USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 101 PGM O2 : rot 180:sc= 0 USER MOD Set 2.1: A 50 ASN :FLIP amide:sc= -4.63! X(o=-5.4,f=-5!) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.337 X(o=-5,f=-5) USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0.0582 USER MOD Set 3.2: A 66 ASN :FLIP amide:sc= -2.04 F(o=-2.9,f=-2) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 104:sc= 0.628 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 13:sc= 0.715 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.023 (180deg=-0.212) USER MOD Single : A 40 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.56) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.39! USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 46 GLN : amide:sc= -0.795 K(o=-0.8,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 1.2 (180deg=0.552) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -21:sc= 0.292 USER MOD Single : A 86 THR OG1 : rot -160:sc= -1.06 USER MOD Single : A 87 ASN : amide:sc= -0.861 K(o=-0.86,f=-2.6!) USER MOD Single : A 90 THR OG1 : rot -61:sc= 1.09 USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= -0.0716 (180deg=-0.394) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot 130:sc= -0.181 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.568 -1.354 0.908 1.00 22.43 N ATOM 2 CA ALA A 1 3.157 -1.107 -0.402 1.00 3.22 C ATOM 3 C ALA A 1 3.590 -2.410 -1.064 1.00 71.43 C ATOM 4 O ALA A 1 4.464 -3.114 -0.558 1.00 64.21 O ATOM 5 CB ALA A 1 4.340 -0.158 -0.278 1.00 10.42 C ATOM 0 H1 ALA A 1 2.282 -0.450 1.336 1.00 22.43 H new ATOM 0 H2 ALA A 1 1.734 -1.967 0.804 1.00 22.43 H new ATOM 0 H3 ALA A 1 3.267 -1.821 1.520 1.00 22.43 H new ATOM 0 HA ALA A 1 2.398 -0.644 -1.033 1.00 3.22 H new ATOM 0 HB1 ALA A 1 4.770 0.018 -1.264 1.00 10.42 H new ATOM 0 HB2 ALA A 1 4.004 0.789 0.145 1.00 10.42 H new ATOM 0 HB3 ALA A 1 5.094 -0.600 0.374 1.00 10.42 H new ATOM 11 N ILE A 2 2.972 -2.726 -2.197 1.00 61.15 N ATOM 12 CA ILE A 2 3.294 -3.945 -2.929 1.00 24.24 C ATOM 13 C ILE A 2 4.618 -3.806 -3.673 1.00 23.35 C ATOM 14 O ILE A 2 5.337 -2.821 -3.504 1.00 33.14 O ATOM 15 CB ILE A 2 2.188 -4.306 -3.937 1.00 35.43 C ATOM 16 CG1 ILE A 2 2.132 -3.268 -5.059 1.00 75.45 C ATOM 17 CG2 ILE A 2 0.842 -4.407 -3.233 1.00 4.51 C ATOM 18 CD1 ILE A 2 1.079 -3.565 -6.104 1.00 52.14 C ATOM 0 H ILE A 2 2.245 -2.155 -2.628 1.00 61.15 H new ATOM 0 HA ILE A 2 3.376 -4.743 -2.191 1.00 24.24 H new ATOM 0 HB ILE A 2 2.420 -5.276 -4.377 1.00 35.43 H new ATOM 0 HG12 ILE A 2 1.936 -2.287 -4.626 1.00 75.45 H new ATOM 0 HG13 ILE A 2 3.107 -3.214 -5.543 1.00 75.45 H new ATOM 0 HG21 ILE A 2 0.070 -4.663 -3.959 1.00 4.51 H new ATOM 0 HG22 ILE A 2 0.890 -5.180 -2.466 1.00 4.51 H new ATOM 0 HG23 ILE A 2 0.601 -3.450 -2.769 1.00 4.51 H new ATOM 0 HD11 ILE A 2 1.096 -2.788 -6.869 1.00 52.14 H new ATOM 0 HD12 ILE A 2 1.285 -4.531 -6.564 1.00 52.14 H new ATOM 0 HD13 ILE A 2 0.096 -3.590 -5.633 1.00 52.14 H new ATOM 30 N SER A 3 4.934 -4.799 -4.498 1.00 21.21 N ATOM 31 CA SER A 3 6.173 -4.789 -5.267 1.00 71.21 C ATOM 32 C SER A 3 5.888 -4.594 -6.753 1.00 70.22 C ATOM 33 O SER A 3 5.356 -5.484 -7.417 1.00 71.14 O ATOM 34 CB SER A 3 6.943 -6.093 -5.051 1.00 30.24 C ATOM 35 OG SER A 3 6.832 -6.535 -3.709 1.00 14.54 O ATOM 0 H SER A 3 4.349 -5.621 -4.651 1.00 21.21 H new ATOM 0 HA SER A 3 6.781 -3.954 -4.918 1.00 71.21 H new ATOM 0 HB2 SER A 3 6.560 -6.861 -5.723 1.00 30.24 H new ATOM 0 HB3 SER A 3 7.993 -5.945 -5.303 1.00 30.24 H new ATOM 0 HG SER A 3 7.331 -7.371 -3.598 1.00 14.54 H new ATOM 41 N CYS A 4 6.246 -3.423 -7.269 1.00 60.11 N ATOM 42 CA CYS A 4 6.030 -3.108 -8.676 1.00 74.51 C ATOM 43 C CYS A 4 6.594 -4.207 -9.572 1.00 60.12 C ATOM 44 O CYS A 4 5.958 -4.621 -10.540 1.00 71.14 O ATOM 45 CB CYS A 4 6.677 -1.767 -9.026 1.00 21.13 C ATOM 46 SG CYS A 4 6.104 -1.053 -10.601 1.00 23.13 S ATOM 0 H CYS A 4 6.687 -2.676 -6.733 1.00 60.11 H new ATOM 0 HA CYS A 4 4.956 -3.040 -8.846 1.00 74.51 H new ATOM 0 HB2 CYS A 4 6.475 -1.058 -8.223 1.00 21.13 H new ATOM 0 HB3 CYS A 4 7.758 -1.898 -9.071 1.00 21.13 H new ATOM 51 N GLY A 5 7.794 -4.675 -9.241 1.00 73.42 N ATOM 52 CA GLY A 5 8.424 -5.721 -10.025 1.00 71.42 C ATOM 53 C GLY A 5 7.551 -6.954 -10.155 1.00 63.12 C ATOM 54 O GLY A 5 7.659 -7.699 -11.129 1.00 20.13 O ATOM 0 H GLY A 5 8.341 -4.348 -8.444 1.00 73.42 H new ATOM 0 HA2 GLY A 5 8.655 -5.337 -11.019 1.00 71.42 H new ATOM 0 HA3 GLY A 5 9.371 -5.997 -9.562 1.00 71.42 H new ATOM 58 N ALA A 6 6.685 -7.171 -9.171 1.00 4.35 N ATOM 59 CA ALA A 6 5.791 -8.321 -9.179 1.00 72.44 C ATOM 60 C ALA A 6 4.517 -8.021 -9.963 1.00 5.22 C ATOM 61 O ALA A 6 3.803 -8.933 -10.380 1.00 44.41 O ATOM 62 CB ALA A 6 5.451 -8.737 -7.756 1.00 1.24 C ATOM 0 H ALA A 6 6.584 -6.564 -8.357 1.00 4.35 H new ATOM 0 HA ALA A 6 6.305 -9.145 -9.673 1.00 72.44 H new ATOM 0 HB1 ALA A 6 4.782 -9.597 -7.778 1.00 1.24 H new ATOM 0 HB2 ALA A 6 6.366 -9.002 -7.226 1.00 1.24 H new ATOM 0 HB3 ALA A 6 4.961 -7.910 -7.242 1.00 1.24 H new ATOM 68 N VAL A 7 4.238 -6.736 -10.159 1.00 20.03 N ATOM 69 CA VAL A 7 3.051 -6.315 -10.893 1.00 35.25 C ATOM 70 C VAL A 7 3.186 -6.622 -12.380 1.00 32.54 C ATOM 71 O VAL A 7 2.316 -7.259 -12.976 1.00 2.13 O ATOM 72 CB VAL A 7 2.784 -4.809 -10.713 1.00 3.21 C ATOM 73 CG1 VAL A 7 1.520 -4.398 -11.452 1.00 42.14 C ATOM 74 CG2 VAL A 7 2.686 -4.458 -9.236 1.00 52.10 C ATOM 0 H VAL A 7 4.818 -5.969 -9.820 1.00 20.03 H new ATOM 0 HA VAL A 7 2.211 -6.877 -10.484 1.00 35.25 H new ATOM 0 HB VAL A 7 3.621 -4.256 -11.140 1.00 3.21 H new ATOM 0 HG11 VAL A 7 1.348 -3.331 -11.313 1.00 42.14 H new ATOM 0 HG12 VAL A 7 1.634 -4.612 -12.515 1.00 42.14 H new ATOM 0 HG13 VAL A 7 0.671 -4.957 -11.059 1.00 42.14 H new ATOM 0 HG21 VAL A 7 2.497 -3.390 -9.128 1.00 52.10 H new ATOM 0 HG22 VAL A 7 1.869 -5.019 -8.782 1.00 52.10 H new ATOM 0 HG23 VAL A 7 3.622 -4.713 -8.738 1.00 52.10 H new ATOM 84 N THR A 8 4.284 -6.166 -12.975 1.00 75.42 N ATOM 85 CA THR A 8 4.533 -6.392 -14.393 1.00 44.42 C ATOM 86 C THR A 8 4.947 -7.835 -14.656 1.00 74.22 C ATOM 87 O THR A 8 4.573 -8.423 -15.671 1.00 42.44 O ATOM 88 CB THR A 8 5.630 -5.450 -14.927 1.00 32.42 C ATOM 89 OG1 THR A 8 6.876 -5.734 -14.281 1.00 31.11 O ATOM 90 CG2 THR A 8 5.253 -3.995 -14.696 1.00 11.21 C ATOM 0 H THR A 8 5.014 -5.638 -12.497 1.00 75.42 H new ATOM 0 HA THR A 8 3.599 -6.184 -14.915 1.00 44.42 H new ATOM 0 HB THR A 8 5.731 -5.616 -15.999 1.00 32.42 H new ATOM 0 HG1 THR A 8 7.568 -5.133 -14.627 1.00 31.11 H new ATOM 0 HG21 THR A 8 6.042 -3.349 -15.081 1.00 11.21 H new ATOM 0 HG22 THR A 8 4.319 -3.775 -15.213 1.00 11.21 H new ATOM 0 HG23 THR A 8 5.127 -3.817 -13.628 1.00 11.21 H new ATOM 98 N SER A 9 5.719 -8.402 -13.735 1.00 20.01 N ATOM 99 CA SER A 9 6.186 -9.777 -13.869 1.00 74.02 C ATOM 100 C SER A 9 5.011 -10.751 -13.874 1.00 64.11 C ATOM 101 O SER A 9 5.013 -11.738 -14.610 1.00 34.44 O ATOM 102 CB SER A 9 7.147 -10.125 -12.731 1.00 70.22 C ATOM 103 OG SER A 9 8.445 -9.616 -12.986 1.00 15.42 O ATOM 0 H SER A 9 6.035 -7.930 -12.887 1.00 20.01 H new ATOM 0 HA SER A 9 6.713 -9.865 -14.819 1.00 74.02 H new ATOM 0 HB2 SER A 9 6.770 -9.715 -11.794 1.00 70.22 H new ATOM 0 HB3 SER A 9 7.195 -11.207 -12.609 1.00 70.22 H new ATOM 0 HG SER A 9 8.599 -8.821 -12.434 1.00 15.42 H new ATOM 109 N ASP A 10 4.011 -10.466 -13.048 1.00 51.32 N ATOM 110 CA ASP A 10 2.829 -11.315 -12.957 1.00 12.12 C ATOM 111 C ASP A 10 2.108 -11.389 -14.299 1.00 62.53 C ATOM 112 O ASP A 10 1.320 -12.304 -14.543 1.00 65.53 O ATOM 113 CB ASP A 10 1.877 -10.787 -11.882 1.00 24.21 C ATOM 114 CG ASP A 10 2.256 -11.258 -10.492 1.00 23.25 C ATOM 115 OD1 ASP A 10 1.656 -10.765 -9.513 1.00 43.45 O ATOM 116 OD2 ASP A 10 3.152 -12.121 -10.382 1.00 1.05 O ATOM 0 H ASP A 10 3.995 -9.653 -12.432 1.00 51.32 H new ATOM 0 HA ASP A 10 3.154 -12.319 -12.683 1.00 12.12 H new ATOM 0 HB2 ASP A 10 1.876 -9.697 -11.905 1.00 24.21 H new ATOM 0 HB3 ASP A 10 0.862 -11.112 -12.108 1.00 24.21 H new ATOM 121 N LEU A 11 2.382 -10.421 -15.166 1.00 61.14 N ATOM 122 CA LEU A 11 1.759 -10.376 -16.485 1.00 2.12 C ATOM 123 C LEU A 11 2.747 -10.796 -17.568 1.00 71.44 C ATOM 124 O LEU A 11 2.521 -10.558 -18.755 1.00 0.33 O ATOM 125 CB LEU A 11 1.235 -8.968 -16.775 1.00 31.41 C ATOM 126 CG LEU A 11 -0.016 -8.546 -16.004 1.00 72.11 C ATOM 127 CD1 LEU A 11 -0.531 -7.209 -16.514 1.00 75.20 C ATOM 128 CD2 LEU A 11 -1.096 -9.613 -16.114 1.00 2.11 C ATOM 0 H LEU A 11 3.031 -9.657 -14.980 1.00 61.14 H new ATOM 0 HA LEU A 11 0.924 -11.076 -16.490 1.00 2.12 H new ATOM 0 HB2 LEU A 11 2.030 -8.254 -16.558 1.00 31.41 H new ATOM 0 HB3 LEU A 11 1.023 -8.893 -17.842 1.00 31.41 H new ATOM 0 HG LEU A 11 0.249 -8.433 -14.953 1.00 72.11 H new ATOM 0 HD11 LEU A 11 -1.422 -6.925 -15.954 1.00 75.20 H new ATOM 0 HD12 LEU A 11 0.239 -6.448 -16.383 1.00 75.20 H new ATOM 0 HD13 LEU A 11 -0.780 -7.294 -17.572 1.00 75.20 H new ATOM 0 HD21 LEU A 11 -1.979 -9.296 -15.559 1.00 2.11 H new ATOM 0 HD22 LEU A 11 -1.359 -9.758 -17.162 1.00 2.11 H new ATOM 0 HD23 LEU A 11 -0.725 -10.550 -15.700 1.00 2.11 H new ATOM 140 N SER A 12 3.841 -11.425 -17.152 1.00 65.44 N ATOM 141 CA SER A 12 4.865 -11.878 -18.087 1.00 72.24 C ATOM 142 C SER A 12 4.260 -12.776 -19.162 1.00 54.35 C ATOM 143 O SER A 12 4.329 -12.489 -20.358 1.00 15.02 O ATOM 144 CB SER A 12 5.970 -12.630 -17.342 1.00 52.43 C ATOM 145 OG SER A 12 6.458 -13.714 -18.113 1.00 33.34 O ATOM 0 H SER A 12 4.042 -11.633 -16.174 1.00 65.44 H new ATOM 0 HA SER A 12 5.294 -11.000 -18.570 1.00 72.24 H new ATOM 0 HB2 SER A 12 6.787 -11.947 -17.111 1.00 52.43 H new ATOM 0 HB3 SER A 12 5.586 -13.000 -16.391 1.00 52.43 H new ATOM 0 HG SER A 12 7.164 -14.177 -17.616 1.00 33.34 H new ATOM 151 N PRO A 13 3.652 -13.890 -18.729 1.00 15.35 N ATOM 152 CA PRO A 13 3.021 -14.853 -19.637 1.00 5.43 C ATOM 153 C PRO A 13 1.758 -14.297 -20.284 1.00 75.43 C ATOM 154 O PRO A 13 1.239 -14.866 -21.246 1.00 0.13 O ATOM 155 CB PRO A 13 2.680 -16.032 -18.722 1.00 41.32 C ATOM 156 CG PRO A 13 2.550 -15.433 -17.364 1.00 52.34 C ATOM 157 CD PRO A 13 3.532 -14.295 -17.318 1.00 13.21 C ATOM 0 HA PRO A 13 3.673 -15.117 -20.469 1.00 5.43 H new ATOM 0 HB2 PRO A 13 1.754 -16.518 -19.031 1.00 41.32 H new ATOM 0 HB3 PRO A 13 3.462 -16.791 -18.747 1.00 41.32 H new ATOM 0 HG2 PRO A 13 1.534 -15.079 -17.189 1.00 52.34 H new ATOM 0 HG3 PRO A 13 2.769 -16.169 -16.590 1.00 52.34 H new ATOM 0 HD2 PRO A 13 3.170 -13.477 -16.695 1.00 13.21 H new ATOM 0 HD3 PRO A 13 4.492 -14.609 -16.907 1.00 13.21 H new ATOM 165 N CYS A 14 1.266 -13.183 -19.752 1.00 70.51 N ATOM 166 CA CYS A 14 0.062 -12.551 -20.278 1.00 4.42 C ATOM 167 C CYS A 14 0.409 -11.557 -21.383 1.00 12.44 C ATOM 168 O CYS A 14 -0.381 -11.332 -22.301 1.00 23.00 O ATOM 169 CB CYS A 14 -0.696 -11.839 -19.156 1.00 14.00 C ATOM 170 SG CYS A 14 -1.202 -12.933 -17.790 1.00 75.12 S ATOM 0 H CYS A 14 1.683 -12.699 -18.957 1.00 70.51 H new ATOM 0 HA CYS A 14 -0.574 -13.330 -20.700 1.00 4.42 H new ATOM 0 HB2 CYS A 14 -0.068 -11.043 -18.756 1.00 14.00 H new ATOM 0 HB3 CYS A 14 -1.583 -11.365 -19.575 1.00 14.00 H new ATOM 175 N LEU A 15 1.594 -10.964 -21.287 1.00 60.23 N ATOM 176 CA LEU A 15 2.046 -9.994 -22.278 1.00 64.14 C ATOM 177 C LEU A 15 1.745 -10.479 -23.693 1.00 31.54 C ATOM 178 O LEU A 15 1.339 -9.700 -24.555 1.00 74.24 O ATOM 179 CB LEU A 15 3.547 -9.739 -22.123 1.00 53.05 C ATOM 180 CG LEU A 15 4.056 -8.394 -22.643 1.00 60.23 C ATOM 181 CD1 LEU A 15 3.311 -7.248 -21.977 1.00 43.33 C ATOM 182 CD2 LEU A 15 5.554 -8.266 -22.411 1.00 45.41 C ATOM 0 H LEU A 15 2.259 -11.138 -20.533 1.00 60.23 H new ATOM 0 HA LEU A 15 1.505 -9.062 -22.111 1.00 64.14 H new ATOM 0 HB2 LEU A 15 3.801 -9.817 -21.066 1.00 53.05 H new ATOM 0 HB3 LEU A 15 4.086 -10.533 -22.640 1.00 53.05 H new ATOM 0 HG LEU A 15 3.869 -8.346 -23.716 1.00 60.23 H new ATOM 0 HD11 LEU A 15 3.687 -6.299 -22.359 1.00 43.33 H new ATOM 0 HD12 LEU A 15 2.246 -7.331 -22.195 1.00 43.33 H new ATOM 0 HD13 LEU A 15 3.465 -7.291 -20.899 1.00 43.33 H new ATOM 0 HD21 LEU A 15 5.899 -7.303 -22.787 1.00 45.41 H new ATOM 0 HD22 LEU A 15 5.764 -8.335 -21.344 1.00 45.41 H new ATOM 0 HD23 LEU A 15 6.073 -9.068 -22.936 1.00 45.41 H new ATOM 194 N THR A 16 1.945 -11.773 -23.924 1.00 35.40 N ATOM 195 CA THR A 16 1.693 -12.363 -25.233 1.00 23.53 C ATOM 196 C THR A 16 0.271 -12.077 -25.701 1.00 62.20 C ATOM 197 O THR A 16 0.063 -11.403 -26.710 1.00 64.23 O ATOM 198 CB THR A 16 1.919 -13.887 -25.215 1.00 32.14 C ATOM 199 OG1 THR A 16 3.284 -14.177 -24.892 1.00 53.45 O ATOM 200 CG2 THR A 16 1.569 -14.502 -26.561 1.00 52.03 C ATOM 0 H THR A 16 2.281 -12.432 -23.222 1.00 35.40 H new ATOM 0 HA THR A 16 2.399 -11.906 -25.927 1.00 23.53 H new ATOM 0 HB THR A 16 1.267 -14.319 -24.456 1.00 32.14 H new ATOM 0 HG1 THR A 16 3.418 -15.148 -24.881 1.00 53.45 H new ATOM 0 HG21 THR A 16 1.737 -15.578 -26.524 1.00 52.03 H new ATOM 0 HG22 THR A 16 0.521 -14.306 -26.789 1.00 52.03 H new ATOM 0 HG23 THR A 16 2.198 -14.063 -27.336 1.00 52.03 H new ATOM 208 N TYR A 17 -0.705 -12.593 -24.962 1.00 41.50 N ATOM 209 CA TYR A 17 -2.108 -12.393 -25.303 1.00 74.32 C ATOM 210 C TYR A 17 -2.484 -10.917 -25.224 1.00 12.15 C ATOM 211 O TYR A 17 -3.328 -10.437 -25.982 1.00 3.30 O ATOM 212 CB TYR A 17 -3.003 -13.210 -24.369 1.00 1.11 C ATOM 213 CG TYR A 17 -4.469 -12.855 -24.471 1.00 51.02 C ATOM 214 CD1 TYR A 17 -5.142 -12.284 -23.398 1.00 11.01 C ATOM 215 CD2 TYR A 17 -5.182 -13.091 -25.640 1.00 63.42 C ATOM 216 CE1 TYR A 17 -6.482 -11.959 -23.486 1.00 41.43 C ATOM 217 CE2 TYR A 17 -6.521 -12.768 -25.738 1.00 51.10 C ATOM 218 CZ TYR A 17 -7.167 -12.202 -24.659 1.00 22.05 C ATOM 219 OH TYR A 17 -8.501 -11.880 -24.752 1.00 13.34 O ATOM 0 H TYR A 17 -0.550 -13.153 -24.123 1.00 41.50 H new ATOM 0 HA TYR A 17 -2.258 -12.732 -26.328 1.00 74.32 H new ATOM 0 HB2 TYR A 17 -2.878 -14.269 -24.594 1.00 1.11 H new ATOM 0 HB3 TYR A 17 -2.673 -13.061 -23.341 1.00 1.11 H new ATOM 0 HD1 TYR A 17 -4.608 -12.091 -22.479 1.00 11.01 H new ATOM 0 HD2 TYR A 17 -4.680 -13.535 -26.487 1.00 63.42 H new ATOM 0 HE1 TYR A 17 -6.990 -11.517 -22.642 1.00 41.43 H new ATOM 0 HE2 TYR A 17 -7.059 -12.958 -26.655 1.00 51.10 H new ATOM 0 HH TYR A 17 -8.833 -12.114 -25.644 1.00 13.34 H new ATOM 229 N LEU A 18 -1.852 -10.201 -24.300 1.00 62.41 N ATOM 230 CA LEU A 18 -2.118 -8.778 -24.120 1.00 23.41 C ATOM 231 C LEU A 18 -1.554 -7.968 -25.283 1.00 12.45 C ATOM 232 O LEU A 18 -1.949 -6.822 -25.504 1.00 64.24 O ATOM 233 CB LEU A 18 -1.514 -8.289 -22.802 1.00 62.43 C ATOM 234 CG LEU A 18 -2.146 -8.847 -21.526 1.00 64.24 C ATOM 235 CD1 LEU A 18 -1.543 -8.184 -20.298 1.00 4.10 C ATOM 236 CD2 LEU A 18 -3.655 -8.656 -21.551 1.00 71.02 C ATOM 0 H LEU A 18 -1.152 -10.583 -23.664 1.00 62.41 H new ATOM 0 HA LEU A 18 -3.198 -8.636 -24.092 1.00 23.41 H new ATOM 0 HB2 LEU A 18 -0.453 -8.538 -22.797 1.00 62.43 H new ATOM 0 HB3 LEU A 18 -1.586 -7.202 -22.774 1.00 62.43 H new ATOM 0 HG LEU A 18 -1.936 -9.915 -21.476 1.00 64.24 H new ATOM 0 HD11 LEU A 18 -2.005 -8.594 -19.400 1.00 4.10 H new ATOM 0 HD12 LEU A 18 -0.470 -8.373 -20.273 1.00 4.10 H new ATOM 0 HD13 LEU A 18 -1.721 -7.110 -20.340 1.00 4.10 H new ATOM 0 HD21 LEU A 18 -4.088 -9.059 -20.635 1.00 71.02 H new ATOM 0 HD22 LEU A 18 -3.886 -7.593 -21.625 1.00 71.02 H new ATOM 0 HD23 LEU A 18 -4.074 -9.179 -22.411 1.00 71.02 H new ATOM 248 N THR A 19 -0.630 -8.570 -26.025 1.00 32.14 N ATOM 249 CA THR A 19 -0.013 -7.905 -27.165 1.00 71.23 C ATOM 250 C THR A 19 -0.609 -8.400 -28.478 1.00 50.44 C ATOM 251 O THR A 19 0.029 -8.325 -29.528 1.00 33.32 O ATOM 252 CB THR A 19 1.511 -8.130 -27.190 1.00 14.44 C ATOM 253 OG1 THR A 19 1.801 -9.529 -27.104 1.00 61.24 O ATOM 254 CG2 THR A 19 2.184 -7.396 -26.040 1.00 0.23 C ATOM 0 H THR A 19 -0.293 -9.518 -25.856 1.00 32.14 H new ATOM 0 HA THR A 19 -0.214 -6.839 -27.056 1.00 71.23 H new ATOM 0 HB THR A 19 1.899 -7.736 -28.129 1.00 14.44 H new ATOM 0 HG1 THR A 19 0.980 -10.043 -27.255 1.00 61.24 H new ATOM 0 HG21 THR A 19 3.260 -7.569 -26.078 1.00 0.23 H new ATOM 0 HG22 THR A 19 1.985 -6.328 -26.124 1.00 0.23 H new ATOM 0 HG23 THR A 19 1.790 -7.765 -25.093 1.00 0.23 H new ATOM 262 N GLY A 20 -1.837 -8.904 -28.413 1.00 35.43 N ATOM 263 CA GLY A 20 -2.499 -9.403 -29.604 1.00 71.21 C ATOM 264 C GLY A 20 -2.277 -10.888 -29.812 1.00 61.10 C ATOM 265 O GLY A 20 -2.920 -11.507 -30.659 1.00 13.33 O ATOM 0 H GLY A 20 -2.386 -8.976 -27.556 1.00 35.43 H new ATOM 0 HA2 GLY A 20 -3.568 -9.205 -29.531 1.00 71.21 H new ATOM 0 HA3 GLY A 20 -2.133 -8.859 -30.474 1.00 71.21 H new ATOM 269 N GLY A 21 -1.361 -11.462 -29.038 1.00 21.22 N ATOM 270 CA GLY A 21 -1.070 -12.879 -29.158 1.00 52.11 C ATOM 271 C GLY A 21 -2.231 -13.748 -28.718 1.00 31.44 C ATOM 272 O GLY A 21 -3.269 -13.257 -28.274 1.00 54.05 O ATOM 0 H GLY A 21 -0.815 -10.971 -28.330 1.00 21.22 H new ATOM 0 HA2 GLY A 21 -0.820 -13.109 -30.194 1.00 52.11 H new ATOM 0 HA3 GLY A 21 -0.193 -13.119 -28.557 1.00 52.11 H new ATOM 276 N PRO A 22 -2.063 -15.073 -28.840 1.00 23.55 N ATOM 277 CA PRO A 22 -3.095 -16.041 -28.457 1.00 32.22 C ATOM 278 C PRO A 22 -3.297 -16.107 -26.947 1.00 21.02 C ATOM 279 O PRO A 22 -2.369 -15.868 -26.176 1.00 4.23 O ATOM 280 CB PRO A 22 -2.547 -17.371 -28.982 1.00 12.34 C ATOM 281 CG PRO A 22 -1.071 -17.179 -29.029 1.00 25.41 C ATOM 282 CD PRO A 22 -0.851 -15.729 -29.360 1.00 32.11 C ATOM 0 HA PRO A 22 -4.072 -15.777 -28.863 1.00 32.22 H new ATOM 0 HB2 PRO A 22 -2.818 -18.198 -28.326 1.00 12.34 H new ATOM 0 HB3 PRO A 22 -2.948 -17.603 -29.969 1.00 12.34 H new ATOM 0 HG2 PRO A 22 -0.614 -17.434 -28.073 1.00 25.41 H new ATOM 0 HG3 PRO A 22 -0.618 -17.824 -29.782 1.00 25.41 H new ATOM 0 HD2 PRO A 22 0.051 -15.341 -28.886 1.00 32.11 H new ATOM 0 HD3 PRO A 22 -0.739 -15.574 -30.433 1.00 32.11 H new ATOM 290 N GLY A 23 -4.517 -16.434 -26.531 1.00 1.42 N ATOM 291 CA GLY A 23 -4.818 -16.525 -25.114 1.00 63.20 C ATOM 292 C GLY A 23 -6.225 -16.064 -24.789 1.00 63.51 C ATOM 293 O GLY A 23 -7.096 -16.001 -25.657 1.00 31.23 O ATOM 0 H GLY A 23 -5.302 -16.637 -27.150 1.00 1.42 H new ATOM 0 HA2 GLY A 23 -4.692 -17.556 -24.784 1.00 63.20 H new ATOM 0 HA3 GLY A 23 -4.103 -15.922 -24.554 1.00 63.20 H new ATOM 297 N PRO A 24 -6.463 -15.734 -23.511 1.00 72.22 N ATOM 298 CA PRO A 24 -5.434 -15.806 -22.470 1.00 20.13 C ATOM 299 C PRO A 24 -5.053 -17.243 -22.130 1.00 2.13 C ATOM 300 O PRO A 24 -5.919 -18.086 -21.896 1.00 64.11 O ATOM 301 CB PRO A 24 -6.098 -15.130 -21.268 1.00 31.35 C ATOM 302 CG PRO A 24 -7.560 -15.306 -21.494 1.00 50.10 C ATOM 303 CD PRO A 24 -7.756 -15.266 -22.984 1.00 41.44 C ATOM 0 HA PRO A 24 -4.504 -15.332 -22.783 1.00 20.13 H new ATOM 0 HB2 PRO A 24 -5.784 -15.591 -20.331 1.00 31.35 H new ATOM 0 HB3 PRO A 24 -5.831 -14.075 -21.210 1.00 31.35 H new ATOM 0 HG2 PRO A 24 -7.908 -16.252 -21.080 1.00 50.10 H new ATOM 0 HG3 PRO A 24 -8.129 -14.516 -21.004 1.00 50.10 H new ATOM 0 HD2 PRO A 24 -8.576 -15.912 -23.299 1.00 41.44 H new ATOM 0 HD3 PRO A 24 -7.991 -14.260 -23.331 1.00 41.44 H new ATOM 311 N SER A 25 -3.752 -17.515 -22.103 1.00 40.33 N ATOM 312 CA SER A 25 -3.256 -18.851 -21.795 1.00 34.01 C ATOM 313 C SER A 25 -3.579 -19.231 -20.353 1.00 1.42 C ATOM 314 O SER A 25 -3.907 -18.385 -19.520 1.00 32.30 O ATOM 315 CB SER A 25 -1.746 -18.924 -22.028 1.00 31.21 C ATOM 316 OG SER A 25 -1.138 -17.660 -21.829 1.00 25.12 O ATOM 0 H SER A 25 -3.022 -16.827 -22.291 1.00 40.33 H new ATOM 0 HA SER A 25 -3.753 -19.558 -22.459 1.00 34.01 H new ATOM 0 HB2 SER A 25 -1.305 -19.654 -21.349 1.00 31.21 H new ATOM 0 HB3 SER A 25 -1.548 -19.271 -23.042 1.00 31.21 H new ATOM 0 HG SER A 25 -0.173 -17.733 -21.982 1.00 25.12 H new ATOM 322 N PRO A 26 -3.484 -20.534 -20.049 1.00 42.44 N ATOM 323 CA PRO A 26 -3.761 -21.056 -18.708 1.00 64.42 C ATOM 324 C PRO A 26 -2.700 -20.642 -17.694 1.00 64.42 C ATOM 325 O PRO A 26 -2.995 -20.459 -16.514 1.00 32.53 O ATOM 326 CB PRO A 26 -3.745 -22.574 -18.909 1.00 13.12 C ATOM 327 CG PRO A 26 -2.880 -22.789 -20.103 1.00 34.45 C ATOM 328 CD PRO A 26 -3.098 -21.597 -20.992 1.00 50.13 C ATOM 0 HA PRO A 26 -4.700 -20.674 -18.308 1.00 64.42 H new ATOM 0 HB2 PRO A 26 -3.345 -23.085 -18.033 1.00 13.12 H new ATOM 0 HB3 PRO A 26 -4.750 -22.962 -19.073 1.00 13.12 H new ATOM 0 HG2 PRO A 26 -1.832 -22.875 -19.815 1.00 34.45 H new ATOM 0 HG3 PRO A 26 -3.146 -23.713 -20.617 1.00 34.45 H new ATOM 0 HD2 PRO A 26 -2.195 -21.336 -21.543 1.00 50.13 H new ATOM 0 HD3 PRO A 26 -3.879 -21.783 -21.729 1.00 50.13 H new ATOM 336 N GLN A 27 -1.465 -20.496 -18.163 1.00 64.32 N ATOM 337 CA GLN A 27 -0.360 -20.104 -17.296 1.00 12.12 C ATOM 338 C GLN A 27 -0.417 -18.612 -16.983 1.00 70.21 C ATOM 339 O GLN A 27 0.046 -18.169 -15.932 1.00 30.55 O ATOM 340 CB GLN A 27 0.978 -20.449 -17.951 1.00 42.02 C ATOM 341 CG GLN A 27 1.112 -21.917 -18.324 1.00 44.53 C ATOM 342 CD GLN A 27 2.396 -22.213 -19.074 1.00 24.13 C ATOM 343 OE1 GLN A 27 3.369 -22.698 -18.495 1.00 0.24 O ATOM 344 NE2 GLN A 27 2.406 -21.923 -20.369 1.00 64.05 N ATOM 0 H GLN A 27 -1.204 -20.643 -19.138 1.00 64.32 H new ATOM 0 HA GLN A 27 -0.451 -20.657 -16.361 1.00 12.12 H new ATOM 0 HB2 GLN A 27 1.101 -19.842 -18.848 1.00 42.02 H new ATOM 0 HB3 GLN A 27 1.786 -20.180 -17.271 1.00 42.02 H new ATOM 0 HG2 GLN A 27 1.077 -22.523 -17.419 1.00 44.53 H new ATOM 0 HG3 GLN A 27 0.261 -22.211 -18.938 1.00 44.53 H new ATOM 0 HE21 GLN A 27 1.577 -21.522 -20.808 1.00 64.05 H new ATOM 0 HE22 GLN A 27 3.242 -22.101 -20.925 1.00 64.05 H new ATOM 353 N CYS A 28 -0.987 -17.841 -17.903 1.00 73.30 N ATOM 354 CA CYS A 28 -1.104 -16.399 -17.727 1.00 14.22 C ATOM 355 C CYS A 28 -2.144 -16.064 -16.662 1.00 14.44 C ATOM 356 O CYS A 28 -1.870 -15.313 -15.725 1.00 31.03 O ATOM 357 CB CYS A 28 -1.481 -15.731 -19.051 1.00 30.21 C ATOM 358 SG CYS A 28 -2.475 -14.216 -18.863 1.00 74.34 S ATOM 0 H CYS A 28 -1.375 -18.192 -18.779 1.00 73.30 H new ATOM 0 HA CYS A 28 -0.137 -16.019 -17.398 1.00 14.22 H new ATOM 0 HB2 CYS A 28 -0.569 -15.489 -19.596 1.00 30.21 H new ATOM 0 HB3 CYS A 28 -2.037 -16.444 -19.660 1.00 30.21 H new ATOM 363 N CYS A 29 -3.339 -16.625 -16.812 1.00 32.43 N ATOM 364 CA CYS A 29 -4.421 -16.387 -15.864 1.00 72.32 C ATOM 365 C CYS A 29 -3.955 -16.636 -14.433 1.00 12.14 C ATOM 366 O CYS A 29 -4.394 -15.964 -13.500 1.00 74.40 O ATOM 367 CB CYS A 29 -5.616 -17.286 -16.186 1.00 75.45 C ATOM 368 SG CYS A 29 -6.811 -16.548 -17.347 1.00 64.14 S ATOM 0 H CYS A 29 -3.583 -17.248 -17.582 1.00 32.43 H new ATOM 0 HA CYS A 29 -4.725 -15.344 -15.952 1.00 72.32 H new ATOM 0 HB2 CYS A 29 -5.249 -18.223 -16.605 1.00 75.45 H new ATOM 0 HB3 CYS A 29 -6.132 -17.532 -15.258 1.00 75.45 H new ATOM 373 N GLY A 30 -3.062 -17.606 -14.267 1.00 25.51 N ATOM 374 CA GLY A 30 -2.550 -17.927 -12.947 1.00 53.20 C ATOM 375 C GLY A 30 -1.969 -16.718 -12.241 1.00 41.13 C ATOM 376 O GLY A 30 -2.206 -16.511 -11.052 1.00 24.21 O ATOM 0 H GLY A 30 -2.683 -18.176 -15.023 1.00 25.51 H new ATOM 0 HA2 GLY A 30 -3.353 -18.346 -12.341 1.00 53.20 H new ATOM 0 HA3 GLY A 30 -1.783 -18.696 -13.035 1.00 53.20 H new ATOM 380 N GLY A 31 -1.203 -15.917 -12.976 1.00 54.33 N ATOM 381 CA GLY A 31 -0.597 -14.733 -12.396 1.00 43.10 C ATOM 382 C GLY A 31 -1.593 -13.607 -12.200 1.00 70.53 C ATOM 383 O GLY A 31 -1.570 -12.919 -11.180 1.00 15.10 O ATOM 0 H GLY A 31 -0.992 -16.067 -13.962 1.00 54.33 H new ATOM 0 HA2 GLY A 31 -0.151 -14.991 -11.435 1.00 43.10 H new ATOM 0 HA3 GLY A 31 0.212 -14.390 -13.041 1.00 43.10 H new ATOM 387 N VAL A 32 -2.470 -13.418 -13.181 1.00 42.03 N ATOM 388 CA VAL A 32 -3.479 -12.368 -13.113 1.00 4.53 C ATOM 389 C VAL A 32 -4.244 -12.426 -11.796 1.00 11.14 C ATOM 390 O VAL A 32 -4.449 -11.406 -11.138 1.00 3.45 O ATOM 391 CB VAL A 32 -4.478 -12.472 -14.280 1.00 31.21 C ATOM 392 CG1 VAL A 32 -5.539 -11.388 -14.173 1.00 53.32 C ATOM 393 CG2 VAL A 32 -3.750 -12.388 -15.613 1.00 74.31 C ATOM 0 H VAL A 32 -2.502 -13.979 -14.032 1.00 42.03 H new ATOM 0 HA VAL A 32 -2.951 -11.417 -13.182 1.00 4.53 H new ATOM 0 HB VAL A 32 -4.976 -13.440 -14.224 1.00 31.21 H new ATOM 0 HG11 VAL A 32 -6.236 -11.478 -15.006 1.00 53.32 H new ATOM 0 HG12 VAL A 32 -6.080 -11.500 -13.234 1.00 53.32 H new ATOM 0 HG13 VAL A 32 -5.062 -10.408 -14.202 1.00 53.32 H new ATOM 0 HG21 VAL A 32 -4.471 -12.463 -16.427 1.00 74.31 H new ATOM 0 HG22 VAL A 32 -3.224 -11.436 -15.681 1.00 74.31 H new ATOM 0 HG23 VAL A 32 -3.032 -13.205 -15.688 1.00 74.31 H new ATOM 403 N LYS A 33 -4.665 -13.627 -11.415 1.00 74.34 N ATOM 404 CA LYS A 33 -5.407 -13.821 -10.175 1.00 75.33 C ATOM 405 C LYS A 33 -4.554 -13.451 -8.967 1.00 2.22 C ATOM 406 O LYS A 33 -5.025 -12.794 -8.038 1.00 75.31 O ATOM 407 CB LYS A 33 -5.874 -15.274 -10.058 1.00 24.22 C ATOM 408 CG LYS A 33 -6.829 -15.698 -11.160 1.00 44.33 C ATOM 409 CD LYS A 33 -6.609 -17.147 -11.562 1.00 13.31 C ATOM 410 CE LYS A 33 -7.642 -17.605 -12.580 1.00 64.15 C ATOM 411 NZ LYS A 33 -8.072 -19.010 -12.340 1.00 32.21 N ATOM 0 H LYS A 33 -4.505 -14.482 -11.948 1.00 74.34 H new ATOM 0 HA LYS A 33 -6.278 -13.166 -10.196 1.00 75.33 H new ATOM 0 HB2 LYS A 33 -5.003 -15.929 -10.072 1.00 24.22 H new ATOM 0 HB3 LYS A 33 -6.362 -15.413 -9.093 1.00 24.22 H new ATOM 0 HG2 LYS A 33 -7.857 -15.565 -10.823 1.00 44.33 H new ATOM 0 HG3 LYS A 33 -6.693 -15.054 -12.029 1.00 44.33 H new ATOM 0 HD2 LYS A 33 -5.609 -17.262 -11.980 1.00 13.31 H new ATOM 0 HD3 LYS A 33 -6.660 -17.783 -10.678 1.00 13.31 H new ATOM 0 HE2 LYS A 33 -8.510 -16.947 -12.538 1.00 64.15 H new ATOM 0 HE3 LYS A 33 -7.226 -17.519 -13.584 1.00 64.15 H new ATOM 0 HZ1 LYS A 33 -8.776 -19.284 -13.055 1.00 32.21 H new ATOM 0 HZ2 LYS A 33 -7.248 -19.641 -12.406 1.00 32.21 H new ATOM 0 HZ3 LYS A 33 -8.493 -19.087 -11.392 1.00 32.21 H new ATOM 425 N LYS A 34 -3.295 -13.874 -8.985 1.00 64.44 N ATOM 426 CA LYS A 34 -2.373 -13.585 -7.893 1.00 33.22 C ATOM 427 C LYS A 34 -2.161 -12.082 -7.743 1.00 72.14 C ATOM 428 O LYS A 34 -2.095 -11.562 -6.629 1.00 5.02 O ATOM 429 CB LYS A 34 -1.031 -14.279 -8.133 1.00 63.14 C ATOM 430 CG LYS A 34 -0.018 -14.044 -7.026 1.00 63.23 C ATOM 431 CD LYS A 34 0.841 -15.274 -6.786 1.00 63.42 C ATOM 432 CE LYS A 34 1.784 -15.075 -5.610 1.00 2.15 C ATOM 433 NZ LYS A 34 2.617 -13.850 -5.767 1.00 72.44 N ATOM 0 H LYS A 34 -2.889 -14.419 -9.745 1.00 64.44 H new ATOM 0 HA LYS A 34 -2.812 -13.966 -6.971 1.00 33.22 H new ATOM 0 HB2 LYS A 34 -1.199 -15.351 -8.238 1.00 63.14 H new ATOM 0 HB3 LYS A 34 -0.613 -13.928 -9.077 1.00 63.14 H new ATOM 0 HG2 LYS A 34 0.619 -13.199 -7.288 1.00 63.23 H new ATOM 0 HG3 LYS A 34 -0.538 -13.777 -6.106 1.00 63.23 H new ATOM 0 HD2 LYS A 34 0.200 -16.135 -6.598 1.00 63.42 H new ATOM 0 HD3 LYS A 34 1.419 -15.496 -7.683 1.00 63.42 H new ATOM 0 HE2 LYS A 34 1.206 -15.005 -4.689 1.00 2.15 H new ATOM 0 HE3 LYS A 34 2.433 -15.945 -5.514 1.00 2.15 H new ATOM 0 HZ1 LYS A 34 3.369 -13.847 -5.049 1.00 72.44 H new ATOM 0 HZ2 LYS A 34 3.044 -13.840 -6.715 1.00 72.44 H new ATOM 0 HZ3 LYS A 34 2.020 -13.007 -5.647 1.00 72.44 H new ATOM 447 N LEU A 35 -2.057 -11.389 -8.872 1.00 13.01 N ATOM 448 CA LEU A 35 -1.854 -9.944 -8.866 1.00 74.35 C ATOM 449 C LEU A 35 -3.081 -9.224 -8.315 1.00 24.35 C ATOM 450 O LEU A 35 -2.973 -8.398 -7.407 1.00 62.31 O ATOM 451 CB LEU A 35 -1.550 -9.447 -10.281 1.00 14.13 C ATOM 452 CG LEU A 35 -1.580 -7.931 -10.480 1.00 72.20 C ATOM 453 CD1 LEU A 35 -0.727 -7.238 -9.430 1.00 5.24 C ATOM 454 CD2 LEU A 35 -1.106 -7.568 -11.880 1.00 14.13 C ATOM 0 H LEU A 35 -2.110 -11.804 -9.802 1.00 13.01 H new ATOM 0 HA LEU A 35 -1.005 -9.723 -8.219 1.00 74.35 H new ATOM 0 HB2 LEU A 35 -0.564 -9.812 -10.569 1.00 14.13 H new ATOM 0 HB3 LEU A 35 -2.269 -9.898 -10.965 1.00 14.13 H new ATOM 0 HG LEU A 35 -2.609 -7.589 -10.366 1.00 72.20 H new ATOM 0 HD11 LEU A 35 -0.761 -6.160 -9.588 1.00 5.24 H new ATOM 0 HD12 LEU A 35 -1.111 -7.472 -8.437 1.00 5.24 H new ATOM 0 HD13 LEU A 35 0.303 -7.585 -9.511 1.00 5.24 H new ATOM 0 HD21 LEU A 35 -1.134 -6.485 -12.004 1.00 14.13 H new ATOM 0 HD22 LEU A 35 -0.085 -7.924 -12.022 1.00 14.13 H new ATOM 0 HD23 LEU A 35 -1.759 -8.035 -12.618 1.00 14.13 H new ATOM 466 N LEU A 36 -4.246 -9.544 -8.866 1.00 70.01 N ATOM 467 CA LEU A 36 -5.494 -8.929 -8.428 1.00 33.44 C ATOM 468 C LEU A 36 -5.790 -9.276 -6.972 1.00 72.40 C ATOM 469 O LEU A 36 -6.259 -8.435 -6.206 1.00 71.11 O ATOM 470 CB LEU A 36 -6.651 -9.387 -9.318 1.00 51.50 C ATOM 471 CG LEU A 36 -6.726 -8.744 -10.704 1.00 22.23 C ATOM 472 CD1 LEU A 36 -7.794 -9.421 -11.549 1.00 24.21 C ATOM 473 CD2 LEU A 36 -7.003 -7.253 -10.586 1.00 5.51 C ATOM 0 H LEU A 36 -4.353 -10.226 -9.617 1.00 70.01 H new ATOM 0 HA LEU A 36 -5.386 -7.847 -8.510 1.00 33.44 H new ATOM 0 HB2 LEU A 36 -6.581 -10.467 -9.444 1.00 51.50 H new ATOM 0 HB3 LEU A 36 -7.586 -9.187 -8.795 1.00 51.50 H new ATOM 0 HG LEU A 36 -5.763 -8.876 -11.197 1.00 22.23 H new ATOM 0 HD11 LEU A 36 -7.833 -8.950 -12.531 1.00 24.21 H new ATOM 0 HD12 LEU A 36 -7.553 -10.478 -11.662 1.00 24.21 H new ATOM 0 HD13 LEU A 36 -8.763 -9.321 -11.060 1.00 24.21 H new ATOM 0 HD21 LEU A 36 -7.053 -6.812 -11.582 1.00 5.51 H new ATOM 0 HD22 LEU A 36 -7.952 -7.099 -10.073 1.00 5.51 H new ATOM 0 HD23 LEU A 36 -6.203 -6.778 -10.019 1.00 5.51 H new ATOM 485 N ALA A 37 -5.511 -10.520 -6.597 1.00 62.41 N ATOM 486 CA ALA A 37 -5.743 -10.977 -5.233 1.00 21.44 C ATOM 487 C ALA A 37 -4.856 -10.228 -4.244 1.00 63.13 C ATOM 488 O ALA A 37 -5.143 -10.183 -3.049 1.00 0.24 O ATOM 489 CB ALA A 37 -5.502 -12.476 -5.130 1.00 31.23 C ATOM 0 H ALA A 37 -5.124 -11.229 -7.219 1.00 62.41 H new ATOM 0 HA ALA A 37 -6.782 -10.769 -4.979 1.00 21.44 H new ATOM 0 HB1 ALA A 37 -5.679 -12.803 -4.106 1.00 31.23 H new ATOM 0 HB2 ALA A 37 -6.182 -13.001 -5.801 1.00 31.23 H new ATOM 0 HB3 ALA A 37 -4.472 -12.699 -5.409 1.00 31.23 H new ATOM 495 N ALA A 38 -3.776 -9.642 -4.752 1.00 32.12 N ATOM 496 CA ALA A 38 -2.848 -8.894 -3.914 1.00 2.35 C ATOM 497 C ALA A 38 -3.321 -7.457 -3.717 1.00 60.52 C ATOM 498 O ALA A 38 -3.165 -6.885 -2.639 1.00 51.43 O ATOM 499 CB ALA A 38 -1.454 -8.914 -4.522 1.00 45.42 C ATOM 0 H ALA A 38 -3.523 -9.671 -5.740 1.00 32.12 H new ATOM 0 HA ALA A 38 -2.813 -9.374 -2.936 1.00 2.35 H new ATOM 0 HB1 ALA A 38 -0.771 -8.351 -3.885 1.00 45.42 H new ATOM 0 HB2 ALA A 38 -1.108 -9.944 -4.604 1.00 45.42 H new ATOM 0 HB3 ALA A 38 -1.483 -8.461 -5.513 1.00 45.42 H new ATOM 505 N ALA A 39 -3.899 -6.881 -4.766 1.00 62.10 N ATOM 506 CA ALA A 39 -4.396 -5.512 -4.708 1.00 23.01 C ATOM 507 C ALA A 39 -5.731 -5.443 -3.975 1.00 74.43 C ATOM 508 O ALA A 39 -6.763 -5.143 -4.574 1.00 13.34 O ATOM 509 CB ALA A 39 -4.531 -4.940 -6.111 1.00 52.31 C ATOM 0 H ALA A 39 -4.035 -7.341 -5.666 1.00 62.10 H new ATOM 0 HA ALA A 39 -3.675 -4.913 -4.151 1.00 23.01 H new ATOM 0 HB1 ALA A 39 -4.903 -3.917 -6.053 1.00 52.31 H new ATOM 0 HB2 ALA A 39 -3.557 -4.945 -6.601 1.00 52.31 H new ATOM 0 HB3 ALA A 39 -5.229 -5.548 -6.686 1.00 52.31 H new ATOM 515 N ASN A 40 -5.704 -5.725 -2.677 1.00 21.04 N ATOM 516 CA ASN A 40 -6.914 -5.696 -1.863 1.00 24.44 C ATOM 517 C ASN A 40 -7.013 -4.390 -1.082 1.00 0.53 C ATOM 518 O ASN A 40 -7.997 -4.143 -0.384 1.00 32.04 O ATOM 519 CB ASN A 40 -6.932 -6.883 -0.897 1.00 61.11 C ATOM 520 CG ASN A 40 -8.230 -6.976 -0.119 1.00 53.32 C ATOM 521 OD1 ASN A 40 -8.334 -6.472 0.999 1.00 20.14 O ATOM 522 ND2 ASN A 40 -9.229 -7.622 -0.710 1.00 22.14 N ATOM 0 H ASN A 40 -4.858 -5.976 -2.166 1.00 21.04 H new ATOM 0 HA ASN A 40 -7.773 -5.766 -2.531 1.00 24.44 H new ATOM 0 HB2 ASN A 40 -6.780 -7.806 -1.457 1.00 61.11 H new ATOM 0 HB3 ASN A 40 -6.099 -6.793 -0.200 1.00 61.11 H new ATOM 0 HD21 ASN A 40 -10.127 -7.716 -0.236 1.00 22.14 H new ATOM 0 HD22 ASN A 40 -9.098 -8.024 -1.638 1.00 22.14 H new ATOM 529 N THR A 41 -5.987 -3.553 -1.205 1.00 24.45 N ATOM 530 CA THR A 41 -5.957 -2.272 -0.511 1.00 32.24 C ATOM 531 C THR A 41 -5.957 -1.112 -1.499 1.00 4.51 C ATOM 532 O THR A 41 -5.743 -1.302 -2.697 1.00 15.11 O ATOM 533 CB THR A 41 -4.722 -2.155 0.402 1.00 65.55 C ATOM 534 OG1 THR A 41 -3.712 -3.079 -0.021 1.00 30.24 O ATOM 535 CG2 THR A 41 -5.092 -2.429 1.852 1.00 44.44 C ATOM 0 H THR A 41 -5.165 -3.740 -1.780 1.00 24.45 H new ATOM 0 HA THR A 41 -6.857 -2.224 0.102 1.00 32.24 H new ATOM 0 HB THR A 41 -4.338 -1.138 0.328 1.00 65.55 H new ATOM 0 HG1 THR A 41 -3.083 -3.235 0.714 1.00 30.24 H new ATOM 0 HG21 THR A 41 -4.204 -2.340 2.477 1.00 44.44 H new ATOM 0 HG22 THR A 41 -5.840 -1.707 2.179 1.00 44.44 H new ATOM 0 HG23 THR A 41 -5.498 -3.437 1.940 1.00 44.44 H new ATOM 543 N THR A 42 -6.196 0.093 -0.990 1.00 42.21 N ATOM 544 CA THR A 42 -6.223 1.285 -1.828 1.00 53.23 C ATOM 545 C THR A 42 -4.845 1.581 -2.409 1.00 72.20 C ATOM 546 O THR A 42 -4.674 1.730 -3.619 1.00 41.10 O ATOM 547 CB THR A 42 -6.710 2.515 -1.040 1.00 12.44 C ATOM 548 OG1 THR A 42 -8.141 2.531 -0.991 1.00 12.21 O ATOM 549 CG2 THR A 42 -6.205 3.801 -1.677 1.00 13.22 C ATOM 0 H THR A 42 -6.374 0.269 -0.001 1.00 42.21 H new ATOM 0 HA THR A 42 -6.921 1.083 -2.641 1.00 53.23 H new ATOM 0 HB THR A 42 -6.313 2.450 -0.027 1.00 12.44 H new ATOM 0 HG1 THR A 42 -8.442 3.315 -0.487 1.00 12.21 H new ATOM 0 HG21 THR A 42 -6.562 4.656 -1.103 1.00 13.22 H new ATOM 0 HG22 THR A 42 -5.115 3.799 -1.686 1.00 13.22 H new ATOM 0 HG23 THR A 42 -6.576 3.870 -2.700 1.00 13.22 H new ATOM 557 N PRO A 43 -3.837 1.667 -1.528 1.00 52.23 N ATOM 558 CA PRO A 43 -2.455 1.945 -1.932 1.00 34.55 C ATOM 559 C PRO A 43 -1.826 0.778 -2.686 1.00 33.03 C ATOM 560 O PRO A 43 -0.760 0.917 -3.285 1.00 70.22 O ATOM 561 CB PRO A 43 -1.736 2.170 -0.600 1.00 3.35 C ATOM 562 CG PRO A 43 -2.543 1.416 0.400 1.00 52.31 C ATOM 563 CD PRO A 43 -3.969 1.500 -0.071 1.00 43.32 C ATOM 0 HA PRO A 43 -2.392 2.792 -2.615 1.00 34.55 H new ATOM 0 HB2 PRO A 43 -0.710 1.804 -0.637 1.00 3.35 H new ATOM 0 HB3 PRO A 43 -1.687 3.230 -0.351 1.00 3.35 H new ATOM 0 HG2 PRO A 43 -2.214 0.379 0.465 1.00 52.31 H new ATOM 0 HG3 PRO A 43 -2.434 1.848 1.395 1.00 52.31 H new ATOM 0 HD2 PRO A 43 -4.529 0.600 0.181 1.00 43.32 H new ATOM 0 HD3 PRO A 43 -4.494 2.340 0.384 1.00 43.32 H new ATOM 571 N ASP A 44 -2.493 -0.370 -2.652 1.00 71.50 N ATOM 572 CA ASP A 44 -2.000 -1.561 -3.334 1.00 63.31 C ATOM 573 C ASP A 44 -2.486 -1.600 -4.780 1.00 21.35 C ATOM 574 O ASP A 44 -1.764 -2.038 -5.676 1.00 13.21 O ATOM 575 CB ASP A 44 -2.453 -2.822 -2.596 1.00 62.14 C ATOM 576 CG ASP A 44 -1.511 -3.205 -1.472 1.00 10.23 C ATOM 577 OD1 ASP A 44 -0.808 -2.310 -0.956 1.00 31.52 O ATOM 578 OD2 ASP A 44 -1.478 -4.398 -1.107 1.00 25.43 O ATOM 0 H ASP A 44 -3.377 -0.501 -2.160 1.00 71.50 H new ATOM 0 HA ASP A 44 -0.911 -1.523 -3.337 1.00 63.31 H new ATOM 0 HB2 ASP A 44 -3.452 -2.663 -2.190 1.00 62.14 H new ATOM 0 HB3 ASP A 44 -2.524 -3.648 -3.304 1.00 62.14 H new ATOM 583 N ARG A 45 -3.714 -1.141 -4.998 1.00 63.01 N ATOM 584 CA ARG A 45 -4.297 -1.126 -6.334 1.00 51.41 C ATOM 585 C ARG A 45 -3.681 -0.018 -7.183 1.00 54.45 C ATOM 586 O ARG A 45 -3.396 -0.214 -8.364 1.00 61.42 O ATOM 587 CB ARG A 45 -5.813 -0.936 -6.250 1.00 3.32 C ATOM 588 CG ARG A 45 -6.509 -1.972 -5.383 1.00 10.13 C ATOM 589 CD ARG A 45 -7.444 -2.847 -6.203 1.00 14.34 C ATOM 590 NE ARG A 45 -8.373 -2.054 -7.004 1.00 61.12 N ATOM 591 CZ ARG A 45 -9.270 -2.584 -7.828 1.00 70.11 C ATOM 592 NH1 ARG A 45 -9.360 -3.901 -7.958 1.00 4.42 N ATOM 593 NH2 ARG A 45 -10.080 -1.797 -8.524 1.00 13.21 N ATOM 0 H ARG A 45 -4.324 -0.775 -4.267 1.00 63.01 H new ATOM 0 HA ARG A 45 -4.084 -2.084 -6.807 1.00 51.41 H new ATOM 0 HB2 ARG A 45 -6.025 0.058 -5.855 1.00 3.32 H new ATOM 0 HB3 ARG A 45 -6.232 -0.975 -7.256 1.00 3.32 H new ATOM 0 HG2 ARG A 45 -5.763 -2.596 -4.891 1.00 10.13 H new ATOM 0 HG3 ARG A 45 -7.074 -1.470 -4.597 1.00 10.13 H new ATOM 0 HD2 ARG A 45 -6.857 -3.490 -6.859 1.00 14.34 H new ATOM 0 HD3 ARG A 45 -8.007 -3.501 -5.536 1.00 14.34 H new ATOM 0 HE ARG A 45 -8.331 -1.038 -6.926 1.00 61.12 H new ATOM 0 HH11 ARG A 45 -8.739 -4.510 -7.424 1.00 4.42 H new ATOM 0 HH12 ARG A 45 -10.050 -4.305 -8.592 1.00 4.42 H new ATOM 0 HH21 ARG A 45 -10.014 -0.784 -8.427 1.00 13.21 H new ATOM 0 HH22 ARG A 45 -10.768 -2.205 -9.156 1.00 13.21 H new ATOM 607 N GLN A 46 -3.481 1.146 -6.574 1.00 3.23 N ATOM 608 CA GLN A 46 -2.900 2.285 -7.275 1.00 12.33 C ATOM 609 C GLN A 46 -1.551 1.919 -7.885 1.00 13.21 C ATOM 610 O GLN A 46 -1.370 1.986 -9.100 1.00 73.33 O ATOM 611 CB GLN A 46 -2.737 3.469 -6.320 1.00 50.42 C ATOM 612 CG GLN A 46 -4.054 3.992 -5.769 1.00 4.14 C ATOM 613 CD GLN A 46 -3.873 4.809 -4.504 1.00 75.41 C ATOM 614 OE1 GLN A 46 -2.868 4.679 -3.805 1.00 60.43 O ATOM 615 NE2 GLN A 46 -4.850 5.657 -4.203 1.00 4.12 N ATOM 0 H GLN A 46 -3.713 1.325 -5.597 1.00 3.23 H new ATOM 0 HA GLN A 46 -3.577 2.568 -8.081 1.00 12.33 H new ATOM 0 HB2 GLN A 46 -2.098 3.170 -5.489 1.00 50.42 H new ATOM 0 HB3 GLN A 46 -2.224 4.277 -6.841 1.00 50.42 H new ATOM 0 HG2 GLN A 46 -4.543 4.605 -6.526 1.00 4.14 H new ATOM 0 HG3 GLN A 46 -4.717 3.152 -5.563 1.00 4.14 H new ATOM 0 HE21 GLN A 46 -5.665 5.732 -4.811 1.00 4.12 H new ATOM 0 HE22 GLN A 46 -4.785 6.233 -3.364 1.00 4.12 H new ATOM 624 N ALA A 47 -0.607 1.533 -7.033 1.00 13.01 N ATOM 625 CA ALA A 47 0.725 1.155 -7.488 1.00 73.25 C ATOM 626 C ALA A 47 0.653 0.051 -8.538 1.00 50.23 C ATOM 627 O ALA A 47 1.270 0.149 -9.598 1.00 62.04 O ATOM 628 CB ALA A 47 1.579 0.711 -6.310 1.00 61.45 C ATOM 0 H ALA A 47 -0.740 1.474 -6.023 1.00 13.01 H new ATOM 0 HA ALA A 47 1.187 2.029 -7.948 1.00 73.25 H new ATOM 0 HB1 ALA A 47 2.571 0.432 -6.665 1.00 61.45 H new ATOM 0 HB2 ALA A 47 1.666 1.529 -5.595 1.00 61.45 H new ATOM 0 HB3 ALA A 47 1.112 -0.146 -5.825 1.00 61.45 H new ATOM 634 N ALA A 48 -0.104 -0.999 -8.236 1.00 4.33 N ATOM 635 CA ALA A 48 -0.257 -2.120 -9.154 1.00 64.22 C ATOM 636 C ALA A 48 -0.652 -1.640 -10.546 1.00 51.43 C ATOM 637 O ALA A 48 0.034 -1.920 -11.530 1.00 21.45 O ATOM 638 CB ALA A 48 -1.288 -3.103 -8.620 1.00 52.21 C ATOM 0 H ALA A 48 -0.621 -1.096 -7.362 1.00 4.33 H new ATOM 0 HA ALA A 48 0.705 -2.627 -9.233 1.00 64.22 H new ATOM 0 HB1 ALA A 48 -1.392 -3.935 -9.316 1.00 52.21 H new ATOM 0 HB2 ALA A 48 -0.963 -3.480 -7.650 1.00 52.21 H new ATOM 0 HB3 ALA A 48 -2.248 -2.599 -8.511 1.00 52.21 H new ATOM 644 N CYS A 49 -1.763 -0.914 -10.623 1.00 61.45 N ATOM 645 CA CYS A 49 -2.251 -0.395 -11.895 1.00 71.33 C ATOM 646 C CYS A 49 -1.249 0.580 -12.506 1.00 4.04 C ATOM 647 O CYS A 49 -0.743 0.359 -13.605 1.00 40.31 O ATOM 648 CB CYS A 49 -3.601 0.298 -11.703 1.00 33.14 C ATOM 649 SG CYS A 49 -4.335 0.939 -13.242 1.00 65.32 S ATOM 0 H CYS A 49 -2.342 -0.672 -9.819 1.00 61.45 H new ATOM 0 HA CYS A 49 -2.375 -1.236 -12.577 1.00 71.33 H new ATOM 0 HB2 CYS A 49 -4.297 -0.406 -11.247 1.00 33.14 H new ATOM 0 HB3 CYS A 49 -3.477 1.123 -11.001 1.00 33.14 H new ATOM 654 N ASN A 50 -0.966 1.659 -11.783 1.00 15.31 N ATOM 655 CA ASN A 50 -0.025 2.669 -12.253 1.00 22.02 C ATOM 656 C ASN A 50 1.249 2.019 -12.784 1.00 42.32 C ATOM 657 O ASN A 50 1.843 2.493 -13.754 1.00 31.44 O ATOM 658 CB ASN A 50 0.318 3.641 -11.123 1.00 3.54 C ATOM 659 CG ASN A 50 -0.911 4.325 -10.555 1.00 44.42 C ATOM 660 OD1 ASN A 50 -0.865 4.653 -9.269 1.00 73.23 O flip ATOM 661 ND2 ASN A 50 -1.889 4.557 -11.265 1.00 64.51 N flip ATOM 0 H ASN A 50 -1.375 1.856 -10.870 1.00 15.31 H new ATOM 0 HA ASN A 50 -0.497 3.220 -13.066 1.00 22.02 H new ATOM 0 HB2 ASN A 50 0.831 3.102 -10.327 1.00 3.54 H new ATOM 0 HB3 ASN A 50 1.011 4.396 -11.495 1.00 3.54 H new ATOM 0 HD21 ASN A 50 -1.881 4.287 -12.249 1.00 64.51 H new ATOM 0 HD22 ASN A 50 -2.708 5.019 -10.870 1.00 64.51 H new ATOM 668 N CYS A 51 1.664 0.932 -12.143 1.00 71.31 N ATOM 669 CA CYS A 51 2.867 0.216 -12.550 1.00 31.31 C ATOM 670 C CYS A 51 2.716 -0.342 -13.962 1.00 64.41 C ATOM 671 O CYS A 51 3.620 -0.219 -14.790 1.00 22.20 O ATOM 672 CB CYS A 51 3.165 -0.921 -11.570 1.00 3.42 C ATOM 673 SG CYS A 51 4.246 -0.442 -10.184 1.00 22.24 S ATOM 0 H CYS A 51 1.185 0.527 -11.339 1.00 71.31 H new ATOM 0 HA CYS A 51 3.699 0.920 -12.543 1.00 31.31 H new ATOM 0 HB2 CYS A 51 2.224 -1.298 -11.170 1.00 3.42 H new ATOM 0 HB3 CYS A 51 3.631 -1.742 -12.114 1.00 3.42 H new ATOM 678 N LEU A 52 1.569 -0.956 -14.230 1.00 42.15 N ATOM 679 CA LEU A 52 1.299 -1.533 -15.543 1.00 31.23 C ATOM 680 C LEU A 52 0.994 -0.443 -16.565 1.00 12.11 C ATOM 681 O LEU A 52 1.350 -0.559 -17.738 1.00 14.02 O ATOM 682 CB LEU A 52 0.127 -2.512 -15.459 1.00 73.43 C ATOM 683 CG LEU A 52 0.303 -3.690 -14.500 1.00 13.01 C ATOM 684 CD1 LEU A 52 -0.861 -4.660 -14.627 1.00 33.43 C ATOM 685 CD2 LEU A 52 1.623 -4.400 -14.764 1.00 14.15 C ATOM 0 H LEU A 52 0.811 -1.067 -13.556 1.00 42.15 H new ATOM 0 HA LEU A 52 2.191 -2.069 -15.868 1.00 31.23 H new ATOM 0 HB2 LEU A 52 -0.763 -1.957 -15.162 1.00 73.43 H new ATOM 0 HB3 LEU A 52 -0.062 -2.907 -16.457 1.00 73.43 H new ATOM 0 HG LEU A 52 0.318 -3.305 -13.480 1.00 13.01 H new ATOM 0 HD11 LEU A 52 -0.718 -5.492 -13.937 1.00 33.43 H new ATOM 0 HD12 LEU A 52 -1.791 -4.145 -14.387 1.00 33.43 H new ATOM 0 HD13 LEU A 52 -0.909 -5.039 -15.648 1.00 33.43 H new ATOM 0 HD21 LEU A 52 1.731 -5.235 -14.072 1.00 14.15 H new ATOM 0 HD22 LEU A 52 1.637 -4.773 -15.788 1.00 14.15 H new ATOM 0 HD23 LEU A 52 2.447 -3.701 -14.621 1.00 14.15 H new ATOM 697 N LYS A 53 0.334 0.618 -16.112 1.00 23.23 N ATOM 698 CA LYS A 53 -0.016 1.732 -16.985 1.00 32.13 C ATOM 699 C LYS A 53 1.233 2.361 -17.593 1.00 24.15 C ATOM 700 O LYS A 53 1.230 2.774 -18.752 1.00 4.51 O ATOM 701 CB LYS A 53 -0.805 2.788 -16.207 1.00 23.23 C ATOM 702 CG LYS A 53 -2.025 2.232 -15.493 1.00 53.34 C ATOM 703 CD LYS A 53 -3.253 3.093 -15.737 1.00 54.31 C ATOM 704 CE LYS A 53 -4.166 2.478 -16.786 1.00 73.24 C ATOM 705 NZ LYS A 53 -5.415 1.933 -16.185 1.00 23.34 N ATOM 0 H LYS A 53 0.031 0.730 -15.145 1.00 23.23 H new ATOM 0 HA LYS A 53 -0.637 1.346 -17.794 1.00 32.13 H new ATOM 0 HB2 LYS A 53 -0.147 3.254 -15.474 1.00 23.23 H new ATOM 0 HB3 LYS A 53 -1.123 3.572 -16.895 1.00 23.23 H new ATOM 0 HG2 LYS A 53 -2.218 1.216 -15.837 1.00 53.34 H new ATOM 0 HG3 LYS A 53 -1.827 2.174 -14.423 1.00 53.34 H new ATOM 0 HD2 LYS A 53 -3.802 3.218 -14.804 1.00 54.31 H new ATOM 0 HD3 LYS A 53 -2.943 4.087 -16.060 1.00 54.31 H new ATOM 0 HE2 LYS A 53 -4.421 3.231 -17.532 1.00 73.24 H new ATOM 0 HE3 LYS A 53 -3.636 1.681 -17.306 1.00 73.24 H new ATOM 0 HZ1 LYS A 53 -5.684 1.058 -16.678 1.00 23.34 H new ATOM 0 HZ2 LYS A 53 -5.255 1.728 -15.178 1.00 23.34 H new ATOM 0 HZ3 LYS A 53 -6.179 2.632 -16.279 1.00 23.34 H new ATOM 719 N SER A 54 2.300 2.428 -16.803 1.00 4.42 N ATOM 720 CA SER A 54 3.556 3.009 -17.263 1.00 4.11 C ATOM 721 C SER A 54 4.270 2.066 -18.227 1.00 0.12 C ATOM 722 O SER A 54 4.709 2.475 -19.301 1.00 64.11 O ATOM 723 CB SER A 54 4.464 3.322 -16.072 1.00 44.30 C ATOM 724 OG SER A 54 4.049 4.505 -15.411 1.00 41.13 O ATOM 0 H SER A 54 2.320 2.087 -15.842 1.00 4.42 H new ATOM 0 HA SER A 54 3.328 3.935 -17.790 1.00 4.11 H new ATOM 0 HB2 SER A 54 4.451 2.487 -15.372 1.00 44.30 H new ATOM 0 HB3 SER A 54 5.493 3.435 -16.415 1.00 44.30 H new ATOM 0 HG SER A 54 4.644 4.682 -14.653 1.00 41.13 H new ATOM 730 N ALA A 55 4.381 0.801 -17.834 1.00 2.42 N ATOM 731 CA ALA A 55 5.039 -0.201 -18.663 1.00 21.14 C ATOM 732 C ALA A 55 4.241 -0.473 -19.933 1.00 51.32 C ATOM 733 O ALA A 55 4.741 -1.094 -20.870 1.00 73.34 O ATOM 734 CB ALA A 55 5.237 -1.488 -17.876 1.00 64.42 C ATOM 0 H ALA A 55 4.024 0.446 -16.947 1.00 2.42 H new ATOM 0 HA ALA A 55 6.014 0.188 -18.955 1.00 21.14 H new ATOM 0 HB1 ALA A 55 5.729 -2.228 -18.507 1.00 64.42 H new ATOM 0 HB2 ALA A 55 5.855 -1.288 -17.001 1.00 64.42 H new ATOM 0 HB3 ALA A 55 4.268 -1.871 -17.556 1.00 64.42 H new ATOM 740 N ALA A 56 2.998 -0.003 -19.957 1.00 72.52 N ATOM 741 CA ALA A 56 2.131 -0.195 -21.113 1.00 42.14 C ATOM 742 C ALA A 56 2.295 0.942 -22.116 1.00 72.04 C ATOM 743 O ALA A 56 2.019 0.779 -23.304 1.00 52.52 O ATOM 744 CB ALA A 56 0.679 -0.307 -20.672 1.00 64.11 C ATOM 0 H ALA A 56 2.569 0.513 -19.189 1.00 72.52 H new ATOM 0 HA ALA A 56 2.422 -1.124 -21.604 1.00 42.14 H new ATOM 0 HB1 ALA A 56 0.043 -0.450 -21.546 1.00 64.11 H new ATOM 0 HB2 ALA A 56 0.568 -1.157 -19.999 1.00 64.11 H new ATOM 0 HB3 ALA A 56 0.384 0.606 -20.155 1.00 64.11 H new ATOM 750 N GLY A 57 2.745 2.094 -21.630 1.00 3.54 N ATOM 751 CA GLY A 57 2.937 3.242 -22.497 1.00 71.12 C ATOM 752 C GLY A 57 4.120 3.072 -23.430 1.00 54.40 C ATOM 753 O GLY A 57 4.179 3.698 -24.488 1.00 51.33 O ATOM 0 H GLY A 57 2.980 2.253 -20.650 1.00 3.54 H new ATOM 0 HA2 GLY A 57 2.034 3.404 -23.086 1.00 71.12 H new ATOM 0 HA3 GLY A 57 3.084 4.133 -21.887 1.00 71.12 H new ATOM 757 N SER A 58 5.065 2.225 -23.037 1.00 31.33 N ATOM 758 CA SER A 58 6.255 1.979 -23.843 1.00 32.11 C ATOM 759 C SER A 58 6.019 0.834 -24.824 1.00 4.41 C ATOM 760 O SER A 58 6.938 0.400 -25.519 1.00 61.23 O ATOM 761 CB SER A 58 7.449 1.656 -22.943 1.00 10.54 C ATOM 762 OG SER A 58 8.081 2.841 -22.490 1.00 11.32 O ATOM 0 H SER A 58 5.030 1.697 -22.165 1.00 31.33 H new ATOM 0 HA SER A 58 6.472 2.883 -24.411 1.00 32.11 H new ATOM 0 HB2 SER A 58 7.115 1.068 -22.088 1.00 10.54 H new ATOM 0 HB3 SER A 58 8.166 1.044 -23.490 1.00 10.54 H new ATOM 0 HG SER A 58 8.840 2.608 -21.915 1.00 11.32 H new ATOM 768 N ILE A 59 4.783 0.351 -24.874 1.00 13.23 N ATOM 769 CA ILE A 59 4.426 -0.742 -25.770 1.00 14.34 C ATOM 770 C ILE A 59 3.612 -0.236 -26.956 1.00 35.41 C ATOM 771 O ILE A 59 2.648 0.513 -26.789 1.00 24.20 O ATOM 772 CB ILE A 59 3.621 -1.831 -25.036 1.00 0.00 C ATOM 773 CG1 ILE A 59 4.196 -2.066 -23.638 1.00 11.44 C ATOM 774 CG2 ILE A 59 3.624 -3.123 -25.839 1.00 52.14 C ATOM 775 CD1 ILE A 59 3.465 -3.134 -22.855 1.00 71.12 C ATOM 0 H ILE A 59 4.012 0.699 -24.305 1.00 13.23 H new ATOM 0 HA ILE A 59 5.360 -1.173 -26.131 1.00 14.34 H new ATOM 0 HB ILE A 59 2.590 -1.492 -24.932 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.245 -2.347 -23.728 1.00 11.44 H new ATOM 0 HG13 ILE A 59 4.164 -1.131 -23.079 1.00 11.44 H new ATOM 0 HG21 ILE A 59 3.051 -3.883 -25.308 1.00 52.14 H new ATOM 0 HG22 ILE A 59 3.173 -2.946 -26.815 1.00 52.14 H new ATOM 0 HG23 ILE A 59 4.650 -3.467 -25.970 1.00 52.14 H new ATOM 0 HD11 ILE A 59 3.927 -3.247 -21.874 1.00 71.12 H new ATOM 0 HD12 ILE A 59 2.421 -2.845 -22.733 1.00 71.12 H new ATOM 0 HD13 ILE A 59 3.519 -4.081 -23.393 1.00 71.12 H new ATOM 787 N THR A 60 4.004 -0.653 -28.156 1.00 54.31 N ATOM 788 CA THR A 60 3.311 -0.243 -29.371 1.00 74.51 C ATOM 789 C THR A 60 2.351 -1.328 -29.849 1.00 4.33 C ATOM 790 O THR A 60 1.332 -1.038 -30.475 1.00 13.43 O ATOM 791 CB THR A 60 4.304 0.082 -30.502 1.00 63.43 C ATOM 792 OG1 THR A 60 3.648 0.831 -31.531 1.00 33.12 O ATOM 793 CG2 THR A 60 4.889 -1.193 -31.091 1.00 65.14 C ATOM 0 H THR A 60 4.798 -1.274 -28.312 1.00 54.31 H new ATOM 0 HA THR A 60 2.746 0.656 -29.124 1.00 74.51 H new ATOM 0 HB THR A 60 5.116 0.676 -30.083 1.00 63.43 H new ATOM 0 HG1 THR A 60 4.287 1.035 -32.245 1.00 33.12 H new ATOM 0 HG21 THR A 60 5.588 -0.938 -31.888 1.00 65.14 H new ATOM 0 HG22 THR A 60 5.413 -1.746 -30.312 1.00 65.14 H new ATOM 0 HG23 THR A 60 4.086 -1.809 -31.496 1.00 65.14 H new ATOM 801 N LYS A 61 2.684 -2.579 -29.549 1.00 53.22 N ATOM 802 CA LYS A 61 1.851 -3.708 -29.946 1.00 31.00 C ATOM 803 C LYS A 61 0.858 -4.065 -28.844 1.00 61.55 C ATOM 804 O LYS A 61 0.268 -5.147 -28.853 1.00 41.33 O ATOM 805 CB LYS A 61 2.724 -4.922 -30.274 1.00 12.51 C ATOM 806 CG LYS A 61 3.363 -4.857 -31.650 1.00 43.31 C ATOM 807 CD LYS A 61 2.436 -5.403 -32.722 1.00 73.33 C ATOM 808 CE LYS A 61 3.079 -5.345 -34.099 1.00 45.41 C ATOM 809 NZ LYS A 61 4.047 -6.457 -34.307 1.00 21.42 N ATOM 0 H LYS A 61 3.525 -2.836 -29.032 1.00 53.22 H new ATOM 0 HA LYS A 61 1.291 -3.420 -30.836 1.00 31.00 H new ATOM 0 HB2 LYS A 61 3.508 -5.009 -29.522 1.00 12.51 H new ATOM 0 HB3 LYS A 61 2.117 -5.825 -30.207 1.00 12.51 H new ATOM 0 HG2 LYS A 61 3.622 -3.824 -31.883 1.00 43.31 H new ATOM 0 HG3 LYS A 61 4.293 -5.426 -31.648 1.00 43.31 H new ATOM 0 HD2 LYS A 61 2.173 -6.434 -32.486 1.00 73.33 H new ATOM 0 HD3 LYS A 61 1.509 -4.830 -32.728 1.00 73.33 H new ATOM 0 HE2 LYS A 61 2.304 -5.391 -34.864 1.00 45.41 H new ATOM 0 HE3 LYS A 61 3.591 -4.390 -34.221 1.00 45.41 H new ATOM 0 HZ1 LYS A 61 4.463 -6.382 -35.257 1.00 21.42 H new ATOM 0 HZ2 LYS A 61 4.801 -6.399 -33.593 1.00 21.42 H new ATOM 0 HZ3 LYS A 61 3.554 -7.368 -34.216 1.00 21.42 H new ATOM 823 N LEU A 62 0.677 -3.151 -27.898 1.00 61.01 N ATOM 824 CA LEU A 62 -0.246 -3.369 -26.790 1.00 32.21 C ATOM 825 C LEU A 62 -1.685 -3.456 -27.289 1.00 20.01 C ATOM 826 O LEU A 62 -2.166 -2.563 -27.985 1.00 1.45 O ATOM 827 CB LEU A 62 -0.117 -2.242 -25.764 1.00 34.45 C ATOM 828 CG LEU A 62 -1.135 -2.254 -24.622 1.00 72.35 C ATOM 829 CD1 LEU A 62 -0.765 -3.306 -23.588 1.00 11.20 C ATOM 830 CD2 LEU A 62 -1.230 -0.879 -23.978 1.00 23.13 C ATOM 0 H LEU A 62 1.157 -2.251 -27.876 1.00 61.01 H new ATOM 0 HA LEU A 62 0.012 -4.316 -26.315 1.00 32.21 H new ATOM 0 HB2 LEU A 62 0.883 -2.283 -25.333 1.00 34.45 H new ATOM 0 HB3 LEU A 62 -0.200 -1.290 -26.288 1.00 34.45 H new ATOM 0 HG LEU A 62 -2.112 -2.508 -25.034 1.00 72.35 H new ATOM 0 HD11 LEU A 62 -1.500 -3.300 -22.783 1.00 11.20 H new ATOM 0 HD12 LEU A 62 -0.750 -4.289 -24.058 1.00 11.20 H new ATOM 0 HD13 LEU A 62 0.221 -3.084 -23.180 1.00 11.20 H new ATOM 0 HD21 LEU A 62 -1.959 -0.906 -23.168 1.00 23.13 H new ATOM 0 HD22 LEU A 62 -0.256 -0.595 -23.580 1.00 23.13 H new ATOM 0 HD23 LEU A 62 -1.544 -0.149 -24.724 1.00 23.13 H new ATOM 842 N ASN A 63 -2.367 -4.538 -26.927 1.00 13.54 N ATOM 843 CA ASN A 63 -3.752 -4.740 -27.336 1.00 73.32 C ATOM 844 C ASN A 63 -4.706 -4.494 -26.171 1.00 22.31 C ATOM 845 O ASN A 63 -5.016 -5.407 -25.404 1.00 53.23 O ATOM 846 CB ASN A 63 -3.944 -6.159 -27.876 1.00 21.11 C ATOM 847 CG ASN A 63 -3.278 -6.360 -29.223 1.00 64.03 C ATOM 848 OD1 ASN A 63 -2.067 -6.187 -29.361 1.00 44.24 O ATOM 849 ND2 ASN A 63 -4.068 -6.727 -30.225 1.00 72.21 N ATOM 0 H ASN A 63 -1.983 -5.288 -26.352 1.00 13.54 H new ATOM 0 HA ASN A 63 -3.979 -4.023 -28.125 1.00 73.32 H new ATOM 0 HB2 ASN A 63 -3.537 -6.875 -27.162 1.00 21.11 H new ATOM 0 HB3 ASN A 63 -5.010 -6.370 -27.966 1.00 21.11 H new ATOM 0 HD21 ASN A 63 -3.676 -6.877 -31.155 1.00 72.21 H new ATOM 0 HD22 ASN A 63 -5.067 -6.859 -30.065 1.00 72.21 H new ATOM 856 N THR A 64 -5.168 -3.255 -26.043 1.00 55.53 N ATOM 857 CA THR A 64 -6.086 -2.888 -24.972 1.00 40.40 C ATOM 858 C THR A 64 -7.300 -3.808 -24.949 1.00 35.52 C ATOM 859 O THR A 64 -7.939 -3.983 -23.912 1.00 1.02 O ATOM 860 CB THR A 64 -6.564 -1.430 -25.116 1.00 64.20 C ATOM 861 OG1 THR A 64 -7.401 -1.301 -26.271 1.00 3.14 O ATOM 862 CG2 THR A 64 -5.380 -0.482 -25.233 1.00 1.22 C ATOM 0 H THR A 64 -4.921 -2.488 -26.668 1.00 55.53 H new ATOM 0 HA THR A 64 -5.537 -2.992 -24.036 1.00 40.40 H new ATOM 0 HB THR A 64 -7.133 -1.167 -24.224 1.00 64.20 H new ATOM 0 HG1 THR A 64 -7.702 -0.372 -26.355 1.00 3.14 H new ATOM 0 HG21 THR A 64 -5.742 0.541 -25.334 1.00 1.22 H new ATOM 0 HG22 THR A 64 -4.760 -0.562 -24.340 1.00 1.22 H new ATOM 0 HG23 THR A 64 -4.788 -0.745 -26.110 1.00 1.22 H new ATOM 870 N ASN A 65 -7.614 -4.396 -26.099 1.00 22.21 N ATOM 871 CA ASN A 65 -8.753 -5.300 -26.210 1.00 22.31 C ATOM 872 C ASN A 65 -8.542 -6.548 -25.357 1.00 13.40 C ATOM 873 O ASN A 65 -9.443 -6.980 -24.639 1.00 3.12 O ATOM 874 CB ASN A 65 -8.974 -5.699 -27.670 1.00 42.25 C ATOM 875 CG ASN A 65 -9.918 -4.755 -28.391 1.00 24.32 C ATOM 876 OD1 ASN A 65 -10.754 -4.101 -27.768 1.00 3.41 O ATOM 877 ND2 ASN A 65 -9.788 -4.682 -29.710 1.00 45.13 N ATOM 0 H ASN A 65 -7.096 -4.263 -26.967 1.00 22.21 H new ATOM 0 HA ASN A 65 -9.637 -4.777 -25.845 1.00 22.31 H new ATOM 0 HB2 ASN A 65 -8.015 -5.716 -28.188 1.00 42.25 H new ATOM 0 HB3 ASN A 65 -9.376 -6.711 -27.710 1.00 42.25 H new ATOM 0 HD21 ASN A 65 -10.396 -4.065 -30.249 1.00 45.13 H new ATOM 0 HD22 ASN A 65 -9.081 -5.243 -30.185 1.00 45.13 H new ATOM 884 N ASN A 66 -7.346 -7.121 -25.442 1.00 12.23 N ATOM 885 CA ASN A 66 -7.017 -8.319 -24.678 1.00 2.43 C ATOM 886 C ASN A 66 -6.761 -7.977 -23.213 1.00 52.50 C ATOM 887 O ASN A 66 -6.868 -8.834 -22.337 1.00 31.10 O ATOM 888 CB ASN A 66 -5.788 -9.007 -25.274 1.00 64.32 C ATOM 889 CG ASN A 66 -6.030 -9.501 -26.687 1.00 74.23 C ATOM 890 OD1 ASN A 66 -5.129 -9.154 -27.598 1.00 51.43 O flip ATOM 891 ND2 ASN A 66 -7.017 -10.187 -26.956 1.00 65.53 N flip ATOM 0 H ASN A 66 -6.589 -6.775 -26.032 1.00 12.23 H new ATOM 0 HA ASN A 66 -7.868 -8.998 -24.731 1.00 2.43 H new ATOM 0 HB2 ASN A 66 -4.950 -8.311 -25.274 1.00 64.32 H new ATOM 0 HB3 ASN A 66 -5.504 -9.848 -24.642 1.00 64.32 H new ATOM 0 HD21 ASN A 66 -7.684 -10.430 -26.224 1.00 65.53 H new ATOM 0 HD22 ASN A 66 -7.167 -10.512 -27.911 1.00 65.53 H new ATOM 898 N ALA A 67 -6.424 -6.717 -22.955 1.00 64.25 N ATOM 899 CA ALA A 67 -6.155 -6.261 -21.597 1.00 54.34 C ATOM 900 C ALA A 67 -7.447 -6.128 -20.798 1.00 31.13 C ATOM 901 O ALA A 67 -7.480 -6.414 -19.601 1.00 65.13 O ATOM 902 CB ALA A 67 -5.410 -4.934 -21.624 1.00 33.41 C ATOM 0 H ALA A 67 -6.331 -5.994 -23.669 1.00 64.25 H new ATOM 0 HA ALA A 67 -5.529 -7.006 -21.106 1.00 54.34 H new ATOM 0 HB1 ALA A 67 -5.216 -4.605 -20.603 1.00 33.41 H new ATOM 0 HB2 ALA A 67 -4.464 -5.058 -22.152 1.00 33.41 H new ATOM 0 HB3 ALA A 67 -6.016 -4.187 -22.137 1.00 33.41 H new ATOM 908 N ALA A 68 -8.509 -5.692 -21.466 1.00 55.15 N ATOM 909 CA ALA A 68 -9.804 -5.523 -20.818 1.00 2.31 C ATOM 910 C ALA A 68 -10.481 -6.869 -20.584 1.00 40.14 C ATOM 911 O ALA A 68 -11.078 -7.100 -19.533 1.00 40.04 O ATOM 912 CB ALA A 68 -10.698 -4.618 -21.652 1.00 50.34 C ATOM 0 H ALA A 68 -8.498 -5.449 -22.457 1.00 55.15 H new ATOM 0 HA ALA A 68 -9.638 -5.056 -19.847 1.00 2.31 H new ATOM 0 HB1 ALA A 68 -11.661 -4.501 -21.156 1.00 50.34 H new ATOM 0 HB2 ALA A 68 -10.226 -3.642 -21.763 1.00 50.34 H new ATOM 0 HB3 ALA A 68 -10.848 -5.062 -22.636 1.00 50.34 H new ATOM 918 N ALA A 69 -10.384 -7.754 -21.571 1.00 55.33 N ATOM 919 CA ALA A 69 -10.987 -9.077 -21.472 1.00 63.42 C ATOM 920 C ALA A 69 -10.049 -10.056 -20.774 1.00 21.31 C ATOM 921 O ALA A 69 -10.423 -11.195 -20.490 1.00 21.03 O ATOM 922 CB ALA A 69 -11.357 -9.594 -22.855 1.00 13.53 C ATOM 0 H ALA A 69 -9.894 -7.578 -22.448 1.00 55.33 H new ATOM 0 HA ALA A 69 -11.894 -8.992 -20.873 1.00 63.42 H new ATOM 0 HB1 ALA A 69 -11.806 -10.583 -22.766 1.00 13.53 H new ATOM 0 HB2 ALA A 69 -12.070 -8.912 -23.320 1.00 13.53 H new ATOM 0 HB3 ALA A 69 -10.460 -9.657 -23.472 1.00 13.53 H new ATOM 928 N LEU A 70 -8.829 -9.607 -20.500 1.00 51.14 N ATOM 929 CA LEU A 70 -7.837 -10.444 -19.835 1.00 45.14 C ATOM 930 C LEU A 70 -8.373 -10.976 -18.510 1.00 44.31 C ATOM 931 O LEU A 70 -8.465 -12.183 -18.290 1.00 33.45 O ATOM 932 CB LEU A 70 -6.550 -9.652 -19.597 1.00 42.21 C ATOM 933 CG LEU A 70 -5.717 -10.073 -18.386 1.00 64.43 C ATOM 934 CD1 LEU A 70 -5.260 -11.517 -18.529 1.00 35.13 C ATOM 935 CD2 LEU A 70 -4.520 -9.149 -18.214 1.00 53.31 C ATOM 0 H LEU A 70 -8.503 -8.668 -20.728 1.00 51.14 H new ATOM 0 HA LEU A 70 -7.620 -11.292 -20.484 1.00 45.14 H new ATOM 0 HB2 LEU A 70 -5.927 -9.734 -20.488 1.00 42.21 H new ATOM 0 HB3 LEU A 70 -6.810 -8.599 -19.486 1.00 42.21 H new ATOM 0 HG LEU A 70 -6.341 -9.996 -17.496 1.00 64.43 H new ATOM 0 HD11 LEU A 70 -4.668 -11.799 -17.658 1.00 35.13 H new ATOM 0 HD12 LEU A 70 -6.131 -12.169 -18.603 1.00 35.13 H new ATOM 0 HD13 LEU A 70 -4.653 -11.619 -19.429 1.00 35.13 H new ATOM 0 HD21 LEU A 70 -3.939 -9.464 -17.347 1.00 53.31 H new ATOM 0 HD22 LEU A 70 -3.895 -9.194 -19.106 1.00 53.31 H new ATOM 0 HD23 LEU A 70 -4.868 -8.127 -18.066 1.00 53.31 H new ATOM 947 N PRO A 71 -8.737 -10.054 -17.606 1.00 44.01 N ATOM 948 CA PRO A 71 -9.273 -10.406 -16.288 1.00 65.40 C ATOM 949 C PRO A 71 -10.668 -11.016 -16.374 1.00 2.55 C ATOM 950 O PRO A 71 -11.066 -11.802 -15.515 1.00 52.32 O ATOM 951 CB PRO A 71 -9.319 -9.064 -15.554 1.00 32.13 C ATOM 952 CG PRO A 71 -9.424 -8.044 -16.635 1.00 33.44 C ATOM 953 CD PRO A 71 -8.653 -8.597 -17.801 1.00 54.25 C ATOM 0 HA PRO A 71 -8.664 -11.159 -15.788 1.00 65.40 H new ATOM 0 HB2 PRO A 71 -10.172 -9.012 -14.877 1.00 32.13 H new ATOM 0 HB3 PRO A 71 -8.424 -8.911 -14.951 1.00 32.13 H new ATOM 0 HG2 PRO A 71 -10.465 -7.866 -16.904 1.00 33.44 H new ATOM 0 HG3 PRO A 71 -9.011 -7.089 -16.312 1.00 33.44 H new ATOM 0 HD2 PRO A 71 -9.090 -8.293 -18.752 1.00 54.25 H new ATOM 0 HD3 PRO A 71 -7.620 -8.250 -17.800 1.00 54.25 H new ATOM 961 N GLY A 72 -11.407 -10.647 -17.416 1.00 23.21 N ATOM 962 CA GLY A 72 -12.750 -11.168 -17.594 1.00 43.40 C ATOM 963 C GLY A 72 -12.756 -12.614 -18.048 1.00 4.14 C ATOM 964 O GLY A 72 -13.596 -13.404 -17.618 1.00 34.10 O ATOM 0 H GLY A 72 -11.100 -9.997 -18.140 1.00 23.21 H new ATOM 0 HA2 GLY A 72 -13.297 -11.083 -16.655 1.00 43.40 H new ATOM 0 HA3 GLY A 72 -13.279 -10.558 -18.327 1.00 43.40 H new ATOM 968 N LYS A 73 -11.816 -12.962 -18.920 1.00 72.43 N ATOM 969 CA LYS A 73 -11.715 -14.323 -19.434 1.00 35.31 C ATOM 970 C LYS A 73 -11.155 -15.265 -18.373 1.00 71.20 C ATOM 971 O LYS A 73 -11.321 -16.482 -18.459 1.00 34.35 O ATOM 972 CB LYS A 73 -10.828 -14.356 -20.680 1.00 4.40 C ATOM 973 CG LYS A 73 -11.446 -13.670 -21.886 1.00 13.44 C ATOM 974 CD LYS A 73 -12.269 -14.639 -22.718 1.00 23.22 C ATOM 975 CE LYS A 73 -13.003 -13.925 -23.842 1.00 12.10 C ATOM 976 NZ LYS A 73 -13.655 -14.884 -24.776 1.00 33.11 N ATOM 0 H LYS A 73 -11.113 -12.320 -19.286 1.00 72.43 H new ATOM 0 HA LYS A 73 -12.717 -14.659 -19.701 1.00 35.31 H new ATOM 0 HB2 LYS A 73 -9.875 -13.879 -20.450 1.00 4.40 H new ATOM 0 HB3 LYS A 73 -10.612 -15.394 -20.934 1.00 4.40 H new ATOM 0 HG2 LYS A 73 -12.078 -12.847 -21.553 1.00 13.44 H new ATOM 0 HG3 LYS A 73 -10.658 -13.237 -22.503 1.00 13.44 H new ATOM 0 HD2 LYS A 73 -11.617 -15.405 -23.137 1.00 23.22 H new ATOM 0 HD3 LYS A 73 -12.989 -15.149 -22.078 1.00 23.22 H new ATOM 0 HE2 LYS A 73 -13.757 -13.261 -23.419 1.00 12.10 H new ATOM 0 HE3 LYS A 73 -12.301 -13.300 -24.395 1.00 12.10 H new ATOM 0 HZ1 LYS A 73 -14.145 -14.358 -25.528 1.00 33.11 H new ATOM 0 HZ2 LYS A 73 -12.933 -15.502 -25.199 1.00 33.11 H new ATOM 0 HZ3 LYS A 73 -14.343 -15.463 -24.254 1.00 33.11 H new ATOM 990 N CYS A 74 -10.492 -14.695 -17.373 1.00 1.13 N ATOM 991 CA CYS A 74 -9.908 -15.483 -16.294 1.00 41.22 C ATOM 992 C CYS A 74 -10.944 -15.778 -15.214 1.00 31.24 C ATOM 993 O CYS A 74 -10.673 -16.510 -14.262 1.00 54.04 O ATOM 994 CB CYS A 74 -8.715 -14.745 -15.684 1.00 24.02 C ATOM 995 SG CYS A 74 -7.244 -14.692 -16.758 1.00 73.51 S ATOM 0 H CYS A 74 -10.345 -13.689 -17.287 1.00 1.13 H new ATOM 0 HA CYS A 74 -9.566 -16.429 -16.713 1.00 41.22 H new ATOM 0 HB2 CYS A 74 -9.015 -13.724 -15.447 1.00 24.02 H new ATOM 0 HB3 CYS A 74 -8.447 -15.225 -14.743 1.00 24.02 H new ATOM 1000 N GLY A 75 -12.133 -15.203 -15.368 1.00 61.02 N ATOM 1001 CA GLY A 75 -13.192 -15.416 -14.399 1.00 61.42 C ATOM 1002 C GLY A 75 -13.246 -14.324 -13.349 1.00 62.43 C ATOM 1003 O GLY A 75 -13.959 -14.446 -12.353 1.00 4.51 O ATOM 0 H GLY A 75 -12.382 -14.593 -16.147 1.00 61.02 H new ATOM 0 HA2 GLY A 75 -14.150 -15.465 -14.917 1.00 61.42 H new ATOM 0 HA3 GLY A 75 -13.044 -16.379 -13.910 1.00 61.42 H new ATOM 1007 N VAL A 76 -12.489 -13.254 -13.571 1.00 62.41 N ATOM 1008 CA VAL A 76 -12.453 -12.136 -12.636 1.00 63.31 C ATOM 1009 C VAL A 76 -13.511 -11.096 -12.983 1.00 13.53 C ATOM 1010 O VAL A 76 -14.033 -11.073 -14.097 1.00 30.44 O ATOM 1011 CB VAL A 76 -11.069 -11.460 -12.623 1.00 22.32 C ATOM 1012 CG1 VAL A 76 -10.888 -10.639 -11.355 1.00 42.25 C ATOM 1013 CG2 VAL A 76 -9.967 -12.501 -12.756 1.00 2.54 C ATOM 0 H VAL A 76 -11.893 -13.138 -14.390 1.00 62.41 H new ATOM 0 HA VAL A 76 -12.659 -12.544 -11.646 1.00 63.31 H new ATOM 0 HB VAL A 76 -11.005 -10.785 -13.476 1.00 22.32 H new ATOM 0 HG11 VAL A 76 -9.905 -10.169 -11.363 1.00 42.25 H new ATOM 0 HG12 VAL A 76 -11.658 -9.869 -11.307 1.00 42.25 H new ATOM 0 HG13 VAL A 76 -10.972 -11.290 -10.485 1.00 42.25 H new ATOM 0 HG21 VAL A 76 -8.996 -12.006 -12.745 1.00 2.54 H new ATOM 0 HG22 VAL A 76 -10.026 -13.202 -11.924 1.00 2.54 H new ATOM 0 HG23 VAL A 76 -10.088 -13.041 -13.695 1.00 2.54 H new ATOM 1023 N ASN A 77 -13.823 -10.234 -12.020 1.00 55.33 N ATOM 1024 CA ASN A 77 -14.821 -9.189 -12.224 1.00 23.14 C ATOM 1025 C ASN A 77 -14.318 -7.848 -11.698 1.00 53.33 C ATOM 1026 O ASN A 77 -13.841 -7.752 -10.567 1.00 62.33 O ATOM 1027 CB ASN A 77 -16.131 -9.564 -11.528 1.00 0.50 C ATOM 1028 CG ASN A 77 -17.061 -10.350 -12.431 1.00 62.43 C ATOM 1029 OD1 ASN A 77 -16.727 -11.447 -12.880 1.00 73.20 O ATOM 1030 ND2 ASN A 77 -18.235 -9.792 -12.703 1.00 3.25 N ATOM 0 H ASN A 77 -13.400 -10.238 -11.092 1.00 55.33 H new ATOM 0 HA ASN A 77 -15.000 -9.095 -13.295 1.00 23.14 H new ATOM 0 HB2 ASN A 77 -15.911 -10.153 -10.637 1.00 0.50 H new ATOM 0 HB3 ASN A 77 -16.634 -8.657 -11.194 1.00 0.50 H new ATOM 0 HD21 ASN A 77 -18.902 -10.274 -13.306 1.00 3.25 H new ATOM 0 HD22 ASN A 77 -18.470 -8.881 -12.309 1.00 3.25 H new ATOM 1037 N ILE A 78 -14.430 -6.815 -12.527 1.00 0.24 N ATOM 1038 CA ILE A 78 -13.989 -5.479 -12.145 1.00 21.01 C ATOM 1039 C ILE A 78 -15.047 -4.434 -12.480 1.00 54.22 C ATOM 1040 O ILE A 78 -15.589 -4.395 -13.585 1.00 41.02 O ATOM 1041 CB ILE A 78 -12.670 -5.100 -12.844 1.00 70.44 C ATOM 1042 CG1 ILE A 78 -11.779 -6.334 -13.003 1.00 22.05 C ATOM 1043 CG2 ILE A 78 -11.947 -4.015 -12.060 1.00 73.24 C ATOM 1044 CD1 ILE A 78 -11.961 -7.046 -14.325 1.00 14.23 C ATOM 0 H ILE A 78 -14.822 -6.878 -13.467 1.00 0.24 H new ATOM 0 HA ILE A 78 -13.828 -5.497 -11.067 1.00 21.01 H new ATOM 0 HB ILE A 78 -12.900 -4.711 -13.836 1.00 70.44 H new ATOM 0 HG12 ILE A 78 -10.736 -6.034 -12.902 1.00 22.05 H new ATOM 0 HG13 ILE A 78 -11.990 -7.031 -12.192 1.00 22.05 H new ATOM 0 HG21 ILE A 78 -11.017 -3.758 -12.567 1.00 73.24 H new ATOM 0 HG22 ILE A 78 -12.580 -3.130 -11.994 1.00 73.24 H new ATOM 0 HG23 ILE A 78 -11.725 -4.378 -11.056 1.00 73.24 H new ATOM 0 HD11 ILE A 78 -11.298 -7.910 -14.367 1.00 14.23 H new ATOM 0 HD12 ILE A 78 -12.995 -7.377 -14.421 1.00 14.23 H new ATOM 0 HD13 ILE A 78 -11.721 -6.365 -15.141 1.00 14.23 H new ATOM 1056 N PRO A 79 -15.349 -3.564 -11.505 1.00 55.21 N ATOM 1057 CA PRO A 79 -16.344 -2.500 -11.674 1.00 3.23 C ATOM 1058 C PRO A 79 -15.872 -1.412 -12.632 1.00 41.04 C ATOM 1059 O PRO A 79 -16.633 -0.513 -12.990 1.00 14.25 O ATOM 1060 CB PRO A 79 -16.502 -1.935 -10.260 1.00 3.22 C ATOM 1061 CG PRO A 79 -15.213 -2.247 -9.581 1.00 42.20 C ATOM 1062 CD PRO A 79 -14.743 -3.551 -10.163 1.00 73.32 C ATOM 0 HA PRO A 79 -17.272 -2.875 -12.105 1.00 3.23 H new ATOM 0 HB2 PRO A 79 -16.688 -0.861 -10.281 1.00 3.22 H new ATOM 0 HB3 PRO A 79 -17.344 -2.394 -9.742 1.00 3.22 H new ATOM 0 HG2 PRO A 79 -14.481 -1.457 -9.751 1.00 42.20 H new ATOM 0 HG3 PRO A 79 -15.350 -2.328 -8.503 1.00 42.20 H new ATOM 0 HD2 PRO A 79 -13.655 -3.600 -10.213 1.00 73.32 H new ATOM 0 HD3 PRO A 79 -15.073 -4.400 -9.565 1.00 73.32 H new ATOM 1070 N TYR A 80 -14.613 -1.500 -13.046 1.00 23.11 N ATOM 1071 CA TYR A 80 -14.039 -0.522 -13.962 1.00 41.32 C ATOM 1072 C TYR A 80 -14.178 -0.984 -15.410 1.00 1.25 C ATOM 1073 O TYR A 80 -14.195 -2.182 -15.693 1.00 12.22 O ATOM 1074 CB TYR A 80 -12.565 -0.284 -13.630 1.00 62.13 C ATOM 1075 CG TYR A 80 -12.345 0.774 -12.573 1.00 31.34 C ATOM 1076 CD1 TYR A 80 -12.427 2.125 -12.886 1.00 71.12 C ATOM 1077 CD2 TYR A 80 -12.055 0.422 -11.260 1.00 45.42 C ATOM 1078 CE1 TYR A 80 -12.226 3.095 -11.923 1.00 55.13 C ATOM 1079 CE2 TYR A 80 -11.854 1.386 -10.291 1.00 21.34 C ATOM 1080 CZ TYR A 80 -11.941 2.720 -10.627 1.00 3.50 C ATOM 1081 OH TYR A 80 -11.740 3.683 -9.664 1.00 50.13 O ATOM 0 H TYR A 80 -13.970 -2.239 -12.762 1.00 23.11 H new ATOM 0 HA TYR A 80 -14.586 0.413 -13.844 1.00 41.32 H new ATOM 0 HB2 TYR A 80 -12.122 -1.221 -13.292 1.00 62.13 H new ATOM 0 HB3 TYR A 80 -12.039 0.008 -14.539 1.00 62.13 H new ATOM 0 HD1 TYR A 80 -12.652 2.422 -13.900 1.00 71.12 H new ATOM 0 HD2 TYR A 80 -11.986 -0.622 -10.993 1.00 45.42 H new ATOM 0 HE1 TYR A 80 -12.292 4.141 -12.184 1.00 55.13 H new ATOM 0 HE2 TYR A 80 -11.630 1.096 -9.275 1.00 21.34 H new ATOM 0 HH TYR A 80 -11.551 3.252 -8.805 1.00 50.13 H new ATOM 1091 N LYS A 81 -14.276 -0.024 -16.323 1.00 72.01 N ATOM 1092 CA LYS A 81 -14.412 -0.329 -17.742 1.00 63.15 C ATOM 1093 C LYS A 81 -13.044 -0.498 -18.396 1.00 2.12 C ATOM 1094 O LYS A 81 -12.927 -0.497 -19.622 1.00 2.54 O ATOM 1095 CB LYS A 81 -15.194 0.779 -18.451 1.00 2.30 C ATOM 1096 CG LYS A 81 -16.701 0.619 -18.353 1.00 21.53 C ATOM 1097 CD LYS A 81 -17.407 1.233 -19.550 1.00 4.43 C ATOM 1098 CE LYS A 81 -17.234 0.380 -20.797 1.00 52.21 C ATOM 1099 NZ LYS A 81 -18.281 0.670 -21.816 1.00 62.21 N ATOM 0 H LYS A 81 -14.264 0.972 -16.105 1.00 72.01 H new ATOM 0 HA LYS A 81 -14.958 -1.268 -17.835 1.00 63.15 H new ATOM 0 HB2 LYS A 81 -14.911 1.742 -18.025 1.00 2.30 H new ATOM 0 HB3 LYS A 81 -14.907 0.799 -19.502 1.00 2.30 H new ATOM 0 HG2 LYS A 81 -16.952 -0.440 -18.286 1.00 21.53 H new ATOM 0 HG3 LYS A 81 -17.059 1.090 -17.438 1.00 21.53 H new ATOM 0 HD2 LYS A 81 -18.468 1.346 -19.329 1.00 4.43 H new ATOM 0 HD3 LYS A 81 -17.012 2.232 -19.734 1.00 4.43 H new ATOM 0 HE2 LYS A 81 -16.249 0.560 -21.227 1.00 52.21 H new ATOM 0 HE3 LYS A 81 -17.275 -0.675 -20.524 1.00 52.21 H new ATOM 0 HZ1 LYS A 81 -18.129 0.069 -22.651 1.00 62.21 H new ATOM 0 HZ2 LYS A 81 -19.220 0.474 -21.414 1.00 62.21 H new ATOM 0 HZ3 LYS A 81 -18.226 1.670 -22.095 1.00 62.21 H new ATOM 1113 N ILE A 82 -12.013 -0.644 -17.570 1.00 60.32 N ATOM 1114 CA ILE A 82 -10.654 -0.817 -18.069 1.00 12.23 C ATOM 1115 C ILE A 82 -10.272 0.309 -19.023 1.00 42.15 C ATOM 1116 O ILE A 82 -10.508 0.222 -20.228 1.00 63.05 O ATOM 1117 CB ILE A 82 -10.487 -2.167 -18.791 1.00 42.43 C ATOM 1118 CG1 ILE A 82 -10.543 -3.319 -17.786 1.00 11.51 C ATOM 1119 CG2 ILE A 82 -9.177 -2.195 -19.564 1.00 43.44 C ATOM 1120 CD1 ILE A 82 -9.351 -3.367 -16.855 1.00 75.14 C ATOM 0 H ILE A 82 -12.093 -0.646 -16.553 1.00 60.32 H new ATOM 0 HA ILE A 82 -9.994 -0.795 -17.202 1.00 12.23 H new ATOM 0 HB ILE A 82 -11.307 -2.287 -19.499 1.00 42.43 H new ATOM 0 HG12 ILE A 82 -11.453 -3.230 -17.193 1.00 11.51 H new ATOM 0 HG13 ILE A 82 -10.608 -4.262 -18.329 1.00 11.51 H new ATOM 0 HG21 ILE A 82 -9.073 -3.155 -20.069 1.00 43.44 H new ATOM 0 HG22 ILE A 82 -9.174 -1.394 -20.303 1.00 43.44 H new ATOM 0 HG23 ILE A 82 -8.345 -2.056 -18.874 1.00 43.44 H new ATOM 0 HD11 ILE A 82 -9.458 -4.208 -16.170 1.00 75.14 H new ATOM 0 HD12 ILE A 82 -8.438 -3.488 -17.438 1.00 75.14 H new ATOM 0 HD13 ILE A 82 -9.297 -2.440 -16.285 1.00 75.14 H new ATOM 1132 N SER A 83 -9.678 1.365 -18.477 1.00 13.33 N ATOM 1133 CA SER A 83 -9.264 2.510 -19.279 1.00 52.14 C ATOM 1134 C SER A 83 -7.794 2.840 -19.038 1.00 15.14 C ATOM 1135 O SER A 83 -7.417 3.292 -17.956 1.00 45.01 O ATOM 1136 CB SER A 83 -10.132 3.728 -18.955 1.00 71.43 C ATOM 1137 OG SER A 83 -11.212 3.842 -19.866 1.00 65.43 O ATOM 0 H SER A 83 -9.473 1.451 -17.482 1.00 13.33 H new ATOM 0 HA SER A 83 -9.392 2.251 -20.330 1.00 52.14 H new ATOM 0 HB2 SER A 83 -10.517 3.644 -17.939 1.00 71.43 H new ATOM 0 HB3 SER A 83 -9.524 4.632 -18.992 1.00 71.43 H new ATOM 0 HG SER A 83 -11.752 4.627 -19.636 1.00 65.43 H new ATOM 1143 N THR A 84 -6.968 2.611 -20.053 1.00 61.34 N ATOM 1144 CA THR A 84 -5.540 2.882 -19.953 1.00 25.34 C ATOM 1145 C THR A 84 -5.274 4.371 -19.765 1.00 53.14 C ATOM 1146 O THR A 84 -4.165 4.776 -19.416 1.00 41.34 O ATOM 1147 CB THR A 84 -4.785 2.391 -21.202 1.00 70.55 C ATOM 1148 OG1 THR A 84 -5.319 3.016 -22.374 1.00 41.55 O ATOM 1149 CG2 THR A 84 -4.888 0.879 -21.337 1.00 63.24 C ATOM 0 H THR A 84 -7.264 2.238 -20.955 1.00 61.34 H new ATOM 0 HA THR A 84 -5.177 2.338 -19.081 1.00 25.34 H new ATOM 0 HB THR A 84 -3.734 2.660 -21.093 1.00 70.55 H new ATOM 0 HG1 THR A 84 -4.832 2.700 -23.164 1.00 41.55 H new ATOM 0 HG21 THR A 84 -4.347 0.555 -22.226 1.00 63.24 H new ATOM 0 HG22 THR A 84 -4.455 0.405 -20.456 1.00 63.24 H new ATOM 0 HG23 THR A 84 -5.936 0.592 -21.425 1.00 63.24 H new ATOM 1157 N THR A 85 -6.300 5.184 -19.999 1.00 1.20 N ATOM 1158 CA THR A 85 -6.177 6.629 -19.857 1.00 13.45 C ATOM 1159 C THR A 85 -6.637 7.087 -18.477 1.00 23.22 C ATOM 1160 O THR A 85 -6.403 8.229 -18.080 1.00 34.03 O ATOM 1161 CB THR A 85 -6.996 7.371 -20.930 1.00 12.22 C ATOM 1162 OG1 THR A 85 -6.906 8.785 -20.724 1.00 43.45 O ATOM 1163 CG2 THR A 85 -8.455 6.940 -20.891 1.00 44.35 C ATOM 0 H THR A 85 -7.225 4.866 -20.288 1.00 1.20 H new ATOM 0 HA THR A 85 -5.122 6.870 -19.984 1.00 13.45 H new ATOM 0 HB THR A 85 -6.585 7.120 -21.908 1.00 12.22 H new ATOM 0 HG1 THR A 85 -6.652 8.965 -19.795 1.00 43.45 H new ATOM 0 HG21 THR A 85 -9.014 7.477 -21.657 1.00 44.35 H new ATOM 0 HG22 THR A 85 -8.523 5.868 -21.077 1.00 44.35 H new ATOM 0 HG23 THR A 85 -8.875 7.166 -19.911 1.00 44.35 H new ATOM 1171 N THR A 86 -7.291 6.188 -17.748 1.00 12.01 N ATOM 1172 CA THR A 86 -7.784 6.500 -16.412 1.00 61.41 C ATOM 1173 C THR A 86 -6.646 6.526 -15.399 1.00 5.44 C ATOM 1174 O THR A 86 -5.705 5.738 -15.486 1.00 74.32 O ATOM 1175 CB THR A 86 -8.842 5.479 -15.952 1.00 12.54 C ATOM 1176 OG1 THR A 86 -10.011 5.581 -16.773 1.00 2.32 O ATOM 1177 CG2 THR A 86 -9.218 5.709 -14.496 1.00 2.45 C ATOM 0 H THR A 86 -7.492 5.238 -18.060 1.00 12.01 H new ATOM 0 HA THR A 86 -8.242 7.488 -16.466 1.00 61.41 H new ATOM 0 HB THR A 86 -8.417 4.480 -16.048 1.00 12.54 H new ATOM 0 HG1 THR A 86 -10.775 5.182 -16.306 1.00 2.32 H new ATOM 0 HG21 THR A 86 -9.966 4.976 -14.193 1.00 2.45 H new ATOM 0 HG22 THR A 86 -8.332 5.602 -13.870 1.00 2.45 H new ATOM 0 HG23 THR A 86 -9.626 6.713 -14.380 1.00 2.45 H new ATOM 1185 N ASN A 87 -6.737 7.439 -14.436 1.00 74.35 N ATOM 1186 CA ASN A 87 -5.714 7.568 -13.405 1.00 71.33 C ATOM 1187 C ASN A 87 -6.019 6.658 -12.219 1.00 72.23 C ATOM 1188 O ASN A 87 -6.873 6.968 -11.388 1.00 50.10 O ATOM 1189 CB ASN A 87 -5.614 9.020 -12.936 1.00 13.45 C ATOM 1190 CG ASN A 87 -4.453 9.242 -11.986 1.00 1.40 C ATOM 1191 OD1 ASN A 87 -3.343 8.764 -12.222 1.00 54.11 O ATOM 1192 ND2 ASN A 87 -4.704 9.971 -10.905 1.00 10.14 N ATOM 0 H ASN A 87 -7.509 8.100 -14.349 1.00 74.35 H new ATOM 0 HA ASN A 87 -4.759 7.266 -13.835 1.00 71.33 H new ATOM 0 HB2 ASN A 87 -5.501 9.672 -13.802 1.00 13.45 H new ATOM 0 HB3 ASN A 87 -6.543 9.304 -12.442 1.00 13.45 H new ATOM 0 HD21 ASN A 87 -3.962 10.155 -10.230 1.00 10.14 H new ATOM 0 HD22 ASN A 87 -5.639 10.347 -10.750 1.00 10.14 H new ATOM 1199 N CYS A 88 -5.315 5.533 -12.147 1.00 52.10 N ATOM 1200 CA CYS A 88 -5.509 4.577 -11.064 1.00 13.14 C ATOM 1201 C CYS A 88 -4.961 5.125 -9.750 1.00 5.55 C ATOM 1202 O CYS A 88 -5.139 4.524 -8.692 1.00 23.45 O ATOM 1203 CB CYS A 88 -4.828 3.249 -11.399 1.00 43.10 C ATOM 1204 SG CYS A 88 -5.697 2.265 -12.662 1.00 41.53 S ATOM 0 H CYS A 88 -4.605 5.261 -12.827 1.00 52.10 H new ATOM 0 HA CYS A 88 -6.580 4.409 -10.949 1.00 13.14 H new ATOM 0 HB2 CYS A 88 -3.814 3.450 -11.745 1.00 43.10 H new ATOM 0 HB3 CYS A 88 -4.743 2.657 -10.488 1.00 43.10 H new ATOM 1209 N ASN A 89 -4.292 6.272 -9.826 1.00 75.12 N ATOM 1210 CA ASN A 89 -3.717 6.902 -8.643 1.00 72.23 C ATOM 1211 C ASN A 89 -4.800 7.571 -7.802 1.00 50.35 C ATOM 1212 O ASN A 89 -4.690 7.653 -6.579 1.00 12.24 O ATOM 1213 CB ASN A 89 -2.662 7.932 -9.051 1.00 12.32 C ATOM 1214 CG ASN A 89 -1.257 7.500 -8.679 1.00 32.43 C ATOM 1215 OD1 ASN A 89 -0.979 7.182 -7.522 1.00 75.22 O ATOM 1216 ND2 ASN A 89 -0.363 7.486 -9.660 1.00 71.34 N ATOM 0 H ASN A 89 -4.135 6.784 -10.694 1.00 75.12 H new ATOM 0 HA ASN A 89 -3.244 6.126 -8.042 1.00 72.23 H new ATOM 0 HB2 ASN A 89 -2.716 8.096 -10.127 1.00 12.32 H new ATOM 0 HB3 ASN A 89 -2.885 8.885 -8.572 1.00 12.32 H new ATOM 0 HD21 ASN A 89 0.599 7.204 -9.470 1.00 71.34 H new ATOM 0 HD22 ASN A 89 -0.638 7.757 -10.604 1.00 71.34 H new ATOM 1223 N THR A 90 -5.847 8.049 -8.468 1.00 14.04 N ATOM 1224 CA THR A 90 -6.950 8.712 -7.783 1.00 31.32 C ATOM 1225 C THR A 90 -8.090 7.738 -7.506 1.00 52.24 C ATOM 1226 O THR A 90 -9.263 8.085 -7.645 1.00 73.34 O ATOM 1227 CB THR A 90 -7.490 9.897 -8.605 1.00 14.25 C ATOM 1228 OG1 THR A 90 -8.563 10.533 -7.900 1.00 44.41 O ATOM 1229 CG2 THR A 90 -7.978 9.433 -9.969 1.00 31.35 C ATOM 0 H THR A 90 -5.954 7.989 -9.481 1.00 14.04 H new ATOM 0 HA THR A 90 -6.557 9.085 -6.837 1.00 31.32 H new ATOM 0 HB THR A 90 -6.678 10.609 -8.751 1.00 14.25 H new ATOM 0 HG1 THR A 90 -9.290 9.891 -7.763 1.00 44.41 H new ATOM 0 HG21 THR A 90 -8.355 10.288 -10.531 1.00 31.35 H new ATOM 0 HG22 THR A 90 -7.153 8.975 -10.514 1.00 31.35 H new ATOM 0 HG23 THR A 90 -8.777 8.703 -9.841 1.00 31.35 H new ATOM 1237 N VAL A 91 -7.738 6.518 -7.113 1.00 52.15 N ATOM 1238 CA VAL A 91 -8.733 5.494 -6.815 1.00 44.34 C ATOM 1239 C VAL A 91 -8.808 5.221 -5.317 1.00 54.35 C ATOM 1240 O VAL A 91 -8.003 5.734 -4.540 1.00 22.40 O ATOM 1241 CB VAL A 91 -8.420 4.178 -7.551 1.00 33.51 C ATOM 1242 CG1 VAL A 91 -8.135 4.442 -9.021 1.00 60.25 C ATOM 1243 CG2 VAL A 91 -7.249 3.464 -6.892 1.00 13.41 C ATOM 0 H VAL A 91 -6.772 6.214 -6.994 1.00 52.15 H new ATOM 0 HA VAL A 91 -9.694 5.875 -7.160 1.00 44.34 H new ATOM 0 HB VAL A 91 -9.294 3.530 -7.486 1.00 33.51 H new ATOM 0 HG11 VAL A 91 -7.916 3.500 -9.524 1.00 60.25 H new ATOM 0 HG12 VAL A 91 -9.006 4.906 -9.483 1.00 60.25 H new ATOM 0 HG13 VAL A 91 -7.278 5.109 -9.111 1.00 60.25 H new ATOM 0 HG21 VAL A 91 -7.042 2.536 -7.425 1.00 13.41 H new ATOM 0 HG22 VAL A 91 -6.368 4.105 -6.923 1.00 13.41 H new ATOM 0 HG23 VAL A 91 -7.497 3.239 -5.855 1.00 13.41 H new ATOM 1253 N LYS A 92 -9.782 4.410 -4.918 1.00 40.11 N ATOM 1254 CA LYS A 92 -9.964 4.066 -3.513 1.00 23.01 C ATOM 1255 C LYS A 92 -10.450 2.628 -3.363 1.00 60.03 C ATOM 1256 O LYS A 92 -10.681 1.934 -4.354 1.00 13.22 O ATOM 1257 CB LYS A 92 -10.961 5.024 -2.857 1.00 21.42 C ATOM 1258 CG LYS A 92 -12.409 4.731 -3.212 1.00 5.33 C ATOM 1259 CD LYS A 92 -13.329 5.857 -2.772 1.00 1.51 C ATOM 1260 CE LYS A 92 -13.386 6.968 -3.810 1.00 34.23 C ATOM 1261 NZ LYS A 92 -14.057 6.522 -5.063 1.00 24.15 N ATOM 0 H LYS A 92 -10.458 3.979 -5.548 1.00 40.11 H new ATOM 0 HA LYS A 92 -8.999 4.158 -3.014 1.00 23.01 H new ATOM 0 HB2 LYS A 92 -10.843 4.973 -1.775 1.00 21.42 H new ATOM 0 HB3 LYS A 92 -10.722 6.045 -3.155 1.00 21.42 H new ATOM 0 HG2 LYS A 92 -12.499 4.586 -4.289 1.00 5.33 H new ATOM 0 HG3 LYS A 92 -12.720 3.800 -2.738 1.00 5.33 H new ATOM 0 HD2 LYS A 92 -14.332 5.464 -2.603 1.00 1.51 H new ATOM 0 HD3 LYS A 92 -12.981 6.263 -1.822 1.00 1.51 H new ATOM 0 HE2 LYS A 92 -13.920 7.824 -3.397 1.00 34.23 H new ATOM 0 HE3 LYS A 92 -12.374 7.303 -4.039 1.00 34.23 H new ATOM 0 HZ1 LYS A 92 -14.410 7.351 -5.582 1.00 24.15 H new ATOM 0 HZ2 LYS A 92 -13.377 6.006 -5.656 1.00 24.15 H new ATOM 0 HZ3 LYS A 92 -14.854 5.897 -4.827 1.00 24.15 H new ATOM 1275 N PHE A 93 -10.604 2.187 -2.119 1.00 73.34 N ATOM 1276 CA PHE A 93 -11.064 0.831 -1.841 1.00 1.24 C ATOM 1277 C PHE A 93 -11.862 0.784 -0.541 1.00 24.14 C ATOM 1278 O PHE A 93 -11.447 1.394 0.444 1.00 53.55 O ATOM 1279 CB PHE A 93 -9.874 -0.127 -1.757 1.00 4.42 C ATOM 1280 CG PHE A 93 -10.226 -1.472 -1.191 1.00 22.52 C ATOM 1281 CD1 PHE A 93 -10.160 -1.704 0.174 1.00 44.23 C ATOM 1282 CD2 PHE A 93 -10.623 -2.507 -2.023 1.00 44.43 C ATOM 1283 CE1 PHE A 93 -10.483 -2.941 0.698 1.00 73.10 C ATOM 1284 CE2 PHE A 93 -10.948 -3.746 -1.505 1.00 1.32 C ATOM 1285 CZ PHE A 93 -10.877 -3.964 -0.143 1.00 10.43 C ATOM 0 H PHE A 93 -10.417 2.748 -1.288 1.00 73.34 H new ATOM 0 HA PHE A 93 -11.715 0.520 -2.658 1.00 1.24 H new ATOM 0 HB2 PHE A 93 -9.454 -0.260 -2.754 1.00 4.42 H new ATOM 0 HB3 PHE A 93 -9.097 0.325 -1.141 1.00 4.42 H new ATOM 0 HD1 PHE A 93 -9.852 -0.908 0.836 1.00 44.23 H new ATOM 0 HD2 PHE A 93 -10.679 -2.343 -3.089 1.00 44.43 H new ATOM 0 HE1 PHE A 93 -10.428 -3.108 1.764 1.00 73.10 H new ATOM 0 HE2 PHE A 93 -11.257 -4.543 -2.165 1.00 1.32 H new ATOM 0 HZ PHE A 93 -11.129 -4.932 0.264 1.00 10.43 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 8.994 -0.568 -20.654 1.00 74.32 C HETATM 1297 O1 PGM A 101 9.778 -0.256 -21.808 1.00 52.34 O HETATM 1298 C2 PGM A 101 9.661 -0.058 -19.367 1.00 50.12 C HETATM 1299 O2 PGM A 101 9.354 1.327 -19.235 1.00 54.41 O HETATM 1300 C3 PGM A 101 8.952 -0.770 -18.216 1.00 10.33 C HETATM 1301 O4 PGM A 101 9.362 -2.135 -18.059 1.00 70.34 O HETATM 1302 P5 PGM A 101 8.571 -2.893 -16.872 1.00 61.22 P HETATM 1303 O5A PGM A 101 7.893 -2.111 -15.819 1.00 63.40 O HETATM 1304 O5B PGM A 101 9.409 -3.995 -16.370 1.00 64.34 O HETATM 1305 O6 PGM A 101 7.308 -3.557 -17.624 1.00 43.43 O HETATM 1306 C7 PGM A 101 7.688 -4.374 -18.723 1.00 35.42 C HETATM 1307 C8 PGM A 101 6.576 -4.814 -19.675 1.00 73.33 C HETATM 1308 O8 PGM A 101 5.960 -3.737 -20.398 1.00 72.21 O HETATM 1309 C9 PGM A 101 5.516 -5.540 -18.849 1.00 51.43 C HETATM 1310 OQ1 PGM A 101 3.248 -4.523 -17.865 1.00 51.34 O HETATM 1311 OQ2 PGM A 101 4.281 -5.565 -19.585 1.00 11.53 O HETATM 1312 CA PGM A 101 3.169 -5.078 -18.948 1.00 65.10 C HETATM 1313 CB PGM A 101 1.797 -5.169 -19.617 1.00 13.35 C HETATM 1314 CC PGM A 101 0.891 -3.978 -19.254 1.00 3.31 C HETATM 1315 CD PGM A 101 -0.540 -4.507 -19.367 1.00 24.02 C HETATM 1316 CE PGM A 101 -1.561 -3.568 -18.705 1.00 23.30 C HETATM 1317 CF PGM A 101 -3.014 -3.879 -19.048 1.00 71.24 C HETATM 1318 CG PGM A 101 -4.056 -2.799 -18.728 1.00 64.32 C HETATM 1319 CH PGM A 101 -4.684 -2.954 -17.345 1.00 71.52 C HETATM 1320 CI PGM A 101 -5.185 -1.551 -16.974 1.00 25.05 C HETATM 1321 CJ PGM A 101 -6.290 -1.623 -15.921 1.00 45.54 C HETATM 1322 CK PGM A 101 -5.753 -1.919 -14.521 1.00 62.15 C HETATM 1323 CL PGM A 101 -5.702 -3.434 -14.310 1.00 14.30 C HETATM 1324 CM PGM A 101 -5.821 -3.600 -12.793 1.00 21.13 C HETATM 1325 CN PGM A 101 -4.403 -3.390 -12.281 1.00 44.11 C HETATM 1326 CO PGM A 101 -3.665 -4.722 -12.481 1.00 70.44 C HETATM 1327 CP PGM A 101 -4.131 -5.950 -11.698 1.00 11.03 C HETATM 0 HCP3 PGM A 101 -4.053 -5.751 -10.629 1.00 11.03 H new HETATM 0 HCP2 PGM A 101 -5.168 -6.171 -11.951 1.00 11.03 H new HETATM 0 HCP1 PGM A 101 -3.505 -6.805 -11.955 1.00 11.03 H new HETATM 0 HCO2 PGM A 101 -3.713 -4.970 -13.541 1.00 70.44 H new HETATM 0 HCO1 PGM A 101 -2.615 -4.556 -12.240 1.00 70.44 H new HETATM 0 HCN2 PGM A 101 -3.908 -2.587 -12.827 1.00 44.11 H new HETATM 0 HCN1 PGM A 101 -4.409 -3.104 -11.229 1.00 44.11 H new HETATM 0 HCM2 PGM A 101 -6.510 -2.872 -12.366 1.00 21.13 H new HETATM 0 HCM1 PGM A 101 -6.197 -4.588 -12.529 1.00 21.13 H new HETATM 0 HCL2 PGM A 101 -6.516 -3.937 -14.832 1.00 14.30 H new HETATM 0 HCL1 PGM A 101 -4.771 -3.858 -14.686 1.00 14.30 H new HETATM 0 HCK2 PGM A 101 -4.758 -1.490 -14.402 1.00 62.15 H new HETATM 0 HCK1 PGM A 101 -6.392 -1.457 -13.768 1.00 62.15 H new HETATM 0 HCJ2 PGM A 101 -6.833 -0.678 -15.905 1.00 45.54 H new HETATM 0 HCJ1 PGM A 101 -7.005 -2.396 -16.203 1.00 45.54 H new HETATM 0 HCI2 PGM A 101 -4.356 -0.954 -16.595 1.00 25.05 H new HETATM 0 HCI1 PGM A 101 -5.560 -1.048 -17.865 1.00 25.05 H new HETATM 0 HCH2 PGM A 101 -5.503 -3.673 -17.362 1.00 71.52 H new HETATM 0 HCH1 PGM A 101 -3.956 -3.317 -16.620 1.00 71.52 H new HETATM 0 HCG2 PGM A 101 -3.585 -1.818 -18.797 1.00 64.32 H new HETATM 0 HCG1 PGM A 101 -4.843 -2.829 -19.482 1.00 64.32 H new HETATM 0 HCF2 PGM A 101 -3.070 -4.097 -20.114 1.00 71.24 H new HETATM 0 HCF1 PGM A 101 -3.298 -4.790 -18.521 1.00 71.24 H new HETATM 0 HCE2 PGM A 101 -1.436 -3.619 -17.623 1.00 23.30 H new HETATM 0 HCE1 PGM A 101 -1.341 -2.543 -19.003 1.00 23.30 H new HETATM 0 HCD2 PGM A 101 -0.796 -4.635 -20.419 1.00 24.02 H new HETATM 0 HCD1 PGM A 101 -0.599 -5.491 -18.902 1.00 24.02 H new HETATM 0 HCC2 PGM A 101 1.099 -3.619 -18.246 1.00 3.31 H new HETATM 0 HCC1 PGM A 101 1.054 -3.139 -19.931 1.00 3.31 H new HETATM 0 HCB2 PGM A 101 1.924 -5.209 -20.699 1.00 13.35 H new HETATM 0 HCB1 PGM A 101 1.310 -6.097 -19.318 1.00 13.35 H new HETATM 0 HC92 PGM A 101 5.843 -6.556 -18.628 1.00 51.43 H new HETATM 0 HC91 PGM A 101 5.374 -5.036 -17.893 1.00 51.43 H new HETATM 0 HC72 PGM A 101 8.438 -3.835 -19.303 1.00 35.42 H new HETATM 0 HC71 PGM A 101 8.171 -5.268 -18.330 1.00 35.42 H new HETATM 0 HC32 PGM A 101 9.145 -0.230 -17.289 1.00 10.33 H new HETATM 0 HC31 PGM A 101 7.876 -0.738 -18.385 1.00 10.33 H new HETATM 0 HC12 PGM A 101 8.004 -0.122 -20.754 1.00 74.32 H new HETATM 0 HC11 PGM A 101 8.853 -1.647 -20.589 1.00 74.32 H new HETATM 0 HO8 PGM A 101 5.936 -3.956 -21.353 1.00 72.21 H new HETATM 0 HO2 PGM A 101 9.768 1.677 -18.419 1.00 54.41 H new HETATM 0 HO1 PGM A 101 9.328 -0.595 -22.610 1.00 52.34 H new HETATM 0 HC8 PGM A 101 7.028 -5.457 -20.430 1.00 73.33 H new HETATM 0 HC2 PGM A 101 10.738 -0.226 -19.375 1.00 50.12 H new