USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 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 14 CYS SG : rot 180:sc= 0.105 USER MOD Set 1.2: A 16 ASN : amide:sc= -0.0264 X(o=0.33,f=0.46) USER MOD Set 1.3: A 17 CYS SG : rot -123:sc= 0.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.125 (180deg=-0.0752) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.443 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00793 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.101 (180deg=-0.522) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.106 F(o=-1.1,f=-0.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00115 K(o=-0.0012,f=-0.94) USER MOD Single : A 41 SER OG : rot 25:sc= 1.02 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.000933 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.16 K(o=1.2,f=-0.14) USER MOD Single : A 53 GLN : amide:sc= -0.807 K(o=-0.81,f=-2.4!) USER MOD Single : A 56 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.083) USER MOD Single : A 62 HIS : no HE2:sc= 0.698 K(o=0.7,f=-3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.998 -7.130 -13.793 1.00 8.49 N ATOM 2 CA MET A 1 -13.328 -7.528 -13.303 1.00 7.36 C ATOM 3 C MET A 1 -13.149 -8.013 -11.871 1.00 5.72 C ATOM 4 O MET A 1 -12.119 -8.628 -11.612 1.00 5.74 O ATOM 5 CB MET A 1 -13.965 -8.620 -14.177 1.00 8.17 C ATOM 6 CG MET A 1 -13.015 -9.777 -14.536 1.00 8.74 C ATOM 7 SD MET A 1 -13.820 -11.388 -14.721 1.00 9.49 S ATOM 8 CE MET A 1 -12.397 -12.382 -15.225 1.00 10.90 C ATOM 0 H1 MET A 1 -11.918 -7.358 -14.805 1.00 8.49 H new ATOM 0 H2 MET A 1 -11.870 -6.107 -13.657 1.00 8.49 H new ATOM 0 H3 MET A 1 -11.265 -7.644 -13.264 1.00 8.49 H new ATOM 0 HA MET A 1 -14.008 -6.677 -13.347 1.00 7.36 H new ATOM 0 HB2 MET A 1 -14.833 -9.026 -13.657 1.00 8.17 H new ATOM 0 HB3 MET A 1 -14.330 -8.165 -15.098 1.00 8.17 H new ATOM 0 HG2 MET A 1 -12.503 -9.533 -15.467 1.00 8.74 H new ATOM 0 HG3 MET A 1 -12.251 -9.855 -13.763 1.00 8.74 H new ATOM 0 HE1 MET A 1 -12.712 -13.413 -15.384 1.00 10.90 H new ATOM 0 HE2 MET A 1 -11.983 -11.982 -16.151 1.00 10.90 H new ATOM 0 HE3 MET A 1 -11.637 -12.351 -14.445 1.00 10.90 H new ATOM 20 N ALA A 2 -14.098 -7.704 -10.980 1.00 5.03 N ATOM 21 CA ALA A 2 -14.010 -8.017 -9.557 1.00 4.26 C ATOM 22 C ALA A 2 -12.621 -7.665 -8.991 1.00 2.85 C ATOM 23 O ALA A 2 -12.057 -6.659 -9.420 1.00 3.66 O ATOM 24 CB ALA A 2 -14.461 -9.465 -9.332 1.00 5.16 C ATOM 0 H ALA A 2 -14.960 -7.222 -11.235 1.00 5.03 H new ATOM 0 HA ALA A 2 -14.693 -7.391 -8.982 1.00 4.26 H new ATOM 0 HB1 ALA A 2 -14.398 -9.705 -8.271 1.00 5.16 H new ATOM 0 HB2 ALA A 2 -15.491 -9.582 -9.670 1.00 5.16 H new ATOM 0 HB3 ALA A 2 -13.816 -10.139 -9.896 1.00 5.16 H new ATOM 30 N GLU A 3 -12.107 -8.458 -8.043 1.00 1.70 N ATOM 31 CA GLU A 3 -10.807 -8.378 -7.372 1.00 1.04 C ATOM 32 C GLU A 3 -10.107 -7.015 -7.479 1.00 0.86 C ATOM 33 O GLU A 3 -8.990 -6.898 -7.993 1.00 1.47 O ATOM 34 CB GLU A 3 -9.945 -9.566 -7.830 1.00 2.73 C ATOM 35 CG GLU A 3 -10.207 -10.854 -7.026 1.00 3.82 C ATOM 36 CD GLU A 3 -11.678 -11.174 -6.784 1.00 4.23 C ATOM 37 OE1 GLU A 3 -12.454 -11.080 -7.759 1.00 4.35 O ATOM 38 OE2 GLU A 3 -12.021 -11.439 -5.614 1.00 4.98 O ATOM 0 H GLU A 3 -12.646 -9.250 -7.693 1.00 1.70 H new ATOM 0 HA GLU A 3 -10.975 -8.456 -6.298 1.00 1.04 H new ATOM 0 HB2 GLU A 3 -10.136 -9.759 -8.885 1.00 2.73 H new ATOM 0 HB3 GLU A 3 -8.892 -9.298 -7.741 1.00 2.73 H new ATOM 0 HG2 GLU A 3 -9.750 -11.692 -7.552 1.00 3.82 H new ATOM 0 HG3 GLU A 3 -9.705 -10.771 -6.062 1.00 3.82 H new ATOM 45 N LYS A 4 -10.771 -5.997 -6.922 1.00 0.76 N ATOM 46 CA LYS A 4 -10.307 -4.625 -6.788 1.00 0.65 C ATOM 47 C LYS A 4 -10.724 -4.129 -5.408 1.00 0.58 C ATOM 48 O LYS A 4 -11.873 -4.323 -5.007 1.00 0.66 O ATOM 49 CB LYS A 4 -10.881 -3.721 -7.897 1.00 1.05 C ATOM 50 CG LYS A 4 -12.381 -3.906 -8.205 1.00 1.47 C ATOM 51 CD LYS A 4 -13.235 -2.633 -8.078 1.00 2.24 C ATOM 52 CE LYS A 4 -13.535 -2.285 -6.611 1.00 3.43 C ATOM 53 NZ LYS A 4 -14.534 -1.202 -6.481 1.00 4.64 N ATOM 0 H LYS A 4 -11.704 -6.124 -6.530 1.00 0.76 H new ATOM 0 HA LYS A 4 -9.223 -4.590 -6.893 1.00 0.65 H new ATOM 0 HB2 LYS A 4 -10.713 -2.681 -7.616 1.00 1.05 H new ATOM 0 HB3 LYS A 4 -10.317 -3.899 -8.813 1.00 1.05 H new ATOM 0 HG2 LYS A 4 -12.483 -4.293 -9.219 1.00 1.47 H new ATOM 0 HG3 LYS A 4 -12.783 -4.663 -7.532 1.00 1.47 H new ATOM 0 HD2 LYS A 4 -12.715 -1.799 -8.549 1.00 2.24 H new ATOM 0 HD3 LYS A 4 -14.172 -2.770 -8.617 1.00 2.24 H new ATOM 0 HE2 LYS A 4 -13.899 -3.175 -6.097 1.00 3.43 H new ATOM 0 HE3 LYS A 4 -12.612 -1.985 -6.115 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 -14.702 -1.004 -5.474 1.00 4.64 H new ATOM 0 HZ2 LYS A 4 -14.178 -0.344 -6.948 1.00 4.64 H new ATOM 0 HZ3 LYS A 4 -15.425 -1.496 -6.930 1.00 4.64 H new ATOM 67 N THR A 5 -9.822 -3.486 -4.667 1.00 0.49 N ATOM 68 CA THR A 5 -10.133 -2.867 -3.387 1.00 0.43 C ATOM 69 C THR A 5 -9.207 -1.692 -3.213 1.00 0.37 C ATOM 70 O THR A 5 -8.128 -1.659 -3.806 1.00 0.43 O ATOM 71 CB THR A 5 -9.957 -3.863 -2.230 1.00 0.44 C ATOM 72 OG1 THR A 5 -10.785 -4.944 -2.529 1.00 0.58 O ATOM 73 CG2 THR A 5 -10.421 -3.320 -0.872 1.00 0.49 C ATOM 0 H THR A 5 -8.846 -3.381 -4.945 1.00 0.49 H new ATOM 0 HA THR A 5 -11.174 -2.543 -3.375 1.00 0.43 H new ATOM 0 HB THR A 5 -8.897 -4.101 -2.144 1.00 0.44 H new ATOM 0 HG1 THR A 5 -10.712 -5.617 -1.821 1.00 0.58 H new ATOM 0 HG21 THR A 5 -10.266 -4.078 -0.105 1.00 0.49 H new ATOM 0 HG22 THR A 5 -9.847 -2.428 -0.622 1.00 0.49 H new ATOM 0 HG23 THR A 5 -11.480 -3.067 -0.924 1.00 0.49 H new ATOM 81 N VAL A 6 -9.626 -0.738 -2.389 1.00 0.38 N ATOM 82 CA VAL A 6 -8.761 0.309 -1.942 1.00 0.34 C ATOM 83 C VAL A 6 -8.963 0.563 -0.455 1.00 0.30 C ATOM 84 O VAL A 6 -10.083 0.470 0.041 1.00 0.36 O ATOM 85 CB VAL A 6 -8.947 1.519 -2.867 1.00 0.38 C ATOM 86 CG1 VAL A 6 -10.402 1.894 -3.157 1.00 0.42 C ATOM 87 CG2 VAL A 6 -8.218 2.777 -2.390 1.00 0.37 C ATOM 0 H VAL A 6 -10.576 -0.683 -2.022 1.00 0.38 H new ATOM 0 HA VAL A 6 -7.709 0.036 -2.017 1.00 0.34 H new ATOM 0 HB VAL A 6 -8.496 1.163 -3.793 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -10.430 2.760 -3.819 1.00 0.42 H new ATOM 0 HG12 VAL A 6 -10.905 1.055 -3.637 1.00 0.42 H new ATOM 0 HG13 VAL A 6 -10.909 2.135 -2.223 1.00 0.42 H new ATOM 0 HG21 VAL A 6 -8.396 3.590 -3.094 1.00 0.37 H new ATOM 0 HG22 VAL A 6 -8.590 3.062 -1.406 1.00 0.37 H new ATOM 0 HG23 VAL A 6 -7.148 2.577 -2.330 1.00 0.37 H new ATOM 97 N TYR A 7 -7.855 0.794 0.253 1.00 0.28 N ATOM 98 CA TYR A 7 -7.794 0.878 1.705 1.00 0.28 C ATOM 99 C TYR A 7 -7.157 2.215 2.078 1.00 0.32 C ATOM 100 O TYR A 7 -6.284 2.694 1.359 1.00 0.42 O ATOM 101 CB TYR A 7 -6.941 -0.275 2.244 1.00 0.31 C ATOM 102 CG TYR A 7 -7.384 -1.679 1.879 1.00 0.42 C ATOM 103 CD1 TYR A 7 -7.044 -2.223 0.623 1.00 1.57 C ATOM 104 CD2 TYR A 7 -7.918 -2.517 2.876 1.00 2.18 C ATOM 105 CE1 TYR A 7 -7.243 -3.591 0.368 1.00 1.48 C ATOM 106 CE2 TYR A 7 -8.117 -3.883 2.619 1.00 2.32 C ATOM 107 CZ TYR A 7 -7.772 -4.421 1.371 1.00 0.73 C ATOM 108 OH TYR A 7 -7.716 -5.774 1.228 1.00 0.93 O ATOM 0 H TYR A 7 -6.946 0.932 -0.189 1.00 0.28 H new ATOM 0 HA TYR A 7 -8.793 0.808 2.135 1.00 0.28 H new ATOM 0 HB2 TYR A 7 -5.920 -0.137 1.889 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -6.914 -0.199 3.331 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -6.630 -1.587 -0.145 1.00 1.57 H new ATOM 0 HD2 TYR A 7 -8.175 -2.108 3.842 1.00 2.18 H new ATOM 0 HE1 TYR A 7 -6.990 -4.004 -0.597 1.00 1.48 H new ATOM 0 HE2 TYR A 7 -8.536 -4.520 3.384 1.00 2.32 H new ATOM 0 HH TYR A 7 -8.124 -6.203 2.009 1.00 0.93 H new ATOM 118 N ARG A 8 -7.577 2.831 3.181 1.00 0.27 N ATOM 119 CA ARG A 8 -7.114 4.147 3.579 1.00 0.27 C ATOM 120 C ARG A 8 -5.814 4.013 4.362 1.00 0.20 C ATOM 121 O ARG A 8 -5.799 3.275 5.345 1.00 0.26 O ATOM 122 CB ARG A 8 -8.186 4.785 4.468 1.00 0.46 C ATOM 123 CG ARG A 8 -8.186 6.296 4.281 1.00 1.18 C ATOM 124 CD ARG A 8 -9.066 6.948 5.349 1.00 1.59 C ATOM 125 NE ARG A 8 -9.954 7.934 4.729 1.00 1.83 N ATOM 126 CZ ARG A 8 -10.022 9.251 4.938 1.00 2.73 C ATOM 127 NH1 ARG A 8 -9.236 9.848 5.843 1.00 3.64 N ATOM 128 NH2 ARG A 8 -10.900 9.952 4.213 1.00 3.53 N ATOM 0 H ARG A 8 -8.254 2.422 3.825 1.00 0.27 H new ATOM 0 HA ARG A 8 -6.936 4.767 2.700 1.00 0.27 H new ATOM 0 HB2 ARG A 8 -9.166 4.379 4.218 1.00 0.46 H new ATOM 0 HB3 ARG A 8 -7.997 4.540 5.513 1.00 0.46 H new ATOM 0 HG2 ARG A 8 -7.168 6.681 4.350 1.00 1.18 H new ATOM 0 HG3 ARG A 8 -8.556 6.549 3.287 1.00 1.18 H new ATOM 0 HD2 ARG A 8 -9.655 6.187 5.862 1.00 1.59 H new ATOM 0 HD3 ARG A 8 -8.442 7.430 6.102 1.00 1.59 H new ATOM 0 HE ARG A 8 -10.611 7.563 4.043 1.00 1.83 H new ATOM 0 HH11 ARG A 8 -8.572 9.295 6.386 1.00 3.64 H new ATOM 0 HH12 ARG A 8 -9.301 10.855 5.990 1.00 3.64 H new ATOM 0 HH21 ARG A 8 -11.489 9.478 3.528 1.00 3.53 H new ATOM 0 HH22 ARG A 8 -10.981 10.960 4.345 1.00 3.53 H new ATOM 142 N VAL A 9 -4.742 4.701 3.948 1.00 0.30 N ATOM 143 CA VAL A 9 -3.437 4.621 4.598 1.00 0.37 C ATOM 144 C VAL A 9 -3.062 5.977 5.193 1.00 0.45 C ATOM 145 O VAL A 9 -3.170 7.001 4.519 1.00 0.61 O ATOM 146 CB VAL A 9 -2.366 4.057 3.643 1.00 0.48 C ATOM 147 CG1 VAL A 9 -2.315 4.745 2.275 1.00 0.51 C ATOM 148 CG2 VAL A 9 -0.981 4.120 4.288 1.00 0.64 C ATOM 0 H VAL A 9 -4.761 5.332 3.147 1.00 0.30 H new ATOM 0 HA VAL A 9 -3.494 3.914 5.426 1.00 0.37 H new ATOM 0 HB VAL A 9 -2.661 3.023 3.464 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -1.535 4.287 1.666 1.00 0.51 H new ATOM 0 HG12 VAL A 9 -3.277 4.633 1.776 1.00 0.51 H new ATOM 0 HG13 VAL A 9 -2.096 5.804 2.408 1.00 0.51 H new ATOM 0 HG21 VAL A 9 -0.240 3.717 3.598 1.00 0.64 H new ATOM 0 HG22 VAL A 9 -0.735 5.156 4.521 1.00 0.64 H new ATOM 0 HG23 VAL A 9 -0.980 3.532 5.206 1.00 0.64 H new ATOM 158 N ASP A 10 -2.610 5.955 6.452 1.00 0.43 N ATOM 159 CA ASP A 10 -2.289 7.125 7.251 1.00 0.43 C ATOM 160 C ASP A 10 -0.956 6.884 7.957 1.00 0.44 C ATOM 161 O ASP A 10 -0.463 5.754 8.001 1.00 0.59 O ATOM 162 CB ASP A 10 -3.415 7.365 8.271 1.00 0.58 C ATOM 163 CG ASP A 10 -4.591 8.116 7.653 1.00 1.56 C ATOM 164 OD1 ASP A 10 -4.438 9.346 7.490 1.00 2.20 O ATOM 165 OD2 ASP A 10 -5.620 7.464 7.371 1.00 3.09 O ATOM 0 H ASP A 10 -2.454 5.082 6.955 1.00 0.43 H new ATOM 0 HA ASP A 10 -2.201 8.010 6.620 1.00 0.43 H new ATOM 0 HB2 ASP A 10 -3.760 6.408 8.662 1.00 0.58 H new ATOM 0 HB3 ASP A 10 -3.025 7.933 9.116 1.00 0.58 H new ATOM 170 N GLY A 11 -0.373 7.949 8.516 1.00 0.51 N ATOM 171 CA GLY A 11 0.890 7.923 9.242 1.00 0.55 C ATOM 172 C GLY A 11 2.042 8.433 8.376 1.00 0.65 C ATOM 173 O GLY A 11 2.808 9.289 8.809 1.00 1.31 O ATOM 0 H GLY A 11 -0.785 8.881 8.471 1.00 0.51 H new ATOM 0 HA2 GLY A 11 0.808 8.536 10.139 1.00 0.55 H new ATOM 0 HA3 GLY A 11 1.102 6.905 9.570 1.00 0.55 H new ATOM 177 N LEU A 12 2.160 7.879 7.170 1.00 0.74 N ATOM 178 CA LEU A 12 3.207 8.199 6.208 1.00 0.91 C ATOM 179 C LEU A 12 3.248 9.679 5.824 1.00 0.85 C ATOM 180 O LEU A 12 2.249 10.385 5.967 1.00 1.09 O ATOM 181 CB LEU A 12 3.045 7.322 4.960 1.00 1.44 C ATOM 182 CG LEU A 12 1.845 7.604 4.029 1.00 1.81 C ATOM 183 CD1 LEU A 12 0.487 7.783 4.715 1.00 2.64 C ATOM 184 CD2 LEU A 12 2.096 8.737 3.027 1.00 3.25 C ATOM 0 H LEU A 12 1.508 7.173 6.827 1.00 0.74 H new ATOM 0 HA LEU A 12 4.161 7.988 6.692 1.00 0.91 H new ATOM 0 HB2 LEU A 12 3.956 7.411 4.368 1.00 1.44 H new ATOM 0 HB3 LEU A 12 2.978 6.284 5.287 1.00 1.44 H new ATOM 0 HG LEU A 12 1.770 6.667 3.477 1.00 1.81 H new ATOM 0 HD11 LEU A 12 -0.278 7.976 3.963 1.00 2.64 H new ATOM 0 HD12 LEU A 12 0.235 6.876 5.265 1.00 2.64 H new ATOM 0 HD13 LEU A 12 0.536 8.625 5.406 1.00 2.64 H new ATOM 0 HD21 LEU A 12 1.210 8.878 2.407 1.00 3.25 H new ATOM 0 HD22 LEU A 12 2.311 9.659 3.567 1.00 3.25 H new ATOM 0 HD23 LEU A 12 2.945 8.481 2.393 1.00 3.25 H new ATOM 196 N SER A 13 4.378 10.132 5.265 1.00 1.02 N ATOM 197 CA SER A 13 4.525 11.510 4.804 1.00 1.33 C ATOM 198 C SER A 13 5.836 11.743 4.035 1.00 0.99 C ATOM 199 O SER A 13 6.550 12.698 4.334 1.00 1.32 O ATOM 200 CB SER A 13 4.403 12.461 6.013 1.00 2.08 C ATOM 201 OG SER A 13 5.188 11.988 7.094 1.00 3.17 O ATOM 0 H SER A 13 5.207 9.555 5.122 1.00 1.02 H new ATOM 0 HA SER A 13 3.726 11.719 4.093 1.00 1.33 H new ATOM 0 HB2 SER A 13 4.727 13.462 5.730 1.00 2.08 H new ATOM 0 HB3 SER A 13 3.360 12.538 6.319 1.00 2.08 H new ATOM 0 HG SER A 13 5.103 12.602 7.853 1.00 3.17 H new ATOM 207 N CYS A 14 6.171 10.924 3.021 1.00 0.71 N ATOM 208 CA CYS A 14 7.409 11.161 2.270 1.00 0.77 C ATOM 209 C CYS A 14 7.437 10.477 0.899 1.00 0.77 C ATOM 210 O CYS A 14 6.941 9.362 0.748 1.00 0.64 O ATOM 211 CB CYS A 14 8.620 10.738 3.114 1.00 1.02 C ATOM 212 SG CYS A 14 9.977 11.884 2.797 1.00 2.00 S ATOM 0 H CYS A 14 5.622 10.121 2.714 1.00 0.71 H new ATOM 0 HA CYS A 14 7.454 12.231 2.068 1.00 0.77 H new ATOM 0 HB2 CYS A 14 8.362 10.742 4.173 1.00 1.02 H new ATOM 0 HB3 CYS A 14 8.919 9.720 2.862 1.00 1.02 H new ATOM 0 HG CYS A 14 11.010 11.540 3.507 1.00 2.00 H new ATOM 218 N THR A 15 8.022 11.132 -0.110 1.00 1.09 N ATOM 219 CA THR A 15 8.069 10.643 -1.484 1.00 1.15 C ATOM 220 C THR A 15 8.859 9.337 -1.592 1.00 1.00 C ATOM 221 O THR A 15 8.395 8.367 -2.185 1.00 0.92 O ATOM 222 CB THR A 15 8.675 11.738 -2.373 1.00 1.44 C ATOM 223 OG1 THR A 15 8.119 12.984 -2.004 1.00 1.82 O ATOM 224 CG2 THR A 15 8.423 11.473 -3.860 1.00 1.53 C ATOM 0 H THR A 15 8.483 12.033 0.012 1.00 1.09 H new ATOM 0 HA THR A 15 7.057 10.418 -1.820 1.00 1.15 H new ATOM 0 HB THR A 15 9.755 11.743 -2.225 1.00 1.44 H new ATOM 0 HG1 THR A 15 8.501 13.691 -2.565 1.00 1.82 H new ATOM 0 HG21 THR A 15 8.869 12.272 -4.453 1.00 1.53 H new ATOM 0 HG22 THR A 15 8.871 10.520 -4.141 1.00 1.53 H new ATOM 0 HG23 THR A 15 7.350 11.438 -4.047 1.00 1.53 H new ATOM 232 N ASN A 16 10.063 9.294 -1.016 1.00 0.99 N ATOM 233 CA ASN A 16 10.856 8.073 -0.969 1.00 0.90 C ATOM 234 C ASN A 16 10.058 6.935 -0.330 1.00 0.71 C ATOM 235 O ASN A 16 10.092 5.809 -0.820 1.00 0.66 O ATOM 236 CB ASN A 16 12.206 8.291 -0.274 1.00 1.03 C ATOM 237 CG ASN A 16 12.051 9.031 1.048 1.00 2.60 C ATOM 238 OD1 ASN A 16 11.612 8.468 2.042 1.00 4.46 O ATOM 239 ND2 ASN A 16 12.359 10.323 1.044 1.00 2.92 N ATOM 0 H ASN A 16 10.508 10.099 -0.574 1.00 0.99 H new ATOM 0 HA ASN A 16 11.084 7.784 -1.995 1.00 0.90 H new ATOM 0 HB2 ASN A 16 12.683 7.327 -0.097 1.00 1.03 H new ATOM 0 HB3 ASN A 16 12.866 8.857 -0.932 1.00 1.03 H new ATOM 0 HD21 ASN A 16 12.232 10.880 1.889 1.00 2.92 H new ATOM 0 HD22 ASN A 16 12.723 10.758 0.196 1.00 2.92 H new ATOM 246 N CYS A 17 9.302 7.225 0.730 1.00 0.64 N ATOM 247 CA CYS A 17 8.430 6.228 1.332 1.00 0.51 C ATOM 248 C CYS A 17 7.331 5.810 0.357 1.00 0.52 C ATOM 249 O CYS A 17 7.046 4.621 0.229 1.00 0.47 O ATOM 250 CB CYS A 17 7.811 6.718 2.637 1.00 0.54 C ATOM 251 SG CYS A 17 9.043 6.842 3.947 1.00 0.95 S ATOM 0 H CYS A 17 9.279 8.138 1.184 1.00 0.64 H new ATOM 0 HA CYS A 17 9.051 5.363 1.564 1.00 0.51 H new ATOM 0 HB2 CYS A 17 7.348 7.692 2.478 1.00 0.54 H new ATOM 0 HB3 CYS A 17 7.019 6.035 2.944 1.00 0.54 H new ATOM 0 HG CYS A 17 8.677 6.110 4.957 1.00 0.95 H new ATOM 257 N ALA A 18 6.719 6.768 -0.348 1.00 0.64 N ATOM 258 CA ALA A 18 5.742 6.469 -1.391 1.00 0.74 C ATOM 259 C ALA A 18 6.323 5.461 -2.385 1.00 0.66 C ATOM 260 O ALA A 18 5.692 4.455 -2.705 1.00 0.64 O ATOM 261 CB ALA A 18 5.302 7.750 -2.114 1.00 0.96 C ATOM 0 H ALA A 18 6.888 7.764 -0.210 1.00 0.64 H new ATOM 0 HA ALA A 18 4.862 6.030 -0.922 1.00 0.74 H new ATOM 0 HB1 ALA A 18 4.574 7.500 -2.886 1.00 0.96 H new ATOM 0 HB2 ALA A 18 4.850 8.435 -1.397 1.00 0.96 H new ATOM 0 HB3 ALA A 18 6.169 8.225 -2.573 1.00 0.96 H new ATOM 267 N ALA A 19 7.548 5.739 -2.845 1.00 0.69 N ATOM 268 CA ALA A 19 8.268 4.895 -3.789 1.00 0.72 C ATOM 269 C ALA A 19 8.488 3.502 -3.196 1.00 0.62 C ATOM 270 O ALA A 19 8.154 2.489 -3.805 1.00 0.60 O ATOM 271 CB ALA A 19 9.594 5.552 -4.186 1.00 0.86 C ATOM 0 H ALA A 19 8.069 6.570 -2.564 1.00 0.69 H new ATOM 0 HA ALA A 19 7.669 4.781 -4.692 1.00 0.72 H new ATOM 0 HB1 ALA A 19 10.121 4.910 -4.892 1.00 0.86 H new ATOM 0 HB2 ALA A 19 9.397 6.518 -4.651 1.00 0.86 H new ATOM 0 HB3 ALA A 19 10.209 5.696 -3.298 1.00 0.86 H new ATOM 277 N LYS A 20 9.033 3.450 -1.979 1.00 0.59 N ATOM 278 CA LYS A 20 9.206 2.207 -1.244 1.00 0.59 C ATOM 279 C LYS A 20 7.891 1.418 -1.232 1.00 0.49 C ATOM 280 O LYS A 20 7.887 0.213 -1.469 1.00 0.54 O ATOM 281 CB LYS A 20 9.685 2.537 0.174 1.00 0.69 C ATOM 282 CG LYS A 20 10.101 1.314 0.995 1.00 0.98 C ATOM 283 CD LYS A 20 11.447 0.735 0.542 1.00 1.18 C ATOM 284 CE LYS A 20 12.093 -0.114 1.647 1.00 1.73 C ATOM 285 NZ LYS A 20 12.441 0.691 2.840 1.00 2.55 N ATOM 0 H LYS A 20 9.366 4.274 -1.479 1.00 0.59 H new ATOM 0 HA LYS A 20 9.955 1.580 -1.727 1.00 0.59 H new ATOM 0 HB2 LYS A 20 10.530 3.222 0.110 1.00 0.69 H new ATOM 0 HB3 LYS A 20 8.889 3.061 0.702 1.00 0.69 H new ATOM 0 HG2 LYS A 20 10.164 1.591 2.047 1.00 0.98 H new ATOM 0 HG3 LYS A 20 9.332 0.546 0.912 1.00 0.98 H new ATOM 0 HD2 LYS A 20 11.301 0.125 -0.349 1.00 1.18 H new ATOM 0 HD3 LYS A 20 12.119 1.547 0.265 1.00 1.18 H new ATOM 0 HE2 LYS A 20 11.409 -0.912 1.936 1.00 1.73 H new ATOM 0 HE3 LYS A 20 12.993 -0.591 1.257 1.00 1.73 H new ATOM 0 HZ1 LYS A 20 13.180 0.203 3.385 1.00 2.55 H new ATOM 0 HZ2 LYS A 20 12.791 1.623 2.540 1.00 2.55 H new ATOM 0 HZ3 LYS A 20 11.597 0.813 3.435 1.00 2.55 H new ATOM 299 N PHE A 21 6.775 2.101 -0.967 1.00 0.44 N ATOM 300 CA PHE A 21 5.469 1.469 -0.927 1.00 0.47 C ATOM 301 C PHE A 21 5.066 0.924 -2.300 1.00 0.51 C ATOM 302 O PHE A 21 4.821 -0.278 -2.400 1.00 0.53 O ATOM 303 CB PHE A 21 4.411 2.406 -0.331 1.00 0.49 C ATOM 304 CG PHE A 21 3.508 1.710 0.666 1.00 0.71 C ATOM 305 CD1 PHE A 21 4.004 1.462 1.956 1.00 1.64 C ATOM 306 CD2 PHE A 21 2.178 1.373 0.356 1.00 2.21 C ATOM 307 CE1 PHE A 21 3.157 0.971 2.956 1.00 1.70 C ATOM 308 CE2 PHE A 21 1.312 0.951 1.382 1.00 2.51 C ATOM 309 CZ PHE A 21 1.806 0.743 2.679 1.00 1.46 C ATOM 0 H PHE A 21 6.759 3.103 -0.776 1.00 0.44 H new ATOM 0 HA PHE A 21 5.535 0.609 -0.260 1.00 0.47 H new ATOM 0 HB2 PHE A 21 4.908 3.244 0.158 1.00 0.49 H new ATOM 0 HB3 PHE A 21 3.805 2.821 -1.136 1.00 0.49 H new ATOM 0 HD1 PHE A 21 5.044 1.651 2.178 1.00 1.64 H new ATOM 0 HD2 PHE A 21 1.824 1.438 -0.662 1.00 2.21 H new ATOM 0 HE1 PHE A 21 3.547 0.768 3.942 1.00 1.70 H new ATOM 0 HE2 PHE A 21 0.266 0.787 1.171 1.00 2.51 H new ATOM 0 HZ PHE A 21 1.143 0.407 3.462 1.00 1.46 H new ATOM 319 N GLU A 22 4.990 1.763 -3.352 1.00 0.57 N ATOM 320 CA GLU A 22 4.548 1.279 -4.668 1.00 0.66 C ATOM 321 C GLU A 22 5.373 0.059 -5.047 1.00 0.54 C ATOM 322 O GLU A 22 4.825 -0.953 -5.469 1.00 0.53 O ATOM 323 CB GLU A 22 4.578 2.340 -5.799 1.00 0.88 C ATOM 324 CG GLU A 22 5.934 2.942 -6.218 1.00 0.99 C ATOM 325 CD GLU A 22 6.799 2.170 -7.243 1.00 2.02 C ATOM 326 OE1 GLU A 22 6.211 1.738 -8.255 1.00 2.21 O ATOM 327 OE2 GLU A 22 8.047 2.072 -7.093 1.00 3.53 O ATOM 0 H GLU A 22 5.223 2.755 -3.316 1.00 0.57 H new ATOM 0 HA GLU A 22 3.494 1.021 -4.566 1.00 0.66 H new ATOM 0 HB2 GLU A 22 4.129 1.891 -6.685 1.00 0.88 H new ATOM 0 HB3 GLU A 22 3.931 3.163 -5.496 1.00 0.88 H new ATOM 0 HG2 GLU A 22 5.744 3.935 -6.625 1.00 0.99 H new ATOM 0 HG3 GLU A 22 6.530 3.076 -5.315 1.00 0.99 H new ATOM 334 N ARG A 23 6.686 0.153 -4.844 1.00 0.51 N ATOM 335 CA ARG A 23 7.619 -0.900 -5.177 1.00 0.54 C ATOM 336 C ARG A 23 7.321 -2.164 -4.388 1.00 0.47 C ATOM 337 O ARG A 23 7.064 -3.205 -4.982 1.00 0.47 O ATOM 338 CB ARG A 23 9.032 -0.418 -4.834 1.00 0.70 C ATOM 339 CG ARG A 23 10.081 -1.269 -5.556 1.00 0.91 C ATOM 340 CD ARG A 23 11.105 -0.360 -6.231 1.00 1.15 C ATOM 341 NE ARG A 23 10.422 0.608 -7.112 1.00 2.76 N ATOM 342 CZ ARG A 23 10.981 1.326 -8.084 1.00 3.49 C ATOM 343 NH1 ARG A 23 12.276 1.158 -8.389 1.00 2.84 N ATOM 344 NH2 ARG A 23 10.200 2.206 -8.712 1.00 5.54 N ATOM 0 H ARG A 23 7.129 0.977 -4.438 1.00 0.51 H new ATOM 0 HA ARG A 23 7.531 -1.130 -6.239 1.00 0.54 H new ATOM 0 HB2 ARG A 23 9.145 0.628 -5.120 1.00 0.70 H new ATOM 0 HB3 ARG A 23 9.190 -0.473 -3.757 1.00 0.70 H new ATOM 0 HG2 ARG A 23 10.579 -1.929 -4.846 1.00 0.91 H new ATOM 0 HG3 ARG A 23 9.599 -1.905 -6.299 1.00 0.91 H new ATOM 0 HD2 ARG A 23 11.685 0.170 -5.476 1.00 1.15 H new ATOM 0 HD3 ARG A 23 11.808 -0.958 -6.811 1.00 1.15 H new ATOM 0 HE ARG A 23 9.422 0.740 -6.961 1.00 2.76 H new ATOM 0 HH11 ARG A 23 12.837 0.478 -7.876 1.00 2.84 H new ATOM 0 HH12 ARG A 23 12.700 1.710 -9.134 1.00 2.84 H new ATOM 0 HH21 ARG A 23 9.222 2.305 -8.440 1.00 5.54 H new ATOM 0 HH22 ARG A 23 10.581 2.780 -9.464 1.00 5.54 H new ATOM 358 N ASN A 24 7.355 -2.074 -3.055 1.00 0.46 N ATOM 359 CA ASN A 24 7.116 -3.218 -2.193 1.00 0.45 C ATOM 360 C ASN A 24 5.833 -3.917 -2.638 1.00 0.46 C ATOM 361 O ASN A 24 5.814 -5.132 -2.803 1.00 0.46 O ATOM 362 CB ASN A 24 6.960 -2.788 -0.730 1.00 0.47 C ATOM 363 CG ASN A 24 8.260 -2.618 0.056 1.00 0.78 C ATOM 364 OD1 ASN A 24 8.177 -2.811 1.373 1.00 1.61 O flip ATOM 365 ND2 ASN A 24 9.324 -2.331 -0.482 1.00 1.03 N flip ATOM 0 H ASN A 24 7.549 -1.208 -2.553 1.00 0.46 H new ATOM 0 HA ASN A 24 7.971 -3.890 -2.269 1.00 0.45 H new ATOM 0 HB2 ASN A 24 6.416 -1.844 -0.705 1.00 0.47 H new ATOM 0 HB3 ASN A 24 6.342 -3.526 -0.218 1.00 0.47 H new ATOM 0 HD21 ASN A 24 9.363 -2.188 -1.491 1.00 1.03 H new ATOM 0 HD22 ASN A 24 10.170 -2.235 0.080 1.00 1.03 H new ATOM 372 N VAL A 25 4.768 -3.136 -2.841 1.00 0.51 N ATOM 373 CA VAL A 25 3.482 -3.650 -3.288 1.00 0.56 C ATOM 374 C VAL A 25 3.619 -4.325 -4.659 1.00 0.56 C ATOM 375 O VAL A 25 3.141 -5.437 -4.862 1.00 0.59 O ATOM 376 CB VAL A 25 2.451 -2.513 -3.292 1.00 0.68 C ATOM 377 CG1 VAL A 25 1.100 -3.029 -3.788 1.00 0.76 C ATOM 378 CG2 VAL A 25 2.237 -1.968 -1.877 1.00 0.64 C ATOM 0 H VAL A 25 4.780 -2.126 -2.698 1.00 0.51 H new ATOM 0 HA VAL A 25 3.129 -4.416 -2.598 1.00 0.56 H new ATOM 0 HB VAL A 25 2.833 -1.729 -3.946 1.00 0.68 H new ATOM 0 HG11 VAL A 25 0.376 -2.214 -3.787 1.00 0.76 H new ATOM 0 HG12 VAL A 25 1.208 -3.416 -4.801 1.00 0.76 H new ATOM 0 HG13 VAL A 25 0.751 -3.825 -3.130 1.00 0.76 H new ATOM 0 HG21 VAL A 25 1.502 -1.163 -1.904 1.00 0.64 H new ATOM 0 HG22 VAL A 25 1.876 -2.767 -1.230 1.00 0.64 H new ATOM 0 HG23 VAL A 25 3.180 -1.585 -1.488 1.00 0.64 H new ATOM 388 N LYS A 26 4.273 -3.657 -5.606 1.00 0.58 N ATOM 389 CA LYS A 26 4.539 -4.165 -6.944 1.00 0.61 C ATOM 390 C LYS A 26 5.287 -5.501 -6.912 1.00 0.54 C ATOM 391 O LYS A 26 5.018 -6.364 -7.742 1.00 0.60 O ATOM 392 CB LYS A 26 5.278 -3.073 -7.733 1.00 0.64 C ATOM 393 CG LYS A 26 4.248 -2.083 -8.282 1.00 0.80 C ATOM 394 CD LYS A 26 4.838 -0.700 -8.565 1.00 0.86 C ATOM 395 CE LYS A 26 4.443 -0.138 -9.936 1.00 0.87 C ATOM 396 NZ LYS A 26 5.315 -0.672 -10.996 1.00 2.45 N ATOM 0 H LYS A 26 4.643 -2.718 -5.456 1.00 0.58 H new ATOM 0 HA LYS A 26 3.601 -4.388 -7.453 1.00 0.61 H new ATOM 0 HB2 LYS A 26 5.991 -2.558 -7.089 1.00 0.64 H new ATOM 0 HB3 LYS A 26 5.848 -3.517 -8.549 1.00 0.64 H new ATOM 0 HG2 LYS A 26 3.821 -2.484 -9.201 1.00 0.80 H new ATOM 0 HG3 LYS A 26 3.431 -1.984 -7.567 1.00 0.80 H new ATOM 0 HD2 LYS A 26 4.511 -0.008 -7.789 1.00 0.86 H new ATOM 0 HD3 LYS A 26 5.925 -0.757 -8.504 1.00 0.86 H new ATOM 0 HE2 LYS A 26 3.405 -0.392 -10.152 1.00 0.87 H new ATOM 0 HE3 LYS A 26 4.509 0.950 -9.920 1.00 0.87 H new ATOM 0 HZ1 LYS A 26 5.027 -0.277 -11.914 1.00 2.45 H new ATOM 0 HZ2 LYS A 26 6.302 -0.409 -10.799 1.00 2.45 H new ATOM 0 HZ3 LYS A 26 5.232 -1.708 -11.024 1.00 2.45 H new ATOM 410 N GLU A 27 6.200 -5.692 -5.957 1.00 0.45 N ATOM 411 CA GLU A 27 6.890 -6.964 -5.776 1.00 0.43 C ATOM 412 C GLU A 27 5.981 -8.075 -5.212 1.00 0.48 C ATOM 413 O GLU A 27 6.402 -9.229 -5.174 1.00 0.56 O ATOM 414 CB GLU A 27 8.150 -6.761 -4.921 1.00 0.42 C ATOM 415 CG GLU A 27 9.161 -5.834 -5.614 1.00 0.56 C ATOM 416 CD GLU A 27 10.449 -5.702 -4.811 1.00 1.10 C ATOM 417 OE1 GLU A 27 11.344 -6.543 -5.036 1.00 1.88 O ATOM 418 OE2 GLU A 27 10.516 -4.754 -3.998 1.00 2.38 O ATOM 0 H GLU A 27 6.478 -4.971 -5.292 1.00 0.45 H new ATOM 0 HA GLU A 27 7.190 -7.315 -6.763 1.00 0.43 H new ATOM 0 HB2 GLU A 27 7.871 -6.339 -3.955 1.00 0.42 H new ATOM 0 HB3 GLU A 27 8.616 -7.726 -4.724 1.00 0.42 H new ATOM 0 HG2 GLU A 27 9.389 -6.222 -6.607 1.00 0.56 H new ATOM 0 HG3 GLU A 27 8.716 -4.849 -5.752 1.00 0.56 H new ATOM 425 N ILE A 28 4.755 -7.774 -4.759 1.00 0.52 N ATOM 426 CA ILE A 28 3.863 -8.800 -4.225 1.00 0.58 C ATOM 427 C ILE A 28 3.204 -9.584 -5.361 1.00 0.57 C ATOM 428 O ILE A 28 2.276 -9.126 -6.032 1.00 0.83 O ATOM 429 CB ILE A 28 2.781 -8.212 -3.322 1.00 0.64 C ATOM 430 CG1 ILE A 28 3.316 -7.346 -2.170 1.00 0.64 C ATOM 431 CG2 ILE A 28 1.823 -9.277 -2.777 1.00 0.77 C ATOM 432 CD1 ILE A 28 4.253 -8.070 -1.198 1.00 2.19 C ATOM 0 H ILE A 28 4.365 -6.832 -4.754 1.00 0.52 H new ATOM 0 HA ILE A 28 4.478 -9.469 -3.623 1.00 0.58 H new ATOM 0 HB ILE A 28 2.225 -7.547 -3.983 1.00 0.64 H new ATOM 0 HG12 ILE A 28 3.845 -6.492 -2.593 1.00 0.64 H new ATOM 0 HG13 ILE A 28 2.469 -6.951 -1.609 1.00 0.64 H new ATOM 0 HG21 ILE A 28 1.075 -8.803 -2.142 1.00 0.77 H new ATOM 0 HG22 ILE A 28 1.328 -9.780 -3.607 1.00 0.77 H new ATOM 0 HG23 ILE A 28 2.384 -10.007 -2.194 1.00 0.77 H new ATOM 0 HD11 ILE A 28 4.577 -7.377 -0.421 1.00 2.19 H new ATOM 0 HD12 ILE A 28 3.726 -8.907 -0.740 1.00 2.19 H new ATOM 0 HD13 ILE A 28 5.123 -8.441 -1.740 1.00 2.19 H new ATOM 444 N GLU A 29 3.623 -10.835 -5.463 1.00 0.59 N ATOM 445 CA GLU A 29 2.995 -11.883 -6.229 1.00 0.67 C ATOM 446 C GLU A 29 1.629 -12.184 -5.614 1.00 1.13 C ATOM 447 O GLU A 29 1.483 -13.058 -4.760 1.00 2.73 O ATOM 448 CB GLU A 29 3.927 -13.095 -6.174 1.00 0.81 C ATOM 449 CG GLU A 29 5.128 -12.949 -7.119 1.00 0.91 C ATOM 450 CD GLU A 29 4.765 -13.346 -8.545 1.00 2.02 C ATOM 451 OE1 GLU A 29 4.217 -12.480 -9.259 1.00 3.44 O ATOM 452 OE2 GLU A 29 5.023 -14.521 -8.885 1.00 2.66 O ATOM 0 H GLU A 29 4.462 -11.159 -4.981 1.00 0.59 H new ATOM 0 HA GLU A 29 2.833 -11.601 -7.269 1.00 0.67 H new ATOM 0 HB2 GLU A 29 4.285 -13.229 -5.153 1.00 0.81 H new ATOM 0 HB3 GLU A 29 3.368 -13.993 -6.437 1.00 0.81 H new ATOM 0 HG2 GLU A 29 5.480 -11.918 -7.105 1.00 0.91 H new ATOM 0 HG3 GLU A 29 5.950 -13.571 -6.764 1.00 0.91 H new ATOM 459 N GLY A 30 0.637 -11.408 -6.039 1.00 0.83 N ATOM 460 CA GLY A 30 -0.729 -11.486 -5.552 1.00 0.96 C ATOM 461 C GLY A 30 -1.566 -10.374 -6.176 1.00 0.86 C ATOM 462 O GLY A 30 -2.710 -10.588 -6.573 1.00 0.95 O ATOM 0 H GLY A 30 0.768 -10.689 -6.751 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -1.157 -12.458 -5.798 1.00 0.96 H new ATOM 0 HA3 GLY A 30 -0.743 -11.398 -4.466 1.00 0.96 H new ATOM 466 N VAL A 31 -0.999 -9.168 -6.261 1.00 0.76 N ATOM 467 CA VAL A 31 -1.653 -8.043 -6.889 1.00 0.67 C ATOM 468 C VAL A 31 -1.131 -7.911 -8.322 1.00 0.62 C ATOM 469 O VAL A 31 -0.006 -8.309 -8.614 1.00 0.95 O ATOM 470 CB VAL A 31 -1.436 -6.807 -6.008 1.00 0.83 C ATOM 471 CG1 VAL A 31 -0.010 -6.262 -6.045 1.00 0.97 C ATOM 472 CG2 VAL A 31 -2.407 -5.716 -6.414 1.00 0.85 C ATOM 0 H VAL A 31 -0.072 -8.955 -5.892 1.00 0.76 H new ATOM 0 HA VAL A 31 -2.732 -8.174 -6.973 1.00 0.67 H new ATOM 0 HB VAL A 31 -1.616 -7.127 -4.982 1.00 0.83 H new ATOM 0 HG11 VAL A 31 0.063 -5.389 -5.397 1.00 0.97 H new ATOM 0 HG12 VAL A 31 0.682 -7.030 -5.699 1.00 0.97 H new ATOM 0 HG13 VAL A 31 0.245 -5.978 -7.066 1.00 0.97 H new ATOM 0 HG21 VAL A 31 -2.251 -4.838 -5.787 1.00 0.85 H new ATOM 0 HG22 VAL A 31 -2.240 -5.450 -7.458 1.00 0.85 H new ATOM 0 HG23 VAL A 31 -3.429 -6.074 -6.290 1.00 0.85 H new ATOM 482 N THR A 32 -1.963 -7.377 -9.215 1.00 0.47 N ATOM 483 CA THR A 32 -1.647 -7.149 -10.614 1.00 0.46 C ATOM 484 C THR A 32 -1.439 -5.655 -10.814 1.00 0.52 C ATOM 485 O THR A 32 -0.372 -5.248 -11.269 1.00 0.59 O ATOM 486 CB THR A 32 -2.768 -7.697 -11.508 1.00 0.47 C ATOM 487 OG1 THR A 32 -3.039 -9.037 -11.149 1.00 0.53 O ATOM 488 CG2 THR A 32 -2.379 -7.642 -12.988 1.00 0.60 C ATOM 0 H THR A 32 -2.908 -7.083 -8.970 1.00 0.47 H new ATOM 0 HA THR A 32 -0.735 -7.675 -10.895 1.00 0.46 H new ATOM 0 HB THR A 32 -3.653 -7.077 -11.363 1.00 0.47 H new ATOM 0 HG1 THR A 32 -3.756 -9.389 -11.717 1.00 0.53 H new ATOM 0 HG21 THR A 32 -3.195 -8.037 -13.594 1.00 0.60 H new ATOM 0 HG22 THR A 32 -2.182 -6.609 -13.274 1.00 0.60 H new ATOM 0 HG23 THR A 32 -1.483 -8.241 -13.151 1.00 0.60 H new ATOM 496 N GLU A 33 -2.440 -4.846 -10.446 1.00 0.58 N ATOM 497 CA GLU A 33 -2.282 -3.395 -10.468 1.00 0.72 C ATOM 498 C GLU A 33 -2.528 -2.850 -9.069 1.00 0.72 C ATOM 499 O GLU A 33 -3.567 -3.124 -8.482 1.00 1.07 O ATOM 500 CB GLU A 33 -3.214 -2.755 -11.503 1.00 0.84 C ATOM 501 CG GLU A 33 -2.877 -3.232 -12.923 1.00 1.06 C ATOM 502 CD GLU A 33 -3.377 -2.239 -13.963 1.00 1.81 C ATOM 503 OE1 GLU A 33 -2.787 -1.139 -14.013 1.00 1.57 O ATOM 504 OE2 GLU A 33 -4.343 -2.593 -14.671 1.00 3.36 O ATOM 0 H GLU A 33 -3.355 -5.170 -10.134 1.00 0.58 H new ATOM 0 HA GLU A 33 -1.265 -3.142 -10.768 1.00 0.72 H new ATOM 0 HB2 GLU A 33 -4.249 -3.005 -11.268 1.00 0.84 H new ATOM 0 HB3 GLU A 33 -3.129 -1.670 -11.451 1.00 0.84 H new ATOM 0 HG2 GLU A 33 -1.799 -3.357 -13.023 1.00 1.06 H new ATOM 0 HG3 GLU A 33 -3.329 -4.208 -13.100 1.00 1.06 H new ATOM 511 N ALA A 34 -1.580 -2.091 -8.519 1.00 0.49 N ATOM 512 CA ALA A 34 -1.745 -1.437 -7.234 1.00 0.47 C ATOM 513 C ALA A 34 -1.323 0.013 -7.380 1.00 0.44 C ATOM 514 O ALA A 34 -0.317 0.279 -8.037 1.00 0.48 O ATOM 515 CB ALA A 34 -0.878 -2.128 -6.190 1.00 0.63 C ATOM 0 H ALA A 34 -0.676 -1.916 -8.958 1.00 0.49 H new ATOM 0 HA ALA A 34 -2.785 -1.493 -6.913 1.00 0.47 H new ATOM 0 HB1 ALA A 34 -1.005 -1.634 -5.227 1.00 0.63 H new ATOM 0 HB2 ALA A 34 -1.176 -3.173 -6.104 1.00 0.63 H new ATOM 0 HB3 ALA A 34 0.168 -2.072 -6.491 1.00 0.63 H new ATOM 521 N ILE A 35 -2.091 0.943 -6.806 1.00 0.44 N ATOM 522 CA ILE A 35 -1.809 2.370 -6.954 1.00 0.50 C ATOM 523 C ILE A 35 -1.805 2.994 -5.560 1.00 0.49 C ATOM 524 O ILE A 35 -2.860 3.053 -4.928 1.00 0.54 O ATOM 525 CB ILE A 35 -2.843 3.019 -7.902 1.00 0.51 C ATOM 526 CG1 ILE A 35 -2.801 2.379 -9.307 1.00 0.58 C ATOM 527 CG2 ILE A 35 -2.584 4.531 -8.015 1.00 0.58 C ATOM 528 CD1 ILE A 35 -4.070 2.652 -10.119 1.00 1.27 C ATOM 0 H ILE A 35 -2.910 0.732 -6.236 1.00 0.44 H new ATOM 0 HA ILE A 35 -0.833 2.538 -7.409 1.00 0.50 H new ATOM 0 HB ILE A 35 -3.833 2.849 -7.479 1.00 0.51 H new ATOM 0 HG12 ILE A 35 -1.937 2.762 -9.851 1.00 0.58 H new ATOM 0 HG13 ILE A 35 -2.663 1.302 -9.207 1.00 0.58 H new ATOM 0 HG21 ILE A 35 -3.319 4.977 -8.685 1.00 0.58 H new ATOM 0 HG22 ILE A 35 -2.667 4.989 -7.029 1.00 0.58 H new ATOM 0 HG23 ILE A 35 -1.582 4.700 -8.410 1.00 0.58 H new ATOM 0 HD11 ILE A 35 -3.985 2.179 -11.097 1.00 1.27 H new ATOM 0 HD12 ILE A 35 -4.933 2.245 -9.593 1.00 1.27 H new ATOM 0 HD13 ILE A 35 -4.196 3.727 -10.246 1.00 1.27 H new ATOM 540 N VAL A 36 -0.638 3.426 -5.057 1.00 0.47 N ATOM 541 CA VAL A 36 -0.561 4.023 -3.731 1.00 0.43 C ATOM 542 C VAL A 36 -0.635 5.555 -3.802 1.00 0.45 C ATOM 543 O VAL A 36 0.326 6.198 -4.220 1.00 0.77 O ATOM 544 CB VAL A 36 0.694 3.496 -3.012 1.00 0.51 C ATOM 545 CG1 VAL A 36 2.022 3.959 -3.622 1.00 2.04 C ATOM 546 CG2 VAL A 36 0.645 3.896 -1.540 1.00 2.04 C ATOM 0 H VAL A 36 0.253 3.370 -5.550 1.00 0.47 H new ATOM 0 HA VAL A 36 -1.426 3.726 -3.138 1.00 0.43 H new ATOM 0 HB VAL A 36 0.671 2.413 -3.131 1.00 0.51 H new ATOM 0 HG11 VAL A 36 2.850 3.540 -3.051 1.00 2.04 H new ATOM 0 HG12 VAL A 36 2.085 3.620 -4.656 1.00 2.04 H new ATOM 0 HG13 VAL A 36 2.076 5.047 -3.593 1.00 2.04 H new ATOM 0 HG21 VAL A 36 1.534 3.522 -1.032 1.00 2.04 H new ATOM 0 HG22 VAL A 36 0.610 4.982 -1.459 1.00 2.04 H new ATOM 0 HG23 VAL A 36 -0.244 3.469 -1.076 1.00 2.04 H new ATOM 556 N ASN A 37 -1.720 6.179 -3.320 1.00 0.60 N ATOM 557 CA ASN A 37 -1.697 7.626 -3.121 1.00 0.65 C ATOM 558 C ASN A 37 -1.047 7.878 -1.765 1.00 0.79 C ATOM 559 O ASN A 37 -1.723 8.250 -0.804 1.00 1.85 O ATOM 560 CB ASN A 37 -3.097 8.250 -3.168 1.00 0.79 C ATOM 561 CG ASN A 37 -3.771 8.159 -4.536 1.00 1.10 C ATOM 562 OD1 ASN A 37 -3.821 7.103 -5.154 1.00 2.19 O ATOM 563 ND2 ASN A 37 -4.327 9.268 -5.018 1.00 2.17 N ATOM 0 H ASN A 37 -2.595 5.719 -3.069 1.00 0.60 H new ATOM 0 HA ASN A 37 -1.135 8.094 -3.929 1.00 0.65 H new ATOM 0 HB2 ASN A 37 -3.729 7.757 -2.429 1.00 0.79 H new ATOM 0 HB3 ASN A 37 -3.027 9.298 -2.878 1.00 0.79 H new ATOM 0 HD21 ASN A 37 -4.806 9.249 -5.918 1.00 2.17 H new ATOM 0 HD22 ASN A 37 -4.274 10.137 -4.487 1.00 2.17 H new ATOM 570 N PHE A 38 0.267 7.659 -1.677 1.00 1.15 N ATOM 571 CA PHE A 38 1.020 7.851 -0.440 1.00 1.36 C ATOM 572 C PHE A 38 1.248 9.352 -0.213 1.00 1.54 C ATOM 573 O PHE A 38 2.370 9.851 -0.262 1.00 2.71 O ATOM 574 CB PHE A 38 2.316 7.017 -0.451 1.00 1.61 C ATOM 575 CG PHE A 38 2.592 6.197 0.799 1.00 1.31 C ATOM 576 CD1 PHE A 38 1.673 5.213 1.207 1.00 1.52 C ATOM 577 CD2 PHE A 38 3.826 6.310 1.475 1.00 2.43 C ATOM 578 CE1 PHE A 38 2.024 4.291 2.203 1.00 1.96 C ATOM 579 CE2 PHE A 38 4.147 5.418 2.511 1.00 2.95 C ATOM 580 CZ PHE A 38 3.254 4.401 2.865 1.00 2.46 C ATOM 0 H PHE A 38 0.837 7.344 -2.462 1.00 1.15 H new ATOM 0 HA PHE A 38 0.448 7.483 0.412 1.00 1.36 H new ATOM 0 HB2 PHE A 38 2.282 6.340 -1.305 1.00 1.61 H new ATOM 0 HB3 PHE A 38 3.157 7.691 -0.612 1.00 1.61 H new ATOM 0 HD1 PHE A 38 0.695 5.168 0.752 1.00 1.52 H new ATOM 0 HD2 PHE A 38 4.525 7.084 1.195 1.00 2.43 H new ATOM 0 HE1 PHE A 38 1.344 3.493 2.461 1.00 1.96 H new ATOM 0 HE2 PHE A 38 5.086 5.517 3.036 1.00 2.95 H new ATOM 0 HZ PHE A 38 3.512 3.702 3.647 1.00 2.46 H new ATOM 590 N GLY A 39 0.157 10.071 0.046 1.00 1.73 N ATOM 591 CA GLY A 39 0.163 11.497 0.319 1.00 1.84 C ATOM 592 C GLY A 39 -1.140 11.885 1.006 1.00 1.88 C ATOM 593 O GLY A 39 -1.836 12.787 0.551 1.00 3.15 O ATOM 0 H GLY A 39 -0.777 9.662 0.071 1.00 1.73 H new ATOM 0 HA2 GLY A 39 1.012 11.754 0.953 1.00 1.84 H new ATOM 0 HA3 GLY A 39 0.278 12.056 -0.610 1.00 1.84 H new ATOM 597 N ALA A 40 -1.466 11.171 2.090 1.00 1.35 N ATOM 598 CA ALA A 40 -2.635 11.397 2.933 1.00 1.27 C ATOM 599 C ALA A 40 -3.885 11.038 2.143 1.00 0.76 C ATOM 600 O ALA A 40 -4.711 11.889 1.814 1.00 1.49 O ATOM 601 CB ALA A 40 -2.660 12.825 3.496 1.00 2.04 C ATOM 0 H ALA A 40 -0.896 10.389 2.413 1.00 1.35 H new ATOM 0 HA ALA A 40 -2.591 10.750 3.809 1.00 1.27 H new ATOM 0 HB1 ALA A 40 -3.545 12.955 4.119 1.00 2.04 H new ATOM 0 HB2 ALA A 40 -1.766 12.995 4.096 1.00 2.04 H new ATOM 0 HB3 ALA A 40 -2.687 13.540 2.674 1.00 2.04 H new ATOM 607 N SER A 41 -3.986 9.759 1.780 1.00 0.57 N ATOM 608 CA SER A 41 -5.071 9.243 0.972 1.00 1.05 C ATOM 609 C SER A 41 -5.228 7.736 1.195 1.00 0.60 C ATOM 610 O SER A 41 -5.656 7.303 2.263 1.00 0.63 O ATOM 611 CB SER A 41 -4.861 9.663 -0.493 1.00 2.12 C ATOM 612 OG SER A 41 -5.299 10.987 -0.713 1.00 2.61 O ATOM 0 H SER A 41 -3.303 9.050 2.047 1.00 0.57 H new ATOM 0 HA SER A 41 -6.025 9.675 1.275 1.00 1.05 H new ATOM 0 HB2 SER A 41 -3.805 9.579 -0.750 1.00 2.12 H new ATOM 0 HB3 SER A 41 -5.404 8.984 -1.150 1.00 2.12 H new ATOM 0 HG SER A 41 -5.265 11.487 0.129 1.00 2.61 H new ATOM 618 N LYS A 42 -4.959 6.931 0.168 1.00 0.56 N ATOM 619 CA LYS A 42 -5.393 5.548 0.118 1.00 0.46 C ATOM 620 C LYS A 42 -4.524 4.744 -0.843 1.00 0.46 C ATOM 621 O LYS A 42 -3.903 5.311 -1.744 1.00 0.73 O ATOM 622 CB LYS A 42 -6.895 5.487 -0.192 1.00 0.86 C ATOM 623 CG LYS A 42 -7.346 6.203 -1.476 1.00 1.25 C ATOM 624 CD LYS A 42 -8.816 6.598 -1.270 1.00 2.11 C ATOM 625 CE LYS A 42 -9.548 7.085 -2.527 1.00 2.59 C ATOM 626 NZ LYS A 42 -8.968 8.324 -3.085 1.00 3.37 N ATOM 0 H LYS A 42 -4.431 7.227 -0.653 1.00 0.56 H new ATOM 0 HA LYS A 42 -5.259 5.076 1.092 1.00 0.46 H new ATOM 0 HB2 LYS A 42 -7.190 4.440 -0.260 1.00 0.86 H new ATOM 0 HB3 LYS A 42 -7.438 5.917 0.650 1.00 0.86 H new ATOM 0 HG2 LYS A 42 -6.732 7.084 -1.664 1.00 1.25 H new ATOM 0 HG3 LYS A 42 -7.239 5.549 -2.341 1.00 1.25 H new ATOM 0 HD2 LYS A 42 -9.353 5.739 -0.867 1.00 2.11 H new ATOM 0 HD3 LYS A 42 -8.861 7.384 -0.516 1.00 2.11 H new ATOM 0 HE2 LYS A 42 -9.518 6.302 -3.285 1.00 2.59 H new ATOM 0 HE3 LYS A 42 -10.597 7.257 -2.287 1.00 2.59 H new ATOM 0 HZ1 LYS A 42 -9.502 8.606 -3.932 1.00 3.37 H new ATOM 0 HZ2 LYS A 42 -9.019 9.082 -2.375 1.00 3.37 H new ATOM 0 HZ3 LYS A 42 -7.974 8.157 -3.342 1.00 3.37 H new ATOM 640 N ILE A 43 -4.474 3.433 -0.616 1.00 0.38 N ATOM 641 CA ILE A 43 -3.726 2.464 -1.401 1.00 0.35 C ATOM 642 C ILE A 43 -4.721 1.530 -2.088 1.00 0.32 C ATOM 643 O ILE A 43 -5.492 0.836 -1.421 1.00 0.32 O ATOM 644 CB ILE A 43 -2.669 1.761 -0.516 1.00 0.41 C ATOM 645 CG1 ILE A 43 -1.706 0.826 -1.285 1.00 0.42 C ATOM 646 CG2 ILE A 43 -3.254 1.069 0.724 1.00 0.59 C ATOM 647 CD1 ILE A 43 -2.263 -0.567 -1.571 1.00 0.81 C ATOM 0 H ILE A 43 -4.979 3.001 0.158 1.00 0.38 H new ATOM 0 HA ILE A 43 -3.149 2.942 -2.193 1.00 0.35 H new ATOM 0 HB ILE A 43 -2.060 2.590 -0.155 1.00 0.41 H new ATOM 0 HG12 ILE A 43 -1.441 1.298 -2.231 1.00 0.42 H new ATOM 0 HG13 ILE A 43 -0.785 0.724 -0.711 1.00 0.42 H new ATOM 0 HG21 ILE A 43 -2.451 0.600 1.292 1.00 0.59 H new ATOM 0 HG22 ILE A 43 -3.757 1.807 1.349 1.00 0.59 H new ATOM 0 HG23 ILE A 43 -3.970 0.308 0.412 1.00 0.59 H new ATOM 0 HD11 ILE A 43 -1.520 -1.152 -2.113 1.00 0.81 H new ATOM 0 HD12 ILE A 43 -2.501 -1.064 -0.630 1.00 0.81 H new ATOM 0 HD13 ILE A 43 -3.167 -0.481 -2.174 1.00 0.81 H new ATOM 659 N THR A 44 -4.726 1.541 -3.424 1.00 0.32 N ATOM 660 CA THR A 44 -5.506 0.621 -4.236 1.00 0.32 C ATOM 661 C THR A 44 -4.699 -0.629 -4.519 1.00 0.37 C ATOM 662 O THR A 44 -3.493 -0.556 -4.754 1.00 0.45 O ATOM 663 CB THR A 44 -5.912 1.270 -5.556 1.00 0.39 C ATOM 664 OG1 THR A 44 -6.828 2.292 -5.302 1.00 0.54 O ATOM 665 CG2 THR A 44 -6.553 0.301 -6.562 1.00 0.54 C ATOM 0 H THR A 44 -4.178 2.202 -3.974 1.00 0.32 H new ATOM 0 HA THR A 44 -6.408 0.360 -3.682 1.00 0.32 H new ATOM 0 HB THR A 44 -4.990 1.640 -6.004 1.00 0.39 H new ATOM 0 HG1 THR A 44 -7.091 2.713 -6.147 1.00 0.54 H new ATOM 0 HG21 THR A 44 -6.812 0.841 -7.473 1.00 0.54 H new ATOM 0 HG22 THR A 44 -5.848 -0.495 -6.800 1.00 0.54 H new ATOM 0 HG23 THR A 44 -7.454 -0.131 -6.127 1.00 0.54 H new ATOM 673 N VAL A 45 -5.415 -1.748 -4.560 1.00 0.38 N ATOM 674 CA VAL A 45 -4.945 -3.075 -4.897 1.00 0.44 C ATOM 675 C VAL A 45 -5.950 -3.655 -5.894 1.00 0.47 C ATOM 676 O VAL A 45 -7.162 -3.559 -5.697 1.00 0.54 O ATOM 677 CB VAL A 45 -4.871 -3.900 -3.593 1.00 0.47 C ATOM 678 CG1 VAL A 45 -5.079 -5.411 -3.755 1.00 0.73 C ATOM 679 CG2 VAL A 45 -3.527 -3.661 -2.905 1.00 0.71 C ATOM 0 H VAL A 45 -6.411 -1.744 -4.341 1.00 0.38 H new ATOM 0 HA VAL A 45 -3.953 -3.079 -5.349 1.00 0.44 H new ATOM 0 HB VAL A 45 -5.708 -3.545 -2.992 1.00 0.47 H new ATOM 0 HG11 VAL A 45 -5.007 -5.895 -2.781 1.00 0.73 H new ATOM 0 HG12 VAL A 45 -6.064 -5.599 -4.182 1.00 0.73 H new ATOM 0 HG13 VAL A 45 -4.313 -5.815 -4.418 1.00 0.73 H new ATOM 0 HG21 VAL A 45 -3.480 -4.245 -1.986 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -2.719 -3.965 -3.570 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -3.423 -2.602 -2.668 1.00 0.71 H new ATOM 689 N THR A 46 -5.476 -4.230 -6.995 1.00 0.49 N ATOM 690 CA THR A 46 -6.286 -4.937 -7.969 1.00 0.57 C ATOM 691 C THR A 46 -5.472 -6.100 -8.455 1.00 0.52 C ATOM 692 O THR A 46 -4.299 -5.949 -8.767 1.00 0.67 O ATOM 693 CB THR A 46 -6.683 -4.009 -9.125 1.00 0.74 C ATOM 694 OG1 THR A 46 -7.475 -3.036 -8.517 1.00 0.78 O ATOM 695 CG2 THR A 46 -7.506 -4.695 -10.219 1.00 0.88 C ATOM 0 H THR A 46 -4.485 -4.214 -7.237 1.00 0.49 H new ATOM 0 HA THR A 46 -7.216 -5.287 -7.521 1.00 0.57 H new ATOM 0 HB THR A 46 -5.790 -3.635 -9.626 1.00 0.74 H new ATOM 0 HG1 THR A 46 -7.776 -2.391 -9.191 1.00 0.78 H new ATOM 0 HG21 THR A 46 -7.747 -3.973 -11.000 1.00 0.88 H new ATOM 0 HG22 THR A 46 -6.930 -5.515 -10.648 1.00 0.88 H new ATOM 0 HG23 THR A 46 -8.428 -5.086 -9.789 1.00 0.88 H new ATOM 703 N GLY A 47 -6.073 -7.272 -8.493 1.00 0.55 N ATOM 704 CA GLY A 47 -5.368 -8.429 -9.004 1.00 0.49 C ATOM 705 C GLY A 47 -5.990 -9.689 -8.414 1.00 0.52 C ATOM 706 O GLY A 47 -6.958 -10.205 -8.964 1.00 0.76 O ATOM 0 H GLY A 47 -7.029 -7.447 -8.183 1.00 0.55 H new ATOM 0 HA2 GLY A 47 -5.426 -8.455 -10.092 1.00 0.49 H new ATOM 0 HA3 GLY A 47 -4.312 -8.372 -8.742 1.00 0.49 H new ATOM 710 N GLU A 48 -5.468 -10.124 -7.260 1.00 0.41 N ATOM 711 CA GLU A 48 -6.054 -11.137 -6.388 1.00 0.40 C ATOM 712 C GLU A 48 -5.356 -11.088 -5.012 1.00 0.42 C ATOM 713 O GLU A 48 -4.820 -12.086 -4.539 1.00 0.51 O ATOM 714 CB GLU A 48 -5.952 -12.538 -7.027 1.00 0.42 C ATOM 715 CG GLU A 48 -6.985 -13.508 -6.421 1.00 0.57 C ATOM 716 CD GLU A 48 -6.434 -14.918 -6.235 1.00 1.60 C ATOM 717 OE1 GLU A 48 -5.739 -15.388 -7.163 1.00 2.13 O ATOM 718 OE2 GLU A 48 -6.732 -15.507 -5.174 1.00 2.88 O ATOM 0 H GLU A 48 -4.587 -9.760 -6.897 1.00 0.41 H new ATOM 0 HA GLU A 48 -7.115 -10.927 -6.249 1.00 0.40 H new ATOM 0 HB2 GLU A 48 -6.110 -12.461 -8.103 1.00 0.42 H new ATOM 0 HB3 GLU A 48 -4.948 -12.935 -6.880 1.00 0.42 H new ATOM 0 HG2 GLU A 48 -7.317 -13.122 -5.457 1.00 0.57 H new ATOM 0 HG3 GLU A 48 -7.862 -13.548 -7.067 1.00 0.57 H new ATOM 725 N ALA A 49 -5.325 -9.915 -4.365 1.00 0.43 N ATOM 726 CA ALA A 49 -4.637 -9.733 -3.088 1.00 0.44 C ATOM 727 C ALA A 49 -5.404 -8.807 -2.147 1.00 0.41 C ATOM 728 O ALA A 49 -6.427 -8.236 -2.522 1.00 0.66 O ATOM 729 CB ALA A 49 -3.234 -9.194 -3.361 1.00 0.69 C ATOM 0 H ALA A 49 -5.776 -9.070 -4.715 1.00 0.43 H new ATOM 0 HA ALA A 49 -4.574 -10.698 -2.584 1.00 0.44 H new ATOM 0 HB1 ALA A 49 -2.708 -9.053 -2.417 1.00 0.69 H new ATOM 0 HB2 ALA A 49 -2.685 -9.904 -3.979 1.00 0.69 H new ATOM 0 HB3 ALA A 49 -3.306 -8.239 -3.882 1.00 0.69 H new ATOM 735 N SER A 50 -4.902 -8.672 -0.914 1.00 0.36 N ATOM 736 CA SER A 50 -5.477 -7.857 0.148 1.00 0.35 C ATOM 737 C SER A 50 -4.391 -7.037 0.841 1.00 0.28 C ATOM 738 O SER A 50 -3.205 -7.330 0.682 1.00 0.31 O ATOM 739 CB SER A 50 -6.156 -8.772 1.169 1.00 0.44 C ATOM 740 OG SER A 50 -7.320 -9.339 0.603 1.00 0.59 O ATOM 0 H SER A 50 -4.049 -9.150 -0.623 1.00 0.36 H new ATOM 0 HA SER A 50 -6.207 -7.173 -0.285 1.00 0.35 H new ATOM 0 HB2 SER A 50 -5.470 -9.560 1.478 1.00 0.44 H new ATOM 0 HB3 SER A 50 -6.414 -8.206 2.064 1.00 0.44 H new ATOM 0 HG SER A 50 -7.751 -9.925 1.259 1.00 0.59 H new ATOM 746 N ILE A 51 -4.807 -6.040 1.640 1.00 0.31 N ATOM 747 CA ILE A 51 -3.890 -5.152 2.351 1.00 0.33 C ATOM 748 C ILE A 51 -2.809 -5.943 3.069 1.00 0.30 C ATOM 749 O ILE A 51 -1.664 -5.570 2.929 1.00 0.43 O ATOM 750 CB ILE A 51 -4.622 -4.158 3.275 1.00 0.52 C ATOM 751 CG1 ILE A 51 -3.816 -2.904 3.644 1.00 0.73 C ATOM 752 CG2 ILE A 51 -5.223 -4.814 4.525 1.00 0.71 C ATOM 753 CD1 ILE A 51 -2.578 -3.134 4.513 1.00 2.73 C ATOM 0 H ILE A 51 -5.792 -5.832 1.807 1.00 0.31 H new ATOM 0 HA ILE A 51 -3.391 -4.535 1.604 1.00 0.33 H new ATOM 0 HB ILE A 51 -5.449 -3.810 2.655 1.00 0.52 H new ATOM 0 HG12 ILE A 51 -3.503 -2.414 2.722 1.00 0.73 H new ATOM 0 HG13 ILE A 51 -4.477 -2.211 4.165 1.00 0.73 H new ATOM 0 HG21 ILE A 51 -5.722 -4.056 5.129 1.00 0.71 H new ATOM 0 HG22 ILE A 51 -5.945 -5.574 4.226 1.00 0.71 H new ATOM 0 HG23 ILE A 51 -4.429 -5.279 5.110 1.00 0.71 H new ATOM 0 HD11 ILE A 51 -2.089 -2.180 4.710 1.00 2.73 H new ATOM 0 HD12 ILE A 51 -2.876 -3.591 5.457 1.00 2.73 H new ATOM 0 HD13 ILE A 51 -1.886 -3.796 3.992 1.00 2.73 H new ATOM 765 N GLN A 52 -3.131 -7.038 3.765 1.00 0.32 N ATOM 766 CA GLN A 52 -2.206 -7.868 4.547 1.00 0.38 C ATOM 767 C GLN A 52 -0.776 -7.921 3.980 1.00 0.38 C ATOM 768 O GLN A 52 0.202 -7.721 4.699 1.00 0.45 O ATOM 769 CB GLN A 52 -2.805 -9.273 4.675 1.00 0.41 C ATOM 770 CG GLN A 52 -4.024 -9.290 5.613 1.00 0.51 C ATOM 771 CD GLN A 52 -3.631 -9.546 7.067 1.00 1.65 C ATOM 772 OE1 GLN A 52 -3.652 -10.687 7.515 1.00 2.11 O ATOM 773 NE2 GLN A 52 -3.275 -8.513 7.822 1.00 2.79 N ATOM 0 H GLN A 52 -4.089 -7.387 3.801 1.00 0.32 H new ATOM 0 HA GLN A 52 -2.096 -7.405 5.528 1.00 0.38 H new ATOM 0 HB2 GLN A 52 -3.099 -9.634 3.690 1.00 0.41 H new ATOM 0 HB3 GLN A 52 -2.046 -9.959 5.052 1.00 0.41 H new ATOM 0 HG2 GLN A 52 -4.548 -8.337 5.543 1.00 0.51 H new ATOM 0 HG3 GLN A 52 -4.721 -10.061 5.286 1.00 0.51 H new ATOM 0 HE21 GLN A 52 -3.265 -7.572 7.427 1.00 2.79 H new ATOM 0 HE22 GLN A 52 -3.012 -8.660 8.796 1.00 2.79 H new ATOM 782 N GLN A 53 -0.645 -8.163 2.676 1.00 0.33 N ATOM 783 CA GLN A 53 0.671 -8.211 2.039 1.00 0.37 C ATOM 784 C GLN A 53 1.349 -6.825 2.047 1.00 0.32 C ATOM 785 O GLN A 53 2.514 -6.677 2.419 1.00 0.33 O ATOM 786 CB GLN A 53 0.522 -8.790 0.628 1.00 0.44 C ATOM 787 CG GLN A 53 -0.055 -10.216 0.680 1.00 0.55 C ATOM 788 CD GLN A 53 -0.231 -10.819 -0.710 1.00 1.09 C ATOM 789 OE1 GLN A 53 -0.991 -10.302 -1.518 1.00 2.76 O ATOM 790 NE2 GLN A 53 0.455 -11.919 -1.004 1.00 1.14 N ATOM 0 H GLN A 53 -1.428 -8.328 2.044 1.00 0.33 H new ATOM 0 HA GLN A 53 1.331 -8.866 2.608 1.00 0.37 H new ATOM 0 HB2 GLN A 53 -0.131 -8.150 0.035 1.00 0.44 H new ATOM 0 HB3 GLN A 53 1.492 -8.803 0.131 1.00 0.44 H new ATOM 0 HG2 GLN A 53 0.606 -10.852 1.269 1.00 0.55 H new ATOM 0 HG3 GLN A 53 -1.018 -10.198 1.191 1.00 0.55 H new ATOM 0 HE21 GLN A 53 1.082 -12.329 -0.312 1.00 1.14 H new ATOM 0 HE22 GLN A 53 0.355 -12.353 -1.922 1.00 1.14 H new ATOM 799 N VAL A 54 0.593 -5.794 1.671 1.00 0.28 N ATOM 800 CA VAL A 54 0.984 -4.393 1.764 1.00 0.25 C ATOM 801 C VAL A 54 1.228 -3.980 3.227 1.00 0.33 C ATOM 802 O VAL A 54 2.066 -3.128 3.513 1.00 0.43 O ATOM 803 CB VAL A 54 -0.071 -3.504 1.074 1.00 0.25 C ATOM 804 CG1 VAL A 54 0.424 -2.057 1.025 1.00 0.33 C ATOM 805 CG2 VAL A 54 -0.426 -4.058 -0.316 1.00 0.26 C ATOM 0 H VAL A 54 -0.341 -5.919 1.280 1.00 0.28 H new ATOM 0 HA VAL A 54 1.930 -4.254 1.241 1.00 0.25 H new ATOM 0 HB VAL A 54 -0.994 -3.515 1.654 1.00 0.25 H new ATOM 0 HG11 VAL A 54 -0.324 -1.433 0.537 1.00 0.33 H new ATOM 0 HG12 VAL A 54 0.592 -1.695 2.039 1.00 0.33 H new ATOM 0 HG13 VAL A 54 1.357 -2.011 0.464 1.00 0.33 H new ATOM 0 HG21 VAL A 54 -1.172 -3.415 -0.784 1.00 0.26 H new ATOM 0 HG22 VAL A 54 0.470 -4.086 -0.936 1.00 0.26 H new ATOM 0 HG23 VAL A 54 -0.828 -5.066 -0.214 1.00 0.26 H new ATOM 815 N GLU A 55 0.502 -4.590 4.163 1.00 0.48 N ATOM 816 CA GLU A 55 0.645 -4.394 5.595 1.00 0.62 C ATOM 817 C GLU A 55 2.070 -4.798 5.968 1.00 0.41 C ATOM 818 O GLU A 55 2.841 -4.007 6.509 1.00 0.35 O ATOM 819 CB GLU A 55 -0.399 -5.244 6.334 1.00 0.93 C ATOM 820 CG GLU A 55 -1.003 -4.562 7.564 1.00 1.09 C ATOM 821 CD GLU A 55 -2.100 -5.439 8.159 1.00 2.27 C ATOM 822 OE1 GLU A 55 -2.960 -5.892 7.368 1.00 3.19 O ATOM 823 OE2 GLU A 55 -2.041 -5.684 9.381 1.00 3.02 O ATOM 0 H GLU A 55 -0.230 -5.260 3.929 1.00 0.48 H new ATOM 0 HA GLU A 55 0.476 -3.355 5.879 1.00 0.62 H new ATOM 0 HB2 GLU A 55 -1.202 -5.497 5.641 1.00 0.93 H new ATOM 0 HB3 GLU A 55 0.064 -6.182 6.642 1.00 0.93 H new ATOM 0 HG2 GLU A 55 -0.227 -4.381 8.308 1.00 1.09 H new ATOM 0 HG3 GLU A 55 -1.412 -3.590 7.287 1.00 1.09 H new ATOM 830 N GLN A 56 2.427 -6.039 5.611 1.00 0.42 N ATOM 831 CA GLN A 56 3.756 -6.580 5.833 1.00 0.43 C ATOM 832 C GLN A 56 4.809 -5.682 5.185 1.00 0.39 C ATOM 833 O GLN A 56 5.797 -5.343 5.835 1.00 0.47 O ATOM 834 CB GLN A 56 3.821 -8.037 5.351 1.00 0.55 C ATOM 835 CG GLN A 56 5.050 -8.795 5.880 1.00 0.67 C ATOM 836 CD GLN A 56 6.247 -8.764 4.930 1.00 2.33 C ATOM 837 OE1 GLN A 56 6.474 -9.712 4.189 1.00 3.27 O ATOM 838 NE2 GLN A 56 7.040 -7.696 4.948 1.00 3.69 N ATOM 0 H GLN A 56 1.790 -6.693 5.157 1.00 0.42 H new ATOM 0 HA GLN A 56 3.976 -6.594 6.900 1.00 0.43 H new ATOM 0 HB2 GLN A 56 2.917 -8.558 5.666 1.00 0.55 H new ATOM 0 HB3 GLN A 56 3.834 -8.052 4.261 1.00 0.55 H new ATOM 0 HG2 GLN A 56 5.346 -8.366 6.837 1.00 0.67 H new ATOM 0 HG3 GLN A 56 4.773 -9.832 6.068 1.00 0.67 H new ATOM 0 HE21 GLN A 56 6.832 -6.917 5.573 1.00 3.69 H new ATOM 0 HE22 GLN A 56 7.856 -7.656 4.337 1.00 3.69 H new ATOM 847 N ALA A 57 4.617 -5.285 3.922 1.00 0.38 N ATOM 848 CA ALA A 57 5.481 -4.313 3.271 1.00 0.49 C ATOM 849 C ALA A 57 5.659 -3.074 4.146 1.00 0.40 C ATOM 850 O ALA A 57 6.784 -2.653 4.407 1.00 0.51 O ATOM 851 CB ALA A 57 4.888 -3.930 1.914 1.00 0.63 C ATOM 0 H ALA A 57 3.861 -5.630 3.331 1.00 0.38 H new ATOM 0 HA ALA A 57 6.464 -4.760 3.119 1.00 0.49 H new ATOM 0 HB1 ALA A 57 5.536 -3.201 1.426 1.00 0.63 H new ATOM 0 HB2 ALA A 57 4.806 -4.819 1.289 1.00 0.63 H new ATOM 0 HB3 ALA A 57 3.899 -3.496 2.059 1.00 0.63 H new ATOM 857 N GLY A 58 4.553 -2.495 4.615 1.00 0.28 N ATOM 858 CA GLY A 58 4.546 -1.277 5.394 1.00 0.25 C ATOM 859 C GLY A 58 5.287 -1.399 6.722 1.00 0.26 C ATOM 860 O GLY A 58 5.559 -0.376 7.353 1.00 0.27 O ATOM 0 H GLY A 58 3.621 -2.876 4.455 1.00 0.28 H new ATOM 0 HA2 GLY A 58 4.998 -0.477 4.807 1.00 0.25 H new ATOM 0 HA3 GLY A 58 3.514 -0.986 5.588 1.00 0.25 H new ATOM 864 N ALA A 59 5.666 -2.612 7.141 1.00 0.37 N ATOM 865 CA ALA A 59 6.511 -2.811 8.306 1.00 0.43 C ATOM 866 C ALA A 59 7.739 -1.897 8.294 1.00 0.40 C ATOM 867 O ALA A 59 8.189 -1.504 9.365 1.00 0.44 O ATOM 868 CB ALA A 59 6.937 -4.274 8.416 1.00 0.59 C ATOM 0 H ALA A 59 5.391 -3.478 6.677 1.00 0.37 H new ATOM 0 HA ALA A 59 5.918 -2.546 9.181 1.00 0.43 H new ATOM 0 HB1 ALA A 59 7.569 -4.404 9.294 1.00 0.59 H new ATOM 0 HB2 ALA A 59 6.053 -4.904 8.509 1.00 0.59 H new ATOM 0 HB3 ALA A 59 7.493 -4.559 7.523 1.00 0.59 H new ATOM 874 N PHE A 60 8.268 -1.518 7.121 1.00 0.38 N ATOM 875 CA PHE A 60 9.418 -0.617 7.083 1.00 0.40 C ATOM 876 C PHE A 60 9.163 0.722 7.796 1.00 0.40 C ATOM 877 O PHE A 60 10.122 1.331 8.265 1.00 0.53 O ATOM 878 CB PHE A 60 9.965 -0.423 5.658 1.00 0.44 C ATOM 879 CG PHE A 60 9.173 0.494 4.738 1.00 0.50 C ATOM 880 CD1 PHE A 60 9.290 1.893 4.852 1.00 2.11 C ATOM 881 CD2 PHE A 60 8.355 -0.046 3.731 1.00 1.68 C ATOM 882 CE1 PHE A 60 8.501 2.736 4.049 1.00 2.22 C ATOM 883 CE2 PHE A 60 7.550 0.792 2.941 1.00 1.62 C ATOM 884 CZ PHE A 60 7.617 2.188 3.105 1.00 0.70 C ATOM 0 H PHE A 60 7.924 -1.816 6.208 1.00 0.38 H new ATOM 0 HA PHE A 60 10.201 -1.115 7.655 1.00 0.40 H new ATOM 0 HB2 PHE A 60 10.980 -0.034 5.734 1.00 0.44 H new ATOM 0 HB3 PHE A 60 10.034 -1.402 5.184 1.00 0.44 H new ATOM 0 HD1 PHE A 60 9.987 2.319 5.558 1.00 2.11 H new ATOM 0 HD2 PHE A 60 8.345 -1.113 3.563 1.00 1.68 H new ATOM 0 HE1 PHE A 60 8.575 3.808 4.159 1.00 2.22 H new ATOM 0 HE2 PHE A 60 6.881 0.365 2.209 1.00 1.62 H new ATOM 0 HZ PHE A 60 6.992 2.835 2.508 1.00 0.70 H new ATOM 894 N GLU A 61 7.908 1.188 7.852 1.00 0.33 N ATOM 895 CA GLU A 61 7.532 2.469 8.460 1.00 0.38 C ATOM 896 C GLU A 61 6.386 2.322 9.486 1.00 0.37 C ATOM 897 O GLU A 61 6.064 3.279 10.184 1.00 0.52 O ATOM 898 CB GLU A 61 7.268 3.472 7.320 1.00 0.46 C ATOM 899 CG GLU A 61 6.843 4.889 7.734 1.00 1.44 C ATOM 900 CD GLU A 61 6.721 5.834 6.541 1.00 2.09 C ATOM 901 OE1 GLU A 61 6.917 5.367 5.398 1.00 3.09 O ATOM 902 OE2 GLU A 61 6.469 7.033 6.772 1.00 2.77 O ATOM 0 H GLU A 61 7.113 0.676 7.469 1.00 0.33 H new ATOM 0 HA GLU A 61 8.346 2.863 9.068 1.00 0.38 H new ATOM 0 HB2 GLU A 61 8.174 3.550 6.719 1.00 0.46 H new ATOM 0 HB3 GLU A 61 6.492 3.058 6.675 1.00 0.46 H new ATOM 0 HG2 GLU A 61 5.887 4.841 8.255 1.00 1.44 H new ATOM 0 HG3 GLU A 61 7.570 5.291 8.440 1.00 1.44 H new ATOM 909 N HIS A 62 5.792 1.128 9.628 1.00 0.29 N ATOM 910 CA HIS A 62 4.727 0.836 10.588 1.00 0.31 C ATOM 911 C HIS A 62 3.470 1.670 10.288 1.00 0.31 C ATOM 912 O HIS A 62 3.016 2.467 11.118 1.00 0.42 O ATOM 913 CB HIS A 62 5.197 1.014 12.047 1.00 0.36 C ATOM 914 CG HIS A 62 6.391 0.197 12.490 1.00 0.48 C ATOM 915 ND1 HIS A 62 7.181 -0.629 11.722 1.00 0.48 N ATOM 916 CD2 HIS A 62 6.885 0.151 13.767 1.00 1.03 C ATOM 917 CE1 HIS A 62 8.118 -1.162 12.523 1.00 0.82 C ATOM 918 NE2 HIS A 62 7.978 -0.719 13.781 1.00 1.24 N ATOM 0 H HIS A 62 6.049 0.320 9.061 1.00 0.29 H new ATOM 0 HA HIS A 62 4.463 -0.215 10.472 1.00 0.31 H new ATOM 0 HB2 HIS A 62 5.432 2.067 12.201 1.00 0.36 H new ATOM 0 HB3 HIS A 62 4.361 0.775 12.704 1.00 0.36 H new ATOM 0 HD1 HIS A 62 7.074 -0.805 10.723 1.00 0.48 H new ATOM 0 HD2 HIS A 62 6.497 0.694 14.616 1.00 1.03 H new ATOM 0 HE1 HIS A 62 8.881 -1.854 12.198 1.00 0.82 H new ATOM 926 N LEU A 63 2.886 1.478 9.099 1.00 0.28 N ATOM 927 CA LEU A 63 1.658 2.178 8.735 1.00 0.29 C ATOM 928 C LEU A 63 0.441 1.464 9.322 1.00 0.30 C ATOM 929 O LEU A 63 0.558 0.365 9.861 1.00 0.44 O ATOM 930 CB LEU A 63 1.538 2.358 7.217 1.00 0.35 C ATOM 931 CG LEU A 63 2.700 3.130 6.571 1.00 0.35 C ATOM 932 CD1 LEU A 63 3.086 4.401 7.336 1.00 1.02 C ATOM 933 CD2 LEU A 63 3.942 2.258 6.381 1.00 1.02 C ATOM 0 H LEU A 63 3.244 0.848 8.381 1.00 0.28 H new ATOM 0 HA LEU A 63 1.698 3.179 9.165 1.00 0.29 H new ATOM 0 HB2 LEU A 63 1.469 1.375 6.752 1.00 0.35 H new ATOM 0 HB3 LEU A 63 0.606 2.880 6.999 1.00 0.35 H new ATOM 0 HG LEU A 63 2.321 3.429 5.594 1.00 0.35 H new ATOM 0 HD11 LEU A 63 3.912 4.896 6.825 1.00 1.02 H new ATOM 0 HD12 LEU A 63 2.230 5.074 7.379 1.00 1.02 H new ATOM 0 HD13 LEU A 63 3.391 4.138 8.349 1.00 1.02 H new ATOM 0 HD21 LEU A 63 4.734 2.849 5.921 1.00 1.02 H new ATOM 0 HD22 LEU A 63 4.279 1.889 7.350 1.00 1.02 H new ATOM 0 HD23 LEU A 63 3.699 1.414 5.736 1.00 1.02 H new ATOM 945 N LYS A 64 -0.726 2.114 9.253 1.00 0.32 N ATOM 946 CA LYS A 64 -1.938 1.683 9.934 1.00 0.35 C ATOM 947 C LYS A 64 -3.104 1.815 8.957 1.00 0.52 C ATOM 948 O LYS A 64 -3.946 2.699 9.085 1.00 1.14 O ATOM 949 CB LYS A 64 -2.134 2.467 11.251 1.00 0.39 C ATOM 950 CG LYS A 64 -2.067 4.001 11.128 1.00 0.40 C ATOM 951 CD LYS A 64 -0.637 4.560 11.161 1.00 1.98 C ATOM 952 CE LYS A 64 -0.164 4.913 12.576 1.00 2.86 C ATOM 953 NZ LYS A 64 1.278 5.247 12.595 1.00 4.54 N ATOM 0 H LYS A 64 -0.850 2.969 8.711 1.00 0.32 H new ATOM 0 HA LYS A 64 -1.870 0.637 10.234 1.00 0.35 H new ATOM 0 HB2 LYS A 64 -3.101 2.196 11.674 1.00 0.39 H new ATOM 0 HB3 LYS A 64 -1.374 2.144 11.962 1.00 0.39 H new ATOM 0 HG2 LYS A 64 -2.545 4.303 10.196 1.00 0.40 H new ATOM 0 HG3 LYS A 64 -2.641 4.447 11.940 1.00 0.40 H new ATOM 0 HD2 LYS A 64 0.044 3.827 10.729 1.00 1.98 H new ATOM 0 HD3 LYS A 64 -0.586 5.450 10.534 1.00 1.98 H new ATOM 0 HE2 LYS A 64 -0.740 5.758 12.954 1.00 2.86 H new ATOM 0 HE3 LYS A 64 -0.354 4.073 13.245 1.00 2.86 H new ATOM 0 HZ1 LYS A 64 1.567 5.481 13.566 1.00 4.54 H new ATOM 0 HZ2 LYS A 64 1.828 4.431 12.257 1.00 4.54 H new ATOM 0 HZ3 LYS A 64 1.453 6.063 11.975 1.00 4.54 H new ATOM 967 N ILE A 65 -3.126 0.941 7.953 1.00 0.26 N ATOM 968 CA ILE A 65 -4.095 1.042 6.871 1.00 0.26 C ATOM 969 C ILE A 65 -5.427 0.460 7.350 1.00 0.35 C ATOM 970 O ILE A 65 -5.446 -0.603 7.969 1.00 0.51 O ATOM 971 CB ILE A 65 -3.621 0.311 5.597 1.00 0.31 C ATOM 972 CG1 ILE A 65 -2.110 0.455 5.357 1.00 0.34 C ATOM 973 CG2 ILE A 65 -4.456 0.764 4.394 1.00 0.41 C ATOM 974 CD1 ILE A 65 -1.605 0.056 3.969 1.00 0.56 C ATOM 0 H ILE A 65 -2.482 0.155 7.869 1.00 0.26 H new ATOM 0 HA ILE A 65 -4.212 2.093 6.608 1.00 0.26 H new ATOM 0 HB ILE A 65 -3.784 -0.757 5.740 1.00 0.31 H new ATOM 0 HG12 ILE A 65 -1.832 1.493 5.537 1.00 0.34 H new ATOM 0 HG13 ILE A 65 -1.586 -0.148 6.099 1.00 0.34 H new ATOM 0 HG21 ILE A 65 -4.116 0.244 3.498 1.00 0.41 H new ATOM 0 HG22 ILE A 65 -5.506 0.532 4.572 1.00 0.41 H new ATOM 0 HG23 ILE A 65 -4.341 1.839 4.255 1.00 0.41 H new ATOM 0 HD11 ILE A 65 -0.526 0.200 3.919 1.00 0.56 H new ATOM 0 HD12 ILE A 65 -1.840 -0.992 3.784 1.00 0.56 H new ATOM 0 HD13 ILE A 65 -2.089 0.675 3.214 1.00 0.56 H new ATOM 986 N ILE A 66 -6.535 1.148 7.066 1.00 0.35 N ATOM 987 CA ILE A 66 -7.881 0.734 7.445 1.00 0.37 C ATOM 988 C ILE A 66 -8.691 0.497 6.163 1.00 0.34 C ATOM 989 O ILE A 66 -8.621 1.322 5.250 1.00 0.32 O ATOM 990 CB ILE A 66 -8.519 1.832 8.320 1.00 0.43 C ATOM 991 CG1 ILE A 66 -7.691 2.084 9.597 1.00 0.55 C ATOM 992 CG2 ILE A 66 -9.960 1.487 8.720 1.00 0.51 C ATOM 993 CD1 ILE A 66 -7.150 3.514 9.629 1.00 1.37 C ATOM 0 H ILE A 66 -6.517 2.030 6.553 1.00 0.35 H new ATOM 0 HA ILE A 66 -7.861 -0.189 8.024 1.00 0.37 H new ATOM 0 HB ILE A 66 -8.532 2.736 7.711 1.00 0.43 H new ATOM 0 HG12 ILE A 66 -8.310 1.906 10.476 1.00 0.55 H new ATOM 0 HG13 ILE A 66 -6.862 1.377 9.642 1.00 0.55 H new ATOM 0 HG21 ILE A 66 -10.369 2.289 9.335 1.00 0.51 H new ATOM 0 HG22 ILE A 66 -10.569 1.372 7.823 1.00 0.51 H new ATOM 0 HG23 ILE A 66 -9.967 0.555 9.286 1.00 0.51 H new ATOM 0 HD11 ILE A 66 -6.570 3.663 10.540 1.00 1.37 H new ATOM 0 HD12 ILE A 66 -6.512 3.681 8.761 1.00 1.37 H new ATOM 0 HD13 ILE A 66 -7.982 4.218 9.609 1.00 1.37 H new ATOM 1005 N PRO A 67 -9.470 -0.592 6.056 1.00 0.43 N ATOM 1006 CA PRO A 67 -10.403 -0.763 4.953 1.00 0.53 C ATOM 1007 C PRO A 67 -11.507 0.295 5.054 1.00 0.66 C ATOM 1008 O PRO A 67 -12.436 0.151 5.847 1.00 0.97 O ATOM 1009 CB PRO A 67 -10.941 -2.193 5.085 1.00 0.74 C ATOM 1010 CG PRO A 67 -10.803 -2.499 6.576 1.00 0.76 C ATOM 1011 CD PRO A 67 -9.564 -1.704 6.991 1.00 0.56 C ATOM 0 HA PRO A 67 -9.941 -0.629 3.975 1.00 0.53 H new ATOM 0 HB2 PRO A 67 -11.978 -2.262 4.757 1.00 0.74 H new ATOM 0 HB3 PRO A 67 -10.367 -2.894 4.478 1.00 0.74 H new ATOM 0 HG2 PRO A 67 -11.686 -2.186 7.133 1.00 0.76 H new ATOM 0 HG3 PRO A 67 -10.674 -3.566 6.756 1.00 0.76 H new ATOM 0 HD2 PRO A 67 -9.656 -1.345 8.016 1.00 0.56 H new ATOM 0 HD3 PRO A 67 -8.669 -2.325 6.950 1.00 0.56 H new ATOM 1019 N GLU A 68 -11.401 1.368 4.262 1.00 0.63 N ATOM 1020 CA GLU A 68 -12.447 2.367 4.132 1.00 0.84 C ATOM 1021 C GLU A 68 -13.742 1.669 3.699 1.00 1.11 C ATOM 1022 O GLU A 68 -13.712 0.770 2.859 1.00 2.03 O ATOM 1023 CB GLU A 68 -12.014 3.451 3.121 1.00 1.15 C ATOM 1024 CG GLU A 68 -12.443 4.851 3.586 1.00 2.28 C ATOM 1025 CD GLU A 68 -12.116 5.958 2.577 1.00 2.74 C ATOM 1026 OE1 GLU A 68 -12.142 5.663 1.364 1.00 3.02 O ATOM 1027 OE2 GLU A 68 -11.826 7.089 3.042 1.00 3.96 O ATOM 0 H GLU A 68 -10.577 1.561 3.692 1.00 0.63 H new ATOM 0 HA GLU A 68 -12.623 2.864 5.086 1.00 0.84 H new ATOM 0 HB2 GLU A 68 -10.932 3.423 2.996 1.00 1.15 H new ATOM 0 HB3 GLU A 68 -12.453 3.239 2.146 1.00 1.15 H new ATOM 0 HG2 GLU A 68 -13.516 4.849 3.776 1.00 2.28 H new ATOM 0 HG3 GLU A 68 -11.952 5.077 4.533 1.00 2.28 H new ATOM 1034 N LYS A 69 -14.874 2.070 4.280 1.00 1.83 N ATOM 1035 CA LYS A 69 -16.175 1.541 3.898 1.00 2.23 C ATOM 1036 C LYS A 69 -16.459 1.879 2.430 1.00 2.82 C ATOM 1037 O LYS A 69 -16.063 2.945 1.960 1.00 3.99 O ATOM 1038 CB LYS A 69 -17.263 2.140 4.811 1.00 3.72 C ATOM 1039 CG LYS A 69 -17.973 1.100 5.686 1.00 4.28 C ATOM 1040 CD LYS A 69 -18.768 0.103 4.830 1.00 4.01 C ATOM 1041 CE LYS A 69 -19.815 -0.626 5.682 1.00 5.08 C ATOM 1042 NZ LYS A 69 -20.520 -1.655 4.891 1.00 4.99 N ATOM 0 H LYS A 69 -14.910 2.767 5.024 1.00 1.83 H new ATOM 0 HA LYS A 69 -16.178 0.457 4.013 1.00 2.23 H new ATOM 0 HB2 LYS A 69 -16.810 2.895 5.454 1.00 3.72 H new ATOM 0 HB3 LYS A 69 -18.003 2.649 4.194 1.00 3.72 H new ATOM 0 HG2 LYS A 69 -17.238 0.563 6.286 1.00 4.28 H new ATOM 0 HG3 LYS A 69 -18.645 1.604 6.381 1.00 4.28 H new ATOM 0 HD2 LYS A 69 -19.260 0.629 4.012 1.00 4.01 H new ATOM 0 HD3 LYS A 69 -18.089 -0.621 4.381 1.00 4.01 H new ATOM 0 HE2 LYS A 69 -19.330 -1.091 6.540 1.00 5.08 H new ATOM 0 HE3 LYS A 69 -20.535 0.093 6.073 1.00 5.08 H new ATOM 0 HZ1 LYS A 69 -21.222 -2.133 5.491 1.00 4.99 H new ATOM 0 HZ2 LYS A 69 -21.001 -1.205 4.086 1.00 4.99 H new ATOM 0 HZ3 LYS A 69 -19.834 -2.352 4.539 1.00 4.99 H new ATOM 1056 N GLU A 70 -17.175 0.997 1.726 1.00 3.19 N ATOM 1057 CA GLU A 70 -17.686 1.255 0.388 1.00 4.66 C ATOM 1058 C GLU A 70 -18.390 2.614 0.322 1.00 5.54 C ATOM 1059 O GLU A 70 -19.067 3.021 1.268 1.00 5.68 O ATOM 1060 CB GLU A 70 -18.670 0.148 -0.023 1.00 5.25 C ATOM 1061 CG GLU A 70 -17.984 -1.179 -0.385 1.00 6.45 C ATOM 1062 CD GLU A 70 -17.302 -1.871 0.792 1.00 6.87 C ATOM 1063 OE1 GLU A 70 -17.741 -1.620 1.944 1.00 7.09 O ATOM 1064 OE2 GLU A 70 -16.357 -2.637 0.513 1.00 7.63 O ATOM 0 H GLU A 70 -17.416 0.071 2.080 1.00 3.19 H new ATOM 0 HA GLU A 70 -16.840 1.267 -0.300 1.00 4.66 H new ATOM 0 HB2 GLU A 70 -19.371 -0.025 0.793 1.00 5.25 H new ATOM 0 HB3 GLU A 70 -19.254 0.491 -0.877 1.00 5.25 H new ATOM 0 HG2 GLU A 70 -18.726 -1.855 -0.809 1.00 6.45 H new ATOM 0 HG3 GLU A 70 -17.242 -0.992 -1.162 1.00 6.45 H new ATOM 1071 N ALA A 71 -18.251 3.280 -0.824 1.00 6.90 N ATOM 1072 CA ALA A 71 -18.862 4.539 -1.182 1.00 8.41 C ATOM 1073 C ALA A 71 -18.867 4.553 -2.710 1.00 10.03 C ATOM 1074 O ALA A 71 -18.174 3.670 -3.274 1.00 10.67 O ATOM 1075 CB ALA A 71 -18.032 5.697 -0.621 1.00 9.17 C ATOM 1076 OXT ALA A 71 -19.552 5.428 -3.281 1.00 10.95 O ATOM 0 H ALA A 71 -17.663 2.918 -1.575 1.00 6.90 H new ATOM 0 HA ALA A 71 -19.868 4.650 -0.778 1.00 8.41 H new ATOM 0 HB1 ALA A 71 -18.497 6.644 -0.894 1.00 9.17 H new ATOM 0 HB2 ALA A 71 -17.983 5.617 0.465 1.00 9.17 H new ATOM 0 HB3 ALA A 71 -17.024 5.656 -1.034 1.00 9.17 H new TER 1082 ALA A 71