USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -141:sc= -0.522 (180deg=-1.82!) USER MOD Set 1.2: A 106 THR OG1 : rot 85:sc= -0.173 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.084 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0608 X(o=-0.061,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= -0.543 (180deg=-2.41!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.92 K(o=-0.92,f=-0.12) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -0.0983 (180deg=-0.537) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -15:sc= 1.13 USER MOD Single : A 43 MET CE :methyl -164:sc= 0 (180deg=-0.253) USER MOD Single : A 44 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 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 73 SER OG : rot -170:sc= -0.869 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -125:sc= -0.269 (180deg=-1.77!) USER MOD Single : A 88 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.0016) USER MOD Single : A 95 ASN : amide:sc= -2.57 K(o=-2.6,f=-0.31) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc=-0.00875 K(o=-0.0087,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.400 0.006 0.859 1.00 64.42 N ATOM 2 CA SER A 3 1.555 -1.387 0.456 1.00 72.32 C ATOM 3 C SER A 3 0.898 -1.637 -0.898 1.00 72.12 C ATOM 4 O SER A 3 0.156 -2.603 -1.071 1.00 53.24 O ATOM 5 CB SER A 3 0.947 -2.315 1.509 1.00 21.43 C ATOM 6 OG SER A 3 1.806 -2.448 2.628 1.00 21.25 O ATOM 0 HA SER A 3 2.621 -1.598 0.368 1.00 72.32 H new ATOM 0 HB2 SER A 3 -0.017 -1.922 1.831 1.00 21.43 H new ATOM 0 HB3 SER A 3 0.761 -3.295 1.071 1.00 21.43 H new ATOM 0 HG SER A 3 1.394 -3.045 3.287 1.00 21.25 H new ATOM 12 N ASN A 4 1.177 -0.758 -1.855 1.00 71.24 N ATOM 13 CA ASN A 4 0.613 -0.882 -3.195 1.00 0.03 C ATOM 14 C ASN A 4 1.529 -1.704 -4.097 1.00 35.35 C ATOM 15 O ASN A 4 1.083 -2.635 -4.767 1.00 41.02 O ATOM 16 CB ASN A 4 0.387 0.503 -3.805 1.00 73.53 C ATOM 17 CG ASN A 4 -0.159 0.429 -5.218 1.00 42.14 C ATOM 18 OD1 ASN A 4 -1.367 0.316 -5.424 1.00 14.30 O ATOM 19 ND2 ASN A 4 0.733 0.493 -6.201 1.00 34.34 N ATOM 0 H ASN A 4 1.790 0.047 -1.728 1.00 71.24 H new ATOM 0 HA ASN A 4 -0.344 -1.397 -3.114 1.00 0.03 H new ATOM 0 HB2 ASN A 4 -0.307 1.064 -3.179 1.00 73.53 H new ATOM 0 HB3 ASN A 4 1.328 1.053 -3.810 1.00 73.53 H new ATOM 0 HD21 ASN A 4 0.425 0.449 -7.172 1.00 34.34 H new ATOM 0 HD22 ASN A 4 1.725 0.587 -5.984 1.00 34.34 H new ATOM 26 N ALA A 5 2.810 -1.354 -4.106 1.00 45.04 N ATOM 27 CA ALA A 5 3.789 -2.061 -4.923 1.00 43.21 C ATOM 28 C ALA A 5 4.575 -3.068 -4.090 1.00 12.21 C ATOM 29 O ALA A 5 5.609 -3.574 -4.523 1.00 3.22 O ATOM 30 CB ALA A 5 4.735 -1.071 -5.588 1.00 73.41 C ATOM 0 H ALA A 5 3.195 -0.585 -3.557 1.00 45.04 H new ATOM 0 HA ALA A 5 3.252 -2.610 -5.696 1.00 43.21 H new ATOM 0 HB1 ALA A 5 5.461 -1.613 -6.195 1.00 73.41 H new ATOM 0 HB2 ALA A 5 4.165 -0.393 -6.223 1.00 73.41 H new ATOM 0 HB3 ALA A 5 5.258 -0.497 -4.823 1.00 73.41 H new ATOM 36 N GLY A 6 4.076 -3.354 -2.891 1.00 5.12 N ATOM 37 CA GLY A 6 4.745 -4.299 -2.016 1.00 4.23 C ATOM 38 C GLY A 6 4.793 -5.697 -2.600 1.00 45.42 C ATOM 39 O GLY A 6 5.715 -6.463 -2.319 1.00 55.31 O ATOM 0 H GLY A 6 3.221 -2.948 -2.510 1.00 5.12 H new ATOM 0 HA2 GLY A 6 5.761 -3.954 -1.823 1.00 4.23 H new ATOM 0 HA3 GLY A 6 4.230 -4.327 -1.056 1.00 4.23 H new ATOM 43 N ALA A 7 3.798 -6.030 -3.415 1.00 32.22 N ATOM 44 CA ALA A 7 3.731 -7.345 -4.040 1.00 54.05 C ATOM 45 C ALA A 7 4.865 -7.535 -5.041 1.00 63.32 C ATOM 46 O ALA A 7 5.514 -8.582 -5.066 1.00 41.43 O ATOM 47 CB ALA A 7 2.384 -7.536 -4.723 1.00 64.33 C ATOM 0 H ALA A 7 3.027 -5.407 -3.658 1.00 32.22 H new ATOM 0 HA ALA A 7 3.841 -8.098 -3.259 1.00 54.05 H new ATOM 0 HB1 ALA A 7 2.347 -8.522 -5.186 1.00 64.33 H new ATOM 0 HB2 ALA A 7 1.587 -7.452 -3.985 1.00 64.33 H new ATOM 0 HB3 ALA A 7 2.252 -6.771 -5.488 1.00 64.33 H new ATOM 53 N ILE A 8 5.099 -6.519 -5.864 1.00 53.24 N ATOM 54 CA ILE A 8 6.156 -6.575 -6.867 1.00 34.24 C ATOM 55 C ILE A 8 7.533 -6.469 -6.220 1.00 55.11 C ATOM 56 O ILE A 8 8.493 -7.087 -6.677 1.00 23.41 O ATOM 57 CB ILE A 8 6.003 -5.452 -7.910 1.00 33.52 C ATOM 58 CG1 ILE A 8 4.641 -5.551 -8.601 1.00 1.31 C ATOM 59 CG2 ILE A 8 7.128 -5.522 -8.932 1.00 33.14 C ATOM 60 CD1 ILE A 8 3.564 -4.725 -7.934 1.00 12.25 C ATOM 0 H ILE A 8 4.571 -5.646 -5.856 1.00 53.24 H new ATOM 0 HA ILE A 8 6.065 -7.539 -7.368 1.00 34.24 H new ATOM 0 HB ILE A 8 6.062 -4.491 -7.399 1.00 33.52 H new ATOM 0 HG12 ILE A 8 4.744 -5.230 -9.637 1.00 1.31 H new ATOM 0 HG13 ILE A 8 4.327 -6.595 -8.620 1.00 1.31 H new ATOM 0 HG21 ILE A 8 7.006 -4.722 -9.662 1.00 33.14 H new ATOM 0 HG22 ILE A 8 8.087 -5.409 -8.426 1.00 33.14 H new ATOM 0 HG23 ILE A 8 7.098 -6.486 -9.441 1.00 33.14 H new ATOM 0 HD11 ILE A 8 2.626 -4.843 -8.477 1.00 12.25 H new ATOM 0 HD12 ILE A 8 3.433 -5.061 -6.905 1.00 12.25 H new ATOM 0 HD13 ILE A 8 3.856 -3.675 -7.938 1.00 12.25 H new ATOM 72 N ALA A 9 7.620 -5.682 -5.153 1.00 11.31 N ATOM 73 CA ALA A 9 8.878 -5.497 -4.441 1.00 22.44 C ATOM 74 C ALA A 9 9.242 -6.742 -3.638 1.00 11.33 C ATOM 75 O ALA A 9 10.419 -7.045 -3.442 1.00 60.54 O ATOM 76 CB ALA A 9 8.795 -4.283 -3.527 1.00 73.33 C ATOM 0 H ALA A 9 6.834 -5.162 -4.763 1.00 11.31 H new ATOM 0 HA ALA A 9 9.663 -5.329 -5.179 1.00 22.44 H new ATOM 0 HB1 ALA A 9 9.742 -4.158 -3.002 1.00 73.33 H new ATOM 0 HB2 ALA A 9 8.589 -3.393 -4.122 1.00 73.33 H new ATOM 0 HB3 ALA A 9 7.994 -4.428 -2.802 1.00 73.33 H new ATOM 82 N LYS A 10 8.224 -7.459 -3.173 1.00 43.23 N ATOM 83 CA LYS A 10 8.436 -8.671 -2.391 1.00 71.35 C ATOM 84 C LYS A 10 9.043 -9.775 -3.252 1.00 41.41 C ATOM 85 O LYS A 10 9.534 -10.780 -2.736 1.00 14.32 O ATOM 86 CB LYS A 10 7.114 -9.150 -1.787 1.00 71.33 C ATOM 87 CG LYS A 10 7.276 -10.285 -0.791 1.00 5.02 C ATOM 88 CD LYS A 10 8.191 -9.892 0.357 1.00 25.30 C ATOM 89 CE LYS A 10 7.977 -10.783 1.571 1.00 72.31 C ATOM 90 NZ LYS A 10 6.826 -10.326 2.398 1.00 72.22 N ATOM 0 H LYS A 10 7.244 -7.221 -3.324 1.00 43.23 H new ATOM 0 HA LYS A 10 9.133 -8.437 -1.586 1.00 71.35 H new ATOM 0 HB2 LYS A 10 6.625 -8.311 -1.292 1.00 71.33 H new ATOM 0 HB3 LYS A 10 6.454 -9.475 -2.591 1.00 71.33 H new ATOM 0 HG2 LYS A 10 6.299 -10.568 -0.399 1.00 5.02 H new ATOM 0 HG3 LYS A 10 7.682 -11.160 -1.298 1.00 5.02 H new ATOM 0 HD2 LYS A 10 9.230 -9.958 0.034 1.00 25.30 H new ATOM 0 HD3 LYS A 10 8.008 -8.853 0.630 1.00 25.30 H new ATOM 0 HE2 LYS A 10 7.804 -11.808 1.243 1.00 72.31 H new ATOM 0 HE3 LYS A 10 8.881 -10.791 2.180 1.00 72.31 H new ATOM 0 HZ1 LYS A 10 6.713 -10.959 3.215 1.00 72.22 H new ATOM 0 HZ2 LYS A 10 7.002 -9.357 2.732 1.00 72.22 H new ATOM 0 HZ3 LYS A 10 5.958 -10.343 1.825 1.00 72.22 H new ATOM 104 N LEU A 11 9.008 -9.580 -4.566 1.00 24.43 N ATOM 105 CA LEU A 11 9.557 -10.559 -5.498 1.00 41.25 C ATOM 106 C LEU A 11 11.072 -10.419 -5.606 1.00 2.13 C ATOM 107 O LEU A 11 11.763 -11.349 -6.024 1.00 0.44 O ATOM 108 CB LEU A 11 8.919 -10.391 -6.879 1.00 0.45 C ATOM 109 CG LEU A 11 7.428 -10.053 -6.892 1.00 12.21 C ATOM 110 CD1 LEU A 11 6.904 -10.007 -8.319 1.00 34.23 C ATOM 111 CD2 LEU A 11 6.645 -11.063 -6.066 1.00 53.01 C ATOM 0 H LEU A 11 8.606 -8.754 -5.009 1.00 24.43 H new ATOM 0 HA LEU A 11 9.329 -11.554 -5.117 1.00 41.25 H new ATOM 0 HB2 LEU A 11 9.454 -9.605 -7.411 1.00 0.45 H new ATOM 0 HB3 LEU A 11 9.067 -11.314 -7.440 1.00 0.45 H new ATOM 0 HG LEU A 11 7.294 -9.068 -6.446 1.00 12.21 H new ATOM 0 HD11 LEU A 11 5.841 -9.765 -8.309 1.00 34.23 H new ATOM 0 HD12 LEU A 11 7.444 -9.245 -8.881 1.00 34.23 H new ATOM 0 HD13 LEU A 11 7.050 -10.978 -8.792 1.00 34.23 H new ATOM 0 HD21 LEU A 11 5.586 -10.807 -6.087 1.00 53.01 H new ATOM 0 HD22 LEU A 11 6.785 -12.060 -6.483 1.00 53.01 H new ATOM 0 HD23 LEU A 11 7.002 -11.046 -5.036 1.00 53.01 H new ATOM 123 N ILE A 12 11.582 -9.253 -5.224 1.00 11.23 N ATOM 124 CA ILE A 12 13.015 -8.993 -5.274 1.00 23.21 C ATOM 125 C ILE A 12 13.794 -10.055 -4.504 1.00 54.22 C ATOM 126 O ILE A 12 14.667 -10.734 -5.045 1.00 33.02 O ATOM 127 CB ILE A 12 13.357 -7.605 -4.700 1.00 35.43 C ATOM 128 CG1 ILE A 12 13.274 -6.541 -5.796 1.00 73.31 C ATOM 129 CG2 ILE A 12 14.742 -7.619 -4.070 1.00 55.43 C ATOM 130 CD1 ILE A 12 14.333 -6.692 -6.866 1.00 33.14 C ATOM 0 H ILE A 12 11.024 -8.473 -4.876 1.00 11.23 H new ATOM 0 HA ILE A 12 13.304 -9.024 -6.325 1.00 23.21 H new ATOM 0 HB ILE A 12 12.630 -7.359 -3.926 1.00 35.43 H new ATOM 0 HG12 ILE A 12 12.289 -6.587 -6.262 1.00 73.31 H new ATOM 0 HG13 ILE A 12 13.366 -5.555 -5.341 1.00 73.31 H new ATOM 0 HG21 ILE A 12 14.969 -6.631 -3.669 1.00 55.43 H new ATOM 0 HG22 ILE A 12 14.768 -8.353 -3.264 1.00 55.43 H new ATOM 0 HG23 ILE A 12 15.482 -7.883 -4.825 1.00 55.43 H new ATOM 0 HD11 ILE A 12 14.214 -5.904 -7.610 1.00 33.14 H new ATOM 0 HD12 ILE A 12 15.321 -6.616 -6.413 1.00 33.14 H new ATOM 0 HD13 ILE A 12 14.228 -7.664 -7.347 1.00 33.14 H new ATOM 142 N PRO A 13 13.470 -10.204 -3.211 1.00 62.10 N ATOM 143 CA PRO A 13 14.126 -11.183 -2.339 1.00 74.51 C ATOM 144 C PRO A 13 13.756 -12.619 -2.699 1.00 12.55 C ATOM 145 O PRO A 13 14.512 -13.552 -2.429 1.00 1.12 O ATOM 146 CB PRO A 13 13.598 -10.828 -0.947 1.00 30.01 C ATOM 147 CG PRO A 13 12.289 -10.162 -1.197 1.00 31.05 C ATOM 148 CD PRO A 13 12.439 -9.429 -2.501 1.00 5.34 C ATOM 0 HA PRO A 13 15.212 -11.140 -2.422 1.00 74.51 H new ATOM 0 HB2 PRO A 13 13.478 -11.719 -0.330 1.00 30.01 H new ATOM 0 HB3 PRO A 13 14.285 -10.166 -0.420 1.00 30.01 H new ATOM 0 HG2 PRO A 13 11.483 -10.894 -1.251 1.00 31.05 H new ATOM 0 HG3 PRO A 13 12.041 -9.474 -0.389 1.00 31.05 H new ATOM 0 HD2 PRO A 13 11.502 -9.403 -3.057 1.00 5.34 H new ATOM 0 HD3 PRO A 13 12.748 -8.395 -2.348 1.00 5.34 H new ATOM 156 N LYS A 14 12.588 -12.788 -3.309 1.00 61.43 N ATOM 157 CA LYS A 14 12.118 -14.110 -3.708 1.00 13.30 C ATOM 158 C LYS A 14 13.158 -14.821 -4.568 1.00 13.03 C ATOM 159 O LYS A 14 13.446 -16.001 -4.363 1.00 13.13 O ATOM 160 CB LYS A 14 10.799 -13.994 -4.475 1.00 52.05 C ATOM 161 CG LYS A 14 9.580 -14.366 -3.649 1.00 53.04 C ATOM 162 CD LYS A 14 9.430 -15.873 -3.524 1.00 54.22 C ATOM 163 CE LYS A 14 8.703 -16.462 -4.724 1.00 22.25 C ATOM 164 NZ LYS A 14 7.778 -17.560 -4.327 1.00 51.32 N ATOM 0 H LYS A 14 11.949 -12.026 -3.538 1.00 61.43 H new ATOM 0 HA LYS A 14 11.956 -14.699 -2.805 1.00 13.30 H new ATOM 0 HB2 LYS A 14 10.686 -12.971 -4.834 1.00 52.05 H new ATOM 0 HB3 LYS A 14 10.842 -14.637 -5.354 1.00 52.05 H new ATOM 0 HG2 LYS A 14 9.664 -13.924 -2.656 1.00 53.04 H new ATOM 0 HG3 LYS A 14 8.685 -13.947 -4.110 1.00 53.04 H new ATOM 0 HD2 LYS A 14 10.415 -16.331 -3.433 1.00 54.22 H new ATOM 0 HD3 LYS A 14 8.882 -16.111 -2.612 1.00 54.22 H new ATOM 0 HE2 LYS A 14 8.140 -15.677 -5.229 1.00 22.25 H new ATOM 0 HE3 LYS A 14 9.432 -16.842 -5.440 1.00 22.25 H new ATOM 0 HZ1 LYS A 14 7.302 -17.935 -5.172 1.00 51.32 H new ATOM 0 HZ2 LYS A 14 8.319 -18.321 -3.868 1.00 51.32 H new ATOM 0 HZ3 LYS A 14 7.067 -17.192 -3.664 1.00 51.32 H new ATOM 178 N LEU A 15 13.719 -14.096 -5.529 1.00 62.52 N ATOM 179 CA LEU A 15 14.729 -14.658 -6.420 1.00 22.04 C ATOM 180 C LEU A 15 16.116 -14.578 -5.789 1.00 72.21 C ATOM 181 O LEU A 15 17.005 -15.363 -6.118 1.00 15.21 O ATOM 182 CB LEU A 15 14.723 -13.921 -7.760 1.00 14.32 C ATOM 183 CG LEU A 15 13.418 -13.985 -8.555 1.00 62.41 C ATOM 184 CD1 LEU A 15 13.208 -12.700 -9.341 1.00 32.42 C ATOM 185 CD2 LEU A 15 13.421 -15.188 -9.487 1.00 71.32 C ATOM 0 H LEU A 15 13.492 -13.118 -5.712 1.00 62.52 H new ATOM 0 HA LEU A 15 14.486 -15.707 -6.589 1.00 22.04 H new ATOM 0 HB2 LEU A 15 14.963 -12.874 -7.577 1.00 14.32 H new ATOM 0 HB3 LEU A 15 15.523 -14.327 -8.379 1.00 14.32 H new ATOM 0 HG LEU A 15 12.592 -14.096 -7.853 1.00 62.41 H new ATOM 0 HD11 LEU A 15 12.275 -12.764 -9.900 1.00 32.42 H new ATOM 0 HD12 LEU A 15 13.161 -11.856 -8.653 1.00 32.42 H new ATOM 0 HD13 LEU A 15 14.037 -12.558 -10.034 1.00 32.42 H new ATOM 0 HD21 LEU A 15 12.485 -15.218 -10.045 1.00 71.32 H new ATOM 0 HD22 LEU A 15 14.256 -15.107 -10.183 1.00 71.32 H new ATOM 0 HD23 LEU A 15 13.524 -16.102 -8.902 1.00 71.32 H new ATOM 197 N GLY A 16 16.293 -13.625 -4.879 1.00 33.10 N ATOM 198 CA GLY A 16 17.573 -13.462 -4.215 1.00 52.31 C ATOM 199 C GLY A 16 18.049 -14.739 -3.551 1.00 53.42 C ATOM 200 O GLY A 16 19.243 -15.035 -3.548 1.00 32.43 O ATOM 0 H GLY A 16 15.573 -12.963 -4.590 1.00 33.10 H new ATOM 0 HA2 GLY A 16 18.317 -13.135 -4.942 1.00 52.31 H new ATOM 0 HA3 GLY A 16 17.492 -12.675 -3.465 1.00 52.31 H new ATOM 204 N GLU A 17 17.112 -15.495 -2.986 1.00 45.25 N ATOM 205 CA GLU A 17 17.444 -16.746 -2.314 1.00 44.53 C ATOM 206 C GLU A 17 18.173 -17.695 -3.261 1.00 21.13 C ATOM 207 O GLU A 17 19.031 -18.472 -2.840 1.00 23.12 O ATOM 208 CB GLU A 17 16.177 -17.415 -1.779 1.00 53.31 C ATOM 209 CG GLU A 17 16.437 -18.396 -0.648 1.00 42.43 C ATOM 210 CD GLU A 17 15.295 -19.373 -0.449 1.00 41.01 C ATOM 211 OE1 GLU A 17 14.260 -19.222 -1.132 1.00 1.14 O ATOM 212 OE2 GLU A 17 15.436 -20.288 0.389 1.00 72.03 O ATOM 0 H GLU A 17 16.119 -15.263 -2.980 1.00 45.25 H new ATOM 0 HA GLU A 17 18.105 -16.516 -1.478 1.00 44.53 H new ATOM 0 HB2 GLU A 17 15.490 -16.645 -1.430 1.00 53.31 H new ATOM 0 HB3 GLU A 17 15.680 -17.939 -2.596 1.00 53.31 H new ATOM 0 HG2 GLU A 17 17.352 -18.950 -0.856 1.00 42.43 H new ATOM 0 HG3 GLU A 17 16.602 -17.843 0.277 1.00 42.43 H new ATOM 219 N LEU A 18 17.825 -17.627 -4.541 1.00 31.41 N ATOM 220 CA LEU A 18 18.445 -18.481 -5.549 1.00 12.14 C ATOM 221 C LEU A 18 19.712 -17.838 -6.102 1.00 40.55 C ATOM 222 O LEU A 18 20.437 -18.446 -6.891 1.00 34.21 O ATOM 223 CB LEU A 18 17.460 -18.758 -6.686 1.00 45.44 C ATOM 224 CG LEU A 18 16.581 -19.998 -6.526 1.00 13.10 C ATOM 225 CD1 LEU A 18 17.438 -21.248 -6.405 1.00 72.45 C ATOM 226 CD2 LEU A 18 15.671 -19.854 -5.314 1.00 42.35 C ATOM 0 H LEU A 18 17.117 -16.990 -4.906 1.00 31.41 H new ATOM 0 HA LEU A 18 18.717 -19.424 -5.075 1.00 12.14 H new ATOM 0 HB2 LEU A 18 16.811 -17.889 -6.797 1.00 45.44 H new ATOM 0 HB3 LEU A 18 18.025 -18.855 -7.613 1.00 45.44 H new ATOM 0 HG LEU A 18 15.957 -20.095 -7.415 1.00 13.10 H new ATOM 0 HD11 LEU A 18 16.795 -22.121 -6.292 1.00 72.45 H new ATOM 0 HD12 LEU A 18 18.047 -21.360 -7.302 1.00 72.45 H new ATOM 0 HD13 LEU A 18 18.088 -21.161 -5.534 1.00 72.45 H new ATOM 0 HD21 LEU A 18 15.052 -20.746 -5.216 1.00 42.35 H new ATOM 0 HD22 LEU A 18 16.277 -19.732 -4.416 1.00 42.35 H new ATOM 0 HD23 LEU A 18 15.031 -18.981 -5.441 1.00 42.35 H new ATOM 238 N LEU A 19 19.975 -16.605 -5.683 1.00 51.45 N ATOM 239 CA LEU A 19 21.157 -15.879 -6.136 1.00 14.44 C ATOM 240 C LEU A 19 22.287 -15.991 -5.118 1.00 2.11 C ATOM 241 O LEU A 19 23.403 -15.531 -5.361 1.00 22.33 O ATOM 242 CB LEU A 19 20.815 -14.407 -6.375 1.00 12.12 C ATOM 243 CG LEU A 19 20.693 -13.975 -7.837 1.00 33.14 C ATOM 244 CD1 LEU A 19 22.059 -13.961 -8.505 1.00 12.43 C ATOM 245 CD2 LEU A 19 19.740 -14.895 -8.586 1.00 51.45 C ATOM 0 H LEU A 19 19.386 -16.087 -5.031 1.00 51.45 H new ATOM 0 HA LEU A 19 21.491 -16.325 -7.073 1.00 14.44 H new ATOM 0 HB2 LEU A 19 19.873 -14.187 -5.872 1.00 12.12 H new ATOM 0 HB3 LEU A 19 21.581 -13.795 -5.899 1.00 12.12 H new ATOM 0 HG LEU A 19 20.288 -12.964 -7.865 1.00 33.14 H new ATOM 0 HD11 LEU A 19 21.952 -13.651 -9.545 1.00 12.43 H new ATOM 0 HD12 LEU A 19 22.712 -13.262 -7.983 1.00 12.43 H new ATOM 0 HD13 LEU A 19 22.493 -14.960 -8.467 1.00 12.43 H new ATOM 0 HD21 LEU A 19 19.665 -14.573 -9.625 1.00 51.45 H new ATOM 0 HD22 LEU A 19 20.117 -15.917 -8.549 1.00 51.45 H new ATOM 0 HD23 LEU A 19 18.755 -14.854 -8.121 1.00 51.45 H new ATOM 257 N VAL A 20 21.991 -16.607 -3.978 1.00 24.21 N ATOM 258 CA VAL A 20 22.984 -16.783 -2.924 1.00 74.42 C ATOM 259 C VAL A 20 23.915 -17.949 -3.236 1.00 31.52 C ATOM 260 O VAL A 20 25.081 -17.949 -2.842 1.00 55.03 O ATOM 261 CB VAL A 20 22.315 -17.026 -1.558 1.00 54.22 C ATOM 262 CG1 VAL A 20 21.346 -15.899 -1.230 1.00 65.41 C ATOM 263 CG2 VAL A 20 21.605 -18.371 -1.544 1.00 74.14 C ATOM 0 H VAL A 20 21.072 -16.993 -3.760 1.00 24.21 H new ATOM 0 HA VAL A 20 23.564 -15.861 -2.878 1.00 74.42 H new ATOM 0 HB VAL A 20 23.090 -17.042 -0.791 1.00 54.22 H new ATOM 0 HG11 VAL A 20 20.883 -16.088 -0.262 1.00 65.41 H new ATOM 0 HG12 VAL A 20 21.886 -14.953 -1.196 1.00 65.41 H new ATOM 0 HG13 VAL A 20 20.574 -15.848 -1.998 1.00 65.41 H new ATOM 0 HG21 VAL A 20 21.138 -18.526 -0.571 1.00 74.14 H new ATOM 0 HG22 VAL A 20 20.840 -18.387 -2.320 1.00 74.14 H new ATOM 0 HG23 VAL A 20 22.327 -19.166 -1.730 1.00 74.14 H new ATOM 273 N GLY A 21 23.392 -18.944 -3.947 1.00 31.14 N ATOM 274 CA GLY A 21 24.190 -20.103 -4.300 1.00 24.32 C ATOM 275 C GLY A 21 24.267 -21.119 -3.177 1.00 15.20 C ATOM 276 O GLY A 21 25.248 -21.852 -3.061 1.00 73.21 O ATOM 0 H GLY A 21 22.430 -18.967 -4.285 1.00 31.14 H new ATOM 0 HA2 GLY A 21 23.766 -20.576 -5.185 1.00 24.32 H new ATOM 0 HA3 GLY A 21 25.197 -19.780 -4.563 1.00 24.32 H new ATOM 280 N GLU A 22 23.229 -21.160 -2.347 1.00 73.42 N ATOM 281 CA GLU A 22 23.184 -22.092 -1.227 1.00 24.35 C ATOM 282 C GLU A 22 22.222 -23.242 -1.512 1.00 43.24 C ATOM 283 O GLU A 22 21.105 -23.274 -0.995 1.00 43.15 O ATOM 284 CB GLU A 22 22.763 -21.366 0.053 1.00 62.32 C ATOM 285 CG GLU A 22 22.647 -22.280 1.261 1.00 33.31 C ATOM 286 CD GLU A 22 22.747 -21.528 2.574 1.00 51.33 C ATOM 287 OE1 GLU A 22 23.877 -21.179 2.974 1.00 62.13 O ATOM 288 OE2 GLU A 22 21.694 -21.287 3.201 1.00 72.23 O ATOM 0 H GLU A 22 22.409 -20.559 -2.429 1.00 73.42 H new ATOM 0 HA GLU A 22 24.184 -22.504 -1.091 1.00 24.35 H new ATOM 0 HB2 GLU A 22 23.487 -20.581 0.270 1.00 62.32 H new ATOM 0 HB3 GLU A 22 21.804 -20.877 -0.116 1.00 62.32 H new ATOM 0 HG2 GLU A 22 21.695 -22.809 1.221 1.00 33.31 H new ATOM 0 HG3 GLU A 22 23.433 -23.034 1.218 1.00 33.31 H new ATOM 295 N TYR A 23 22.664 -24.183 -2.339 1.00 51.13 N ATOM 296 CA TYR A 23 21.842 -25.333 -2.697 1.00 51.10 C ATOM 297 C TYR A 23 22.712 -26.530 -3.069 1.00 51.44 C ATOM 298 O TYR A 23 23.939 -26.437 -3.092 1.00 24.41 O ATOM 299 CB TYR A 23 20.914 -24.981 -3.861 1.00 42.21 C ATOM 300 CG TYR A 23 19.852 -23.967 -3.503 1.00 55.50 C ATOM 301 CD1 TYR A 23 18.646 -24.364 -2.937 1.00 63.45 C ATOM 302 CD2 TYR A 23 20.052 -22.611 -3.731 1.00 40.20 C ATOM 303 CE1 TYR A 23 17.672 -23.442 -2.609 1.00 41.53 C ATOM 304 CE2 TYR A 23 19.084 -21.681 -3.405 1.00 1.23 C ATOM 305 CZ TYR A 23 17.896 -22.101 -2.844 1.00 51.03 C ATOM 306 OH TYR A 23 16.929 -21.178 -2.519 1.00 54.21 O ATOM 0 H TYR A 23 23.587 -24.172 -2.774 1.00 51.13 H new ATOM 0 HA TYR A 23 21.239 -25.601 -1.829 1.00 51.10 H new ATOM 0 HB2 TYR A 23 21.511 -24.593 -4.686 1.00 42.21 H new ATOM 0 HB3 TYR A 23 20.431 -25.891 -4.217 1.00 42.21 H new ATOM 0 HD1 TYR A 23 18.468 -25.413 -2.750 1.00 63.45 H new ATOM 0 HD2 TYR A 23 20.981 -22.278 -4.171 1.00 40.20 H new ATOM 0 HE1 TYR A 23 16.740 -23.769 -2.171 1.00 41.53 H new ATOM 0 HE2 TYR A 23 19.256 -20.631 -3.588 1.00 1.23 H new ATOM 0 HH TYR A 23 16.409 -21.504 -1.755 1.00 54.21 H new ATOM 316 N LYS A 24 22.066 -27.654 -3.362 1.00 4.50 N ATOM 317 CA LYS A 24 22.778 -28.870 -3.736 1.00 1.02 C ATOM 318 C LYS A 24 22.606 -29.166 -5.222 1.00 72.12 C ATOM 319 O LYS A 24 22.155 -30.248 -5.602 1.00 42.20 O ATOM 320 CB LYS A 24 22.276 -30.054 -2.907 1.00 74.54 C ATOM 321 CG LYS A 24 23.213 -31.250 -2.924 1.00 52.41 C ATOM 322 CD LYS A 24 22.627 -32.428 -2.164 1.00 4.11 C ATOM 323 CE LYS A 24 23.523 -33.654 -2.261 1.00 13.35 C ATOM 324 NZ LYS A 24 24.601 -33.635 -1.234 1.00 45.01 N ATOM 0 H LYS A 24 21.050 -27.748 -3.348 1.00 4.50 H new ATOM 0 HA LYS A 24 23.838 -28.717 -3.535 1.00 1.02 H new ATOM 0 HB2 LYS A 24 22.133 -29.730 -1.876 1.00 74.54 H new ATOM 0 HB3 LYS A 24 21.300 -30.362 -3.283 1.00 74.54 H new ATOM 0 HG2 LYS A 24 23.411 -31.543 -3.955 1.00 52.41 H new ATOM 0 HG3 LYS A 24 24.169 -30.970 -2.482 1.00 52.41 H new ATOM 0 HD2 LYS A 24 22.492 -32.156 -1.117 1.00 4.11 H new ATOM 0 HD3 LYS A 24 21.640 -32.665 -2.562 1.00 4.11 H new ATOM 0 HE2 LYS A 24 22.921 -34.554 -2.139 1.00 13.35 H new ATOM 0 HE3 LYS A 24 23.969 -33.701 -3.255 1.00 13.35 H new ATOM 0 HZ1 LYS A 24 25.190 -34.487 -1.333 1.00 45.01 H new ATOM 0 HZ2 LYS A 24 25.191 -32.789 -1.366 1.00 45.01 H new ATOM 0 HZ3 LYS A 24 24.176 -33.616 -0.285 1.00 45.01 H new ATOM 338 N LEU A 25 22.968 -28.200 -6.059 1.00 62.20 N ATOM 339 CA LEU A 25 22.855 -28.358 -7.505 1.00 22.11 C ATOM 340 C LEU A 25 23.845 -27.452 -8.231 1.00 31.44 C ATOM 341 O LEU A 25 24.513 -26.624 -7.612 1.00 2.52 O ATOM 342 CB LEU A 25 21.429 -28.045 -7.962 1.00 45.40 C ATOM 343 CG LEU A 25 20.803 -26.775 -7.384 1.00 31.45 C ATOM 344 CD1 LEU A 25 21.359 -25.542 -8.077 1.00 43.50 C ATOM 345 CD2 LEU A 25 19.287 -26.823 -7.511 1.00 23.13 C ATOM 0 H LEU A 25 23.342 -27.299 -5.761 1.00 62.20 H new ATOM 0 HA LEU A 25 23.090 -29.393 -7.752 1.00 22.11 H new ATOM 0 HB2 LEU A 25 21.426 -27.965 -9.049 1.00 45.40 H new ATOM 0 HB3 LEU A 25 20.792 -28.891 -7.703 1.00 45.40 H new ATOM 0 HG LEU A 25 21.058 -26.717 -6.326 1.00 31.45 H new ATOM 0 HD11 LEU A 25 20.902 -24.648 -7.652 1.00 43.50 H new ATOM 0 HD12 LEU A 25 22.439 -25.500 -7.934 1.00 43.50 H new ATOM 0 HD13 LEU A 25 21.136 -25.592 -9.143 1.00 43.50 H new ATOM 0 HD21 LEU A 25 18.858 -25.912 -7.095 1.00 23.13 H new ATOM 0 HD22 LEU A 25 19.012 -26.906 -8.563 1.00 23.13 H new ATOM 0 HD23 LEU A 25 18.903 -27.686 -6.967 1.00 23.13 H new ATOM 357 N HIS A 26 23.932 -27.615 -9.547 1.00 43.31 N ATOM 358 CA HIS A 26 24.839 -26.809 -10.358 1.00 75.41 C ATOM 359 C HIS A 26 24.554 -25.322 -10.176 1.00 51.40 C ATOM 360 O HIS A 26 23.401 -24.911 -10.037 1.00 24.53 O ATOM 361 CB HIS A 26 24.709 -27.188 -11.834 1.00 24.43 C ATOM 362 CG HIS A 26 25.975 -27.004 -12.612 1.00 64.35 C ATOM 363 ND1 HIS A 26 27.185 -27.537 -12.219 1.00 41.32 N ATOM 364 CD2 HIS A 26 26.215 -26.343 -13.769 1.00 22.20 C ATOM 365 CE1 HIS A 26 28.114 -27.210 -13.099 1.00 45.41 C ATOM 366 NE2 HIS A 26 27.552 -26.486 -14.050 1.00 12.42 N ATOM 0 H HIS A 26 23.387 -28.297 -10.075 1.00 43.31 H new ATOM 0 HA HIS A 26 25.858 -27.009 -10.027 1.00 75.41 H new ATOM 0 HB2 HIS A 26 24.395 -28.229 -11.907 1.00 24.43 H new ATOM 0 HB3 HIS A 26 23.922 -26.585 -12.288 1.00 24.43 H new ATOM 0 HD2 HIS A 26 25.490 -25.804 -14.361 1.00 22.20 H new ATOM 0 HE1 HIS A 26 29.157 -27.488 -13.049 1.00 45.41 H new ATOM 0 HE2 HIS A 26 28.033 -26.096 -14.861 1.00 12.42 H new ATOM 374 N LYS A 27 25.612 -24.517 -10.177 1.00 74.43 N ATOM 375 CA LYS A 27 25.477 -23.075 -10.013 1.00 13.11 C ATOM 376 C LYS A 27 24.857 -22.441 -11.255 1.00 25.34 C ATOM 377 O LYS A 27 24.249 -21.375 -11.181 1.00 41.52 O ATOM 378 CB LYS A 27 26.842 -22.443 -9.732 1.00 31.12 C ATOM 379 CG LYS A 27 27.216 -22.434 -8.260 1.00 4.21 C ATOM 380 CD LYS A 27 27.835 -23.755 -7.834 1.00 11.45 C ATOM 381 CE LYS A 27 28.260 -23.726 -6.373 1.00 53.53 C ATOM 382 NZ LYS A 27 29.339 -24.712 -6.090 1.00 1.51 N ATOM 0 H LYS A 27 26.573 -24.840 -10.290 1.00 74.43 H new ATOM 0 HA LYS A 27 24.817 -22.891 -9.165 1.00 13.11 H new ATOM 0 HB2 LYS A 27 27.606 -22.985 -10.289 1.00 31.12 H new ATOM 0 HB3 LYS A 27 26.843 -21.419 -10.105 1.00 31.12 H new ATOM 0 HG2 LYS A 27 27.918 -21.623 -8.067 1.00 4.21 H new ATOM 0 HG3 LYS A 27 26.328 -22.237 -7.659 1.00 4.21 H new ATOM 0 HD2 LYS A 27 27.118 -24.561 -7.990 1.00 11.45 H new ATOM 0 HD3 LYS A 27 28.700 -23.972 -8.461 1.00 11.45 H new ATOM 0 HE2 LYS A 27 28.606 -22.725 -6.115 1.00 53.53 H new ATOM 0 HE3 LYS A 27 27.399 -23.938 -5.740 1.00 53.53 H new ATOM 0 HZ1 LYS A 27 29.601 -24.661 -5.085 1.00 1.51 H new ATOM 0 HZ2 LYS A 27 29.001 -25.670 -6.312 1.00 1.51 H new ATOM 0 HZ3 LYS A 27 30.171 -24.494 -6.675 1.00 1.51 H new ATOM 396 N GLY A 28 25.016 -23.107 -12.395 1.00 13.22 N ATOM 397 CA GLY A 28 24.465 -22.594 -13.636 1.00 3.33 C ATOM 398 C GLY A 28 22.992 -22.256 -13.521 1.00 30.33 C ATOM 399 O GLY A 28 22.491 -21.381 -14.226 1.00 42.44 O ATOM 0 H GLY A 28 25.516 -23.992 -12.481 1.00 13.22 H new ATOM 0 HA2 GLY A 28 25.017 -21.702 -13.934 1.00 3.33 H new ATOM 0 HA3 GLY A 28 24.604 -23.333 -14.425 1.00 3.33 H new ATOM 403 N VAL A 29 22.294 -22.954 -12.630 1.00 5.13 N ATOM 404 CA VAL A 29 20.869 -22.724 -12.425 1.00 63.10 C ATOM 405 C VAL A 29 20.605 -21.299 -11.952 1.00 73.14 C ATOM 406 O VAL A 29 19.560 -20.719 -12.248 1.00 13.12 O ATOM 407 CB VAL A 29 20.284 -23.711 -11.398 1.00 34.12 C ATOM 408 CG1 VAL A 29 18.804 -23.435 -11.175 1.00 5.11 C ATOM 409 CG2 VAL A 29 20.504 -25.146 -11.853 1.00 11.15 C ATOM 0 H VAL A 29 22.693 -23.683 -12.039 1.00 5.13 H new ATOM 0 HA VAL A 29 20.381 -22.880 -13.387 1.00 63.10 H new ATOM 0 HB VAL A 29 20.802 -23.571 -10.449 1.00 34.12 H new ATOM 0 HG11 VAL A 29 18.408 -24.142 -10.446 1.00 5.11 H new ATOM 0 HG12 VAL A 29 18.676 -22.419 -10.802 1.00 5.11 H new ATOM 0 HG13 VAL A 29 18.267 -23.546 -12.117 1.00 5.11 H new ATOM 0 HG21 VAL A 29 20.084 -25.830 -11.115 1.00 11.15 H new ATOM 0 HG22 VAL A 29 20.013 -25.302 -12.814 1.00 11.15 H new ATOM 0 HG23 VAL A 29 21.572 -25.335 -11.957 1.00 11.15 H new ATOM 419 N LYS A 30 21.559 -20.739 -11.217 1.00 13.05 N ATOM 420 CA LYS A 30 21.431 -19.380 -10.703 1.00 63.22 C ATOM 421 C LYS A 30 21.442 -18.365 -11.842 1.00 32.22 C ATOM 422 O LYS A 30 20.742 -17.353 -11.792 1.00 25.12 O ATOM 423 CB LYS A 30 22.566 -19.075 -9.723 1.00 42.21 C ATOM 424 CG LYS A 30 22.705 -20.103 -8.613 1.00 54.44 C ATOM 425 CD LYS A 30 24.042 -19.980 -7.903 1.00 42.50 C ATOM 426 CE LYS A 30 24.176 -18.641 -7.194 1.00 13.40 C ATOM 427 NZ LYS A 30 25.541 -18.443 -6.634 1.00 23.21 N ATOM 0 H LYS A 30 22.430 -21.205 -10.963 1.00 13.05 H new ATOM 0 HA LYS A 30 20.477 -19.303 -10.180 1.00 63.22 H new ATOM 0 HB2 LYS A 30 23.505 -19.018 -10.274 1.00 42.21 H new ATOM 0 HB3 LYS A 30 22.397 -18.094 -9.279 1.00 42.21 H new ATOM 0 HG2 LYS A 30 21.897 -19.974 -7.893 1.00 54.44 H new ATOM 0 HG3 LYS A 30 22.604 -21.105 -9.029 1.00 54.44 H new ATOM 0 HD2 LYS A 30 24.146 -20.788 -7.179 1.00 42.50 H new ATOM 0 HD3 LYS A 30 24.850 -20.093 -8.625 1.00 42.50 H new ATOM 0 HE2 LYS A 30 23.950 -17.836 -7.893 1.00 13.40 H new ATOM 0 HE3 LYS A 30 23.442 -18.581 -6.391 1.00 13.40 H new ATOM 0 HZ1 LYS A 30 25.472 -17.977 -5.707 1.00 23.21 H new ATOM 0 HZ2 LYS A 30 26.008 -19.366 -6.524 1.00 23.21 H new ATOM 0 HZ3 LYS A 30 26.098 -17.848 -7.280 1.00 23.21 H new ATOM 441 N LYS A 31 22.238 -18.643 -12.868 1.00 42.25 N ATOM 442 CA LYS A 31 22.338 -17.756 -14.022 1.00 22.14 C ATOM 443 C LYS A 31 20.961 -17.477 -14.614 1.00 54.31 C ATOM 444 O LYS A 31 20.703 -16.387 -15.122 1.00 50.54 O ATOM 445 CB LYS A 31 23.248 -18.372 -15.087 1.00 10.20 C ATOM 446 CG LYS A 31 24.580 -18.859 -14.542 1.00 54.31 C ATOM 447 CD LYS A 31 25.569 -19.144 -15.660 1.00 12.42 C ATOM 448 CE LYS A 31 25.114 -20.311 -16.523 1.00 0.34 C ATOM 449 NZ LYS A 31 26.246 -20.918 -17.275 1.00 63.41 N ATOM 0 H LYS A 31 22.824 -19.476 -12.925 1.00 42.25 H new ATOM 0 HA LYS A 31 22.768 -16.812 -13.687 1.00 22.14 H new ATOM 0 HB2 LYS A 31 22.730 -19.208 -15.556 1.00 10.20 H new ATOM 0 HB3 LYS A 31 23.432 -17.633 -15.867 1.00 10.20 H new ATOM 0 HG2 LYS A 31 24.996 -18.108 -13.870 1.00 54.31 H new ATOM 0 HG3 LYS A 31 24.425 -19.763 -13.953 1.00 54.31 H new ATOM 0 HD2 LYS A 31 25.685 -18.255 -16.280 1.00 12.42 H new ATOM 0 HD3 LYS A 31 26.548 -19.365 -15.234 1.00 12.42 H new ATOM 0 HE2 LYS A 31 24.648 -21.069 -15.893 1.00 0.34 H new ATOM 0 HE3 LYS A 31 24.353 -19.969 -17.225 1.00 0.34 H new ATOM 0 HZ1 LYS A 31 25.895 -21.710 -17.851 1.00 63.41 H new ATOM 0 HZ2 LYS A 31 26.675 -20.202 -17.895 1.00 63.41 H new ATOM 0 HZ3 LYS A 31 26.960 -21.267 -16.605 1.00 63.41 H new ATOM 463 N ASN A 32 20.079 -18.469 -14.544 1.00 12.35 N ATOM 464 CA ASN A 32 18.727 -18.329 -15.072 1.00 51.44 C ATOM 465 C ASN A 32 17.863 -17.485 -14.140 1.00 52.11 C ATOM 466 O ASN A 32 16.989 -16.743 -14.590 1.00 10.23 O ATOM 467 CB ASN A 32 18.089 -19.705 -15.271 1.00 22.25 C ATOM 468 CG ASN A 32 18.158 -20.172 -16.712 1.00 30.23 C ATOM 469 OD1 ASN A 32 18.748 -21.210 -17.012 1.00 45.21 O ATOM 470 ND2 ASN A 32 17.553 -19.406 -17.611 1.00 52.44 N ATOM 0 H ASN A 32 20.277 -19.379 -14.127 1.00 12.35 H new ATOM 0 HA ASN A 32 18.791 -17.823 -16.036 1.00 51.44 H new ATOM 0 HB2 ASN A 32 18.592 -20.431 -14.632 1.00 22.25 H new ATOM 0 HB3 ASN A 32 17.047 -19.669 -14.953 1.00 22.25 H new ATOM 0 HD21 ASN A 32 17.565 -19.669 -18.596 1.00 52.44 H new ATOM 0 HD22 ASN A 32 17.076 -18.554 -17.317 1.00 52.44 H new ATOM 477 N ILE A 33 18.114 -17.604 -12.841 1.00 13.32 N ATOM 478 CA ILE A 33 17.360 -16.851 -11.846 1.00 2.12 C ATOM 479 C ILE A 33 17.773 -15.383 -11.838 1.00 63.02 C ATOM 480 O ILE A 33 16.931 -14.491 -11.930 1.00 72.03 O ATOM 481 CB ILE A 33 17.553 -17.434 -10.434 1.00 23.25 C ATOM 482 CG1 ILE A 33 17.269 -18.938 -10.436 1.00 12.43 C ATOM 483 CG2 ILE A 33 16.651 -16.720 -9.438 1.00 23.42 C ATOM 484 CD1 ILE A 33 15.880 -19.289 -10.920 1.00 74.03 C ATOM 0 H ILE A 33 18.833 -18.214 -12.453 1.00 13.32 H new ATOM 0 HA ILE A 33 16.308 -16.929 -12.122 1.00 2.12 H new ATOM 0 HB ILE A 33 18.589 -17.280 -10.132 1.00 23.25 H new ATOM 0 HG12 ILE A 33 18.003 -19.437 -11.069 1.00 12.43 H new ATOM 0 HG13 ILE A 33 17.402 -19.326 -9.426 1.00 12.43 H new ATOM 0 HG21 ILE A 33 16.799 -17.143 -8.445 1.00 23.42 H new ATOM 0 HG22 ILE A 33 16.897 -15.658 -9.420 1.00 23.42 H new ATOM 0 HG23 ILE A 33 15.610 -16.846 -9.735 1.00 23.42 H new ATOM 0 HD11 ILE A 33 15.748 -20.371 -10.895 1.00 74.03 H new ATOM 0 HD12 ILE A 33 15.140 -18.818 -10.273 1.00 74.03 H new ATOM 0 HD13 ILE A 33 15.749 -18.931 -11.941 1.00 74.03 H new ATOM 496 N GLU A 34 19.076 -15.141 -11.729 1.00 71.04 N ATOM 497 CA GLU A 34 19.601 -13.781 -11.711 1.00 55.41 C ATOM 498 C GLU A 34 19.076 -12.979 -12.899 1.00 33.01 C ATOM 499 O GLU A 34 18.911 -11.762 -12.816 1.00 12.22 O ATOM 500 CB GLU A 34 21.130 -13.800 -11.731 1.00 4.22 C ATOM 501 CG GLU A 34 21.717 -14.213 -13.070 1.00 53.34 C ATOM 502 CD GLU A 34 23.230 -14.115 -13.100 1.00 54.21 C ATOM 503 OE1 GLU A 34 23.860 -14.358 -12.050 1.00 31.24 O ATOM 504 OE2 GLU A 34 23.783 -13.795 -14.173 1.00 1.14 O ATOM 0 H GLU A 34 19.787 -15.869 -11.652 1.00 71.04 H new ATOM 0 HA GLU A 34 19.263 -13.301 -10.793 1.00 55.41 H new ATOM 0 HB2 GLU A 34 21.500 -12.808 -11.472 1.00 4.22 H new ATOM 0 HB3 GLU A 34 21.486 -14.484 -10.961 1.00 4.22 H new ATOM 0 HG2 GLU A 34 21.419 -15.238 -13.293 1.00 53.34 H new ATOM 0 HG3 GLU A 34 21.300 -13.582 -13.855 1.00 53.34 H new ATOM 511 N ASP A 35 18.816 -13.670 -14.003 1.00 60.50 N ATOM 512 CA ASP A 35 18.310 -13.024 -15.208 1.00 75.54 C ATOM 513 C ASP A 35 16.921 -12.440 -14.969 1.00 71.11 C ATOM 514 O ASP A 35 16.597 -11.359 -15.463 1.00 72.33 O ATOM 515 CB ASP A 35 18.264 -14.022 -16.367 1.00 31.23 C ATOM 516 CG ASP A 35 18.291 -13.340 -17.720 1.00 52.31 C ATOM 517 OD1 ASP A 35 17.518 -12.378 -17.916 1.00 1.05 O ATOM 518 OD2 ASP A 35 19.085 -13.767 -18.584 1.00 2.53 O ATOM 0 H ASP A 35 18.947 -14.678 -14.088 1.00 60.50 H new ATOM 0 HA ASP A 35 18.988 -12.210 -15.466 1.00 75.54 H new ATOM 0 HB2 ASP A 35 19.111 -14.703 -16.290 1.00 31.23 H new ATOM 0 HB3 ASP A 35 17.361 -14.627 -16.286 1.00 31.23 H new ATOM 523 N LEU A 36 16.104 -13.161 -14.209 1.00 61.43 N ATOM 524 CA LEU A 36 14.749 -12.715 -13.905 1.00 31.21 C ATOM 525 C LEU A 36 14.767 -11.554 -12.916 1.00 42.35 C ATOM 526 O LEU A 36 14.001 -10.598 -13.050 1.00 63.34 O ATOM 527 CB LEU A 36 13.926 -13.872 -13.335 1.00 50.10 C ATOM 528 CG LEU A 36 12.436 -13.870 -13.681 1.00 24.15 C ATOM 529 CD1 LEU A 36 12.237 -13.975 -15.185 1.00 2.14 C ATOM 530 CD2 LEU A 36 11.722 -15.007 -12.965 1.00 73.45 C ATOM 0 H LEU A 36 16.356 -14.057 -13.792 1.00 61.43 H new ATOM 0 HA LEU A 36 14.289 -12.372 -14.832 1.00 31.21 H new ATOM 0 HB2 LEU A 36 14.359 -14.808 -13.688 1.00 50.10 H new ATOM 0 HB3 LEU A 36 14.027 -13.863 -12.250 1.00 50.10 H new ATOM 0 HG LEU A 36 12.005 -12.927 -13.344 1.00 24.15 H new ATOM 0 HD11 LEU A 36 11.171 -13.972 -15.412 1.00 2.14 H new ATOM 0 HD12 LEU A 36 12.715 -13.127 -15.675 1.00 2.14 H new ATOM 0 HD13 LEU A 36 12.683 -14.902 -15.547 1.00 2.14 H new ATOM 0 HD21 LEU A 36 10.663 -14.991 -13.222 1.00 73.45 H new ATOM 0 HD22 LEU A 36 12.155 -15.959 -13.271 1.00 73.45 H new ATOM 0 HD23 LEU A 36 11.835 -14.887 -11.888 1.00 73.45 H new ATOM 542 N LEU A 37 15.647 -11.641 -11.925 1.00 64.04 N ATOM 543 CA LEU A 37 15.768 -10.596 -10.915 1.00 13.13 C ATOM 544 C LEU A 37 16.326 -9.313 -11.522 1.00 2.02 C ATOM 545 O LEU A 37 15.962 -8.210 -11.113 1.00 45.01 O ATOM 546 CB LEU A 37 16.668 -11.066 -9.771 1.00 30.41 C ATOM 547 CG LEU A 37 17.038 -10.010 -8.729 1.00 54.45 C ATOM 548 CD1 LEU A 37 15.803 -9.562 -7.962 1.00 25.23 C ATOM 549 CD2 LEU A 37 18.095 -10.547 -7.776 1.00 62.14 C ATOM 0 H LEU A 37 16.288 -12.425 -11.799 1.00 64.04 H new ATOM 0 HA LEU A 37 14.772 -10.387 -10.523 1.00 13.13 H new ATOM 0 HB2 LEU A 37 16.172 -11.892 -9.261 1.00 30.41 H new ATOM 0 HB3 LEU A 37 17.588 -11.463 -10.199 1.00 30.41 H new ATOM 0 HG LEU A 37 17.452 -9.145 -9.247 1.00 54.45 H new ATOM 0 HD11 LEU A 37 16.085 -8.810 -7.225 1.00 25.23 H new ATOM 0 HD12 LEU A 37 15.079 -9.136 -8.656 1.00 25.23 H new ATOM 0 HD13 LEU A 37 15.359 -10.419 -7.455 1.00 25.23 H new ATOM 0 HD21 LEU A 37 18.346 -9.781 -7.042 1.00 62.14 H new ATOM 0 HD22 LEU A 37 17.709 -11.428 -7.264 1.00 62.14 H new ATOM 0 HD23 LEU A 37 18.989 -10.816 -8.339 1.00 62.14 H new ATOM 561 N LYS A 38 17.211 -9.464 -12.502 1.00 33.54 N ATOM 562 CA LYS A 38 17.818 -8.319 -13.169 1.00 13.00 C ATOM 563 C LYS A 38 16.753 -7.439 -13.816 1.00 11.02 C ATOM 564 O LYS A 38 16.813 -6.213 -13.730 1.00 41.04 O ATOM 565 CB LYS A 38 18.817 -8.790 -14.228 1.00 22.22 C ATOM 566 CG LYS A 38 19.883 -7.760 -14.559 1.00 51.14 C ATOM 567 CD LYS A 38 21.149 -8.416 -15.084 1.00 72.33 C ATOM 568 CE LYS A 38 21.084 -8.628 -16.589 1.00 43.21 C ATOM 569 NZ LYS A 38 21.058 -7.336 -17.330 1.00 65.41 N ATOM 0 H LYS A 38 17.524 -10.370 -12.852 1.00 33.54 H new ATOM 0 HA LYS A 38 18.344 -7.730 -12.418 1.00 13.00 H new ATOM 0 HB2 LYS A 38 19.301 -9.702 -13.879 1.00 22.22 H new ATOM 0 HB3 LYS A 38 18.275 -9.045 -15.139 1.00 22.22 H new ATOM 0 HG2 LYS A 38 19.498 -7.063 -15.303 1.00 51.14 H new ATOM 0 HG3 LYS A 38 20.117 -7.178 -13.668 1.00 51.14 H new ATOM 0 HD2 LYS A 38 22.010 -7.794 -14.840 1.00 72.33 H new ATOM 0 HD3 LYS A 38 21.297 -9.375 -14.586 1.00 72.33 H new ATOM 0 HE2 LYS A 38 21.945 -9.214 -16.911 1.00 43.21 H new ATOM 0 HE3 LYS A 38 20.194 -9.207 -16.836 1.00 43.21 H new ATOM 0 HZ1 LYS A 38 20.185 -7.275 -17.891 1.00 65.41 H new ATOM 0 HZ2 LYS A 38 21.090 -6.547 -16.653 1.00 65.41 H new ATOM 0 HZ3 LYS A 38 21.881 -7.283 -17.964 1.00 65.41 H new ATOM 583 N GLU A 39 15.779 -8.073 -14.461 1.00 31.51 N ATOM 584 CA GLU A 39 14.701 -7.347 -15.121 1.00 11.30 C ATOM 585 C GLU A 39 13.702 -6.810 -14.100 1.00 50.51 C ATOM 586 O GLU A 39 13.300 -5.647 -14.160 1.00 54.14 O ATOM 587 CB GLU A 39 13.984 -8.253 -16.124 1.00 62.10 C ATOM 588 CG GLU A 39 14.926 -8.976 -17.072 1.00 60.11 C ATOM 589 CD GLU A 39 14.225 -10.046 -17.887 1.00 44.44 C ATOM 590 OE1 GLU A 39 13.777 -11.047 -17.291 1.00 0.14 O ATOM 591 OE2 GLU A 39 14.126 -9.882 -19.121 1.00 53.22 O ATOM 0 H GLU A 39 15.715 -9.088 -14.540 1.00 31.51 H new ATOM 0 HA GLU A 39 15.139 -6.503 -15.654 1.00 11.30 H new ATOM 0 HB2 GLU A 39 13.395 -8.990 -15.579 1.00 62.10 H new ATOM 0 HB3 GLU A 39 13.285 -7.654 -16.707 1.00 62.10 H new ATOM 0 HG2 GLU A 39 15.383 -8.252 -17.746 1.00 60.11 H new ATOM 0 HG3 GLU A 39 15.733 -9.432 -16.499 1.00 60.11 H new ATOM 598 N LEU A 40 13.305 -7.664 -13.164 1.00 2.05 N ATOM 599 CA LEU A 40 12.353 -7.277 -12.129 1.00 14.24 C ATOM 600 C LEU A 40 12.888 -6.109 -11.305 1.00 74.54 C ATOM 601 O LEU A 40 12.124 -5.267 -10.833 1.00 50.12 O ATOM 602 CB LEU A 40 12.052 -8.466 -11.214 1.00 2.51 C ATOM 603 CG LEU A 40 10.816 -9.291 -11.571 1.00 35.15 C ATOM 604 CD1 LEU A 40 9.547 -8.495 -11.304 1.00 63.21 C ATOM 605 CD2 LEU A 40 10.873 -9.736 -13.025 1.00 35.14 C ATOM 0 H LEU A 40 13.628 -8.630 -13.100 1.00 2.05 H new ATOM 0 HA LEU A 40 11.432 -6.961 -12.618 1.00 14.24 H new ATOM 0 HB2 LEU A 40 12.918 -9.128 -11.214 1.00 2.51 H new ATOM 0 HB3 LEU A 40 11.935 -8.095 -10.196 1.00 2.51 H new ATOM 0 HG LEU A 40 10.802 -10.180 -10.940 1.00 35.15 H new ATOM 0 HD11 LEU A 40 8.677 -9.099 -11.564 1.00 63.21 H new ATOM 0 HD12 LEU A 40 9.501 -8.228 -10.248 1.00 63.21 H new ATOM 0 HD13 LEU A 40 9.553 -7.588 -11.908 1.00 63.21 H new ATOM 0 HD21 LEU A 40 9.985 -10.322 -13.261 1.00 35.14 H new ATOM 0 HD22 LEU A 40 10.912 -8.860 -13.672 1.00 35.14 H new ATOM 0 HD23 LEU A 40 11.763 -10.345 -13.184 1.00 35.14 H new ATOM 617 N LYS A 41 14.205 -6.065 -11.138 1.00 50.45 N ATOM 618 CA LYS A 41 14.844 -4.999 -10.376 1.00 22.04 C ATOM 619 C LYS A 41 14.514 -3.633 -10.968 1.00 1.43 C ATOM 620 O LYS A 41 14.243 -2.677 -10.239 1.00 62.33 O ATOM 621 CB LYS A 41 16.361 -5.202 -10.349 1.00 33.24 C ATOM 622 CG LYS A 41 16.846 -6.006 -9.155 1.00 34.14 C ATOM 623 CD LYS A 41 17.159 -5.109 -7.969 1.00 21.33 C ATOM 624 CE LYS A 41 18.561 -4.528 -8.065 1.00 42.42 C ATOM 625 NZ LYS A 41 18.862 -3.614 -6.928 1.00 60.03 N ATOM 0 H LYS A 41 14.851 -6.756 -11.520 1.00 50.45 H new ATOM 0 HA LYS A 41 14.460 -5.035 -9.356 1.00 22.04 H new ATOM 0 HB2 LYS A 41 16.668 -5.707 -11.265 1.00 33.24 H new ATOM 0 HB3 LYS A 41 16.849 -4.228 -10.343 1.00 33.24 H new ATOM 0 HG2 LYS A 41 16.085 -6.733 -8.872 1.00 34.14 H new ATOM 0 HG3 LYS A 41 17.737 -6.569 -9.432 1.00 34.14 H new ATOM 0 HD2 LYS A 41 16.431 -4.299 -7.922 1.00 21.33 H new ATOM 0 HD3 LYS A 41 17.063 -5.679 -7.045 1.00 21.33 H new ATOM 0 HE2 LYS A 41 19.290 -5.339 -8.082 1.00 42.42 H new ATOM 0 HE3 LYS A 41 18.666 -3.985 -9.005 1.00 42.42 H new ATOM 0 HZ1 LYS A 41 19.827 -3.239 -7.030 1.00 60.03 H new ATOM 0 HZ2 LYS A 41 18.183 -2.827 -6.926 1.00 60.03 H new ATOM 0 HZ3 LYS A 41 18.787 -4.138 -6.033 1.00 60.03 H new ATOM 639 N THR A 42 14.537 -3.546 -12.294 1.00 62.12 N ATOM 640 CA THR A 42 14.240 -2.297 -12.984 1.00 23.11 C ATOM 641 C THR A 42 12.742 -2.014 -12.989 1.00 23.32 C ATOM 642 O THR A 42 12.318 -0.864 -12.885 1.00 2.22 O ATOM 643 CB THR A 42 14.751 -2.322 -14.437 1.00 21.41 C ATOM 644 OG1 THR A 42 14.129 -3.393 -15.156 1.00 41.02 O ATOM 645 CG2 THR A 42 16.263 -2.489 -14.476 1.00 73.22 C ATOM 0 H THR A 42 14.758 -4.327 -12.912 1.00 62.12 H new ATOM 0 HA THR A 42 14.755 -1.505 -12.439 1.00 23.11 H new ATOM 0 HB THR A 42 14.494 -1.372 -14.906 1.00 21.41 H new ATOM 0 HG1 THR A 42 13.706 -4.010 -14.523 1.00 41.02 H new ATOM 0 HG21 THR A 42 16.601 -2.504 -15.512 1.00 73.22 H new ATOM 0 HG22 THR A 42 16.735 -1.657 -13.953 1.00 73.22 H new ATOM 0 HG23 THR A 42 16.538 -3.426 -13.991 1.00 73.22 H new ATOM 653 N MET A 43 11.946 -3.071 -13.110 1.00 32.33 N ATOM 654 CA MET A 43 10.494 -2.936 -13.126 1.00 11.40 C ATOM 655 C MET A 43 9.983 -2.397 -11.793 1.00 42.24 C ATOM 656 O MET A 43 9.145 -1.497 -11.758 1.00 31.14 O ATOM 657 CB MET A 43 9.838 -4.284 -13.429 1.00 54.13 C ATOM 658 CG MET A 43 9.980 -4.716 -14.880 1.00 20.44 C ATOM 659 SD MET A 43 9.485 -6.430 -15.145 1.00 44.11 S ATOM 660 CE MET A 43 9.623 -6.550 -16.927 1.00 10.31 C ATOM 0 H MET A 43 12.282 -4.030 -13.198 1.00 32.33 H new ATOM 0 HA MET A 43 10.229 -2.227 -13.910 1.00 11.40 H new ATOM 0 HB2 MET A 43 10.279 -5.046 -12.787 1.00 54.13 H new ATOM 0 HB3 MET A 43 8.779 -4.228 -13.177 1.00 54.13 H new ATOM 0 HG2 MET A 43 9.374 -4.065 -15.510 1.00 20.44 H new ATOM 0 HG3 MET A 43 11.016 -4.588 -15.194 1.00 20.44 H new ATOM 0 HE1 MET A 43 9.091 -7.435 -17.274 1.00 10.31 H new ATOM 0 HE2 MET A 43 9.189 -5.662 -17.386 1.00 10.31 H new ATOM 0 HE3 MET A 43 10.674 -6.626 -17.206 1.00 10.31 H new ATOM 670 N ASN A 44 10.494 -2.953 -10.700 1.00 63.51 N ATOM 671 CA ASN A 44 10.089 -2.529 -9.365 1.00 53.21 C ATOM 672 C ASN A 44 10.320 -1.033 -9.176 1.00 45.34 C ATOM 673 O ASN A 44 9.424 -0.304 -8.752 1.00 21.11 O ATOM 674 CB ASN A 44 10.859 -3.314 -8.302 1.00 1.25 C ATOM 675 CG ASN A 44 10.710 -2.712 -6.918 1.00 11.04 C ATOM 676 OD1 ASN A 44 11.688 -2.563 -6.184 1.00 73.35 O ATOM 677 ND2 ASN A 44 9.481 -2.363 -6.554 1.00 4.32 N ATOM 0 H ASN A 44 11.190 -3.699 -10.712 1.00 63.51 H new ATOM 0 HA ASN A 44 9.024 -2.731 -9.255 1.00 53.21 H new ATOM 0 HB2 ASN A 44 10.504 -4.345 -8.287 1.00 1.25 H new ATOM 0 HB3 ASN A 44 11.915 -3.344 -8.570 1.00 1.25 H new ATOM 0 HD21 ASN A 44 9.319 -1.953 -5.634 1.00 4.32 H new ATOM 0 HD22 ASN A 44 8.700 -2.505 -7.194 1.00 4.32 H new ATOM 684 N ALA A 45 11.529 -0.582 -9.495 1.00 43.14 N ATOM 685 CA ALA A 45 11.878 0.827 -9.364 1.00 4.23 C ATOM 686 C ALA A 45 11.168 1.669 -10.418 1.00 45.52 C ATOM 687 O ALA A 45 10.918 2.857 -10.212 1.00 72.53 O ATOM 688 CB ALA A 45 13.385 1.009 -9.467 1.00 4.43 C ATOM 0 H ALA A 45 12.283 -1.172 -9.846 1.00 43.14 H new ATOM 0 HA ALA A 45 11.548 1.168 -8.383 1.00 4.23 H new ATOM 0 HB1 ALA A 45 13.631 2.066 -9.367 1.00 4.43 H new ATOM 0 HB2 ALA A 45 13.875 0.446 -8.672 1.00 4.43 H new ATOM 0 HB3 ALA A 45 13.730 0.646 -10.435 1.00 4.43 H new ATOM 694 N ALA A 46 10.848 1.048 -11.548 1.00 72.40 N ATOM 695 CA ALA A 46 10.166 1.740 -12.634 1.00 54.21 C ATOM 696 C ALA A 46 8.830 2.311 -12.168 1.00 64.13 C ATOM 697 O ALA A 46 8.528 3.482 -12.403 1.00 61.31 O ATOM 698 CB ALA A 46 9.958 0.799 -13.812 1.00 13.53 C ATOM 0 H ALA A 46 11.050 0.066 -11.735 1.00 72.40 H new ATOM 0 HA ALA A 46 10.795 2.571 -12.954 1.00 54.21 H new ATOM 0 HB1 ALA A 46 9.447 1.330 -14.616 1.00 13.53 H new ATOM 0 HB2 ALA A 46 10.925 0.443 -14.169 1.00 13.53 H new ATOM 0 HB3 ALA A 46 9.353 -0.051 -13.496 1.00 13.53 H new ATOM 704 N LEU A 47 8.034 1.477 -11.508 1.00 42.30 N ATOM 705 CA LEU A 47 6.730 1.899 -11.009 1.00 73.14 C ATOM 706 C LEU A 47 6.853 3.161 -10.162 1.00 54.42 C ATOM 707 O LEU A 47 5.922 3.964 -10.088 1.00 35.31 O ATOM 708 CB LEU A 47 6.090 0.779 -10.187 1.00 0.24 C ATOM 709 CG LEU A 47 6.565 0.655 -8.739 1.00 23.34 C ATOM 710 CD1 LEU A 47 5.670 1.462 -7.812 1.00 34.44 C ATOM 711 CD2 LEU A 47 6.600 -0.806 -8.312 1.00 53.33 C ATOM 0 H LEU A 47 8.269 0.505 -11.306 1.00 42.30 H new ATOM 0 HA LEU A 47 6.095 2.120 -11.867 1.00 73.14 H new ATOM 0 HB2 LEU A 47 5.010 0.930 -10.183 1.00 0.24 H new ATOM 0 HB3 LEU A 47 6.278 -0.168 -10.692 1.00 0.24 H new ATOM 0 HG LEU A 47 7.576 1.056 -8.673 1.00 23.34 H new ATOM 0 HD11 LEU A 47 6.024 1.361 -6.786 1.00 34.44 H new ATOM 0 HD12 LEU A 47 5.697 2.512 -8.104 1.00 34.44 H new ATOM 0 HD13 LEU A 47 4.647 1.092 -7.881 1.00 34.44 H new ATOM 0 HD21 LEU A 47 6.940 -0.875 -7.279 1.00 53.33 H new ATOM 0 HD22 LEU A 47 5.601 -1.233 -8.394 1.00 53.33 H new ATOM 0 HD23 LEU A 47 7.284 -1.357 -8.957 1.00 53.33 H new ATOM 723 N ILE A 48 8.007 3.332 -9.527 1.00 64.54 N ATOM 724 CA ILE A 48 8.253 4.498 -8.689 1.00 12.14 C ATOM 725 C ILE A 48 8.454 5.751 -9.535 1.00 24.35 C ATOM 726 O ILE A 48 7.818 6.779 -9.303 1.00 71.01 O ATOM 727 CB ILE A 48 9.487 4.295 -7.789 1.00 53.45 C ATOM 728 CG1 ILE A 48 9.327 3.030 -6.945 1.00 31.33 C ATOM 729 CG2 ILE A 48 9.698 5.510 -6.898 1.00 40.35 C ATOM 730 CD1 ILE A 48 10.604 2.594 -6.262 1.00 23.30 C ATOM 0 H ILE A 48 8.787 2.677 -9.577 1.00 64.54 H new ATOM 0 HA ILE A 48 7.372 4.626 -8.060 1.00 12.14 H new ATOM 0 HB ILE A 48 10.366 4.177 -8.423 1.00 53.45 H new ATOM 0 HG12 ILE A 48 8.561 3.202 -6.189 1.00 31.33 H new ATOM 0 HG13 ILE A 48 8.971 2.221 -7.582 1.00 31.33 H new ATOM 0 HG21 ILE A 48 10.573 5.352 -6.268 1.00 40.35 H new ATOM 0 HG22 ILE A 48 9.852 6.393 -7.518 1.00 40.35 H new ATOM 0 HG23 ILE A 48 8.820 5.657 -6.269 1.00 40.35 H new ATOM 0 HD11 ILE A 48 10.416 1.691 -5.681 1.00 23.30 H new ATOM 0 HD12 ILE A 48 11.367 2.390 -7.013 1.00 23.30 H new ATOM 0 HD13 ILE A 48 10.951 3.386 -5.599 1.00 23.30 H new ATOM 742 N LYS A 49 9.343 5.657 -10.518 1.00 3.33 N ATOM 743 CA LYS A 49 9.628 6.781 -11.402 1.00 11.21 C ATOM 744 C LYS A 49 8.414 7.118 -12.262 1.00 61.53 C ATOM 745 O LYS A 49 7.988 8.271 -12.327 1.00 45.24 O ATOM 746 CB LYS A 49 10.828 6.462 -12.296 1.00 73.15 C ATOM 747 CG LYS A 49 12.163 6.550 -11.578 1.00 11.32 C ATOM 748 CD LYS A 49 12.533 5.229 -10.925 1.00 3.32 C ATOM 749 CE LYS A 49 14.042 5.049 -10.848 1.00 13.35 C ATOM 750 NZ LYS A 49 14.605 4.532 -12.126 1.00 12.54 N ATOM 0 H LYS A 49 9.879 4.814 -10.723 1.00 3.33 H new ATOM 0 HA LYS A 49 9.864 7.647 -10.783 1.00 11.21 H new ATOM 0 HB2 LYS A 49 10.710 5.458 -12.703 1.00 73.15 H new ATOM 0 HB3 LYS A 49 10.834 7.150 -13.141 1.00 73.15 H new ATOM 0 HG2 LYS A 49 12.940 6.837 -12.287 1.00 11.32 H new ATOM 0 HG3 LYS A 49 12.119 7.332 -10.820 1.00 11.32 H new ATOM 0 HD2 LYS A 49 12.109 5.186 -9.922 1.00 3.32 H new ATOM 0 HD3 LYS A 49 12.096 4.407 -11.491 1.00 3.32 H new ATOM 0 HE2 LYS A 49 14.510 6.003 -10.605 1.00 13.35 H new ATOM 0 HE3 LYS A 49 14.285 4.360 -10.039 1.00 13.35 H new ATOM 0 HZ1 LYS A 49 15.635 4.423 -12.033 1.00 12.54 H new ATOM 0 HZ2 LYS A 49 14.178 3.610 -12.346 1.00 12.54 H new ATOM 0 HZ3 LYS A 49 14.396 5.202 -12.894 1.00 12.54 H new ATOM 764 N ILE A 50 7.861 6.104 -12.919 1.00 70.41 N ATOM 765 CA ILE A 50 6.695 6.292 -13.773 1.00 12.51 C ATOM 766 C ILE A 50 5.450 6.590 -12.945 1.00 14.44 C ATOM 767 O ILE A 50 4.501 7.206 -13.429 1.00 43.24 O ATOM 768 CB ILE A 50 6.431 5.053 -14.648 1.00 30.11 C ATOM 769 CG1 ILE A 50 6.004 3.869 -13.778 1.00 22.22 C ATOM 770 CG2 ILE A 50 7.670 4.703 -15.458 1.00 25.44 C ATOM 771 CD1 ILE A 50 4.518 3.591 -13.822 1.00 11.53 C ATOM 0 H ILE A 50 8.202 5.144 -12.876 1.00 70.41 H new ATOM 0 HA ILE A 50 6.912 7.143 -14.419 1.00 12.51 H new ATOM 0 HB ILE A 50 5.621 5.281 -15.341 1.00 30.11 H new ATOM 0 HG12 ILE A 50 6.542 2.978 -14.102 1.00 22.22 H new ATOM 0 HG13 ILE A 50 6.299 4.062 -12.746 1.00 22.22 H new ATOM 0 HG21 ILE A 50 7.468 3.825 -16.071 1.00 25.44 H new ATOM 0 HG22 ILE A 50 7.933 5.542 -16.102 1.00 25.44 H new ATOM 0 HG23 ILE A 50 8.498 4.490 -14.782 1.00 25.44 H new ATOM 0 HD11 ILE A 50 4.288 2.739 -13.182 1.00 11.53 H new ATOM 0 HD12 ILE A 50 3.973 4.467 -13.470 1.00 11.53 H new ATOM 0 HD13 ILE A 50 4.220 3.366 -14.846 1.00 11.53 H new ATOM 783 N GLY A 51 5.460 6.150 -11.690 1.00 24.00 N ATOM 784 CA GLY A 51 4.327 6.380 -10.813 1.00 43.40 C ATOM 785 C GLY A 51 4.358 7.755 -10.175 1.00 24.13 C ATOM 786 O GLY A 51 3.338 8.245 -9.694 1.00 15.53 O ATOM 0 H GLY A 51 6.233 5.638 -11.265 1.00 24.00 H new ATOM 0 HA2 GLY A 51 3.403 6.267 -11.380 1.00 43.40 H new ATOM 0 HA3 GLY A 51 4.316 5.620 -10.031 1.00 43.40 H new ATOM 790 N GLU A 52 5.533 8.377 -10.169 1.00 24.32 N ATOM 791 CA GLU A 52 5.693 9.702 -9.582 1.00 14.02 C ATOM 792 C GLU A 52 4.871 10.737 -10.345 1.00 12.24 C ATOM 793 O GLU A 52 4.406 11.723 -9.771 1.00 64.42 O ATOM 794 CB GLU A 52 7.168 10.108 -9.577 1.00 52.35 C ATOM 795 CG GLU A 52 7.505 11.166 -8.540 1.00 32.45 C ATOM 796 CD GLU A 52 7.319 12.577 -9.062 1.00 74.34 C ATOM 797 OE1 GLU A 52 8.200 13.054 -9.808 1.00 31.50 O ATOM 798 OE2 GLU A 52 6.293 13.204 -8.726 1.00 53.03 O ATOM 0 H GLU A 52 6.388 7.985 -10.564 1.00 24.32 H new ATOM 0 HA GLU A 52 5.332 9.662 -8.554 1.00 14.02 H new ATOM 0 HB2 GLU A 52 7.779 9.224 -9.393 1.00 52.35 H new ATOM 0 HB3 GLU A 52 7.437 10.481 -10.565 1.00 52.35 H new ATOM 0 HG2 GLU A 52 6.875 11.022 -7.662 1.00 32.45 H new ATOM 0 HG3 GLU A 52 8.538 11.036 -8.216 1.00 32.45 H new ATOM 805 N VAL A 53 4.696 10.506 -11.642 1.00 10.21 N ATOM 806 CA VAL A 53 3.930 11.417 -12.484 1.00 43.32 C ATOM 807 C VAL A 53 2.532 11.643 -11.920 1.00 42.40 C ATOM 808 O VAL A 53 1.970 10.794 -11.228 1.00 2.30 O ATOM 809 CB VAL A 53 3.811 10.884 -13.924 1.00 72.22 C ATOM 810 CG1 VAL A 53 5.189 10.637 -14.519 1.00 1.44 C ATOM 811 CG2 VAL A 53 2.974 9.614 -13.954 1.00 33.14 C ATOM 0 H VAL A 53 5.074 9.696 -12.133 1.00 10.21 H new ATOM 0 HA VAL A 53 4.470 12.364 -12.498 1.00 43.32 H new ATOM 0 HB VAL A 53 3.310 11.638 -14.531 1.00 72.22 H new ATOM 0 HG11 VAL A 53 5.084 10.261 -15.537 1.00 1.44 H new ATOM 0 HG12 VAL A 53 5.752 11.570 -14.534 1.00 1.44 H new ATOM 0 HG13 VAL A 53 5.720 9.903 -13.914 1.00 1.44 H new ATOM 0 HG21 VAL A 53 2.900 9.251 -14.979 1.00 33.14 H new ATOM 0 HG22 VAL A 53 3.446 8.853 -13.333 1.00 33.14 H new ATOM 0 HG23 VAL A 53 1.976 9.827 -13.572 1.00 33.14 H new ATOM 821 N PRO A 54 1.955 12.816 -12.222 1.00 30.12 N ATOM 822 CA PRO A 54 0.614 13.181 -11.756 1.00 0.34 C ATOM 823 C PRO A 54 -0.478 12.358 -12.430 1.00 14.32 C ATOM 824 O PRO A 54 -0.242 11.656 -13.413 1.00 54.12 O ATOM 825 CB PRO A 54 0.492 14.656 -12.148 1.00 33.11 C ATOM 826 CG PRO A 54 1.426 14.821 -13.297 1.00 12.05 C ATOM 827 CD PRO A 54 2.567 13.875 -13.042 1.00 14.11 C ATOM 0 HA PRO A 54 0.489 12.998 -10.689 1.00 0.34 H new ATOM 0 HB2 PRO A 54 -0.530 14.908 -12.430 1.00 33.11 H new ATOM 0 HB3 PRO A 54 0.764 15.310 -11.319 1.00 33.11 H new ATOM 0 HG2 PRO A 54 0.930 14.589 -14.240 1.00 12.05 H new ATOM 0 HG3 PRO A 54 1.780 15.849 -13.368 1.00 12.05 H new ATOM 0 HD2 PRO A 54 2.975 13.478 -13.971 1.00 14.11 H new ATOM 0 HD3 PRO A 54 3.387 14.366 -12.518 1.00 14.11 H new ATOM 835 N PRO A 55 -1.704 12.445 -11.891 1.00 44.30 N ATOM 836 CA PRO A 55 -2.857 11.716 -12.426 1.00 31.32 C ATOM 837 C PRO A 55 -3.307 12.255 -13.779 1.00 73.13 C ATOM 838 O PRO A 55 -4.158 11.661 -14.443 1.00 3.42 O ATOM 839 CB PRO A 55 -3.942 11.946 -11.371 1.00 33.51 C ATOM 840 CG PRO A 55 -3.560 13.223 -10.707 1.00 14.22 C ATOM 841 CD PRO A 55 -2.057 13.263 -10.718 1.00 73.15 C ATOM 0 HA PRO A 55 -2.629 10.665 -12.601 1.00 31.32 H new ATOM 0 HB2 PRO A 55 -4.929 12.017 -11.827 1.00 33.51 H new ATOM 0 HB3 PRO A 55 -3.980 11.124 -10.656 1.00 33.51 H new ATOM 0 HG2 PRO A 55 -3.977 14.079 -11.238 1.00 14.22 H new ATOM 0 HG3 PRO A 55 -3.944 13.263 -9.688 1.00 14.22 H new ATOM 0 HD2 PRO A 55 -1.683 14.282 -10.811 1.00 73.15 H new ATOM 0 HD3 PRO A 55 -1.637 12.852 -9.800 1.00 73.15 H new ATOM 849 N ASP A 56 -2.732 13.382 -14.183 1.00 65.10 N ATOM 850 CA ASP A 56 -3.073 14.000 -15.459 1.00 4.31 C ATOM 851 C ASP A 56 -2.547 13.168 -16.624 1.00 62.21 C ATOM 852 O ASP A 56 -3.088 13.218 -17.728 1.00 72.41 O ATOM 853 CB ASP A 56 -2.503 15.418 -15.531 1.00 55.11 C ATOM 854 CG ASP A 56 -3.436 16.381 -16.240 1.00 21.13 C ATOM 855 OD1 ASP A 56 -4.326 16.946 -15.571 1.00 34.25 O ATOM 856 OD2 ASP A 56 -3.274 16.570 -17.463 1.00 55.13 O ATOM 0 H ASP A 56 -2.027 13.887 -13.645 1.00 65.10 H new ATOM 0 HA ASP A 56 -4.159 14.049 -15.532 1.00 4.31 H new ATOM 0 HB2 ASP A 56 -2.310 15.781 -14.521 1.00 55.11 H new ATOM 0 HB3 ASP A 56 -1.545 15.396 -16.051 1.00 55.11 H new ATOM 861 N GLN A 57 -1.489 12.405 -16.370 1.00 24.14 N ATOM 862 CA GLN A 57 -0.889 11.563 -17.398 1.00 51.44 C ATOM 863 C GLN A 57 -1.312 10.108 -17.226 1.00 4.21 C ATOM 864 O GLN A 57 -1.339 9.340 -18.189 1.00 13.33 O ATOM 865 CB GLN A 57 0.636 11.673 -17.352 1.00 30.01 C ATOM 866 CG GLN A 57 1.140 13.102 -17.231 1.00 12.11 C ATOM 867 CD GLN A 57 2.459 13.318 -17.945 1.00 44.11 C ATOM 868 OE1 GLN A 57 3.135 12.362 -18.328 1.00 2.53 O ATOM 869 NE2 GLN A 57 2.834 14.579 -18.129 1.00 71.21 N ATOM 0 H GLN A 57 -1.029 12.353 -15.461 1.00 24.14 H new ATOM 0 HA GLN A 57 -1.242 11.912 -18.369 1.00 51.44 H new ATOM 0 HB2 GLN A 57 1.008 11.093 -16.508 1.00 30.01 H new ATOM 0 HB3 GLN A 57 1.052 11.225 -18.255 1.00 30.01 H new ATOM 0 HG2 GLN A 57 0.394 13.782 -17.641 1.00 12.11 H new ATOM 0 HG3 GLN A 57 1.256 13.354 -16.177 1.00 12.11 H new ATOM 0 HE21 GLN A 57 2.243 15.341 -17.795 1.00 71.21 H new ATOM 0 HE22 GLN A 57 3.713 14.786 -18.604 1.00 71.21 H new ATOM 878 N LEU A 58 -1.640 9.735 -15.994 1.00 23.20 N ATOM 879 CA LEU A 58 -2.061 8.371 -15.695 1.00 21.54 C ATOM 880 C LEU A 58 -3.215 7.946 -16.598 1.00 3.44 C ATOM 881 O LEU A 58 -4.313 8.498 -16.519 1.00 64.22 O ATOM 882 CB LEU A 58 -2.478 8.255 -14.227 1.00 65.23 C ATOM 883 CG LEU A 58 -2.259 6.890 -13.573 1.00 74.03 C ATOM 884 CD1 LEU A 58 -3.044 5.814 -14.308 1.00 52.41 C ATOM 885 CD2 LEU A 58 -0.778 6.544 -13.542 1.00 42.31 C ATOM 0 H LEU A 58 -1.623 10.358 -15.186 1.00 23.20 H new ATOM 0 HA LEU A 58 -1.216 7.708 -15.880 1.00 21.54 H new ATOM 0 HB2 LEU A 58 -1.929 9.002 -13.654 1.00 65.23 H new ATOM 0 HB3 LEU A 58 -3.536 8.507 -14.149 1.00 65.23 H new ATOM 0 HG LEU A 58 -2.622 6.939 -12.546 1.00 74.03 H new ATOM 0 HD11 LEU A 58 -2.876 4.850 -13.829 1.00 52.41 H new ATOM 0 HD12 LEU A 58 -4.107 6.054 -14.278 1.00 52.41 H new ATOM 0 HD13 LEU A 58 -2.712 5.766 -15.345 1.00 52.41 H new ATOM 0 HD21 LEU A 58 -0.642 5.569 -13.073 1.00 42.31 H new ATOM 0 HD22 LEU A 58 -0.390 6.514 -14.560 1.00 42.31 H new ATOM 0 HD23 LEU A 58 -0.240 7.300 -12.970 1.00 42.31 H new ATOM 897 N ASP A 59 -2.959 6.962 -17.453 1.00 1.53 N ATOM 898 CA ASP A 59 -3.977 6.461 -18.369 1.00 10.53 C ATOM 899 C ASP A 59 -4.326 5.010 -18.052 1.00 41.54 C ATOM 900 O ASP A 59 -3.626 4.346 -17.288 1.00 73.12 O ATOM 901 CB ASP A 59 -3.495 6.579 -19.815 1.00 44.43 C ATOM 902 CG ASP A 59 -2.318 5.670 -20.109 1.00 4.10 C ATOM 903 OD1 ASP A 59 -1.661 5.220 -19.147 1.00 25.12 O ATOM 904 OD2 ASP A 59 -2.054 5.408 -21.301 1.00 21.11 O ATOM 0 H ASP A 59 -2.055 6.496 -17.531 1.00 1.53 H new ATOM 0 HA ASP A 59 -4.874 7.067 -18.243 1.00 10.53 H new ATOM 0 HB2 ASP A 59 -4.316 6.335 -20.490 1.00 44.43 H new ATOM 0 HB3 ASP A 59 -3.212 7.612 -20.017 1.00 44.43 H new ATOM 909 N SER A 60 -5.413 4.526 -18.645 1.00 23.23 N ATOM 910 CA SER A 60 -5.857 3.155 -18.422 1.00 74.03 C ATOM 911 C SER A 60 -4.751 2.162 -18.768 1.00 15.35 C ATOM 912 O SER A 60 -4.598 1.135 -18.108 1.00 21.21 O ATOM 913 CB SER A 60 -7.104 2.859 -19.259 1.00 24.32 C ATOM 914 OG SER A 60 -7.731 1.662 -18.833 1.00 32.34 O ATOM 0 H SER A 60 -6.002 5.062 -19.283 1.00 23.23 H new ATOM 0 HA SER A 60 -6.102 3.045 -17.365 1.00 74.03 H new ATOM 0 HB2 SER A 60 -7.806 3.689 -19.179 1.00 24.32 H new ATOM 0 HB3 SER A 60 -6.829 2.775 -20.310 1.00 24.32 H new ATOM 0 HG SER A 60 -8.526 1.496 -19.382 1.00 32.34 H new ATOM 920 N GLN A 61 -3.984 2.478 -19.806 1.00 14.20 N ATOM 921 CA GLN A 61 -2.893 1.614 -20.240 1.00 11.12 C ATOM 922 C GLN A 61 -1.931 1.333 -19.090 1.00 51.21 C ATOM 923 O GLN A 61 -1.373 0.241 -18.988 1.00 32.45 O ATOM 924 CB GLN A 61 -2.139 2.256 -21.406 1.00 73.41 C ATOM 925 CG GLN A 61 -1.440 1.249 -22.306 1.00 0.24 C ATOM 926 CD GLN A 61 -0.308 1.867 -23.103 1.00 31.21 C ATOM 927 OE1 GLN A 61 -0.481 2.235 -24.265 1.00 61.02 O ATOM 928 NE2 GLN A 61 0.859 1.984 -22.481 1.00 63.11 N ATOM 0 H GLN A 61 -4.098 3.326 -20.362 1.00 14.20 H new ATOM 0 HA GLN A 61 -3.322 0.668 -20.571 1.00 11.12 H new ATOM 0 HB2 GLN A 61 -2.839 2.840 -22.003 1.00 73.41 H new ATOM 0 HB3 GLN A 61 -1.399 2.952 -21.010 1.00 73.41 H new ATOM 0 HG2 GLN A 61 -1.048 0.434 -21.698 1.00 0.24 H new ATOM 0 HG3 GLN A 61 -2.167 0.814 -22.992 1.00 0.24 H new ATOM 0 HE21 GLN A 61 0.957 1.666 -21.517 1.00 63.11 H new ATOM 0 HE22 GLN A 61 1.657 2.392 -22.967 1.00 63.11 H new ATOM 937 N ASP A 62 -1.742 2.326 -18.228 1.00 45.02 N ATOM 938 CA ASP A 62 -0.847 2.186 -17.085 1.00 32.31 C ATOM 939 C ASP A 62 -1.324 1.074 -16.155 1.00 52.31 C ATOM 940 O ASP A 62 -0.520 0.316 -15.613 1.00 32.15 O ATOM 941 CB ASP A 62 -0.755 3.505 -16.317 1.00 52.32 C ATOM 942 CG ASP A 62 0.063 3.381 -15.047 1.00 63.52 C ATOM 943 OD1 ASP A 62 -0.476 2.873 -14.042 1.00 62.30 O ATOM 944 OD2 ASP A 62 1.243 3.791 -15.058 1.00 52.43 O ATOM 0 H ASP A 62 -2.196 3.236 -18.299 1.00 45.02 H new ATOM 0 HA ASP A 62 0.142 1.923 -17.460 1.00 32.31 H new ATOM 0 HB2 ASP A 62 -0.310 4.265 -16.959 1.00 52.32 H new ATOM 0 HB3 ASP A 62 -1.759 3.847 -16.067 1.00 52.32 H new ATOM 949 N LYS A 63 -2.637 0.984 -15.975 1.00 34.15 N ATOM 950 CA LYS A 63 -3.223 -0.034 -15.111 1.00 32.33 C ATOM 951 C LYS A 63 -2.947 -1.433 -15.653 1.00 42.24 C ATOM 952 O LYS A 63 -2.581 -2.340 -14.904 1.00 52.41 O ATOM 953 CB LYS A 63 -4.732 0.185 -14.980 1.00 72.34 C ATOM 954 CG LYS A 63 -5.109 1.206 -13.921 1.00 73.12 C ATOM 955 CD LYS A 63 -6.431 1.883 -14.245 1.00 22.55 C ATOM 956 CE LYS A 63 -7.149 2.336 -12.982 1.00 65.43 C ATOM 957 NZ LYS A 63 -7.989 1.251 -12.402 1.00 45.33 N ATOM 0 H LYS A 63 -3.316 1.604 -16.416 1.00 34.15 H new ATOM 0 HA LYS A 63 -2.763 0.053 -14.127 1.00 32.33 H new ATOM 0 HB2 LYS A 63 -5.128 0.509 -15.942 1.00 72.34 H new ATOM 0 HB3 LYS A 63 -5.209 -0.766 -14.742 1.00 72.34 H new ATOM 0 HG2 LYS A 63 -5.179 0.716 -12.950 1.00 73.12 H new ATOM 0 HG3 LYS A 63 -4.324 1.958 -13.843 1.00 73.12 H new ATOM 0 HD2 LYS A 63 -6.252 2.742 -14.891 1.00 22.55 H new ATOM 0 HD3 LYS A 63 -7.068 1.194 -14.800 1.00 22.55 H new ATOM 0 HE2 LYS A 63 -6.416 2.661 -12.244 1.00 65.43 H new ATOM 0 HE3 LYS A 63 -7.776 3.198 -13.210 1.00 65.43 H new ATOM 0 HZ1 LYS A 63 -8.461 1.599 -11.543 1.00 45.33 H new ATOM 0 HZ2 LYS A 63 -8.705 0.958 -13.097 1.00 45.33 H new ATOM 0 HZ3 LYS A 63 -7.387 0.438 -12.161 1.00 45.33 H new ATOM 971 N LEU A 64 -3.122 -1.601 -16.959 1.00 52.14 N ATOM 972 CA LEU A 64 -2.890 -2.889 -17.603 1.00 21.30 C ATOM 973 C LEU A 64 -1.403 -3.231 -17.618 1.00 14.44 C ATOM 974 O LEU A 64 -1.019 -4.384 -17.423 1.00 55.03 O ATOM 975 CB LEU A 64 -3.435 -2.873 -19.032 1.00 73.51 C ATOM 976 CG LEU A 64 -4.916 -3.223 -19.189 1.00 65.15 C ATOM 977 CD1 LEU A 64 -5.185 -4.638 -18.701 1.00 43.11 C ATOM 978 CD2 LEU A 64 -5.782 -2.223 -18.438 1.00 35.41 C ATOM 0 H LEU A 64 -3.424 -0.861 -17.593 1.00 52.14 H new ATOM 0 HA LEU A 64 -3.414 -3.653 -17.029 1.00 21.30 H new ATOM 0 HB2 LEU A 64 -3.270 -1.881 -19.451 1.00 73.51 H new ATOM 0 HB3 LEU A 64 -2.851 -3.573 -19.630 1.00 73.51 H new ATOM 0 HG LEU A 64 -5.172 -3.172 -20.247 1.00 65.15 H new ATOM 0 HD11 LEU A 64 -6.244 -4.869 -18.820 1.00 43.11 H new ATOM 0 HD12 LEU A 64 -4.592 -5.343 -19.284 1.00 43.11 H new ATOM 0 HD13 LEU A 64 -4.913 -4.718 -17.649 1.00 43.11 H new ATOM 0 HD21 LEU A 64 -6.832 -2.487 -18.561 1.00 35.41 H new ATOM 0 HD22 LEU A 64 -5.524 -2.242 -17.379 1.00 35.41 H new ATOM 0 HD23 LEU A 64 -5.611 -1.223 -18.836 1.00 35.41 H new ATOM 990 N TRP A 65 -0.572 -2.221 -17.847 1.00 53.50 N ATOM 991 CA TRP A 65 0.873 -2.414 -17.885 1.00 11.45 C ATOM 992 C TRP A 65 1.403 -2.821 -16.515 1.00 24.45 C ATOM 993 O TRP A 65 2.241 -3.716 -16.404 1.00 71.35 O ATOM 994 CB TRP A 65 1.567 -1.134 -18.354 1.00 0.24 C ATOM 995 CG TRP A 65 3.063 -1.224 -18.322 1.00 52.34 C ATOM 996 CD1 TRP A 65 3.833 -2.241 -18.809 1.00 20.34 C ATOM 997 CD2 TRP A 65 3.968 -0.259 -17.774 1.00 70.34 C ATOM 998 NE1 TRP A 65 5.163 -1.967 -18.596 1.00 34.52 N ATOM 999 CE2 TRP A 65 5.272 -0.757 -17.964 1.00 20.12 C ATOM 1000 CE3 TRP A 65 3.804 0.977 -17.144 1.00 42.11 C ATOM 1001 CZ2 TRP A 65 6.402 -0.061 -17.544 1.00 65.20 C ATOM 1002 CZ3 TRP A 65 4.927 1.666 -16.728 1.00 1.52 C ATOM 1003 CH2 TRP A 65 6.213 1.147 -16.930 1.00 33.23 C ATOM 0 H TRP A 65 -0.874 -1.260 -18.009 1.00 53.50 H new ATOM 0 HA TRP A 65 1.089 -3.216 -18.591 1.00 11.45 H new ATOM 0 HB2 TRP A 65 1.245 -0.906 -19.370 1.00 0.24 H new ATOM 0 HB3 TRP A 65 1.246 -0.304 -17.725 1.00 0.24 H new ATOM 0 HD1 TRP A 65 3.453 -3.130 -19.291 1.00 20.34 H new ATOM 0 HE1 TRP A 65 5.942 -2.568 -18.865 1.00 34.52 H new ATOM 0 HE3 TRP A 65 2.817 1.387 -16.985 1.00 42.11 H new ATOM 0 HZ2 TRP A 65 7.394 -0.461 -17.697 1.00 65.20 H new ATOM 0 HZ3 TRP A 65 4.812 2.622 -16.238 1.00 1.52 H new ATOM 0 HH2 TRP A 65 7.071 1.711 -16.595 1.00 33.23 H new ATOM 1014 N ALA A 66 0.910 -2.160 -15.473 1.00 4.32 N ATOM 1015 CA ALA A 66 1.334 -2.456 -14.110 1.00 13.22 C ATOM 1016 C ALA A 66 0.923 -3.866 -13.701 1.00 73.35 C ATOM 1017 O ALA A 66 1.669 -4.567 -13.017 1.00 52.03 O ATOM 1018 CB ALA A 66 0.753 -1.434 -13.143 1.00 63.12 C ATOM 0 H ALA A 66 0.216 -1.416 -15.547 1.00 4.32 H new ATOM 0 HA ALA A 66 2.422 -2.398 -14.074 1.00 13.22 H new ATOM 0 HB1 ALA A 66 1.078 -1.667 -12.129 1.00 63.12 H new ATOM 0 HB2 ALA A 66 1.100 -0.437 -13.415 1.00 63.12 H new ATOM 0 HB3 ALA A 66 -0.335 -1.465 -13.192 1.00 63.12 H new ATOM 1024 N ASP A 67 -0.268 -4.276 -14.125 1.00 21.35 N ATOM 1025 CA ASP A 67 -0.778 -5.604 -13.803 1.00 31.11 C ATOM 1026 C ASP A 67 0.082 -6.687 -14.446 1.00 24.31 C ATOM 1027 O ASP A 67 0.262 -7.766 -13.882 1.00 5.24 O ATOM 1028 CB ASP A 67 -2.228 -5.743 -14.269 1.00 71.43 C ATOM 1029 CG ASP A 67 -2.739 -7.166 -14.156 1.00 25.41 C ATOM 1030 OD1 ASP A 67 -2.328 -7.871 -13.209 1.00 51.34 O ATOM 1031 OD2 ASP A 67 -3.549 -7.576 -15.013 1.00 10.41 O ATOM 0 H ASP A 67 -0.898 -3.708 -14.692 1.00 21.35 H new ATOM 0 HA ASP A 67 -0.739 -5.729 -12.721 1.00 31.11 H new ATOM 0 HB2 ASP A 67 -2.862 -5.084 -13.675 1.00 71.43 H new ATOM 0 HB3 ASP A 67 -2.307 -5.413 -15.305 1.00 71.43 H new ATOM 1036 N GLU A 68 0.610 -6.392 -15.630 1.00 0.22 N ATOM 1037 CA GLU A 68 1.450 -7.342 -16.350 1.00 12.04 C ATOM 1038 C GLU A 68 2.690 -7.697 -15.535 1.00 65.43 C ATOM 1039 O GLU A 68 3.174 -8.829 -15.581 1.00 41.54 O ATOM 1040 CB GLU A 68 1.864 -6.766 -17.705 1.00 51.32 C ATOM 1041 CG GLU A 68 0.779 -6.862 -18.765 1.00 11.45 C ATOM 1042 CD GLU A 68 1.322 -6.709 -20.172 1.00 4.01 C ATOM 1043 OE1 GLU A 68 1.900 -5.644 -20.473 1.00 42.11 O ATOM 1044 OE2 GLU A 68 1.170 -7.656 -20.972 1.00 13.20 O ATOM 0 H GLU A 68 0.471 -5.503 -16.111 1.00 0.22 H new ATOM 0 HA GLU A 68 0.870 -8.251 -16.512 1.00 12.04 H new ATOM 0 HB2 GLU A 68 2.142 -5.720 -17.576 1.00 51.32 H new ATOM 0 HB3 GLU A 68 2.752 -7.291 -18.057 1.00 51.32 H new ATOM 0 HG2 GLU A 68 0.275 -7.824 -18.677 1.00 11.45 H new ATOM 0 HG3 GLU A 68 0.030 -6.092 -18.583 1.00 11.45 H new ATOM 1051 N VAL A 69 3.201 -6.722 -14.790 1.00 64.31 N ATOM 1052 CA VAL A 69 4.385 -6.931 -13.965 1.00 1.12 C ATOM 1053 C VAL A 69 4.054 -7.760 -12.729 1.00 63.42 C ATOM 1054 O VAL A 69 4.869 -8.562 -12.271 1.00 12.44 O ATOM 1055 CB VAL A 69 5.003 -5.592 -13.520 1.00 54.34 C ATOM 1056 CG1 VAL A 69 6.261 -5.830 -12.699 1.00 74.03 C ATOM 1057 CG2 VAL A 69 5.302 -4.717 -14.728 1.00 41.22 C ATOM 0 H VAL A 69 2.814 -5.780 -14.741 1.00 64.31 H new ATOM 0 HA VAL A 69 5.107 -7.470 -14.579 1.00 1.12 H new ATOM 0 HB VAL A 69 4.282 -5.070 -12.891 1.00 54.34 H new ATOM 0 HG11 VAL A 69 6.683 -4.872 -12.394 1.00 74.03 H new ATOM 0 HG12 VAL A 69 6.012 -6.416 -11.814 1.00 74.03 H new ATOM 0 HG13 VAL A 69 6.990 -6.373 -13.300 1.00 74.03 H new ATOM 0 HG21 VAL A 69 5.738 -3.775 -14.396 1.00 41.22 H new ATOM 0 HG22 VAL A 69 6.004 -5.231 -15.384 1.00 41.22 H new ATOM 0 HG23 VAL A 69 4.378 -4.518 -15.271 1.00 41.22 H new ATOM 1067 N ARG A 70 2.854 -7.563 -12.195 1.00 35.11 N ATOM 1068 CA ARG A 70 2.415 -8.293 -11.011 1.00 53.44 C ATOM 1069 C ARG A 70 2.164 -9.761 -11.340 1.00 72.40 C ATOM 1070 O ARG A 70 2.636 -10.654 -10.637 1.00 3.44 O ATOM 1071 CB ARG A 70 1.143 -7.662 -10.440 1.00 23.40 C ATOM 1072 CG ARG A 70 1.260 -6.166 -10.199 1.00 25.33 C ATOM 1073 CD ARG A 70 0.601 -5.760 -8.890 1.00 51.33 C ATOM 1074 NE ARG A 70 -0.753 -6.293 -8.771 1.00 55.12 N ATOM 1075 CZ ARG A 70 -1.539 -6.076 -7.722 1.00 71.02 C ATOM 1076 NH1 ARG A 70 -1.107 -5.340 -6.707 1.00 74.23 N ATOM 1077 NH2 ARG A 70 -2.760 -6.595 -7.687 1.00 63.43 N ATOM 0 H ARG A 70 2.168 -6.904 -12.563 1.00 35.11 H new ATOM 0 HA ARG A 70 3.207 -8.236 -10.265 1.00 53.44 H new ATOM 0 HB2 ARG A 70 0.316 -7.847 -11.126 1.00 23.40 H new ATOM 0 HB3 ARG A 70 0.894 -8.154 -9.500 1.00 23.40 H new ATOM 0 HG2 ARG A 70 2.312 -5.880 -10.182 1.00 25.33 H new ATOM 0 HG3 ARG A 70 0.796 -5.626 -11.024 1.00 25.33 H new ATOM 0 HD2 ARG A 70 1.205 -6.115 -8.055 1.00 51.33 H new ATOM 0 HD3 ARG A 70 0.570 -4.673 -8.822 1.00 51.33 H new ATOM 0 HE ARG A 70 -1.115 -6.863 -9.535 1.00 55.12 H new ATOM 0 HH11 ARG A 70 -0.169 -4.939 -6.731 1.00 74.23 H new ATOM 0 HH12 ARG A 70 -1.712 -5.175 -5.903 1.00 74.23 H new ATOM 0 HH21 ARG A 70 -3.096 -7.161 -8.466 1.00 63.43 H new ATOM 0 HH22 ARG A 70 -3.362 -6.428 -6.881 1.00 63.43 H new ATOM 1091 N GLU A 71 1.417 -10.003 -12.413 1.00 32.32 N ATOM 1092 CA GLU A 71 1.103 -11.364 -12.833 1.00 15.11 C ATOM 1093 C GLU A 71 2.377 -12.169 -13.066 1.00 64.44 C ATOM 1094 O GLU A 71 2.413 -13.378 -12.832 1.00 25.14 O ATOM 1095 CB GLU A 71 0.257 -11.345 -14.108 1.00 62.12 C ATOM 1096 CG GLU A 71 0.937 -10.655 -15.279 1.00 12.43 C ATOM 1097 CD GLU A 71 0.125 -10.738 -16.556 1.00 54.35 C ATOM 1098 OE1 GLU A 71 -0.926 -10.067 -16.635 1.00 73.24 O ATOM 1099 OE2 GLU A 71 0.539 -11.473 -17.477 1.00 10.41 O ATOM 0 H GLU A 71 1.019 -9.275 -13.006 1.00 32.32 H new ATOM 0 HA GLU A 71 0.534 -11.841 -12.035 1.00 15.11 H new ATOM 0 HB2 GLU A 71 0.017 -12.370 -14.390 1.00 62.12 H new ATOM 0 HB3 GLU A 71 -0.688 -10.843 -13.900 1.00 62.12 H new ATOM 0 HG2 GLU A 71 1.108 -9.608 -15.029 1.00 12.43 H new ATOM 0 HG3 GLU A 71 1.915 -11.107 -15.445 1.00 12.43 H new ATOM 1106 N LEU A 72 3.421 -11.492 -13.530 1.00 44.25 N ATOM 1107 CA LEU A 72 4.699 -12.143 -13.797 1.00 22.21 C ATOM 1108 C LEU A 72 5.205 -12.877 -12.559 1.00 31.10 C ATOM 1109 O LEU A 72 5.931 -13.866 -12.664 1.00 54.24 O ATOM 1110 CB LEU A 72 5.734 -11.113 -14.251 1.00 45.22 C ATOM 1111 CG LEU A 72 5.855 -10.903 -15.761 1.00 61.31 C ATOM 1112 CD1 LEU A 72 6.872 -9.816 -16.070 1.00 3.35 C ATOM 1113 CD2 LEU A 72 6.237 -12.205 -16.451 1.00 41.43 C ATOM 0 H LEU A 72 3.408 -10.492 -13.729 1.00 44.25 H new ATOM 0 HA LEU A 72 4.548 -12.872 -14.593 1.00 22.21 H new ATOM 0 HB2 LEU A 72 5.491 -10.156 -13.790 1.00 45.22 H new ATOM 0 HB3 LEU A 72 6.709 -11.414 -13.867 1.00 45.22 H new ATOM 0 HG LEU A 72 4.885 -10.583 -16.143 1.00 61.31 H new ATOM 0 HD11 LEU A 72 6.944 -9.681 -17.149 1.00 3.35 H new ATOM 0 HD12 LEU A 72 6.557 -8.881 -15.608 1.00 3.35 H new ATOM 0 HD13 LEU A 72 7.846 -10.106 -15.675 1.00 3.35 H new ATOM 0 HD21 LEU A 72 6.319 -12.037 -17.525 1.00 41.43 H new ATOM 0 HD22 LEU A 72 7.194 -12.554 -16.064 1.00 41.43 H new ATOM 0 HD23 LEU A 72 5.472 -12.957 -16.258 1.00 41.43 H new ATOM 1125 N SER A 73 4.815 -12.388 -11.386 1.00 54.55 N ATOM 1126 CA SER A 73 5.230 -12.996 -10.128 1.00 14.12 C ATOM 1127 C SER A 73 4.933 -14.493 -10.124 1.00 45.52 C ATOM 1128 O SER A 73 5.671 -15.281 -9.533 1.00 65.34 O ATOM 1129 CB SER A 73 4.520 -12.321 -8.952 1.00 73.25 C ATOM 1130 OG SER A 73 4.996 -12.820 -7.715 1.00 21.04 O ATOM 0 H SER A 73 4.212 -11.572 -11.281 1.00 54.55 H new ATOM 0 HA SER A 73 6.306 -12.856 -10.023 1.00 14.12 H new ATOM 0 HB2 SER A 73 4.678 -11.243 -8.998 1.00 73.25 H new ATOM 0 HB3 SER A 73 3.446 -12.489 -9.027 1.00 73.25 H new ATOM 0 HG SER A 73 4.424 -12.494 -6.989 1.00 21.04 H new ATOM 1136 N TYR A 74 3.849 -14.876 -10.788 1.00 14.11 N ATOM 1137 CA TYR A 74 3.452 -16.277 -10.860 1.00 21.20 C ATOM 1138 C TYR A 74 4.554 -17.123 -11.490 1.00 61.42 C ATOM 1139 O TYR A 74 4.741 -18.287 -11.133 1.00 52.32 O ATOM 1140 CB TYR A 74 2.159 -16.422 -11.664 1.00 62.43 C ATOM 1141 CG TYR A 74 1.421 -17.715 -11.396 1.00 44.35 C ATOM 1142 CD1 TYR A 74 1.136 -18.118 -10.098 1.00 32.03 C ATOM 1143 CD2 TYR A 74 1.011 -18.533 -12.442 1.00 12.14 C ATOM 1144 CE1 TYR A 74 0.463 -19.298 -9.848 1.00 74.30 C ATOM 1145 CE2 TYR A 74 0.336 -19.714 -12.201 1.00 52.03 C ATOM 1146 CZ TYR A 74 0.064 -20.092 -10.903 1.00 62.41 C ATOM 1147 OH TYR A 74 -0.607 -21.269 -10.660 1.00 3.04 O ATOM 0 H TYR A 74 3.229 -14.236 -11.284 1.00 14.11 H new ATOM 0 HA TYR A 74 3.281 -16.633 -9.844 1.00 21.20 H new ATOM 0 HB2 TYR A 74 1.502 -15.584 -11.433 1.00 62.43 H new ATOM 0 HB3 TYR A 74 2.393 -16.361 -12.727 1.00 62.43 H new ATOM 0 HD1 TYR A 74 1.446 -17.498 -9.270 1.00 32.03 H new ATOM 0 HD2 TYR A 74 1.224 -18.241 -13.460 1.00 12.14 H new ATOM 0 HE1 TYR A 74 0.250 -19.597 -8.832 1.00 74.30 H new ATOM 0 HE2 TYR A 74 0.023 -20.338 -13.025 1.00 52.03 H new ATOM 0 HH TYR A 74 -0.817 -21.708 -11.511 1.00 3.04 H new ATOM 1157 N VAL A 75 5.283 -16.530 -12.430 1.00 54.34 N ATOM 1158 CA VAL A 75 6.368 -17.227 -13.110 1.00 52.44 C ATOM 1159 C VAL A 75 7.609 -17.305 -12.228 1.00 75.30 C ATOM 1160 O VAL A 75 8.342 -18.294 -12.258 1.00 42.32 O ATOM 1161 CB VAL A 75 6.737 -16.533 -14.435 1.00 73.24 C ATOM 1162 CG1 VAL A 75 7.730 -17.376 -15.220 1.00 45.35 C ATOM 1163 CG2 VAL A 75 5.488 -16.261 -15.260 1.00 35.23 C ATOM 0 H VAL A 75 5.142 -15.568 -12.738 1.00 54.34 H new ATOM 0 HA VAL A 75 6.013 -18.235 -13.323 1.00 52.44 H new ATOM 0 HB VAL A 75 7.208 -15.577 -14.206 1.00 73.24 H new ATOM 0 HG11 VAL A 75 7.979 -16.870 -16.153 1.00 45.35 H new ATOM 0 HG12 VAL A 75 8.636 -17.515 -14.630 1.00 45.35 H new ATOM 0 HG13 VAL A 75 7.288 -18.348 -15.441 1.00 45.35 H new ATOM 0 HG21 VAL A 75 5.768 -15.770 -16.192 1.00 35.23 H new ATOM 0 HG22 VAL A 75 4.986 -17.203 -15.482 1.00 35.23 H new ATOM 0 HG23 VAL A 75 4.814 -15.615 -14.698 1.00 35.23 H new ATOM 1173 N ILE A 76 7.837 -16.258 -11.443 1.00 13.11 N ATOM 1174 CA ILE A 76 8.988 -16.209 -10.550 1.00 61.44 C ATOM 1175 C ILE A 76 9.034 -17.436 -9.645 1.00 50.40 C ATOM 1176 O ILE A 76 10.109 -17.892 -9.256 1.00 54.31 O ATOM 1177 CB ILE A 76 8.970 -14.941 -9.677 1.00 44.11 C ATOM 1178 CG1 ILE A 76 8.957 -13.690 -10.557 1.00 53.54 C ATOM 1179 CG2 ILE A 76 10.171 -14.925 -8.743 1.00 12.55 C ATOM 1180 CD1 ILE A 76 8.842 -12.401 -9.774 1.00 2.32 C ATOM 0 H ILE A 76 7.240 -15.432 -11.407 1.00 13.11 H new ATOM 0 HA ILE A 76 9.877 -16.192 -11.181 1.00 61.44 H new ATOM 0 HB ILE A 76 8.063 -14.946 -9.072 1.00 44.11 H new ATOM 0 HG12 ILE A 76 9.870 -13.664 -11.151 1.00 53.54 H new ATOM 0 HG13 ILE A 76 8.124 -13.756 -11.256 1.00 53.54 H new ATOM 0 HG21 ILE A 76 10.145 -14.023 -8.132 1.00 12.55 H new ATOM 0 HG22 ILE A 76 10.141 -15.802 -8.096 1.00 12.55 H new ATOM 0 HG23 ILE A 76 11.089 -14.939 -9.330 1.00 12.55 H new ATOM 0 HD11 ILE A 76 8.839 -11.556 -10.463 1.00 2.32 H new ATOM 0 HD12 ILE A 76 7.915 -12.405 -9.200 1.00 2.32 H new ATOM 0 HD13 ILE A 76 9.689 -12.312 -9.094 1.00 2.32 H new ATOM 1192 N GLU A 77 7.860 -17.965 -9.315 1.00 61.22 N ATOM 1193 CA GLU A 77 7.767 -19.140 -8.456 1.00 41.12 C ATOM 1194 C GLU A 77 8.656 -20.266 -8.976 1.00 44.21 C ATOM 1195 O GLU A 77 9.230 -21.028 -8.198 1.00 3.43 O ATOM 1196 CB GLU A 77 6.317 -19.620 -8.367 1.00 21.42 C ATOM 1197 CG GLU A 77 6.099 -20.705 -7.326 1.00 35.32 C ATOM 1198 CD GLU A 77 4.802 -21.464 -7.537 1.00 5.32 C ATOM 1199 OE1 GLU A 77 4.529 -21.864 -8.688 1.00 0.44 O ATOM 1200 OE2 GLU A 77 4.062 -21.657 -6.550 1.00 73.20 O ATOM 0 H GLU A 77 6.961 -17.599 -9.629 1.00 61.22 H new ATOM 0 HA GLU A 77 8.111 -18.859 -7.461 1.00 41.12 H new ATOM 0 HB2 GLU A 77 5.675 -18.770 -8.134 1.00 21.42 H new ATOM 0 HB3 GLU A 77 6.007 -19.996 -9.342 1.00 21.42 H new ATOM 0 HG2 GLU A 77 6.934 -21.405 -7.356 1.00 35.32 H new ATOM 0 HG3 GLU A 77 6.095 -20.255 -6.333 1.00 35.32 H new ATOM 1207 N ASP A 78 8.765 -20.364 -10.296 1.00 74.34 N ATOM 1208 CA ASP A 78 9.584 -21.396 -10.922 1.00 32.25 C ATOM 1209 C ASP A 78 11.000 -21.383 -10.355 1.00 42.10 C ATOM 1210 O ASP A 78 11.673 -22.413 -10.315 1.00 14.25 O ATOM 1211 CB ASP A 78 9.626 -21.196 -12.437 1.00 55.42 C ATOM 1212 CG ASP A 78 9.743 -22.505 -13.192 1.00 21.45 C ATOM 1213 OD1 ASP A 78 10.453 -23.409 -12.703 1.00 73.21 O ATOM 1214 OD2 ASP A 78 9.126 -22.626 -14.271 1.00 21.42 O ATOM 0 H ASP A 78 8.296 -19.741 -10.954 1.00 74.34 H new ATOM 0 HA ASP A 78 9.133 -22.364 -10.705 1.00 32.25 H new ATOM 0 HB2 ASP A 78 8.723 -20.675 -12.757 1.00 55.42 H new ATOM 0 HB3 ASP A 78 10.471 -20.556 -12.693 1.00 55.42 H new ATOM 1219 N ALA A 79 11.447 -20.209 -9.920 1.00 30.43 N ATOM 1220 CA ALA A 79 12.783 -20.062 -9.355 1.00 34.31 C ATOM 1221 C ALA A 79 13.019 -21.070 -8.235 1.00 0.21 C ATOM 1222 O ALA A 79 14.004 -21.808 -8.248 1.00 71.42 O ATOM 1223 CB ALA A 79 12.986 -18.644 -8.843 1.00 50.02 C ATOM 0 H ALA A 79 10.904 -19.346 -9.948 1.00 30.43 H new ATOM 0 HA ALA A 79 13.508 -20.259 -10.144 1.00 34.31 H new ATOM 0 HB1 ALA A 79 13.988 -18.548 -8.424 1.00 50.02 H new ATOM 0 HB2 ALA A 79 12.868 -17.940 -9.666 1.00 50.02 H new ATOM 0 HB3 ALA A 79 12.248 -18.427 -8.071 1.00 50.02 H new ATOM 1229 N VAL A 80 12.110 -21.094 -7.265 1.00 71.35 N ATOM 1230 CA VAL A 80 12.219 -22.012 -6.138 1.00 5.45 C ATOM 1231 C VAL A 80 11.690 -23.395 -6.500 1.00 42.55 C ATOM 1232 O VAL A 80 12.099 -24.399 -5.918 1.00 60.44 O ATOM 1233 CB VAL A 80 11.452 -21.486 -4.910 1.00 72.10 C ATOM 1234 CG1 VAL A 80 9.958 -21.440 -5.194 1.00 1.13 C ATOM 1235 CG2 VAL A 80 11.745 -22.347 -3.690 1.00 51.33 C ATOM 0 H VAL A 80 11.290 -20.488 -7.237 1.00 71.35 H new ATOM 0 HA VAL A 80 13.278 -22.086 -5.892 1.00 5.45 H new ATOM 0 HB VAL A 80 11.789 -20.471 -4.699 1.00 72.10 H new ATOM 0 HG11 VAL A 80 9.432 -21.066 -4.316 1.00 1.13 H new ATOM 0 HG12 VAL A 80 9.769 -20.779 -6.039 1.00 1.13 H new ATOM 0 HG13 VAL A 80 9.602 -22.443 -5.431 1.00 1.13 H new ATOM 0 HG21 VAL A 80 11.195 -21.961 -2.832 1.00 51.33 H new ATOM 0 HG22 VAL A 80 11.437 -23.374 -3.887 1.00 51.33 H new ATOM 0 HG23 VAL A 80 12.814 -22.324 -3.476 1.00 51.33 H new ATOM 1245 N ASP A 81 10.779 -23.438 -7.466 1.00 61.31 N ATOM 1246 CA ASP A 81 10.194 -24.699 -7.909 1.00 1.32 C ATOM 1247 C ASP A 81 11.282 -25.703 -8.278 1.00 52.52 C ATOM 1248 O ASP A 81 11.080 -26.914 -8.189 1.00 42.13 O ATOM 1249 CB ASP A 81 9.271 -24.465 -9.106 1.00 10.44 C ATOM 1250 CG ASP A 81 8.363 -25.648 -9.377 1.00 21.13 C ATOM 1251 OD1 ASP A 81 7.496 -25.937 -8.526 1.00 71.21 O ATOM 1252 OD2 ASP A 81 8.520 -26.286 -10.439 1.00 43.11 O ATOM 0 H ASP A 81 10.430 -22.615 -7.957 1.00 61.31 H new ATOM 0 HA ASP A 81 9.610 -25.110 -7.085 1.00 1.32 H new ATOM 0 HB2 ASP A 81 8.663 -23.578 -8.925 1.00 10.44 H new ATOM 0 HB3 ASP A 81 9.873 -24.263 -9.992 1.00 10.44 H new ATOM 1257 N LYS A 82 12.435 -25.191 -8.694 1.00 43.13 N ATOM 1258 CA LYS A 82 13.556 -26.041 -9.078 1.00 20.14 C ATOM 1259 C LYS A 82 14.115 -26.783 -7.868 1.00 33.23 C ATOM 1260 O LYS A 82 14.473 -27.957 -7.958 1.00 65.44 O ATOM 1261 CB LYS A 82 14.659 -25.204 -9.729 1.00 53.43 C ATOM 1262 CG LYS A 82 14.217 -24.501 -11.002 1.00 23.23 C ATOM 1263 CD LYS A 82 13.951 -25.492 -12.122 1.00 71.41 C ATOM 1264 CE LYS A 82 15.246 -26.038 -12.703 1.00 62.21 C ATOM 1265 NZ LYS A 82 15.673 -27.293 -12.025 1.00 72.50 N ATOM 0 H LYS A 82 12.618 -24.191 -8.774 1.00 43.13 H new ATOM 0 HA LYS A 82 13.193 -26.775 -9.798 1.00 20.14 H new ATOM 0 HB2 LYS A 82 15.008 -24.459 -9.014 1.00 53.43 H new ATOM 0 HB3 LYS A 82 15.508 -25.849 -9.956 1.00 53.43 H new ATOM 0 HG2 LYS A 82 13.314 -23.923 -10.805 1.00 23.23 H new ATOM 0 HG3 LYS A 82 14.986 -23.795 -11.315 1.00 23.23 H new ATOM 0 HD2 LYS A 82 13.345 -26.315 -11.744 1.00 71.41 H new ATOM 0 HD3 LYS A 82 13.374 -25.007 -12.909 1.00 71.41 H new ATOM 0 HE2 LYS A 82 15.114 -26.228 -13.768 1.00 62.21 H new ATOM 0 HE3 LYS A 82 16.031 -25.288 -12.607 1.00 62.21 H new ATOM 0 HZ1 LYS A 82 16.644 -27.182 -11.669 1.00 72.50 H new ATOM 0 HZ2 LYS A 82 15.033 -27.493 -11.230 1.00 72.50 H new ATOM 0 HZ3 LYS A 82 15.640 -28.082 -12.702 1.00 72.50 H new ATOM 1279 N PHE A 83 14.184 -26.091 -6.735 1.00 65.23 N ATOM 1280 CA PHE A 83 14.699 -26.685 -5.507 1.00 20.21 C ATOM 1281 C PHE A 83 13.685 -27.653 -4.904 1.00 53.03 C ATOM 1282 O PHE A 83 14.054 -28.641 -4.269 1.00 20.42 O ATOM 1283 CB PHE A 83 15.044 -25.593 -4.492 1.00 55.24 C ATOM 1284 CG PHE A 83 15.396 -26.126 -3.133 1.00 73.43 C ATOM 1285 CD1 PHE A 83 16.263 -27.198 -2.999 1.00 23.41 C ATOM 1286 CD2 PHE A 83 14.860 -25.556 -1.990 1.00 52.32 C ATOM 1287 CE1 PHE A 83 16.588 -27.692 -1.749 1.00 43.34 C ATOM 1288 CE2 PHE A 83 15.181 -26.045 -0.738 1.00 5.51 C ATOM 1289 CZ PHE A 83 16.048 -27.113 -0.618 1.00 32.45 C ATOM 0 H PHE A 83 13.890 -25.119 -6.642 1.00 65.23 H new ATOM 0 HA PHE A 83 15.604 -27.241 -5.754 1.00 20.21 H new ATOM 0 HB2 PHE A 83 15.881 -25.007 -4.871 1.00 55.24 H new ATOM 0 HB3 PHE A 83 14.196 -24.914 -4.399 1.00 55.24 H new ATOM 0 HD1 PHE A 83 16.690 -27.653 -3.881 1.00 23.41 H new ATOM 0 HD2 PHE A 83 14.183 -24.719 -2.078 1.00 52.32 H new ATOM 0 HE1 PHE A 83 17.263 -28.530 -1.658 1.00 43.34 H new ATOM 0 HE2 PHE A 83 14.754 -25.593 0.145 1.00 5.51 H new ATOM 0 HZ PHE A 83 16.303 -27.495 0.359 1.00 32.45 H new ATOM 1299 N LEU A 84 12.405 -27.361 -5.108 1.00 32.32 N ATOM 1300 CA LEU A 84 11.335 -28.205 -4.585 1.00 4.52 C ATOM 1301 C LEU A 84 11.259 -29.523 -5.348 1.00 52.10 C ATOM 1302 O LEU A 84 10.534 -30.438 -4.956 1.00 64.03 O ATOM 1303 CB LEU A 84 9.994 -27.474 -4.671 1.00 4.40 C ATOM 1304 CG LEU A 84 9.958 -26.065 -4.077 1.00 45.11 C ATOM 1305 CD1 LEU A 84 8.781 -25.281 -4.635 1.00 11.43 C ATOM 1306 CD2 LEU A 84 9.888 -26.128 -2.558 1.00 65.13 C ATOM 0 H LEU A 84 12.083 -26.547 -5.631 1.00 32.32 H new ATOM 0 HA LEU A 84 11.556 -28.424 -3.540 1.00 4.52 H new ATOM 0 HB2 LEU A 84 9.703 -27.412 -5.720 1.00 4.40 H new ATOM 0 HB3 LEU A 84 9.240 -28.079 -4.167 1.00 4.40 H new ATOM 0 HG LEU A 84 10.877 -25.550 -4.357 1.00 45.11 H new ATOM 0 HD11 LEU A 84 8.771 -24.281 -4.201 1.00 11.43 H new ATOM 0 HD12 LEU A 84 8.875 -25.206 -5.718 1.00 11.43 H new ATOM 0 HD13 LEU A 84 7.852 -25.793 -4.386 1.00 11.43 H new ATOM 0 HD21 LEU A 84 9.863 -25.116 -2.153 1.00 65.13 H new ATOM 0 HD22 LEU A 84 8.986 -26.662 -2.257 1.00 65.13 H new ATOM 0 HD23 LEU A 84 10.764 -26.651 -2.175 1.00 65.13 H new ATOM 1318 N VAL A 85 12.013 -29.614 -6.439 1.00 52.10 N ATOM 1319 CA VAL A 85 12.033 -30.822 -7.256 1.00 2.43 C ATOM 1320 C VAL A 85 12.281 -32.059 -6.401 1.00 23.14 C ATOM 1321 O VAL A 85 11.821 -33.154 -6.726 1.00 44.44 O ATOM 1322 CB VAL A 85 13.115 -30.741 -8.349 1.00 72.43 C ATOM 1323 CG1 VAL A 85 14.503 -30.833 -7.735 1.00 43.11 C ATOM 1324 CG2 VAL A 85 12.907 -31.837 -9.384 1.00 45.34 C ATOM 0 H VAL A 85 12.618 -28.866 -6.778 1.00 52.10 H new ATOM 0 HA VAL A 85 11.054 -30.902 -7.729 1.00 2.43 H new ATOM 0 HB VAL A 85 13.030 -29.777 -8.850 1.00 72.43 H new ATOM 0 HG11 VAL A 85 15.254 -30.774 -8.523 1.00 43.11 H new ATOM 0 HG12 VAL A 85 14.646 -30.010 -7.035 1.00 43.11 H new ATOM 0 HG13 VAL A 85 14.605 -31.781 -7.207 1.00 43.11 H new ATOM 0 HG21 VAL A 85 13.680 -31.766 -10.149 1.00 45.34 H new ATOM 0 HG22 VAL A 85 12.965 -32.811 -8.899 1.00 45.34 H new ATOM 0 HG23 VAL A 85 11.927 -31.720 -9.846 1.00 45.34 H new ATOM 1334 N ARG A 86 13.011 -31.878 -5.305 1.00 1.22 N ATOM 1335 CA ARG A 86 13.321 -32.980 -4.402 1.00 63.14 C ATOM 1336 C ARG A 86 12.071 -33.443 -3.660 1.00 3.24 C ATOM 1337 O ARG A 86 11.732 -34.626 -3.671 1.00 73.11 O ATOM 1338 CB ARG A 86 14.397 -32.559 -3.400 1.00 11.15 C ATOM 1339 CG ARG A 86 15.815 -32.793 -3.893 1.00 62.13 C ATOM 1340 CD ARG A 86 16.260 -34.227 -3.649 1.00 45.44 C ATOM 1341 NE ARG A 86 15.824 -35.124 -4.715 1.00 71.24 N ATOM 1342 CZ ARG A 86 16.447 -35.236 -5.883 1.00 53.34 C ATOM 1343 NH1 ARG A 86 17.528 -34.510 -6.134 1.00 54.00 N ATOM 1344 NH2 ARG A 86 15.989 -36.075 -6.804 1.00 14.15 N ATOM 0 H ARG A 86 13.399 -30.978 -5.021 1.00 1.22 H new ATOM 0 HA ARG A 86 13.696 -33.811 -4.999 1.00 63.14 H new ATOM 0 HB2 ARG A 86 14.272 -31.501 -3.169 1.00 11.15 H new ATOM 0 HB3 ARG A 86 14.250 -33.108 -2.470 1.00 11.15 H new ATOM 0 HG2 ARG A 86 15.873 -32.569 -4.958 1.00 62.13 H new ATOM 0 HG3 ARG A 86 16.495 -32.109 -3.386 1.00 62.13 H new ATOM 0 HD2 ARG A 86 17.347 -34.261 -3.569 1.00 45.44 H new ATOM 0 HD3 ARG A 86 15.859 -34.574 -2.697 1.00 45.44 H new ATOM 0 HE ARG A 86 14.995 -35.696 -4.554 1.00 71.24 H new ATOM 0 HH11 ARG A 86 17.883 -33.864 -5.429 1.00 54.00 H new ATOM 0 HH12 ARG A 86 18.004 -34.598 -7.032 1.00 54.00 H new ATOM 0 HH21 ARG A 86 15.158 -36.635 -6.615 1.00 14.15 H new ATOM 0 HH22 ARG A 86 16.469 -36.160 -7.700 1.00 14.15 H new ATOM 1358 N VAL A 87 11.390 -32.501 -3.014 1.00 25.44 N ATOM 1359 CA VAL A 87 10.178 -32.812 -2.266 1.00 10.12 C ATOM 1360 C VAL A 87 9.041 -33.207 -3.202 1.00 0.53 C ATOM 1361 O VAL A 87 8.120 -33.924 -2.809 1.00 51.43 O ATOM 1362 CB VAL A 87 9.728 -31.617 -1.405 1.00 1.33 C ATOM 1363 CG1 VAL A 87 10.796 -31.264 -0.381 1.00 3.20 C ATOM 1364 CG2 VAL A 87 9.405 -30.419 -2.285 1.00 14.45 C ATOM 0 H VAL A 87 11.657 -31.517 -2.994 1.00 25.44 H new ATOM 0 HA VAL A 87 10.415 -33.652 -1.613 1.00 10.12 H new ATOM 0 HB VAL A 87 8.823 -31.899 -0.867 1.00 1.33 H new ATOM 0 HG11 VAL A 87 10.460 -30.417 0.218 1.00 3.20 H new ATOM 0 HG12 VAL A 87 10.974 -32.121 0.269 1.00 3.20 H new ATOM 0 HG13 VAL A 87 11.720 -31.001 -0.895 1.00 3.20 H new ATOM 0 HG21 VAL A 87 9.089 -29.584 -1.660 1.00 14.45 H new ATOM 0 HG22 VAL A 87 10.292 -30.134 -2.851 1.00 14.45 H new ATOM 0 HG23 VAL A 87 8.603 -30.680 -2.975 1.00 14.45 H new ATOM 1374 N HIS A 88 9.112 -32.734 -4.442 1.00 52.01 N ATOM 1375 CA HIS A 88 8.088 -33.038 -5.436 1.00 23.52 C ATOM 1376 C HIS A 88 8.235 -34.469 -5.946 1.00 41.21 C ATOM 1377 O HIS A 88 7.325 -35.012 -6.570 1.00 71.23 O ATOM 1378 CB HIS A 88 8.174 -32.056 -6.604 1.00 71.34 C ATOM 1379 CG HIS A 88 6.863 -31.828 -7.292 1.00 1.52 C ATOM 1380 ND1 HIS A 88 6.651 -30.799 -8.186 1.00 24.14 N ATOM 1381 CD2 HIS A 88 5.693 -32.503 -7.213 1.00 54.24 C ATOM 1382 CE1 HIS A 88 5.407 -30.851 -8.626 1.00 11.41 C ATOM 1383 NE2 HIS A 88 4.804 -31.876 -8.052 1.00 12.14 N ATOM 0 H HIS A 88 9.867 -32.139 -4.783 1.00 52.01 H new ATOM 0 HA HIS A 88 7.113 -32.939 -4.960 1.00 23.52 H new ATOM 0 HB2 HIS A 88 8.554 -31.102 -6.239 1.00 71.34 H new ATOM 0 HB3 HIS A 88 8.896 -32.430 -7.330 1.00 71.34 H new ATOM 0 HD2 HIS A 88 5.495 -33.373 -6.604 1.00 54.24 H new ATOM 0 HE1 HIS A 88 4.959 -30.171 -9.335 1.00 11.41 H new ATOM 0 HE2 HIS A 88 3.836 -32.157 -8.206 1.00 12.14 H new ATOM 1391 N GLY A 89 9.389 -35.073 -5.677 1.00 35.05 N ATOM 1392 CA GLY A 89 9.634 -36.434 -6.117 1.00 34.15 C ATOM 1393 C GLY A 89 9.701 -36.552 -7.626 1.00 61.12 C ATOM 1394 O GLY A 89 9.544 -37.641 -8.179 1.00 2.02 O ATOM 0 H GLY A 89 10.158 -34.644 -5.162 1.00 35.05 H new ATOM 0 HA2 GLY A 89 10.570 -36.789 -5.686 1.00 34.15 H new ATOM 0 HA3 GLY A 89 8.843 -37.082 -5.740 1.00 34.15 H new ATOM 1398 N VAL A 90 9.934 -35.428 -8.296 1.00 54.14 N ATOM 1399 CA VAL A 90 10.021 -35.409 -9.752 1.00 33.53 C ATOM 1400 C VAL A 90 11.473 -35.398 -10.215 1.00 41.41 C ATOM 1401 O VAL A 90 12.298 -34.656 -9.683 1.00 22.23 O ATOM 1402 CB VAL A 90 9.295 -34.186 -10.342 1.00 50.10 C ATOM 1403 CG1 VAL A 90 9.421 -34.170 -11.858 1.00 3.13 C ATOM 1404 CG2 VAL A 90 7.833 -34.179 -9.920 1.00 63.45 C ATOM 0 H VAL A 90 10.066 -34.518 -7.854 1.00 54.14 H new ATOM 0 HA VAL A 90 9.536 -36.317 -10.110 1.00 33.53 H new ATOM 0 HB VAL A 90 9.766 -33.283 -9.953 1.00 50.10 H new ATOM 0 HG11 VAL A 90 8.902 -33.299 -12.257 1.00 3.13 H new ATOM 0 HG12 VAL A 90 10.474 -34.123 -12.135 1.00 3.13 H new ATOM 0 HG13 VAL A 90 8.977 -35.077 -12.270 1.00 3.13 H new ATOM 0 HG21 VAL A 90 7.335 -33.308 -10.346 1.00 63.45 H new ATOM 0 HG22 VAL A 90 7.346 -35.086 -10.279 1.00 63.45 H new ATOM 0 HG23 VAL A 90 7.768 -34.138 -8.833 1.00 63.45 H new ATOM 1414 N GLU A 91 11.778 -36.224 -11.211 1.00 33.12 N ATOM 1415 CA GLU A 91 13.132 -36.308 -11.746 1.00 34.33 C ATOM 1416 C GLU A 91 13.661 -34.924 -12.108 1.00 13.42 C ATOM 1417 O GLU A 91 12.901 -33.985 -12.350 1.00 65.24 O ATOM 1418 CB GLU A 91 13.162 -37.216 -12.977 1.00 53.12 C ATOM 1419 CG GLU A 91 12.016 -36.968 -13.944 1.00 44.23 C ATOM 1420 CD GLU A 91 12.200 -37.692 -15.264 1.00 34.32 C ATOM 1421 OE1 GLU A 91 13.015 -37.229 -16.088 1.00 5.35 O ATOM 1422 OE2 GLU A 91 11.527 -38.724 -15.472 1.00 14.40 O ATOM 0 H GLU A 91 11.106 -36.844 -11.663 1.00 33.12 H new ATOM 0 HA GLU A 91 13.774 -36.733 -10.974 1.00 34.33 H new ATOM 0 HB2 GLU A 91 14.107 -37.072 -13.502 1.00 53.12 H new ATOM 0 HB3 GLU A 91 13.133 -38.256 -12.652 1.00 53.12 H new ATOM 0 HG2 GLU A 91 11.082 -37.290 -13.484 1.00 44.23 H new ATOM 0 HG3 GLU A 91 11.928 -35.898 -14.130 1.00 44.23 H new ATOM 1429 N PRO A 92 14.995 -34.792 -12.145 1.00 11.51 N ATOM 1430 CA PRO A 92 15.656 -33.526 -12.476 1.00 43.12 C ATOM 1431 C PRO A 92 15.480 -33.146 -13.942 1.00 72.04 C ATOM 1432 O PRO A 92 15.636 -33.981 -14.833 1.00 65.40 O ATOM 1433 CB PRO A 92 17.130 -33.805 -12.170 1.00 12.24 C ATOM 1434 CG PRO A 92 17.273 -35.281 -12.309 1.00 32.12 C ATOM 1435 CD PRO A 92 15.961 -35.868 -11.867 1.00 13.21 C ATOM 0 HA PRO A 92 15.240 -32.690 -11.914 1.00 43.12 H new ATOM 0 HB2 PRO A 92 17.785 -33.277 -12.863 1.00 12.24 H new ATOM 0 HB3 PRO A 92 17.395 -33.474 -11.166 1.00 12.24 H new ATOM 0 HG2 PRO A 92 17.496 -35.556 -13.340 1.00 32.12 H new ATOM 0 HG3 PRO A 92 18.093 -35.653 -11.695 1.00 32.12 H new ATOM 0 HD2 PRO A 92 15.721 -36.776 -12.419 1.00 13.21 H new ATOM 0 HD3 PRO A 92 15.975 -36.132 -10.810 1.00 13.21 H new ATOM 1443 N ASP A 93 15.154 -31.882 -14.186 1.00 14.52 N ATOM 1444 CA ASP A 93 14.957 -31.391 -15.545 1.00 4.41 C ATOM 1445 C ASP A 93 15.166 -29.881 -15.613 1.00 3.01 C ATOM 1446 O ASP A 93 15.117 -29.191 -14.594 1.00 62.14 O ATOM 1447 CB ASP A 93 13.555 -31.747 -16.041 1.00 41.32 C ATOM 1448 CG ASP A 93 13.538 -32.118 -17.511 1.00 22.32 C ATOM 1449 OD1 ASP A 93 14.486 -31.738 -18.230 1.00 72.33 O ATOM 1450 OD2 ASP A 93 12.578 -32.790 -17.941 1.00 53.04 O ATOM 0 H ASP A 93 15.020 -31.178 -13.460 1.00 14.52 H new ATOM 0 HA ASP A 93 15.694 -31.871 -16.189 1.00 4.41 H new ATOM 0 HB2 ASP A 93 13.166 -32.579 -15.455 1.00 41.32 H new ATOM 0 HB3 ASP A 93 12.888 -30.901 -15.875 1.00 41.32 H new ATOM 1455 N ASP A 94 15.401 -29.375 -16.819 1.00 35.14 N ATOM 1456 CA ASP A 94 15.617 -27.947 -17.020 1.00 22.12 C ATOM 1457 C ASP A 94 14.405 -27.302 -17.685 1.00 2.25 C ATOM 1458 O ASP A 94 14.158 -26.108 -17.522 1.00 1.25 O ATOM 1459 CB ASP A 94 16.866 -27.714 -17.872 1.00 30.04 C ATOM 1460 CG ASP A 94 18.143 -27.785 -17.058 1.00 43.11 C ATOM 1461 OD1 ASP A 94 18.464 -28.880 -16.551 1.00 31.24 O ATOM 1462 OD2 ASP A 94 18.823 -26.745 -16.930 1.00 33.25 O ATOM 0 H ASP A 94 15.447 -29.933 -17.672 1.00 35.14 H new ATOM 0 HA ASP A 94 15.761 -27.485 -16.043 1.00 22.12 H new ATOM 0 HB2 ASP A 94 16.904 -28.458 -18.668 1.00 30.04 H new ATOM 0 HB3 ASP A 94 16.798 -26.738 -18.352 1.00 30.04 H new ATOM 1467 N ASN A 95 13.653 -28.100 -18.435 1.00 63.41 N ATOM 1468 CA ASN A 95 12.468 -27.607 -19.126 1.00 53.32 C ATOM 1469 C ASN A 95 11.413 -27.136 -18.129 1.00 45.40 C ATOM 1470 O ASN A 95 10.474 -26.426 -18.490 1.00 1.32 O ATOM 1471 CB ASN A 95 11.884 -28.699 -20.025 1.00 10.40 C ATOM 1472 CG ASN A 95 10.974 -29.646 -19.267 1.00 52.22 C ATOM 1473 OD1 ASN A 95 9.863 -29.943 -19.708 1.00 3.31 O ATOM 1474 ND2 ASN A 95 11.442 -30.125 -18.121 1.00 33.05 N ATOM 0 H ASN A 95 13.843 -29.092 -18.580 1.00 63.41 H new ATOM 0 HA ASN A 95 12.765 -26.758 -19.742 1.00 53.32 H new ATOM 0 HB2 ASN A 95 11.326 -28.236 -20.839 1.00 10.40 H new ATOM 0 HB3 ASN A 95 12.697 -29.266 -20.479 1.00 10.40 H new ATOM 0 HD21 ASN A 95 10.875 -30.767 -17.567 1.00 33.05 H new ATOM 0 HD22 ASN A 95 12.369 -29.851 -17.794 1.00 33.05 H new ATOM 1481 N THR A 96 11.576 -27.535 -16.871 1.00 73.34 N ATOM 1482 CA THR A 96 10.639 -27.155 -15.822 1.00 33.22 C ATOM 1483 C THR A 96 10.732 -25.665 -15.514 1.00 64.13 C ATOM 1484 O THR A 96 9.775 -25.060 -15.035 1.00 1.44 O ATOM 1485 CB THR A 96 10.891 -27.952 -14.528 1.00 4.32 C ATOM 1486 OG1 THR A 96 12.299 -28.098 -14.310 1.00 21.04 O ATOM 1487 CG2 THR A 96 10.239 -29.324 -14.601 1.00 62.11 C ATOM 0 H THR A 96 12.348 -28.121 -16.555 1.00 73.34 H new ATOM 0 HA THR A 96 9.640 -27.384 -16.193 1.00 33.22 H new ATOM 0 HB THR A 96 10.450 -27.402 -13.697 1.00 4.32 H new ATOM 0 HG1 THR A 96 12.452 -28.604 -13.485 1.00 21.04 H new ATOM 0 HG21 THR A 96 10.431 -29.868 -13.676 1.00 62.11 H new ATOM 0 HG22 THR A 96 9.164 -29.209 -14.738 1.00 62.11 H new ATOM 0 HG23 THR A 96 10.654 -29.880 -15.441 1.00 62.11 H new ATOM 1495 N ASN A 97 11.892 -25.080 -15.794 1.00 42.44 N ATOM 1496 CA ASN A 97 12.110 -23.659 -15.547 1.00 45.15 C ATOM 1497 C ASN A 97 11.179 -22.808 -16.406 1.00 22.22 C ATOM 1498 O ASN A 97 10.820 -21.693 -16.032 1.00 53.41 O ATOM 1499 CB ASN A 97 13.567 -23.288 -15.834 1.00 30.01 C ATOM 1500 CG ASN A 97 14.040 -22.115 -14.997 1.00 61.02 C ATOM 1501 OD1 ASN A 97 13.791 -20.957 -15.334 1.00 35.41 O ATOM 1502 ND2 ASN A 97 14.728 -22.410 -13.900 1.00 74.11 N ATOM 0 H ASN A 97 12.695 -25.567 -16.192 1.00 42.44 H new ATOM 0 HA ASN A 97 11.891 -23.460 -14.498 1.00 45.15 H new ATOM 0 HB2 ASN A 97 14.204 -24.151 -15.639 1.00 30.01 H new ATOM 0 HB3 ASN A 97 13.676 -23.044 -16.891 1.00 30.01 H new ATOM 0 HD21 ASN A 97 15.073 -21.662 -13.298 1.00 74.11 H new ATOM 0 HD22 ASN A 97 14.911 -23.384 -13.659 1.00 74.11 H new ATOM 1509 N GLY A 98 10.791 -23.344 -17.559 1.00 65.42 N ATOM 1510 CA GLY A 98 9.905 -22.622 -18.452 1.00 42.45 C ATOM 1511 C GLY A 98 10.474 -21.281 -18.874 1.00 71.20 C ATOM 1512 O GLY A 98 9.732 -20.376 -19.257 1.00 32.43 O ATOM 0 H GLY A 98 11.075 -24.266 -17.890 1.00 65.42 H new ATOM 0 HA2 GLY A 98 9.715 -23.228 -19.338 1.00 42.45 H new ATOM 0 HA3 GLY A 98 8.945 -22.467 -17.960 1.00 42.45 H new ATOM 1516 N PHE A 99 11.795 -21.152 -18.803 1.00 15.34 N ATOM 1517 CA PHE A 99 12.462 -19.911 -19.177 1.00 44.34 C ATOM 1518 C PHE A 99 12.239 -19.597 -20.654 1.00 34.21 C ATOM 1519 O PHE A 99 12.290 -18.439 -21.070 1.00 30.44 O ATOM 1520 CB PHE A 99 13.961 -20.005 -18.886 1.00 25.40 C ATOM 1521 CG PHE A 99 14.602 -18.677 -18.604 1.00 3.44 C ATOM 1522 CD1 PHE A 99 14.290 -17.973 -17.451 1.00 63.14 C ATOM 1523 CD2 PHE A 99 15.517 -18.131 -19.490 1.00 30.30 C ATOM 1524 CE1 PHE A 99 14.878 -16.750 -17.190 1.00 10.23 C ATOM 1525 CE2 PHE A 99 16.108 -16.909 -19.233 1.00 43.44 C ATOM 1526 CZ PHE A 99 15.789 -16.218 -18.081 1.00 50.51 C ATOM 0 H PHE A 99 12.424 -21.891 -18.490 1.00 15.34 H new ATOM 0 HA PHE A 99 12.033 -19.104 -18.583 1.00 44.34 H new ATOM 0 HB2 PHE A 99 14.116 -20.663 -18.031 1.00 25.40 H new ATOM 0 HB3 PHE A 99 14.460 -20.466 -19.738 1.00 25.40 H new ATOM 0 HD1 PHE A 99 13.580 -18.385 -16.749 1.00 63.14 H new ATOM 0 HD2 PHE A 99 15.771 -18.667 -20.392 1.00 30.30 H new ATOM 0 HE1 PHE A 99 14.625 -16.210 -16.289 1.00 10.23 H new ATOM 0 HE2 PHE A 99 16.819 -16.495 -19.933 1.00 43.44 H new ATOM 0 HZ PHE A 99 16.251 -15.263 -17.877 1.00 50.51 H new ATOM 1536 N LYS A 100 11.991 -20.637 -21.442 1.00 73.44 N ATOM 1537 CA LYS A 100 11.758 -20.476 -22.873 1.00 1.33 C ATOM 1538 C LYS A 100 10.679 -19.430 -23.134 1.00 10.34 C ATOM 1539 O LYS A 100 10.895 -18.473 -23.876 1.00 51.12 O ATOM 1540 CB LYS A 100 11.350 -21.812 -23.498 1.00 45.53 C ATOM 1541 CG LYS A 100 12.499 -22.797 -23.630 1.00 73.10 C ATOM 1542 CD LYS A 100 13.420 -22.429 -24.781 1.00 73.53 C ATOM 1543 CE LYS A 100 14.653 -23.319 -24.815 1.00 32.44 C ATOM 1544 NZ LYS A 100 15.635 -22.868 -25.838 1.00 44.43 N ATOM 0 H LYS A 100 11.946 -21.602 -21.114 1.00 73.44 H new ATOM 0 HA LYS A 100 12.687 -20.136 -23.331 1.00 1.33 H new ATOM 0 HB2 LYS A 100 10.564 -22.262 -22.892 1.00 45.53 H new ATOM 0 HB3 LYS A 100 10.925 -21.627 -24.485 1.00 45.53 H new ATOM 0 HG2 LYS A 100 13.068 -22.820 -22.701 1.00 73.10 H new ATOM 0 HG3 LYS A 100 12.103 -23.800 -23.786 1.00 73.10 H new ATOM 0 HD2 LYS A 100 12.880 -22.518 -25.723 1.00 73.53 H new ATOM 0 HD3 LYS A 100 13.725 -21.387 -24.686 1.00 73.53 H new ATOM 0 HE2 LYS A 100 15.127 -23.321 -23.833 1.00 32.44 H new ATOM 0 HE3 LYS A 100 14.354 -24.346 -25.027 1.00 32.44 H new ATOM 0 HZ1 LYS A 100 16.461 -23.500 -25.829 1.00 44.43 H new ATOM 0 HZ2 LYS A 100 15.192 -22.890 -26.778 1.00 44.43 H new ATOM 0 HZ3 LYS A 100 15.940 -21.898 -25.622 1.00 44.43 H new ATOM 1558 N GLY A 101 9.516 -19.618 -22.516 1.00 65.44 N ATOM 1559 CA GLY A 101 8.422 -18.682 -22.694 1.00 32.30 C ATOM 1560 C GLY A 101 8.554 -17.461 -21.806 1.00 15.00 C ATOM 1561 O GLY A 101 8.259 -16.342 -22.229 1.00 4.03 O ATOM 0 H GLY A 101 9.313 -20.402 -21.896 1.00 65.44 H new ATOM 0 HA2 GLY A 101 8.384 -18.367 -23.737 1.00 32.30 H new ATOM 0 HA3 GLY A 101 7.479 -19.184 -22.478 1.00 32.30 H new ATOM 1565 N LEU A 102 8.995 -17.674 -20.571 1.00 60.13 N ATOM 1566 CA LEU A 102 9.164 -16.581 -19.620 1.00 33.33 C ATOM 1567 C LEU A 102 10.084 -15.504 -20.185 1.00 31.20 C ATOM 1568 O LEU A 102 9.783 -14.314 -20.107 1.00 53.53 O ATOM 1569 CB LEU A 102 9.729 -17.110 -18.300 1.00 60.35 C ATOM 1570 CG LEU A 102 10.307 -16.062 -17.350 1.00 3.24 C ATOM 1571 CD1 LEU A 102 9.239 -15.056 -16.950 1.00 74.31 C ATOM 1572 CD2 LEU A 102 10.902 -16.729 -16.118 1.00 14.13 C ATOM 0 H LEU A 102 9.242 -18.593 -20.205 1.00 60.13 H new ATOM 0 HA LEU A 102 8.185 -16.137 -19.437 1.00 33.33 H new ATOM 0 HB2 LEU A 102 8.937 -17.647 -17.778 1.00 60.35 H new ATOM 0 HB3 LEU A 102 10.510 -17.836 -18.527 1.00 60.35 H new ATOM 0 HG LEU A 102 11.103 -15.528 -17.870 1.00 3.24 H new ATOM 0 HD11 LEU A 102 9.670 -14.318 -16.273 1.00 74.31 H new ATOM 0 HD12 LEU A 102 8.860 -14.555 -17.840 1.00 74.31 H new ATOM 0 HD13 LEU A 102 8.421 -15.574 -16.449 1.00 74.31 H new ATOM 0 HD21 LEU A 102 11.309 -15.967 -15.453 1.00 14.13 H new ATOM 0 HD22 LEU A 102 10.126 -17.289 -15.597 1.00 14.13 H new ATOM 0 HD23 LEU A 102 11.698 -17.409 -16.421 1.00 14.13 H new ATOM 1584 N MET A 103 11.206 -15.931 -20.755 1.00 73.34 N ATOM 1585 CA MET A 103 12.168 -15.003 -21.337 1.00 42.11 C ATOM 1586 C MET A 103 11.495 -14.089 -22.356 1.00 72.43 C ATOM 1587 O MET A 103 11.804 -12.900 -22.439 1.00 72.45 O ATOM 1588 CB MET A 103 13.313 -15.771 -22.001 1.00 53.01 C ATOM 1589 CG MET A 103 14.375 -14.871 -22.612 1.00 34.10 C ATOM 1590 SD MET A 103 15.543 -14.247 -21.389 1.00 44.12 S ATOM 1591 CE MET A 103 14.737 -12.726 -20.895 1.00 52.24 C ATOM 0 H MET A 103 11.471 -16.913 -20.826 1.00 73.34 H new ATOM 0 HA MET A 103 12.571 -14.387 -20.534 1.00 42.11 H new ATOM 0 HB2 MET A 103 13.781 -16.421 -21.261 1.00 53.01 H new ATOM 0 HB3 MET A 103 12.904 -16.416 -22.779 1.00 53.01 H new ATOM 0 HG2 MET A 103 14.918 -15.425 -23.378 1.00 34.10 H new ATOM 0 HG3 MET A 103 13.891 -14.030 -23.109 1.00 34.10 H new ATOM 0 HE1 MET A 103 15.486 -11.948 -20.751 1.00 52.24 H new ATOM 0 HE2 MET A 103 14.037 -12.416 -21.671 1.00 52.24 H new ATOM 0 HE3 MET A 103 14.197 -12.887 -19.962 1.00 52.24 H new ATOM 1601 N LYS A 104 10.573 -14.652 -23.131 1.00 23.14 N ATOM 1602 CA LYS A 104 9.855 -13.889 -24.144 1.00 51.31 C ATOM 1603 C LYS A 104 8.813 -12.978 -23.502 1.00 73.45 C ATOM 1604 O LYS A 104 8.496 -11.912 -24.031 1.00 23.40 O ATOM 1605 CB LYS A 104 9.178 -14.834 -25.140 1.00 4.23 C ATOM 1606 CG LYS A 104 10.107 -15.901 -25.692 1.00 71.32 C ATOM 1607 CD LYS A 104 11.132 -15.310 -26.645 1.00 52.24 C ATOM 1608 CE LYS A 104 12.395 -14.885 -25.912 1.00 60.13 C ATOM 1609 NZ LYS A 104 13.599 -14.972 -26.785 1.00 34.11 N ATOM 0 H LYS A 104 10.306 -15.635 -23.076 1.00 23.14 H new ATOM 0 HA LYS A 104 10.577 -13.268 -24.675 1.00 51.31 H new ATOM 0 HB2 LYS A 104 8.332 -15.318 -24.652 1.00 4.23 H new ATOM 0 HB3 LYS A 104 8.777 -14.249 -25.968 1.00 4.23 H new ATOM 0 HG2 LYS A 104 10.619 -16.400 -24.869 1.00 71.32 H new ATOM 0 HG3 LYS A 104 9.522 -16.661 -26.211 1.00 71.32 H new ATOM 0 HD2 LYS A 104 11.384 -16.044 -27.411 1.00 52.24 H new ATOM 0 HD3 LYS A 104 10.701 -14.450 -27.157 1.00 52.24 H new ATOM 0 HE2 LYS A 104 12.280 -13.862 -25.553 1.00 60.13 H new ATOM 0 HE3 LYS A 104 12.536 -15.517 -25.035 1.00 60.13 H new ATOM 0 HZ1 LYS A 104 14.439 -14.674 -26.249 1.00 34.11 H new ATOM 0 HZ2 LYS A 104 13.724 -15.953 -27.107 1.00 34.11 H new ATOM 0 HZ3 LYS A 104 13.476 -14.350 -27.609 1.00 34.11 H new ATOM 1623 N ARG A 105 8.284 -13.405 -22.360 1.00 51.03 N ATOM 1624 CA ARG A 105 7.278 -12.628 -21.647 1.00 13.31 C ATOM 1625 C ARG A 105 7.909 -11.417 -20.965 1.00 35.32 C ATOM 1626 O ARG A 105 7.261 -10.385 -20.783 1.00 64.40 O ATOM 1627 CB ARG A 105 6.570 -13.500 -20.609 1.00 20.34 C ATOM 1628 CG ARG A 105 5.285 -14.132 -21.118 1.00 61.42 C ATOM 1629 CD ARG A 105 5.013 -15.466 -20.439 1.00 53.44 C ATOM 1630 NE ARG A 105 3.884 -16.167 -21.044 1.00 73.23 N ATOM 1631 CZ ARG A 105 3.967 -16.853 -22.179 1.00 1.11 C ATOM 1632 NH1 ARG A 105 5.121 -16.929 -22.828 1.00 73.01 N ATOM 1633 NH2 ARG A 105 2.895 -17.465 -22.666 1.00 42.32 N ATOM 0 H ARG A 105 8.535 -14.285 -21.909 1.00 51.03 H new ATOM 0 HA ARG A 105 6.546 -12.274 -22.373 1.00 13.31 H new ATOM 0 HB2 ARG A 105 7.249 -14.289 -20.286 1.00 20.34 H new ATOM 0 HB3 ARG A 105 6.344 -12.894 -19.731 1.00 20.34 H new ATOM 0 HG2 ARG A 105 4.450 -13.455 -20.940 1.00 61.42 H new ATOM 0 HG3 ARG A 105 5.352 -14.278 -22.196 1.00 61.42 H new ATOM 0 HD2 ARG A 105 5.903 -16.092 -20.500 1.00 53.44 H new ATOM 0 HD3 ARG A 105 4.812 -15.300 -19.381 1.00 53.44 H new ATOM 0 HE ARG A 105 2.982 -16.128 -20.569 1.00 73.23 H new ATOM 0 HH11 ARG A 105 5.947 -16.460 -22.456 1.00 73.01 H new ATOM 0 HH12 ARG A 105 5.182 -17.456 -23.699 1.00 73.01 H new ATOM 0 HH21 ARG A 105 2.006 -17.409 -22.169 1.00 42.32 H new ATOM 0 HH22 ARG A 105 2.960 -17.991 -23.537 1.00 42.32 H new ATOM 1647 N THR A 106 9.177 -11.551 -20.588 1.00 54.20 N ATOM 1648 CA THR A 106 9.895 -10.470 -19.925 1.00 14.13 C ATOM 1649 C THR A 106 10.404 -9.447 -20.934 1.00 73.30 C ATOM 1650 O THR A 106 10.147 -8.250 -20.804 1.00 41.32 O ATOM 1651 CB THR A 106 11.086 -11.005 -19.108 1.00 31.11 C ATOM 1652 OG1 THR A 106 11.903 -11.848 -19.928 1.00 11.00 O ATOM 1653 CG2 THR A 106 10.603 -11.784 -17.894 1.00 22.22 C ATOM 0 H THR A 106 9.728 -12.398 -20.731 1.00 54.20 H new ATOM 0 HA THR A 106 9.188 -9.989 -19.250 1.00 14.13 H new ATOM 0 HB THR A 106 11.674 -10.154 -18.764 1.00 31.11 H new ATOM 0 HG1 THR A 106 12.540 -11.298 -20.430 1.00 11.00 H new ATOM 0 HG21 THR A 106 11.462 -12.152 -17.333 1.00 22.22 H new ATOM 0 HG22 THR A 106 10.006 -11.132 -17.257 1.00 22.22 H new ATOM 0 HG23 THR A 106 9.995 -12.627 -18.221 1.00 22.22 H new ATOM 1661 N THR A 107 11.127 -9.926 -21.942 1.00 33.23 N ATOM 1662 CA THR A 107 11.672 -9.053 -22.973 1.00 63.54 C ATOM 1663 C THR A 107 10.576 -8.217 -23.622 1.00 14.50 C ATOM 1664 O THR A 107 10.796 -7.063 -23.990 1.00 44.42 O ATOM 1665 CB THR A 107 12.400 -9.861 -24.065 1.00 53.32 C ATOM 1666 OG1 THR A 107 12.962 -8.973 -25.038 1.00 74.23 O ATOM 1667 CG2 THR A 107 11.446 -10.831 -24.747 1.00 3.33 C ATOM 0 H THR A 107 11.348 -10.914 -22.066 1.00 33.23 H new ATOM 0 HA THR A 107 12.386 -8.392 -22.482 1.00 63.54 H new ATOM 0 HB THR A 107 13.198 -10.433 -23.592 1.00 53.32 H new ATOM 0 HG1 THR A 107 13.424 -9.494 -25.728 1.00 74.23 H new ATOM 0 HG21 THR A 107 11.982 -11.390 -25.514 1.00 3.33 H new ATOM 0 HG22 THR A 107 11.042 -11.524 -24.009 1.00 3.33 H new ATOM 0 HG23 THR A 107 10.630 -10.275 -25.208 1.00 3.33 H new ATOM 1675 N LYS A 108 9.392 -8.804 -23.759 1.00 30.41 N ATOM 1676 CA LYS A 108 8.259 -8.113 -24.361 1.00 53.34 C ATOM 1677 C LYS A 108 7.819 -6.934 -23.498 1.00 61.35 C ATOM 1678 O LYS A 108 7.415 -5.891 -24.014 1.00 34.13 O ATOM 1679 CB LYS A 108 7.089 -9.080 -24.556 1.00 61.20 C ATOM 1680 CG LYS A 108 6.926 -9.557 -25.989 1.00 10.01 C ATOM 1681 CD LYS A 108 5.466 -9.794 -26.335 1.00 55.20 C ATOM 1682 CE LYS A 108 5.298 -10.218 -27.786 1.00 63.30 C ATOM 1683 NZ LYS A 108 5.363 -9.056 -28.715 1.00 31.12 N ATOM 0 H LYS A 108 9.192 -9.759 -23.460 1.00 30.41 H new ATOM 0 HA LYS A 108 8.573 -7.732 -25.333 1.00 53.34 H new ATOM 0 HB2 LYS A 108 7.232 -9.945 -23.908 1.00 61.20 H new ATOM 0 HB3 LYS A 108 6.168 -8.592 -24.238 1.00 61.20 H new ATOM 0 HG2 LYS A 108 7.347 -8.817 -26.670 1.00 10.01 H new ATOM 0 HG3 LYS A 108 7.489 -10.479 -26.133 1.00 10.01 H new ATOM 0 HD2 LYS A 108 5.056 -10.563 -25.680 1.00 55.20 H new ATOM 0 HD3 LYS A 108 4.895 -8.883 -26.153 1.00 55.20 H new ATOM 0 HE2 LYS A 108 6.076 -10.935 -28.047 1.00 63.30 H new ATOM 0 HE3 LYS A 108 4.342 -10.727 -27.907 1.00 63.30 H new ATOM 0 HZ1 LYS A 108 5.244 -9.387 -29.694 1.00 31.12 H new ATOM 0 HZ2 LYS A 108 4.605 -8.383 -28.483 1.00 31.12 H new ATOM 0 HZ3 LYS A 108 6.285 -8.585 -28.618 1.00 31.12 H new ATOM 1697 N LEU A 109 7.902 -7.106 -22.184 1.00 23.21 N ATOM 1698 CA LEU A 109 7.514 -6.056 -21.249 1.00 4.22 C ATOM 1699 C LEU A 109 8.581 -4.968 -21.179 1.00 3.11 C ATOM 1700 O LEU A 109 8.269 -3.786 -21.030 1.00 0.32 O ATOM 1701 CB LEU A 109 7.279 -6.646 -19.857 1.00 45.22 C ATOM 1702 CG LEU A 109 5.834 -7.012 -19.519 1.00 21.32 C ATOM 1703 CD1 LEU A 109 5.752 -7.636 -18.134 1.00 53.02 C ATOM 1704 CD2 LEU A 109 4.938 -5.786 -19.607 1.00 40.44 C ATOM 0 H LEU A 109 8.235 -7.963 -21.742 1.00 23.21 H new ATOM 0 HA LEU A 109 6.587 -5.608 -21.608 1.00 4.22 H new ATOM 0 HB2 LEU A 109 7.893 -7.541 -19.755 1.00 45.22 H new ATOM 0 HB3 LEU A 109 7.634 -5.930 -19.116 1.00 45.22 H new ATOM 0 HG LEU A 109 5.485 -7.744 -20.247 1.00 21.32 H new ATOM 0 HD11 LEU A 109 4.716 -7.890 -17.910 1.00 53.02 H new ATOM 0 HD12 LEU A 109 6.362 -8.539 -18.105 1.00 53.02 H new ATOM 0 HD13 LEU A 109 6.120 -6.926 -17.393 1.00 53.02 H new ATOM 0 HD21 LEU A 109 3.913 -6.066 -19.363 1.00 40.44 H new ATOM 0 HD22 LEU A 109 5.285 -5.030 -18.902 1.00 40.44 H new ATOM 0 HD23 LEU A 109 4.973 -5.382 -20.619 1.00 40.44 H new ATOM 1716 N LEU A 110 9.841 -5.374 -21.290 1.00 22.24 N ATOM 1717 CA LEU A 110 10.955 -4.434 -21.241 1.00 44.24 C ATOM 1718 C LEU A 110 11.036 -3.619 -22.528 1.00 42.22 C ATOM 1719 O LEU A 110 11.567 -2.508 -22.541 1.00 25.25 O ATOM 1720 CB LEU A 110 12.270 -5.182 -21.015 1.00 3.24 C ATOM 1721 CG LEU A 110 12.459 -5.802 -19.630 1.00 23.40 C ATOM 1722 CD1 LEU A 110 13.558 -6.853 -19.661 1.00 61.34 C ATOM 1723 CD2 LEU A 110 12.777 -4.726 -18.602 1.00 62.31 C ATOM 0 H LEU A 110 10.117 -6.348 -21.415 1.00 22.24 H new ATOM 0 HA LEU A 110 10.785 -3.751 -20.409 1.00 44.24 H new ATOM 0 HB2 LEU A 110 12.347 -5.974 -21.760 1.00 3.24 H new ATOM 0 HB3 LEU A 110 13.094 -4.492 -21.198 1.00 3.24 H new ATOM 0 HG LEU A 110 11.527 -6.288 -19.341 1.00 23.40 H new ATOM 0 HD11 LEU A 110 13.678 -7.283 -18.667 1.00 61.34 H new ATOM 0 HD12 LEU A 110 13.290 -7.639 -20.367 1.00 61.34 H new ATOM 0 HD13 LEU A 110 14.495 -6.391 -19.972 1.00 61.34 H new ATOM 0 HD21 LEU A 110 12.908 -5.186 -17.623 1.00 62.31 H new ATOM 0 HD22 LEU A 110 13.694 -4.211 -18.887 1.00 62.31 H new ATOM 0 HD23 LEU A 110 11.957 -4.010 -18.559 1.00 62.31 H new ATOM 1735 N LYS A 111 10.504 -4.177 -23.610 1.00 53.22 N ATOM 1736 CA LYS A 111 10.512 -3.502 -24.902 1.00 54.45 C ATOM 1737 C LYS A 111 9.760 -2.176 -24.828 1.00 64.14 C ATOM 1738 O LYS A 111 10.014 -1.262 -25.613 1.00 42.11 O ATOM 1739 CB LYS A 111 9.883 -4.397 -25.973 1.00 1.03 C ATOM 1740 CG LYS A 111 10.883 -5.298 -26.676 1.00 23.23 C ATOM 1741 CD LYS A 111 10.195 -6.465 -27.364 1.00 40.00 C ATOM 1742 CE LYS A 111 10.978 -6.936 -28.580 1.00 2.40 C ATOM 1743 NZ LYS A 111 10.209 -7.922 -29.388 1.00 33.14 N ATOM 0 H LYS A 111 10.061 -5.096 -23.618 1.00 53.22 H new ATOM 0 HA LYS A 111 11.549 -3.298 -25.170 1.00 54.45 H new ATOM 0 HB2 LYS A 111 9.112 -5.014 -25.512 1.00 1.03 H new ATOM 0 HB3 LYS A 111 9.388 -3.770 -26.714 1.00 1.03 H new ATOM 0 HG2 LYS A 111 11.442 -4.719 -27.411 1.00 23.23 H new ATOM 0 HG3 LYS A 111 11.605 -5.676 -25.952 1.00 23.23 H new ATOM 0 HD2 LYS A 111 10.084 -7.290 -26.660 1.00 40.00 H new ATOM 0 HD3 LYS A 111 9.191 -6.169 -27.669 1.00 40.00 H new ATOM 0 HE2 LYS A 111 11.234 -6.078 -29.202 1.00 2.40 H new ATOM 0 HE3 LYS A 111 11.916 -7.386 -28.256 1.00 2.40 H new ATOM 0 HZ1 LYS A 111 10.777 -8.218 -30.207 1.00 33.14 H new ATOM 0 HZ2 LYS A 111 9.987 -8.752 -28.803 1.00 33.14 H new ATOM 0 HZ3 LYS A 111 9.325 -7.485 -29.719 1.00 33.14 H new ATOM 1757 N LYS A 112 8.835 -2.078 -23.880 1.00 5.34 N ATOM 1758 CA LYS A 112 8.049 -0.863 -23.700 1.00 72.23 C ATOM 1759 C LYS A 112 8.816 0.165 -22.875 1.00 52.01 C ATOM 1760 O LYS A 112 8.650 1.371 -23.058 1.00 10.11 O ATOM 1761 CB LYS A 112 6.718 -1.189 -23.019 1.00 74.12 C ATOM 1762 CG LYS A 112 5.722 -1.886 -23.931 1.00 5.20 C ATOM 1763 CD LYS A 112 4.814 -2.822 -23.152 1.00 72.45 C ATOM 1764 CE LYS A 112 3.414 -2.863 -23.746 1.00 42.55 C ATOM 1765 NZ LYS A 112 2.472 -3.641 -22.895 1.00 44.20 N ATOM 0 H LYS A 112 8.611 -2.826 -23.224 1.00 5.34 H new ATOM 0 HA LYS A 112 7.853 -0.438 -24.684 1.00 72.23 H new ATOM 0 HB2 LYS A 112 6.909 -1.822 -22.152 1.00 74.12 H new ATOM 0 HB3 LYS A 112 6.274 -0.265 -22.648 1.00 74.12 H new ATOM 0 HG2 LYS A 112 5.119 -1.141 -24.450 1.00 5.20 H new ATOM 0 HG3 LYS A 112 6.259 -2.450 -24.694 1.00 5.20 H new ATOM 0 HD2 LYS A 112 5.239 -3.826 -23.151 1.00 72.45 H new ATOM 0 HD3 LYS A 112 4.760 -2.497 -22.113 1.00 72.45 H new ATOM 0 HE2 LYS A 112 3.040 -1.846 -23.865 1.00 42.55 H new ATOM 0 HE3 LYS A 112 3.455 -3.306 -24.741 1.00 42.55 H new ATOM 0 HZ1 LYS A 112 1.529 -3.645 -23.334 1.00 44.20 H new ATOM 0 HZ2 LYS A 112 2.815 -4.619 -22.802 1.00 44.20 H new ATOM 0 HZ3 LYS A 112 2.413 -3.204 -21.953 1.00 44.20 H new ATOM 1779 N VAL A 113 9.657 -0.320 -21.967 1.00 51.21 N ATOM 1780 CA VAL A 113 10.452 0.557 -21.116 1.00 14.33 C ATOM 1781 C VAL A 113 11.713 1.024 -21.833 1.00 41.41 C ATOM 1782 O VAL A 113 12.160 2.157 -21.652 1.00 51.13 O ATOM 1783 CB VAL A 113 10.850 -0.144 -19.804 1.00 24.42 C ATOM 1784 CG1 VAL A 113 11.317 0.873 -18.774 1.00 54.30 C ATOM 1785 CG2 VAL A 113 9.689 -0.966 -19.265 1.00 70.34 C ATOM 0 H VAL A 113 9.805 -1.316 -21.802 1.00 51.21 H new ATOM 0 HA VAL A 113 9.830 1.421 -20.883 1.00 14.33 H new ATOM 0 HB VAL A 113 11.679 -0.821 -20.012 1.00 24.42 H new ATOM 0 HG11 VAL A 113 11.594 0.358 -17.854 1.00 54.30 H new ATOM 0 HG12 VAL A 113 12.181 1.413 -19.162 1.00 54.30 H new ATOM 0 HG13 VAL A 113 10.511 1.578 -18.567 1.00 54.30 H new ATOM 0 HG21 VAL A 113 9.988 -1.454 -18.338 1.00 70.34 H new ATOM 0 HG22 VAL A 113 8.839 -0.312 -19.073 1.00 70.34 H new ATOM 0 HG23 VAL A 113 9.407 -1.722 -19.998 1.00 70.34 H new ATOM 1795 N VAL A 114 12.284 0.144 -22.649 1.00 74.33 N ATOM 1796 CA VAL A 114 13.494 0.466 -23.396 1.00 75.13 C ATOM 1797 C VAL A 114 13.219 1.526 -24.457 1.00 75.42 C ATOM 1798 O VAL A 114 14.144 2.091 -25.039 1.00 45.02 O ATOM 1799 CB VAL A 114 14.083 -0.784 -24.076 1.00 21.31 C ATOM 1800 CG1 VAL A 114 13.164 -1.273 -25.185 1.00 33.23 C ATOM 1801 CG2 VAL A 114 15.474 -0.490 -24.616 1.00 63.25 C ATOM 0 H VAL A 114 11.928 -0.798 -22.810 1.00 74.33 H new ATOM 0 HA VAL A 114 14.216 0.854 -22.677 1.00 75.13 H new ATOM 0 HB VAL A 114 14.166 -1.576 -23.332 1.00 21.31 H new ATOM 0 HG11 VAL A 114 13.597 -2.157 -25.653 1.00 33.23 H new ATOM 0 HG12 VAL A 114 12.190 -1.525 -24.766 1.00 33.23 H new ATOM 0 HG13 VAL A 114 13.045 -0.488 -25.932 1.00 33.23 H new ATOM 0 HG21 VAL A 114 15.875 -1.384 -25.093 1.00 63.25 H new ATOM 0 HG22 VAL A 114 15.418 0.317 -25.346 1.00 63.25 H new ATOM 0 HG23 VAL A 114 16.127 -0.192 -23.796 1.00 63.25 H new ATOM 1811 N ASP A 115 11.940 1.790 -24.704 1.00 3.35 N ATOM 1812 CA ASP A 115 11.542 2.784 -25.694 1.00 3.12 C ATOM 1813 C ASP A 115 11.784 4.197 -25.173 1.00 13.42 C ATOM 1814 O ASP A 115 12.581 4.950 -25.733 1.00 61.32 O ATOM 1815 CB ASP A 115 10.068 2.607 -26.061 1.00 1.40 C ATOM 1816 CG ASP A 115 9.691 3.361 -27.321 1.00 60.13 C ATOM 1817 OD1 ASP A 115 10.222 4.472 -27.529 1.00 71.21 O ATOM 1818 OD2 ASP A 115 8.864 2.840 -28.100 1.00 4.25 O ATOM 0 H ASP A 115 11.162 1.329 -24.232 1.00 3.35 H new ATOM 0 HA ASP A 115 12.150 2.637 -26.586 1.00 3.12 H new ATOM 0 HB2 ASP A 115 9.855 1.547 -26.198 1.00 1.40 H new ATOM 0 HB3 ASP A 115 9.447 2.952 -25.235 1.00 1.40 H new ATOM 1823 N LYS A 116 11.089 4.553 -24.097 1.00 71.35 N ATOM 1824 CA LYS A 116 11.227 5.875 -23.499 1.00 52.45 C ATOM 1825 C LYS A 116 12.256 5.859 -22.373 1.00 74.15 C ATOM 1826 O LYS A 116 13.166 6.688 -22.338 1.00 72.34 O ATOM 1827 CB LYS A 116 9.877 6.359 -22.964 1.00 60.13 C ATOM 1828 CG LYS A 116 8.837 6.580 -24.049 1.00 34.44 C ATOM 1829 CD LYS A 116 7.956 5.355 -24.234 1.00 45.05 C ATOM 1830 CE LYS A 116 6.800 5.344 -23.246 1.00 41.55 C ATOM 1831 NZ LYS A 116 5.689 6.234 -23.684 1.00 74.40 N ATOM 0 H LYS A 116 10.424 3.943 -23.621 1.00 71.35 H new ATOM 0 HA LYS A 116 11.572 6.561 -24.272 1.00 52.45 H new ATOM 0 HB2 LYS A 116 9.496 5.629 -22.250 1.00 60.13 H new ATOM 0 HB3 LYS A 116 10.025 7.291 -22.419 1.00 60.13 H new ATOM 0 HG2 LYS A 116 8.218 7.439 -23.791 1.00 34.44 H new ATOM 0 HG3 LYS A 116 9.335 6.817 -24.989 1.00 34.44 H new ATOM 0 HD2 LYS A 116 7.566 5.337 -25.252 1.00 45.05 H new ATOM 0 HD3 LYS A 116 8.554 4.453 -24.105 1.00 45.05 H new ATOM 0 HE2 LYS A 116 6.427 4.326 -23.134 1.00 41.55 H new ATOM 0 HE3 LYS A 116 7.156 5.663 -22.266 1.00 41.55 H new ATOM 0 HZ1 LYS A 116 4.920 6.199 -22.985 1.00 74.40 H new ATOM 0 HZ2 LYS A 116 6.038 7.210 -23.767 1.00 74.40 H new ATOM 0 HZ3 LYS A 116 5.332 5.915 -24.607 1.00 74.40 H new ATOM 1845 N HIS A 117 12.106 4.909 -21.455 1.00 42.42 N ATOM 1846 CA HIS A 117 13.024 4.784 -20.329 1.00 2.13 C ATOM 1847 C HIS A 117 14.408 4.349 -20.801 1.00 70.44 C ATOM 1848 O HIS A 117 15.409 4.589 -20.128 1.00 0.00 O ATOM 1849 CB HIS A 117 12.481 3.781 -19.310 1.00 44.13 C ATOM 1850 CG HIS A 117 12.701 4.194 -17.887 1.00 61.25 C ATOM 1851 ND1 HIS A 117 13.923 4.615 -17.406 1.00 53.01 N ATOM 1852 CD2 HIS A 117 11.846 4.250 -16.840 1.00 31.02 C ATOM 1853 CE1 HIS A 117 13.810 4.911 -16.124 1.00 32.35 C ATOM 1854 NE2 HIS A 117 12.559 4.698 -15.755 1.00 42.24 N ATOM 0 H HIS A 117 11.358 4.215 -21.469 1.00 42.42 H new ATOM 0 HA HIS A 117 13.112 5.761 -19.854 1.00 2.13 H new ATOM 0 HB2 HIS A 117 11.413 3.646 -19.479 1.00 44.13 H new ATOM 0 HB3 HIS A 117 12.955 2.814 -19.476 1.00 44.13 H new ATOM 0 HD1 HIS A 117 14.780 4.687 -17.955 1.00 53.01 H new ATOM 0 HD2 HIS A 117 10.798 3.991 -16.855 1.00 31.02 H new ATOM 0 HE1 HIS A 117 14.605 5.267 -15.485 1.00 32.35 H new ATOM 1862 N GLY A 118 14.456 3.706 -21.964 1.00 72.43 N ATOM 1863 CA GLY A 118 15.721 3.246 -22.506 1.00 41.24 C ATOM 1864 C GLY A 118 16.296 2.079 -21.728 1.00 74.14 C ATOM 1865 O GLY A 118 17.425 1.655 -21.976 1.00 72.14 O ATOM 0 H GLY A 118 13.641 3.496 -22.540 1.00 72.43 H new ATOM 0 HA2 GLY A 118 15.581 2.951 -23.546 1.00 41.24 H new ATOM 0 HA3 GLY A 118 16.436 4.069 -22.501 1.00 41.24 H new ATOM 1869 N ILE A 119 15.518 1.559 -20.784 1.00 42.44 N ATOM 1870 CA ILE A 119 15.957 0.435 -19.968 1.00 20.35 C ATOM 1871 C ILE A 119 16.227 -0.796 -20.826 1.00 62.13 C ATOM 1872 O ILE A 119 15.302 -1.417 -21.348 1.00 54.44 O ATOM 1873 CB ILE A 119 14.913 0.078 -18.893 1.00 72.01 C ATOM 1874 CG1 ILE A 119 14.772 1.223 -17.888 1.00 31.22 C ATOM 1875 CG2 ILE A 119 15.301 -1.211 -18.185 1.00 32.40 C ATOM 1876 CD1 ILE A 119 16.029 1.482 -17.087 1.00 33.42 C ATOM 0 H ILE A 119 14.581 1.898 -20.566 1.00 42.44 H new ATOM 0 HA ILE A 119 16.881 0.743 -19.478 1.00 20.35 H new ATOM 0 HB ILE A 119 13.950 -0.074 -19.380 1.00 72.01 H new ATOM 0 HG12 ILE A 119 14.497 2.133 -18.422 1.00 31.22 H new ATOM 0 HG13 ILE A 119 13.955 0.996 -17.203 1.00 31.22 H new ATOM 0 HG21 ILE A 119 14.554 -1.450 -17.428 1.00 32.40 H new ATOM 0 HG22 ILE A 119 15.355 -2.023 -18.911 1.00 32.40 H new ATOM 0 HG23 ILE A 119 16.273 -1.086 -17.708 1.00 32.40 H new ATOM 0 HD11 ILE A 119 15.856 2.306 -16.395 1.00 33.42 H new ATOM 0 HD12 ILE A 119 16.293 0.586 -16.525 1.00 33.42 H new ATOM 0 HD13 ILE A 119 16.844 1.740 -17.763 1.00 33.42 H new ATOM 1888 N ALA A 120 17.502 -1.145 -20.967 1.00 10.42 N ATOM 1889 CA ALA A 120 17.894 -2.304 -21.759 1.00 3.42 C ATOM 1890 C ALA A 120 17.474 -3.602 -21.078 1.00 14.41 C ATOM 1891 O ALA A 120 17.246 -3.633 -19.868 1.00 35.40 O ATOM 1892 CB ALA A 120 19.397 -2.294 -21.999 1.00 74.45 C ATOM 0 H ALA A 120 18.281 -0.641 -20.543 1.00 10.42 H new ATOM 0 HA ALA A 120 17.383 -2.247 -22.720 1.00 3.42 H new ATOM 0 HB1 ALA A 120 19.677 -3.165 -22.592 1.00 74.45 H new ATOM 0 HB2 ALA A 120 19.674 -1.386 -22.535 1.00 74.45 H new ATOM 0 HB3 ALA A 120 19.918 -2.324 -21.042 1.00 74.45 H new