USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 542 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 7 TYR OH : rot -15:sc= 0.217 USER MOD Set 1.2: A 50 SER OG : rot -62:sc= 0.378 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 1.48 (180deg=-0.505) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= 1.08 (180deg=0.887) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 13 SER OG : rot 180:sc= -0.039 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.166 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 16 ASN : amide:sc= 0.036 K(o=0.036,f=-2.5!) USER MOD Single : A 17 CYS SG : rot 170:sc= -0.166 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0.0013 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.68 F(o=-2.9!,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= 1.27 (180deg=0.844) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00282 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 41 SER OG : rot 29:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00107 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 52 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 53 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.6!) USER MOD Single : A 56 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.041) USER MOD Single : A 62 HIS : no HE2:sc= 0.00154 K(o=0.0015,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.16) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0531) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.089 -12.500 -12.910 1.00 6.50 N ATOM 2 CA MET A 1 -14.216 -11.159 -12.310 1.00 5.67 C ATOM 3 C MET A 1 -12.821 -10.551 -12.204 1.00 5.36 C ATOM 4 O MET A 1 -11.896 -11.128 -12.769 1.00 6.11 O ATOM 5 CB MET A 1 -14.985 -11.189 -10.975 1.00 5.62 C ATOM 6 CG MET A 1 -14.600 -12.355 -10.055 1.00 5.86 C ATOM 7 SD MET A 1 -15.442 -13.901 -10.482 1.00 7.24 S ATOM 8 CE MET A 1 -14.771 -15.018 -9.233 1.00 8.11 C ATOM 0 H1 MET A 1 -14.409 -12.470 -13.899 1.00 6.50 H new ATOM 0 H2 MET A 1 -13.094 -12.802 -12.877 1.00 6.50 H new ATOM 0 H3 MET A 1 -14.674 -13.175 -12.378 1.00 6.50 H new ATOM 0 HA MET A 1 -14.822 -10.518 -12.950 1.00 5.67 H new ATOM 0 HB2 MET A 1 -14.811 -10.251 -10.447 1.00 5.62 H new ATOM 0 HB3 MET A 1 -16.053 -11.243 -11.185 1.00 5.62 H new ATOM 0 HG2 MET A 1 -13.522 -12.509 -10.105 1.00 5.86 H new ATOM 0 HG3 MET A 1 -14.837 -12.091 -9.024 1.00 5.86 H new ATOM 0 HE1 MET A 1 -15.197 -16.012 -9.367 1.00 8.11 H new ATOM 0 HE2 MET A 1 -13.687 -15.071 -9.337 1.00 8.11 H new ATOM 0 HE3 MET A 1 -15.023 -14.646 -8.240 1.00 8.11 H new ATOM 20 N ALA A 2 -12.686 -9.402 -11.540 1.00 4.76 N ATOM 21 CA ALA A 2 -11.414 -8.749 -11.291 1.00 4.66 C ATOM 22 C ALA A 2 -11.503 -8.073 -9.929 1.00 3.15 C ATOM 23 O ALA A 2 -12.387 -7.235 -9.734 1.00 3.60 O ATOM 24 CB ALA A 2 -11.146 -7.704 -12.377 1.00 6.12 C ATOM 0 H ALA A 2 -13.481 -8.893 -11.154 1.00 4.76 H new ATOM 0 HA ALA A 2 -10.600 -9.474 -11.305 1.00 4.66 H new ATOM 0 HB1 ALA A 2 -10.190 -7.217 -12.185 1.00 6.12 H new ATOM 0 HB2 ALA A 2 -11.116 -8.191 -13.351 1.00 6.12 H new ATOM 0 HB3 ALA A 2 -11.941 -6.958 -12.369 1.00 6.12 H new ATOM 30 N GLU A 3 -10.613 -8.435 -9.013 1.00 2.11 N ATOM 31 CA GLU A 3 -10.493 -7.892 -7.680 1.00 1.09 C ATOM 32 C GLU A 3 -9.607 -6.638 -7.703 1.00 1.07 C ATOM 33 O GLU A 3 -8.398 -6.703 -7.943 1.00 1.62 O ATOM 34 CB GLU A 3 -9.964 -8.988 -6.745 1.00 2.56 C ATOM 35 CG GLU A 3 -10.980 -10.136 -6.564 1.00 3.32 C ATOM 36 CD GLU A 3 -10.894 -11.270 -7.592 1.00 4.47 C ATOM 37 OE1 GLU A 3 -10.906 -10.975 -8.808 1.00 4.86 O ATOM 38 OE2 GLU A 3 -10.875 -12.433 -7.142 1.00 5.65 O ATOM 0 H GLU A 3 -9.918 -9.158 -9.199 1.00 2.11 H new ATOM 0 HA GLU A 3 -11.464 -7.575 -7.299 1.00 1.09 H new ATOM 0 HB2 GLU A 3 -9.033 -9.388 -7.146 1.00 2.56 H new ATOM 0 HB3 GLU A 3 -9.731 -8.554 -5.773 1.00 2.56 H new ATOM 0 HG2 GLU A 3 -10.846 -10.561 -5.569 1.00 3.32 H new ATOM 0 HG3 GLU A 3 -11.985 -9.715 -6.598 1.00 3.32 H new ATOM 45 N LYS A 4 -10.243 -5.490 -7.440 1.00 0.78 N ATOM 46 CA LYS A 4 -9.613 -4.218 -7.139 1.00 0.67 C ATOM 47 C LYS A 4 -10.150 -3.806 -5.776 1.00 0.56 C ATOM 48 O LYS A 4 -11.298 -4.128 -5.462 1.00 0.63 O ATOM 49 CB LYS A 4 -9.857 -3.154 -8.233 1.00 0.82 C ATOM 50 CG LYS A 4 -11.246 -2.476 -8.296 1.00 1.17 C ATOM 51 CD LYS A 4 -12.140 -2.922 -9.463 1.00 1.64 C ATOM 52 CE LYS A 4 -12.379 -4.427 -9.378 1.00 3.42 C ATOM 53 NZ LYS A 4 -13.499 -4.908 -10.206 1.00 4.96 N ATOM 0 H LYS A 4 -11.261 -5.430 -7.433 1.00 0.78 H new ATOM 0 HA LYS A 4 -8.527 -4.313 -7.116 1.00 0.67 H new ATOM 0 HB2 LYS A 4 -9.109 -2.371 -8.108 1.00 0.82 H new ATOM 0 HB3 LYS A 4 -9.670 -3.622 -9.200 1.00 0.82 H new ATOM 0 HG2 LYS A 4 -11.771 -2.673 -7.361 1.00 1.17 H new ATOM 0 HG3 LYS A 4 -11.103 -1.397 -8.360 1.00 1.17 H new ATOM 0 HD2 LYS A 4 -13.091 -2.390 -9.430 1.00 1.64 H new ATOM 0 HD3 LYS A 4 -11.667 -2.672 -10.413 1.00 1.64 H new ATOM 0 HE2 LYS A 4 -11.469 -4.946 -9.680 1.00 3.42 H new ATOM 0 HE3 LYS A 4 -12.569 -4.695 -8.339 1.00 3.42 H new ATOM 0 HZ1 LYS A 4 -13.396 -5.930 -10.369 1.00 4.96 H new ATOM 0 HZ2 LYS A 4 -14.397 -4.724 -9.715 1.00 4.96 H new ATOM 0 HZ3 LYS A 4 -13.495 -4.410 -11.119 1.00 4.96 H new ATOM 67 N THR A 5 -9.363 -3.118 -4.954 1.00 0.48 N ATOM 68 CA THR A 5 -9.833 -2.614 -3.672 1.00 0.41 C ATOM 69 C THR A 5 -8.991 -1.416 -3.357 1.00 0.34 C ATOM 70 O THR A 5 -7.869 -1.319 -3.847 1.00 0.42 O ATOM 71 CB THR A 5 -9.685 -3.665 -2.558 1.00 0.50 C ATOM 72 OG1 THR A 5 -10.410 -4.778 -2.967 1.00 0.69 O ATOM 73 CG2 THR A 5 -10.288 -3.226 -1.218 1.00 0.51 C ATOM 0 H THR A 5 -8.388 -2.896 -5.158 1.00 0.48 H new ATOM 0 HA THR A 5 -10.893 -2.366 -3.730 1.00 0.41 H new ATOM 0 HB THR A 5 -8.620 -3.842 -2.406 1.00 0.50 H new ATOM 0 HG1 THR A 5 -10.344 -5.480 -2.286 1.00 0.69 H new ATOM 0 HG21 THR A 5 -10.147 -4.015 -0.480 1.00 0.51 H new ATOM 0 HG22 THR A 5 -9.793 -2.317 -0.876 1.00 0.51 H new ATOM 0 HG23 THR A 5 -11.353 -3.033 -1.344 1.00 0.51 H new ATOM 81 N VAL A 6 -9.519 -0.523 -2.531 1.00 0.31 N ATOM 82 CA VAL A 6 -8.732 0.531 -1.973 1.00 0.26 C ATOM 83 C VAL A 6 -8.965 0.648 -0.477 1.00 0.26 C ATOM 84 O VAL A 6 -10.042 0.319 0.018 1.00 0.42 O ATOM 85 CB VAL A 6 -8.944 1.801 -2.804 1.00 0.30 C ATOM 86 CG1 VAL A 6 -10.408 2.130 -3.105 1.00 0.38 C ATOM 87 CG2 VAL A 6 -8.271 3.039 -2.207 1.00 0.30 C ATOM 0 H VAL A 6 -10.497 -0.521 -2.240 1.00 0.31 H new ATOM 0 HA VAL A 6 -7.665 0.318 -2.039 1.00 0.26 H new ATOM 0 HB VAL A 6 -8.459 1.551 -3.747 1.00 0.30 H new ATOM 0 HG11 VAL A 6 -10.461 3.044 -3.697 1.00 0.38 H new ATOM 0 HG12 VAL A 6 -10.858 1.309 -3.663 1.00 0.38 H new ATOM 0 HG13 VAL A 6 -10.949 2.272 -2.169 1.00 0.38 H new ATOM 0 HG21 VAL A 6 -8.462 3.901 -2.846 1.00 0.30 H new ATOM 0 HG22 VAL A 6 -8.675 3.228 -1.212 1.00 0.30 H new ATOM 0 HG23 VAL A 6 -7.196 2.871 -2.136 1.00 0.30 H new ATOM 97 N TYR A 7 -7.896 1.017 0.228 1.00 0.18 N ATOM 98 CA TYR A 7 -7.818 1.048 1.675 1.00 0.18 C ATOM 99 C TYR A 7 -7.246 2.411 2.046 1.00 0.19 C ATOM 100 O TYR A 7 -6.419 2.949 1.302 1.00 0.26 O ATOM 101 CB TYR A 7 -6.892 -0.078 2.160 1.00 0.20 C ATOM 102 CG TYR A 7 -7.197 -1.472 1.632 1.00 0.26 C ATOM 103 CD1 TYR A 7 -6.816 -1.836 0.324 1.00 1.83 C ATOM 104 CD2 TYR A 7 -7.708 -2.456 2.497 1.00 1.59 C ATOM 105 CE1 TYR A 7 -7.041 -3.143 -0.142 1.00 1.90 C ATOM 106 CE2 TYR A 7 -7.935 -3.763 2.029 1.00 1.55 C ATOM 107 CZ TYR A 7 -7.648 -4.094 0.696 1.00 0.44 C ATOM 108 OH TYR A 7 -7.868 -5.367 0.256 1.00 0.64 O ATOM 0 H TYR A 7 -7.028 1.313 -0.219 1.00 0.18 H new ATOM 0 HA TYR A 7 -8.793 0.900 2.139 1.00 0.18 H new ATOM 0 HB2 TYR A 7 -5.869 0.177 1.884 1.00 0.20 H new ATOM 0 HB3 TYR A 7 -6.930 -0.108 3.249 1.00 0.20 H new ATOM 0 HD1 TYR A 7 -6.349 -1.108 -0.322 1.00 1.83 H new ATOM 0 HD2 TYR A 7 -7.927 -2.207 3.525 1.00 1.59 H new ATOM 0 HE1 TYR A 7 -6.747 -3.417 -1.145 1.00 1.90 H new ATOM 0 HE2 TYR A 7 -8.331 -4.513 2.697 1.00 1.55 H new ATOM 0 HH TYR A 7 -7.774 -5.397 -0.719 1.00 0.64 H new ATOM 118 N ARG A 8 -7.664 2.976 3.179 1.00 0.19 N ATOM 119 CA ARG A 8 -7.129 4.253 3.620 1.00 0.22 C ATOM 120 C ARG A 8 -5.846 4.006 4.391 1.00 0.20 C ATOM 121 O ARG A 8 -5.846 3.203 5.321 1.00 0.28 O ATOM 122 CB ARG A 8 -8.136 5.014 4.480 1.00 0.34 C ATOM 123 CG ARG A 8 -8.844 6.057 3.609 1.00 0.71 C ATOM 124 CD ARG A 8 -9.765 6.924 4.461 1.00 1.06 C ATOM 125 NE ARG A 8 -8.954 7.693 5.421 1.00 2.44 N ATOM 126 CZ ARG A 8 -9.405 8.624 6.266 1.00 3.31 C ATOM 127 NH1 ARG A 8 -10.704 8.948 6.249 1.00 3.13 N ATOM 128 NH2 ARG A 8 -8.548 9.211 7.107 1.00 5.15 N ATOM 0 H ARG A 8 -8.365 2.570 3.799 1.00 0.19 H new ATOM 0 HA ARG A 8 -6.922 4.871 2.746 1.00 0.22 H new ATOM 0 HB2 ARG A 8 -8.863 4.324 4.908 1.00 0.34 H new ATOM 0 HB3 ARG A 8 -7.629 5.500 5.313 1.00 0.34 H new ATOM 0 HG2 ARG A 8 -8.106 6.683 3.108 1.00 0.71 H new ATOM 0 HG3 ARG A 8 -9.421 5.559 2.830 1.00 0.71 H new ATOM 0 HD2 ARG A 8 -10.338 7.600 3.826 1.00 1.06 H new ATOM 0 HD3 ARG A 8 -10.484 6.300 4.992 1.00 1.06 H new ATOM 0 HE ARG A 8 -7.953 7.496 5.442 1.00 2.44 H new ATOM 0 HH11 ARG A 8 -11.336 8.485 5.596 1.00 3.13 H new ATOM 0 HH12 ARG A 8 -11.061 9.657 6.889 1.00 3.13 H new ATOM 0 HH21 ARG A 8 -7.563 8.946 7.098 1.00 5.15 H new ATOM 0 HH22 ARG A 8 -8.879 9.924 7.757 1.00 5.15 H new ATOM 142 N VAL A 9 -4.777 4.705 4.004 1.00 0.28 N ATOM 143 CA VAL A 9 -3.492 4.692 4.677 1.00 0.30 C ATOM 144 C VAL A 9 -3.295 6.075 5.282 1.00 0.35 C ATOM 145 O VAL A 9 -3.565 7.075 4.620 1.00 0.46 O ATOM 146 CB VAL A 9 -2.369 4.292 3.701 1.00 0.37 C ATOM 147 CG1 VAL A 9 -2.368 5.088 2.389 1.00 0.38 C ATOM 148 CG2 VAL A 9 -1.005 4.424 4.366 1.00 0.49 C ATOM 0 H VAL A 9 -4.790 5.313 3.185 1.00 0.28 H new ATOM 0 HA VAL A 9 -3.461 3.946 5.471 1.00 0.30 H new ATOM 0 HB VAL A 9 -2.570 3.252 3.442 1.00 0.37 H new ATOM 0 HG11 VAL A 9 -1.548 4.747 1.757 1.00 0.38 H new ATOM 0 HG12 VAL A 9 -3.314 4.935 1.870 1.00 0.38 H new ATOM 0 HG13 VAL A 9 -2.241 6.148 2.607 1.00 0.38 H new ATOM 0 HG21 VAL A 9 -0.226 4.137 3.659 1.00 0.49 H new ATOM 0 HG22 VAL A 9 -0.850 5.457 4.676 1.00 0.49 H new ATOM 0 HG23 VAL A 9 -0.961 3.773 5.239 1.00 0.49 H new ATOM 158 N ASP A 10 -2.840 6.118 6.534 1.00 0.38 N ATOM 159 CA ASP A 10 -2.610 7.349 7.267 1.00 0.47 C ATOM 160 C ASP A 10 -1.347 7.089 8.089 1.00 0.49 C ATOM 161 O ASP A 10 -1.021 5.929 8.355 1.00 0.58 O ATOM 162 CB ASP A 10 -3.843 7.685 8.137 1.00 0.66 C ATOM 163 CG ASP A 10 -4.835 8.634 7.451 1.00 1.62 C ATOM 164 OD1 ASP A 10 -4.383 9.735 7.074 1.00 1.81 O ATOM 165 OD2 ASP A 10 -6.039 8.285 7.348 1.00 3.05 O ATOM 0 H ASP A 10 -2.619 5.280 7.071 1.00 0.38 H new ATOM 0 HA ASP A 10 -2.469 8.217 6.622 1.00 0.47 H new ATOM 0 HB2 ASP A 10 -4.358 6.760 8.397 1.00 0.66 H new ATOM 0 HB3 ASP A 10 -3.507 8.136 9.071 1.00 0.66 H new ATOM 170 N GLY A 11 -0.612 8.146 8.448 1.00 0.54 N ATOM 171 CA GLY A 11 0.637 8.065 9.195 1.00 0.57 C ATOM 172 C GLY A 11 1.758 8.809 8.470 1.00 0.74 C ATOM 173 O GLY A 11 2.075 9.941 8.827 1.00 1.60 O ATOM 0 H GLY A 11 -0.880 9.103 8.219 1.00 0.54 H new ATOM 0 HA2 GLY A 11 0.498 8.489 10.190 1.00 0.57 H new ATOM 0 HA3 GLY A 11 0.917 7.020 9.330 1.00 0.57 H new ATOM 177 N LEU A 12 2.381 8.164 7.479 1.00 0.56 N ATOM 178 CA LEU A 12 3.545 8.720 6.794 1.00 0.68 C ATOM 179 C LEU A 12 3.119 9.728 5.721 1.00 0.92 C ATOM 180 O LEU A 12 1.971 9.724 5.278 1.00 1.37 O ATOM 181 CB LEU A 12 4.440 7.591 6.249 1.00 1.07 C ATOM 182 CG LEU A 12 4.126 7.075 4.835 1.00 1.51 C ATOM 183 CD1 LEU A 12 4.553 8.007 3.695 1.00 2.72 C ATOM 184 CD2 LEU A 12 4.872 5.753 4.679 1.00 2.61 C ATOM 0 H LEU A 12 2.093 7.249 7.133 1.00 0.56 H new ATOM 0 HA LEU A 12 4.149 9.278 7.510 1.00 0.68 H new ATOM 0 HB2 LEU A 12 5.472 7.941 6.261 1.00 1.07 H new ATOM 0 HB3 LEU A 12 4.381 6.749 6.938 1.00 1.07 H new ATOM 0 HG LEU A 12 3.043 6.989 4.753 1.00 1.51 H new ATOM 0 HD11 LEU A 12 4.289 7.556 2.738 1.00 2.72 H new ATOM 0 HD12 LEU A 12 4.043 8.965 3.798 1.00 2.72 H new ATOM 0 HD13 LEU A 12 5.631 8.164 3.737 1.00 2.72 H new ATOM 0 HD21 LEU A 12 4.682 5.343 3.687 1.00 2.61 H new ATOM 0 HD22 LEU A 12 5.942 5.922 4.803 1.00 2.61 H new ATOM 0 HD23 LEU A 12 4.526 5.049 5.436 1.00 2.61 H new ATOM 196 N SER A 13 4.059 10.563 5.261 1.00 1.18 N ATOM 197 CA SER A 13 3.814 11.536 4.203 1.00 1.62 C ATOM 198 C SER A 13 5.090 11.782 3.385 1.00 1.26 C ATOM 199 O SER A 13 5.740 12.808 3.584 1.00 1.48 O ATOM 200 CB SER A 13 3.277 12.825 4.850 1.00 2.43 C ATOM 201 OG SER A 13 3.243 13.890 3.921 1.00 3.67 O ATOM 0 H SER A 13 5.014 10.578 5.618 1.00 1.18 H new ATOM 0 HA SER A 13 3.070 11.158 3.501 1.00 1.62 H new ATOM 0 HB2 SER A 13 2.275 12.648 5.241 1.00 2.43 H new ATOM 0 HB3 SER A 13 3.906 13.099 5.697 1.00 2.43 H new ATOM 0 HG SER A 13 2.896 14.695 4.359 1.00 3.67 H new ATOM 207 N CYS A 14 5.446 10.890 2.447 1.00 1.05 N ATOM 208 CA CYS A 14 6.611 11.090 1.581 1.00 0.95 C ATOM 209 C CYS A 14 6.552 10.226 0.312 1.00 0.88 C ATOM 210 O CYS A 14 6.038 9.107 0.338 1.00 1.02 O ATOM 211 CB CYS A 14 7.898 10.791 2.357 1.00 1.04 C ATOM 212 SG CYS A 14 9.302 11.359 1.372 1.00 1.78 S ATOM 0 H CYS A 14 4.940 10.022 2.271 1.00 1.05 H new ATOM 0 HA CYS A 14 6.603 12.133 1.264 1.00 0.95 H new ATOM 0 HB2 CYS A 14 7.884 11.295 3.323 1.00 1.04 H new ATOM 0 HB3 CYS A 14 7.982 9.723 2.556 1.00 1.04 H new ATOM 0 HG CYS A 14 10.407 11.118 2.012 1.00 1.78 H new ATOM 218 N THR A 15 7.084 10.741 -0.801 1.00 0.86 N ATOM 219 CA THR A 15 7.087 10.101 -2.108 1.00 0.86 C ATOM 220 C THR A 15 7.987 8.862 -2.138 1.00 0.78 C ATOM 221 O THR A 15 7.588 7.815 -2.644 1.00 0.75 O ATOM 222 CB THR A 15 7.517 11.135 -3.156 1.00 0.99 C ATOM 223 OG1 THR A 15 6.851 12.352 -2.883 1.00 1.26 O ATOM 224 CG2 THR A 15 7.175 10.664 -4.573 1.00 1.56 C ATOM 0 H THR A 15 7.541 11.653 -0.810 1.00 0.86 H new ATOM 0 HA THR A 15 6.081 9.747 -2.335 1.00 0.86 H new ATOM 0 HB THR A 15 8.597 11.269 -3.102 1.00 0.99 H new ATOM 0 HG1 THR A 15 7.116 13.025 -3.544 1.00 1.26 H new ATOM 0 HG21 THR A 15 7.492 11.418 -5.293 1.00 1.56 H new ATOM 0 HG22 THR A 15 7.691 9.726 -4.779 1.00 1.56 H new ATOM 0 HG23 THR A 15 6.099 10.512 -4.656 1.00 1.56 H new ATOM 232 N ASN A 16 9.209 8.957 -1.605 1.00 0.78 N ATOM 233 CA ASN A 16 10.158 7.846 -1.595 1.00 0.75 C ATOM 234 C ASN A 16 9.531 6.615 -0.942 1.00 0.65 C ATOM 235 O ASN A 16 9.641 5.493 -1.436 1.00 0.63 O ATOM 236 CB ASN A 16 11.444 8.241 -0.855 1.00 0.82 C ATOM 237 CG ASN A 16 12.178 9.372 -1.567 1.00 1.50 C ATOM 238 OD1 ASN A 16 11.639 10.465 -1.701 1.00 2.75 O ATOM 239 ND2 ASN A 16 13.400 9.124 -2.031 1.00 2.28 N ATOM 0 H ASN A 16 9.566 9.807 -1.169 1.00 0.78 H new ATOM 0 HA ASN A 16 10.412 7.604 -2.627 1.00 0.75 H new ATOM 0 HB2 ASN A 16 11.199 8.549 0.162 1.00 0.82 H new ATOM 0 HB3 ASN A 16 12.100 7.374 -0.776 1.00 0.82 H new ATOM 0 HD21 ASN A 16 13.919 9.855 -2.516 1.00 2.28 H new ATOM 0 HD22 ASN A 16 13.817 8.202 -1.901 1.00 2.28 H new ATOM 246 N CYS A 17 8.839 6.844 0.175 1.00 0.62 N ATOM 247 CA CYS A 17 8.069 5.807 0.840 1.00 0.57 C ATOM 248 C CYS A 17 7.043 5.207 -0.116 1.00 0.60 C ATOM 249 O CYS A 17 6.896 3.990 -0.164 1.00 0.54 O ATOM 250 CB CYS A 17 7.349 6.376 2.057 1.00 0.74 C ATOM 251 SG CYS A 17 8.426 6.388 3.506 1.00 0.97 S ATOM 0 H CYS A 17 8.800 7.752 0.638 1.00 0.62 H new ATOM 0 HA CYS A 17 8.760 5.028 1.161 1.00 0.57 H new ATOM 0 HB2 CYS A 17 7.012 7.390 1.842 1.00 0.74 H new ATOM 0 HB3 CYS A 17 6.459 5.782 2.267 1.00 0.74 H new ATOM 0 HG CYS A 17 7.863 7.068 4.460 1.00 0.97 H new ATOM 257 N ALA A 18 6.322 6.048 -0.866 1.00 0.73 N ATOM 258 CA ALA A 18 5.364 5.594 -1.871 1.00 0.81 C ATOM 259 C ALA A 18 6.049 4.677 -2.877 1.00 0.75 C ATOM 260 O ALA A 18 5.565 3.576 -3.117 1.00 0.76 O ATOM 261 CB ALA A 18 4.661 6.779 -2.552 1.00 0.92 C ATOM 0 H ALA A 18 6.389 7.063 -0.790 1.00 0.73 H new ATOM 0 HA ALA A 18 4.585 5.017 -1.372 1.00 0.81 H new ATOM 0 HB1 ALA A 18 3.955 6.406 -3.294 1.00 0.92 H new ATOM 0 HB2 ALA A 18 4.126 7.363 -1.804 1.00 0.92 H new ATOM 0 HB3 ALA A 18 5.403 7.409 -3.042 1.00 0.92 H new ATOM 267 N ALA A 19 7.188 5.105 -3.427 1.00 0.73 N ATOM 268 CA ALA A 19 7.957 4.285 -4.358 1.00 0.73 C ATOM 269 C ALA A 19 8.244 2.911 -3.743 1.00 0.63 C ATOM 270 O ALA A 19 8.064 1.875 -4.383 1.00 0.68 O ATOM 271 CB ALA A 19 9.255 4.994 -4.756 1.00 0.80 C ATOM 0 H ALA A 19 7.597 6.020 -3.240 1.00 0.73 H new ATOM 0 HA ALA A 19 7.367 4.136 -5.263 1.00 0.73 H new ATOM 0 HB1 ALA A 19 9.814 4.367 -5.450 1.00 0.80 H new ATOM 0 HB2 ALA A 19 9.018 5.944 -5.235 1.00 0.80 H new ATOM 0 HB3 ALA A 19 9.857 5.177 -3.866 1.00 0.80 H new ATOM 277 N LYS A 20 8.686 2.904 -2.482 1.00 0.57 N ATOM 278 CA LYS A 20 8.951 1.667 -1.765 1.00 0.56 C ATOM 279 C LYS A 20 7.671 0.829 -1.629 1.00 0.53 C ATOM 280 O LYS A 20 7.695 -0.369 -1.894 1.00 0.55 O ATOM 281 CB LYS A 20 9.620 1.989 -0.418 1.00 0.58 C ATOM 282 CG LYS A 20 10.645 0.917 -0.010 1.00 0.63 C ATOM 283 CD LYS A 20 11.607 1.439 1.070 1.00 1.12 C ATOM 284 CE LYS A 20 10.900 1.576 2.425 1.00 2.54 C ATOM 285 NZ LYS A 20 11.690 2.329 3.420 1.00 3.49 N ATOM 0 H LYS A 20 8.867 3.749 -1.940 1.00 0.57 H new ATOM 0 HA LYS A 20 9.648 1.049 -2.331 1.00 0.56 H new ATOM 0 HB2 LYS A 20 10.115 2.958 -0.482 1.00 0.58 H new ATOM 0 HB3 LYS A 20 8.856 2.072 0.355 1.00 0.58 H new ATOM 0 HG2 LYS A 20 10.123 0.036 0.362 1.00 0.63 H new ATOM 0 HG3 LYS A 20 11.214 0.605 -0.885 1.00 0.63 H new ATOM 0 HD2 LYS A 20 12.453 0.759 1.166 1.00 1.12 H new ATOM 0 HD3 LYS A 20 12.008 2.406 0.767 1.00 1.12 H new ATOM 0 HE2 LYS A 20 9.942 2.075 2.279 1.00 2.54 H new ATOM 0 HE3 LYS A 20 10.686 0.582 2.818 1.00 2.54 H new ATOM 0 HZ1 LYS A 20 11.114 2.490 4.271 1.00 3.49 H new ATOM 0 HZ2 LYS A 20 12.539 1.784 3.674 1.00 3.49 H new ATOM 0 HZ3 LYS A 20 11.974 3.244 3.017 1.00 3.49 H new ATOM 299 N PHE A 21 6.554 1.451 -1.242 1.00 0.52 N ATOM 300 CA PHE A 21 5.248 0.803 -1.163 1.00 0.54 C ATOM 301 C PHE A 21 4.879 0.165 -2.503 1.00 0.55 C ATOM 302 O PHE A 21 4.754 -1.052 -2.577 1.00 0.54 O ATOM 303 CB PHE A 21 4.167 1.803 -0.704 1.00 0.60 C ATOM 304 CG PHE A 21 3.240 1.363 0.418 1.00 0.95 C ATOM 305 CD1 PHE A 21 3.780 0.933 1.644 1.00 1.56 C ATOM 306 CD2 PHE A 21 1.876 1.709 0.358 1.00 2.52 C ATOM 307 CE1 PHE A 21 3.004 0.974 2.814 1.00 1.59 C ATOM 308 CE2 PHE A 21 1.116 1.809 1.536 1.00 2.79 C ATOM 309 CZ PHE A 21 1.696 1.479 2.770 1.00 1.52 C ATOM 0 H PHE A 21 6.535 2.434 -0.971 1.00 0.52 H new ATOM 0 HA PHE A 21 5.304 0.009 -0.418 1.00 0.54 H new ATOM 0 HB2 PHE A 21 4.667 2.719 -0.389 1.00 0.60 H new ATOM 0 HB3 PHE A 21 3.553 2.056 -1.568 1.00 0.60 H new ATOM 0 HD1 PHE A 21 4.796 0.570 1.686 1.00 1.56 H new ATOM 0 HD2 PHE A 21 1.412 1.898 -0.598 1.00 2.52 H new ATOM 0 HE1 PHE A 21 3.414 0.617 3.747 1.00 1.59 H new ATOM 0 HE2 PHE A 21 0.089 2.139 1.491 1.00 2.79 H new ATOM 0 HZ PHE A 21 1.137 1.613 3.684 1.00 1.52 H new ATOM 319 N GLU A 22 4.688 0.953 -3.564 1.00 0.58 N ATOM 320 CA GLU A 22 4.182 0.410 -4.818 1.00 0.62 C ATOM 321 C GLU A 22 5.112 -0.680 -5.362 1.00 0.57 C ATOM 322 O GLU A 22 4.634 -1.709 -5.833 1.00 0.59 O ATOM 323 CB GLU A 22 3.894 1.511 -5.845 1.00 0.66 C ATOM 324 CG GLU A 22 5.061 2.465 -6.150 1.00 0.48 C ATOM 325 CD GLU A 22 5.594 2.283 -7.563 1.00 1.16 C ATOM 326 OE1 GLU A 22 5.841 1.118 -7.941 1.00 2.42 O ATOM 327 OE2 GLU A 22 5.695 3.287 -8.295 1.00 1.93 O ATOM 0 H GLU A 22 4.874 1.956 -3.577 1.00 0.58 H new ATOM 0 HA GLU A 22 3.223 -0.065 -4.612 1.00 0.62 H new ATOM 0 HB2 GLU A 22 3.582 1.040 -6.777 1.00 0.66 H new ATOM 0 HB3 GLU A 22 3.050 2.102 -5.489 1.00 0.66 H new ATOM 0 HG2 GLU A 22 4.731 3.495 -6.017 1.00 0.48 H new ATOM 0 HG3 GLU A 22 5.865 2.294 -5.435 1.00 0.48 H new ATOM 334 N ARG A 23 6.431 -0.489 -5.251 1.00 0.53 N ATOM 335 CA ARG A 23 7.417 -1.513 -5.586 1.00 0.52 C ATOM 336 C ARG A 23 7.180 -2.775 -4.752 1.00 0.50 C ATOM 337 O ARG A 23 7.092 -3.870 -5.299 1.00 0.53 O ATOM 338 CB ARG A 23 8.831 -0.971 -5.330 1.00 0.55 C ATOM 339 CG ARG A 23 9.923 -1.966 -5.756 1.00 0.97 C ATOM 340 CD ARG A 23 11.271 -1.654 -5.088 1.00 1.90 C ATOM 341 NE ARG A 23 12.358 -1.533 -6.072 1.00 1.81 N ATOM 342 CZ ARG A 23 12.599 -0.441 -6.814 1.00 2.13 C ATOM 343 NH1 ARG A 23 11.789 0.618 -6.715 1.00 2.79 N ATOM 344 NH2 ARG A 23 13.644 -0.415 -7.650 1.00 2.82 N ATOM 0 H ARG A 23 6.843 0.385 -4.925 1.00 0.53 H new ATOM 0 HA ARG A 23 7.315 -1.771 -6.640 1.00 0.52 H new ATOM 0 HB2 ARG A 23 8.963 -0.035 -5.873 1.00 0.55 H new ATOM 0 HB3 ARG A 23 8.944 -0.743 -4.270 1.00 0.55 H new ATOM 0 HG2 ARG A 23 9.614 -2.978 -5.496 1.00 0.97 H new ATOM 0 HG3 ARG A 23 10.039 -1.937 -6.839 1.00 0.97 H new ATOM 0 HD2 ARG A 23 11.189 -0.726 -4.522 1.00 1.90 H new ATOM 0 HD3 ARG A 23 11.513 -2.442 -4.375 1.00 1.90 H new ATOM 0 HE ARG A 23 12.973 -2.337 -6.199 1.00 1.81 H new ATOM 0 HH11 ARG A 23 10.993 0.593 -6.078 1.00 2.79 H new ATOM 0 HH12 ARG A 23 11.967 1.451 -7.276 1.00 2.79 H new ATOM 0 HH21 ARG A 23 14.258 -1.226 -7.724 1.00 2.82 H new ATOM 0 HH22 ARG A 23 13.826 0.416 -8.213 1.00 2.82 H new ATOM 358 N ASN A 24 7.107 -2.634 -3.426 1.00 0.48 N ATOM 359 CA ASN A 24 6.876 -3.765 -2.536 1.00 0.47 C ATOM 360 C ASN A 24 5.628 -4.516 -2.984 1.00 0.49 C ATOM 361 O ASN A 24 5.636 -5.737 -3.074 1.00 0.51 O ATOM 362 CB ASN A 24 6.683 -3.311 -1.085 1.00 0.51 C ATOM 363 CG ASN A 24 7.964 -2.964 -0.335 1.00 0.56 C ATOM 364 OD1 ASN A 24 7.806 -2.577 0.928 1.00 1.33 O flip ATOM 365 ND2 ASN A 24 9.075 -3.074 -0.844 1.00 1.06 N flip ATOM 0 H ASN A 24 7.206 -1.739 -2.946 1.00 0.48 H new ATOM 0 HA ASN A 24 7.753 -4.411 -2.583 1.00 0.47 H new ATOM 0 HB2 ASN A 24 6.030 -2.438 -1.079 1.00 0.51 H new ATOM 0 HB3 ASN A 24 6.165 -4.101 -0.540 1.00 0.51 H new ATOM 0 HD21 ASN A 24 9.164 -3.373 -1.815 1.00 1.06 H new ATOM 0 HD22 ASN A 24 9.910 -2.866 -0.296 1.00 1.06 H new ATOM 372 N VAL A 25 4.552 -3.781 -3.266 1.00 0.50 N ATOM 373 CA VAL A 25 3.316 -4.359 -3.765 1.00 0.50 C ATOM 374 C VAL A 25 3.568 -5.097 -5.083 1.00 0.51 C ATOM 375 O VAL A 25 3.216 -6.264 -5.201 1.00 0.52 O ATOM 376 CB VAL A 25 2.219 -3.285 -3.852 1.00 0.52 C ATOM 377 CG1 VAL A 25 0.897 -3.903 -4.313 1.00 0.54 C ATOM 378 CG2 VAL A 25 1.953 -2.676 -2.473 1.00 0.55 C ATOM 0 H VAL A 25 4.519 -2.768 -3.153 1.00 0.50 H new ATOM 0 HA VAL A 25 2.948 -5.109 -3.065 1.00 0.50 H new ATOM 0 HB VAL A 25 2.567 -2.529 -4.556 1.00 0.52 H new ATOM 0 HG11 VAL A 25 0.133 -3.128 -4.369 1.00 0.54 H new ATOM 0 HG12 VAL A 25 1.029 -4.353 -5.297 1.00 0.54 H new ATOM 0 HG13 VAL A 25 0.586 -4.669 -3.602 1.00 0.54 H new ATOM 0 HG21 VAL A 25 1.174 -1.918 -2.554 1.00 0.55 H new ATOM 0 HG22 VAL A 25 1.628 -3.458 -1.786 1.00 0.55 H new ATOM 0 HG23 VAL A 25 2.867 -2.218 -2.095 1.00 0.55 H new ATOM 388 N LYS A 26 4.210 -4.457 -6.060 1.00 0.55 N ATOM 389 CA LYS A 26 4.624 -5.081 -7.308 1.00 0.60 C ATOM 390 C LYS A 26 5.404 -6.389 -7.080 1.00 0.59 C ATOM 391 O LYS A 26 5.198 -7.346 -7.822 1.00 0.65 O ATOM 392 CB LYS A 26 5.413 -4.039 -8.111 1.00 0.67 C ATOM 393 CG LYS A 26 4.479 -3.106 -8.888 1.00 0.75 C ATOM 394 CD LYS A 26 5.235 -1.812 -9.194 1.00 0.98 C ATOM 395 CE LYS A 26 4.492 -0.937 -10.213 1.00 0.98 C ATOM 396 NZ LYS A 26 5.137 0.386 -10.356 1.00 1.87 N ATOM 0 H LYS A 26 4.460 -3.470 -6.001 1.00 0.55 H new ATOM 0 HA LYS A 26 3.749 -5.388 -7.881 1.00 0.60 H new ATOM 0 HB2 LYS A 26 6.036 -3.452 -7.436 1.00 0.67 H new ATOM 0 HB3 LYS A 26 6.084 -4.545 -8.805 1.00 0.67 H new ATOM 0 HG2 LYS A 26 4.151 -3.581 -9.812 1.00 0.75 H new ATOM 0 HG3 LYS A 26 3.584 -2.893 -8.304 1.00 0.75 H new ATOM 0 HD2 LYS A 26 5.379 -1.250 -8.271 1.00 0.98 H new ATOM 0 HD3 LYS A 26 6.226 -2.054 -9.578 1.00 0.98 H new ATOM 0 HE2 LYS A 26 4.470 -1.440 -11.180 1.00 0.98 H new ATOM 0 HE3 LYS A 26 3.457 -0.807 -9.898 1.00 0.98 H new ATOM 0 HZ1 LYS A 26 4.407 1.118 -10.469 1.00 1.87 H new ATOM 0 HZ2 LYS A 26 5.703 0.590 -9.508 1.00 1.87 H new ATOM 0 HZ3 LYS A 26 5.756 0.382 -11.192 1.00 1.87 H new ATOM 410 N GLU A 27 6.265 -6.460 -6.058 1.00 0.55 N ATOM 411 CA GLU A 27 6.976 -7.691 -5.699 1.00 0.58 C ATOM 412 C GLU A 27 6.045 -8.815 -5.197 1.00 0.56 C ATOM 413 O GLU A 27 6.495 -9.949 -5.061 1.00 0.67 O ATOM 414 CB GLU A 27 8.073 -7.389 -4.661 1.00 0.63 C ATOM 415 CG GLU A 27 9.228 -6.534 -5.229 1.00 0.76 C ATOM 416 CD GLU A 27 10.564 -7.264 -5.379 1.00 1.72 C ATOM 417 OE1 GLU A 27 10.579 -8.511 -5.300 1.00 3.01 O ATOM 418 OE2 GLU A 27 11.565 -6.540 -5.569 1.00 1.95 O ATOM 0 H GLU A 27 6.488 -5.666 -5.458 1.00 0.55 H new ATOM 0 HA GLU A 27 7.433 -8.065 -6.616 1.00 0.58 H new ATOM 0 HB2 GLU A 27 7.628 -6.870 -3.812 1.00 0.63 H new ATOM 0 HB3 GLU A 27 8.476 -8.329 -4.284 1.00 0.63 H new ATOM 0 HG2 GLU A 27 8.930 -6.151 -6.205 1.00 0.76 H new ATOM 0 HG3 GLU A 27 9.374 -5.671 -4.579 1.00 0.76 H new ATOM 425 N ILE A 28 4.771 -8.548 -4.884 1.00 0.52 N ATOM 426 CA ILE A 28 3.840 -9.582 -4.439 1.00 0.51 C ATOM 427 C ILE A 28 3.186 -10.259 -5.650 1.00 0.50 C ATOM 428 O ILE A 28 2.321 -9.692 -6.317 1.00 0.75 O ATOM 429 CB ILE A 28 2.726 -9.022 -3.544 1.00 0.49 C ATOM 430 CG1 ILE A 28 3.168 -8.074 -2.422 1.00 0.44 C ATOM 431 CG2 ILE A 28 1.892 -10.166 -2.942 1.00 0.57 C ATOM 432 CD1 ILE A 28 1.949 -7.341 -1.850 1.00 1.36 C ATOM 0 H ILE A 28 4.363 -7.615 -4.933 1.00 0.52 H new ATOM 0 HA ILE A 28 4.424 -10.298 -3.860 1.00 0.51 H new ATOM 0 HB ILE A 28 2.134 -8.406 -4.221 1.00 0.49 H new ATOM 0 HG12 ILE A 28 3.668 -8.637 -1.634 1.00 0.44 H new ATOM 0 HG13 ILE A 28 3.890 -7.353 -2.806 1.00 0.44 H new ATOM 0 HG21 ILE A 28 1.107 -9.750 -2.310 1.00 0.57 H new ATOM 0 HG22 ILE A 28 1.441 -10.749 -3.745 1.00 0.57 H new ATOM 0 HG23 ILE A 28 2.536 -10.810 -2.344 1.00 0.57 H new ATOM 0 HD11 ILE A 28 2.269 -6.669 -1.054 1.00 1.36 H new ATOM 0 HD12 ILE A 28 1.468 -6.764 -2.640 1.00 1.36 H new ATOM 0 HD13 ILE A 28 1.242 -8.068 -1.449 1.00 1.36 H new ATOM 444 N GLU A 29 3.497 -11.536 -5.843 1.00 0.49 N ATOM 445 CA GLU A 29 2.950 -12.400 -6.882 1.00 0.54 C ATOM 446 C GLU A 29 1.416 -12.444 -6.914 1.00 0.70 C ATOM 447 O GLU A 29 0.818 -12.758 -7.938 1.00 1.87 O ATOM 448 CB GLU A 29 3.537 -13.810 -6.701 1.00 0.70 C ATOM 449 CG GLU A 29 4.648 -14.113 -7.712 1.00 1.09 C ATOM 450 CD GLU A 29 5.883 -13.260 -7.472 1.00 1.71 C ATOM 451 OE1 GLU A 29 6.434 -13.392 -6.359 1.00 2.83 O ATOM 452 OE2 GLU A 29 6.247 -12.511 -8.404 1.00 3.36 O ATOM 0 H GLU A 29 4.171 -12.020 -5.250 1.00 0.49 H new ATOM 0 HA GLU A 29 3.239 -11.980 -7.846 1.00 0.54 H new ATOM 0 HB2 GLU A 29 3.932 -13.909 -5.690 1.00 0.70 H new ATOM 0 HB3 GLU A 29 2.742 -14.548 -6.806 1.00 0.70 H new ATOM 0 HG2 GLU A 29 4.918 -15.167 -7.650 1.00 1.09 H new ATOM 0 HG3 GLU A 29 4.277 -13.938 -8.722 1.00 1.09 H new ATOM 459 N GLY A 30 0.783 -12.167 -5.777 1.00 0.72 N ATOM 460 CA GLY A 30 -0.665 -12.174 -5.632 1.00 0.74 C ATOM 461 C GLY A 30 -1.329 -10.992 -6.340 1.00 0.64 C ATOM 462 O GLY A 30 -2.479 -11.082 -6.763 1.00 0.80 O ATOM 0 H GLY A 30 1.274 -11.927 -4.916 1.00 0.72 H new ATOM 0 HA2 GLY A 30 -1.063 -13.105 -6.035 1.00 0.74 H new ATOM 0 HA3 GLY A 30 -0.921 -12.150 -4.573 1.00 0.74 H new ATOM 466 N VAL A 31 -0.647 -9.847 -6.424 1.00 0.49 N ATOM 467 CA VAL A 31 -1.254 -8.622 -6.913 1.00 0.45 C ATOM 468 C VAL A 31 -1.023 -8.489 -8.424 1.00 0.40 C ATOM 469 O VAL A 31 -0.545 -9.411 -9.082 1.00 0.80 O ATOM 470 CB VAL A 31 -0.717 -7.470 -6.048 1.00 0.55 C ATOM 471 CG1 VAL A 31 0.525 -6.797 -6.619 1.00 0.61 C ATOM 472 CG2 VAL A 31 -1.762 -6.399 -5.761 1.00 0.77 C ATOM 0 H VAL A 31 0.332 -9.750 -6.156 1.00 0.49 H new ATOM 0 HA VAL A 31 -2.339 -8.613 -6.812 1.00 0.45 H new ATOM 0 HB VAL A 31 -0.443 -7.962 -5.115 1.00 0.55 H new ATOM 0 HG11 VAL A 31 0.843 -5.995 -5.953 1.00 0.61 H new ATOM 0 HG12 VAL A 31 1.326 -7.531 -6.712 1.00 0.61 H new ATOM 0 HG13 VAL A 31 0.296 -6.383 -7.601 1.00 0.61 H new ATOM 0 HG21 VAL A 31 -1.320 -5.615 -5.146 1.00 0.77 H new ATOM 0 HG22 VAL A 31 -2.111 -5.970 -6.700 1.00 0.77 H new ATOM 0 HG23 VAL A 31 -2.603 -6.845 -5.230 1.00 0.77 H new ATOM 482 N THR A 32 -1.391 -7.351 -9.012 1.00 0.60 N ATOM 483 CA THR A 32 -1.065 -7.036 -10.393 1.00 0.66 C ATOM 484 C THR A 32 -0.706 -5.561 -10.488 1.00 0.66 C ATOM 485 O THR A 32 0.416 -5.245 -10.881 1.00 0.72 O ATOM 486 CB THR A 32 -2.213 -7.447 -11.319 1.00 0.69 C ATOM 487 OG1 THR A 32 -2.481 -8.823 -11.126 1.00 0.74 O ATOM 488 CG2 THR A 32 -1.867 -7.202 -12.789 1.00 0.79 C ATOM 0 H THR A 32 -1.925 -6.623 -8.538 1.00 0.60 H new ATOM 0 HA THR A 32 -0.197 -7.606 -10.726 1.00 0.66 H new ATOM 0 HB THR A 32 -3.087 -6.843 -11.075 1.00 0.69 H new ATOM 0 HG1 THR A 32 -3.216 -9.099 -11.713 1.00 0.74 H new ATOM 0 HG21 THR A 32 -2.706 -7.506 -13.416 1.00 0.79 H new ATOM 0 HG22 THR A 32 -1.664 -6.142 -12.943 1.00 0.79 H new ATOM 0 HG23 THR A 32 -0.985 -7.783 -13.057 1.00 0.79 H new ATOM 496 N GLU A 33 -1.621 -4.672 -10.086 1.00 0.64 N ATOM 497 CA GLU A 33 -1.264 -3.252 -9.974 1.00 0.72 C ATOM 498 C GLU A 33 -1.643 -2.691 -8.611 1.00 0.60 C ATOM 499 O GLU A 33 -2.505 -3.238 -7.933 1.00 0.69 O ATOM 500 CB GLU A 33 -1.875 -2.424 -11.112 1.00 0.93 C ATOM 501 CG GLU A 33 -1.265 -2.798 -12.469 1.00 1.08 C ATOM 502 CD GLU A 33 -1.363 -1.637 -13.449 1.00 1.31 C ATOM 503 OE1 GLU A 33 -2.511 -1.247 -13.746 1.00 1.44 O ATOM 504 OE2 GLU A 33 -0.288 -1.142 -13.853 1.00 2.67 O ATOM 0 H GLU A 33 -2.584 -4.899 -9.840 1.00 0.64 H new ATOM 0 HA GLU A 33 -0.180 -3.181 -10.068 1.00 0.72 H new ATOM 0 HB2 GLU A 33 -2.953 -2.582 -11.140 1.00 0.93 H new ATOM 0 HB3 GLU A 33 -1.714 -1.363 -10.919 1.00 0.93 H new ATOM 0 HG2 GLU A 33 -0.220 -3.080 -12.337 1.00 1.08 H new ATOM 0 HG3 GLU A 33 -1.781 -3.667 -12.877 1.00 1.08 H new ATOM 511 N ALA A 34 -1.008 -1.597 -8.190 1.00 0.55 N ATOM 512 CA ALA A 34 -1.408 -0.892 -6.985 1.00 0.47 C ATOM 513 C ALA A 34 -0.973 0.561 -7.087 1.00 0.57 C ATOM 514 O ALA A 34 0.020 0.844 -7.754 1.00 0.54 O ATOM 515 CB ALA A 34 -0.782 -1.570 -5.770 1.00 0.54 C ATOM 0 H ALA A 34 -0.211 -1.183 -8.673 1.00 0.55 H new ATOM 0 HA ALA A 34 -2.492 -0.921 -6.873 1.00 0.47 H new ATOM 0 HB1 ALA A 34 -1.081 -1.042 -4.864 1.00 0.54 H new ATOM 0 HB2 ALA A 34 -1.121 -2.605 -5.716 1.00 0.54 H new ATOM 0 HB3 ALA A 34 0.304 -1.548 -5.861 1.00 0.54 H new ATOM 521 N ILE A 35 -1.726 1.472 -6.460 1.00 0.74 N ATOM 522 CA ILE A 35 -1.448 2.906 -6.525 1.00 0.90 C ATOM 523 C ILE A 35 -1.462 3.429 -5.094 1.00 0.88 C ATOM 524 O ILE A 35 -2.397 3.126 -4.361 1.00 1.05 O ATOM 525 CB ILE A 35 -2.496 3.622 -7.400 1.00 1.01 C ATOM 526 CG1 ILE A 35 -2.554 3.043 -8.827 1.00 1.08 C ATOM 527 CG2 ILE A 35 -2.183 5.127 -7.465 1.00 1.18 C ATOM 528 CD1 ILE A 35 -3.886 3.353 -9.517 1.00 1.61 C ATOM 0 H ILE A 35 -2.542 1.234 -5.896 1.00 0.74 H new ATOM 0 HA ILE A 35 -0.478 3.097 -6.984 1.00 0.90 H new ATOM 0 HB ILE A 35 -3.470 3.463 -6.938 1.00 1.01 H new ATOM 0 HG12 ILE A 35 -1.735 3.453 -9.418 1.00 1.08 H new ATOM 0 HG13 ILE A 35 -2.409 1.963 -8.787 1.00 1.08 H new ATOM 0 HG21 ILE A 35 -2.927 5.627 -8.085 1.00 1.18 H new ATOM 0 HG22 ILE A 35 -2.207 5.547 -6.460 1.00 1.18 H new ATOM 0 HG23 ILE A 35 -1.193 5.274 -7.897 1.00 1.18 H new ATOM 0 HD11 ILE A 35 -3.884 2.927 -10.520 1.00 1.61 H new ATOM 0 HD12 ILE A 35 -4.704 2.920 -8.941 1.00 1.61 H new ATOM 0 HD13 ILE A 35 -4.019 4.433 -9.582 1.00 1.61 H new ATOM 540 N VAL A 36 -0.443 4.192 -4.691 1.00 0.93 N ATOM 541 CA VAL A 36 -0.273 4.687 -3.331 1.00 0.93 C ATOM 542 C VAL A 36 -0.290 6.214 -3.333 1.00 0.97 C ATOM 543 O VAL A 36 0.656 6.845 -3.795 1.00 1.34 O ATOM 544 CB VAL A 36 1.014 4.102 -2.720 1.00 0.97 C ATOM 545 CG1 VAL A 36 2.258 4.265 -3.603 1.00 2.32 C ATOM 546 CG2 VAL A 36 1.285 4.693 -1.330 1.00 2.24 C ATOM 0 H VAL A 36 0.303 4.488 -5.321 1.00 0.93 H new ATOM 0 HA VAL A 36 -1.101 4.359 -2.702 1.00 0.93 H new ATOM 0 HB VAL A 36 0.827 3.031 -2.638 1.00 0.97 H new ATOM 0 HG11 VAL A 36 3.121 3.827 -3.101 1.00 2.32 H new ATOM 0 HG12 VAL A 36 2.097 3.759 -4.555 1.00 2.32 H new ATOM 0 HG13 VAL A 36 2.441 5.325 -3.781 1.00 2.32 H new ATOM 0 HG21 VAL A 36 2.200 4.262 -0.923 1.00 2.24 H new ATOM 0 HG22 VAL A 36 1.398 5.774 -1.410 1.00 2.24 H new ATOM 0 HG23 VAL A 36 0.450 4.464 -0.668 1.00 2.24 H new ATOM 556 N ASN A 37 -1.350 6.816 -2.788 1.00 0.72 N ATOM 557 CA ASN A 37 -1.402 8.254 -2.572 1.00 0.80 C ATOM 558 C ASN A 37 -1.110 8.510 -1.098 1.00 1.03 C ATOM 559 O ASN A 37 -2.024 8.748 -0.308 1.00 2.12 O ATOM 560 CB ASN A 37 -2.757 8.819 -3.014 1.00 0.77 C ATOM 561 CG ASN A 37 -2.965 8.675 -4.519 1.00 0.94 C ATOM 562 OD1 ASN A 37 -2.105 9.041 -5.313 1.00 1.72 O ATOM 563 ND2 ASN A 37 -4.109 8.140 -4.936 1.00 1.60 N ATOM 0 H ASN A 37 -2.189 6.319 -2.488 1.00 0.72 H new ATOM 0 HA ASN A 37 -0.654 8.768 -3.176 1.00 0.80 H new ATOM 0 HB2 ASN A 37 -3.557 8.301 -2.485 1.00 0.77 H new ATOM 0 HB3 ASN A 37 -2.820 9.871 -2.737 1.00 0.77 H new ATOM 0 HD21 ASN A 37 -4.285 8.027 -5.934 1.00 1.60 H new ATOM 0 HD22 ASN A 37 -4.810 7.843 -4.258 1.00 1.60 H new ATOM 570 N PHE A 38 0.171 8.442 -0.728 1.00 1.12 N ATOM 571 CA PHE A 38 0.621 8.887 0.584 1.00 1.24 C ATOM 572 C PHE A 38 0.486 10.404 0.708 1.00 1.33 C ATOM 573 O PHE A 38 0.233 11.100 -0.272 1.00 2.01 O ATOM 574 CB PHE A 38 2.073 8.463 0.840 1.00 1.55 C ATOM 575 CG PHE A 38 2.267 7.026 1.277 1.00 1.53 C ATOM 576 CD1 PHE A 38 1.575 6.526 2.396 1.00 2.50 C ATOM 577 CD2 PHE A 38 3.359 6.305 0.767 1.00 2.24 C ATOM 578 CE1 PHE A 38 1.937 5.287 2.950 1.00 2.71 C ATOM 579 CE2 PHE A 38 3.682 5.042 1.288 1.00 2.51 C ATOM 580 CZ PHE A 38 2.952 4.520 2.363 1.00 2.16 C ATOM 0 H PHE A 38 0.915 8.080 -1.325 1.00 1.12 H new ATOM 0 HA PHE A 38 -0.011 8.414 1.335 1.00 1.24 H new ATOM 0 HB2 PHE A 38 2.647 8.627 -0.072 1.00 1.55 H new ATOM 0 HB3 PHE A 38 2.494 9.116 1.604 1.00 1.55 H new ATOM 0 HD1 PHE A 38 0.766 7.095 2.829 1.00 2.50 H new ATOM 0 HD2 PHE A 38 3.954 6.725 -0.031 1.00 2.24 H new ATOM 0 HE1 PHE A 38 1.431 4.924 3.832 1.00 2.71 H new ATOM 0 HE2 PHE A 38 4.494 4.473 0.860 1.00 2.51 H new ATOM 0 HZ PHE A 38 3.170 3.531 2.738 1.00 2.16 H new ATOM 590 N GLY A 39 0.657 10.904 1.933 1.00 1.76 N ATOM 591 CA GLY A 39 0.444 12.297 2.282 1.00 1.90 C ATOM 592 C GLY A 39 -0.750 12.346 3.219 1.00 1.92 C ATOM 593 O GLY A 39 -0.593 12.547 4.419 1.00 2.72 O ATOM 0 H GLY A 39 0.955 10.333 2.724 1.00 1.76 H new ATOM 0 HA2 GLY A 39 1.329 12.713 2.764 1.00 1.90 H new ATOM 0 HA3 GLY A 39 0.257 12.893 1.389 1.00 1.90 H new ATOM 597 N ALA A 40 -1.937 12.101 2.660 1.00 1.54 N ATOM 598 CA ALA A 40 -3.190 12.034 3.396 1.00 1.37 C ATOM 599 C ALA A 40 -4.277 11.507 2.461 1.00 0.96 C ATOM 600 O ALA A 40 -5.174 12.253 2.074 1.00 1.73 O ATOM 601 CB ALA A 40 -3.558 13.422 3.941 1.00 2.18 C ATOM 0 H ALA A 40 -2.050 11.941 1.659 1.00 1.54 H new ATOM 0 HA ALA A 40 -3.090 11.360 4.247 1.00 1.37 H new ATOM 0 HB1 ALA A 40 -4.498 13.360 4.490 1.00 2.18 H new ATOM 0 HB2 ALA A 40 -2.770 13.771 4.608 1.00 2.18 H new ATOM 0 HB3 ALA A 40 -3.668 14.121 3.112 1.00 2.18 H new ATOM 607 N SER A 41 -4.183 10.239 2.044 1.00 0.60 N ATOM 608 CA SER A 41 -5.200 9.638 1.186 1.00 1.07 C ATOM 609 C SER A 41 -5.295 8.119 1.365 1.00 0.57 C ATOM 610 O SER A 41 -5.813 7.646 2.374 1.00 0.52 O ATOM 611 CB SER A 41 -5.027 10.101 -0.274 1.00 2.09 C ATOM 612 OG SER A 41 -5.595 11.379 -0.475 1.00 2.64 O ATOM 0 H SER A 41 -3.414 9.614 2.288 1.00 0.60 H new ATOM 0 HA SER A 41 -6.177 10.003 1.503 1.00 1.07 H new ATOM 0 HB2 SER A 41 -3.967 10.127 -0.527 1.00 2.09 H new ATOM 0 HB3 SER A 41 -5.497 9.382 -0.945 1.00 2.09 H new ATOM 0 HG SER A 41 -5.564 11.886 0.363 1.00 2.64 H new ATOM 618 N LYS A 42 -4.928 7.351 0.337 1.00 0.49 N ATOM 619 CA LYS A 42 -5.376 5.975 0.188 1.00 0.30 C ATOM 620 C LYS A 42 -4.428 5.189 -0.710 1.00 0.30 C ATOM 621 O LYS A 42 -3.668 5.781 -1.481 1.00 0.52 O ATOM 622 CB LYS A 42 -6.840 5.952 -0.288 1.00 0.65 C ATOM 623 CG LYS A 42 -7.085 6.604 -1.660 1.00 1.01 C ATOM 624 CD LYS A 42 -8.465 7.284 -1.722 1.00 1.68 C ATOM 625 CE LYS A 42 -9.621 6.291 -1.494 1.00 2.84 C ATOM 626 NZ LYS A 42 -10.938 6.952 -1.383 1.00 3.76 N ATOM 0 H LYS A 42 -4.313 7.670 -0.412 1.00 0.49 H new ATOM 0 HA LYS A 42 -5.351 5.471 1.154 1.00 0.30 H new ATOM 0 HB2 LYS A 42 -7.177 4.916 -0.329 1.00 0.65 H new ATOM 0 HB3 LYS A 42 -7.456 6.459 0.454 1.00 0.65 H new ATOM 0 HG2 LYS A 42 -6.306 7.340 -1.859 1.00 1.01 H new ATOM 0 HG3 LYS A 42 -7.015 5.847 -2.441 1.00 1.01 H new ATOM 0 HD2 LYS A 42 -8.513 8.072 -0.970 1.00 1.68 H new ATOM 0 HD3 LYS A 42 -8.588 7.763 -2.693 1.00 1.68 H new ATOM 0 HE2 LYS A 42 -9.647 5.578 -2.318 1.00 2.84 H new ATOM 0 HE3 LYS A 42 -9.429 5.721 -0.585 1.00 2.84 H new ATOM 0 HZ1 LYS A 42 -11.675 6.234 -1.231 1.00 3.76 H new ATOM 0 HZ2 LYS A 42 -10.928 7.614 -0.581 1.00 3.76 H new ATOM 0 HZ3 LYS A 42 -11.139 7.474 -2.260 1.00 3.76 H new ATOM 640 N ILE A 43 -4.482 3.859 -0.597 1.00 0.24 N ATOM 641 CA ILE A 43 -3.685 2.918 -1.369 1.00 0.25 C ATOM 642 C ILE A 43 -4.660 1.945 -2.041 1.00 0.24 C ATOM 643 O ILE A 43 -5.415 1.241 -1.365 1.00 0.24 O ATOM 644 CB ILE A 43 -2.588 2.290 -0.475 1.00 0.31 C ATOM 645 CG1 ILE A 43 -1.589 1.322 -1.158 1.00 0.45 C ATOM 646 CG2 ILE A 43 -3.160 1.681 0.809 1.00 0.32 C ATOM 647 CD1 ILE A 43 -2.159 -0.015 -1.617 1.00 0.81 C ATOM 0 H ILE A 43 -5.108 3.396 0.062 1.00 0.24 H new ATOM 0 HA ILE A 43 -3.116 3.389 -2.170 1.00 0.25 H new ATOM 0 HB ILE A 43 -1.975 3.155 -0.223 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.159 1.827 -2.023 1.00 0.45 H new ATOM 0 HG13 ILE A 43 -0.772 1.126 -0.464 1.00 0.45 H new ATOM 0 HG21 ILE A 43 -2.351 1.254 1.401 1.00 0.32 H new ATOM 0 HG22 ILE A 43 -3.662 2.457 1.387 1.00 0.32 H new ATOM 0 HG23 ILE A 43 -3.875 0.899 0.554 1.00 0.32 H new ATOM 0 HD11 ILE A 43 -1.370 -0.608 -2.079 1.00 0.81 H new ATOM 0 HD12 ILE A 43 -2.561 -0.553 -0.759 1.00 0.81 H new ATOM 0 HD13 ILE A 43 -2.954 0.158 -2.342 1.00 0.81 H new ATOM 659 N THR A 44 -4.699 1.970 -3.378 1.00 0.28 N ATOM 660 CA THR A 44 -5.461 1.053 -4.216 1.00 0.30 C ATOM 661 C THR A 44 -4.584 -0.132 -4.562 1.00 0.32 C ATOM 662 O THR A 44 -3.391 0.020 -4.798 1.00 0.36 O ATOM 663 CB THR A 44 -5.955 1.758 -5.488 1.00 0.39 C ATOM 664 OG1 THR A 44 -6.712 2.861 -5.077 1.00 0.46 O ATOM 665 CG2 THR A 44 -6.811 0.869 -6.396 1.00 0.44 C ATOM 0 H THR A 44 -4.179 2.658 -3.922 1.00 0.28 H new ATOM 0 HA THR A 44 -6.341 0.708 -3.673 1.00 0.30 H new ATOM 0 HB THR A 44 -5.084 2.039 -6.080 1.00 0.39 H new ATOM 0 HG1 THR A 44 -7.045 3.341 -5.864 1.00 0.46 H new ATOM 0 HG21 THR A 44 -7.122 1.437 -7.273 1.00 0.44 H new ATOM 0 HG22 THR A 44 -6.228 0.004 -6.712 1.00 0.44 H new ATOM 0 HG23 THR A 44 -7.693 0.533 -5.850 1.00 0.44 H new ATOM 673 N VAL A 45 -5.192 -1.306 -4.586 1.00 0.34 N ATOM 674 CA VAL A 45 -4.581 -2.584 -4.849 1.00 0.38 C ATOM 675 C VAL A 45 -5.460 -3.216 -5.923 1.00 0.41 C ATOM 676 O VAL A 45 -6.682 -3.049 -5.911 1.00 0.44 O ATOM 677 CB VAL A 45 -4.628 -3.385 -3.543 1.00 0.43 C ATOM 678 CG1 VAL A 45 -4.118 -4.819 -3.701 1.00 0.71 C ATOM 679 CG2 VAL A 45 -3.842 -2.709 -2.415 1.00 1.01 C ATOM 0 H VAL A 45 -6.193 -1.389 -4.409 1.00 0.34 H new ATOM 0 HA VAL A 45 -3.544 -2.534 -5.181 1.00 0.38 H new ATOM 0 HB VAL A 45 -5.685 -3.417 -3.279 1.00 0.43 H new ATOM 0 HG11 VAL A 45 -4.177 -5.334 -2.742 1.00 0.71 H new ATOM 0 HG12 VAL A 45 -4.731 -5.345 -4.433 1.00 0.71 H new ATOM 0 HG13 VAL A 45 -3.082 -4.802 -4.041 1.00 0.71 H new ATOM 0 HG21 VAL A 45 -3.907 -3.316 -1.512 1.00 1.01 H new ATOM 0 HG22 VAL A 45 -2.798 -2.607 -2.710 1.00 1.01 H new ATOM 0 HG23 VAL A 45 -4.262 -1.722 -2.220 1.00 1.01 H new ATOM 689 N THR A 46 -4.862 -3.900 -6.891 1.00 0.47 N ATOM 690 CA THR A 46 -5.567 -4.557 -7.966 1.00 0.55 C ATOM 691 C THR A 46 -4.782 -5.785 -8.326 1.00 0.58 C ATOM 692 O THR A 46 -3.566 -5.739 -8.472 1.00 0.88 O ATOM 693 CB THR A 46 -5.720 -3.611 -9.163 1.00 0.65 C ATOM 694 OG1 THR A 46 -6.531 -2.573 -8.695 1.00 0.66 O ATOM 695 CG2 THR A 46 -6.421 -4.259 -10.359 1.00 0.74 C ATOM 0 H THR A 46 -3.849 -4.011 -6.944 1.00 0.47 H new ATOM 0 HA THR A 46 -6.575 -4.838 -7.661 1.00 0.55 H new ATOM 0 HB THR A 46 -4.736 -3.299 -9.513 1.00 0.65 H new ATOM 0 HG1 THR A 46 -6.674 -1.921 -9.412 1.00 0.66 H new ATOM 0 HG21 THR A 46 -6.497 -3.536 -11.171 1.00 0.74 H new ATOM 0 HG22 THR A 46 -5.846 -5.122 -10.694 1.00 0.74 H new ATOM 0 HG23 THR A 46 -7.420 -4.581 -10.065 1.00 0.74 H new ATOM 703 N GLY A 47 -5.477 -6.894 -8.463 1.00 0.52 N ATOM 704 CA GLY A 47 -4.842 -8.102 -8.919 1.00 0.52 C ATOM 705 C GLY A 47 -5.624 -9.265 -8.320 1.00 0.50 C ATOM 706 O GLY A 47 -6.690 -9.616 -8.820 1.00 0.62 O ATOM 0 H GLY A 47 -6.474 -6.980 -8.266 1.00 0.52 H new ATOM 0 HA2 GLY A 47 -4.846 -8.154 -10.008 1.00 0.52 H new ATOM 0 HA3 GLY A 47 -3.799 -8.134 -8.603 1.00 0.52 H new ATOM 710 N GLU A 48 -5.124 -9.777 -7.192 1.00 0.42 N ATOM 711 CA GLU A 48 -5.754 -10.777 -6.337 1.00 0.42 C ATOM 712 C GLU A 48 -5.041 -10.771 -4.972 1.00 0.48 C ATOM 713 O GLU A 48 -4.493 -11.776 -4.531 1.00 0.61 O ATOM 714 CB GLU A 48 -5.733 -12.155 -7.032 1.00 0.44 C ATOM 715 CG GLU A 48 -6.702 -13.181 -6.414 1.00 0.62 C ATOM 716 CD GLU A 48 -6.008 -14.255 -5.578 1.00 2.09 C ATOM 717 OE1 GLU A 48 -5.118 -14.927 -6.145 1.00 3.20 O ATOM 718 OE2 GLU A 48 -6.419 -14.422 -4.409 1.00 3.31 O ATOM 0 H GLU A 48 -4.215 -9.485 -6.833 1.00 0.42 H new ATOM 0 HA GLU A 48 -6.804 -10.542 -6.164 1.00 0.42 H new ATOM 0 HB2 GLU A 48 -5.982 -12.024 -8.085 1.00 0.44 H new ATOM 0 HB3 GLU A 48 -4.720 -12.556 -6.991 1.00 0.44 H new ATOM 0 HG2 GLU A 48 -7.423 -12.655 -5.788 1.00 0.62 H new ATOM 0 HG3 GLU A 48 -7.265 -13.663 -7.213 1.00 0.62 H new ATOM 725 N ALA A 49 -5.009 -9.615 -4.293 1.00 0.44 N ATOM 726 CA ALA A 49 -4.442 -9.514 -2.951 1.00 0.46 C ATOM 727 C ALA A 49 -5.116 -8.408 -2.137 1.00 0.42 C ATOM 728 O ALA A 49 -5.840 -7.579 -2.689 1.00 0.47 O ATOM 729 CB ALA A 49 -2.937 -9.272 -3.050 1.00 0.53 C ATOM 0 H ALA A 49 -5.373 -8.735 -4.659 1.00 0.44 H new ATOM 0 HA ALA A 49 -4.623 -10.453 -2.429 1.00 0.46 H new ATOM 0 HB1 ALA A 49 -2.514 -9.197 -2.048 1.00 0.53 H new ATOM 0 HB2 ALA A 49 -2.469 -10.102 -3.580 1.00 0.53 H new ATOM 0 HB3 ALA A 49 -2.752 -8.345 -3.592 1.00 0.53 H new ATOM 735 N SER A 50 -4.845 -8.395 -0.824 1.00 0.42 N ATOM 736 CA SER A 50 -5.375 -7.435 0.135 1.00 0.46 C ATOM 737 C SER A 50 -4.266 -6.762 0.928 1.00 0.32 C ATOM 738 O SER A 50 -3.129 -7.237 0.971 1.00 0.31 O ATOM 739 CB SER A 50 -6.315 -8.135 1.120 1.00 0.60 C ATOM 740 OG SER A 50 -7.586 -8.307 0.531 1.00 1.05 O ATOM 0 H SER A 50 -4.227 -9.082 -0.392 1.00 0.42 H new ATOM 0 HA SER A 50 -5.914 -6.678 -0.435 1.00 0.46 H new ATOM 0 HB2 SER A 50 -5.902 -9.103 1.405 1.00 0.60 H new ATOM 0 HB3 SER A 50 -6.404 -7.546 2.033 1.00 0.60 H new ATOM 0 HG SER A 50 -7.973 -7.430 0.326 1.00 1.05 H new ATOM 746 N ILE A 51 -4.633 -5.667 1.607 1.00 0.33 N ATOM 747 CA ILE A 51 -3.686 -4.816 2.286 1.00 0.31 C ATOM 748 C ILE A 51 -2.822 -5.558 3.286 1.00 0.34 C ATOM 749 O ILE A 51 -1.705 -5.127 3.486 1.00 0.49 O ATOM 750 CB ILE A 51 -4.358 -3.591 2.918 1.00 0.41 C ATOM 751 CG1 ILE A 51 -3.391 -2.419 2.912 1.00 0.53 C ATOM 752 CG2 ILE A 51 -4.852 -3.836 4.351 1.00 0.56 C ATOM 753 CD1 ILE A 51 -3.205 -1.789 1.528 1.00 1.85 C ATOM 0 H ILE A 51 -5.601 -5.358 1.692 1.00 0.33 H new ATOM 0 HA ILE A 51 -3.010 -4.454 1.511 1.00 0.31 H new ATOM 0 HB ILE A 51 -5.238 -3.372 2.313 1.00 0.41 H new ATOM 0 HG12 ILE A 51 -3.751 -1.658 3.604 1.00 0.53 H new ATOM 0 HG13 ILE A 51 -2.423 -2.755 3.283 1.00 0.53 H new ATOM 0 HG21 ILE A 51 -5.316 -2.928 4.736 1.00 0.56 H new ATOM 0 HG22 ILE A 51 -5.582 -4.645 4.351 1.00 0.56 H new ATOM 0 HG23 ILE A 51 -4.008 -4.109 4.985 1.00 0.56 H new ATOM 0 HD11 ILE A 51 -2.502 -0.959 1.598 1.00 1.85 H new ATOM 0 HD12 ILE A 51 -2.816 -2.537 0.837 1.00 1.85 H new ATOM 0 HD13 ILE A 51 -4.164 -1.422 1.163 1.00 1.85 H new ATOM 765 N GLN A 52 -3.298 -6.648 3.894 1.00 0.33 N ATOM 766 CA GLN A 52 -2.494 -7.502 4.770 1.00 0.37 C ATOM 767 C GLN A 52 -1.043 -7.604 4.278 1.00 0.35 C ATOM 768 O GLN A 52 -0.097 -7.353 5.025 1.00 0.39 O ATOM 769 CB GLN A 52 -3.128 -8.901 4.816 1.00 0.41 C ATOM 770 CG GLN A 52 -4.509 -8.954 5.486 1.00 0.54 C ATOM 771 CD GLN A 52 -4.414 -8.960 7.009 1.00 1.54 C ATOM 772 OE1 GLN A 52 -4.497 -10.012 7.631 1.00 2.20 O ATOM 773 NE2 GLN A 52 -4.247 -7.795 7.626 1.00 2.46 N ATOM 0 H GLN A 52 -4.262 -6.965 3.790 1.00 0.33 H new ATOM 0 HA GLN A 52 -2.475 -7.061 5.767 1.00 0.37 H new ATOM 0 HB2 GLN A 52 -3.218 -9.279 3.798 1.00 0.41 H new ATOM 0 HB3 GLN A 52 -2.455 -9.574 5.347 1.00 0.41 H new ATOM 0 HG2 GLN A 52 -5.100 -8.096 5.164 1.00 0.54 H new ATOM 0 HG3 GLN A 52 -5.038 -9.847 5.154 1.00 0.54 H new ATOM 0 HE21 GLN A 52 -4.181 -6.935 7.082 1.00 2.46 H new ATOM 0 HE22 GLN A 52 -4.185 -7.761 8.644 1.00 2.46 H new ATOM 782 N GLN A 53 -0.871 -7.932 2.996 1.00 0.34 N ATOM 783 CA GLN A 53 0.467 -8.078 2.436 1.00 0.37 C ATOM 784 C GLN A 53 1.196 -6.726 2.339 1.00 0.31 C ATOM 785 O GLN A 53 2.385 -6.618 2.638 1.00 0.32 O ATOM 786 CB GLN A 53 0.376 -8.777 1.078 1.00 0.44 C ATOM 787 CG GLN A 53 -0.241 -10.177 1.216 1.00 0.60 C ATOM 788 CD GLN A 53 -0.250 -10.918 -0.116 1.00 0.85 C ATOM 789 OE1 GLN A 53 -0.657 -10.369 -1.130 1.00 2.39 O ATOM 790 NE2 GLN A 53 0.193 -12.172 -0.138 1.00 1.13 N ATOM 0 H GLN A 53 -1.631 -8.099 2.337 1.00 0.34 H new ATOM 0 HA GLN A 53 1.064 -8.696 3.107 1.00 0.37 H new ATOM 0 HB2 GLN A 53 -0.226 -8.177 0.396 1.00 0.44 H new ATOM 0 HB3 GLN A 53 1.371 -8.856 0.639 1.00 0.44 H new ATOM 0 HG2 GLN A 53 0.322 -10.753 1.950 1.00 0.60 H new ATOM 0 HG3 GLN A 53 -1.260 -10.091 1.592 1.00 0.60 H new ATOM 0 HE21 GLN A 53 0.528 -12.610 0.720 1.00 1.13 H new ATOM 0 HE22 GLN A 53 0.198 -12.696 -1.013 1.00 1.13 H new ATOM 799 N VAL A 54 0.482 -5.680 1.924 1.00 0.29 N ATOM 800 CA VAL A 54 1.050 -4.345 1.774 1.00 0.23 C ATOM 801 C VAL A 54 1.474 -3.793 3.140 1.00 0.26 C ATOM 802 O VAL A 54 2.505 -3.143 3.253 1.00 0.32 O ATOM 803 CB VAL A 54 0.059 -3.405 1.057 1.00 0.24 C ATOM 804 CG1 VAL A 54 0.737 -2.079 0.694 1.00 0.36 C ATOM 805 CG2 VAL A 54 -0.534 -4.100 -0.182 1.00 0.29 C ATOM 0 H VAL A 54 -0.507 -5.737 1.683 1.00 0.29 H new ATOM 0 HA VAL A 54 1.941 -4.409 1.150 1.00 0.23 H new ATOM 0 HB VAL A 54 -0.763 -3.175 1.735 1.00 0.24 H new ATOM 0 HG11 VAL A 54 0.021 -1.430 0.189 1.00 0.36 H new ATOM 0 HG12 VAL A 54 1.091 -1.591 1.602 1.00 0.36 H new ATOM 0 HG13 VAL A 54 1.582 -2.271 0.032 1.00 0.36 H new ATOM 0 HG21 VAL A 54 -1.232 -3.426 -0.678 1.00 0.29 H new ATOM 0 HG22 VAL A 54 0.269 -4.363 -0.871 1.00 0.29 H new ATOM 0 HG23 VAL A 54 -1.060 -5.004 0.125 1.00 0.29 H new ATOM 815 N GLU A 55 0.677 -4.066 4.173 1.00 0.35 N ATOM 816 CA GLU A 55 0.878 -3.712 5.560 1.00 0.41 C ATOM 817 C GLU A 55 2.166 -4.383 6.036 1.00 0.28 C ATOM 818 O GLU A 55 3.100 -3.708 6.465 1.00 0.29 O ATOM 819 CB GLU A 55 -0.372 -4.157 6.341 1.00 0.57 C ATOM 820 CG GLU A 55 -0.462 -3.524 7.729 1.00 0.63 C ATOM 821 CD GLU A 55 0.376 -4.278 8.753 1.00 2.03 C ATOM 822 OE1 GLU A 55 -0.065 -5.386 9.124 1.00 2.51 O ATOM 823 OE2 GLU A 55 1.443 -3.746 9.122 1.00 3.35 O ATOM 0 H GLU A 55 -0.193 -4.582 4.040 1.00 0.35 H new ATOM 0 HA GLU A 55 0.997 -2.640 5.715 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -1.263 -3.896 5.770 1.00 0.57 H new ATOM 0 HB3 GLU A 55 -0.364 -5.242 6.442 1.00 0.57 H new ATOM 0 HG2 GLU A 55 -0.127 -2.488 7.678 1.00 0.63 H new ATOM 0 HG3 GLU A 55 -1.502 -3.507 8.053 1.00 0.63 H new ATOM 830 N GLN A 56 2.253 -5.708 5.852 1.00 0.31 N ATOM 831 CA GLN A 56 3.445 -6.475 6.160 1.00 0.33 C ATOM 832 C GLN A 56 4.694 -5.821 5.558 1.00 0.31 C ATOM 833 O GLN A 56 5.722 -5.743 6.224 1.00 0.48 O ATOM 834 CB GLN A 56 3.249 -7.910 5.654 1.00 0.45 C ATOM 835 CG GLN A 56 4.318 -8.875 6.164 1.00 0.54 C ATOM 836 CD GLN A 56 4.169 -9.176 7.652 1.00 2.33 C ATOM 837 OE1 GLN A 56 3.431 -10.077 8.034 1.00 3.80 O ATOM 838 NE2 GLN A 56 4.873 -8.439 8.504 1.00 3.19 N ATOM 0 H GLN A 56 1.487 -6.271 5.482 1.00 0.31 H new ATOM 0 HA GLN A 56 3.601 -6.498 7.239 1.00 0.33 H new ATOM 0 HB2 GLN A 56 2.267 -8.268 5.964 1.00 0.45 H new ATOM 0 HB3 GLN A 56 3.258 -7.909 4.564 1.00 0.45 H new ATOM 0 HG2 GLN A 56 4.261 -9.806 5.600 1.00 0.54 H new ATOM 0 HG3 GLN A 56 5.305 -8.450 5.979 1.00 0.54 H new ATOM 0 HE21 GLN A 56 5.479 -7.696 8.156 1.00 3.19 H new ATOM 0 HE22 GLN A 56 4.808 -8.616 9.506 1.00 3.19 H new ATOM 847 N ALA A 57 4.613 -5.337 4.314 1.00 0.30 N ATOM 848 CA ALA A 57 5.690 -4.591 3.688 1.00 0.35 C ATOM 849 C ALA A 57 5.886 -3.228 4.378 1.00 0.28 C ATOM 850 O ALA A 57 7.004 -2.846 4.730 1.00 0.33 O ATOM 851 CB ALA A 57 5.387 -4.471 2.190 1.00 0.49 C ATOM 0 H ALA A 57 3.794 -5.456 3.718 1.00 0.30 H new ATOM 0 HA ALA A 57 6.638 -5.116 3.802 1.00 0.35 H new ATOM 0 HB1 ALA A 57 6.185 -3.913 1.701 1.00 0.49 H new ATOM 0 HB2 ALA A 57 5.319 -5.467 1.752 1.00 0.49 H new ATOM 0 HB3 ALA A 57 4.441 -3.948 2.051 1.00 0.49 H new ATOM 857 N GLY A 58 4.786 -2.503 4.598 1.00 0.25 N ATOM 858 CA GLY A 58 4.707 -1.220 5.276 1.00 0.29 C ATOM 859 C GLY A 58 5.287 -1.251 6.684 1.00 0.28 C ATOM 860 O GLY A 58 5.609 -0.194 7.227 1.00 0.31 O ATOM 0 H GLY A 58 3.870 -2.824 4.284 1.00 0.25 H new ATOM 0 HA2 GLY A 58 5.238 -0.472 4.687 1.00 0.29 H new ATOM 0 HA3 GLY A 58 3.664 -0.906 5.326 1.00 0.29 H new ATOM 864 N ALA A 59 5.488 -2.439 7.260 1.00 0.30 N ATOM 865 CA ALA A 59 6.335 -2.639 8.427 1.00 0.32 C ATOM 866 C ALA A 59 7.623 -1.810 8.365 1.00 0.36 C ATOM 867 O ALA A 59 8.116 -1.419 9.417 1.00 0.43 O ATOM 868 CB ALA A 59 6.672 -4.120 8.599 1.00 0.40 C ATOM 0 H ALA A 59 5.058 -3.299 6.919 1.00 0.30 H new ATOM 0 HA ALA A 59 5.768 -2.294 9.292 1.00 0.32 H new ATOM 0 HB1 ALA A 59 7.306 -4.249 9.476 1.00 0.40 H new ATOM 0 HB2 ALA A 59 5.752 -4.690 8.729 1.00 0.40 H new ATOM 0 HB3 ALA A 59 7.199 -4.478 7.715 1.00 0.40 H new ATOM 874 N PHE A 60 8.154 -1.506 7.171 1.00 0.35 N ATOM 875 CA PHE A 60 9.297 -0.606 7.038 1.00 0.42 C ATOM 876 C PHE A 60 9.132 0.727 7.790 1.00 0.41 C ATOM 877 O PHE A 60 10.123 1.255 8.287 1.00 0.50 O ATOM 878 CB PHE A 60 9.689 -0.405 5.562 1.00 0.48 C ATOM 879 CG PHE A 60 8.717 0.338 4.652 1.00 0.48 C ATOM 880 CD1 PHE A 60 8.536 1.729 4.784 1.00 1.66 C ATOM 881 CD2 PHE A 60 8.193 -0.306 3.514 1.00 1.82 C ATOM 882 CE1 PHE A 60 7.737 2.438 3.869 1.00 1.68 C ATOM 883 CE2 PHE A 60 7.465 0.418 2.553 1.00 1.85 C ATOM 884 CZ PHE A 60 7.207 1.785 2.746 1.00 0.62 C ATOM 0 H PHE A 60 7.806 -1.874 6.286 1.00 0.35 H new ATOM 0 HA PHE A 60 10.130 -1.105 7.534 1.00 0.42 H new ATOM 0 HB2 PHE A 60 10.639 0.128 5.540 1.00 0.48 H new ATOM 0 HB3 PHE A 60 9.865 -1.389 5.128 1.00 0.48 H new ATOM 0 HD1 PHE A 60 9.015 2.256 5.596 1.00 1.66 H new ATOM 0 HD2 PHE A 60 8.352 -1.366 3.378 1.00 1.82 H new ATOM 0 HE1 PHE A 60 7.531 3.486 4.031 1.00 1.68 H new ATOM 0 HE2 PHE A 60 7.103 -0.078 1.665 1.00 1.85 H new ATOM 0 HZ PHE A 60 6.604 2.330 2.034 1.00 0.62 H new ATOM 894 N GLU A 61 7.913 1.281 7.833 1.00 0.35 N ATOM 895 CA GLU A 61 7.574 2.542 8.502 1.00 0.37 C ATOM 896 C GLU A 61 6.410 2.385 9.500 1.00 0.38 C ATOM 897 O GLU A 61 6.072 3.338 10.198 1.00 0.53 O ATOM 898 CB GLU A 61 7.255 3.607 7.439 1.00 0.42 C ATOM 899 CG GLU A 61 8.491 4.409 6.996 1.00 1.13 C ATOM 900 CD GLU A 61 8.624 5.729 7.743 1.00 1.15 C ATOM 901 OE1 GLU A 61 7.662 6.523 7.657 1.00 1.91 O ATOM 902 OE2 GLU A 61 9.694 5.928 8.356 1.00 2.39 O ATOM 0 H GLU A 61 7.106 0.846 7.386 1.00 0.35 H new ATOM 0 HA GLU A 61 8.435 2.859 9.090 1.00 0.37 H new ATOM 0 HB2 GLU A 61 6.813 3.122 6.569 1.00 0.42 H new ATOM 0 HB3 GLU A 61 6.507 4.294 7.835 1.00 0.42 H new ATOM 0 HG2 GLU A 61 9.387 3.810 7.159 1.00 1.13 H new ATOM 0 HG3 GLU A 61 8.429 4.605 5.926 1.00 1.13 H new ATOM 909 N HIS A 62 5.788 1.202 9.582 1.00 0.33 N ATOM 910 CA HIS A 62 4.770 0.855 10.571 1.00 0.32 C ATOM 911 C HIS A 62 3.442 1.564 10.261 1.00 0.29 C ATOM 912 O HIS A 62 2.921 2.320 11.087 1.00 0.36 O ATOM 913 CB HIS A 62 5.265 1.138 12.006 1.00 0.42 C ATOM 914 CG HIS A 62 6.713 0.801 12.289 1.00 0.63 C ATOM 915 ND1 HIS A 62 7.458 -0.207 11.719 1.00 0.63 N ATOM 916 CD2 HIS A 62 7.559 1.527 13.086 1.00 1.08 C ATOM 917 CE1 HIS A 62 8.715 -0.095 12.176 1.00 1.04 C ATOM 918 NE2 HIS A 62 8.827 0.942 13.019 1.00 1.33 N ATOM 0 H HIS A 62 5.989 0.437 8.938 1.00 0.33 H new ATOM 0 HA HIS A 62 4.584 -0.217 10.509 1.00 0.32 H new ATOM 0 HB2 HIS A 62 5.111 2.196 12.220 1.00 0.42 H new ATOM 0 HB3 HIS A 62 4.640 0.578 12.701 1.00 0.42 H new ATOM 0 HD1 HIS A 62 7.116 -0.912 11.066 1.00 0.63 H new ATOM 0 HD2 HIS A 62 7.293 2.399 13.665 1.00 1.08 H new ATOM 0 HE1 HIS A 62 9.527 -0.752 11.902 1.00 1.04 H new ATOM 926 N LEU A 63 2.882 1.354 9.064 1.00 0.28 N ATOM 927 CA LEU A 63 1.667 2.060 8.653 1.00 0.31 C ATOM 928 C LEU A 63 0.421 1.429 9.280 1.00 0.31 C ATOM 929 O LEU A 63 0.503 0.369 9.892 1.00 0.44 O ATOM 930 CB LEU A 63 1.583 2.184 7.122 1.00 0.35 C ATOM 931 CG LEU A 63 2.558 3.236 6.566 1.00 0.36 C ATOM 932 CD1 LEU A 63 2.212 4.631 7.107 1.00 1.18 C ATOM 933 CD2 LEU A 63 4.010 2.816 6.817 1.00 1.01 C ATOM 0 H LEU A 63 3.249 0.705 8.368 1.00 0.28 H new ATOM 0 HA LEU A 63 1.715 3.080 9.035 1.00 0.31 H new ATOM 0 HB2 LEU A 63 1.799 1.216 6.669 1.00 0.35 H new ATOM 0 HB3 LEU A 63 0.565 2.449 6.837 1.00 0.35 H new ATOM 0 HG LEU A 63 2.449 3.297 5.483 1.00 0.36 H new ATOM 0 HD11 LEU A 63 2.912 5.362 6.703 1.00 1.18 H new ATOM 0 HD12 LEU A 63 1.198 4.896 6.808 1.00 1.18 H new ATOM 0 HD13 LEU A 63 2.280 4.626 8.195 1.00 1.18 H new ATOM 0 HD21 LEU A 63 4.683 3.574 6.416 1.00 1.01 H new ATOM 0 HD22 LEU A 63 4.179 2.712 7.889 1.00 1.01 H new ATOM 0 HD23 LEU A 63 4.203 1.863 6.325 1.00 1.01 H new ATOM 945 N LYS A 64 -0.726 2.117 9.183 1.00 0.32 N ATOM 946 CA LYS A 64 -1.950 1.729 9.872 1.00 0.31 C ATOM 947 C LYS A 64 -3.093 1.847 8.875 1.00 0.46 C ATOM 948 O LYS A 64 -3.989 2.677 8.997 1.00 1.12 O ATOM 949 CB LYS A 64 -2.156 2.509 11.181 1.00 0.36 C ATOM 950 CG LYS A 64 -2.013 4.036 11.090 1.00 0.41 C ATOM 951 CD LYS A 64 -0.569 4.559 11.052 1.00 2.02 C ATOM 952 CE LYS A 64 0.197 4.383 12.378 1.00 3.21 C ATOM 953 NZ LYS A 64 1.666 4.384 12.194 1.00 4.92 N ATOM 0 H LYS A 64 -0.824 2.962 8.620 1.00 0.32 H new ATOM 0 HA LYS A 64 -1.895 0.694 10.209 1.00 0.31 H new ATOM 0 HB2 LYS A 64 -3.151 2.280 11.563 1.00 0.36 H new ATOM 0 HB3 LYS A 64 -1.440 2.141 11.916 1.00 0.36 H new ATOM 0 HG2 LYS A 64 -2.530 4.380 10.194 1.00 0.41 H new ATOM 0 HG3 LYS A 64 -2.522 4.484 11.944 1.00 0.41 H new ATOM 0 HD2 LYS A 64 -0.027 4.042 10.260 1.00 2.02 H new ATOM 0 HD3 LYS A 64 -0.583 5.617 10.790 1.00 2.02 H new ATOM 0 HE2 LYS A 64 -0.080 5.185 13.062 1.00 3.21 H new ATOM 0 HE3 LYS A 64 -0.106 3.446 12.846 1.00 3.21 H new ATOM 0 HZ1 LYS A 64 2.132 4.433 13.122 1.00 4.92 H new ATOM 0 HZ2 LYS A 64 1.955 3.512 11.707 1.00 4.92 H new ATOM 0 HZ3 LYS A 64 1.944 5.208 11.623 1.00 4.92 H new ATOM 967 N ILE A 65 -2.995 1.003 7.855 1.00 0.31 N ATOM 968 CA ILE A 65 -3.899 0.998 6.716 1.00 0.30 C ATOM 969 C ILE A 65 -5.177 0.255 7.096 1.00 0.40 C ATOM 970 O ILE A 65 -5.105 -0.845 7.641 1.00 0.60 O ATOM 971 CB ILE A 65 -3.265 0.347 5.469 1.00 0.33 C ATOM 972 CG1 ILE A 65 -1.740 0.497 5.424 1.00 0.35 C ATOM 973 CG2 ILE A 65 -3.989 0.880 4.228 1.00 0.35 C ATOM 974 CD1 ILE A 65 -1.074 0.090 4.114 1.00 0.50 C ATOM 0 H ILE A 65 -2.269 0.289 7.797 1.00 0.31 H new ATOM 0 HA ILE A 65 -4.122 2.034 6.460 1.00 0.30 H new ATOM 0 HB ILE A 65 -3.404 -0.733 5.508 1.00 0.33 H new ATOM 0 HG12 ILE A 65 -1.489 1.538 5.630 1.00 0.35 H new ATOM 0 HG13 ILE A 65 -1.311 -0.099 6.229 1.00 0.35 H new ATOM 0 HG21 ILE A 65 -3.556 0.432 3.334 1.00 0.35 H new ATOM 0 HG22 ILE A 65 -5.047 0.624 4.286 1.00 0.35 H new ATOM 0 HG23 ILE A 65 -3.880 1.963 4.180 1.00 0.35 H new ATOM 0 HD11 ILE A 65 0.003 0.236 4.193 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -1.284 -0.960 3.910 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -1.465 0.702 3.301 1.00 0.50 H new ATOM 986 N ILE A 66 -6.337 0.856 6.824 1.00 0.37 N ATOM 987 CA ILE A 66 -7.631 0.341 7.248 1.00 0.48 C ATOM 988 C ILE A 66 -8.505 0.139 6.000 1.00 0.39 C ATOM 989 O ILE A 66 -8.598 1.049 5.170 1.00 0.33 O ATOM 990 CB ILE A 66 -8.267 1.321 8.256 1.00 0.62 C ATOM 991 CG1 ILE A 66 -7.394 1.463 9.521 1.00 0.79 C ATOM 992 CG2 ILE A 66 -9.669 0.849 8.675 1.00 0.72 C ATOM 993 CD1 ILE A 66 -7.620 2.803 10.227 1.00 1.04 C ATOM 0 H ILE A 66 -6.400 1.726 6.295 1.00 0.37 H new ATOM 0 HA ILE A 66 -7.528 -0.620 7.752 1.00 0.48 H new ATOM 0 HB ILE A 66 -8.342 2.287 7.757 1.00 0.62 H new ATOM 0 HG12 ILE A 66 -7.618 0.648 10.209 1.00 0.79 H new ATOM 0 HG13 ILE A 66 -6.343 1.370 9.248 1.00 0.79 H new ATOM 0 HG21 ILE A 66 -10.094 1.558 9.386 1.00 0.72 H new ATOM 0 HG22 ILE A 66 -10.310 0.788 7.796 1.00 0.72 H new ATOM 0 HG23 ILE A 66 -9.598 -0.134 9.141 1.00 0.72 H new ATOM 0 HD11 ILE A 66 -6.986 2.860 11.112 1.00 1.04 H new ATOM 0 HD12 ILE A 66 -7.370 3.619 9.548 1.00 1.04 H new ATOM 0 HD13 ILE A 66 -8.665 2.886 10.524 1.00 1.04 H new ATOM 1005 N PRO A 67 -9.150 -1.033 5.841 1.00 0.45 N ATOM 1006 CA PRO A 67 -10.157 -1.229 4.813 1.00 0.44 C ATOM 1007 C PRO A 67 -11.377 -0.369 5.137 1.00 0.55 C ATOM 1008 O PRO A 67 -12.131 -0.696 6.050 1.00 0.85 O ATOM 1009 CB PRO A 67 -10.495 -2.726 4.837 1.00 0.55 C ATOM 1010 CG PRO A 67 -10.158 -3.159 6.262 1.00 0.65 C ATOM 1011 CD PRO A 67 -9.010 -2.232 6.660 1.00 0.61 C ATOM 0 HA PRO A 67 -9.812 -0.935 3.822 1.00 0.44 H new ATOM 0 HB2 PRO A 67 -11.545 -2.902 4.605 1.00 0.55 H new ATOM 0 HB3 PRO A 67 -9.909 -3.279 4.103 1.00 0.55 H new ATOM 0 HG2 PRO A 67 -11.013 -3.046 6.928 1.00 0.65 H new ATOM 0 HG3 PRO A 67 -9.859 -4.206 6.302 1.00 0.65 H new ATOM 0 HD2 PRO A 67 -9.059 -1.986 7.721 1.00 0.61 H new ATOM 0 HD3 PRO A 67 -8.046 -2.711 6.487 1.00 0.61 H new ATOM 1019 N GLU A 68 -11.573 0.716 4.379 1.00 0.52 N ATOM 1020 CA GLU A 68 -12.765 1.554 4.452 1.00 0.68 C ATOM 1021 C GLU A 68 -14.024 0.676 4.409 1.00 1.17 C ATOM 1022 O GLU A 68 -14.903 0.783 5.262 1.00 2.64 O ATOM 1023 CB GLU A 68 -12.761 2.550 3.275 1.00 0.98 C ATOM 1024 CG GLU A 68 -11.577 3.530 3.312 1.00 2.05 C ATOM 1025 CD GLU A 68 -11.559 4.464 2.098 1.00 2.56 C ATOM 1026 OE1 GLU A 68 -11.028 4.049 1.045 1.00 3.41 O ATOM 1027 OE2 GLU A 68 -12.014 5.619 2.251 1.00 2.82 O ATOM 0 H GLU A 68 -10.895 1.037 3.688 1.00 0.52 H new ATOM 0 HA GLU A 68 -12.765 2.111 5.389 1.00 0.68 H new ATOM 0 HB2 GLU A 68 -12.734 1.994 2.338 1.00 0.98 H new ATOM 0 HB3 GLU A 68 -13.693 3.116 3.284 1.00 0.98 H new ATOM 0 HG2 GLU A 68 -11.628 4.124 4.224 1.00 2.05 H new ATOM 0 HG3 GLU A 68 -10.644 2.968 3.349 1.00 2.05 H new ATOM 1034 N LYS A 69 -14.073 -0.204 3.404 1.00 1.78 N ATOM 1035 CA LYS A 69 -15.212 -1.059 3.104 1.00 2.18 C ATOM 1036 C LYS A 69 -16.455 -0.221 2.769 1.00 2.57 C ATOM 1037 O LYS A 69 -16.381 1.002 2.649 1.00 3.13 O ATOM 1038 CB LYS A 69 -15.445 -2.081 4.237 1.00 2.71 C ATOM 1039 CG LYS A 69 -15.628 -3.497 3.673 1.00 3.60 C ATOM 1040 CD LYS A 69 -15.999 -4.479 4.794 1.00 4.27 C ATOM 1041 CE LYS A 69 -16.166 -5.913 4.273 1.00 5.27 C ATOM 1042 NZ LYS A 69 -17.289 -6.038 3.317 1.00 5.32 N ATOM 0 H LYS A 69 -13.294 -0.341 2.760 1.00 1.78 H new ATOM 0 HA LYS A 69 -14.992 -1.642 2.210 1.00 2.18 H new ATOM 0 HB2 LYS A 69 -14.599 -2.066 4.924 1.00 2.71 H new ATOM 0 HB3 LYS A 69 -16.327 -1.798 4.811 1.00 2.71 H new ATOM 0 HG2 LYS A 69 -16.408 -3.494 2.912 1.00 3.60 H new ATOM 0 HG3 LYS A 69 -14.709 -3.822 3.186 1.00 3.60 H new ATOM 0 HD2 LYS A 69 -15.226 -4.461 5.562 1.00 4.27 H new ATOM 0 HD3 LYS A 69 -16.926 -4.155 5.267 1.00 4.27 H new ATOM 0 HE2 LYS A 69 -15.243 -6.231 3.788 1.00 5.27 H new ATOM 0 HE3 LYS A 69 -16.332 -6.586 5.115 1.00 5.27 H new ATOM 0 HZ1 LYS A 69 -17.426 -7.039 3.072 1.00 5.32 H new ATOM 0 HZ2 LYS A 69 -18.158 -5.666 3.751 1.00 5.32 H new ATOM 0 HZ3 LYS A 69 -17.073 -5.497 2.455 1.00 5.32 H new ATOM 1056 N GLU A 70 -17.591 -0.894 2.584 1.00 3.36 N ATOM 1057 CA GLU A 70 -18.861 -0.316 2.195 1.00 4.31 C ATOM 1058 C GLU A 70 -19.914 -1.404 2.413 1.00 5.37 C ATOM 1059 O GLU A 70 -19.563 -2.590 2.389 1.00 6.03 O ATOM 1060 CB GLU A 70 -18.795 0.171 0.737 1.00 4.92 C ATOM 1061 CG GLU A 70 -18.513 -0.960 -0.267 1.00 6.29 C ATOM 1062 CD GLU A 70 -17.888 -0.433 -1.552 1.00 7.06 C ATOM 1063 OE1 GLU A 70 -18.403 0.587 -2.060 1.00 7.15 O ATOM 1064 OE2 GLU A 70 -16.902 -1.059 -1.997 1.00 8.21 O ATOM 0 H GLU A 70 -17.645 -1.905 2.709 1.00 3.36 H new ATOM 0 HA GLU A 70 -19.117 0.562 2.788 1.00 4.31 H new ATOM 0 HB2 GLU A 70 -19.739 0.651 0.478 1.00 4.92 H new ATOM 0 HB3 GLU A 70 -18.017 0.929 0.649 1.00 4.92 H new ATOM 0 HG2 GLU A 70 -17.846 -1.692 0.188 1.00 6.29 H new ATOM 0 HG3 GLU A 70 -19.443 -1.478 -0.501 1.00 6.29 H new ATOM 1071 N ALA A 71 -21.162 -0.984 2.640 1.00 6.07 N ATOM 1072 CA ALA A 71 -22.270 -1.842 3.040 1.00 7.37 C ATOM 1073 C ALA A 71 -21.883 -2.729 4.231 1.00 7.98 C ATOM 1074 O ALA A 71 -22.297 -3.909 4.238 1.00 8.83 O ATOM 1075 CB ALA A 71 -22.787 -2.639 1.835 1.00 8.44 C ATOM 1076 OXT ALA A 71 -21.184 -2.202 5.125 1.00 8.03 O ATOM 0 H ALA A 71 -21.433 -0.005 2.546 1.00 6.07 H new ATOM 0 HA ALA A 71 -23.096 -1.220 3.387 1.00 7.37 H new ATOM 0 HB1 ALA A 71 -23.614 -3.276 2.148 1.00 8.44 H new ATOM 0 HB2 ALA A 71 -23.131 -1.950 1.064 1.00 8.44 H new ATOM 0 HB3 ALA A 71 -21.983 -3.258 1.436 1.00 8.44 H new TER 1082 ALA A 71