USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 17 THR OG1 : rot 87:sc= -1.1 USER MOD Set 1.2: A 22 THR OG1 : rot -49:sc= -4.05! USER MOD Set 1.3: A 56 MET CE :methyl -174:sc= -3.54! (180deg=-2.58!) USER MOD Set 2.1: A 7 THR OG1 : rot -140:sc= -0.226 USER MOD Set 2.2: A 69 MET CE :methyl -118:sc= -1.71 (180deg=-4.12!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.311 (180deg=-1.48) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.0599 (180deg=-0.902) USER MOD Single : A 2 GLN : amide:sc= -0.937 K(o=-0.94,f=-3.3) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.191 (180deg=-0.648) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 0.538 (180deg=0.232) USER MOD Single : A 28 GLN : amide:sc=-0.00677 X(o=-0.0068,f=-0.069) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= -0.141 (180deg=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -4.86 X(o=-4.9,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -1.2 (180deg=-1.49) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.445 USER MOD Single : A 60 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= -0.099 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -4.42 K(o=-4.4,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.339 -0.089 0.133 1.00 61.23 N ATOM 2 CA MET A 1 3.262 -1.013 -0.205 1.00 43.34 C ATOM 3 C MET A 1 3.813 -2.402 -0.510 1.00 62.12 C ATOM 4 O MET A 1 5.024 -2.585 -0.637 1.00 54.33 O ATOM 5 CB MET A 1 2.472 -0.490 -1.406 1.00 74.13 C ATOM 6 CG MET A 1 1.836 0.870 -1.170 1.00 11.30 C ATOM 7 SD MET A 1 0.090 0.755 -0.733 1.00 64.20 S ATOM 8 CE MET A 1 0.201 0.109 0.934 1.00 13.20 C ATOM 0 H1 MET A 1 4.114 0.394 1.026 1.00 61.23 H new ATOM 0 H2 MET A 1 5.229 -0.617 0.240 1.00 61.23 H new ATOM 0 H3 MET A 1 4.443 0.615 -0.625 1.00 61.23 H new ATOM 0 HA MET A 1 2.596 -1.087 0.655 1.00 43.34 H new ATOM 0 HB2 MET A 1 3.137 -0.426 -2.268 1.00 74.13 H new ATOM 0 HB3 MET A 1 1.692 -1.208 -1.658 1.00 74.13 H new ATOM 0 HG2 MET A 1 2.373 1.384 -0.373 1.00 11.30 H new ATOM 0 HG3 MET A 1 1.942 1.477 -2.069 1.00 11.30 H new ATOM 0 HE1 MET A 1 -0.701 0.372 1.487 1.00 13.20 H new ATOM 0 HE2 MET A 1 0.302 -0.976 0.898 1.00 13.20 H new ATOM 0 HE3 MET A 1 1.070 0.538 1.433 1.00 13.20 H new ATOM 18 N GLN A 2 2.917 -3.377 -0.626 1.00 2.04 N ATOM 19 CA GLN A 2 3.315 -4.750 -0.914 1.00 45.44 C ATOM 20 C GLN A 2 3.087 -5.085 -2.385 1.00 12.24 C ATOM 21 O GLN A 2 2.181 -4.545 -3.021 1.00 3.34 O ATOM 22 CB GLN A 2 2.538 -5.725 -0.030 1.00 31.44 C ATOM 23 CG GLN A 2 1.030 -5.544 -0.102 1.00 4.50 C ATOM 24 CD GLN A 2 0.511 -4.562 0.930 1.00 52.34 C ATOM 25 OE1 GLN A 2 1.286 -3.872 1.593 1.00 30.42 O ATOM 26 NE2 GLN A 2 -0.808 -4.493 1.070 1.00 2.41 N ATOM 0 H GLN A 2 1.911 -3.242 -0.525 1.00 2.04 H new ATOM 0 HA GLN A 2 4.379 -4.846 -0.699 1.00 45.44 H new ATOM 0 HB2 GLN A 2 2.787 -6.745 -0.322 1.00 31.44 H new ATOM 0 HB3 GLN A 2 2.861 -5.602 1.004 1.00 31.44 H new ATOM 0 HG2 GLN A 2 0.757 -5.197 -1.098 1.00 4.50 H new ATOM 0 HG3 GLN A 2 0.545 -6.509 0.044 1.00 4.50 H new ATOM 0 HE21 GLN A 2 -1.413 -5.084 0.499 1.00 2.41 H new ATOM 0 HE22 GLN A 2 -1.216 -3.849 1.748 1.00 2.41 H new ATOM 35 N ILE A 3 3.913 -5.978 -2.918 1.00 21.31 N ATOM 36 CA ILE A 3 3.800 -6.386 -4.313 1.00 11.51 C ATOM 37 C ILE A 3 3.469 -7.870 -4.427 1.00 45.22 C ATOM 38 O ILE A 3 3.499 -8.601 -3.437 1.00 62.55 O ATOM 39 CB ILE A 3 5.098 -6.099 -5.090 1.00 41.32 C ATOM 40 CG1 ILE A 3 6.231 -6.993 -4.582 1.00 11.24 C ATOM 41 CG2 ILE A 3 5.478 -4.631 -4.964 1.00 55.24 C ATOM 42 CD1 ILE A 3 7.537 -6.790 -5.317 1.00 61.31 C ATOM 0 H ILE A 3 4.668 -6.433 -2.405 1.00 21.31 H new ATOM 0 HA ILE A 3 2.989 -5.802 -4.748 1.00 11.51 H new ATOM 0 HB ILE A 3 4.929 -6.321 -6.144 1.00 41.32 H new ATOM 0 HG12 ILE A 3 6.387 -6.800 -3.521 1.00 11.24 H new ATOM 0 HG13 ILE A 3 5.929 -8.036 -4.675 1.00 11.24 H new ATOM 0 HG21 ILE A 3 6.398 -4.444 -5.519 1.00 55.24 H new ATOM 0 HG22 ILE A 3 4.678 -4.012 -5.369 1.00 55.24 H new ATOM 0 HG23 ILE A 3 5.631 -4.384 -3.914 1.00 55.24 H new ATOM 0 HD11 ILE A 3 8.294 -7.456 -4.904 1.00 61.31 H new ATOM 0 HD12 ILE A 3 7.397 -7.011 -6.375 1.00 61.31 H new ATOM 0 HD13 ILE A 3 7.862 -5.756 -5.202 1.00 61.31 H new ATOM 54 N PHE A 4 3.156 -8.309 -5.642 1.00 2.22 N ATOM 55 CA PHE A 4 2.821 -9.707 -5.887 1.00 10.35 C ATOM 56 C PHE A 4 3.965 -10.424 -6.597 1.00 50.13 C ATOM 57 O PHE A 4 4.525 -9.912 -7.567 1.00 3.00 O ATOM 58 CB PHE A 4 1.543 -9.808 -6.722 1.00 21.00 C ATOM 59 CG PHE A 4 0.285 -9.751 -5.903 1.00 4.30 C ATOM 60 CD1 PHE A 4 0.094 -8.742 -4.972 1.00 64.41 C ATOM 61 CD2 PHE A 4 -0.706 -10.706 -6.064 1.00 3.43 C ATOM 62 CE1 PHE A 4 -1.062 -8.686 -4.217 1.00 71.51 C ATOM 63 CE2 PHE A 4 -1.864 -10.655 -5.312 1.00 13.41 C ATOM 64 CZ PHE A 4 -2.042 -9.645 -4.387 1.00 12.44 C ATOM 0 H PHE A 4 3.127 -7.717 -6.472 1.00 2.22 H new ATOM 0 HA PHE A 4 2.656 -10.190 -4.924 1.00 10.35 H new ATOM 0 HB2 PHE A 4 1.530 -8.997 -7.451 1.00 21.00 H new ATOM 0 HB3 PHE A 4 1.559 -10.742 -7.284 1.00 21.00 H new ATOM 0 HD1 PHE A 4 0.858 -7.991 -4.835 1.00 64.41 H new ATOM 0 HD2 PHE A 4 -0.572 -11.499 -6.785 1.00 3.43 H new ATOM 0 HE1 PHE A 4 -1.199 -7.894 -3.495 1.00 71.51 H new ATOM 0 HE2 PHE A 4 -2.630 -11.405 -5.447 1.00 13.41 H new ATOM 0 HZ PHE A 4 -2.946 -9.605 -3.797 1.00 12.44 H new ATOM 74 N ILE A 5 4.306 -11.611 -6.108 1.00 21.15 N ATOM 75 CA ILE A 5 5.382 -12.399 -6.696 1.00 3.15 C ATOM 76 C ILE A 5 4.903 -13.801 -7.056 1.00 43.14 C ATOM 77 O ILE A 5 4.104 -14.401 -6.337 1.00 40.41 O ATOM 78 CB ILE A 5 6.585 -12.510 -5.741 1.00 5.54 C ATOM 79 CG1 ILE A 5 7.154 -11.121 -5.438 1.00 73.42 C ATOM 80 CG2 ILE A 5 7.657 -13.407 -6.341 1.00 21.33 C ATOM 81 CD1 ILE A 5 6.798 -10.610 -4.060 1.00 20.13 C ATOM 0 H ILE A 5 3.853 -12.048 -5.306 1.00 21.15 H new ATOM 0 HA ILE A 5 5.694 -11.880 -7.602 1.00 3.15 H new ATOM 0 HB ILE A 5 6.247 -12.956 -4.806 1.00 5.54 H new ATOM 0 HG12 ILE A 5 8.239 -11.152 -5.536 1.00 73.42 H new ATOM 0 HG13 ILE A 5 6.787 -10.416 -6.184 1.00 73.42 H new ATOM 0 HG21 ILE A 5 8.501 -13.475 -5.654 1.00 21.33 H new ATOM 0 HG22 ILE A 5 7.246 -14.402 -6.511 1.00 21.33 H new ATOM 0 HG23 ILE A 5 7.994 -12.987 -7.289 1.00 21.33 H new ATOM 0 HD11 ILE A 5 7.234 -9.622 -3.915 1.00 20.13 H new ATOM 0 HD12 ILE A 5 5.714 -10.546 -3.965 1.00 20.13 H new ATOM 0 HD13 ILE A 5 7.189 -11.294 -3.306 1.00 20.13 H new ATOM 93 N LYS A 6 5.399 -14.320 -8.175 1.00 14.32 N ATOM 94 CA LYS A 6 5.025 -15.653 -8.631 1.00 72.14 C ATOM 95 C LYS A 6 6.263 -16.492 -8.934 1.00 14.43 C ATOM 96 O LYS A 6 7.221 -16.008 -9.537 1.00 42.00 O ATOM 97 CB LYS A 6 4.143 -15.559 -9.878 1.00 55.13 C ATOM 98 CG LYS A 6 3.768 -16.910 -10.462 1.00 34.35 C ATOM 99 CD LYS A 6 4.710 -17.315 -11.582 1.00 44.03 C ATOM 100 CE LYS A 6 4.203 -16.841 -12.936 1.00 22.13 C ATOM 101 NZ LYS A 6 4.523 -15.407 -13.177 1.00 5.11 N ATOM 0 H LYS A 6 6.061 -13.837 -8.782 1.00 14.32 H new ATOM 0 HA LYS A 6 4.465 -16.139 -7.832 1.00 72.14 H new ATOM 0 HB2 LYS A 6 3.232 -15.015 -9.628 1.00 55.13 H new ATOM 0 HB3 LYS A 6 4.664 -14.976 -10.638 1.00 55.13 H new ATOM 0 HG2 LYS A 6 3.790 -17.665 -9.676 1.00 34.35 H new ATOM 0 HG3 LYS A 6 2.746 -16.873 -10.840 1.00 34.35 H new ATOM 0 HD2 LYS A 6 5.699 -16.897 -11.396 1.00 44.03 H new ATOM 0 HD3 LYS A 6 4.819 -18.399 -11.593 1.00 44.03 H new ATOM 0 HE2 LYS A 6 4.647 -17.450 -13.724 1.00 22.13 H new ATOM 0 HE3 LYS A 6 3.124 -16.987 -12.991 1.00 22.13 H new ATOM 0 HZ1 LYS A 6 4.429 -15.196 -14.191 1.00 5.11 H new ATOM 0 HZ2 LYS A 6 3.866 -14.809 -12.637 1.00 5.11 H new ATOM 0 HZ3 LYS A 6 5.498 -15.213 -12.872 1.00 5.11 H new ATOM 115 N THR A 7 6.236 -17.752 -8.512 1.00 74.11 N ATOM 116 CA THR A 7 7.355 -18.658 -8.738 1.00 11.20 C ATOM 117 C THR A 7 6.985 -19.751 -9.734 1.00 43.22 C ATOM 118 O THR A 7 5.823 -19.888 -10.119 1.00 0.35 O ATOM 119 CB THR A 7 7.822 -19.313 -7.424 1.00 55.23 C ATOM 120 OG1 THR A 7 9.015 -20.070 -7.652 1.00 23.25 O ATOM 121 CG2 THR A 7 6.740 -20.220 -6.858 1.00 14.23 C ATOM 0 H THR A 7 5.451 -18.168 -8.012 1.00 74.11 H new ATOM 0 HA THR A 7 8.169 -18.059 -9.146 1.00 11.20 H new ATOM 0 HB THR A 7 8.026 -18.523 -6.702 1.00 55.23 H new ATOM 0 HG1 THR A 7 8.974 -20.906 -7.142 1.00 23.25 H new ATOM 0 HG21 THR A 7 7.092 -20.671 -5.930 1.00 14.23 H new ATOM 0 HG22 THR A 7 5.842 -19.635 -6.659 1.00 14.23 H new ATOM 0 HG23 THR A 7 6.509 -21.005 -7.579 1.00 14.23 H new ATOM 129 N LEU A 8 7.980 -20.527 -10.149 1.00 70.50 N ATOM 130 CA LEU A 8 7.759 -21.610 -11.101 1.00 61.51 C ATOM 131 C LEU A 8 6.741 -22.610 -10.562 1.00 60.21 C ATOM 132 O LEU A 8 6.108 -23.342 -11.325 1.00 5.25 O ATOM 133 CB LEU A 8 9.077 -22.323 -11.408 1.00 4.00 C ATOM 134 CG LEU A 8 8.964 -23.651 -12.157 1.00 60.12 C ATOM 135 CD1 LEU A 8 8.353 -23.437 -13.533 1.00 70.33 C ATOM 136 CD2 LEU A 8 10.328 -24.315 -12.275 1.00 21.33 C ATOM 0 H LEU A 8 8.947 -20.427 -9.841 1.00 70.50 H new ATOM 0 HA LEU A 8 7.364 -21.177 -12.020 1.00 61.51 H new ATOM 0 HB2 LEU A 8 9.703 -21.650 -11.995 1.00 4.00 H new ATOM 0 HB3 LEU A 8 9.597 -22.503 -10.467 1.00 4.00 H new ATOM 0 HG LEU A 8 8.309 -24.312 -11.589 1.00 60.12 H new ATOM 0 HD11 LEU A 8 8.280 -24.393 -14.052 1.00 70.33 H new ATOM 0 HD12 LEU A 8 7.358 -23.006 -13.426 1.00 70.33 H new ATOM 0 HD13 LEU A 8 8.982 -22.759 -14.109 1.00 70.33 H new ATOM 0 HD21 LEU A 8 10.228 -25.259 -12.811 1.00 21.33 H new ATOM 0 HD22 LEU A 8 11.006 -23.658 -12.820 1.00 21.33 H new ATOM 0 HD23 LEU A 8 10.728 -24.504 -11.279 1.00 21.33 H new ATOM 148 N THR A 9 6.586 -22.635 -9.242 1.00 35.31 N ATOM 149 CA THR A 9 5.644 -23.544 -8.600 1.00 53.14 C ATOM 150 C THR A 9 4.210 -23.051 -8.758 1.00 11.33 C ATOM 151 O THR A 9 3.259 -23.764 -8.440 1.00 24.11 O ATOM 152 CB THR A 9 5.956 -23.710 -7.101 1.00 71.12 C ATOM 153 OG1 THR A 9 7.366 -23.602 -6.880 1.00 25.44 O ATOM 154 CG2 THR A 9 5.458 -25.054 -6.591 1.00 3.14 C ATOM 0 H THR A 9 7.101 -22.036 -8.596 1.00 35.31 H new ATOM 0 HA THR A 9 5.750 -24.510 -9.094 1.00 53.14 H new ATOM 0 HB THR A 9 5.442 -22.919 -6.555 1.00 71.12 H new ATOM 0 HG1 THR A 9 7.556 -23.707 -5.924 1.00 25.44 H new ATOM 0 HG21 THR A 9 5.689 -25.149 -5.530 1.00 3.14 H new ATOM 0 HG22 THR A 9 4.380 -25.121 -6.735 1.00 3.14 H new ATOM 0 HG23 THR A 9 5.948 -25.857 -7.142 1.00 3.14 H new ATOM 162 N GLY A 10 4.061 -21.825 -9.251 1.00 42.03 N ATOM 163 CA GLY A 10 2.739 -21.258 -9.443 1.00 2.34 C ATOM 164 C GLY A 10 2.136 -20.745 -8.150 1.00 53.12 C ATOM 165 O GLY A 10 0.917 -20.611 -8.035 1.00 22.32 O ATOM 0 H GLY A 10 4.832 -21.215 -9.521 1.00 42.03 H new ATOM 0 HA2 GLY A 10 2.798 -20.441 -10.162 1.00 2.34 H new ATOM 0 HA3 GLY A 10 2.081 -22.014 -9.872 1.00 2.34 H new ATOM 169 N LYS A 11 2.990 -20.458 -7.173 1.00 55.35 N ATOM 170 CA LYS A 11 2.535 -19.957 -5.882 1.00 11.03 C ATOM 171 C LYS A 11 2.626 -18.435 -5.825 1.00 62.43 C ATOM 172 O LYS A 11 3.467 -17.828 -6.489 1.00 61.01 O ATOM 173 CB LYS A 11 3.366 -20.571 -4.753 1.00 11.44 C ATOM 174 CG LYS A 11 2.668 -20.550 -3.404 1.00 3.35 C ATOM 175 CD LYS A 11 1.509 -21.531 -3.360 1.00 12.30 C ATOM 176 CE LYS A 11 1.997 -22.971 -3.377 1.00 74.31 C ATOM 177 NZ LYS A 11 0.907 -23.930 -3.045 1.00 75.03 N ATOM 0 H LYS A 11 4.001 -20.564 -7.251 1.00 55.35 H new ATOM 0 HA LYS A 11 1.491 -20.245 -5.756 1.00 11.03 H new ATOM 0 HB2 LYS A 11 3.609 -21.602 -5.011 1.00 11.44 H new ATOM 0 HB3 LYS A 11 4.310 -20.032 -4.673 1.00 11.44 H new ATOM 0 HG2 LYS A 11 3.384 -20.796 -2.619 1.00 3.35 H new ATOM 0 HG3 LYS A 11 2.302 -19.544 -3.198 1.00 3.35 H new ATOM 0 HD2 LYS A 11 0.917 -21.357 -2.461 1.00 12.30 H new ATOM 0 HD3 LYS A 11 0.852 -21.358 -4.212 1.00 12.30 H new ATOM 0 HE2 LYS A 11 2.400 -23.206 -4.362 1.00 74.31 H new ATOM 0 HE3 LYS A 11 2.812 -23.087 -2.663 1.00 74.31 H new ATOM 0 HZ1 LYS A 11 1.280 -24.901 -3.067 1.00 75.03 H new ATOM 0 HZ2 LYS A 11 0.539 -23.722 -2.095 1.00 75.03 H new ATOM 0 HZ3 LYS A 11 0.140 -23.838 -3.741 1.00 75.03 H new ATOM 191 N THR A 12 1.756 -17.824 -5.027 1.00 43.12 N ATOM 192 CA THR A 12 1.739 -16.374 -4.884 1.00 1.31 C ATOM 193 C THR A 12 2.360 -15.945 -3.559 1.00 53.23 C ATOM 194 O THR A 12 2.100 -16.548 -2.518 1.00 3.04 O ATOM 195 CB THR A 12 0.305 -15.818 -4.970 1.00 2.41 C ATOM 196 OG1 THR A 12 -0.269 -16.139 -6.242 1.00 13.24 O ATOM 197 CG2 THR A 12 0.297 -14.310 -4.770 1.00 52.43 C ATOM 0 H THR A 12 1.054 -18.311 -4.470 1.00 43.12 H new ATOM 0 HA THR A 12 2.328 -15.968 -5.706 1.00 1.31 H new ATOM 0 HB THR A 12 -0.288 -16.277 -4.178 1.00 2.41 H new ATOM 0 HG1 THR A 12 -1.181 -15.784 -6.288 1.00 13.24 H new ATOM 0 HG21 THR A 12 -0.726 -13.940 -4.835 1.00 52.43 H new ATOM 0 HG22 THR A 12 0.708 -14.071 -3.789 1.00 52.43 H new ATOM 0 HG23 THR A 12 0.904 -13.837 -5.542 1.00 52.43 H new ATOM 205 N ILE A 13 3.179 -14.900 -3.606 1.00 42.01 N ATOM 206 CA ILE A 13 3.835 -14.390 -2.408 1.00 51.24 C ATOM 207 C ILE A 13 3.836 -12.865 -2.390 1.00 25.03 C ATOM 208 O ILE A 13 4.155 -12.220 -3.390 1.00 33.53 O ATOM 209 CB ILE A 13 5.286 -14.895 -2.303 1.00 1.23 C ATOM 210 CG1 ILE A 13 5.344 -16.403 -2.556 1.00 2.41 C ATOM 211 CG2 ILE A 13 5.866 -14.559 -0.937 1.00 14.23 C ATOM 212 CD1 ILE A 13 6.740 -16.978 -2.460 1.00 32.23 C ATOM 0 H ILE A 13 3.404 -14.390 -4.460 1.00 42.01 H new ATOM 0 HA ILE A 13 3.268 -14.761 -1.554 1.00 51.24 H new ATOM 0 HB ILE A 13 5.885 -14.395 -3.064 1.00 1.23 H new ATOM 0 HG12 ILE A 13 4.701 -16.909 -1.836 1.00 2.41 H new ATOM 0 HG13 ILE A 13 4.941 -16.613 -3.547 1.00 2.41 H new ATOM 0 HG21 ILE A 13 6.892 -14.922 -0.878 1.00 14.23 H new ATOM 0 HG22 ILE A 13 5.855 -13.479 -0.793 1.00 14.23 H new ATOM 0 HG23 ILE A 13 5.267 -15.035 -0.160 1.00 14.23 H new ATOM 0 HD11 ILE A 13 6.706 -18.051 -2.651 1.00 32.23 H new ATOM 0 HD12 ILE A 13 7.383 -16.499 -3.199 1.00 32.23 H new ATOM 0 HD13 ILE A 13 7.139 -16.800 -1.462 1.00 32.23 H new ATOM 224 N THR A 14 3.480 -12.292 -1.244 1.00 61.30 N ATOM 225 CA THR A 14 3.441 -10.843 -1.094 1.00 32.22 C ATOM 226 C THR A 14 4.388 -10.379 0.006 1.00 4.52 C ATOM 227 O THR A 14 4.597 -11.080 0.996 1.00 42.23 O ATOM 228 CB THR A 14 2.017 -10.350 -0.772 1.00 25.23 C ATOM 229 OG1 THR A 14 1.563 -10.933 0.455 1.00 2.40 O ATOM 230 CG2 THR A 14 1.055 -10.705 -1.895 1.00 33.33 C ATOM 0 H THR A 14 3.215 -12.810 -0.406 1.00 61.30 H new ATOM 0 HA THR A 14 3.758 -10.418 -2.046 1.00 32.22 H new ATOM 0 HB THR A 14 2.046 -9.265 -0.669 1.00 25.23 H new ATOM 0 HG1 THR A 14 0.658 -10.614 0.654 1.00 2.40 H new ATOM 0 HG21 THR A 14 0.056 -10.347 -1.645 1.00 33.33 H new ATOM 0 HG22 THR A 14 1.388 -10.236 -2.821 1.00 33.33 H new ATOM 0 HG23 THR A 14 1.031 -11.787 -2.025 1.00 33.33 H new ATOM 238 N ALA A 15 4.959 -9.192 -0.173 1.00 41.21 N ATOM 239 CA ALA A 15 5.883 -8.632 0.806 1.00 34.52 C ATOM 240 C ALA A 15 6.119 -7.148 0.552 1.00 3.40 C ATOM 241 O ALA A 15 5.826 -6.640 -0.530 1.00 4.01 O ATOM 242 CB ALA A 15 7.201 -9.391 0.781 1.00 23.03 C ATOM 0 H ALA A 15 4.798 -8.599 -0.987 1.00 41.21 H new ATOM 0 HA ALA A 15 5.435 -8.737 1.794 1.00 34.52 H new ATOM 0 HB1 ALA A 15 7.882 -8.963 1.517 1.00 23.03 H new ATOM 0 HB2 ALA A 15 7.022 -10.439 1.020 1.00 23.03 H new ATOM 0 HB3 ALA A 15 7.645 -9.316 -0.211 1.00 23.03 H new ATOM 248 N GLU A 16 6.650 -6.457 1.556 1.00 24.34 N ATOM 249 CA GLU A 16 6.924 -5.030 1.440 1.00 4.24 C ATOM 250 C GLU A 16 8.410 -4.779 1.199 1.00 1.21 C ATOM 251 O GLU A 16 9.266 -5.487 1.730 1.00 21.22 O ATOM 252 CB GLU A 16 6.471 -4.296 2.704 1.00 32.55 C ATOM 253 CG GLU A 16 7.258 -4.680 3.946 1.00 4.41 C ATOM 254 CD GLU A 16 6.675 -4.085 5.213 1.00 4.13 C ATOM 255 OE1 GLU A 16 6.084 -2.988 5.135 1.00 13.33 O ATOM 256 OE2 GLU A 16 6.811 -4.716 6.282 1.00 12.33 O ATOM 0 H GLU A 16 6.899 -6.862 2.458 1.00 24.34 H new ATOM 0 HA GLU A 16 6.365 -4.648 0.586 1.00 4.24 H new ATOM 0 HB2 GLU A 16 6.564 -3.222 2.543 1.00 32.55 H new ATOM 0 HB3 GLU A 16 5.415 -4.503 2.875 1.00 32.55 H new ATOM 0 HG2 GLU A 16 7.280 -5.766 4.036 1.00 4.41 H new ATOM 0 HG3 GLU A 16 8.290 -4.348 3.835 1.00 4.41 H new ATOM 263 N THR A 17 8.710 -3.765 0.393 1.00 52.11 N ATOM 264 CA THR A 17 10.091 -3.421 0.079 1.00 53.41 C ATOM 265 C THR A 17 10.345 -1.931 0.280 1.00 61.04 C ATOM 266 O THR A 17 9.434 -1.177 0.621 1.00 61.53 O ATOM 267 CB THR A 17 10.449 -3.800 -1.370 1.00 73.33 C ATOM 268 OG1 THR A 17 11.869 -3.769 -1.548 1.00 42.54 O ATOM 269 CG2 THR A 17 9.787 -2.851 -2.358 1.00 4.53 C ATOM 0 H THR A 17 8.015 -3.168 -0.054 1.00 52.11 H new ATOM 0 HA THR A 17 10.722 -3.990 0.762 1.00 53.41 H new ATOM 0 HB THR A 17 10.082 -4.809 -1.559 1.00 73.33 H new ATOM 0 HG1 THR A 17 12.249 -4.636 -1.296 1.00 42.54 H new ATOM 0 HG21 THR A 17 10.055 -3.139 -3.375 1.00 4.53 H new ATOM 0 HG22 THR A 17 8.704 -2.900 -2.240 1.00 4.53 H new ATOM 0 HG23 THR A 17 10.127 -1.833 -2.168 1.00 4.53 H new ATOM 277 N GLU A 18 11.589 -1.514 0.065 1.00 52.51 N ATOM 278 CA GLU A 18 11.962 -0.113 0.223 1.00 54.31 C ATOM 279 C GLU A 18 11.830 0.638 -1.099 1.00 70.22 C ATOM 280 O GLU A 18 12.158 0.124 -2.169 1.00 3.30 O ATOM 281 CB GLU A 18 13.395 0.001 0.746 1.00 62.22 C ATOM 282 CG GLU A 18 13.491 0.007 2.262 1.00 2.22 C ATOM 283 CD GLU A 18 14.890 -0.303 2.759 1.00 11.54 C ATOM 284 OE1 GLU A 18 15.803 0.511 2.505 1.00 71.32 O ATOM 285 OE2 GLU A 18 15.072 -1.357 3.402 1.00 34.35 O ATOM 0 H GLU A 18 12.355 -2.125 -0.219 1.00 52.51 H new ATOM 0 HA GLU A 18 11.282 0.337 0.946 1.00 54.31 H new ATOM 0 HB2 GLU A 18 13.982 -0.831 0.357 1.00 62.22 H new ATOM 0 HB3 GLU A 18 13.843 0.916 0.358 1.00 62.22 H new ATOM 0 HG2 GLU A 18 13.184 0.983 2.638 1.00 2.22 H new ATOM 0 HG3 GLU A 18 12.794 -0.725 2.669 1.00 2.22 H new ATOM 292 N PRO A 19 11.337 1.883 -1.026 1.00 2.13 N ATOM 293 CA PRO A 19 11.150 2.732 -2.206 1.00 63.54 C ATOM 294 C PRO A 19 12.475 3.186 -2.809 1.00 42.31 C ATOM 295 O PRO A 19 12.558 3.478 -4.002 1.00 14.03 O ATOM 296 CB PRO A 19 10.371 3.931 -1.662 1.00 10.15 C ATOM 297 CG PRO A 19 10.722 3.985 -0.215 1.00 1.42 C ATOM 298 CD PRO A 19 10.925 2.559 0.216 1.00 40.10 C ATOM 0 HA PRO A 19 10.638 2.204 -3.010 1.00 63.54 H new ATOM 0 HB2 PRO A 19 10.654 4.852 -2.173 1.00 10.15 H new ATOM 0 HB3 PRO A 19 9.298 3.804 -1.805 1.00 10.15 H new ATOM 0 HG2 PRO A 19 11.625 4.573 -0.054 1.00 1.42 H new ATOM 0 HG3 PRO A 19 9.927 4.458 0.362 1.00 1.42 H new ATOM 0 HD2 PRO A 19 11.688 2.478 0.990 1.00 40.10 H new ATOM 0 HD3 PRO A 19 10.010 2.128 0.624 1.00 40.10 H new ATOM 306 N ALA A 20 13.510 3.244 -1.977 1.00 32.21 N ATOM 307 CA ALA A 20 14.831 3.661 -2.429 1.00 24.42 C ATOM 308 C ALA A 20 15.626 2.476 -2.969 1.00 54.32 C ATOM 309 O ALA A 20 16.504 2.641 -3.815 1.00 2.13 O ATOM 310 CB ALA A 20 15.589 4.333 -1.294 1.00 4.11 C ATOM 0 H ALA A 20 13.459 3.007 -0.986 1.00 32.21 H new ATOM 0 HA ALA A 20 14.701 4.378 -3.240 1.00 24.42 H new ATOM 0 HB1 ALA A 20 16.574 4.639 -1.646 1.00 4.11 H new ATOM 0 HB2 ALA A 20 15.036 5.209 -0.956 1.00 4.11 H new ATOM 0 HB3 ALA A 20 15.701 3.633 -0.466 1.00 4.11 H new ATOM 316 N GLU A 21 15.311 1.283 -2.475 1.00 15.23 N ATOM 317 CA GLU A 21 15.997 0.072 -2.908 1.00 20.10 C ATOM 318 C GLU A 21 15.048 -1.123 -2.902 1.00 20.10 C ATOM 319 O GLU A 21 15.013 -1.899 -1.946 1.00 43.11 O ATOM 320 CB GLU A 21 17.198 -0.212 -2.003 1.00 52.11 C ATOM 321 CG GLU A 21 18.530 0.186 -2.617 1.00 33.15 C ATOM 322 CD GLU A 21 19.636 0.302 -1.585 1.00 74.55 C ATOM 323 OE1 GLU A 21 19.509 -0.319 -0.509 1.00 64.20 O ATOM 324 OE2 GLU A 21 20.626 1.012 -1.854 1.00 43.33 O ATOM 0 H GLU A 21 14.585 1.129 -1.775 1.00 15.23 H new ATOM 0 HA GLU A 21 16.349 0.230 -3.928 1.00 20.10 H new ATOM 0 HB2 GLU A 21 17.067 0.322 -1.062 1.00 52.11 H new ATOM 0 HB3 GLU A 21 17.220 -1.276 -1.766 1.00 52.11 H new ATOM 0 HG2 GLU A 21 18.815 -0.551 -3.368 1.00 33.15 H new ATOM 0 HG3 GLU A 21 18.418 1.140 -3.133 1.00 33.15 H new ATOM 331 N THR A 22 14.278 -1.265 -3.976 1.00 72.22 N ATOM 332 CA THR A 22 13.327 -2.363 -4.095 1.00 70.32 C ATOM 333 C THR A 22 14.038 -3.674 -4.414 1.00 14.23 C ATOM 334 O THR A 22 13.631 -4.740 -3.952 1.00 70.33 O ATOM 335 CB THR A 22 12.278 -2.083 -5.188 1.00 2.52 C ATOM 336 OG1 THR A 22 11.137 -2.926 -5.000 1.00 33.24 O ATOM 337 CG2 THR A 22 12.864 -2.315 -6.572 1.00 51.45 C ATOM 0 H THR A 22 14.294 -0.633 -4.776 1.00 72.22 H new ATOM 0 HA THR A 22 12.823 -2.450 -3.132 1.00 70.32 H new ATOM 0 HB THR A 22 11.974 -1.039 -5.110 1.00 2.52 H new ATOM 0 HG1 THR A 22 11.432 -3.853 -4.877 1.00 33.24 H new ATOM 0 HG21 THR A 22 12.105 -2.111 -7.327 1.00 51.45 H new ATOM 0 HG22 THR A 22 13.714 -1.650 -6.723 1.00 51.45 H new ATOM 0 HG23 THR A 22 13.193 -3.350 -6.659 1.00 51.45 H new ATOM 345 N VAL A 23 15.102 -3.587 -5.205 1.00 23.31 N ATOM 346 CA VAL A 23 15.871 -4.767 -5.584 1.00 1.33 C ATOM 347 C VAL A 23 16.760 -5.235 -4.437 1.00 42.31 C ATOM 348 O VAL A 23 16.697 -6.391 -4.021 1.00 61.23 O ATOM 349 CB VAL A 23 16.748 -4.492 -6.820 1.00 2.14 C ATOM 350 CG1 VAL A 23 17.574 -5.720 -7.172 1.00 50.33 C ATOM 351 CG2 VAL A 23 15.888 -4.061 -7.998 1.00 33.41 C ATOM 0 H VAL A 23 15.452 -2.712 -5.596 1.00 23.31 H new ATOM 0 HA VAL A 23 15.152 -5.550 -5.825 1.00 1.33 H new ATOM 0 HB VAL A 23 17.434 -3.678 -6.584 1.00 2.14 H new ATOM 0 HG11 VAL A 23 18.187 -5.507 -8.048 1.00 50.33 H new ATOM 0 HG12 VAL A 23 18.218 -5.978 -6.332 1.00 50.33 H new ATOM 0 HG13 VAL A 23 16.909 -6.556 -7.389 1.00 50.33 H new ATOM 0 HG21 VAL A 23 16.524 -3.871 -8.863 1.00 33.41 H new ATOM 0 HG22 VAL A 23 15.177 -4.851 -8.238 1.00 33.41 H new ATOM 0 HG23 VAL A 23 15.346 -3.151 -7.739 1.00 33.41 H new ATOM 361 N ALA A 24 17.588 -4.328 -3.930 1.00 4.44 N ATOM 362 CA ALA A 24 18.489 -4.647 -2.829 1.00 0.52 C ATOM 363 C ALA A 24 17.726 -5.242 -1.650 1.00 42.41 C ATOM 364 O ALA A 24 18.195 -6.179 -1.005 1.00 30.42 O ATOM 365 CB ALA A 24 19.251 -3.404 -2.393 1.00 41.34 C ATOM 0 H ALA A 24 17.654 -3.366 -4.264 1.00 4.44 H new ATOM 0 HA ALA A 24 19.202 -5.393 -3.181 1.00 0.52 H new ATOM 0 HB1 ALA A 24 19.920 -3.657 -1.570 1.00 41.34 H new ATOM 0 HB2 ALA A 24 19.835 -3.022 -3.231 1.00 41.34 H new ATOM 0 HB3 ALA A 24 18.545 -2.641 -2.065 1.00 41.34 H new ATOM 371 N ASP A 25 16.549 -4.690 -1.374 1.00 64.52 N ATOM 372 CA ASP A 25 15.721 -5.167 -0.273 1.00 21.42 C ATOM 373 C ASP A 25 15.291 -6.613 -0.503 1.00 13.33 C ATOM 374 O ASP A 25 15.238 -7.412 0.433 1.00 64.54 O ATOM 375 CB ASP A 25 14.490 -4.275 -0.109 1.00 74.22 C ATOM 376 CG ASP A 25 13.401 -4.936 0.714 1.00 4.10 C ATOM 377 OD1 ASP A 25 12.566 -5.655 0.126 1.00 24.23 O ATOM 378 OD2 ASP A 25 13.385 -4.734 1.946 1.00 22.31 O ATOM 0 H ASP A 25 16.147 -3.912 -1.898 1.00 64.52 H new ATOM 0 HA ASP A 25 16.314 -5.125 0.640 1.00 21.42 H new ATOM 0 HB2 ASP A 25 14.784 -3.339 0.367 1.00 74.22 H new ATOM 0 HB3 ASP A 25 14.095 -4.022 -1.093 1.00 74.22 H new ATOM 383 N LEU A 26 14.982 -6.941 -1.752 1.00 43.15 N ATOM 384 CA LEU A 26 14.555 -8.290 -2.106 1.00 31.21 C ATOM 385 C LEU A 26 15.748 -9.238 -2.176 1.00 72.24 C ATOM 386 O LEU A 26 15.641 -10.415 -1.832 1.00 34.34 O ATOM 387 CB LEU A 26 13.818 -8.278 -3.447 1.00 25.44 C ATOM 388 CG LEU A 26 12.957 -9.505 -3.750 1.00 12.41 C ATOM 389 CD1 LEU A 26 11.656 -9.090 -4.420 1.00 61.34 C ATOM 390 CD2 LEU A 26 13.719 -10.489 -4.624 1.00 25.40 C ATOM 0 H LEU A 26 15.019 -6.291 -2.537 1.00 43.15 H new ATOM 0 HA LEU A 26 13.877 -8.646 -1.330 1.00 31.21 H new ATOM 0 HB2 LEU A 26 13.181 -7.394 -3.481 1.00 25.44 H new ATOM 0 HB3 LEU A 26 14.555 -8.170 -4.243 1.00 25.44 H new ATOM 0 HG LEU A 26 12.716 -9.998 -2.808 1.00 12.41 H new ATOM 0 HD11 LEU A 26 11.056 -9.975 -4.629 1.00 61.34 H new ATOM 0 HD12 LEU A 26 11.102 -8.424 -3.758 1.00 61.34 H new ATOM 0 HD13 LEU A 26 11.876 -8.573 -5.354 1.00 61.34 H new ATOM 0 HD21 LEU A 26 13.091 -11.356 -4.829 1.00 25.40 H new ATOM 0 HD22 LEU A 26 13.990 -10.007 -5.563 1.00 25.40 H new ATOM 0 HD23 LEU A 26 14.623 -10.811 -4.107 1.00 25.40 H new ATOM 402 N LYS A 27 16.885 -8.717 -2.623 1.00 64.24 N ATOM 403 CA LYS A 27 18.101 -9.515 -2.736 1.00 74.01 C ATOM 404 C LYS A 27 18.495 -10.100 -1.384 1.00 11.03 C ATOM 405 O LYS A 27 18.966 -11.234 -1.302 1.00 41.11 O ATOM 406 CB LYS A 27 19.245 -8.663 -3.288 1.00 44.33 C ATOM 407 CG LYS A 27 19.062 -8.267 -4.743 1.00 41.12 C ATOM 408 CD LYS A 27 20.379 -8.298 -5.500 1.00 24.01 C ATOM 409 CE LYS A 27 20.616 -9.652 -6.152 1.00 54.42 C ATOM 410 NZ LYS A 27 21.734 -9.606 -7.135 1.00 35.21 N ATOM 0 H LYS A 27 16.991 -7.745 -2.913 1.00 64.24 H new ATOM 0 HA LYS A 27 17.904 -10.337 -3.424 1.00 74.01 H new ATOM 0 HB2 LYS A 27 19.339 -7.761 -2.684 1.00 44.33 H new ATOM 0 HB3 LYS A 27 20.180 -9.214 -3.185 1.00 44.33 H new ATOM 0 HG2 LYS A 27 18.352 -8.944 -5.219 1.00 41.12 H new ATOM 0 HG3 LYS A 27 18.634 -7.266 -4.797 1.00 41.12 H new ATOM 0 HD2 LYS A 27 20.379 -7.520 -6.264 1.00 24.01 H new ATOM 0 HD3 LYS A 27 21.198 -8.074 -4.817 1.00 24.01 H new ATOM 0 HE2 LYS A 27 20.839 -10.391 -5.383 1.00 54.42 H new ATOM 0 HE3 LYS A 27 19.705 -9.978 -6.653 1.00 54.42 H new ATOM 0 HZ1 LYS A 27 22.312 -10.466 -7.044 1.00 35.21 H new ATOM 0 HZ2 LYS A 27 21.347 -9.550 -8.099 1.00 35.21 H new ATOM 0 HZ3 LYS A 27 22.325 -8.770 -6.950 1.00 35.21 H new ATOM 424 N GLN A 28 18.297 -9.319 -0.326 1.00 64.52 N ATOM 425 CA GLN A 28 18.632 -9.762 1.022 1.00 1.23 C ATOM 426 C GLN A 28 17.592 -10.747 1.546 1.00 11.50 C ATOM 427 O GLN A 28 17.914 -11.663 2.302 1.00 21.04 O ATOM 428 CB GLN A 28 18.735 -8.561 1.965 1.00 63.43 C ATOM 429 CG GLN A 28 19.200 -8.926 3.366 1.00 53.24 C ATOM 430 CD GLN A 28 20.695 -9.161 3.442 1.00 44.41 C ATOM 431 OE1 GLN A 28 21.149 -10.287 3.648 1.00 40.30 O ATOM 432 NE2 GLN A 28 21.471 -8.096 3.276 1.00 43.23 N ATOM 0 H GLN A 28 17.907 -8.378 -0.377 1.00 64.52 H new ATOM 0 HA GLN A 28 19.597 -10.268 0.982 1.00 1.23 H new ATOM 0 HB2 GLN A 28 19.426 -7.834 1.540 1.00 63.43 H new ATOM 0 HB3 GLN A 28 17.761 -8.075 2.029 1.00 63.43 H new ATOM 0 HG2 GLN A 28 18.926 -8.127 4.055 1.00 53.24 H new ATOM 0 HG3 GLN A 28 18.678 -9.824 3.696 1.00 53.24 H new ATOM 0 HE21 GLN A 28 21.052 -7.181 3.107 1.00 43.23 H new ATOM 0 HE22 GLN A 28 22.486 -8.193 3.317 1.00 43.23 H new ATOM 441 N LYS A 29 16.342 -10.551 1.139 1.00 21.33 N ATOM 442 CA LYS A 29 15.253 -11.422 1.566 1.00 2.01 C ATOM 443 C LYS A 29 15.558 -12.879 1.232 1.00 43.45 C ATOM 444 O LYS A 29 15.490 -13.751 2.098 1.00 65.23 O ATOM 445 CB LYS A 29 13.943 -10.998 0.899 1.00 34.23 C ATOM 446 CG LYS A 29 13.278 -9.806 1.566 1.00 24.25 C ATOM 447 CD LYS A 29 12.052 -9.347 0.795 1.00 22.33 C ATOM 448 CE LYS A 29 10.857 -10.249 1.061 1.00 72.40 C ATOM 449 NZ LYS A 29 10.813 -11.404 0.121 1.00 4.22 N ATOM 0 H LYS A 29 16.058 -9.797 0.514 1.00 21.33 H new ATOM 0 HA LYS A 29 15.150 -11.330 2.647 1.00 2.01 H new ATOM 0 HB2 LYS A 29 14.139 -10.756 -0.146 1.00 34.23 H new ATOM 0 HB3 LYS A 29 13.252 -11.841 0.907 1.00 34.23 H new ATOM 0 HG2 LYS A 29 12.991 -10.071 2.584 1.00 24.25 H new ATOM 0 HG3 LYS A 29 13.991 -8.985 1.640 1.00 24.25 H new ATOM 0 HD2 LYS A 29 11.806 -8.323 1.076 1.00 22.33 H new ATOM 0 HD3 LYS A 29 12.274 -9.340 -0.272 1.00 22.33 H new ATOM 0 HE2 LYS A 29 10.901 -10.617 2.086 1.00 72.40 H new ATOM 0 HE3 LYS A 29 9.938 -9.671 0.969 1.00 72.40 H new ATOM 0 HZ1 LYS A 29 9.905 -11.404 -0.386 1.00 4.22 H new ATOM 0 HZ2 LYS A 29 11.592 -11.325 -0.563 1.00 4.22 H new ATOM 0 HZ3 LYS A 29 10.911 -12.291 0.656 1.00 4.22 H new ATOM 463 N ILE A 30 15.895 -13.133 -0.028 1.00 62.42 N ATOM 464 CA ILE A 30 16.213 -14.484 -0.475 1.00 41.12 C ATOM 465 C ILE A 30 17.598 -14.909 0.001 1.00 10.11 C ATOM 466 O ILE A 30 17.799 -16.049 0.419 1.00 41.22 O ATOM 467 CB ILE A 30 16.153 -14.598 -2.010 1.00 0.21 C ATOM 468 CG1 ILE A 30 14.725 -14.362 -2.505 1.00 53.01 C ATOM 469 CG2 ILE A 30 16.657 -15.961 -2.460 1.00 43.20 C ATOM 470 CD1 ILE A 30 14.366 -12.899 -2.639 1.00 55.34 C ATOM 0 H ILE A 30 15.955 -12.422 -0.757 1.00 62.42 H new ATOM 0 HA ILE A 30 15.463 -15.145 -0.040 1.00 41.12 H new ATOM 0 HB ILE A 30 16.798 -13.833 -2.442 1.00 0.21 H new ATOM 0 HG12 ILE A 30 14.599 -14.849 -3.472 1.00 53.01 H new ATOM 0 HG13 ILE A 30 14.027 -14.837 -1.816 1.00 53.01 H new ATOM 0 HG21 ILE A 30 16.608 -16.026 -3.547 1.00 43.20 H new ATOM 0 HG22 ILE A 30 17.689 -16.093 -2.134 1.00 43.20 H new ATOM 0 HG23 ILE A 30 16.035 -16.742 -2.022 1.00 43.20 H new ATOM 0 HD11 ILE A 30 13.340 -12.807 -2.994 1.00 55.34 H new ATOM 0 HD12 ILE A 30 14.459 -12.411 -1.669 1.00 55.34 H new ATOM 0 HD13 ILE A 30 15.040 -12.423 -3.351 1.00 55.34 H new ATOM 482 N ALA A 31 18.550 -13.983 -0.063 1.00 74.43 N ATOM 483 CA ALA A 31 19.915 -14.261 0.365 1.00 40.30 C ATOM 484 C ALA A 31 19.944 -14.799 1.792 1.00 44.44 C ATOM 485 O ALA A 31 20.573 -15.821 2.067 1.00 51.21 O ATOM 486 CB ALA A 31 20.768 -13.006 0.254 1.00 10.44 C ATOM 0 H ALA A 31 18.400 -13.034 -0.407 1.00 74.43 H new ATOM 0 HA ALA A 31 20.327 -15.027 -0.292 1.00 40.30 H new ATOM 0 HB1 ALA A 31 21.785 -13.228 0.577 1.00 10.44 H new ATOM 0 HB2 ALA A 31 20.782 -12.666 -0.782 1.00 10.44 H new ATOM 0 HB3 ALA A 31 20.349 -12.224 0.887 1.00 10.44 H new ATOM 492 N ASP A 32 19.262 -14.104 2.695 1.00 52.21 N ATOM 493 CA ASP A 32 19.209 -14.512 4.094 1.00 64.11 C ATOM 494 C ASP A 32 18.253 -15.686 4.282 1.00 42.30 C ATOM 495 O ASP A 32 18.358 -16.437 5.252 1.00 51.11 O ATOM 496 CB ASP A 32 18.776 -13.339 4.974 1.00 51.21 C ATOM 497 CG ASP A 32 18.717 -13.708 6.443 1.00 0.12 C ATOM 498 OD1 ASP A 32 19.691 -13.415 7.168 1.00 30.24 O ATOM 499 OD2 ASP A 32 17.697 -14.289 6.868 1.00 14.41 O ATOM 0 H ASP A 32 18.738 -13.255 2.483 1.00 52.21 H new ATOM 0 HA ASP A 32 20.208 -14.829 4.392 1.00 64.11 H new ATOM 0 HB2 ASP A 32 19.471 -12.511 4.838 1.00 51.21 H new ATOM 0 HB3 ASP A 32 17.796 -12.989 4.651 1.00 51.21 H new ATOM 504 N LYS A 33 17.320 -15.837 3.349 1.00 72.25 N ATOM 505 CA LYS A 33 16.344 -16.919 3.410 1.00 40.10 C ATOM 506 C LYS A 33 17.002 -18.263 3.114 1.00 2.23 C ATOM 507 O LYS A 33 16.777 -19.243 3.823 1.00 32.10 O ATOM 508 CB LYS A 33 15.208 -16.666 2.416 1.00 1.22 C ATOM 509 CG LYS A 33 14.238 -17.828 2.292 1.00 1.03 C ATOM 510 CD LYS A 33 12.843 -17.353 1.924 1.00 15.34 C ATOM 511 CE LYS A 33 12.057 -16.926 3.155 1.00 75.22 C ATOM 512 NZ LYS A 33 11.059 -15.868 2.836 1.00 15.11 N ATOM 0 H LYS A 33 17.219 -15.223 2.541 1.00 72.25 H new ATOM 0 HA LYS A 33 15.935 -16.949 4.420 1.00 40.10 H new ATOM 0 HB2 LYS A 33 14.659 -15.776 2.724 1.00 1.22 H new ATOM 0 HB3 LYS A 33 15.635 -16.454 1.436 1.00 1.22 H new ATOM 0 HG2 LYS A 33 14.598 -18.524 1.534 1.00 1.03 H new ATOM 0 HG3 LYS A 33 14.201 -18.374 3.235 1.00 1.03 H new ATOM 0 HD2 LYS A 33 12.914 -16.517 1.228 1.00 15.34 H new ATOM 0 HD3 LYS A 33 12.309 -18.152 1.409 1.00 15.34 H new ATOM 0 HE2 LYS A 33 11.546 -17.791 3.578 1.00 75.22 H new ATOM 0 HE3 LYS A 33 12.745 -16.558 3.916 1.00 75.22 H new ATOM 0 HZ1 LYS A 33 10.544 -15.604 3.700 1.00 15.11 H new ATOM 0 HZ2 LYS A 33 11.548 -15.033 2.456 1.00 15.11 H new ATOM 0 HZ3 LYS A 33 10.387 -16.227 2.129 1.00 15.11 H new ATOM 526 N GLU A 34 17.817 -18.300 2.065 1.00 40.54 N ATOM 527 CA GLU A 34 18.508 -19.524 1.677 1.00 11.21 C ATOM 528 C GLU A 34 19.995 -19.436 2.006 1.00 65.42 C ATOM 529 O GLU A 34 20.795 -20.243 1.533 1.00 43.33 O ATOM 530 CB GLU A 34 18.319 -19.791 0.182 1.00 5.23 C ATOM 531 CG GLU A 34 16.984 -20.430 -0.158 1.00 71.42 C ATOM 532 CD GLU A 34 16.993 -21.935 0.029 1.00 31.14 C ATOM 533 OE1 GLU A 34 17.978 -22.456 0.593 1.00 21.12 O ATOM 534 OE2 GLU A 34 16.016 -22.591 -0.387 1.00 71.45 O ATOM 0 H GLU A 34 18.015 -17.497 1.469 1.00 40.54 H new ATOM 0 HA GLU A 34 18.077 -20.350 2.243 1.00 11.21 H new ATOM 0 HB2 GLU A 34 18.411 -18.850 -0.361 1.00 5.23 H new ATOM 0 HB3 GLU A 34 19.122 -20.440 -0.167 1.00 5.23 H new ATOM 0 HG2 GLU A 34 16.207 -19.994 0.470 1.00 71.42 H new ATOM 0 HG3 GLU A 34 16.727 -20.198 -1.191 1.00 71.42 H new ATOM 541 N GLY A 35 20.359 -18.450 2.820 1.00 31.11 N ATOM 542 CA GLY A 35 21.749 -18.274 3.198 1.00 71.10 C ATOM 543 C GLY A 35 22.676 -18.241 1.999 1.00 30.51 C ATOM 544 O GLY A 35 23.817 -18.697 2.075 1.00 61.32 O ATOM 0 H GLY A 35 19.716 -17.770 3.225 1.00 31.11 H new ATOM 0 HA2 GLY A 35 21.855 -17.346 3.761 1.00 71.10 H new ATOM 0 HA3 GLY A 35 22.047 -19.085 3.862 1.00 71.10 H new ATOM 548 N VAL A 36 22.185 -17.702 0.888 1.00 71.43 N ATOM 549 CA VAL A 36 22.977 -17.613 -0.333 1.00 50.41 C ATOM 550 C VAL A 36 23.304 -16.162 -0.671 1.00 31.34 C ATOM 551 O VAL A 36 22.611 -15.232 -0.259 1.00 2.44 O ATOM 552 CB VAL A 36 22.243 -18.253 -1.526 1.00 65.14 C ATOM 553 CG1 VAL A 36 22.344 -19.770 -1.464 1.00 11.53 C ATOM 554 CG2 VAL A 36 20.789 -17.808 -1.559 1.00 2.33 C ATOM 0 H VAL A 36 21.242 -17.320 0.808 1.00 71.43 H new ATOM 0 HA VAL A 36 23.903 -18.159 -0.150 1.00 50.41 H new ATOM 0 HB VAL A 36 22.722 -17.918 -2.446 1.00 65.14 H new ATOM 0 HG11 VAL A 36 21.820 -20.205 -2.315 1.00 11.53 H new ATOM 0 HG12 VAL A 36 23.393 -20.066 -1.494 1.00 11.53 H new ATOM 0 HG13 VAL A 36 21.892 -20.127 -0.538 1.00 11.53 H new ATOM 0 HG21 VAL A 36 20.286 -18.270 -2.409 1.00 2.33 H new ATOM 0 HG22 VAL A 36 20.295 -18.111 -0.636 1.00 2.33 H new ATOM 0 HG23 VAL A 36 20.743 -16.723 -1.656 1.00 2.33 H new ATOM 564 N PRO A 37 24.385 -15.963 -1.439 1.00 51.02 N ATOM 565 CA PRO A 37 24.828 -14.628 -1.851 1.00 4.34 C ATOM 566 C PRO A 37 23.876 -13.984 -2.852 1.00 42.35 C ATOM 567 O PRO A 37 23.250 -14.671 -3.660 1.00 24.03 O ATOM 568 CB PRO A 37 26.190 -14.890 -2.499 1.00 73.34 C ATOM 569 CG PRO A 37 26.122 -16.305 -2.963 1.00 0.52 C ATOM 570 CD PRO A 37 25.257 -17.026 -1.966 1.00 42.24 C ATOM 0 HA PRO A 37 24.867 -13.935 -1.011 1.00 4.34 H new ATOM 0 HB2 PRO A 37 26.371 -14.209 -3.331 1.00 73.34 H new ATOM 0 HB3 PRO A 37 27.002 -14.745 -1.786 1.00 73.34 H new ATOM 0 HG2 PRO A 37 25.698 -16.367 -3.965 1.00 0.52 H new ATOM 0 HG3 PRO A 37 27.117 -16.749 -3.010 1.00 0.52 H new ATOM 0 HD2 PRO A 37 24.680 -17.823 -2.436 1.00 42.24 H new ATOM 0 HD3 PRO A 37 25.852 -17.486 -1.177 1.00 42.24 H new ATOM 578 N VAL A 38 23.771 -12.660 -2.796 1.00 4.33 N ATOM 579 CA VAL A 38 22.896 -11.923 -3.699 1.00 43.45 C ATOM 580 C VAL A 38 23.227 -12.229 -5.156 1.00 33.21 C ATOM 581 O VAL A 38 22.377 -12.096 -6.037 1.00 63.01 O ATOM 582 CB VAL A 38 23.003 -10.403 -3.469 1.00 70.51 C ATOM 583 CG1 VAL A 38 22.395 -10.023 -2.128 1.00 2.42 C ATOM 584 CG2 VAL A 38 24.453 -9.953 -3.554 1.00 4.32 C ATOM 0 H VAL A 38 24.282 -12.076 -2.134 1.00 4.33 H new ATOM 0 HA VAL A 38 21.877 -12.245 -3.485 1.00 43.45 H new ATOM 0 HB VAL A 38 22.442 -9.893 -4.252 1.00 70.51 H new ATOM 0 HG11 VAL A 38 22.479 -8.946 -1.982 1.00 2.42 H new ATOM 0 HG12 VAL A 38 21.344 -10.310 -2.111 1.00 2.42 H new ATOM 0 HG13 VAL A 38 22.926 -10.540 -1.328 1.00 2.42 H new ATOM 0 HG21 VAL A 38 24.510 -8.877 -3.389 1.00 4.32 H new ATOM 0 HG22 VAL A 38 25.039 -10.468 -2.793 1.00 4.32 H new ATOM 0 HG23 VAL A 38 24.850 -10.191 -4.541 1.00 4.32 H new ATOM 594 N ASP A 39 24.466 -12.641 -5.402 1.00 14.24 N ATOM 595 CA ASP A 39 24.909 -12.968 -6.752 1.00 33.43 C ATOM 596 C ASP A 39 24.077 -14.106 -7.336 1.00 21.34 C ATOM 597 O ASP A 39 24.024 -14.288 -8.552 1.00 2.44 O ATOM 598 CB ASP A 39 26.389 -13.353 -6.746 1.00 41.14 C ATOM 599 CG ASP A 39 27.297 -12.156 -6.544 1.00 44.15 C ATOM 600 OD1 ASP A 39 28.531 -12.346 -6.512 1.00 45.25 O ATOM 601 OD2 ASP A 39 26.774 -11.029 -6.419 1.00 62.14 O ATOM 0 H ASP A 39 25.181 -12.756 -4.684 1.00 14.24 H new ATOM 0 HA ASP A 39 24.773 -12.085 -7.377 1.00 33.43 H new ATOM 0 HB2 ASP A 39 26.569 -14.080 -5.954 1.00 41.14 H new ATOM 0 HB3 ASP A 39 26.639 -13.840 -7.689 1.00 41.14 H new ATOM 606 N GLN A 40 23.431 -14.869 -6.460 1.00 73.53 N ATOM 607 CA GLN A 40 22.603 -15.991 -6.890 1.00 3.32 C ATOM 608 C GLN A 40 21.170 -15.541 -7.151 1.00 14.25 C ATOM 609 O GLN A 40 20.398 -16.244 -7.801 1.00 73.43 O ATOM 610 CB GLN A 40 22.619 -17.097 -5.834 1.00 21.41 C ATOM 611 CG GLN A 40 22.432 -18.491 -6.411 1.00 32.33 C ATOM 612 CD GLN A 40 23.736 -19.113 -6.869 1.00 21.41 C ATOM 613 OE1 GLN A 40 24.539 -18.471 -7.546 1.00 63.32 O ATOM 614 NE2 GLN A 40 23.954 -20.371 -6.501 1.00 2.51 N ATOM 0 H GLN A 40 23.465 -14.731 -5.450 1.00 73.53 H new ATOM 0 HA GLN A 40 23.017 -16.380 -7.820 1.00 3.32 H new ATOM 0 HB2 GLN A 40 23.566 -17.060 -5.295 1.00 21.41 H new ATOM 0 HB3 GLN A 40 21.830 -16.905 -5.107 1.00 21.41 H new ATOM 0 HG2 GLN A 40 21.972 -19.133 -5.659 1.00 32.33 H new ATOM 0 HG3 GLN A 40 21.742 -18.442 -7.253 1.00 32.33 H new ATOM 0 HE21 GLN A 40 23.261 -20.866 -5.940 1.00 2.51 H new ATOM 0 HE22 GLN A 40 24.815 -20.842 -6.780 1.00 2.51 H new ATOM 623 N GLN A 41 20.821 -14.365 -6.638 1.00 61.00 N ATOM 624 CA GLN A 41 19.479 -13.823 -6.815 1.00 43.42 C ATOM 625 C GLN A 41 19.470 -12.730 -7.879 1.00 0.42 C ATOM 626 O GLN A 41 20.392 -11.918 -7.956 1.00 43.25 O ATOM 627 CB GLN A 41 18.952 -13.267 -5.491 1.00 42.32 C ATOM 628 CG GLN A 41 19.148 -14.209 -4.315 1.00 31.33 C ATOM 629 CD GLN A 41 18.818 -15.648 -4.659 1.00 23.43 C ATOM 630 OE1 GLN A 41 17.864 -15.922 -5.388 1.00 1.34 O ATOM 631 NE2 GLN A 41 19.608 -16.578 -4.135 1.00 22.40 N ATOM 0 H GLN A 41 21.449 -13.770 -6.097 1.00 61.00 H new ATOM 0 HA GLN A 41 18.828 -14.632 -7.146 1.00 43.42 H new ATOM 0 HB2 GLN A 41 19.454 -12.323 -5.277 1.00 42.32 H new ATOM 0 HB3 GLN A 41 17.890 -13.047 -5.596 1.00 42.32 H new ATOM 0 HG2 GLN A 41 20.182 -14.149 -3.974 1.00 31.33 H new ATOM 0 HG3 GLN A 41 18.520 -13.884 -3.486 1.00 31.33 H new ATOM 0 HE21 GLN A 41 20.388 -16.306 -3.536 1.00 22.40 H new ATOM 0 HE22 GLN A 41 19.435 -17.564 -4.332 1.00 22.40 H new ATOM 640 N ARG A 42 18.422 -12.715 -8.696 1.00 64.34 N ATOM 641 CA ARG A 42 18.294 -11.723 -9.757 1.00 2.13 C ATOM 642 C ARG A 42 16.889 -11.128 -9.778 1.00 21.41 C ATOM 643 O ARG A 42 15.924 -11.773 -9.364 1.00 4.44 O ATOM 644 CB ARG A 42 18.614 -12.352 -11.114 1.00 41.52 C ATOM 645 CG ARG A 42 20.074 -12.219 -11.518 1.00 35.52 C ATOM 646 CD ARG A 42 20.927 -13.309 -10.887 1.00 13.32 C ATOM 647 NE ARG A 42 22.190 -13.495 -11.596 1.00 54.33 N ATOM 648 CZ ARG A 42 23.242 -12.698 -11.445 1.00 73.03 C ATOM 649 NH1 ARG A 42 23.183 -11.667 -10.614 1.00 54.20 N ATOM 650 NH2 ARG A 42 24.356 -12.932 -12.126 1.00 62.52 N ATOM 0 H ARG A 42 17.649 -13.379 -8.644 1.00 64.34 H new ATOM 0 HA ARG A 42 19.006 -10.922 -9.559 1.00 2.13 H new ATOM 0 HB2 ARG A 42 18.348 -13.409 -11.087 1.00 41.52 H new ATOM 0 HB3 ARG A 42 17.991 -11.886 -11.877 1.00 41.52 H new ATOM 0 HG2 ARG A 42 20.159 -12.271 -12.603 1.00 35.52 H new ATOM 0 HG3 ARG A 42 20.449 -11.241 -11.216 1.00 35.52 H new ATOM 0 HD2 ARG A 42 21.129 -13.054 -9.847 1.00 13.32 H new ATOM 0 HD3 ARG A 42 20.372 -14.247 -10.883 1.00 13.32 H new ATOM 0 HE ARG A 42 22.269 -14.280 -12.243 1.00 54.33 H new ATOM 0 HH11 ARG A 42 22.328 -11.484 -10.088 1.00 54.20 H new ATOM 0 HH12 ARG A 42 23.992 -11.057 -10.500 1.00 54.20 H new ATOM 0 HH21 ARG A 42 24.405 -13.724 -12.766 1.00 62.52 H new ATOM 0 HH22 ARG A 42 25.163 -12.319 -12.009 1.00 62.52 H new ATOM 664 N LEU A 43 16.781 -9.896 -10.262 1.00 60.25 N ATOM 665 CA LEU A 43 15.494 -9.214 -10.338 1.00 11.35 C ATOM 666 C LEU A 43 15.003 -9.134 -11.779 1.00 72.45 C ATOM 667 O LEU A 43 15.722 -8.672 -12.666 1.00 20.23 O ATOM 668 CB LEU A 43 15.605 -7.807 -9.746 1.00 71.34 C ATOM 669 CG LEU A 43 15.136 -7.648 -8.300 1.00 31.22 C ATOM 670 CD1 LEU A 43 13.653 -7.965 -8.181 1.00 42.04 C ATOM 671 CD2 LEU A 43 15.949 -8.541 -7.374 1.00 64.02 C ATOM 0 H LEU A 43 17.569 -9.349 -10.608 1.00 60.25 H new ATOM 0 HA LEU A 43 14.771 -9.790 -9.760 1.00 11.35 H new ATOM 0 HB2 LEU A 43 16.646 -7.491 -9.806 1.00 71.34 H new ATOM 0 HB3 LEU A 43 15.028 -7.125 -10.371 1.00 71.34 H new ATOM 0 HG LEU A 43 15.290 -6.611 -8.001 1.00 31.22 H new ATOM 0 HD11 LEU A 43 13.338 -7.846 -7.144 1.00 42.04 H new ATOM 0 HD12 LEU A 43 13.084 -7.284 -8.814 1.00 42.04 H new ATOM 0 HD13 LEU A 43 13.474 -8.992 -8.499 1.00 42.04 H new ATOM 0 HD21 LEU A 43 15.601 -8.415 -6.349 1.00 64.02 H new ATOM 0 HD22 LEU A 43 15.827 -9.582 -7.673 1.00 64.02 H new ATOM 0 HD23 LEU A 43 17.002 -8.267 -7.436 1.00 64.02 H new ATOM 683 N ILE A 44 13.774 -9.586 -12.006 1.00 60.12 N ATOM 684 CA ILE A 44 13.186 -9.563 -13.340 1.00 1.12 C ATOM 685 C ILE A 44 11.749 -9.056 -13.298 1.00 54.32 C ATOM 686 O ILE A 44 10.981 -9.406 -12.402 1.00 30.33 O ATOM 687 CB ILE A 44 13.207 -10.959 -13.989 1.00 23.42 C ATOM 688 CG1 ILE A 44 14.646 -11.466 -14.113 1.00 34.55 C ATOM 689 CG2 ILE A 44 12.535 -10.920 -15.353 1.00 14.12 C ATOM 690 CD1 ILE A 44 14.751 -12.836 -14.746 1.00 61.01 C ATOM 0 H ILE A 44 13.166 -9.972 -11.284 1.00 60.12 H new ATOM 0 HA ILE A 44 13.791 -8.884 -13.940 1.00 1.12 H new ATOM 0 HB ILE A 44 12.652 -11.648 -13.352 1.00 23.42 H new ATOM 0 HG12 ILE A 44 15.223 -10.756 -14.705 1.00 34.55 H new ATOM 0 HG13 ILE A 44 15.099 -11.497 -13.122 1.00 34.55 H new ATOM 0 HG21 ILE A 44 12.558 -11.915 -15.799 1.00 14.12 H new ATOM 0 HG22 ILE A 44 11.500 -10.597 -15.240 1.00 14.12 H new ATOM 0 HG23 ILE A 44 13.065 -10.220 -16.000 1.00 14.12 H new ATOM 0 HD11 ILE A 44 15.799 -13.132 -14.802 1.00 61.01 H new ATOM 0 HD12 ILE A 44 14.202 -13.559 -14.143 1.00 61.01 H new ATOM 0 HD13 ILE A 44 14.328 -12.806 -15.750 1.00 61.01 H new ATOM 702 N PHE A 45 11.390 -8.230 -14.275 1.00 50.43 N ATOM 703 CA PHE A 45 10.044 -7.674 -14.351 1.00 73.33 C ATOM 704 C PHE A 45 9.530 -7.688 -15.788 1.00 41.21 C ATOM 705 O PHE A 45 9.978 -6.905 -16.626 1.00 32.51 O ATOM 706 CB PHE A 45 10.027 -6.245 -13.805 1.00 61.03 C ATOM 707 CG PHE A 45 8.646 -5.729 -13.519 1.00 50.30 C ATOM 708 CD1 PHE A 45 7.851 -5.235 -14.541 1.00 10.03 C ATOM 709 CD2 PHE A 45 8.143 -5.737 -12.228 1.00 11.40 C ATOM 710 CE1 PHE A 45 6.579 -4.759 -14.281 1.00 24.42 C ATOM 711 CE2 PHE A 45 6.872 -5.263 -11.962 1.00 41.11 C ATOM 712 CZ PHE A 45 6.090 -4.773 -12.989 1.00 51.55 C ATOM 0 H PHE A 45 12.013 -7.931 -15.025 1.00 50.43 H new ATOM 0 HA PHE A 45 9.387 -8.295 -13.742 1.00 73.33 H new ATOM 0 HB2 PHE A 45 10.617 -6.207 -12.889 1.00 61.03 H new ATOM 0 HB3 PHE A 45 10.512 -5.584 -14.524 1.00 61.03 H new ATOM 0 HD1 PHE A 45 8.229 -5.222 -15.552 1.00 10.03 H new ATOM 0 HD2 PHE A 45 8.751 -6.118 -11.421 1.00 11.40 H new ATOM 0 HE1 PHE A 45 5.969 -4.377 -15.086 1.00 24.42 H new ATOM 0 HE2 PHE A 45 6.491 -5.276 -10.952 1.00 41.11 H new ATOM 0 HZ PHE A 45 5.097 -4.401 -12.783 1.00 51.55 H new ATOM 722 N ALA A 46 8.588 -8.583 -16.065 1.00 30.31 N ATOM 723 CA ALA A 46 8.012 -8.699 -17.399 1.00 0.31 C ATOM 724 C ALA A 46 9.101 -8.857 -18.455 1.00 54.41 C ATOM 725 O ALA A 46 8.957 -8.387 -19.583 1.00 64.12 O ATOM 726 CB ALA A 46 7.147 -7.486 -17.707 1.00 50.41 C ATOM 0 H ALA A 46 8.207 -9.239 -15.383 1.00 30.31 H new ATOM 0 HA ALA A 46 7.388 -9.592 -17.422 1.00 0.31 H new ATOM 0 HB1 ALA A 46 6.723 -7.586 -18.706 1.00 50.41 H new ATOM 0 HB2 ALA A 46 6.341 -7.419 -16.976 1.00 50.41 H new ATOM 0 HB3 ALA A 46 7.756 -6.583 -17.660 1.00 50.41 H new ATOM 732 N GLY A 47 10.190 -9.521 -18.081 1.00 1.30 N ATOM 733 CA GLY A 47 11.288 -9.728 -19.008 1.00 15.42 C ATOM 734 C GLY A 47 12.293 -8.593 -18.979 1.00 33.55 C ATOM 735 O GLY A 47 13.096 -8.442 -19.899 1.00 4.21 O ATOM 0 H GLY A 47 10.332 -9.919 -17.153 1.00 1.30 H new ATOM 0 HA2 GLY A 47 11.793 -10.663 -18.765 1.00 15.42 H new ATOM 0 HA3 GLY A 47 10.892 -9.833 -20.018 1.00 15.42 H new ATOM 739 N LYS A 48 12.248 -7.793 -17.919 1.00 40.43 N ATOM 740 CA LYS A 48 13.161 -6.665 -17.773 1.00 21.33 C ATOM 741 C LYS A 48 14.073 -6.857 -16.565 1.00 63.34 C ATOM 742 O LYS A 48 13.602 -6.999 -15.437 1.00 62.24 O ATOM 743 CB LYS A 48 12.374 -5.361 -17.628 1.00 43.44 C ATOM 744 CG LYS A 48 13.130 -4.137 -18.117 1.00 62.24 C ATOM 745 CD LYS A 48 12.216 -2.930 -18.242 1.00 2.23 C ATOM 746 CE LYS A 48 11.398 -2.979 -19.523 1.00 62.51 C ATOM 747 NZ LYS A 48 10.265 -2.014 -19.496 1.00 10.24 N ATOM 0 H LYS A 48 11.589 -7.905 -17.148 1.00 40.43 H new ATOM 0 HA LYS A 48 13.779 -6.612 -18.669 1.00 21.33 H new ATOM 0 HB2 LYS A 48 11.440 -5.447 -18.183 1.00 43.44 H new ATOM 0 HB3 LYS A 48 12.110 -5.220 -16.580 1.00 43.44 H new ATOM 0 HG2 LYS A 48 13.942 -3.910 -17.426 1.00 62.24 H new ATOM 0 HG3 LYS A 48 13.585 -4.352 -19.084 1.00 62.24 H new ATOM 0 HD2 LYS A 48 11.546 -2.889 -17.383 1.00 2.23 H new ATOM 0 HD3 LYS A 48 12.812 -2.018 -18.225 1.00 2.23 H new ATOM 0 HE2 LYS A 48 12.043 -2.758 -20.374 1.00 62.51 H new ATOM 0 HE3 LYS A 48 11.012 -3.988 -19.669 1.00 62.51 H new ATOM 0 HZ1 LYS A 48 9.733 -2.079 -20.387 1.00 10.24 H new ATOM 0 HZ2 LYS A 48 9.636 -2.240 -18.699 1.00 10.24 H new ATOM 0 HZ3 LYS A 48 10.634 -1.048 -19.383 1.00 10.24 H new ATOM 761 N GLN A 49 15.380 -6.859 -16.811 1.00 34.33 N ATOM 762 CA GLN A 49 16.357 -7.033 -15.742 1.00 73.15 C ATOM 763 C GLN A 49 16.778 -5.686 -15.166 1.00 1.43 C ATOM 764 O GLN A 49 17.447 -4.895 -15.832 1.00 40.25 O ATOM 765 CB GLN A 49 17.583 -7.785 -16.262 1.00 23.01 C ATOM 766 CG GLN A 49 17.251 -9.124 -16.899 1.00 71.44 C ATOM 767 CD GLN A 49 18.456 -9.778 -17.546 1.00 41.03 C ATOM 768 OE1 GLN A 49 19.589 -9.598 -17.099 1.00 22.22 O ATOM 769 NE2 GLN A 49 18.218 -10.542 -18.606 1.00 20.32 N ATOM 0 H GLN A 49 15.786 -6.742 -17.739 1.00 34.33 H new ATOM 0 HA GLN A 49 15.891 -7.617 -14.948 1.00 73.15 H new ATOM 0 HB2 GLN A 49 18.098 -7.162 -16.993 1.00 23.01 H new ATOM 0 HB3 GLN A 49 18.277 -7.947 -15.437 1.00 23.01 H new ATOM 0 HG2 GLN A 49 16.844 -9.792 -16.140 1.00 71.44 H new ATOM 0 HG3 GLN A 49 16.473 -8.982 -17.649 1.00 71.44 H new ATOM 0 HE21 GLN A 49 17.263 -10.664 -18.943 1.00 20.32 H new ATOM 0 HE22 GLN A 49 18.990 -11.007 -19.083 1.00 20.32 H new ATOM 778 N LEU A 50 16.383 -5.430 -13.924 1.00 12.34 N ATOM 779 CA LEU A 50 16.719 -4.177 -13.256 1.00 43.23 C ATOM 780 C LEU A 50 17.894 -4.366 -12.302 1.00 63.54 C ATOM 781 O LEU A 50 18.182 -5.483 -11.872 1.00 10.31 O ATOM 782 CB LEU A 50 15.507 -3.642 -12.491 1.00 65.21 C ATOM 783 CG LEU A 50 14.636 -4.690 -11.797 1.00 4.20 C ATOM 784 CD1 LEU A 50 13.989 -4.105 -10.551 1.00 62.20 C ATOM 785 CD2 LEU A 50 13.577 -5.220 -12.752 1.00 13.21 C ATOM 0 H LEU A 50 15.829 -6.074 -13.359 1.00 12.34 H new ATOM 0 HA LEU A 50 17.007 -3.454 -14.019 1.00 43.23 H new ATOM 0 HB2 LEU A 50 15.860 -2.936 -11.739 1.00 65.21 H new ATOM 0 HB3 LEU A 50 14.882 -3.082 -13.186 1.00 65.21 H new ATOM 0 HG LEU A 50 15.272 -5.522 -11.495 1.00 4.20 H new ATOM 0 HD11 LEU A 50 13.373 -4.865 -10.070 1.00 62.20 H new ATOM 0 HD12 LEU A 50 14.764 -3.775 -9.859 1.00 62.20 H new ATOM 0 HD13 LEU A 50 13.366 -3.255 -10.829 1.00 62.20 H new ATOM 0 HD21 LEU A 50 12.966 -5.965 -12.241 1.00 13.21 H new ATOM 0 HD22 LEU A 50 12.943 -4.398 -13.085 1.00 13.21 H new ATOM 0 HD23 LEU A 50 14.061 -5.678 -13.615 1.00 13.21 H new ATOM 797 N GLU A 51 18.568 -3.268 -11.975 1.00 54.12 N ATOM 798 CA GLU A 51 19.710 -3.314 -11.071 1.00 24.23 C ATOM 799 C GLU A 51 19.335 -2.777 -9.692 1.00 64.43 C ATOM 800 O GLU A 51 18.220 -2.301 -9.482 1.00 51.24 O ATOM 801 CB GLU A 51 20.876 -2.507 -11.645 1.00 5.33 C ATOM 802 CG GLU A 51 21.353 -3.004 -12.999 1.00 52.22 C ATOM 803 CD GLU A 51 22.151 -1.960 -13.756 1.00 71.11 C ATOM 804 OE1 GLU A 51 22.933 -2.346 -14.650 1.00 52.34 O ATOM 805 OE2 GLU A 51 21.994 -0.759 -13.454 1.00 41.44 O ATOM 0 H GLU A 51 18.343 -2.336 -12.323 1.00 54.12 H new ATOM 0 HA GLU A 51 20.015 -4.355 -10.966 1.00 24.23 H new ATOM 0 HB2 GLU A 51 20.574 -1.464 -11.736 1.00 5.33 H new ATOM 0 HB3 GLU A 51 21.709 -2.538 -10.942 1.00 5.33 H new ATOM 0 HG2 GLU A 51 21.967 -3.894 -12.860 1.00 52.22 H new ATOM 0 HG3 GLU A 51 20.491 -3.301 -13.597 1.00 52.22 H new ATOM 812 N ASP A 52 20.275 -2.859 -8.757 1.00 31.13 N ATOM 813 CA ASP A 52 20.045 -2.381 -7.398 1.00 75.51 C ATOM 814 C ASP A 52 19.733 -0.888 -7.393 1.00 24.14 C ATOM 815 O ASP A 52 19.187 -0.361 -6.423 1.00 64.32 O ATOM 816 CB ASP A 52 21.266 -2.664 -6.522 1.00 14.15 C ATOM 817 CG ASP A 52 22.397 -1.686 -6.772 1.00 14.12 C ATOM 818 OD1 ASP A 52 23.022 -1.765 -7.850 1.00 4.01 O ATOM 819 OD2 ASP A 52 22.656 -0.841 -5.890 1.00 15.31 O ATOM 0 H ASP A 52 21.203 -3.252 -8.915 1.00 31.13 H new ATOM 0 HA ASP A 52 19.185 -2.914 -6.992 1.00 75.51 H new ATOM 0 HB2 ASP A 52 20.975 -2.618 -5.473 1.00 14.15 H new ATOM 0 HB3 ASP A 52 21.618 -3.678 -6.711 1.00 14.15 H new ATOM 824 N SER A 53 20.085 -0.211 -8.481 1.00 65.31 N ATOM 825 CA SER A 53 19.848 1.223 -8.600 1.00 23.43 C ATOM 826 C SER A 53 18.532 1.498 -9.320 1.00 32.30 C ATOM 827 O SER A 53 18.354 2.550 -9.935 1.00 24.44 O ATOM 828 CB SER A 53 21.002 1.891 -9.349 1.00 42.52 C ATOM 829 OG SER A 53 21.160 3.240 -8.944 1.00 0.15 O ATOM 0 H SER A 53 20.536 -0.633 -9.293 1.00 65.31 H new ATOM 0 HA SER A 53 19.786 1.641 -7.595 1.00 23.43 H new ATOM 0 HB2 SER A 53 21.925 1.342 -9.165 1.00 42.52 H new ATOM 0 HB3 SER A 53 20.816 1.850 -10.422 1.00 42.52 H new ATOM 0 HG SER A 53 21.905 3.644 -9.436 1.00 0.15 H new ATOM 835 N LYS A 54 17.610 0.544 -9.240 1.00 22.15 N ATOM 836 CA LYS A 54 16.308 0.681 -9.882 1.00 3.15 C ATOM 837 C LYS A 54 15.186 0.295 -8.923 1.00 51.15 C ATOM 838 O LYS A 54 15.045 -0.871 -8.552 1.00 43.32 O ATOM 839 CB LYS A 54 16.242 -0.189 -11.138 1.00 62.45 C ATOM 840 CG LYS A 54 17.326 0.126 -12.154 1.00 44.14 C ATOM 841 CD LYS A 54 16.981 -0.424 -13.528 1.00 33.41 C ATOM 842 CE LYS A 54 18.123 -0.225 -14.512 1.00 2.10 C ATOM 843 NZ LYS A 54 19.181 -1.261 -14.352 1.00 33.05 N ATOM 0 H LYS A 54 17.741 -0.333 -8.736 1.00 22.15 H new ATOM 0 HA LYS A 54 16.178 1.726 -10.164 1.00 3.15 H new ATOM 0 HB2 LYS A 54 16.321 -1.237 -10.848 1.00 62.45 H new ATOM 0 HB3 LYS A 54 15.267 -0.061 -11.608 1.00 62.45 H new ATOM 0 HG2 LYS A 54 17.464 1.205 -12.217 1.00 44.14 H new ATOM 0 HG3 LYS A 54 18.273 -0.297 -11.819 1.00 44.14 H new ATOM 0 HD2 LYS A 54 16.749 -1.486 -13.448 1.00 33.41 H new ATOM 0 HD3 LYS A 54 16.085 0.070 -13.904 1.00 33.41 H new ATOM 0 HE2 LYS A 54 17.735 -0.257 -15.530 1.00 2.10 H new ATOM 0 HE3 LYS A 54 18.558 0.764 -14.368 1.00 2.10 H new ATOM 0 HZ1 LYS A 54 19.784 -1.275 -15.199 1.00 33.05 H new ATOM 0 HZ2 LYS A 54 19.761 -1.039 -13.518 1.00 33.05 H new ATOM 0 HZ3 LYS A 54 18.738 -2.193 -14.227 1.00 33.05 H new ATOM 857 N THR A 55 14.387 1.281 -8.527 1.00 11.00 N ATOM 858 CA THR A 55 13.277 1.044 -7.613 1.00 11.42 C ATOM 859 C THR A 55 11.964 0.887 -8.371 1.00 51.32 C ATOM 860 O THR A 55 11.908 1.093 -9.583 1.00 40.52 O ATOM 861 CB THR A 55 13.134 2.191 -6.594 1.00 20.21 C ATOM 862 OG1 THR A 55 12.595 3.352 -7.236 1.00 4.25 O ATOM 863 CG2 THR A 55 14.479 2.529 -5.968 1.00 35.13 C ATOM 0 H THR A 55 14.488 2.251 -8.825 1.00 11.00 H new ATOM 0 HA THR A 55 13.498 0.119 -7.080 1.00 11.42 H new ATOM 0 HB THR A 55 12.456 1.865 -5.805 1.00 20.21 H new ATOM 0 HG1 THR A 55 12.506 4.076 -6.581 1.00 4.25 H new ATOM 0 HG21 THR A 55 14.353 3.341 -5.252 1.00 35.13 H new ATOM 0 HG22 THR A 55 14.873 1.651 -5.455 1.00 35.13 H new ATOM 0 HG23 THR A 55 15.176 2.837 -6.747 1.00 35.13 H new ATOM 871 N MET A 56 10.909 0.522 -7.650 1.00 23.22 N ATOM 872 CA MET A 56 9.595 0.339 -8.256 1.00 5.21 C ATOM 873 C MET A 56 9.030 1.671 -8.740 1.00 65.33 C ATOM 874 O MET A 56 8.363 1.734 -9.772 1.00 62.44 O ATOM 875 CB MET A 56 8.633 -0.303 -7.255 1.00 1.53 C ATOM 876 CG MET A 56 9.117 -1.640 -6.718 1.00 1.20 C ATOM 877 SD MET A 56 8.703 -3.016 -7.807 1.00 22.12 S ATOM 878 CE MET A 56 10.211 -3.979 -7.724 1.00 4.31 C ATOM 0 H MET A 56 10.938 0.347 -6.646 1.00 23.22 H new ATOM 0 HA MET A 56 9.707 -0.322 -9.115 1.00 5.21 H new ATOM 0 HB2 MET A 56 8.481 0.381 -6.420 1.00 1.53 H new ATOM 0 HB3 MET A 56 7.664 -0.442 -7.733 1.00 1.53 H new ATOM 0 HG2 MET A 56 10.198 -1.602 -6.581 1.00 1.20 H new ATOM 0 HG3 MET A 56 8.677 -1.814 -5.736 1.00 1.20 H new ATOM 0 HE1 MET A 56 10.152 -4.809 -8.429 1.00 4.31 H new ATOM 0 HE2 MET A 56 11.061 -3.346 -7.979 1.00 4.31 H new ATOM 0 HE3 MET A 56 10.338 -4.369 -6.714 1.00 4.31 H new ATOM 888 N ALA A 57 9.302 2.732 -7.988 1.00 40.44 N ATOM 889 CA ALA A 57 8.822 4.062 -8.343 1.00 10.33 C ATOM 890 C ALA A 57 9.532 4.589 -9.585 1.00 0.40 C ATOM 891 O ALA A 57 9.067 5.534 -10.224 1.00 21.43 O ATOM 892 CB ALA A 57 9.014 5.021 -7.176 1.00 75.54 C ATOM 0 H ALA A 57 9.852 2.697 -7.130 1.00 40.44 H new ATOM 0 HA ALA A 57 7.758 3.989 -8.569 1.00 10.33 H new ATOM 0 HB1 ALA A 57 8.651 6.010 -7.455 1.00 75.54 H new ATOM 0 HB2 ALA A 57 8.455 4.660 -6.313 1.00 75.54 H new ATOM 0 HB3 ALA A 57 10.073 5.080 -6.924 1.00 75.54 H new ATOM 898 N ASP A 58 10.660 3.974 -9.922 1.00 2.15 N ATOM 899 CA ASP A 58 11.435 4.381 -11.088 1.00 54.42 C ATOM 900 C ASP A 58 10.785 3.880 -12.374 1.00 32.41 C ATOM 901 O ASP A 58 10.623 4.633 -13.335 1.00 23.53 O ATOM 902 CB ASP A 58 12.867 3.854 -10.986 1.00 75.31 C ATOM 903 CG ASP A 58 13.785 4.468 -12.023 1.00 45.44 C ATOM 904 OD1 ASP A 58 14.575 3.719 -12.636 1.00 73.11 O ATOM 905 OD2 ASP A 58 13.715 5.699 -12.223 1.00 71.11 O ATOM 0 H ASP A 58 11.058 3.191 -9.404 1.00 2.15 H new ATOM 0 HA ASP A 58 11.459 5.470 -11.115 1.00 54.42 H new ATOM 0 HB2 ASP A 58 13.258 4.063 -9.990 1.00 75.31 H new ATOM 0 HB3 ASP A 58 12.862 2.771 -11.106 1.00 75.31 H new ATOM 910 N TYR A 59 10.415 2.604 -12.385 1.00 21.22 N ATOM 911 CA TYR A 59 9.786 2.000 -13.554 1.00 2.33 C ATOM 912 C TYR A 59 8.282 2.256 -13.556 1.00 42.43 C ATOM 913 O TYR A 59 7.580 1.884 -14.495 1.00 34.43 O ATOM 914 CB TYR A 59 10.059 0.496 -13.586 1.00 34.55 C ATOM 915 CG TYR A 59 11.402 0.136 -14.180 1.00 33.35 C ATOM 916 CD1 TYR A 59 11.661 0.334 -15.530 1.00 63.42 C ATOM 917 CD2 TYR A 59 12.411 -0.403 -13.391 1.00 13.22 C ATOM 918 CE1 TYR A 59 12.887 0.006 -16.078 1.00 34.14 C ATOM 919 CE2 TYR A 59 13.639 -0.732 -13.929 1.00 64.23 C ATOM 920 CZ TYR A 59 13.873 -0.526 -15.273 1.00 75.21 C ATOM 921 OH TYR A 59 15.095 -0.854 -15.814 1.00 33.34 O ATOM 0 H TYR A 59 10.540 1.968 -11.597 1.00 21.22 H new ATOM 0 HA TYR A 59 10.216 2.459 -14.444 1.00 2.33 H new ATOM 0 HB2 TYR A 59 10.004 0.104 -12.571 1.00 34.55 H new ATOM 0 HB3 TYR A 59 9.274 0.005 -14.161 1.00 34.55 H new ATOM 0 HD1 TYR A 59 10.891 0.751 -16.162 1.00 63.42 H new ATOM 0 HD2 TYR A 59 12.231 -0.567 -12.339 1.00 13.22 H new ATOM 0 HE1 TYR A 59 13.072 0.165 -17.130 1.00 34.14 H new ATOM 0 HE2 TYR A 59 14.413 -1.149 -13.301 1.00 64.23 H new ATOM 0 HH TYR A 59 15.288 -0.261 -16.570 1.00 33.34 H new ATOM 931 N ASN A 60 7.796 2.896 -12.498 1.00 12.51 N ATOM 932 CA ASN A 60 6.375 3.204 -12.377 1.00 22.54 C ATOM 933 C ASN A 60 5.549 1.925 -12.279 1.00 73.11 C ATOM 934 O ASN A 60 4.388 1.891 -12.690 1.00 4.21 O ATOM 935 CB ASN A 60 5.908 4.036 -13.572 1.00 43.04 C ATOM 936 CG ASN A 60 6.946 5.052 -14.010 1.00 73.11 C ATOM 937 OD1 ASN A 60 7.282 5.973 -13.265 1.00 60.52 O ATOM 938 ND2 ASN A 60 7.458 4.889 -15.224 1.00 71.43 N ATOM 0 H ASN A 60 8.364 3.212 -11.712 1.00 12.51 H new ATOM 0 HA ASN A 60 6.230 3.781 -11.464 1.00 22.54 H new ATOM 0 HB2 ASN A 60 5.679 3.372 -14.406 1.00 43.04 H new ATOM 0 HB3 ASN A 60 4.984 4.553 -13.313 1.00 43.04 H new ATOM 0 HD21 ASN A 60 8.160 5.542 -15.573 1.00 71.43 H new ATOM 0 HD22 ASN A 60 7.150 4.111 -15.807 1.00 71.43 H new ATOM 945 N ILE A 61 6.154 0.876 -11.732 1.00 60.05 N ATOM 946 CA ILE A 61 5.474 -0.404 -11.579 1.00 54.04 C ATOM 947 C ILE A 61 5.166 -0.691 -10.114 1.00 25.43 C ATOM 948 O ILE A 61 6.075 -0.880 -9.305 1.00 72.31 O ATOM 949 CB ILE A 61 6.314 -1.560 -12.153 1.00 30.45 C ATOM 950 CG1 ILE A 61 7.774 -1.423 -11.717 1.00 44.25 C ATOM 951 CG2 ILE A 61 6.208 -1.591 -13.670 1.00 2.41 C ATOM 952 CD1 ILE A 61 8.645 -2.583 -12.147 1.00 52.03 C ATOM 0 H ILE A 61 7.114 0.887 -11.387 1.00 60.05 H new ATOM 0 HA ILE A 61 4.540 -0.334 -12.136 1.00 54.04 H new ATOM 0 HB ILE A 61 5.925 -2.501 -11.763 1.00 30.45 H new ATOM 0 HG12 ILE A 61 8.183 -0.500 -12.129 1.00 44.25 H new ATOM 0 HG13 ILE A 61 7.814 -1.332 -10.631 1.00 44.25 H new ATOM 0 HG21 ILE A 61 6.807 -2.414 -14.060 1.00 2.41 H new ATOM 0 HG22 ILE A 61 5.167 -1.732 -13.959 1.00 2.41 H new ATOM 0 HG23 ILE A 61 6.574 -0.650 -14.080 1.00 2.41 H new ATOM 0 HD11 ILE A 61 9.666 -2.418 -11.804 1.00 52.03 H new ATOM 0 HD12 ILE A 61 8.261 -3.506 -11.714 1.00 52.03 H new ATOM 0 HD13 ILE A 61 8.636 -2.661 -13.234 1.00 52.03 H new ATOM 964 N GLN A 62 3.880 -0.725 -9.780 1.00 4.53 N ATOM 965 CA GLN A 62 3.454 -0.990 -8.411 1.00 73.40 C ATOM 966 C GLN A 62 2.019 -1.507 -8.379 1.00 10.53 C ATOM 967 O GLN A 62 1.373 -1.644 -9.418 1.00 44.30 O ATOM 968 CB GLN A 62 3.572 0.277 -7.562 1.00 73.33 C ATOM 969 CG GLN A 62 4.794 0.292 -6.659 1.00 0.13 C ATOM 970 CD GLN A 62 4.663 1.281 -5.517 1.00 64.01 C ATOM 971 OE1 GLN A 62 5.340 2.309 -5.491 1.00 1.42 O ATOM 972 NE2 GLN A 62 3.790 0.975 -4.565 1.00 72.42 N ATOM 0 H GLN A 62 3.116 -0.573 -10.438 1.00 4.53 H new ATOM 0 HA GLN A 62 4.107 -1.757 -7.996 1.00 73.40 H new ATOM 0 HB2 GLN A 62 3.607 1.144 -8.221 1.00 73.33 H new ATOM 0 HB3 GLN A 62 2.676 0.378 -6.949 1.00 73.33 H new ATOM 0 HG2 GLN A 62 4.954 -0.707 -6.253 1.00 0.13 H new ATOM 0 HG3 GLN A 62 5.675 0.540 -7.250 1.00 0.13 H new ATOM 0 HE21 GLN A 62 3.250 0.112 -4.627 1.00 72.42 H new ATOM 0 HE22 GLN A 62 3.660 1.603 -3.772 1.00 72.42 H new ATOM 981 N LYS A 63 1.525 -1.792 -7.179 1.00 1.14 N ATOM 982 CA LYS A 63 0.166 -2.292 -7.009 1.00 61.33 C ATOM 983 C LYS A 63 -0.021 -3.618 -7.740 1.00 44.04 C ATOM 984 O LYS A 63 -0.360 -3.642 -8.923 1.00 14.13 O ATOM 985 CB LYS A 63 -0.845 -1.266 -7.525 1.00 73.33 C ATOM 986 CG LYS A 63 -0.729 0.092 -6.856 1.00 13.14 C ATOM 987 CD LYS A 63 -0.912 1.223 -7.853 1.00 52.35 C ATOM 988 CE LYS A 63 0.314 1.390 -8.738 1.00 73.53 C ATOM 989 NZ LYS A 63 0.149 2.505 -9.711 1.00 35.00 N ATOM 0 H LYS A 63 2.046 -1.685 -6.309 1.00 1.14 H new ATOM 0 HA LYS A 63 -0.004 -2.457 -5.945 1.00 61.33 H new ATOM 0 HB2 LYS A 63 -0.710 -1.145 -8.600 1.00 73.33 H new ATOM 0 HB3 LYS A 63 -1.853 -1.652 -7.371 1.00 73.33 H new ATOM 0 HG2 LYS A 63 -1.478 0.176 -6.068 1.00 13.14 H new ATOM 0 HG3 LYS A 63 0.247 0.181 -6.379 1.00 13.14 H new ATOM 0 HD2 LYS A 63 -1.786 1.024 -8.474 1.00 52.35 H new ATOM 0 HD3 LYS A 63 -1.106 2.153 -7.318 1.00 52.35 H new ATOM 0 HE2 LYS A 63 1.188 1.578 -8.115 1.00 73.53 H new ATOM 0 HE3 LYS A 63 0.501 0.462 -9.278 1.00 73.53 H new ATOM 0 HZ1 LYS A 63 1.006 2.586 -10.295 1.00 35.00 H new ATOM 0 HZ2 LYS A 63 -0.670 2.314 -10.323 1.00 35.00 H new ATOM 0 HZ3 LYS A 63 -0.004 3.395 -9.196 1.00 35.00 H new ATOM 1003 N GLU A 64 0.202 -4.718 -7.028 1.00 64.11 N ATOM 1004 CA GLU A 64 0.058 -6.047 -7.611 1.00 14.12 C ATOM 1005 C GLU A 64 1.071 -6.263 -8.731 1.00 25.45 C ATOM 1006 O GLU A 64 0.862 -7.087 -9.621 1.00 41.23 O ATOM 1007 CB GLU A 64 -1.362 -6.240 -8.149 1.00 23.44 C ATOM 1008 CG GLU A 64 -2.445 -5.775 -7.190 1.00 4.41 C ATOM 1009 CD GLU A 64 -3.678 -6.656 -7.229 1.00 65.44 C ATOM 1010 OE1 GLU A 64 -4.177 -7.025 -6.146 1.00 33.22 O ATOM 1011 OE2 GLU A 64 -4.142 -6.978 -8.343 1.00 13.12 O ATOM 0 H GLU A 64 0.483 -4.715 -6.047 1.00 64.11 H new ATOM 0 HA GLU A 64 0.246 -6.782 -6.828 1.00 14.12 H new ATOM 0 HB2 GLU A 64 -1.463 -5.696 -9.088 1.00 23.44 H new ATOM 0 HB3 GLU A 64 -1.516 -7.295 -8.373 1.00 23.44 H new ATOM 0 HG2 GLU A 64 -2.045 -5.761 -6.176 1.00 4.41 H new ATOM 0 HG3 GLU A 64 -2.727 -4.751 -7.436 1.00 4.41 H new ATOM 1018 N SER A 65 2.170 -5.518 -8.678 1.00 45.42 N ATOM 1019 CA SER A 65 3.215 -5.624 -9.690 1.00 4.03 C ATOM 1020 C SER A 65 3.665 -7.072 -9.856 1.00 22.32 C ATOM 1021 O SER A 65 3.684 -7.844 -8.896 1.00 4.41 O ATOM 1022 CB SER A 65 4.411 -4.747 -9.313 1.00 12.23 C ATOM 1023 OG SER A 65 4.232 -4.164 -8.033 1.00 64.13 O ATOM 0 H SER A 65 2.360 -4.834 -7.945 1.00 45.42 H new ATOM 0 HA SER A 65 2.804 -5.278 -10.638 1.00 4.03 H new ATOM 0 HB2 SER A 65 5.322 -5.346 -9.319 1.00 12.23 H new ATOM 0 HB3 SER A 65 4.540 -3.963 -10.059 1.00 12.23 H new ATOM 0 HG SER A 65 5.069 -3.743 -7.745 1.00 64.13 H new ATOM 1029 N THR A 66 4.027 -7.436 -11.082 1.00 63.13 N ATOM 1030 CA THR A 66 4.476 -8.791 -11.376 1.00 70.24 C ATOM 1031 C THR A 66 5.953 -8.966 -11.043 1.00 43.44 C ATOM 1032 O THR A 66 6.798 -8.192 -11.497 1.00 20.22 O ATOM 1033 CB THR A 66 4.249 -9.149 -12.857 1.00 45.14 C ATOM 1034 OG1 THR A 66 4.683 -10.490 -13.109 1.00 73.32 O ATOM 1035 CG2 THR A 66 5.001 -8.189 -13.767 1.00 50.31 C ATOM 0 H THR A 66 4.018 -6.811 -11.888 1.00 63.13 H new ATOM 0 HA THR A 66 3.885 -9.462 -10.753 1.00 70.24 H new ATOM 0 HB THR A 66 3.183 -9.066 -13.068 1.00 45.14 H new ATOM 0 HG1 THR A 66 4.534 -10.710 -14.052 1.00 73.32 H new ATOM 0 HG21 THR A 66 4.826 -8.462 -14.808 1.00 50.31 H new ATOM 0 HG22 THR A 66 4.649 -7.172 -13.594 1.00 50.31 H new ATOM 0 HG23 THR A 66 6.068 -8.245 -13.552 1.00 50.31 H new ATOM 1043 N LEU A 67 6.259 -9.986 -10.250 1.00 5.23 N ATOM 1044 CA LEU A 67 7.637 -10.263 -9.856 1.00 53.43 C ATOM 1045 C LEU A 67 7.926 -11.760 -9.903 1.00 11.44 C ATOM 1046 O LEU A 67 7.088 -12.577 -9.520 1.00 11.45 O ATOM 1047 CB LEU A 67 7.904 -9.723 -8.450 1.00 65.22 C ATOM 1048 CG LEU A 67 9.087 -8.764 -8.313 1.00 41.43 C ATOM 1049 CD1 LEU A 67 10.388 -9.465 -8.671 1.00 60.31 C ATOM 1050 CD2 LEU A 67 8.882 -7.536 -9.190 1.00 24.54 C ATOM 0 H LEU A 67 5.572 -10.636 -9.867 1.00 5.23 H new ATOM 0 HA LEU A 67 8.299 -9.762 -10.562 1.00 53.43 H new ATOM 0 HB2 LEU A 67 7.006 -9.213 -8.102 1.00 65.22 H new ATOM 0 HB3 LEU A 67 8.069 -10.569 -7.783 1.00 65.22 H new ATOM 0 HG LEU A 67 9.148 -8.439 -7.274 1.00 41.43 H new ATOM 0 HD11 LEU A 67 11.218 -8.766 -8.567 1.00 60.31 H new ATOM 0 HD12 LEU A 67 10.541 -10.312 -8.002 1.00 60.31 H new ATOM 0 HD13 LEU A 67 10.339 -9.820 -9.700 1.00 60.31 H new ATOM 0 HD21 LEU A 67 9.733 -6.864 -9.080 1.00 24.54 H new ATOM 0 HD22 LEU A 67 8.795 -7.844 -10.232 1.00 24.54 H new ATOM 0 HD23 LEU A 67 7.971 -7.020 -8.886 1.00 24.54 H new ATOM 1062 N HIS A 68 9.118 -12.113 -10.372 1.00 43.53 N ATOM 1063 CA HIS A 68 9.520 -13.512 -10.466 1.00 15.31 C ATOM 1064 C HIS A 68 10.272 -13.946 -9.212 1.00 23.11 C ATOM 1065 O HIS A 68 10.868 -13.123 -8.518 1.00 45.01 O ATOM 1066 CB HIS A 68 10.393 -13.732 -11.701 1.00 61.23 C ATOM 1067 CG HIS A 68 11.821 -13.325 -11.505 1.00 60.15 C ATOM 1068 ND1 HIS A 68 12.884 -14.038 -12.019 1.00 50.41 N ATOM 1069 CD2 HIS A 68 12.359 -12.271 -10.849 1.00 0.22 C ATOM 1070 CE1 HIS A 68 14.014 -13.440 -11.685 1.00 70.35 C ATOM 1071 NE2 HIS A 68 13.723 -12.365 -10.975 1.00 61.23 N ATOM 0 H HIS A 68 9.823 -11.449 -10.693 1.00 43.53 H new ATOM 0 HA HIS A 68 8.619 -14.118 -10.556 1.00 15.31 H new ATOM 0 HB2 HIS A 68 10.359 -14.786 -11.977 1.00 61.23 H new ATOM 0 HB3 HIS A 68 9.975 -13.170 -12.536 1.00 61.23 H new ATOM 0 HD2 HIS A 68 11.816 -11.499 -10.324 1.00 0.22 H new ATOM 0 HE1 HIS A 68 15.007 -13.774 -11.948 1.00 70.35 H new ATOM 0 HE2 HIS A 68 14.401 -11.711 -10.584 1.00 61.23 H new ATOM 1079 N MET A 69 10.239 -15.244 -8.928 1.00 2.14 N ATOM 1080 CA MET A 69 10.919 -15.787 -7.757 1.00 51.11 C ATOM 1081 C MET A 69 11.938 -16.846 -8.163 1.00 64.44 C ATOM 1082 O MET A 69 11.578 -17.900 -8.687 1.00 71.53 O ATOM 1083 CB MET A 69 9.903 -16.387 -6.783 1.00 52.05 C ATOM 1084 CG MET A 69 10.475 -16.664 -5.403 1.00 32.43 C ATOM 1085 SD MET A 69 9.413 -17.734 -4.413 1.00 13.31 S ATOM 1086 CE MET A 69 10.196 -19.323 -4.673 1.00 71.42 C ATOM 0 H MET A 69 9.749 -15.939 -9.492 1.00 2.14 H new ATOM 0 HA MET A 69 11.446 -14.971 -7.263 1.00 51.11 H new ATOM 0 HB2 MET A 69 9.058 -15.705 -6.687 1.00 52.05 H new ATOM 0 HB3 MET A 69 9.517 -17.317 -7.201 1.00 52.05 H new ATOM 0 HG2 MET A 69 11.456 -17.128 -5.507 1.00 32.43 H new ATOM 0 HG3 MET A 69 10.623 -15.720 -4.879 1.00 32.43 H new ATOM 0 HE1 MET A 69 9.496 -19.998 -5.165 1.00 71.42 H new ATOM 0 HE2 MET A 69 11.079 -19.196 -5.300 1.00 71.42 H new ATOM 0 HE3 MET A 69 10.491 -19.745 -3.712 1.00 71.42 H new ATOM 1096 N VAL A 70 13.213 -16.559 -7.919 1.00 21.44 N ATOM 1097 CA VAL A 70 14.285 -17.488 -8.258 1.00 74.03 C ATOM 1098 C VAL A 70 15.061 -17.909 -7.016 1.00 22.32 C ATOM 1099 O VAL A 70 15.667 -17.079 -6.337 1.00 51.44 O ATOM 1100 CB VAL A 70 15.262 -16.870 -9.276 1.00 14.42 C ATOM 1101 CG1 VAL A 70 14.628 -16.811 -10.657 1.00 53.42 C ATOM 1102 CG2 VAL A 70 15.698 -15.485 -8.821 1.00 23.20 C ATOM 0 H VAL A 70 13.529 -15.690 -7.488 1.00 21.44 H new ATOM 0 HA VAL A 70 13.815 -18.365 -8.703 1.00 74.03 H new ATOM 0 HB VAL A 70 16.147 -17.504 -9.336 1.00 14.42 H new ATOM 0 HG11 VAL A 70 15.333 -16.372 -11.363 1.00 53.42 H new ATOM 0 HG12 VAL A 70 14.370 -17.819 -10.982 1.00 53.42 H new ATOM 0 HG13 VAL A 70 13.726 -16.200 -10.617 1.00 53.42 H new ATOM 0 HG21 VAL A 70 16.388 -15.063 -9.551 1.00 23.20 H new ATOM 0 HG22 VAL A 70 14.824 -14.840 -8.732 1.00 23.20 H new ATOM 0 HG23 VAL A 70 16.195 -15.559 -7.854 1.00 23.20 H new ATOM 1112 N LEU A 71 15.040 -19.205 -6.723 1.00 0.21 N ATOM 1113 CA LEU A 71 15.743 -19.738 -5.561 1.00 61.12 C ATOM 1114 C LEU A 71 16.788 -20.766 -5.982 1.00 65.10 C ATOM 1115 O LEU A 71 16.455 -21.902 -6.320 1.00 44.03 O ATOM 1116 CB LEU A 71 14.750 -20.374 -4.587 1.00 11.53 C ATOM 1117 CG LEU A 71 13.745 -19.422 -3.937 1.00 10.23 C ATOM 1118 CD1 LEU A 71 12.898 -20.159 -2.911 1.00 4.23 C ATOM 1119 CD2 LEU A 71 14.464 -18.246 -3.292 1.00 2.11 C ATOM 0 H LEU A 71 14.544 -19.906 -7.274 1.00 0.21 H new ATOM 0 HA LEU A 71 16.252 -18.912 -5.064 1.00 61.12 H new ATOM 0 HB2 LEU A 71 14.196 -21.148 -5.118 1.00 11.53 H new ATOM 0 HB3 LEU A 71 15.314 -20.870 -3.797 1.00 11.53 H new ATOM 0 HG LEU A 71 13.084 -19.036 -4.714 1.00 10.23 H new ATOM 0 HD11 LEU A 71 12.189 -19.466 -2.459 1.00 4.23 H new ATOM 0 HD12 LEU A 71 12.354 -20.967 -3.401 1.00 4.23 H new ATOM 0 HD13 LEU A 71 13.543 -20.574 -2.137 1.00 4.23 H new ATOM 0 HD21 LEU A 71 13.733 -17.579 -2.835 1.00 2.11 H new ATOM 0 HD22 LEU A 71 15.149 -18.613 -2.527 1.00 2.11 H new ATOM 0 HD23 LEU A 71 15.026 -17.702 -4.051 1.00 2.11 H new ATOM 1131 N ARG A 72 18.054 -20.360 -5.957 1.00 33.14 N ATOM 1132 CA ARG A 72 19.148 -21.246 -6.334 1.00 61.24 C ATOM 1133 C ARG A 72 19.923 -21.708 -5.104 1.00 30.41 C ATOM 1134 O ARG A 72 20.133 -20.940 -4.165 1.00 5.15 O ATOM 1135 CB ARG A 72 20.092 -20.539 -7.309 1.00 10.03 C ATOM 1136 CG ARG A 72 19.743 -20.769 -8.770 1.00 53.41 C ATOM 1137 CD ARG A 72 18.350 -20.253 -9.098 1.00 31.25 C ATOM 1138 NE ARG A 72 17.334 -21.292 -8.953 1.00 31.22 N ATOM 1139 CZ ARG A 72 16.082 -21.160 -9.377 1.00 61.25 C ATOM 1140 NH1 ARG A 72 15.694 -20.040 -9.970 1.00 45.55 N ATOM 1141 NH2 ARG A 72 15.215 -22.151 -9.210 1.00 4.24 N ATOM 0 H ARG A 72 18.347 -19.423 -5.680 1.00 33.14 H new ATOM 0 HA ARG A 72 18.721 -22.122 -6.822 1.00 61.24 H new ATOM 0 HB2 ARG A 72 20.076 -19.468 -7.105 1.00 10.03 H new ATOM 0 HB3 ARG A 72 21.111 -20.883 -7.129 1.00 10.03 H new ATOM 0 HG2 ARG A 72 20.476 -20.269 -9.403 1.00 53.41 H new ATOM 0 HG3 ARG A 72 19.800 -21.834 -8.996 1.00 53.41 H new ATOM 0 HD2 ARG A 72 18.109 -19.416 -8.442 1.00 31.25 H new ATOM 0 HD3 ARG A 72 18.336 -19.872 -10.119 1.00 31.25 H new ATOM 0 HE ARG A 72 17.600 -22.167 -8.501 1.00 31.22 H new ATOM 0 HH11 ARG A 72 16.357 -19.277 -10.102 1.00 45.55 H new ATOM 0 HH12 ARG A 72 14.732 -19.942 -10.295 1.00 45.55 H new ATOM 0 HH21 ARG A 72 15.510 -23.015 -8.756 1.00 4.24 H new ATOM 0 HH22 ARG A 72 14.254 -22.048 -9.536 1.00 4.24 H new ATOM 1155 N LEU A 73 20.345 -22.968 -5.115 1.00 75.15 N ATOM 1156 CA LEU A 73 21.096 -23.534 -4.000 1.00 50.23 C ATOM 1157 C LEU A 73 22.526 -23.860 -4.417 1.00 64.25 C ATOM 1158 O LEU A 73 22.758 -24.422 -5.488 1.00 44.42 O ATOM 1159 CB LEU A 73 20.404 -24.795 -3.481 1.00 33.02 C ATOM 1160 CG LEU A 73 18.876 -24.754 -3.441 1.00 33.00 C ATOM 1161 CD1 LEU A 73 18.316 -26.110 -3.039 1.00 54.41 C ATOM 1162 CD2 LEU A 73 18.396 -23.672 -2.485 1.00 11.13 C ATOM 0 H LEU A 73 20.180 -23.617 -5.884 1.00 75.15 H new ATOM 0 HA LEU A 73 21.130 -22.792 -3.203 1.00 50.23 H new ATOM 0 HB2 LEU A 73 20.709 -25.635 -4.105 1.00 33.02 H new ATOM 0 HB3 LEU A 73 20.769 -24.997 -2.474 1.00 33.02 H new ATOM 0 HG LEU A 73 18.512 -24.515 -4.440 1.00 33.00 H new ATOM 0 HD11 LEU A 73 17.227 -26.062 -3.016 1.00 54.41 H new ATOM 0 HD12 LEU A 73 18.631 -26.862 -3.762 1.00 54.41 H new ATOM 0 HD13 LEU A 73 18.688 -26.379 -2.050 1.00 54.41 H new ATOM 0 HD21 LEU A 73 17.306 -23.657 -2.470 1.00 11.13 H new ATOM 0 HD22 LEU A 73 18.770 -23.880 -1.483 1.00 11.13 H new ATOM 0 HD23 LEU A 73 18.767 -22.702 -2.817 1.00 11.13 H new ATOM 1174 N ARG A 74 23.482 -23.507 -3.564 1.00 15.43 N ATOM 1175 CA ARG A 74 24.889 -23.763 -3.843 1.00 43.12 C ATOM 1176 C ARG A 74 25.233 -25.230 -3.603 1.00 11.01 C ATOM 1177 O ARG A 74 25.705 -25.923 -4.503 1.00 74.22 O ATOM 1178 CB ARG A 74 25.775 -22.871 -2.971 1.00 71.11 C ATOM 1179 CG ARG A 74 25.577 -21.385 -3.222 1.00 2.04 C ATOM 1180 CD ARG A 74 26.558 -20.549 -2.414 1.00 54.32 C ATOM 1181 NE ARG A 74 27.942 -20.794 -2.810 1.00 52.21 N ATOM 1182 CZ ARG A 74 28.944 -19.970 -2.527 1.00 2.43 C ATOM 1183 NH1 ARG A 74 28.717 -18.853 -1.849 1.00 23.13 N ATOM 1184 NH2 ARG A 74 30.177 -20.262 -2.921 1.00 51.13 N ATOM 0 H ARG A 74 23.307 -23.042 -2.673 1.00 15.43 H new ATOM 0 HA ARG A 74 25.073 -23.531 -4.892 1.00 43.12 H new ATOM 0 HB2 ARG A 74 25.570 -23.084 -1.922 1.00 71.11 H new ATOM 0 HB3 ARG A 74 26.820 -23.125 -3.150 1.00 71.11 H new ATOM 0 HG2 ARG A 74 25.705 -21.174 -4.284 1.00 2.04 H new ATOM 0 HG3 ARG A 74 24.557 -21.104 -2.962 1.00 2.04 H new ATOM 0 HD2 ARG A 74 26.326 -19.492 -2.543 1.00 54.32 H new ATOM 0 HD3 ARG A 74 26.439 -20.774 -1.354 1.00 54.32 H new ATOM 0 HE ARG A 74 28.150 -21.645 -3.333 1.00 52.21 H new ATOM 0 HH11 ARG A 74 27.771 -18.625 -1.544 1.00 23.13 H new ATOM 0 HH12 ARG A 74 29.489 -18.222 -1.633 1.00 23.13 H new ATOM 0 HH21 ARG A 74 30.356 -21.120 -3.442 1.00 51.13 H new ATOM 0 HH22 ARG A 74 30.946 -19.628 -2.703 1.00 51.13 H new ATOM 1198 N GLY A 75 24.993 -25.696 -2.381 1.00 23.40 N ATOM 1199 CA GLY A 75 25.284 -27.078 -2.044 1.00 11.31 C ATOM 1200 C GLY A 75 25.460 -27.286 -0.553 1.00 2.11 C ATOM 1201 O GLY A 75 26.440 -26.829 0.033 1.00 5.23 O ATOM 0 H GLY A 75 24.603 -25.142 -1.619 1.00 23.40 H new ATOM 0 HA2 GLY A 75 24.476 -27.714 -2.404 1.00 11.31 H new ATOM 0 HA3 GLY A 75 26.191 -27.392 -2.561 1.00 11.31 H new ATOM 1205 N GLY A 76 24.506 -27.977 0.064 1.00 63.54 N ATOM 1206 CA GLY A 76 24.579 -28.231 1.491 1.00 74.44 C ATOM 1207 C GLY A 76 23.587 -29.285 1.943 1.00 50.21 C ATOM 1208 O GLY A 76 22.892 -29.104 2.942 1.00 13.24 O ATOM 0 H GLY A 76 23.684 -28.365 -0.399 1.00 63.54 H new ATOM 0 HA2 GLY A 76 25.588 -28.552 1.749 1.00 74.44 H new ATOM 0 HA3 GLY A 76 24.391 -27.304 2.032 1.00 74.44 H new TER 1212 GLY A 76