USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 477 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 23 GLN : amide:sc= -0.0926 K(o=-0.74,f=-5.5) USER MOD Set 1.2: A 27 GLN : amide:sc= -0.381! C(o=-0.74!,f=-5.2!) USER MOD Set 1.3: A 30 GLN : amide:sc= -0.265 K(o=-0.74,f=-8.2!) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.0876 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0.862 (180deg=0.7) USER MOD Single : A 6 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.025) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 113:sc= 1 USER MOD Single : A 11 SER OG : rot 132:sc= 0.906 USER MOD Single : A 17 SER OG : rot 90:sc= 0.674 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.441 K(o=0.44,f=-11!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 ASN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 51 MET CE :methyl -107:sc= -2.95 (180deg=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 24.977 13.998 -0.918 1.00 1.44 N ATOM 2 CA ALA A 1 24.164 14.875 -1.823 1.00 1.35 C ATOM 3 C ALA A 1 22.872 15.316 -1.113 1.00 1.18 C ATOM 4 O ALA A 1 22.489 14.749 -0.108 1.00 1.13 O ATOM 5 CB ALA A 1 23.838 14.009 -3.048 1.00 1.48 C ATOM 0 H1 ALA A 1 25.872 14.474 -0.686 1.00 1.44 H new ATOM 0 H2 ALA A 1 24.446 13.815 -0.043 1.00 1.44 H new ATOM 0 H3 ALA A 1 25.178 13.097 -1.396 1.00 1.44 H new ATOM 0 HA ALA A 1 24.700 15.782 -2.104 1.00 1.35 H new ATOM 0 HB1 ALA A 1 23.243 14.588 -3.755 1.00 1.48 H new ATOM 0 HB2 ALA A 1 24.765 13.693 -3.527 1.00 1.48 H new ATOM 0 HB3 ALA A 1 23.274 13.131 -2.733 1.00 1.48 H new ATOM 13 N MET A 2 22.201 16.318 -1.628 1.00 1.16 N ATOM 14 CA MET A 2 20.934 16.794 -0.981 1.00 1.04 C ATOM 15 C MET A 2 19.781 15.813 -1.259 1.00 0.99 C ATOM 16 O MET A 2 18.819 16.142 -1.927 1.00 1.03 O ATOM 17 CB MET A 2 20.655 18.157 -1.622 1.00 1.15 C ATOM 18 CG MET A 2 21.660 19.188 -1.104 1.00 1.24 C ATOM 19 SD MET A 2 22.958 19.436 -2.340 1.00 1.49 S ATOM 20 CE MET A 2 22.284 20.954 -3.056 1.00 2.02 C ATOM 0 H MET A 2 22.474 16.828 -2.468 1.00 1.16 H new ATOM 0 HA MET A 2 21.025 16.862 0.103 1.00 1.04 H new ATOM 0 HB2 MET A 2 20.725 18.080 -2.707 1.00 1.15 H new ATOM 0 HB3 MET A 2 19.639 18.477 -1.390 1.00 1.15 H new ATOM 0 HG2 MET A 2 21.155 20.132 -0.896 1.00 1.24 H new ATOM 0 HG3 MET A 2 22.097 18.847 -0.165 1.00 1.24 H new ATOM 0 HE1 MET A 2 22.936 21.299 -3.858 1.00 2.02 H new ATOM 0 HE2 MET A 2 21.289 20.757 -3.456 1.00 2.02 H new ATOM 0 HE3 MET A 2 22.220 21.722 -2.286 1.00 2.02 H new ATOM 30 N GLU A 3 19.872 14.612 -0.749 1.00 0.97 N ATOM 31 CA GLU A 3 18.788 13.607 -0.986 1.00 1.00 C ATOM 32 C GLU A 3 17.691 13.721 0.086 1.00 0.86 C ATOM 33 O GLU A 3 16.597 14.176 -0.189 1.00 0.80 O ATOM 34 CB GLU A 3 19.494 12.246 -0.917 1.00 1.14 C ATOM 35 CG GLU A 3 18.462 11.110 -1.012 1.00 1.23 C ATOM 36 CD GLU A 3 18.058 10.636 0.388 1.00 1.18 C ATOM 37 OE1 GLU A 3 18.910 10.590 1.259 1.00 1.20 O ATOM 38 OE2 GLU A 3 16.890 10.329 0.571 1.00 1.18 O ATOM 0 H GLU A 3 20.650 14.282 -0.178 1.00 0.97 H new ATOM 0 HA GLU A 3 18.288 13.757 -1.943 1.00 1.00 H new ATOM 0 HB2 GLU A 3 20.216 12.161 -1.729 1.00 1.14 H new ATOM 0 HB3 GLU A 3 20.052 12.164 0.016 1.00 1.14 H new ATOM 0 HG2 GLU A 3 17.581 11.455 -1.554 1.00 1.23 H new ATOM 0 HG3 GLU A 3 18.879 10.277 -1.578 1.00 1.23 H new ATOM 45 N LYS A 4 17.968 13.303 1.299 1.00 0.85 N ATOM 46 CA LYS A 4 16.933 13.370 2.382 1.00 0.78 C ATOM 47 C LYS A 4 16.381 14.788 2.528 1.00 0.65 C ATOM 48 O LYS A 4 15.189 14.986 2.682 1.00 0.60 O ATOM 49 CB LYS A 4 17.657 12.925 3.656 1.00 0.88 C ATOM 50 CG LYS A 4 16.646 12.337 4.649 1.00 0.94 C ATOM 51 CD LYS A 4 15.938 11.124 4.025 1.00 1.02 C ATOM 52 CE LYS A 4 16.943 9.991 3.795 1.00 1.19 C ATOM 53 NZ LYS A 4 16.354 9.176 2.690 1.00 1.26 N ATOM 0 H LYS A 4 18.868 12.918 1.587 1.00 0.85 H new ATOM 0 HA LYS A 4 16.074 12.736 2.162 1.00 0.78 H new ATOM 0 HB2 LYS A 4 18.417 12.182 3.413 1.00 0.88 H new ATOM 0 HB3 LYS A 4 18.173 13.773 4.107 1.00 0.88 H new ATOM 0 HG2 LYS A 4 17.156 12.039 5.565 1.00 0.94 H new ATOM 0 HG3 LYS A 4 15.912 13.094 4.924 1.00 0.94 H new ATOM 0 HD2 LYS A 4 15.137 10.783 4.681 1.00 1.02 H new ATOM 0 HD3 LYS A 4 15.476 11.409 3.080 1.00 1.02 H new ATOM 0 HE2 LYS A 4 17.923 10.381 3.520 1.00 1.19 H new ATOM 0 HE3 LYS A 4 17.080 9.394 4.697 1.00 1.19 H new ATOM 0 HZ1 LYS A 4 16.959 8.350 2.507 1.00 1.26 H new ATOM 0 HZ2 LYS A 4 15.403 8.855 2.964 1.00 1.26 H new ATOM 0 HZ3 LYS A 4 16.289 9.755 1.828 1.00 1.26 H new ATOM 67 N VAL A 5 17.237 15.770 2.461 1.00 0.64 N ATOM 68 CA VAL A 5 16.771 17.189 2.577 1.00 0.61 C ATOM 69 C VAL A 5 15.712 17.481 1.509 1.00 0.58 C ATOM 70 O VAL A 5 14.681 18.070 1.781 1.00 0.58 O ATOM 71 CB VAL A 5 18.017 18.063 2.375 1.00 0.70 C ATOM 72 CG1 VAL A 5 18.672 17.759 1.024 1.00 0.76 C ATOM 73 CG2 VAL A 5 17.605 19.536 2.411 1.00 0.78 C ATOM 0 H VAL A 5 18.242 15.655 2.331 1.00 0.64 H new ATOM 0 HA VAL A 5 16.310 17.389 3.544 1.00 0.61 H new ATOM 0 HB VAL A 5 18.732 17.850 3.170 1.00 0.70 H new ATOM 0 HG11 VAL A 5 19.554 18.387 0.897 1.00 0.76 H new ATOM 0 HG12 VAL A 5 18.966 16.710 0.990 1.00 0.76 H new ATOM 0 HG13 VAL A 5 17.963 17.963 0.222 1.00 0.76 H new ATOM 0 HG21 VAL A 5 18.485 20.163 2.268 1.00 0.78 H new ATOM 0 HG22 VAL A 5 16.886 19.732 1.615 1.00 0.78 H new ATOM 0 HG23 VAL A 5 17.150 19.763 3.375 1.00 0.78 H new ATOM 83 N GLN A 6 15.948 17.048 0.305 1.00 0.63 N ATOM 84 CA GLN A 6 14.953 17.261 -0.781 1.00 0.68 C ATOM 85 C GLN A 6 13.820 16.250 -0.617 1.00 0.62 C ATOM 86 O GLN A 6 12.677 16.521 -0.931 1.00 0.63 O ATOM 87 CB GLN A 6 15.717 17.023 -2.086 1.00 0.83 C ATOM 88 CG GLN A 6 16.588 18.244 -2.401 1.00 0.94 C ATOM 89 CD GLN A 6 15.726 19.346 -3.019 1.00 1.12 C ATOM 90 OE1 GLN A 6 15.373 19.279 -4.175 1.00 1.63 O ATOM 91 NE2 GLN A 6 15.365 20.362 -2.292 1.00 1.05 N ATOM 0 H GLN A 6 16.794 16.552 0.024 1.00 0.63 H new ATOM 0 HA GLN A 6 14.511 18.257 -0.765 1.00 0.68 H new ATOM 0 HB2 GLN A 6 16.339 16.133 -1.998 1.00 0.83 H new ATOM 0 HB3 GLN A 6 15.017 16.843 -2.902 1.00 0.83 H new ATOM 0 HG2 GLN A 6 17.063 18.608 -1.490 1.00 0.94 H new ATOM 0 HG3 GLN A 6 17.387 17.965 -3.088 1.00 0.94 H new ATOM 0 HE21 GLN A 6 15.660 20.422 -1.318 1.00 1.05 H new ATOM 0 HE22 GLN A 6 14.787 21.099 -2.696 1.00 1.05 H new ATOM 100 N TYR A 7 14.141 15.092 -0.100 1.00 0.62 N ATOM 101 CA TYR A 7 13.111 14.035 0.123 1.00 0.63 C ATOM 102 C TYR A 7 12.053 14.542 1.109 1.00 0.51 C ATOM 103 O TYR A 7 10.870 14.553 0.815 1.00 0.51 O ATOM 104 CB TYR A 7 13.883 12.850 0.716 1.00 0.74 C ATOM 105 CG TYR A 7 13.146 11.560 0.442 1.00 0.87 C ATOM 106 CD1 TYR A 7 11.966 11.265 1.135 1.00 0.96 C ATOM 107 CD2 TYR A 7 13.649 10.658 -0.500 1.00 1.04 C ATOM 108 CE1 TYR A 7 11.290 10.064 0.884 1.00 1.13 C ATOM 109 CE2 TYR A 7 12.971 9.459 -0.752 1.00 1.20 C ATOM 110 CZ TYR A 7 11.792 9.163 -0.061 1.00 1.21 C ATOM 111 OH TYR A 7 11.127 7.979 -0.309 1.00 1.40 O ATOM 0 H TYR A 7 15.086 14.831 0.181 1.00 0.62 H new ATOM 0 HA TYR A 7 12.588 13.758 -0.792 1.00 0.63 H new ATOM 0 HB2 TYR A 7 14.883 12.805 0.285 1.00 0.74 H new ATOM 0 HB3 TYR A 7 14.005 12.987 1.790 1.00 0.74 H new ATOM 0 HD1 TYR A 7 11.577 11.962 1.862 1.00 0.96 H new ATOM 0 HD2 TYR A 7 14.560 10.886 -1.033 1.00 1.04 H new ATOM 0 HE1 TYR A 7 10.381 9.834 1.420 1.00 1.13 H new ATOM 0 HE2 TYR A 7 13.359 8.762 -1.481 1.00 1.20 H new ATOM 0 HH TYR A 7 11.609 7.470 -0.994 1.00 1.40 H new ATOM 121 N LEU A 8 12.471 14.976 2.274 1.00 0.47 N ATOM 122 CA LEU A 8 11.490 15.494 3.273 1.00 0.46 C ATOM 123 C LEU A 8 10.843 16.788 2.756 1.00 0.43 C ATOM 124 O LEU A 8 9.668 17.021 2.962 1.00 0.46 O ATOM 125 CB LEU A 8 12.296 15.722 4.564 1.00 0.57 C ATOM 126 CG LEU A 8 13.270 16.897 4.412 1.00 0.58 C ATOM 127 CD1 LEU A 8 12.591 18.194 4.857 1.00 0.70 C ATOM 128 CD2 LEU A 8 14.496 16.650 5.292 1.00 0.69 C ATOM 0 H LEU A 8 13.446 14.993 2.573 1.00 0.47 H new ATOM 0 HA LEU A 8 10.670 14.799 3.453 1.00 0.46 H new ATOM 0 HB2 LEU A 8 11.614 15.917 5.392 1.00 0.57 H new ATOM 0 HB3 LEU A 8 12.850 14.817 4.814 1.00 0.57 H new ATOM 0 HG LEU A 8 13.570 16.984 3.368 1.00 0.58 H new ATOM 0 HD11 LEU A 8 13.287 19.025 4.747 1.00 0.70 H new ATOM 0 HD12 LEU A 8 11.711 18.374 4.240 1.00 0.70 H new ATOM 0 HD13 LEU A 8 12.291 18.108 5.901 1.00 0.70 H new ATOM 0 HD21 LEU A 8 15.192 17.482 5.188 1.00 0.69 H new ATOM 0 HD22 LEU A 8 14.185 16.565 6.333 1.00 0.69 H new ATOM 0 HD23 LEU A 8 14.986 15.727 4.983 1.00 0.69 H new ATOM 140 N THR A 9 11.589 17.617 2.060 1.00 0.46 N ATOM 141 CA THR A 9 10.998 18.881 1.513 1.00 0.56 C ATOM 142 C THR A 9 9.891 18.542 0.510 1.00 0.55 C ATOM 143 O THR A 9 8.777 19.020 0.617 1.00 0.59 O ATOM 144 CB THR A 9 12.152 19.613 0.815 1.00 0.66 C ATOM 145 OG1 THR A 9 13.159 19.928 1.767 1.00 0.69 O ATOM 146 CG2 THR A 9 11.637 20.905 0.186 1.00 0.83 C ATOM 0 H THR A 9 12.576 17.473 1.849 1.00 0.46 H new ATOM 0 HA THR A 9 10.554 19.498 2.294 1.00 0.56 H new ATOM 0 HB THR A 9 12.567 18.970 0.039 1.00 0.66 H new ATOM 0 HG1 THR A 9 13.965 19.405 1.576 1.00 0.69 H new ATOM 0 HG21 THR A 9 12.459 21.422 -0.309 1.00 0.83 H new ATOM 0 HG22 THR A 9 10.864 20.671 -0.545 1.00 0.83 H new ATOM 0 HG23 THR A 9 11.220 21.546 0.962 1.00 0.83 H new ATOM 154 N ARG A 10 10.186 17.707 -0.459 1.00 0.54 N ATOM 155 CA ARG A 10 9.149 17.322 -1.471 1.00 0.58 C ATOM 156 C ARG A 10 7.936 16.681 -0.784 1.00 0.47 C ATOM 157 O ARG A 10 6.800 16.952 -1.119 1.00 0.49 O ATOM 158 CB ARG A 10 9.842 16.307 -2.387 1.00 0.66 C ATOM 159 CG ARG A 10 9.750 16.782 -3.837 1.00 0.84 C ATOM 160 CD ARG A 10 8.322 16.587 -4.349 1.00 0.87 C ATOM 161 NE ARG A 10 8.185 17.563 -5.468 1.00 1.04 N ATOM 162 CZ ARG A 10 7.110 18.277 -5.583 1.00 1.04 C ATOM 163 NH1 ARG A 10 5.986 17.706 -5.867 1.00 1.04 N ATOM 164 NH2 ARG A 10 7.164 19.560 -5.412 1.00 1.10 N ATOM 0 H ARG A 10 11.100 17.275 -0.593 1.00 0.54 H new ATOM 0 HA ARG A 10 8.778 18.186 -2.022 1.00 0.58 H new ATOM 0 HB2 ARG A 10 10.886 16.193 -2.096 1.00 0.66 H new ATOM 0 HB3 ARG A 10 9.373 15.328 -2.283 1.00 0.66 H new ATOM 0 HG2 ARG A 10 10.032 17.833 -3.905 1.00 0.84 H new ATOM 0 HG3 ARG A 10 10.450 16.224 -4.459 1.00 0.84 H new ATOM 0 HD2 ARG A 10 8.161 15.565 -4.693 1.00 0.87 H new ATOM 0 HD3 ARG A 10 7.590 16.779 -3.564 1.00 0.87 H new ATOM 0 HE ARG A 10 8.940 17.669 -6.145 1.00 1.04 H new ATOM 0 HH11 ARG A 10 5.947 16.695 -6.000 1.00 1.04 H new ATOM 0 HH12 ARG A 10 5.138 18.266 -5.958 1.00 1.04 H new ATOM 0 HH21 ARG A 10 8.053 20.008 -5.187 1.00 1.10 H new ATOM 0 HH22 ARG A 10 6.318 20.123 -5.502 1.00 1.10 H new ATOM 178 N SER A 11 8.182 15.843 0.179 1.00 0.37 N ATOM 179 CA SER A 11 7.061 15.173 0.919 1.00 0.31 C ATOM 180 C SER A 11 6.334 16.180 1.811 1.00 0.31 C ATOM 181 O SER A 11 5.134 16.107 1.995 1.00 0.33 O ATOM 182 CB SER A 11 7.735 14.107 1.772 1.00 0.35 C ATOM 183 OG SER A 11 6.864 12.986 1.906 1.00 0.47 O ATOM 0 H SER A 11 9.117 15.586 0.494 1.00 0.37 H new ATOM 0 HA SER A 11 6.318 14.752 0.242 1.00 0.31 H new ATOM 0 HB2 SER A 11 8.674 13.799 1.313 1.00 0.35 H new ATOM 0 HB3 SER A 11 7.978 14.512 2.754 1.00 0.35 H new ATOM 0 HG SER A 11 7.360 12.162 1.717 1.00 0.47 H new ATOM 189 N ALA A 12 7.059 17.127 2.351 1.00 0.38 N ATOM 190 CA ALA A 12 6.441 18.164 3.221 1.00 0.51 C ATOM 191 C ALA A 12 5.548 19.057 2.374 1.00 0.58 C ATOM 192 O ALA A 12 4.530 19.554 2.821 1.00 0.67 O ATOM 193 CB ALA A 12 7.622 18.954 3.768 1.00 0.60 C ATOM 0 H ALA A 12 8.066 17.224 2.222 1.00 0.38 H new ATOM 0 HA ALA A 12 5.826 17.747 4.018 1.00 0.51 H new ATOM 0 HB1 ALA A 12 7.258 19.745 4.424 1.00 0.60 H new ATOM 0 HB2 ALA A 12 8.276 18.288 4.331 1.00 0.60 H new ATOM 0 HB3 ALA A 12 8.179 19.396 2.941 1.00 0.60 H new ATOM 199 N ILE A 13 5.937 19.253 1.149 1.00 0.59 N ATOM 200 CA ILE A 13 5.144 20.090 0.225 1.00 0.71 C ATOM 201 C ILE A 13 4.166 19.220 -0.577 1.00 0.65 C ATOM 202 O ILE A 13 3.225 19.731 -1.146 1.00 0.74 O ATOM 203 CB ILE A 13 6.163 20.759 -0.702 1.00 0.81 C ATOM 204 CG1 ILE A 13 5.499 21.936 -1.423 1.00 0.99 C ATOM 205 CG2 ILE A 13 6.655 19.747 -1.737 1.00 0.76 C ATOM 206 CD1 ILE A 13 6.466 23.117 -1.480 1.00 1.04 C ATOM 0 H ILE A 13 6.787 18.859 0.746 1.00 0.59 H new ATOM 0 HA ILE A 13 4.545 20.828 0.758 1.00 0.71 H new ATOM 0 HB ILE A 13 7.007 21.118 -0.113 1.00 0.81 H new ATOM 0 HG12 ILE A 13 5.210 21.641 -2.432 1.00 0.99 H new ATOM 0 HG13 ILE A 13 4.586 22.226 -0.902 1.00 0.99 H new ATOM 0 HG21 ILE A 13 7.380 20.224 -2.396 1.00 0.76 H new ATOM 0 HG22 ILE A 13 7.126 18.906 -1.228 1.00 0.76 H new ATOM 0 HG23 ILE A 13 5.810 19.389 -2.326 1.00 0.76 H new ATOM 0 HD11 ILE A 13 5.990 23.952 -1.994 1.00 1.04 H new ATOM 0 HD12 ILE A 13 6.733 23.418 -0.467 1.00 1.04 H new ATOM 0 HD13 ILE A 13 7.366 22.824 -2.020 1.00 1.04 H new ATOM 218 N ARG A 14 4.386 17.910 -0.636 1.00 0.51 N ATOM 219 CA ARG A 14 3.452 17.013 -1.417 1.00 0.49 C ATOM 220 C ARG A 14 2.011 17.479 -1.190 1.00 0.53 C ATOM 221 O ARG A 14 1.243 17.649 -2.118 1.00 0.61 O ATOM 222 CB ARG A 14 3.686 15.604 -0.847 1.00 0.37 C ATOM 223 CG ARG A 14 2.461 14.714 -1.104 1.00 0.38 C ATOM 224 CD ARG A 14 2.910 13.347 -1.643 1.00 0.48 C ATOM 225 NE ARG A 14 3.112 12.479 -0.435 1.00 0.47 N ATOM 226 CZ ARG A 14 4.019 12.783 0.444 1.00 0.42 C ATOM 227 NH1 ARG A 14 3.730 13.568 1.435 1.00 0.38 N ATOM 228 NH2 ARG A 14 5.213 12.300 0.332 1.00 0.50 N ATOM 0 H ARG A 14 5.164 17.432 -0.181 1.00 0.51 H new ATOM 0 HA ARG A 14 3.630 17.032 -2.492 1.00 0.49 H new ATOM 0 HB2 ARG A 14 4.569 15.160 -1.307 1.00 0.37 H new ATOM 0 HB3 ARG A 14 3.881 15.665 0.224 1.00 0.37 H new ATOM 0 HG2 ARG A 14 1.896 14.583 -0.181 1.00 0.38 H new ATOM 0 HG3 ARG A 14 1.795 15.196 -1.820 1.00 0.38 H new ATOM 0 HD2 ARG A 14 2.158 12.923 -2.308 1.00 0.48 H new ATOM 0 HD3 ARG A 14 3.831 13.437 -2.219 1.00 0.48 H new ATOM 0 HE ARG A 14 2.535 11.648 -0.304 1.00 0.47 H new ATOM 0 HH11 ARG A 14 2.788 13.949 1.526 1.00 0.38 H new ATOM 0 HH12 ARG A 14 4.445 13.805 2.123 1.00 0.38 H new ATOM 0 HH21 ARG A 14 5.442 11.681 -0.446 1.00 0.50 H new ATOM 0 HH22 ARG A 14 5.926 12.538 1.021 1.00 0.50 H new ATOM 242 N ARG A 15 1.691 17.722 0.050 1.00 0.51 N ATOM 243 CA ARG A 15 0.337 18.244 0.457 1.00 0.59 C ATOM 244 C ARG A 15 -0.124 19.393 -0.437 1.00 0.75 C ATOM 245 O ARG A 15 -1.297 19.592 -0.670 1.00 0.81 O ATOM 246 CB ARG A 15 0.514 18.801 1.875 1.00 0.67 C ATOM 247 CG ARG A 15 1.924 19.397 2.113 1.00 0.71 C ATOM 248 CD ARG A 15 1.953 20.886 1.776 1.00 0.87 C ATOM 249 NE ARG A 15 1.587 21.569 3.050 1.00 1.00 N ATOM 250 CZ ARG A 15 2.491 22.194 3.741 1.00 1.08 C ATOM 251 NH1 ARG A 15 3.636 21.629 3.985 1.00 1.00 N ATOM 252 NH2 ARG A 15 2.250 23.385 4.180 1.00 1.27 N ATOM 0 H ARG A 15 2.329 17.578 0.832 1.00 0.51 H new ATOM 0 HA ARG A 15 -0.402 17.446 0.385 1.00 0.59 H new ATOM 0 HB2 ARG A 15 -0.236 19.571 2.054 1.00 0.67 H new ATOM 0 HB3 ARG A 15 0.334 18.006 2.598 1.00 0.67 H new ATOM 0 HG2 ARG A 15 2.214 19.250 3.153 1.00 0.71 H new ATOM 0 HG3 ARG A 15 2.654 18.868 1.501 1.00 0.71 H new ATOM 0 HD2 ARG A 15 2.940 21.195 1.430 1.00 0.87 H new ATOM 0 HD3 ARG A 15 1.247 21.126 0.981 1.00 0.87 H new ATOM 0 HE ARG A 15 0.622 21.545 3.380 1.00 1.00 H new ATOM 0 HH11 ARG A 15 3.827 20.691 3.633 1.00 1.00 H new ATOM 0 HH12 ARG A 15 4.343 22.124 4.528 1.00 1.00 H new ATOM 0 HH21 ARG A 15 1.353 23.829 3.983 1.00 1.27 H new ATOM 0 HH22 ARG A 15 2.956 23.881 4.723 1.00 1.27 H new ATOM 266 N ALA A 16 0.799 20.161 -0.904 1.00 0.83 N ATOM 267 CA ALA A 16 0.450 21.318 -1.771 1.00 1.01 C ATOM 268 C ALA A 16 0.931 21.071 -3.192 1.00 1.04 C ATOM 269 O ALA A 16 0.808 21.919 -4.055 1.00 1.19 O ATOM 270 CB ALA A 16 1.217 22.475 -1.165 1.00 1.13 C ATOM 0 H ALA A 16 1.796 20.042 -0.725 1.00 0.83 H new ATOM 0 HA ALA A 16 -0.624 21.497 -1.820 1.00 1.01 H new ATOM 0 HB1 ALA A 16 1.023 23.381 -1.739 1.00 1.13 H new ATOM 0 HB2 ALA A 16 0.897 22.624 -0.134 1.00 1.13 H new ATOM 0 HB3 ALA A 16 2.284 22.254 -1.185 1.00 1.13 H new ATOM 276 N SER A 17 1.503 19.929 -3.438 1.00 0.93 N ATOM 277 CA SER A 17 2.018 19.660 -4.811 1.00 1.02 C ATOM 278 C SER A 17 1.283 18.508 -5.479 1.00 1.00 C ATOM 279 O SER A 17 1.086 18.504 -6.679 1.00 1.12 O ATOM 280 CB SER A 17 3.499 19.331 -4.622 1.00 0.99 C ATOM 281 OG SER A 17 4.117 19.137 -5.896 1.00 1.10 O ATOM 0 H SER A 17 1.636 19.178 -2.761 1.00 0.93 H new ATOM 0 HA SER A 17 1.866 20.518 -5.466 1.00 1.02 H new ATOM 0 HB2 SER A 17 3.995 20.140 -4.086 1.00 0.99 H new ATOM 0 HB3 SER A 17 3.607 18.433 -4.014 1.00 0.99 H new ATOM 0 HG SER A 17 4.462 19.993 -6.226 1.00 1.10 H new ATOM 287 N THR A 18 0.880 17.537 -4.725 1.00 0.85 N ATOM 288 CA THR A 18 0.152 16.383 -5.342 1.00 0.85 C ATOM 289 C THR A 18 -0.835 15.739 -4.373 1.00 0.70 C ATOM 290 O THR A 18 -1.856 15.212 -4.773 1.00 0.72 O ATOM 291 CB THR A 18 1.239 15.383 -5.764 1.00 0.90 C ATOM 292 OG1 THR A 18 0.664 14.380 -6.593 1.00 1.00 O ATOM 293 CG2 THR A 18 1.867 14.722 -4.534 1.00 0.75 C ATOM 0 H THR A 18 1.016 17.482 -3.716 1.00 0.85 H new ATOM 0 HA THR A 18 -0.448 16.715 -6.189 1.00 0.85 H new ATOM 0 HB THR A 18 2.014 15.920 -6.311 1.00 0.90 H new ATOM 0 HG1 THR A 18 1.357 13.742 -6.864 1.00 1.00 H new ATOM 0 HG21 THR A 18 2.635 14.017 -4.852 1.00 0.75 H new ATOM 0 HG22 THR A 18 2.316 15.486 -3.900 1.00 0.75 H new ATOM 0 HG23 THR A 18 1.097 14.192 -3.973 1.00 0.75 H new ATOM 301 N ILE A 19 -0.532 15.757 -3.113 1.00 0.57 N ATOM 302 CA ILE A 19 -1.445 15.127 -2.124 1.00 0.43 C ATOM 303 C ILE A 19 -2.280 16.174 -1.391 1.00 0.45 C ATOM 304 O ILE A 19 -2.057 17.359 -1.476 1.00 0.57 O ATOM 305 CB ILE A 19 -0.546 14.351 -1.150 1.00 0.33 C ATOM 306 CG1 ILE A 19 -1.293 13.114 -0.644 1.00 0.33 C ATOM 307 CG2 ILE A 19 -0.174 15.233 0.042 1.00 0.30 C ATOM 308 CD1 ILE A 19 -0.312 12.171 0.053 1.00 0.50 C ATOM 0 H ILE A 19 0.309 16.181 -2.721 1.00 0.57 H new ATOM 0 HA ILE A 19 -2.159 14.466 -2.615 1.00 0.43 H new ATOM 0 HB ILE A 19 0.363 14.051 -1.671 1.00 0.33 H new ATOM 0 HG12 ILE A 19 -2.081 13.411 0.048 1.00 0.33 H new ATOM 0 HG13 ILE A 19 -1.775 12.602 -1.477 1.00 0.33 H new ATOM 0 HG21 ILE A 19 0.463 14.672 0.725 1.00 0.30 H new ATOM 0 HG22 ILE A 19 0.361 16.115 -0.311 1.00 0.30 H new ATOM 0 HG23 ILE A 19 -1.080 15.542 0.563 1.00 0.30 H new ATOM 0 HD11 ILE A 19 -0.846 11.291 0.412 1.00 0.50 H new ATOM 0 HD12 ILE A 19 0.461 11.864 -0.652 1.00 0.50 H new ATOM 0 HD13 ILE A 19 0.150 12.685 0.896 1.00 0.50 H new ATOM 320 N GLU A 20 -3.219 15.692 -0.659 1.00 0.41 N ATOM 321 CA GLU A 20 -4.127 16.528 0.161 1.00 0.52 C ATOM 322 C GLU A 20 -3.824 16.175 1.622 1.00 0.52 C ATOM 323 O GLU A 20 -2.672 16.140 2.021 1.00 0.50 O ATOM 324 CB GLU A 20 -5.507 16.029 -0.275 1.00 0.55 C ATOM 325 CG GLU A 20 -5.609 14.505 -0.049 1.00 0.47 C ATOM 326 CD GLU A 20 -6.941 14.157 0.611 1.00 0.56 C ATOM 327 OE1 GLU A 20 -7.078 14.406 1.796 1.00 0.57 O ATOM 328 OE2 GLU A 20 -7.794 13.623 -0.075 1.00 0.71 O ATOM 0 H GLU A 20 -3.410 14.693 -0.588 1.00 0.41 H new ATOM 0 HA GLU A 20 -4.039 17.609 0.050 1.00 0.52 H new ATOM 0 HB2 GLU A 20 -6.285 16.542 0.291 1.00 0.55 H new ATOM 0 HB3 GLU A 20 -5.672 16.261 -1.327 1.00 0.55 H new ATOM 0 HG2 GLU A 20 -5.519 13.982 -1.001 1.00 0.47 H new ATOM 0 HG3 GLU A 20 -4.785 14.167 0.579 1.00 0.47 H new ATOM 335 N MET A 21 -4.814 15.814 2.398 1.00 0.58 N ATOM 336 CA MET A 21 -4.519 15.334 3.775 1.00 0.66 C ATOM 337 C MET A 21 -3.811 13.974 3.572 1.00 0.57 C ATOM 338 O MET A 21 -3.391 13.680 2.464 1.00 0.44 O ATOM 339 CB MET A 21 -5.889 15.171 4.446 1.00 0.78 C ATOM 340 CG MET A 21 -5.907 15.921 5.780 1.00 1.01 C ATOM 341 SD MET A 21 -7.013 15.070 6.933 1.00 1.18 S ATOM 342 CE MET A 21 -8.390 16.236 6.817 1.00 1.86 C ATOM 0 H MET A 21 -5.801 15.831 2.139 1.00 0.58 H new ATOM 0 HA MET A 21 -3.895 15.987 4.385 1.00 0.66 H new ATOM 0 HB2 MET A 21 -6.672 15.555 3.792 1.00 0.78 H new ATOM 0 HB3 MET A 21 -6.100 14.114 4.610 1.00 0.78 H new ATOM 0 HG2 MET A 21 -4.900 15.972 6.195 1.00 1.01 H new ATOM 0 HG3 MET A 21 -6.241 16.947 5.628 1.00 1.01 H new ATOM 0 HE1 MET A 21 -9.204 15.903 7.461 1.00 1.86 H new ATOM 0 HE2 MET A 21 -8.057 17.224 7.134 1.00 1.86 H new ATOM 0 HE3 MET A 21 -8.740 16.284 5.786 1.00 1.86 H new ATOM 352 N PRO A 22 -3.683 13.158 4.582 1.00 0.70 N ATOM 353 CA PRO A 22 -3.012 11.856 4.346 1.00 0.70 C ATOM 354 C PRO A 22 -3.896 10.949 3.458 1.00 0.70 C ATOM 355 O PRO A 22 -4.550 10.043 3.942 1.00 0.86 O ATOM 356 CB PRO A 22 -2.846 11.287 5.757 1.00 0.90 C ATOM 357 CG PRO A 22 -3.907 11.959 6.573 1.00 1.00 C ATOM 358 CD PRO A 22 -4.116 13.326 5.975 1.00 0.89 C ATOM 0 HA PRO A 22 -2.061 11.940 3.819 1.00 0.70 H new ATOM 0 HB2 PRO A 22 -2.970 10.204 5.763 1.00 0.90 H new ATOM 0 HB3 PRO A 22 -1.852 11.496 6.153 1.00 0.90 H new ATOM 0 HG2 PRO A 22 -4.832 11.383 6.554 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -3.601 12.036 7.616 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -5.159 13.636 6.037 1.00 0.89 H new ATOM 0 HD3 PRO A 22 -3.527 14.084 6.490 1.00 0.89 H new ATOM 366 N GLN A 23 -3.911 11.173 2.153 1.00 0.57 N ATOM 367 CA GLN A 23 -4.748 10.310 1.254 1.00 0.64 C ATOM 368 C GLN A 23 -3.951 9.084 0.798 1.00 0.67 C ATOM 369 O GLN A 23 -4.498 8.016 0.612 1.00 0.73 O ATOM 370 CB GLN A 23 -5.120 11.192 0.061 1.00 0.68 C ATOM 371 CG GLN A 23 -6.269 10.540 -0.724 1.00 1.06 C ATOM 372 CD GLN A 23 -7.416 10.179 0.228 1.00 1.20 C ATOM 373 OE1 GLN A 23 -7.655 9.022 0.506 1.00 1.37 O ATOM 374 NE2 GLN A 23 -8.135 11.127 0.743 1.00 1.24 N ATOM 0 H GLN A 23 -3.384 11.909 1.682 1.00 0.57 H new ATOM 0 HA GLN A 23 -5.636 9.936 1.764 1.00 0.64 H new ATOM 0 HB2 GLN A 23 -5.418 12.182 0.407 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -4.254 11.328 -0.587 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -6.627 11.222 -1.495 1.00 1.06 H new ATOM 0 HG3 GLN A 23 -5.911 9.644 -1.232 1.00 1.06 H new ATOM 0 HE21 GLN A 23 -7.937 12.100 0.512 1.00 1.24 H new ATOM 0 HE22 GLN A 23 -8.899 10.899 1.380 1.00 1.24 H new ATOM 383 N GLN A 24 -2.659 9.217 0.658 1.00 0.65 N ATOM 384 CA GLN A 24 -1.827 8.058 0.255 1.00 0.72 C ATOM 385 C GLN A 24 -1.685 7.139 1.467 1.00 0.74 C ATOM 386 O GLN A 24 -1.579 5.943 1.331 1.00 0.79 O ATOM 387 CB GLN A 24 -0.479 8.654 -0.184 1.00 0.74 C ATOM 388 CG GLN A 24 0.417 8.929 1.033 1.00 0.75 C ATOM 389 CD GLN A 24 1.851 9.174 0.565 1.00 0.80 C ATOM 390 OE1 GLN A 24 2.168 10.237 0.069 1.00 0.68 O ATOM 391 NE2 GLN A 24 2.739 8.233 0.700 1.00 1.21 N ATOM 0 H GLN A 24 -2.146 10.086 0.808 1.00 0.65 H new ATOM 0 HA GLN A 24 -2.252 7.467 -0.556 1.00 0.72 H new ATOM 0 HB2 GLN A 24 0.024 7.966 -0.864 1.00 0.74 H new ATOM 0 HB3 GLN A 24 -0.647 9.580 -0.734 1.00 0.74 H new ATOM 0 HG2 GLN A 24 0.049 9.797 1.581 1.00 0.75 H new ATOM 0 HG3 GLN A 24 0.387 8.083 1.719 1.00 0.75 H new ATOM 0 HE21 GLN A 24 2.476 7.340 1.116 1.00 1.21 H new ATOM 0 HE22 GLN A 24 3.698 8.389 0.390 1.00 1.21 H new ATOM 400 N ALA A 25 -1.752 7.688 2.661 1.00 0.71 N ATOM 401 CA ALA A 25 -1.698 6.829 3.875 1.00 0.75 C ATOM 402 C ALA A 25 -2.969 5.977 3.888 1.00 0.72 C ATOM 403 O ALA A 25 -2.934 4.787 4.123 1.00 0.77 O ATOM 404 CB ALA A 25 -1.664 7.792 5.066 1.00 0.78 C ATOM 0 H ALA A 25 -1.841 8.688 2.839 1.00 0.71 H new ATOM 0 HA ALA A 25 -0.834 6.165 3.906 1.00 0.75 H new ATOM 0 HB1 ALA A 25 -1.624 7.222 5.994 1.00 0.78 H new ATOM 0 HB2 ALA A 25 -0.783 8.430 4.993 1.00 0.78 H new ATOM 0 HB3 ALA A 25 -2.561 8.411 5.059 1.00 0.78 H new ATOM 410 N ARG A 26 -4.088 6.590 3.586 1.00 0.66 N ATOM 411 CA ARG A 26 -5.373 5.839 3.528 1.00 0.66 C ATOM 412 C ARG A 26 -5.373 4.942 2.284 1.00 0.65 C ATOM 413 O ARG A 26 -5.813 3.807 2.331 1.00 0.64 O ATOM 414 CB ARG A 26 -6.464 6.911 3.423 1.00 0.74 C ATOM 415 CG ARG A 26 -6.777 7.467 4.814 1.00 0.74 C ATOM 416 CD ARG A 26 -7.721 8.666 4.683 1.00 0.79 C ATOM 417 NE ARG A 26 -6.832 9.867 4.688 1.00 1.06 N ATOM 418 CZ ARG A 26 -7.298 11.023 5.035 1.00 1.78 C ATOM 419 NH1 ARG A 26 -7.622 11.240 6.271 1.00 2.45 N ATOM 420 NH2 ARG A 26 -7.429 11.960 4.148 1.00 2.27 N ATOM 0 H ARG A 26 -4.163 7.585 3.376 1.00 0.66 H new ATOM 0 HA ARG A 26 -5.529 5.200 4.397 1.00 0.66 H new ATOM 0 HB2 ARG A 26 -6.135 7.715 2.765 1.00 0.74 H new ATOM 0 HB3 ARG A 26 -7.364 6.485 2.980 1.00 0.74 H new ATOM 0 HG2 ARG A 26 -7.236 6.695 5.431 1.00 0.74 H new ATOM 0 HG3 ARG A 26 -5.856 7.768 5.313 1.00 0.74 H new ATOM 0 HD2 ARG A 26 -8.303 8.610 3.763 1.00 0.79 H new ATOM 0 HD3 ARG A 26 -8.432 8.699 5.508 1.00 0.79 H new ATOM 0 HE ARG A 26 -5.853 9.775 4.417 1.00 1.06 H new ATOM 0 HH11 ARG A 26 -7.509 10.501 6.965 1.00 2.45 H new ATOM 0 HH12 ARG A 26 -7.990 12.150 6.550 1.00 2.45 H new ATOM 0 HH21 ARG A 26 -7.165 11.785 3.178 1.00 2.27 H new ATOM 0 HH22 ARG A 26 -7.796 12.872 4.420 1.00 2.27 H new ATOM 434 N GLN A 27 -4.835 5.428 1.181 1.00 0.67 N ATOM 435 CA GLN A 27 -4.764 4.581 -0.052 1.00 0.69 C ATOM 436 C GLN A 27 -3.740 3.473 0.172 1.00 0.65 C ATOM 437 O GLN A 27 -3.974 2.329 -0.167 1.00 0.66 O ATOM 438 CB GLN A 27 -4.307 5.511 -1.184 1.00 0.76 C ATOM 439 CG GLN A 27 -5.413 5.611 -2.239 1.00 0.91 C ATOM 440 CD GLN A 27 -6.389 6.718 -1.850 1.00 0.99 C ATOM 441 OE1 GLN A 27 -6.273 7.832 -2.313 1.00 1.12 O ATOM 442 NE2 GLN A 27 -7.353 6.464 -1.012 1.00 0.99 N ATOM 0 H GLN A 27 -4.447 6.367 1.087 1.00 0.67 H new ATOM 0 HA GLN A 27 -5.721 4.119 -0.293 1.00 0.69 H new ATOM 0 HB2 GLN A 27 -4.078 6.500 -0.787 1.00 0.76 H new ATOM 0 HB3 GLN A 27 -3.392 5.129 -1.636 1.00 0.76 H new ATOM 0 HG2 GLN A 27 -4.980 5.821 -3.217 1.00 0.91 H new ATOM 0 HG3 GLN A 27 -5.939 4.660 -2.321 1.00 0.91 H new ATOM 0 HE21 GLN A 27 -7.454 5.528 -0.620 1.00 0.99 H new ATOM 0 HE22 GLN A 27 -8.007 7.201 -0.748 1.00 0.99 H new ATOM 451 N ASN A 28 -2.617 3.795 0.775 1.00 0.63 N ATOM 452 CA ASN A 28 -1.599 2.734 1.054 1.00 0.62 C ATOM 453 C ASN A 28 -2.197 1.709 2.024 1.00 0.59 C ATOM 454 O ASN A 28 -1.949 0.521 1.920 1.00 0.59 O ATOM 455 CB ASN A 28 -0.408 3.457 1.693 1.00 0.63 C ATOM 456 CG ASN A 28 0.714 2.455 1.968 1.00 0.68 C ATOM 457 OD1 ASN A 28 0.773 1.873 3.027 1.00 0.71 O ATOM 458 ND2 ASN A 28 1.611 2.226 1.055 1.00 0.84 N ATOM 0 H ASN A 28 -2.365 4.735 1.082 1.00 0.63 H new ATOM 0 HA ASN A 28 -1.293 2.200 0.154 1.00 0.62 H new ATOM 0 HB2 ASN A 28 -0.051 4.246 1.031 1.00 0.63 H new ATOM 0 HB3 ASN A 28 -0.717 3.936 2.622 1.00 0.63 H new ATOM 0 HD21 ASN A 28 2.361 1.558 1.233 1.00 0.84 H new ATOM 0 HD22 ASN A 28 1.565 2.715 0.161 1.00 0.84 H new ATOM 465 N LEU A 29 -3.026 2.162 2.931 1.00 0.57 N ATOM 466 CA LEU A 29 -3.692 1.231 3.882 1.00 0.58 C ATOM 467 C LEU A 29 -4.744 0.447 3.099 1.00 0.57 C ATOM 468 O LEU A 29 -4.849 -0.761 3.212 1.00 0.57 O ATOM 469 CB LEU A 29 -4.303 2.143 4.969 1.00 0.61 C ATOM 470 CG LEU A 29 -5.818 1.941 5.093 1.00 0.65 C ATOM 471 CD1 LEU A 29 -6.110 0.594 5.753 1.00 0.68 C ATOM 472 CD2 LEU A 29 -6.407 3.058 5.955 1.00 0.72 C ATOM 0 H LEU A 29 -3.269 3.145 3.051 1.00 0.57 H new ATOM 0 HA LEU A 29 -3.030 0.500 4.348 1.00 0.58 H new ATOM 0 HB2 LEU A 29 -3.828 1.935 5.928 1.00 0.61 H new ATOM 0 HB3 LEU A 29 -4.093 3.185 4.729 1.00 0.61 H new ATOM 0 HG LEU A 29 -6.265 1.962 4.099 1.00 0.65 H new ATOM 0 HD11 LEU A 29 -7.188 0.457 5.838 1.00 0.68 H new ATOM 0 HD12 LEU A 29 -5.689 -0.207 5.146 1.00 0.68 H new ATOM 0 HD13 LEU A 29 -5.662 0.571 6.746 1.00 0.68 H new ATOM 0 HD21 LEU A 29 -7.484 2.918 6.046 1.00 0.72 H new ATOM 0 HD22 LEU A 29 -5.953 3.031 6.946 1.00 0.72 H new ATOM 0 HD23 LEU A 29 -6.204 4.022 5.489 1.00 0.72 H new ATOM 484 N GLN A 30 -5.503 1.131 2.277 1.00 0.59 N ATOM 485 CA GLN A 30 -6.531 0.438 1.453 1.00 0.62 C ATOM 486 C GLN A 30 -5.840 -0.553 0.514 1.00 0.60 C ATOM 487 O GLN A 30 -6.206 -1.710 0.430 1.00 0.60 O ATOM 488 CB GLN A 30 -7.235 1.544 0.658 1.00 0.70 C ATOM 489 CG GLN A 30 -8.278 2.233 1.550 1.00 0.76 C ATOM 490 CD GLN A 30 -8.587 3.639 1.016 1.00 0.88 C ATOM 491 OE1 GLN A 30 -7.880 4.166 0.181 1.00 0.82 O ATOM 492 NE2 GLN A 30 -9.624 4.278 1.469 1.00 1.31 N ATOM 0 H GLN A 30 -5.451 2.141 2.144 1.00 0.59 H new ATOM 0 HA GLN A 30 -7.243 -0.124 2.057 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -6.506 2.273 0.304 1.00 0.70 H new ATOM 0 HB3 GLN A 30 -7.717 1.122 -0.224 1.00 0.70 H new ATOM 0 HG2 GLN A 30 -9.191 1.639 1.580 1.00 0.76 H new ATOM 0 HG3 GLN A 30 -7.906 2.298 2.573 1.00 0.76 H new ATOM 0 HE21 GLN A 30 -10.224 3.844 2.170 1.00 1.31 H new ATOM 0 HE22 GLN A 30 -9.838 5.213 1.123 1.00 1.31 H new ATOM 501 N ASN A 31 -4.822 -0.099 -0.168 1.00 0.62 N ATOM 502 CA ASN A 31 -4.059 -0.991 -1.095 1.00 0.65 C ATOM 503 C ASN A 31 -3.562 -2.227 -0.339 1.00 0.59 C ATOM 504 O ASN A 31 -3.681 -3.344 -0.806 1.00 0.60 O ATOM 505 CB ASN A 31 -2.884 -0.132 -1.578 1.00 0.73 C ATOM 506 CG ASN A 31 -2.179 -0.820 -2.745 1.00 0.80 C ATOM 507 OD1 ASN A 31 -1.202 -1.506 -2.554 1.00 0.96 O ATOM 508 ND2 ASN A 31 -2.631 -0.663 -3.954 1.00 0.90 N ATOM 0 H ASN A 31 -4.482 0.862 -0.123 1.00 0.62 H new ATOM 0 HA ASN A 31 -4.663 -1.355 -1.926 1.00 0.65 H new ATOM 0 HB2 ASN A 31 -3.243 0.850 -1.887 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -2.180 0.029 -0.761 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -2.162 -1.118 -4.737 1.00 0.90 H new ATOM 0 HD22 ASN A 31 -3.455 -0.085 -4.119 1.00 0.90 H new ATOM 515 N LEU A 32 -3.030 -2.026 0.835 1.00 0.57 N ATOM 516 CA LEU A 32 -2.541 -3.159 1.660 1.00 0.55 C ATOM 517 C LEU A 32 -3.726 -4.019 2.080 1.00 0.51 C ATOM 518 O LEU A 32 -3.687 -5.221 1.977 1.00 0.51 O ATOM 519 CB LEU A 32 -1.872 -2.507 2.875 1.00 0.57 C ATOM 520 CG LEU A 32 -1.365 -3.590 3.829 1.00 0.67 C ATOM 521 CD1 LEU A 32 0.056 -3.251 4.277 1.00 0.90 C ATOM 522 CD2 LEU A 32 -2.278 -3.660 5.053 1.00 0.83 C ATOM 0 H LEU A 32 -2.913 -1.107 1.262 1.00 0.57 H new ATOM 0 HA LEU A 32 -1.845 -3.807 1.128 1.00 0.55 H new ATOM 0 HB2 LEU A 32 -1.043 -1.877 2.551 1.00 0.57 H new ATOM 0 HB3 LEU A 32 -2.582 -1.860 3.389 1.00 0.57 H new ATOM 0 HG LEU A 32 -1.366 -4.552 3.317 1.00 0.67 H new ATOM 0 HD11 LEU A 32 0.417 -4.023 4.957 1.00 0.90 H new ATOM 0 HD12 LEU A 32 0.710 -3.200 3.406 1.00 0.90 H new ATOM 0 HD13 LEU A 32 0.056 -2.288 4.788 1.00 0.90 H new ATOM 0 HD21 LEU A 32 -1.917 -4.432 5.733 1.00 0.83 H new ATOM 0 HD22 LEU A 32 -2.276 -2.697 5.564 1.00 0.83 H new ATOM 0 HD23 LEU A 32 -3.293 -3.901 4.737 1.00 0.83 H new ATOM 534 N PHE A 33 -4.787 -3.404 2.525 1.00 0.51 N ATOM 535 CA PHE A 33 -5.991 -4.188 2.931 1.00 0.52 C ATOM 536 C PHE A 33 -6.483 -5.019 1.740 1.00 0.52 C ATOM 537 O PHE A 33 -6.760 -6.197 1.867 1.00 0.52 O ATOM 538 CB PHE A 33 -7.038 -3.142 3.334 1.00 0.59 C ATOM 539 CG PHE A 33 -7.218 -3.161 4.833 1.00 0.68 C ATOM 540 CD1 PHE A 33 -6.208 -2.666 5.666 1.00 0.75 C ATOM 541 CD2 PHE A 33 -8.396 -3.673 5.390 1.00 0.81 C ATOM 542 CE1 PHE A 33 -6.375 -2.682 7.056 1.00 0.90 C ATOM 543 CE2 PHE A 33 -8.563 -3.690 6.779 1.00 0.96 C ATOM 544 CZ PHE A 33 -7.553 -3.194 7.613 1.00 0.98 C ATOM 0 H PHE A 33 -4.874 -2.393 2.626 1.00 0.51 H new ATOM 0 HA PHE A 33 -5.786 -4.880 3.748 1.00 0.52 H new ATOM 0 HB2 PHE A 33 -6.722 -2.151 3.008 1.00 0.59 H new ATOM 0 HB3 PHE A 33 -7.987 -3.353 2.840 1.00 0.59 H new ATOM 0 HD1 PHE A 33 -5.299 -2.271 5.236 1.00 0.75 H new ATOM 0 HD2 PHE A 33 -9.176 -4.055 4.748 1.00 0.81 H new ATOM 0 HE1 PHE A 33 -5.595 -2.300 7.698 1.00 0.90 H new ATOM 0 HE2 PHE A 33 -9.471 -4.086 7.208 1.00 0.96 H new ATOM 0 HZ PHE A 33 -7.683 -3.206 8.685 1.00 0.98 H new ATOM 554 N ILE A 34 -6.572 -4.417 0.578 1.00 0.54 N ATOM 555 CA ILE A 34 -7.025 -5.176 -0.631 1.00 0.57 C ATOM 556 C ILE A 34 -5.947 -6.185 -1.061 1.00 0.54 C ATOM 557 O ILE A 34 -6.247 -7.324 -1.366 1.00 0.55 O ATOM 558 CB ILE A 34 -7.249 -4.118 -1.723 1.00 0.66 C ATOM 559 CG1 ILE A 34 -8.323 -3.107 -1.282 1.00 0.71 C ATOM 560 CG2 ILE A 34 -7.711 -4.803 -3.012 1.00 0.75 C ATOM 561 CD1 ILE A 34 -9.409 -3.807 -0.456 1.00 0.72 C ATOM 0 H ILE A 34 -6.351 -3.435 0.415 1.00 0.54 H new ATOM 0 HA ILE A 34 -7.933 -5.747 -0.437 1.00 0.57 H new ATOM 0 HB ILE A 34 -6.310 -3.591 -1.894 1.00 0.66 H new ATOM 0 HG12 ILE A 34 -7.864 -2.313 -0.693 1.00 0.71 H new ATOM 0 HG13 ILE A 34 -8.770 -2.636 -2.158 1.00 0.71 H new ATOM 0 HG21 ILE A 34 -7.870 -4.052 -3.786 1.00 0.75 H new ATOM 0 HG22 ILE A 34 -6.949 -5.509 -3.342 1.00 0.75 H new ATOM 0 HG23 ILE A 34 -8.644 -5.336 -2.827 1.00 0.75 H new ATOM 0 HD11 ILE A 34 -10.161 -3.079 -0.152 1.00 0.72 H new ATOM 0 HD12 ILE A 34 -9.880 -4.584 -1.058 1.00 0.72 H new ATOM 0 HD13 ILE A 34 -8.960 -4.256 0.430 1.00 0.72 H new ATOM 573 N ASN A 35 -4.694 -5.785 -1.069 1.00 0.54 N ATOM 574 CA ASN A 35 -3.613 -6.729 -1.463 1.00 0.56 C ATOM 575 C ASN A 35 -3.478 -7.798 -0.395 1.00 0.50 C ATOM 576 O ASN A 35 -3.374 -8.975 -0.687 1.00 0.51 O ATOM 577 CB ASN A 35 -2.333 -5.891 -1.554 1.00 0.62 C ATOM 578 CG ASN A 35 -2.212 -5.292 -2.953 1.00 0.72 C ATOM 579 OD1 ASN A 35 -1.743 -5.937 -3.863 1.00 0.86 O ATOM 580 ND2 ASN A 35 -2.623 -4.081 -3.166 1.00 0.94 N ATOM 0 H ASN A 35 -4.381 -4.847 -0.819 1.00 0.54 H new ATOM 0 HA ASN A 35 -3.819 -7.226 -2.411 1.00 0.56 H new ATOM 0 HB2 ASN A 35 -2.352 -5.097 -0.808 1.00 0.62 H new ATOM 0 HB3 ASN A 35 -1.464 -6.512 -1.337 1.00 0.62 H new ATOM 0 HD21 ASN A 35 -2.551 -3.674 -4.099 1.00 0.94 H new ATOM 0 HD22 ASN A 35 -3.019 -3.535 -2.401 1.00 0.94 H new ATOM 587 N PHE A 36 -3.496 -7.392 0.845 1.00 0.48 N ATOM 588 CA PHE A 36 -3.381 -8.390 1.943 1.00 0.47 C ATOM 589 C PHE A 36 -4.539 -9.390 1.849 1.00 0.44 C ATOM 590 O PHE A 36 -4.341 -10.590 1.889 1.00 0.45 O ATOM 591 CB PHE A 36 -3.448 -7.588 3.248 1.00 0.50 C ATOM 592 CG PHE A 36 -3.426 -8.530 4.429 1.00 0.59 C ATOM 593 CD1 PHE A 36 -2.246 -9.201 4.768 1.00 0.72 C ATOM 594 CD2 PHE A 36 -4.588 -8.732 5.181 1.00 0.68 C ATOM 595 CE1 PHE A 36 -2.228 -10.075 5.861 1.00 0.86 C ATOM 596 CE2 PHE A 36 -4.570 -9.605 6.275 1.00 0.83 C ATOM 597 CZ PHE A 36 -3.391 -10.277 6.614 1.00 0.88 C ATOM 0 H PHE A 36 -3.585 -6.420 1.143 1.00 0.48 H new ATOM 0 HA PHE A 36 -2.455 -8.962 1.888 1.00 0.47 H new ATOM 0 HB2 PHE A 36 -2.606 -6.898 3.305 1.00 0.50 H new ATOM 0 HB3 PHE A 36 -4.356 -6.985 3.269 1.00 0.50 H new ATOM 0 HD1 PHE A 36 -1.349 -9.045 4.187 1.00 0.72 H new ATOM 0 HD2 PHE A 36 -5.499 -8.215 4.918 1.00 0.68 H new ATOM 0 HE1 PHE A 36 -1.318 -10.593 6.123 1.00 0.86 H new ATOM 0 HE2 PHE A 36 -5.466 -9.760 6.857 1.00 0.83 H new ATOM 0 HZ PHE A 36 -3.378 -10.952 7.457 1.00 0.88 H new ATOM 607 N ALA A 37 -5.738 -8.898 1.692 1.00 0.44 N ATOM 608 CA ALA A 37 -6.919 -9.801 1.560 1.00 0.45 C ATOM 609 C ALA A 37 -6.763 -10.679 0.310 1.00 0.43 C ATOM 610 O ALA A 37 -6.951 -11.882 0.359 1.00 0.44 O ATOM 611 CB ALA A 37 -8.124 -8.865 1.421 1.00 0.53 C ATOM 0 H ALA A 37 -5.952 -7.902 1.649 1.00 0.44 H new ATOM 0 HA ALA A 37 -7.030 -10.473 2.411 1.00 0.45 H new ATOM 0 HB1 ALA A 37 -9.034 -9.456 1.319 1.00 0.53 H new ATOM 0 HB2 ALA A 37 -8.199 -8.234 2.307 1.00 0.53 H new ATOM 0 HB3 ALA A 37 -7.998 -8.238 0.538 1.00 0.53 H new ATOM 617 N LEU A 38 -6.407 -10.085 -0.807 1.00 0.45 N ATOM 618 CA LEU A 38 -6.225 -10.885 -2.057 1.00 0.48 C ATOM 619 C LEU A 38 -5.125 -11.932 -1.848 1.00 0.45 C ATOM 620 O LEU A 38 -5.305 -13.096 -2.146 1.00 0.45 O ATOM 621 CB LEU A 38 -5.818 -9.873 -3.134 1.00 0.58 C ATOM 622 CG LEU A 38 -7.068 -9.220 -3.727 1.00 0.66 C ATOM 623 CD1 LEU A 38 -6.667 -7.964 -4.501 1.00 0.76 C ATOM 624 CD2 LEU A 38 -7.750 -10.202 -4.679 1.00 0.78 C ATOM 0 H LEU A 38 -6.236 -9.084 -0.904 1.00 0.45 H new ATOM 0 HA LEU A 38 -7.130 -11.423 -2.340 1.00 0.48 H new ATOM 0 HB2 LEU A 38 -5.167 -9.112 -2.704 1.00 0.58 H new ATOM 0 HB3 LEU A 38 -5.249 -10.372 -3.919 1.00 0.58 H new ATOM 0 HG LEU A 38 -7.754 -8.951 -2.924 1.00 0.66 H new ATOM 0 HD11 LEU A 38 -7.557 -7.498 -4.924 1.00 0.76 H new ATOM 0 HD12 LEU A 38 -6.175 -7.263 -3.827 1.00 0.76 H new ATOM 0 HD13 LEU A 38 -5.982 -8.235 -5.305 1.00 0.76 H new ATOM 0 HD21 LEU A 38 -8.641 -9.739 -5.103 1.00 0.78 H new ATOM 0 HD22 LEU A 38 -7.062 -10.467 -5.482 1.00 0.78 H new ATOM 0 HD23 LEU A 38 -8.034 -11.101 -4.132 1.00 0.78 H new ATOM 636 N ILE A 39 -4.000 -11.535 -1.309 1.00 0.47 N ATOM 637 CA ILE A 39 -2.912 -12.526 -1.054 1.00 0.51 C ATOM 638 C ILE A 39 -3.442 -13.597 -0.092 1.00 0.46 C ATOM 639 O ILE A 39 -3.249 -14.780 -0.298 1.00 0.50 O ATOM 640 CB ILE A 39 -1.766 -11.722 -0.422 1.00 0.58 C ATOM 641 CG1 ILE A 39 -1.104 -10.849 -1.494 1.00 0.69 C ATOM 642 CG2 ILE A 39 -0.719 -12.675 0.166 1.00 0.68 C ATOM 643 CD1 ILE A 39 -0.185 -9.827 -0.823 1.00 0.75 C ATOM 0 H ILE A 39 -3.789 -10.575 -1.036 1.00 0.47 H new ATOM 0 HA ILE A 39 -2.571 -13.034 -1.956 1.00 0.51 H new ATOM 0 HB ILE A 39 -2.169 -11.093 0.372 1.00 0.58 H new ATOM 0 HG12 ILE A 39 -0.532 -11.471 -2.183 1.00 0.69 H new ATOM 0 HG13 ILE A 39 -1.865 -10.338 -2.083 1.00 0.69 H new ATOM 0 HG21 ILE A 39 0.090 -12.096 0.612 1.00 0.68 H new ATOM 0 HG22 ILE A 39 -1.183 -13.299 0.930 1.00 0.68 H new ATOM 0 HG23 ILE A 39 -0.318 -13.308 -0.625 1.00 0.68 H new ATOM 0 HD11 ILE A 39 0.286 -9.206 -1.585 1.00 0.75 H new ATOM 0 HD12 ILE A 39 -0.769 -9.197 -0.152 1.00 0.75 H new ATOM 0 HD13 ILE A 39 0.584 -10.348 -0.253 1.00 0.75 H new ATOM 655 N LEU A 40 -4.131 -13.185 0.945 1.00 0.43 N ATOM 656 CA LEU A 40 -4.700 -14.168 1.912 1.00 0.45 C ATOM 657 C LEU A 40 -5.708 -15.088 1.206 1.00 0.40 C ATOM 658 O LEU A 40 -5.655 -16.299 1.345 1.00 0.44 O ATOM 659 CB LEU A 40 -5.400 -13.323 2.982 1.00 0.50 C ATOM 660 CG LEU A 40 -5.220 -13.978 4.351 1.00 0.88 C ATOM 661 CD1 LEU A 40 -4.045 -13.325 5.076 1.00 1.30 C ATOM 662 CD2 LEU A 40 -6.491 -13.786 5.175 1.00 1.33 C ATOM 0 H LEU A 40 -4.323 -12.207 1.161 1.00 0.43 H new ATOM 0 HA LEU A 40 -3.932 -14.810 2.342 1.00 0.45 H new ATOM 0 HB2 LEU A 40 -4.985 -12.315 2.993 1.00 0.50 H new ATOM 0 HB3 LEU A 40 -6.461 -13.229 2.749 1.00 0.50 H new ATOM 0 HG LEU A 40 -5.024 -15.042 4.222 1.00 0.88 H new ATOM 0 HD11 LEU A 40 -3.916 -13.791 6.053 1.00 1.30 H new ATOM 0 HD12 LEU A 40 -3.137 -13.456 4.488 1.00 1.30 H new ATOM 0 HD13 LEU A 40 -4.243 -12.261 5.205 1.00 1.30 H new ATOM 0 HD21 LEU A 40 -6.365 -14.252 6.152 1.00 1.33 H new ATOM 0 HD22 LEU A 40 -6.684 -12.721 5.303 1.00 1.33 H new ATOM 0 HD23 LEU A 40 -7.333 -14.247 4.658 1.00 1.33 H new ATOM 674 N ILE A 41 -6.624 -14.530 0.445 1.00 0.37 N ATOM 675 CA ILE A 41 -7.623 -15.390 -0.262 1.00 0.38 C ATOM 676 C ILE A 41 -6.919 -16.279 -1.299 1.00 0.35 C ATOM 677 O ILE A 41 -7.198 -17.456 -1.396 1.00 0.37 O ATOM 678 CB ILE A 41 -8.639 -14.420 -0.905 1.00 0.47 C ATOM 679 CG1 ILE A 41 -10.013 -15.087 -0.931 1.00 0.58 C ATOM 680 CG2 ILE A 41 -8.235 -14.058 -2.339 1.00 0.51 C ATOM 681 CD1 ILE A 41 -11.079 -14.084 -0.496 1.00 1.06 C ATOM 0 H ILE A 41 -6.720 -13.527 0.286 1.00 0.37 H new ATOM 0 HA ILE A 41 -8.136 -16.073 0.415 1.00 0.38 H new ATOM 0 HB ILE A 41 -8.663 -13.505 -0.313 1.00 0.47 H new ATOM 0 HG12 ILE A 41 -10.232 -15.453 -1.934 1.00 0.58 H new ATOM 0 HG13 ILE A 41 -10.021 -15.952 -0.268 1.00 0.58 H new ATOM 0 HG21 ILE A 41 -8.971 -13.374 -2.763 1.00 0.51 H new ATOM 0 HG22 ILE A 41 -7.256 -13.579 -2.331 1.00 0.51 H new ATOM 0 HG23 ILE A 41 -8.191 -14.964 -2.944 1.00 0.51 H new ATOM 0 HD11 ILE A 41 -12.058 -14.562 -0.515 1.00 1.06 H new ATOM 0 HD12 ILE A 41 -10.863 -13.740 0.515 1.00 1.06 H new ATOM 0 HD13 ILE A 41 -11.077 -13.233 -1.177 1.00 1.06 H new ATOM 693 N PHE A 42 -5.993 -15.739 -2.056 1.00 0.37 N ATOM 694 CA PHE A 42 -5.268 -16.576 -3.064 1.00 0.43 C ATOM 695 C PHE A 42 -4.500 -17.705 -2.359 1.00 0.44 C ATOM 696 O PHE A 42 -4.396 -18.811 -2.860 1.00 0.48 O ATOM 697 CB PHE A 42 -4.302 -15.617 -3.767 1.00 0.53 C ATOM 698 CG PHE A 42 -4.923 -15.134 -5.055 1.00 0.62 C ATOM 699 CD1 PHE A 42 -5.020 -15.997 -6.152 1.00 0.75 C ATOM 700 CD2 PHE A 42 -5.408 -13.823 -5.152 1.00 0.80 C ATOM 701 CE1 PHE A 42 -5.598 -15.551 -7.346 1.00 0.88 C ATOM 702 CE2 PHE A 42 -5.987 -13.376 -6.345 1.00 0.93 C ATOM 703 CZ PHE A 42 -6.082 -14.241 -7.443 1.00 0.91 C ATOM 0 H PHE A 42 -5.709 -14.760 -2.020 1.00 0.37 H new ATOM 0 HA PHE A 42 -5.948 -17.050 -3.772 1.00 0.43 H new ATOM 0 HB2 PHE A 42 -4.077 -14.770 -3.119 1.00 0.53 H new ATOM 0 HB3 PHE A 42 -3.357 -16.121 -3.972 1.00 0.53 H new ATOM 0 HD1 PHE A 42 -4.648 -17.008 -6.077 1.00 0.75 H new ATOM 0 HD2 PHE A 42 -5.335 -13.157 -4.305 1.00 0.80 H new ATOM 0 HE1 PHE A 42 -5.671 -16.218 -8.193 1.00 0.88 H new ATOM 0 HE2 PHE A 42 -6.360 -12.365 -6.419 1.00 0.93 H new ATOM 0 HZ PHE A 42 -6.529 -13.897 -8.364 1.00 0.91 H new ATOM 713 N LEU A 43 -3.989 -17.435 -1.184 1.00 0.45 N ATOM 714 CA LEU A 43 -3.251 -18.477 -0.417 1.00 0.54 C ATOM 715 C LEU A 43 -4.274 -19.451 0.165 1.00 0.51 C ATOM 716 O LEU A 43 -4.130 -20.654 0.065 1.00 0.58 O ATOM 717 CB LEU A 43 -2.458 -17.702 0.662 1.00 0.62 C ATOM 718 CG LEU A 43 -2.888 -18.095 2.083 1.00 0.65 C ATOM 719 CD1 LEU A 43 -2.297 -19.458 2.445 1.00 0.76 C ATOM 720 CD2 LEU A 43 -2.371 -17.046 3.068 1.00 0.74 C ATOM 0 H LEU A 43 -4.054 -16.528 -0.722 1.00 0.45 H new ATOM 0 HA LEU A 43 -2.560 -19.073 -1.013 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -1.393 -17.896 0.539 1.00 0.62 H new ATOM 0 HB3 LEU A 43 -2.605 -16.631 0.521 1.00 0.62 H new ATOM 0 HG LEU A 43 -3.976 -18.150 2.131 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -2.605 -19.732 3.454 1.00 0.76 H new ATOM 0 HD12 LEU A 43 -2.655 -20.208 1.740 1.00 0.76 H new ATOM 0 HD13 LEU A 43 -1.209 -19.407 2.399 1.00 0.76 H new ATOM 0 HD21 LEU A 43 -2.672 -17.317 4.080 1.00 0.74 H new ATOM 0 HD22 LEU A 43 -1.283 -17.000 3.013 1.00 0.74 H new ATOM 0 HD23 LEU A 43 -2.789 -16.072 2.814 1.00 0.74 H new ATOM 732 N LEU A 44 -5.336 -18.935 0.729 1.00 0.46 N ATOM 733 CA LEU A 44 -6.393 -19.827 1.264 1.00 0.51 C ATOM 734 C LEU A 44 -6.989 -20.620 0.097 1.00 0.46 C ATOM 735 O LEU A 44 -7.356 -21.772 0.240 1.00 0.53 O ATOM 736 CB LEU A 44 -7.436 -18.894 1.885 1.00 0.53 C ATOM 737 CG LEU A 44 -7.055 -18.595 3.338 1.00 0.69 C ATOM 738 CD1 LEU A 44 -7.786 -17.338 3.810 1.00 0.78 C ATOM 739 CD2 LEU A 44 -7.456 -19.777 4.219 1.00 0.88 C ATOM 0 H LEU A 44 -5.511 -17.936 0.839 1.00 0.46 H new ATOM 0 HA LEU A 44 -6.025 -20.540 2.002 1.00 0.51 H new ATOM 0 HB2 LEU A 44 -7.495 -17.967 1.315 1.00 0.53 H new ATOM 0 HB3 LEU A 44 -8.422 -19.356 1.844 1.00 0.53 H new ATOM 0 HG LEU A 44 -5.979 -18.435 3.407 1.00 0.69 H new ATOM 0 HD11 LEU A 44 -7.514 -17.126 4.844 1.00 0.78 H new ATOM 0 HD12 LEU A 44 -7.503 -16.495 3.180 1.00 0.78 H new ATOM 0 HD13 LEU A 44 -8.862 -17.496 3.743 1.00 0.78 H new ATOM 0 HD21 LEU A 44 -7.186 -19.567 5.254 1.00 0.88 H new ATOM 0 HD22 LEU A 44 -8.532 -19.934 4.149 1.00 0.88 H new ATOM 0 HD23 LEU A 44 -6.936 -20.674 3.883 1.00 0.88 H new ATOM 751 N LEU A 45 -7.063 -20.012 -1.067 1.00 0.39 N ATOM 752 CA LEU A 45 -7.618 -20.733 -2.251 1.00 0.41 C ATOM 753 C LEU A 45 -6.636 -21.803 -2.724 1.00 0.44 C ATOM 754 O LEU A 45 -7.000 -22.950 -2.913 1.00 0.48 O ATOM 755 CB LEU A 45 -7.814 -19.663 -3.329 1.00 0.44 C ATOM 756 CG LEU A 45 -9.207 -19.048 -3.196 1.00 0.55 C ATOM 757 CD1 LEU A 45 -9.258 -17.729 -3.967 1.00 0.63 C ATOM 758 CD2 LEU A 45 -10.245 -20.012 -3.773 1.00 0.75 C ATOM 0 H LEU A 45 -6.764 -19.053 -1.243 1.00 0.39 H new ATOM 0 HA LEU A 45 -8.554 -21.241 -2.018 1.00 0.41 H new ATOM 0 HB2 LEU A 45 -7.053 -18.889 -3.230 1.00 0.44 H new ATOM 0 HB3 LEU A 45 -7.693 -20.103 -4.319 1.00 0.44 H new ATOM 0 HG LEU A 45 -9.424 -18.864 -2.144 1.00 0.55 H new ATOM 0 HD11 LEU A 45 -10.251 -17.290 -3.872 1.00 0.63 H new ATOM 0 HD12 LEU A 45 -8.517 -17.041 -3.560 1.00 0.63 H new ATOM 0 HD13 LEU A 45 -9.042 -17.914 -5.019 1.00 0.63 H new ATOM 0 HD21 LEU A 45 -11.239 -19.575 -3.679 1.00 0.75 H new ATOM 0 HD22 LEU A 45 -10.027 -20.194 -4.825 1.00 0.75 H new ATOM 0 HD23 LEU A 45 -10.210 -20.954 -3.226 1.00 0.75 H new ATOM 770 N ILE A 46 -5.390 -21.447 -2.886 1.00 0.48 N ATOM 771 CA ILE A 46 -4.378 -22.460 -3.320 1.00 0.59 C ATOM 772 C ILE A 46 -4.274 -23.550 -2.244 1.00 0.64 C ATOM 773 O ILE A 46 -4.151 -24.722 -2.548 1.00 0.70 O ATOM 774 CB ILE A 46 -3.058 -21.686 -3.508 1.00 0.68 C ATOM 775 CG1 ILE A 46 -2.202 -22.402 -4.553 1.00 0.83 C ATOM 776 CG2 ILE A 46 -2.272 -21.599 -2.195 1.00 0.74 C ATOM 777 CD1 ILE A 46 -1.357 -21.376 -5.308 1.00 1.12 C ATOM 0 H ILE A 46 -5.028 -20.505 -2.738 1.00 0.48 H new ATOM 0 HA ILE A 46 -4.643 -22.962 -4.250 1.00 0.59 H new ATOM 0 HB ILE A 46 -3.298 -20.674 -3.835 1.00 0.68 H new ATOM 0 HG12 ILE A 46 -1.557 -23.136 -4.070 1.00 0.83 H new ATOM 0 HG13 ILE A 46 -2.839 -22.947 -5.249 1.00 0.83 H new ATOM 0 HG21 ILE A 46 -1.347 -21.047 -2.361 1.00 0.74 H new ATOM 0 HG22 ILE A 46 -2.872 -21.084 -1.445 1.00 0.74 H new ATOM 0 HG23 ILE A 46 -2.038 -22.604 -1.844 1.00 0.74 H new ATOM 0 HD11 ILE A 46 -0.746 -21.885 -6.053 1.00 1.12 H new ATOM 0 HD12 ILE A 46 -2.012 -20.659 -5.804 1.00 1.12 H new ATOM 0 HD13 ILE A 46 -0.710 -20.851 -4.606 1.00 1.12 H new ATOM 789 N ALA A 47 -4.363 -23.174 -0.986 1.00 0.63 N ATOM 790 CA ALA A 47 -4.310 -24.183 0.109 1.00 0.73 C ATOM 791 C ALA A 47 -5.513 -25.132 -0.013 1.00 0.71 C ATOM 792 O ALA A 47 -5.373 -26.336 0.073 1.00 0.79 O ATOM 793 CB ALA A 47 -4.384 -23.370 1.405 1.00 0.78 C ATOM 0 H ALA A 47 -4.470 -22.208 -0.677 1.00 0.63 H new ATOM 0 HA ALA A 47 -3.410 -24.797 0.076 1.00 0.73 H new ATOM 0 HB1 ALA A 47 -4.350 -24.045 2.260 1.00 0.78 H new ATOM 0 HB2 ALA A 47 -3.540 -22.682 1.452 1.00 0.78 H new ATOM 0 HB3 ALA A 47 -5.315 -22.803 1.426 1.00 0.78 H new ATOM 799 N ILE A 48 -6.693 -24.593 -0.238 1.00 0.63 N ATOM 800 CA ILE A 48 -7.902 -25.462 -0.390 1.00 0.66 C ATOM 801 C ILE A 48 -7.732 -26.375 -1.613 1.00 0.64 C ATOM 802 O ILE A 48 -8.009 -27.559 -1.556 1.00 0.71 O ATOM 803 CB ILE A 48 -9.079 -24.492 -0.585 1.00 0.64 C ATOM 804 CG1 ILE A 48 -9.425 -23.834 0.753 1.00 0.73 C ATOM 805 CG2 ILE A 48 -10.309 -25.250 -1.102 1.00 0.72 C ATOM 806 CD1 ILE A 48 -10.283 -22.591 0.506 1.00 0.77 C ATOM 0 H ILE A 48 -6.867 -23.591 -0.322 1.00 0.63 H new ATOM 0 HA ILE A 48 -8.063 -26.109 0.472 1.00 0.66 H new ATOM 0 HB ILE A 48 -8.792 -23.732 -1.311 1.00 0.64 H new ATOM 0 HG12 ILE A 48 -9.962 -24.539 1.388 1.00 0.73 H new ATOM 0 HG13 ILE A 48 -8.512 -23.559 1.282 1.00 0.73 H new ATOM 0 HG21 ILE A 48 -11.136 -24.553 -1.236 1.00 0.72 H new ATOM 0 HG22 ILE A 48 -10.072 -25.720 -2.056 1.00 0.72 H new ATOM 0 HG23 ILE A 48 -10.594 -26.016 -0.381 1.00 0.72 H new ATOM 0 HD11 ILE A 48 -10.529 -22.123 1.459 1.00 0.77 H new ATOM 0 HD12 ILE A 48 -9.730 -21.884 -0.113 1.00 0.77 H new ATOM 0 HD13 ILE A 48 -11.202 -22.879 -0.005 1.00 0.77 H new ATOM 818 N ILE A 49 -7.269 -25.830 -2.714 1.00 0.59 N ATOM 819 CA ILE A 49 -7.070 -26.660 -3.946 1.00 0.65 C ATOM 820 C ILE A 49 -6.096 -27.811 -3.665 1.00 0.74 C ATOM 821 O ILE A 49 -6.254 -28.899 -4.178 1.00 0.81 O ATOM 822 CB ILE A 49 -6.485 -25.702 -4.987 1.00 0.66 C ATOM 823 CG1 ILE A 49 -7.533 -24.655 -5.375 1.00 0.64 C ATOM 824 CG2 ILE A 49 -6.073 -26.482 -6.238 1.00 0.78 C ATOM 825 CD1 ILE A 49 -6.855 -23.501 -6.115 1.00 0.71 C ATOM 0 H ILE A 49 -7.020 -24.846 -2.813 1.00 0.59 H new ATOM 0 HA ILE A 49 -8.001 -27.112 -4.288 1.00 0.65 H new ATOM 0 HB ILE A 49 -5.613 -25.208 -4.560 1.00 0.66 H new ATOM 0 HG12 ILE A 49 -8.297 -25.107 -6.008 1.00 0.64 H new ATOM 0 HG13 ILE A 49 -8.037 -24.282 -4.483 1.00 0.64 H new ATOM 0 HG21 ILE A 49 -5.658 -25.795 -6.975 1.00 0.78 H new ATOM 0 HG22 ILE A 49 -5.322 -27.226 -5.972 1.00 0.78 H new ATOM 0 HG23 ILE A 49 -6.946 -26.981 -6.659 1.00 0.78 H new ATOM 0 HD11 ILE A 49 -7.602 -22.757 -6.391 1.00 0.71 H new ATOM 0 HD12 ILE A 49 -6.108 -23.043 -5.467 1.00 0.71 H new ATOM 0 HD13 ILE A 49 -6.371 -23.880 -7.015 1.00 0.71 H new ATOM 837 N VAL A 50 -5.105 -27.580 -2.842 1.00 0.78 N ATOM 838 CA VAL A 50 -4.129 -28.669 -2.511 1.00 0.92 C ATOM 839 C VAL A 50 -4.889 -29.880 -1.955 1.00 0.95 C ATOM 840 O VAL A 50 -4.650 -31.007 -2.344 1.00 1.04 O ATOM 841 CB VAL A 50 -3.194 -28.073 -1.450 1.00 0.98 C ATOM 842 CG1 VAL A 50 -2.331 -29.180 -0.839 1.00 1.13 C ATOM 843 CG2 VAL A 50 -2.281 -27.029 -2.099 1.00 1.00 C ATOM 0 H VAL A 50 -4.927 -26.686 -2.384 1.00 0.78 H new ATOM 0 HA VAL A 50 -3.568 -29.009 -3.381 1.00 0.92 H new ATOM 0 HB VAL A 50 -3.794 -27.605 -0.670 1.00 0.98 H new ATOM 0 HG11 VAL A 50 -1.669 -28.752 -0.086 1.00 1.13 H new ATOM 0 HG12 VAL A 50 -2.974 -29.927 -0.374 1.00 1.13 H new ATOM 0 HG13 VAL A 50 -1.735 -29.650 -1.621 1.00 1.13 H new ATOM 0 HG21 VAL A 50 -1.618 -26.606 -1.344 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -1.687 -27.501 -2.881 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -2.888 -26.235 -2.534 1.00 1.00 H new ATOM 853 N MET A 51 -5.816 -29.649 -1.058 1.00 0.92 N ATOM 854 CA MET A 51 -6.609 -30.771 -0.487 1.00 0.99 C ATOM 855 C MET A 51 -7.773 -31.147 -1.422 1.00 0.96 C ATOM 856 O MET A 51 -8.373 -32.195 -1.277 1.00 1.05 O ATOM 857 CB MET A 51 -7.136 -30.236 0.847 1.00 1.02 C ATOM 858 CG MET A 51 -5.957 -29.917 1.770 1.00 1.09 C ATOM 859 SD MET A 51 -6.548 -28.976 3.196 1.00 1.14 S ATOM 860 CE MET A 51 -6.880 -27.431 2.315 1.00 0.99 C ATOM 0 H MET A 51 -6.055 -28.725 -0.698 1.00 0.92 H new ATOM 0 HA MET A 51 -6.013 -31.675 -0.361 1.00 0.99 H new ATOM 0 HB2 MET A 51 -7.734 -29.340 0.681 1.00 1.02 H new ATOM 0 HB3 MET A 51 -7.789 -30.973 1.314 1.00 1.02 H new ATOM 0 HG2 MET A 51 -5.480 -30.840 2.101 1.00 1.09 H new ATOM 0 HG3 MET A 51 -5.203 -29.345 1.230 1.00 1.09 H new ATOM 0 HE1 MET A 51 -6.121 -26.693 2.576 1.00 0.99 H new ATOM 0 HE2 MET A 51 -6.855 -27.612 1.240 1.00 0.99 H new ATOM 0 HE3 MET A 51 -7.864 -27.055 2.597 1.00 0.99 H new ATOM 870 N LEU A 52 -8.098 -30.305 -2.381 1.00 0.88 N ATOM 871 CA LEU A 52 -9.222 -30.630 -3.313 1.00 0.91 C ATOM 872 C LEU A 52 -8.704 -30.813 -4.744 1.00 0.94 C ATOM 873 O LEU A 52 -9.334 -30.405 -5.704 1.00 0.98 O ATOM 874 CB LEU A 52 -10.163 -29.429 -3.230 1.00 0.89 C ATOM 875 CG LEU A 52 -11.382 -29.798 -2.386 1.00 1.11 C ATOM 876 CD1 LEU A 52 -11.220 -29.222 -0.980 1.00 1.36 C ATOM 877 CD2 LEU A 52 -12.643 -29.224 -3.034 1.00 1.48 C ATOM 0 H LEU A 52 -7.634 -29.413 -2.555 1.00 0.88 H new ATOM 0 HA LEU A 52 -9.721 -31.561 -3.043 1.00 0.91 H new ATOM 0 HB2 LEU A 52 -9.646 -28.577 -2.789 1.00 0.89 H new ATOM 0 HB3 LEU A 52 -10.476 -29.129 -4.230 1.00 0.89 H new ATOM 0 HG LEU A 52 -11.469 -30.883 -2.325 1.00 1.11 H new ATOM 0 HD11 LEU A 52 -12.089 -29.485 -0.377 1.00 1.36 H new ATOM 0 HD12 LEU A 52 -10.321 -29.633 -0.520 1.00 1.36 H new ATOM 0 HD13 LEU A 52 -11.134 -28.137 -1.039 1.00 1.36 H new ATOM 0 HD21 LEU A 52 -13.513 -29.487 -2.432 1.00 1.48 H new ATOM 0 HD22 LEU A 52 -12.559 -28.139 -3.096 1.00 1.48 H new ATOM 0 HD23 LEU A 52 -12.757 -29.637 -4.036 1.00 1.48 H new ATOM 889 N LEU A 53 -7.561 -31.423 -4.890 1.00 1.00 N ATOM 890 CA LEU A 53 -6.993 -31.638 -6.248 1.00 1.11 C ATOM 891 C LEU A 53 -7.351 -33.037 -6.772 1.00 1.31 C ATOM 892 O LEU A 53 -7.841 -33.118 -7.886 1.00 1.42 O ATOM 893 CB LEU A 53 -5.481 -31.490 -6.068 1.00 1.19 C ATOM 894 CG LEU A 53 -4.873 -30.891 -7.337 1.00 1.30 C ATOM 895 CD1 LEU A 53 -4.399 -29.466 -7.050 1.00 1.47 C ATOM 896 CD2 LEU A 53 -3.683 -31.741 -7.781 1.00 1.76 C ATOM 897 OXT LEU A 53 -7.127 -34.001 -6.054 1.00 1.43 O ATOM 0 H LEU A 53 -6.994 -31.783 -4.123 1.00 1.00 H new ATOM 0 HA LEU A 53 -7.388 -30.930 -6.977 1.00 1.11 H new ATOM 0 HB2 LEU A 53 -5.267 -30.850 -5.212 1.00 1.19 H new ATOM 0 HB3 LEU A 53 -5.032 -32.461 -5.860 1.00 1.19 H new ATOM 0 HG LEU A 53 -5.624 -30.874 -8.127 1.00 1.30 H new ATOM 0 HD11 LEU A 53 -3.965 -29.038 -7.954 1.00 1.47 H new ATOM 0 HD12 LEU A 53 -5.246 -28.858 -6.731 1.00 1.47 H new ATOM 0 HD13 LEU A 53 -3.648 -29.485 -6.261 1.00 1.47 H new ATOM 0 HD21 LEU A 53 -3.249 -31.315 -8.685 1.00 1.76 H new ATOM 0 HD22 LEU A 53 -2.932 -31.757 -6.991 1.00 1.76 H new ATOM 0 HD23 LEU A 53 -4.018 -32.758 -7.984 1.00 1.76 H new TER 909 LEU A 53