.363 1.020 1.00 0.00 O ATOM 0 H GLU A 100 -1.592 -6.533 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.988 -8.232 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.499 -6.884 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.905 -7.483 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.876 -9.515 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.931 -8.984 0.610 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.703 -5.112 -2.988 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.457 -4.149 -3.773 1.00 0.00 C ATOM 1581 C GLY A 101 -4.196 -4.337 -5.269 1.00 0.00 C ATOM 1582 O GLY A 101 -5.133 -4.480 -6.053 1.00 0.00 O ATOM 0 H GLY A 101 -2.927 -4.716 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.522 -4.262 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.181 -3.137 -3.476 1.00 0.00 H new ATOM 1586 N THR A 102 -2.918 -4.329 -5.620 1.00 0.00 N ATOM 1587 CA THR A 102 -2.523 -4.497 -7.008 1.00 0.00 C ATOM 1588 C THR A 102 -2.978 -5.861 -7.531 1.00 0.00 C ATOM 1589 O THR A 102 -3.455 -5.969 -8.660 1.00 0.00 O ATOM 1590 CB THR A 102 -1.010 -4.286 -7.097 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.474 -5.208 -6.152 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.577 -2.917 -6.568 1.00 0.00 C ATOM 0 H THR A 102 -2.143 -4.209 -4.967 1.00 0.00 H new ATOM 0 HA THR A 102 -3.007 -3.760 -7.649 1.00 0.00 H new ATOM 0 HB THR A 102 -0.690 -4.393 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.173 -5.467 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.505 -2.819 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.060 -2.132 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.868 -2.823 -5.522 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.813 -6.868 -6.687 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.201 -8.220 -7.050 1.00 0.00 C ATOM 1602 C VAL A 103 -4.697 -8.405 -6.786 1.00 0.00 C ATOM 1603 O VAL A 103 -5.432 -7.429 -6.645 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.332 -9.233 -6.301 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.847 -8.986 -6.570 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.630 -9.207 -4.800 1.00 0.00 C ATOM 0 H VAL A 103 -2.416 -6.775 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.035 -8.393 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.579 -10.227 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.252 -9.719 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.650 -9.079 -7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.579 -7.983 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.999 -9.936 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.425 -8.212 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.678 -9.455 -4.633 1.00 0.00 H new ATOM 1616 N SER A 104 -5.103 -9.665 -6.727 1.00 0.00 N ATOM 1617 CA SER A 104 -6.498 -9.990 -6.483 1.00 0.00 C ATOM 1618 C SER A 104 -6.607 -11.009 -5.346 1.00 0.00 C ATOM 1619 O SER A 104 -7.646 -11.644 -5.175 1.00 0.00 O ATOM 1620 CB SER A 104 -7.167 -10.534 -7.748 1.00 0.00 C ATOM 1621 OG SER A 104 -8.575 -10.678 -7.587 1.00 0.00 O ATOM 0 H SER A 104 -4.491 -10.472 -6.844 1.00 0.00 H new ATOM 0 HA SER A 104 -7.016 -9.075 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.964 -9.863 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.730 -11.500 -8.002 1.00 0.00 H new ATOM 0 HG SER A 104 -8.767 -11.046 -6.699 1.00 0.00 H new ATOM 1627 N GLY A 105 -5.519 -11.132 -4.599 1.00 0.00 N ATOM 1628 CA GLY A 105 -5.479 -12.062 -3.484 1.00 0.00 C ATOM 1629 C GLY A 105 -5.202 -13.487 -3.968 1.00 0.00 C ATOM 1630 O GLY A 105 -5.407 -13.799 -5.139 1.00 0.00 O ATOM 0 H GLY A 105 -4.659 -10.603 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.706 -11.757 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.428 -12.034 -2.948 1.00 0.00 H new ATOM 1634 N PRO A 106 -4.727 -14.335 -3.016 1.00 0.00 N ATOM 1635 CA PRO A 106 -4.419 -15.719 -3.333 1.00 0.00 C ATOM 1636 C PRO A 106 -5.698 -16.545 -3.481 1.00 0.00 C ATOM 1637 O PRO A 106 -6.086 -17.265 -2.561 1.00 0.00 O ATOM 1638 CB PRO A 106 -3.532 -16.195 -2.195 1.00 0.00 C ATOM 1639 CG PRO A 106 -3.754 -15.215 -1.054 1.00 0.00 C ATOM 1640 CD PRO A 106 -4.472 -13.999 -1.618 1.00 0.00 C ATOM 0 HA PRO A 106 -3.909 -15.828 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.793 -17.210 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.485 -16.212 -2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.347 -15.676 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.802 -14.924 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.401 -13.803 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.859 -13.102 -1.532 1.00 0.00 H new ATOM 1648 N SER A 107 -6.319 -16.414 -4.644 1.00 0.00 N ATOM 1649 CA SER A 107 -7.546 -17.140 -4.923 1.00 0.00 C ATOM 1650 C SER A 107 -7.949 -16.943 -6.386 1.00 0.00 C ATOM 1651 O SER A 107 -8.074 -15.812 -6.852 1.00 0.00 O ATOM 1652 CB SER A 107 -8.676 -16.688 -3.996 1.00 0.00 C ATOM 1653 OG SER A 107 -9.080 -17.723 -3.103 1.00 0.00 O ATOM 0 H SER A 107 -5.995 -15.816 -5.404 1.00 0.00 H new ATOM 0 HA SER A 107 -7.366 -18.200 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.349 -15.821 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.530 -16.371 -4.594 1.00 0.00 H new ATOM 0 HG SER A 107 -8.309 -18.021 -2.577 1.00 0.00 H new ATOM 1659 N SER A 108 -8.141 -18.062 -7.069 1.00 0.00 N ATOM 1660 CA SER A 108 -8.527 -18.026 -8.470 1.00 0.00 C ATOM 1661 C SER A 108 -10.051 -17.972 -8.591 1.00 0.00 C ATOM 1662 O SER A 108 -10.726 -18.990 -8.449 1.00 0.00 O ATOM 1663 CB SER A 108 -7.978 -19.240 -9.223 1.00 0.00 C ATOM 1664 OG SER A 108 -7.888 -19.001 -10.625 1.00 0.00 O ATOM 0 H SER A 108 -8.037 -18.999 -6.679 1.00 0.00 H new ATOM 0 HA SER A 108 -8.101 -17.129 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.992 -19.493 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.622 -20.101 -9.042 1.00 0.00 H new ATOM 0 HG SER A 108 -7.532 -19.798 -11.071 1.00 0.00 H new ATOM 1670 N GLY A 109 -10.550 -16.772 -8.853 1.00 0.00 N ATOM 1671 CA GLY A 109 -11.982 -16.571 -8.995 1.00 0.00 C ATOM 1672 C GLY A 109 -12.605 -16.113 -7.675 1.00 0.00 C ATOM 1673 O GLY A 109 -12.655 -16.875 -6.711 1.00 0.00 O ATOM 0 H GLY A 109 -9.988 -15.929 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.173 -15.828 -9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.453 -17.499 -9.321 1.00 0.00 H new TER 1677 GLY A 109