USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 775 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 51 SER OG : rot 83:sc= 0.641 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -169:sc= 0.714 (180deg=0) USER MOD Set 2.1: A 42 ASN : amide:sc= -0.142 K(o=-0.17,f=-4.8!) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.0259 K(o=-0.17,f=-1.5) USER MOD Set 3.1: A 14 SER OG : rot 84:sc= 1.21 USER MOD Set 3.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 GLN : amide:sc= 0.524 K(o=0.98,f=-0.034) USER MOD Set 4.2: A 3 GLN : amide:sc= 0.454 K(o=0.98,f=-0.46) USER MOD Single : A 1 SER N :NH3+ -178:sc= -0.203 (180deg=-0.217) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 4 SER OG : rot 180:sc= -0.427 USER MOD Single : A 5 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.59) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 20 ASN : amide:sc=-0.00551 X(o=-0.0055,f=-0.11) USER MOD Single : A 31 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5.8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.000109 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 66 GLN : amide:sc= 0.293 K(o=0.29,f=-3.9!) USER MOD Single : A 73 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.01) USER MOD Single : A 80 SER OG : rot -45:sc= 1.15 USER MOD Single : A 89 GLN : amide:sc= 0.803 K(o=0.8,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= 0.415 (180deg=-0.476) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 26.513 45.520 -3.496 1.00 25.00 N ATOM 2 CA SER A 1 25.860 44.208 -3.727 1.00 25.00 C ATOM 3 C SER A 1 24.378 44.213 -3.431 1.00 25.00 C ATOM 4 O SER A 1 23.595 43.351 -3.771 1.00 25.00 O ATOM 5 CB SER A 1 26.588 43.163 -2.870 1.00 25.00 C ATOM 6 OG SER A 1 27.986 43.466 -2.913 1.00 25.00 O ATOM 0 H1 SER A 1 27.520 45.456 -3.750 1.00 25.00 H new ATOM 0 H2 SER A 1 26.053 46.245 -4.083 1.00 25.00 H new ATOM 0 H3 SER A 1 26.425 45.780 -2.493 1.00 25.00 H new ATOM 0 HA SER A 1 25.937 43.967 -4.787 1.00 25.00 H new ATOM 0 HB2 SER A 1 26.222 43.188 -1.843 1.00 25.00 H new ATOM 0 HB3 SER A 1 26.402 42.159 -3.251 1.00 25.00 H new ATOM 0 HG SER A 1 28.479 42.814 -2.372 1.00 25.00 H new ATOM 14 N GLN A 2 23.973 45.318 -2.810 1.00 25.00 N ATOM 15 CA GLN A 2 22.575 45.545 -2.428 1.00 25.00 C ATOM 16 C GLN A 2 21.627 45.476 -3.635 1.00 25.00 C ATOM 17 O GLN A 2 20.512 44.980 -3.523 1.00 25.00 O ATOM 18 CB GLN A 2 22.436 46.896 -1.703 1.00 25.00 C ATOM 19 CG GLN A 2 23.033 48.095 -2.449 1.00 25.00 C ATOM 20 CD GLN A 2 22.805 49.398 -1.724 1.00 25.00 C ATOM 21 OE1 GLN A 2 23.664 49.883 -1.013 1.00 25.00 O ATOM 22 NE2 GLN A 2 21.651 49.977 -1.916 1.00 25.00 N ATOM 0 H GLN A 2 24.600 46.082 -2.556 1.00 25.00 H new ATOM 0 HA GLN A 2 22.285 44.744 -1.748 1.00 25.00 H new ATOM 0 HB2 GLN A 2 21.378 47.088 -1.524 1.00 25.00 H new ATOM 0 HB3 GLN A 2 22.915 46.819 -0.727 1.00 25.00 H new ATOM 0 HG2 GLN A 2 24.104 47.940 -2.582 1.00 25.00 H new ATOM 0 HG3 GLN A 2 22.593 48.155 -3.445 1.00 25.00 H new ATOM 0 HE21 GLN A 2 20.955 49.539 -2.520 1.00 25.00 H new ATOM 0 HE22 GLN A 2 21.445 50.867 -1.462 1.00 25.00 H new ATOM 31 N GLN A 3 22.090 45.914 -4.800 1.00 25.00 N ATOM 32 CA GLN A 3 21.268 45.865 -6.008 1.00 25.00 C ATOM 33 C GLN A 3 21.604 44.654 -6.874 1.00 25.00 C ATOM 34 O GLN A 3 20.998 44.458 -7.912 1.00 25.00 O ATOM 35 CB GLN A 3 21.437 47.140 -6.846 1.00 25.00 C ATOM 36 CG GLN A 3 21.179 48.459 -6.096 1.00 25.00 C ATOM 37 CD GLN A 3 19.923 48.439 -5.235 1.00 25.00 C ATOM 38 OE1 GLN A 3 19.985 48.671 -4.037 1.00 25.00 O ATOM 39 NE2 GLN A 3 18.791 48.183 -5.841 1.00 25.00 N ATOM 0 H GLN A 3 23.022 46.305 -4.936 1.00 25.00 H new ATOM 0 HA GLN A 3 20.233 45.783 -5.675 1.00 25.00 H new ATOM 0 HB2 GLN A 3 22.451 47.161 -7.246 1.00 25.00 H new ATOM 0 HB3 GLN A 3 20.760 47.087 -7.698 1.00 25.00 H new ATOM 0 HG2 GLN A 3 22.039 48.681 -5.464 1.00 25.00 H new ATOM 0 HG3 GLN A 3 21.099 49.269 -6.821 1.00 25.00 H new ATOM 0 HE21 GLN A 3 18.780 47.994 -6.843 1.00 25.00 H new ATOM 0 HE22 GLN A 3 17.920 48.172 -5.311 1.00 25.00 H new ATOM 48 N SER A 4 22.583 43.861 -6.462 1.00 25.00 N ATOM 49 CA SER A 4 22.976 42.685 -7.243 1.00 25.00 C ATOM 50 C SER A 4 21.949 41.578 -7.069 1.00 25.00 C ATOM 51 O SER A 4 21.679 40.831 -7.992 1.00 25.00 O ATOM 52 CB SER A 4 24.345 42.165 -6.808 1.00 25.00 C ATOM 53 OG SER A 4 25.328 43.182 -6.918 1.00 25.00 O ATOM 0 H SER A 4 23.116 44.003 -5.604 1.00 25.00 H new ATOM 0 HA SER A 4 23.030 42.984 -8.290 1.00 25.00 H new ATOM 0 HB2 SER A 4 24.294 41.812 -5.778 1.00 25.00 H new ATOM 0 HB3 SER A 4 24.628 41.312 -7.424 1.00 25.00 H new ATOM 0 HG SER A 4 26.197 42.829 -6.633 1.00 25.00 H new ATOM 59 N HIS A 5 21.372 41.494 -5.876 1.00 25.00 N ATOM 60 CA HIS A 5 20.326 40.503 -5.615 1.00 25.00 C ATOM 61 C HIS A 5 18.952 41.162 -5.784 1.00 25.00 C ATOM 62 O HIS A 5 18.046 40.568 -6.350 1.00 25.00 O ATOM 63 CB HIS A 5 20.482 39.879 -4.214 1.00 25.00 C ATOM 64 CG HIS A 5 19.999 40.753 -3.097 1.00 25.00 C ATOM 65 ND1 HIS A 5 20.710 41.800 -2.561 1.00 25.00 N ATOM 66 CD2 HIS A 5 18.829 40.724 -2.398 1.00 25.00 C ATOM 67 CE1 HIS A 5 19.968 42.354 -1.605 1.00 25.00 C ATOM 68 NE2 HIS A 5 18.813 41.736 -1.463 1.00 25.00 N ATOM 0 H HIS A 5 21.604 42.090 -5.081 1.00 25.00 H new ATOM 0 HA HIS A 5 20.420 39.689 -6.334 1.00 25.00 H new ATOM 0 HB2 HIS A 5 19.936 38.936 -4.185 1.00 25.00 H new ATOM 0 HB3 HIS A 5 21.533 39.644 -4.048 1.00 25.00 H new ATOM 0 HD2 HIS A 5 18.032 40.012 -2.554 1.00 25.00 H new ATOM 0 HE1 HIS A 5 20.275 43.206 -1.017 1.00 25.00 H new ATOM 0 HE2 HIS A 5 18.068 41.959 -0.803 1.00 25.00 H new ATOM 76 N SER A 6 18.842 42.405 -5.313 1.00 25.00 N ATOM 77 CA SER A 6 17.631 43.245 -5.375 1.00 25.00 C ATOM 78 C SER A 6 16.374 42.744 -4.623 1.00 25.00 C ATOM 79 O SER A 6 15.629 43.559 -4.080 1.00 25.00 O ATOM 80 CB SER A 6 17.282 43.568 -6.832 1.00 25.00 C ATOM 81 OG SER A 6 17.013 44.957 -6.977 1.00 25.00 O ATOM 0 H SER A 6 19.622 42.879 -4.858 1.00 25.00 H new ATOM 0 HA SER A 6 17.918 44.139 -4.821 1.00 25.00 H new ATOM 0 HB2 SER A 6 18.107 43.280 -7.483 1.00 25.00 H new ATOM 0 HB3 SER A 6 16.413 42.988 -7.143 1.00 25.00 H new ATOM 0 HG SER A 6 16.793 45.152 -7.912 1.00 25.00 H new ATOM 87 N SER A 7 16.145 41.438 -4.571 1.00 25.00 N ATOM 88 CA SER A 7 14.998 40.866 -3.863 1.00 25.00 C ATOM 89 C SER A 7 15.329 39.447 -3.384 1.00 25.00 C ATOM 90 O SER A 7 16.180 38.781 -3.972 1.00 25.00 O ATOM 91 CB SER A 7 13.792 40.807 -4.806 1.00 25.00 C ATOM 92 OG SER A 7 14.110 40.074 -5.976 1.00 25.00 O ATOM 0 H SER A 7 16.745 40.744 -5.016 1.00 25.00 H new ATOM 0 HA SER A 7 14.766 41.493 -3.002 1.00 25.00 H new ATOM 0 HB2 SER A 7 12.948 40.342 -4.297 1.00 25.00 H new ATOM 0 HB3 SER A 7 13.484 41.817 -5.076 1.00 25.00 H new ATOM 0 HG SER A 7 13.328 40.045 -6.566 1.00 25.00 H new ATOM 98 N PRO A 8 14.669 38.970 -2.308 1.00 25.00 N ATOM 99 CA PRO A 8 14.901 37.589 -1.870 1.00 25.00 C ATOM 100 C PRO A 8 14.120 36.573 -2.700 1.00 25.00 C ATOM 101 O PRO A 8 13.265 36.954 -3.499 1.00 25.00 O ATOM 102 CB PRO A 8 14.382 37.615 -0.435 1.00 25.00 C ATOM 103 CG PRO A 8 13.231 38.538 -0.501 1.00 25.00 C ATOM 104 CD PRO A 8 13.691 39.641 -1.427 1.00 25.00 C ATOM 0 HA PRO A 8 15.943 37.287 -1.971 1.00 25.00 H new ATOM 0 HB2 PRO A 8 14.082 36.623 -0.099 1.00 25.00 H new ATOM 0 HB3 PRO A 8 15.142 37.971 0.260 1.00 25.00 H new ATOM 0 HG2 PRO A 8 12.342 38.039 -0.887 1.00 25.00 H new ATOM 0 HG3 PRO A 8 12.975 38.927 0.485 1.00 25.00 H new ATOM 0 HD2 PRO A 8 12.860 40.060 -1.995 1.00 25.00 H new ATOM 0 HD3 PRO A 8 14.146 40.464 -0.876 1.00 25.00 H new ATOM 112 N GLY A 9 14.347 35.289 -2.431 1.00 25.00 N ATOM 113 CA GLY A 9 13.511 34.236 -3.006 1.00 25.00 C ATOM 114 C GLY A 9 14.117 33.186 -3.921 1.00 25.00 C ATOM 115 O GLY A 9 13.399 32.596 -4.724 1.00 25.00 O ATOM 0 H GLY A 9 15.095 34.954 -1.824 1.00 25.00 H new ATOM 0 HA2 GLY A 9 13.042 33.708 -2.176 1.00 25.00 H new ATOM 0 HA3 GLY A 9 12.713 34.727 -3.563 1.00 25.00 H new ATOM 119 N GLU A 10 15.395 32.874 -3.767 1.00 25.00 N ATOM 120 CA GLU A 10 16.029 31.805 -4.566 1.00 25.00 C ATOM 121 C GLU A 10 16.097 30.513 -3.725 1.00 25.00 C ATOM 122 O GLU A 10 16.975 29.667 -3.890 1.00 25.00 O ATOM 123 CB GLU A 10 17.408 32.239 -5.117 1.00 25.00 C ATOM 124 CG GLU A 10 17.862 31.377 -6.335 1.00 25.00 C ATOM 125 CD GLU A 10 18.917 32.049 -7.222 1.00 25.00 C ATOM 126 OE1 GLU A 10 18.631 33.118 -7.792 1.00 25.00 O ATOM 127 OE2 GLU A 10 20.007 31.454 -7.422 1.00 25.00 O ATOM 0 H GLU A 10 16.020 33.334 -3.105 1.00 25.00 H new ATOM 0 HA GLU A 10 15.418 31.604 -5.446 1.00 25.00 H new ATOM 0 HB2 GLU A 10 17.364 33.287 -5.414 1.00 25.00 H new ATOM 0 HB3 GLU A 10 18.153 32.163 -4.325 1.00 25.00 H new ATOM 0 HG2 GLU A 10 18.261 30.431 -5.968 1.00 25.00 H new ATOM 0 HG3 GLU A 10 16.989 31.140 -6.944 1.00 25.00 H new ATOM 134 N ILE A 11 15.110 30.356 -2.847 1.00 25.00 N ATOM 135 CA ILE A 11 14.966 29.214 -1.964 1.00 25.00 C ATOM 136 C ILE A 11 14.731 27.895 -2.685 1.00 25.00 C ATOM 137 O ILE A 11 14.761 26.808 -2.114 1.00 25.00 O ATOM 138 CB ILE A 11 13.748 29.452 -0.984 1.00 25.00 C ATOM 139 CG1 ILE A 11 13.568 30.956 -0.637 1.00 25.00 C ATOM 140 CG2 ILE A 11 13.960 28.675 0.276 1.00 25.00 C ATOM 141 CD1 ILE A 11 12.313 31.281 0.195 1.00 25.00 C ATOM 0 H ILE A 11 14.367 31.045 -2.731 1.00 25.00 H new ATOM 0 HA ILE A 11 15.914 29.133 -1.432 1.00 25.00 H new ATOM 0 HB ILE A 11 12.844 29.114 -1.491 1.00 25.00 H new ATOM 0 HG12 ILE A 11 14.447 31.296 -0.090 1.00 25.00 H new ATOM 0 HG13 ILE A 11 13.529 31.526 -1.565 1.00 25.00 H new ATOM 0 HG21 ILE A 11 13.120 28.840 0.951 1.00 25.00 H new ATOM 0 HG22 ILE A 11 14.034 27.613 0.041 1.00 25.00 H new ATOM 0 HG23 ILE A 11 14.881 29.005 0.756 1.00 25.00 H new ATOM 0 HD11 ILE A 11 12.272 32.353 0.388 1.00 25.00 H new ATOM 0 HD12 ILE A 11 11.423 30.977 -0.356 1.00 25.00 H new ATOM 0 HD13 ILE A 11 12.355 30.743 1.142 1.00 25.00 H new ATOM 153 N THR A 12 14.460 28.027 -3.956 1.00 25.00 N ATOM 154 CA THR A 12 14.120 26.897 -4.811 1.00 25.00 C ATOM 155 C THR A 12 15.367 26.130 -5.242 1.00 25.00 C ATOM 156 O THR A 12 15.515 24.953 -4.928 1.00 25.00 O ATOM 157 CB THR A 12 13.362 27.384 -6.056 1.00 25.00 C ATOM 158 OG1 THR A 12 14.016 28.541 -6.584 1.00 25.00 O ATOM 159 CG2 THR A 12 11.941 27.786 -5.693 1.00 25.00 C ATOM 0 H THR A 12 14.466 28.924 -4.441 1.00 25.00 H new ATOM 0 HA THR A 12 13.485 26.225 -4.234 1.00 25.00 H new ATOM 0 HB THR A 12 13.345 26.573 -6.784 1.00 25.00 H new ATOM 0 HG1 THR A 12 13.536 28.854 -7.379 1.00 25.00 H new ATOM 0 HG21 THR A 12 11.420 28.128 -6.587 1.00 25.00 H new ATOM 0 HG22 THR A 12 11.416 26.928 -5.273 1.00 25.00 H new ATOM 0 HG23 THR A 12 11.967 28.591 -4.958 1.00 25.00 H new ATOM 167 N SER A 13 16.250 26.795 -5.976 1.00 25.00 N ATOM 168 CA SER A 13 17.475 26.178 -6.471 1.00 25.00 C ATOM 169 C SER A 13 18.353 27.242 -7.095 1.00 25.00 C ATOM 170 O SER A 13 17.844 28.182 -7.692 1.00 25.00 O ATOM 171 CB SER A 13 17.149 25.144 -7.560 1.00 25.00 C ATOM 172 OG SER A 13 16.525 25.772 -8.670 1.00 25.00 O ATOM 0 H SER A 13 16.139 27.773 -6.244 1.00 25.00 H new ATOM 0 HA SER A 13 17.980 25.694 -5.635 1.00 25.00 H new ATOM 0 HB2 SER A 13 18.063 24.646 -7.883 1.00 25.00 H new ATOM 0 HB3 SER A 13 16.493 24.374 -7.154 1.00 25.00 H new ATOM 0 HG SER A 13 16.325 25.101 -9.356 1.00 25.00 H new ATOM 178 N SER A 14 19.659 27.026 -7.056 1.00 25.00 N ATOM 179 CA SER A 14 20.612 27.893 -7.752 1.00 25.00 C ATOM 180 C SER A 14 21.546 27.019 -8.589 1.00 25.00 C ATOM 181 O SER A 14 22.683 26.768 -8.197 1.00 25.00 O ATOM 182 CB SER A 14 21.413 28.727 -6.748 1.00 25.00 C ATOM 183 OG SER A 14 22.099 29.779 -7.414 1.00 25.00 O ATOM 0 H SER A 14 20.090 26.254 -6.548 1.00 25.00 H new ATOM 0 HA SER A 14 20.074 28.583 -8.402 1.00 25.00 H new ATOM 0 HB2 SER A 14 20.744 29.141 -5.994 1.00 25.00 H new ATOM 0 HB3 SER A 14 22.128 28.091 -6.226 1.00 25.00 H new ATOM 0 HG SER A 14 21.494 30.540 -7.533 1.00 25.00 H new ATOM 189 N PRO A 15 21.067 26.497 -9.737 1.00 25.00 N ATOM 190 CA PRO A 15 21.956 25.586 -10.470 1.00 25.00 C ATOM 191 C PRO A 15 23.176 26.290 -11.053 1.00 25.00 C ATOM 192 O PRO A 15 24.256 25.716 -11.127 1.00 25.00 O ATOM 193 CB PRO A 15 21.045 25.018 -11.561 1.00 25.00 C ATOM 194 CG PRO A 15 20.026 26.080 -11.792 1.00 25.00 C ATOM 195 CD PRO A 15 19.761 26.645 -10.416 1.00 25.00 C ATOM 0 HA PRO A 15 22.388 24.819 -9.827 1.00 25.00 H new ATOM 0 HB2 PRO A 15 21.604 24.801 -12.471 1.00 25.00 H new ATOM 0 HB3 PRO A 15 20.580 24.085 -11.243 1.00 25.00 H new ATOM 0 HG2 PRO A 15 20.397 26.846 -12.473 1.00 25.00 H new ATOM 0 HG3 PRO A 15 19.118 25.671 -12.236 1.00 25.00 H new ATOM 0 HD2 PRO A 15 19.446 27.687 -10.462 1.00 25.00 H new ATOM 0 HD3 PRO A 15 18.973 26.096 -9.899 1.00 25.00 H new ATOM 203 N GLN A 16 23.022 27.560 -11.399 1.00 25.00 N ATOM 204 CA GLN A 16 24.131 28.358 -11.906 1.00 25.00 C ATOM 205 C GLN A 16 25.135 28.654 -10.787 1.00 25.00 C ATOM 206 O GLN A 16 26.317 28.849 -11.034 1.00 25.00 O ATOM 207 CB GLN A 16 23.598 29.657 -12.527 1.00 25.00 C ATOM 208 CG GLN A 16 22.824 30.576 -11.555 1.00 25.00 C ATOM 209 CD GLN A 16 22.136 31.726 -12.270 1.00 25.00 C ATOM 210 OE1 GLN A 16 22.361 31.963 -13.444 1.00 25.00 O ATOM 211 NE2 GLN A 16 21.282 32.429 -11.571 1.00 25.00 N ATOM 0 H GLN A 16 22.136 28.062 -11.338 1.00 25.00 H new ATOM 0 HA GLN A 16 24.651 27.793 -12.680 1.00 25.00 H new ATOM 0 HB2 GLN A 16 24.438 30.216 -12.940 1.00 25.00 H new ATOM 0 HB3 GLN A 16 22.944 29.402 -13.361 1.00 25.00 H new ATOM 0 HG2 GLN A 16 22.080 29.988 -11.018 1.00 25.00 H new ATOM 0 HG3 GLN A 16 23.513 30.975 -10.810 1.00 25.00 H new ATOM 0 HE21 GLN A 16 21.118 32.203 -10.590 1.00 25.00 H new ATOM 0 HE22 GLN A 16 20.781 33.203 -12.007 1.00 25.00 H new ATOM 220 N GLY A 17 24.668 28.652 -9.545 1.00 25.00 N ATOM 221 CA GLY A 17 25.550 28.898 -8.418 1.00 25.00 C ATOM 222 C GLY A 17 26.424 27.699 -8.107 1.00 25.00 C ATOM 223 O GLY A 17 27.478 27.842 -7.491 1.00 25.00 O ATOM 0 H GLY A 17 23.693 28.484 -9.297 1.00 25.00 H new ATOM 0 HA2 GLY A 17 26.181 29.760 -8.633 1.00 25.00 H new ATOM 0 HA3 GLY A 17 24.955 29.150 -7.540 1.00 25.00 H new ATOM 227 N LEU A 18 25.996 26.513 -8.527 1.00 25.00 N ATOM 228 CA LEU A 18 26.779 25.298 -8.285 1.00 25.00 C ATOM 229 C LEU A 18 28.071 25.349 -9.080 1.00 25.00 C ATOM 230 O LEU A 18 29.128 24.966 -8.588 1.00 25.00 O ATOM 231 CB LEU A 18 26.004 24.040 -8.691 1.00 25.00 C ATOM 232 CG LEU A 18 24.655 23.806 -7.999 1.00 25.00 C ATOM 233 CD1 LEU A 18 24.009 22.546 -8.564 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.797 23.674 -6.477 1.00 25.00 C ATOM 0 H LEU A 18 25.122 26.363 -9.031 1.00 25.00 H new ATOM 0 HA LEU A 18 26.990 25.251 -7.217 1.00 25.00 H new ATOM 0 HB2 LEU A 18 25.832 24.079 -9.767 1.00 25.00 H new ATOM 0 HB3 LEU A 18 26.638 23.174 -8.501 1.00 25.00 H new ATOM 0 HG LEU A 18 24.028 24.676 -8.194 1.00 25.00 H new ATOM 0 HD11 LEU A 18 23.050 22.378 -8.074 1.00 25.00 H new ATOM 0 HD12 LEU A 18 23.852 22.667 -9.636 1.00 25.00 H new ATOM 0 HD13 LEU A 18 24.662 21.691 -8.387 1.00 25.00 H new ATOM 0 HD21 LEU A 18 23.815 23.510 -6.033 1.00 25.00 H new ATOM 0 HD22 LEU A 18 25.447 22.830 -6.244 1.00 25.00 H new ATOM 0 HD23 LEU A 18 25.230 24.588 -6.071 1.00 25.00 H new ATOM 246 N ASP A 19 27.956 25.817 -10.314 1.00 25.00 N ATOM 247 CA ASP A 19 29.099 25.901 -11.224 1.00 25.00 C ATOM 248 C ASP A 19 29.923 27.145 -10.910 1.00 25.00 C ATOM 249 O ASP A 19 31.148 27.154 -11.022 1.00 25.00 O ATOM 250 CB ASP A 19 28.590 25.954 -12.664 1.00 25.00 C ATOM 251 CG ASP A 19 29.684 25.649 -13.682 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.633 26.199 -14.805 1.00 25.00 O ATOM 253 OD2 ASP A 19 30.546 24.791 -13.390 1.00 25.00 O ATOM 0 H ASP A 19 27.078 26.148 -10.714 1.00 25.00 H new ATOM 0 HA ASP A 19 29.734 25.024 -11.097 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.776 25.239 -12.785 1.00 25.00 H new ATOM 0 HB3 ASP A 19 28.178 26.943 -12.864 1.00 25.00 H new ATOM 258 N ASN A 20 29.242 28.185 -10.447 1.00 25.00 N ATOM 259 CA ASN A 20 29.891 29.432 -10.070 1.00 25.00 C ATOM 260 C ASN A 20 29.715 29.743 -8.586 1.00 25.00 C ATOM 261 O ASN A 20 28.927 30.626 -8.212 1.00 25.00 O ATOM 262 CB ASN A 20 29.324 30.597 -10.886 1.00 25.00 C ATOM 263 CG ASN A 20 29.733 30.560 -12.334 1.00 25.00 C ATOM 264 OD1 ASN A 20 29.330 29.708 -13.085 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.522 31.526 -12.734 1.00 25.00 N ATOM 0 H ASN A 20 28.230 28.188 -10.323 1.00 25.00 H new ATOM 0 HA ASN A 20 30.954 29.309 -10.276 1.00 25.00 H new ATOM 0 HB2 ASN A 20 28.236 30.582 -10.822 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.656 31.537 -10.445 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.815 31.574 -13.710 1.00 25.00 H new ATOM 0 HD22 ASN A 20 30.843 32.230 -12.070 1.00 25.00 H new ATOM 272 N PRO A 21 30.519 29.106 -7.717 1.00 25.00 N ATOM 273 CA PRO A 21 30.440 29.424 -6.293 1.00 25.00 C ATOM 274 C PRO A 21 30.839 30.860 -5.987 1.00 25.00 C ATOM 275 O PRO A 21 30.440 31.414 -4.977 1.00 25.00 O ATOM 276 CB PRO A 21 31.435 28.440 -5.668 1.00 25.00 C ATOM 277 CG PRO A 21 32.351 28.115 -6.719 1.00 25.00 C ATOM 278 CD PRO A 21 31.554 28.086 -7.967 1.00 25.00 C ATOM 0 HA PRO A 21 29.424 29.335 -5.908 1.00 25.00 H new ATOM 0 HB2 PRO A 21 31.952 28.888 -4.820 1.00 25.00 H new ATOM 0 HB3 PRO A 21 30.928 27.549 -5.298 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.148 28.855 -6.783 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.825 27.151 -6.538 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.160 28.330 -8.840 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.118 27.103 -8.146 1.00 25.00 H new ATOM 286 N ALA A 22 31.609 31.473 -6.873 1.00 25.00 N ATOM 287 CA ALA A 22 32.010 32.866 -6.696 1.00 25.00 C ATOM 288 C ALA A 22 30.771 33.768 -6.703 1.00 25.00 C ATOM 289 O ALA A 22 30.652 34.682 -5.892 1.00 25.00 O ATOM 290 CB ALA A 22 32.986 33.276 -7.806 1.00 25.00 C ATOM 0 H ALA A 22 31.969 31.033 -7.720 1.00 25.00 H new ATOM 0 HA ALA A 22 32.515 32.977 -5.736 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.280 34.316 -7.666 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.871 32.641 -7.766 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.502 33.163 -8.776 1.00 25.00 H new ATOM 296 N LEU A 23 29.852 33.485 -7.616 1.00 25.00 N ATOM 297 CA LEU A 23 28.629 34.268 -7.754 1.00 25.00 C ATOM 298 C LEU A 23 27.634 33.881 -6.673 1.00 25.00 C ATOM 299 O LEU A 23 26.927 34.727 -6.153 1.00 25.00 O ATOM 300 CB LEU A 23 27.991 34.047 -9.128 1.00 25.00 C ATOM 301 CG LEU A 23 28.839 34.431 -10.359 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.050 34.142 -11.632 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.247 35.901 -10.333 1.00 25.00 C ATOM 0 H LEU A 23 29.931 32.713 -8.278 1.00 25.00 H new ATOM 0 HA LEU A 23 28.891 35.321 -7.651 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.726 32.993 -9.214 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.061 34.614 -9.166 1.00 25.00 H new ATOM 0 HG LEU A 23 29.750 33.833 -10.336 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.649 34.413 -12.501 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.807 33.080 -11.676 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.129 34.725 -11.630 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.842 36.129 -11.217 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.354 36.526 -10.325 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.836 36.099 -9.438 1.00 25.00 H new ATOM 315 N LEU A 24 27.606 32.605 -6.313 1.00 25.00 N ATOM 316 CA LEU A 24 26.706 32.144 -5.255 1.00 25.00 C ATOM 317 C LEU A 24 27.073 32.834 -3.950 1.00 25.00 C ATOM 318 O LEU A 24 26.217 33.343 -3.242 1.00 25.00 O ATOM 319 CB LEU A 24 26.812 30.627 -5.080 1.00 25.00 C ATOM 320 CG LEU A 24 25.530 29.911 -4.631 1.00 25.00 C ATOM 321 CD1 LEU A 24 25.755 28.412 -4.447 1.00 25.00 C ATOM 322 CD2 LEU A 24 24.875 30.471 -3.419 1.00 25.00 C ATOM 0 H LEU A 24 28.186 31.876 -6.729 1.00 25.00 H new ATOM 0 HA LEU A 24 25.681 32.390 -5.531 1.00 25.00 H new ATOM 0 HB2 LEU A 24 27.134 30.193 -6.027 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.595 30.419 -4.351 1.00 25.00 H new ATOM 0 HG LEU A 24 24.837 30.089 -5.453 1.00 25.00 H new ATOM 0 HD11 LEU A 24 24.825 27.941 -4.129 1.00 25.00 H new ATOM 0 HD12 LEU A 24 26.079 27.974 -5.391 1.00 25.00 H new ATOM 0 HD13 LEU A 24 26.522 28.249 -3.689 1.00 25.00 H new ATOM 0 HD21 LEU A 24 23.980 29.893 -3.189 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.565 30.422 -2.577 1.00 25.00 H new ATOM 0 HD23 LEU A 24 24.599 31.509 -3.602 1.00 25.00 H new ATOM 334 N ARG A 25 28.366 32.879 -3.658 1.00 25.00 N ATOM 335 CA ARG A 25 28.863 33.550 -2.467 1.00 25.00 C ATOM 336 C ARG A 25 28.444 35.012 -2.484 1.00 25.00 C ATOM 337 O ARG A 25 27.959 35.521 -1.495 1.00 25.00 O ATOM 338 CB ARG A 25 30.388 33.448 -2.435 1.00 25.00 C ATOM 339 CG ARG A 25 31.032 34.063 -1.206 1.00 25.00 C ATOM 340 CD ARG A 25 32.493 34.358 -1.449 1.00 25.00 C ATOM 341 NE ARG A 25 32.680 35.378 -2.496 1.00 25.00 N ATOM 342 CZ ARG A 25 33.747 36.159 -2.626 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.758 36.116 -1.791 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.792 37.005 -3.616 1.00 25.00 N ATOM 0 H ARG A 25 29.093 32.455 -4.235 1.00 25.00 H new ATOM 0 HA ARG A 25 28.446 33.075 -1.579 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.671 32.397 -2.491 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.791 33.934 -3.323 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.511 34.983 -0.940 1.00 25.00 H new ATOM 0 HG3 ARG A 25 30.931 33.384 -0.360 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.953 34.700 -0.522 1.00 25.00 H new ATOM 0 HD3 ARG A 25 33.005 33.441 -1.740 1.00 25.00 H new ATOM 0 HE ARG A 25 31.929 35.494 -3.176 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.744 35.465 -1.006 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.558 36.733 -1.927 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.016 37.060 -4.276 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.603 37.612 -3.731 1.00 25.00 H new ATOM 358 N ASP A 26 28.635 35.683 -3.608 1.00 25.00 N ATOM 359 CA ASP A 26 28.284 37.098 -3.711 1.00 25.00 C ATOM 360 C ASP A 26 26.785 37.322 -3.509 1.00 25.00 C ATOM 361 O ASP A 26 26.378 38.205 -2.755 1.00 25.00 O ATOM 362 CB ASP A 26 28.706 37.663 -5.066 1.00 25.00 C ATOM 363 CG ASP A 26 28.653 39.183 -5.093 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.645 39.814 -4.664 1.00 25.00 O ATOM 365 OD2 ASP A 26 27.640 39.749 -5.549 1.00 25.00 O ATOM 0 H ASP A 26 29.028 35.279 -4.458 1.00 25.00 H new ATOM 0 HA ASP A 26 28.821 37.621 -2.919 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.718 37.332 -5.297 1.00 25.00 H new ATOM 0 HB3 ASP A 26 28.055 37.264 -5.844 1.00 25.00 H new ATOM 370 N MET A 27 25.966 36.491 -4.145 1.00 25.00 N ATOM 371 CA MET A 27 24.513 36.591 -4.019 1.00 25.00 C ATOM 372 C MET A 27 24.094 36.373 -2.574 1.00 25.00 C ATOM 373 O MET A 27 23.318 37.142 -2.025 1.00 25.00 O ATOM 374 CB MET A 27 23.823 35.543 -4.897 1.00 25.00 C ATOM 375 CG MET A 27 22.298 35.621 -4.849 1.00 25.00 C ATOM 376 SD MET A 27 21.533 34.311 -5.818 1.00 25.00 S ATOM 377 CE MET A 27 21.678 32.876 -4.709 1.00 25.00 C ATOM 0 H MET A 27 26.283 35.738 -4.755 1.00 25.00 H new ATOM 0 HA MET A 27 24.215 37.588 -4.343 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.154 35.669 -5.928 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.139 34.549 -4.580 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.963 35.551 -3.814 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.971 36.590 -5.226 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.242 32.000 -5.189 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.730 32.687 -4.494 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.149 33.080 -3.778 1.00 25.00 H new ATOM 387 N LEU A 28 24.625 35.334 -1.949 1.00 25.00 N ATOM 388 CA LEU A 28 24.320 35.070 -0.549 1.00 25.00 C ATOM 389 C LEU A 28 24.757 36.199 0.382 1.00 25.00 C ATOM 390 O LEU A 28 24.009 36.584 1.262 1.00 25.00 O ATOM 391 CB LEU A 28 25.013 33.813 -0.101 1.00 25.00 C ATOM 392 CG LEU A 28 24.341 32.494 -0.442 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.334 31.424 -0.138 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.078 32.276 0.374 1.00 25.00 C ATOM 0 H LEU A 28 25.262 34.666 -2.382 1.00 25.00 H new ATOM 0 HA LEU A 28 23.236 34.974 -0.489 1.00 25.00 H new ATOM 0 HB2 LEU A 28 26.013 33.805 -0.534 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.135 33.861 0.981 1.00 25.00 H new ATOM 0 HG LEU A 28 24.040 32.486 -1.490 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.901 30.450 -0.366 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.228 31.574 -0.744 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.600 31.464 0.918 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.628 31.322 0.100 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.327 32.268 1.435 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.372 33.081 0.173 1.00 25.00 H new ATOM 406 N LEU A 29 25.959 36.726 0.190 1.00 25.00 N ATOM 407 CA LEU A 29 26.462 37.802 1.056 1.00 25.00 C ATOM 408 C LEU A 29 25.571 39.023 0.919 1.00 25.00 C ATOM 409 O LEU A 29 25.339 39.753 1.881 1.00 25.00 O ATOM 410 CB LEU A 29 27.901 38.187 0.672 1.00 25.00 C ATOM 411 CG LEU A 29 29.020 37.230 1.110 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.318 37.607 0.400 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.229 37.250 2.624 1.00 25.00 C ATOM 0 H LEU A 29 26.602 36.435 -0.546 1.00 25.00 H new ATOM 0 HA LEU A 29 26.455 37.444 2.086 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.947 38.288 -0.412 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.112 39.170 1.093 1.00 25.00 H new ATOM 0 HG LEU A 29 28.724 36.218 0.834 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.113 36.928 0.710 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.178 37.533 -0.678 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.592 38.629 0.661 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.029 36.559 2.890 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.499 38.257 2.941 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.308 36.948 3.122 1.00 25.00 H new ATOM 425 N ALA A 30 25.065 39.234 -0.284 1.00 25.00 N ATOM 426 CA ALA A 30 24.194 40.356 -0.569 1.00 25.00 C ATOM 427 C ALA A 30 22.786 40.176 -0.004 1.00 25.00 C ATOM 428 O ALA A 30 22.087 41.154 0.235 1.00 25.00 O ATOM 429 CB ALA A 30 24.111 40.542 -2.079 1.00 25.00 C ATOM 0 H ALA A 30 25.247 38.633 -1.087 1.00 25.00 H new ATOM 0 HA ALA A 30 24.621 41.234 -0.085 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.458 41.384 -2.306 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.107 40.737 -2.477 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.709 39.637 -2.535 1.00 25.00 H new ATOM 435 N ASN A 31 22.340 38.929 0.104 1.00 25.00 N ATOM 436 CA ASN A 31 20.934 38.644 0.368 1.00 25.00 C ATOM 437 C ASN A 31 20.684 38.162 1.797 1.00 25.00 C ATOM 438 O ASN A 31 20.973 37.012 2.137 1.00 25.00 O ATOM 439 CB ASN A 31 20.441 37.588 -0.625 1.00 25.00 C ATOM 440 CG ASN A 31 18.951 37.515 -0.686 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.266 37.650 0.327 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.439 37.317 -1.862 1.00 25.00 N ATOM 0 H ASN A 31 22.930 38.102 0.013 1.00 25.00 H new ATOM 0 HA ASN A 31 20.383 39.577 0.247 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.832 37.816 -1.617 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.838 36.613 -0.342 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.427 37.267 -1.976 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.049 37.211 -2.673 1.00 25.00 H new ATOM 449 N PRO A 32 20.107 39.023 2.654 1.00 25.00 N ATOM 450 CA PRO A 32 19.958 38.602 4.050 1.00 25.00 C ATOM 451 C PRO A 32 18.978 37.456 4.297 1.00 25.00 C ATOM 452 O PRO A 32 19.099 36.754 5.288 1.00 25.00 O ATOM 453 CB PRO A 32 19.497 39.888 4.742 1.00 25.00 C ATOM 454 CG PRO A 32 18.788 40.642 3.681 1.00 25.00 C ATOM 455 CD PRO A 32 19.617 40.403 2.455 1.00 25.00 C ATOM 0 HA PRO A 32 20.891 38.183 4.426 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.839 39.673 5.584 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.342 40.453 5.134 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.767 40.283 3.550 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.724 41.704 3.920 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.027 40.495 1.543 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.438 41.116 2.376 1.00 25.00 H new ATOM 463 N HIS A 33 18.014 37.249 3.413 1.00 25.00 N ATOM 464 CA HIS A 33 17.044 36.165 3.590 1.00 25.00 C ATOM 465 C HIS A 33 17.681 34.827 3.232 1.00 25.00 C ATOM 466 O HIS A 33 17.544 33.825 3.936 1.00 25.00 O ATOM 467 CB HIS A 33 15.836 36.400 2.681 1.00 25.00 C ATOM 468 CG HIS A 33 14.753 35.376 2.835 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.654 35.520 3.651 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.599 34.151 2.248 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.903 34.429 3.532 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.437 33.556 2.703 1.00 25.00 N ATOM 0 H HIS A 33 17.878 37.809 2.571 1.00 25.00 H new ATOM 0 HA HIS A 33 16.725 36.148 4.632 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.422 37.387 2.890 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.170 36.408 1.644 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.283 33.714 1.536 1.00 25.00 H new ATOM 0 HE1 HIS A 33 11.969 34.277 4.052 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.072 32.638 2.451 1.00 25.00 H new ATOM 480 N GLU A 34 18.390 34.839 2.120 1.00 25.00 N ATOM 481 CA GLU A 34 18.978 33.638 1.548 1.00 25.00 C ATOM 482 C GLU A 34 20.148 33.168 2.399 1.00 25.00 C ATOM 483 O GLU A 34 20.390 31.978 2.566 1.00 25.00 O ATOM 484 CB GLU A 34 19.436 33.973 0.131 1.00 25.00 C ATOM 485 CG GLU A 34 18.534 33.453 -0.970 1.00 25.00 C ATOM 486 CD GLU A 34 17.077 33.901 -0.839 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.808 35.111 -0.715 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.194 33.038 -0.934 1.00 25.00 O ATOM 0 H GLU A 34 18.577 35.686 1.583 1.00 25.00 H new ATOM 0 HA GLU A 34 18.248 32.829 1.521 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.513 35.056 0.036 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.437 33.568 -0.017 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.922 33.787 -1.932 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.570 32.364 -0.972 1.00 25.00 H new ATOM 495 N LEU A 35 20.855 34.113 2.990 1.00 25.00 N ATOM 496 CA LEU A 35 21.967 33.776 3.867 1.00 25.00 C ATOM 497 C LEU A 35 21.445 33.253 5.208 1.00 25.00 C ATOM 498 O LEU A 35 22.110 32.473 5.888 1.00 25.00 O ATOM 499 CB LEU A 35 22.884 34.987 3.993 1.00 25.00 C ATOM 500 CG LEU A 35 22.676 36.108 5.020 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.917 35.722 6.468 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.653 37.194 4.617 1.00 25.00 C ATOM 0 H LEU A 35 20.683 35.113 2.882 1.00 25.00 H new ATOM 0 HA LEU A 35 22.562 32.966 3.446 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.886 34.595 4.166 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.894 35.467 3.014 1.00 25.00 H new ATOM 0 HG LEU A 35 21.628 36.407 4.999 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.742 36.586 7.109 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.236 34.919 6.749 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.946 35.383 6.588 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.566 38.035 5.305 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.669 36.800 4.651 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.427 37.529 3.605 1.00 25.00 H new ATOM 514 N SER A 36 20.252 33.699 5.589 1.00 25.00 N ATOM 515 CA SER A 36 19.666 33.327 6.876 1.00 25.00 C ATOM 516 C SER A 36 19.177 31.898 6.861 1.00 25.00 C ATOM 517 O SER A 36 19.407 31.163 7.795 1.00 25.00 O ATOM 518 CB SER A 36 18.503 34.244 7.253 1.00 25.00 C ATOM 519 OG SER A 36 18.060 33.973 8.576 1.00 25.00 O ATOM 0 H SER A 36 19.670 34.319 5.026 1.00 25.00 H new ATOM 0 HA SER A 36 20.456 33.433 7.619 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.814 35.286 7.174 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.680 34.103 6.552 1.00 25.00 H new ATOM 0 HG SER A 36 17.316 34.570 8.801 1.00 25.00 H new ATOM 525 N LEU A 37 18.522 31.478 5.794 1.00 25.00 N ATOM 526 CA LEU A 37 18.055 30.094 5.734 1.00 25.00 C ATOM 527 C LEU A 37 19.226 29.166 5.680 1.00 25.00 C ATOM 528 O LEU A 37 19.165 28.038 6.126 1.00 25.00 O ATOM 529 CB LEU A 37 17.158 29.880 4.537 1.00 25.00 C ATOM 530 CG LEU A 37 17.708 30.000 3.114 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.118 28.645 2.578 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.638 30.629 2.239 1.00 25.00 C ATOM 0 H LEU A 37 18.303 32.050 4.978 1.00 25.00 H new ATOM 0 HA LEU A 37 17.474 29.884 6.632 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.730 28.882 4.632 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.335 30.589 4.623 1.00 25.00 H new ATOM 0 HG LEU A 37 18.599 30.628 3.114 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.506 28.756 1.565 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.891 28.219 3.218 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.253 27.982 2.564 1.00 25.00 H new ATOM 0 HD21 LEU A 37 17.011 30.723 1.219 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.748 29.999 2.243 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.386 31.616 2.626 1.00 25.00 H new ATOM 544 N LEU A 38 20.300 29.657 5.108 1.00 25.00 N ATOM 545 CA LEU A 38 21.475 28.860 4.947 1.00 25.00 C ATOM 546 C LEU A 38 22.151 28.566 6.272 1.00 25.00 C ATOM 547 O LEU A 38 22.519 27.436 6.534 1.00 25.00 O ATOM 548 CB LEU A 38 22.396 29.593 4.012 1.00 25.00 C ATOM 549 CG LEU A 38 23.612 28.758 3.598 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.198 27.578 2.739 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.604 29.614 2.861 1.00 25.00 C ATOM 0 H LEU A 38 20.376 30.608 4.748 1.00 25.00 H new ATOM 0 HA LEU A 38 21.206 27.889 4.531 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.842 29.886 3.120 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.738 30.510 4.491 1.00 25.00 H new ATOM 0 HG LEU A 38 24.080 28.371 4.503 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.081 27.003 2.460 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.514 26.942 3.300 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.701 27.940 1.839 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.463 29.009 2.572 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.135 30.028 1.968 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.934 30.427 3.507 1.00 25.00 H new ATOM 563 N LYS A 39 22.264 29.559 7.140 1.00 25.00 N ATOM 564 CA LYS A 39 22.822 29.312 8.477 1.00 25.00 C ATOM 565 C LYS A 39 21.879 28.477 9.332 1.00 25.00 C ATOM 566 O LYS A 39 22.334 27.735 10.189 1.00 25.00 O ATOM 567 CB LYS A 39 23.228 30.612 9.199 1.00 25.00 C ATOM 568 CG LYS A 39 22.148 31.699 9.243 1.00 25.00 C ATOM 569 CD LYS A 39 22.338 32.690 10.379 1.00 25.00 C ATOM 570 CE LYS A 39 23.530 33.608 10.126 1.00 25.00 C ATOM 571 NZ LYS A 39 23.680 34.586 11.254 1.00 25.00 N ATOM 0 H LYS A 39 21.987 30.524 6.958 1.00 25.00 H new ATOM 0 HA LYS A 39 23.736 28.737 8.328 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.515 30.366 10.221 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.112 31.020 8.709 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.147 32.239 8.296 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.171 31.227 9.342 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.435 33.289 10.496 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.486 32.150 11.314 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.439 33.016 10.025 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.393 34.144 9.187 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.495 35.206 11.070 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.818 35.162 11.331 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.832 34.069 12.144 1.00 25.00 H new ATOM 585 N GLU A 40 20.584 28.548 9.057 1.00 25.00 N ATOM 586 CA GLU A 40 19.613 27.721 9.767 1.00 25.00 C ATOM 587 C GLU A 40 19.691 26.261 9.306 1.00 25.00 C ATOM 588 O GLU A 40 19.773 25.351 10.125 1.00 25.00 O ATOM 589 CB GLU A 40 18.193 28.250 9.528 1.00 25.00 C ATOM 590 CG GLU A 40 17.880 29.566 10.246 1.00 25.00 C ATOM 591 CD GLU A 40 17.895 29.428 11.755 1.00 25.00 C ATOM 592 OE1 GLU A 40 18.683 30.146 12.407 1.00 25.00 O ATOM 593 OE2 GLU A 40 17.098 28.627 12.291 1.00 25.00 O ATOM 0 H GLU A 40 20.181 29.165 8.352 1.00 25.00 H new ATOM 0 HA GLU A 40 19.849 27.767 10.830 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.046 28.390 8.457 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.477 27.494 9.852 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.608 30.320 9.947 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.901 29.925 9.928 1.00 25.00 H new ATOM 600 N ARG A 41 19.624 26.026 7.997 1.00 25.00 N ATOM 601 CA ARG A 41 19.579 24.646 7.478 1.00 25.00 C ATOM 602 C ARG A 41 20.912 23.974 7.170 1.00 25.00 C ATOM 603 O ARG A 41 21.009 22.754 7.205 1.00 25.00 O ATOM 604 CB ARG A 41 18.719 24.603 6.222 1.00 25.00 C ATOM 605 CG ARG A 41 17.312 25.047 6.504 1.00 25.00 C ATOM 606 CD ARG A 41 16.340 24.624 5.409 1.00 25.00 C ATOM 607 NE ARG A 41 14.948 24.832 5.840 1.00 25.00 N ATOM 608 CZ ARG A 41 14.232 23.970 6.557 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.714 22.825 6.972 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.001 24.270 6.872 1.00 25.00 N ATOM 0 H ARG A 41 19.600 26.753 7.282 1.00 25.00 H new ATOM 0 HA ARG A 41 19.161 24.074 8.306 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.158 25.244 5.457 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.709 23.589 5.821 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.986 24.630 7.457 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.290 26.132 6.607 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.535 25.197 4.502 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.497 23.574 5.163 1.00 25.00 H new ATOM 0 HE ARG A 41 14.497 25.705 5.568 1.00 25.00 H new ATOM 0 HH11 ARG A 41 15.674 22.564 6.747 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.129 22.194 7.520 1.00 25.00 H new ATOM 0 HH21 ARG A 41 12.599 25.157 6.569 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.442 23.617 7.421 1.00 25.00 H new ATOM 624 N ASN A 42 21.920 24.760 6.834 1.00 25.00 N ATOM 625 CA ASN A 42 23.238 24.213 6.465 1.00 25.00 C ATOM 626 C ASN A 42 24.402 24.958 7.130 1.00 25.00 C ATOM 627 O ASN A 42 25.167 25.665 6.455 1.00 25.00 O ATOM 628 CB ASN A 42 23.426 24.263 4.942 1.00 25.00 C ATOM 629 CG ASN A 42 24.529 23.355 4.465 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.256 22.781 5.252 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.662 23.225 3.180 1.00 25.00 N ATOM 0 H ASN A 42 21.863 25.778 6.805 1.00 25.00 H new ATOM 0 HA ASN A 42 23.253 23.183 6.822 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.492 23.982 4.455 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.647 25.287 4.640 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.395 22.626 2.801 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.033 23.722 2.549 1.00 25.00 H new ATOM 638 N PRO A 43 24.584 24.788 8.452 1.00 25.00 N ATOM 639 CA PRO A 43 25.689 25.534 9.067 1.00 25.00 C ATOM 640 C PRO A 43 27.115 25.352 8.478 1.00 25.00 C ATOM 641 O PRO A 43 27.837 26.342 8.380 1.00 25.00 O ATOM 642 CB PRO A 43 25.615 25.130 10.552 1.00 25.00 C ATOM 643 CG PRO A 43 24.820 23.868 10.580 1.00 25.00 C ATOM 644 CD PRO A 43 23.839 23.998 9.452 1.00 25.00 C ATOM 0 HA PRO A 43 25.549 26.597 8.868 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.611 24.976 10.967 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.138 25.908 11.148 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.460 22.996 10.447 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.309 23.745 11.535 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.545 23.025 9.059 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.926 24.504 9.767 1.00 25.00 H new ATOM 652 N PRO A 44 27.530 24.136 8.023 1.00 25.00 N ATOM 653 CA PRO A 44 28.895 24.172 7.469 1.00 25.00 C ATOM 654 C PRO A 44 29.062 24.951 6.154 1.00 25.00 C ATOM 655 O PRO A 44 30.128 25.513 5.911 1.00 25.00 O ATOM 656 CB PRO A 44 29.224 22.696 7.267 1.00 25.00 C ATOM 657 CG PRO A 44 27.923 22.059 7.023 1.00 25.00 C ATOM 658 CD PRO A 44 26.987 22.760 7.973 1.00 25.00 C ATOM 0 HA PRO A 44 29.561 24.708 8.145 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.901 22.552 6.425 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.714 22.275 8.145 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.606 22.183 5.987 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.961 20.987 7.219 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.959 22.745 7.611 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.985 22.291 8.957 1.00 25.00 H new ATOM 666 N LEU A 45 28.044 25.011 5.300 1.00 25.00 N ATOM 667 CA LEU A 45 28.160 25.837 4.096 1.00 25.00 C ATOM 668 C LEU A 45 28.011 27.300 4.498 1.00 25.00 C ATOM 669 O LEU A 45 28.665 28.188 3.943 1.00 25.00 O ATOM 670 CB LEU A 45 27.129 25.452 3.037 1.00 25.00 C ATOM 671 CG LEU A 45 27.256 26.182 1.682 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.665 26.084 1.063 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.235 25.597 0.706 1.00 25.00 C ATOM 0 H LEU A 45 27.158 24.518 5.409 1.00 25.00 H new ATOM 0 HA LEU A 45 29.139 25.672 3.645 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.201 24.379 2.859 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.134 25.642 3.439 1.00 25.00 H new ATOM 0 HG LEU A 45 27.068 27.239 1.869 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.683 26.618 0.113 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.393 26.527 1.743 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.917 25.037 0.895 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.317 26.106 -0.254 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.429 24.533 0.570 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.230 25.734 1.105 1.00 25.00 H new ATOM 685 N ALA A 46 27.176 27.547 5.496 1.00 25.00 N ATOM 686 CA ALA A 46 26.982 28.904 5.981 1.00 25.00 C ATOM 687 C ALA A 46 28.251 29.508 6.583 1.00 25.00 C ATOM 688 O ALA A 46 28.604 30.614 6.237 1.00 25.00 O ATOM 689 CB ALA A 46 25.882 28.931 6.981 1.00 25.00 C ATOM 0 H ALA A 46 26.629 26.836 5.980 1.00 25.00 H new ATOM 0 HA ALA A 46 26.719 29.516 5.118 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.742 29.950 7.340 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.960 28.580 6.517 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.136 28.283 7.819 1.00 25.00 H new ATOM 695 N GLU A 47 28.935 28.803 7.476 1.00 25.00 N ATOM 696 CA GLU A 47 30.152 29.350 8.106 1.00 25.00 C ATOM 697 C GLU A 47 31.203 29.673 7.043 1.00 25.00 C ATOM 698 O GLU A 47 31.983 30.620 7.179 1.00 25.00 O ATOM 699 CB GLU A 47 30.729 28.395 9.167 1.00 25.00 C ATOM 700 CG GLU A 47 31.308 27.107 8.609 1.00 25.00 C ATOM 701 CD GLU A 47 31.991 26.270 9.671 1.00 25.00 C ATOM 702 OE1 GLU A 47 31.296 25.613 10.469 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.247 26.263 9.692 1.00 25.00 O ATOM 0 H GLU A 47 28.681 27.864 7.783 1.00 25.00 H new ATOM 0 HA GLU A 47 29.872 30.271 8.617 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.508 28.918 9.722 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.942 28.146 9.879 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.511 26.524 8.148 1.00 25.00 H new ATOM 0 HG3 GLU A 47 32.024 27.345 7.822 1.00 25.00 H new ATOM 710 N ALA A 48 31.192 28.905 5.964 1.00 25.00 N ATOM 711 CA ALA A 48 32.089 29.108 4.854 1.00 25.00 C ATOM 712 C ALA A 48 31.827 30.470 4.205 1.00 25.00 C ATOM 713 O ALA A 48 32.761 31.219 3.899 1.00 25.00 O ATOM 714 CB ALA A 48 31.923 27.967 3.849 1.00 25.00 C ATOM 0 H ALA A 48 30.553 28.120 5.840 1.00 25.00 H new ATOM 0 HA ALA A 48 33.120 29.105 5.209 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.601 28.120 3.009 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.154 27.019 4.334 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.895 27.948 3.486 1.00 25.00 H new ATOM 720 N LEU A 49 30.551 30.802 4.070 1.00 25.00 N ATOM 721 CA LEU A 49 30.128 32.092 3.553 1.00 25.00 C ATOM 722 C LEU A 49 30.493 33.223 4.518 1.00 25.00 C ATOM 723 O LEU A 49 30.913 34.288 4.091 1.00 25.00 O ATOM 724 CB LEU A 49 28.604 32.091 3.368 1.00 25.00 C ATOM 725 CG LEU A 49 28.012 33.394 2.823 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.241 33.473 1.329 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.540 33.471 3.180 1.00 25.00 C ATOM 0 H LEU A 49 29.780 30.182 4.317 1.00 25.00 H new ATOM 0 HA LEU A 49 30.636 32.256 2.603 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.337 31.279 2.692 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.138 31.873 4.329 1.00 25.00 H new ATOM 0 HG LEU A 49 28.508 34.252 3.277 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.818 34.401 0.945 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.311 33.449 1.123 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.759 32.626 0.842 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.119 34.399 2.792 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.014 32.623 2.741 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.427 33.447 4.264 1.00 25.00 H new ATOM 739 N LEU A 50 30.294 33.003 5.811 1.00 25.00 N ATOM 740 CA LEU A 50 30.454 34.073 6.807 1.00 25.00 C ATOM 741 C LEU A 50 31.877 34.595 6.874 1.00 25.00 C ATOM 742 O LEU A 50 32.117 35.772 7.112 1.00 25.00 O ATOM 743 CB LEU A 50 30.054 33.597 8.209 1.00 25.00 C ATOM 744 CG LEU A 50 28.661 32.968 8.413 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.335 32.881 9.891 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.553 33.691 7.656 1.00 25.00 C ATOM 0 H LEU A 50 30.023 32.100 6.201 1.00 25.00 H new ATOM 0 HA LEU A 50 29.795 34.878 6.481 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.796 32.867 8.533 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.132 34.451 8.882 1.00 25.00 H new ATOM 0 HG LEU A 50 28.708 31.964 7.992 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.349 32.435 10.020 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.081 32.264 10.392 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.341 33.881 10.324 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.601 33.196 7.844 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.497 34.726 7.994 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.768 33.669 6.588 1.00 25.00 H new ATOM 758 N SER A 51 32.828 33.706 6.649 1.00 25.00 N ATOM 759 CA SER A 51 34.231 34.078 6.623 1.00 25.00 C ATOM 760 C SER A 51 34.587 34.853 5.355 1.00 25.00 C ATOM 761 O SER A 51 35.621 35.504 5.295 1.00 25.00 O ATOM 762 CB SER A 51 35.051 32.815 6.675 1.00 25.00 C ATOM 763 OG SER A 51 34.842 32.144 7.907 1.00 25.00 O ATOM 0 H SER A 51 32.652 32.715 6.481 1.00 25.00 H new ATOM 0 HA SER A 51 34.439 34.723 7.477 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.778 32.162 5.846 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.108 33.054 6.558 1.00 25.00 H new ATOM 0 HG SER A 51 34.026 31.604 7.851 1.00 25.00 H new ATOM 769 N GLY A 52 33.745 34.743 4.339 1.00 25.00 N ATOM 770 CA GLY A 52 33.961 35.446 3.085 1.00 25.00 C ATOM 771 C GLY A 52 34.893 34.717 2.144 1.00 25.00 C ATOM 772 O GLY A 52 34.948 35.028 0.947 1.00 25.00 O ATOM 0 H GLY A 52 32.901 34.170 4.360 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.001 35.596 2.591 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.369 36.434 3.296 1.00 25.00 H new ATOM 776 N ASP A 53 35.638 33.755 2.668 1.00 25.00 N ATOM 777 CA ASP A 53 36.612 33.020 1.874 1.00 25.00 C ATOM 778 C ASP A 53 35.950 32.198 0.781 1.00 25.00 C ATOM 779 O ASP A 53 35.208 31.254 1.049 1.00 25.00 O ATOM 780 CB ASP A 53 37.473 32.120 2.749 1.00 25.00 C ATOM 781 CG ASP A 53 38.931 32.312 2.486 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.286 32.486 1.303 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.724 32.266 3.446 1.00 25.00 O ATOM 0 H ASP A 53 35.586 33.464 3.644 1.00 25.00 H new ATOM 0 HA ASP A 53 37.251 33.764 1.399 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.264 32.327 3.798 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.207 31.078 2.570 1.00 25.00 H new ATOM 788 N LEU A 54 36.227 32.544 -0.464 1.00 25.00 N ATOM 789 CA LEU A 54 35.673 31.790 -1.578 1.00 25.00 C ATOM 790 C LEU A 54 36.268 30.401 -1.544 1.00 25.00 C ATOM 791 O LEU A 54 35.594 29.431 -1.849 1.00 25.00 O ATOM 792 CB LEU A 54 35.982 32.467 -2.917 1.00 25.00 C ATOM 793 CG LEU A 54 35.404 31.835 -4.206 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.319 30.763 -4.806 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.977 31.278 -4.040 1.00 25.00 C ATOM 0 H LEU A 54 36.822 33.329 -0.728 1.00 25.00 H new ATOM 0 HA LEU A 54 34.588 31.744 -1.483 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.624 33.495 -2.861 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.066 32.512 -3.025 1.00 25.00 H new ATOM 0 HG LEU A 54 35.347 32.668 -4.906 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.861 30.356 -5.708 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.283 31.206 -5.057 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.466 29.962 -4.081 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.641 30.852 -4.985 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.975 30.504 -3.272 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.304 32.083 -3.745 1.00 25.00 H new ATOM 807 N GLU A 55 37.519 30.298 -1.131 1.00 25.00 N ATOM 808 CA GLU A 55 38.185 29.000 -1.072 1.00 25.00 C ATOM 809 C GLU A 55 37.391 28.024 -0.230 1.00 25.00 C ATOM 810 O GLU A 55 37.101 26.899 -0.649 1.00 25.00 O ATOM 811 CB GLU A 55 39.585 29.141 -0.476 1.00 25.00 C ATOM 812 CG GLU A 55 40.405 30.184 -1.179 1.00 25.00 C ATOM 813 CD GLU A 55 41.896 29.930 -1.059 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.319 29.266 -0.087 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.640 30.332 -1.977 1.00 25.00 O ATOM 0 H GLU A 55 38.093 31.087 -0.833 1.00 25.00 H new ATOM 0 HA GLU A 55 38.258 28.621 -2.091 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.503 29.398 0.580 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.099 28.181 -0.531 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.128 30.210 -2.233 1.00 25.00 H new ATOM 0 HG3 GLU A 55 40.172 31.165 -0.764 1.00 25.00 H new ATOM 822 N LYS A 56 36.996 28.463 0.954 1.00 25.00 N ATOM 823 CA LYS A 56 36.224 27.592 1.836 1.00 25.00 C ATOM 824 C LYS A 56 34.781 27.458 1.368 1.00 25.00 C ATOM 825 O LYS A 56 34.240 26.369 1.422 1.00 25.00 O ATOM 826 CB LYS A 56 36.346 28.010 3.316 1.00 25.00 C ATOM 827 CG LYS A 56 35.598 29.212 3.762 1.00 25.00 C ATOM 828 CD LYS A 56 36.166 29.717 5.099 1.00 25.00 C ATOM 829 CE LYS A 56 35.617 28.955 6.322 1.00 25.00 C ATOM 830 NZ LYS A 56 36.149 29.494 7.622 1.00 25.00 N ATOM 0 H LYS A 56 37.189 29.394 1.324 1.00 25.00 H new ATOM 0 HA LYS A 56 36.659 26.594 1.774 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.023 27.169 3.929 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.402 28.174 3.531 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.669 29.996 3.008 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.541 28.972 3.874 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.252 29.627 5.081 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.935 30.777 5.207 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.529 29.015 6.325 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.877 27.900 6.236 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.904 28.842 8.394 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.183 29.587 7.562 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.728 30.426 7.810 1.00 25.00 H new ATOM 844 N PHE A 57 34.178 28.521 0.851 1.00 25.00 N ATOM 845 CA PHE A 57 32.804 28.423 0.337 1.00 25.00 C ATOM 846 C PHE A 57 32.723 27.405 -0.796 1.00 25.00 C ATOM 847 O PHE A 57 31.869 26.534 -0.785 1.00 25.00 O ATOM 848 CB PHE A 57 32.292 29.788 -0.145 1.00 25.00 C ATOM 849 CG PHE A 57 30.892 29.739 -0.720 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.762 29.801 0.116 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.703 29.615 -2.111 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.448 29.741 -0.435 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.399 29.554 -2.671 1.00 25.00 C ATOM 854 CZ PHE A 57 28.273 29.624 -1.847 1.00 25.00 C ATOM 0 H PHE A 57 34.602 29.446 0.774 1.00 25.00 H new ATOM 0 HA PHE A 57 32.168 28.089 1.157 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.309 30.489 0.690 1.00 25.00 H new ATOM 0 HB3 PHE A 57 32.974 30.176 -0.902 1.00 25.00 H new ATOM 0 HD1 PHE A 57 29.891 29.895 1.184 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.564 29.566 -2.762 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.587 29.784 0.215 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.277 29.453 -3.739 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.281 29.590 -2.273 1.00 25.00 H new ATOM 864 N SER A 58 33.634 27.499 -1.755 1.00 25.00 N ATOM 865 CA SER A 58 33.653 26.610 -2.906 1.00 25.00 C ATOM 866 C SER A 58 33.976 25.188 -2.491 1.00 25.00 C ATOM 867 O SER A 58 33.354 24.247 -2.948 1.00 25.00 O ATOM 868 CB SER A 58 34.705 27.090 -3.906 1.00 25.00 C ATOM 869 OG SER A 58 34.724 26.267 -5.056 1.00 25.00 O ATOM 0 H SER A 58 34.380 28.194 -1.756 1.00 25.00 H new ATOM 0 HA SER A 58 32.664 26.624 -3.364 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.494 28.120 -4.195 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.688 27.086 -3.435 1.00 25.00 H new ATOM 0 HG SER A 58 35.404 26.595 -5.682 1.00 25.00 H new ATOM 875 N ARG A 59 34.940 25.024 -1.601 1.00 25.00 N ATOM 876 CA ARG A 59 35.329 23.683 -1.177 1.00 25.00 C ATOM 877 C ARG A 59 34.179 22.987 -0.468 1.00 25.00 C ATOM 878 O ARG A 59 33.888 21.840 -0.754 1.00 25.00 O ATOM 879 CB ARG A 59 36.550 23.744 -0.272 1.00 25.00 C ATOM 880 CG ARG A 59 37.091 22.351 0.085 1.00 25.00 C ATOM 881 CD ARG A 59 37.016 22.052 1.569 1.00 25.00 C ATOM 882 NE ARG A 59 38.127 22.686 2.296 1.00 25.00 N ATOM 883 CZ ARG A 59 38.514 22.372 3.529 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.915 21.444 4.235 1.00 25.00 N ATOM 885 NH2 ARG A 59 39.527 22.996 4.053 1.00 25.00 N ATOM 0 H ARG A 59 35.461 25.784 -1.163 1.00 25.00 H new ATOM 0 HA ARG A 59 35.583 23.105 -2.066 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.334 24.319 -0.764 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.292 24.275 0.644 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.526 21.596 -0.462 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.127 22.274 -0.244 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.066 22.409 1.967 1.00 25.00 H new ATOM 0 HD3 ARG A 59 37.042 20.974 1.727 1.00 25.00 H new ATOM 0 HE ARG A 59 38.641 23.425 1.816 1.00 25.00 H new ATOM 0 HH11 ARG A 59 37.123 20.935 3.841 1.00 25.00 H new ATOM 0 HH12 ARG A 59 38.240 21.231 5.178 1.00 25.00 H new ATOM 0 HH21 ARG A 59 40.014 23.716 3.519 1.00 25.00 H new ATOM 0 HH22 ARG A 59 39.835 22.766 4.998 1.00 25.00 H new ATOM 899 N VAL A 60 33.504 23.685 0.431 1.00 25.00 N ATOM 900 CA VAL A 60 32.377 23.090 1.136 1.00 25.00 C ATOM 901 C VAL A 60 31.250 22.845 0.141 1.00 25.00 C ATOM 902 O VAL A 60 30.563 21.846 0.240 1.00 25.00 O ATOM 903 CB VAL A 60 31.900 23.961 2.333 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.688 23.320 3.016 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.029 24.096 3.375 1.00 25.00 C ATOM 0 H VAL A 60 33.711 24.650 0.688 1.00 25.00 H new ATOM 0 HA VAL A 60 32.697 22.142 1.568 1.00 25.00 H new ATOM 0 HB VAL A 60 31.627 24.943 1.945 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.369 23.944 3.851 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.872 23.228 2.299 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.959 22.331 3.385 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.684 24.708 4.208 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.306 23.107 3.741 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.896 24.568 2.913 1.00 25.00 H new ATOM 915 N LEU A 61 31.099 23.709 -0.856 1.00 25.00 N ATOM 916 CA LEU A 61 30.092 23.498 -1.897 1.00 25.00 C ATOM 917 C LEU A 61 30.291 22.147 -2.579 1.00 25.00 C ATOM 918 O LEU A 61 29.336 21.407 -2.772 1.00 25.00 O ATOM 919 CB LEU A 61 30.169 24.601 -2.960 1.00 25.00 C ATOM 920 CG LEU A 61 28.851 24.904 -3.668 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.112 25.954 -2.880 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.074 25.441 -5.056 1.00 25.00 C ATOM 0 H LEU A 61 31.655 24.557 -0.968 1.00 25.00 H new ATOM 0 HA LEU A 61 29.115 23.523 -1.415 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.530 25.515 -2.489 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.909 24.314 -3.707 1.00 25.00 H new ATOM 0 HG LEU A 61 28.285 23.975 -3.738 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.167 26.182 -3.374 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.916 25.583 -1.874 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.718 26.858 -2.821 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.112 25.644 -5.526 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.653 26.363 -5.001 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.619 24.705 -5.648 1.00 25.00 H new ATOM 934 N VAL A 62 31.530 21.817 -2.918 1.00 25.00 N ATOM 935 CA VAL A 62 31.833 20.535 -3.567 1.00 25.00 C ATOM 936 C VAL A 62 31.542 19.384 -2.617 1.00 25.00 C ATOM 937 O VAL A 62 30.938 18.392 -3.002 1.00 25.00 O ATOM 938 CB VAL A 62 33.325 20.460 -4.021 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.657 19.085 -4.625 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.613 21.536 -5.054 1.00 25.00 C ATOM 0 H VAL A 62 32.343 22.412 -2.758 1.00 25.00 H new ATOM 0 HA VAL A 62 31.198 20.458 -4.450 1.00 25.00 H new ATOM 0 HB VAL A 62 33.946 20.615 -3.139 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.703 19.065 -4.931 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.482 18.309 -3.880 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.022 18.906 -5.492 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.656 21.474 -5.363 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.969 21.390 -5.921 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.421 22.517 -4.620 1.00 25.00 H new ATOM 950 N GLU A 63 31.943 19.522 -1.367 1.00 25.00 N ATOM 951 CA GLU A 63 31.690 18.466 -0.376 1.00 25.00 C ATOM 952 C GLU A 63 30.188 18.240 -0.173 1.00 25.00 C ATOM 953 O GLU A 63 29.731 17.102 -0.082 1.00 25.00 O ATOM 954 CB GLU A 63 32.352 18.796 0.968 1.00 25.00 C ATOM 955 CG GLU A 63 33.879 18.839 0.905 1.00 25.00 C ATOM 956 CD GLU A 63 34.475 17.569 0.313 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.196 17.668 -0.705 1.00 25.00 O ATOM 958 OE2 GLU A 63 34.218 16.477 0.852 1.00 25.00 O ATOM 0 H GLU A 63 32.439 20.338 -1.007 1.00 25.00 H new ATOM 0 HA GLU A 63 32.130 17.548 -0.767 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.984 19.761 1.317 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.048 18.053 1.705 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.191 19.695 0.307 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.277 18.989 1.909 1.00 25.00 H new ATOM 965 N GLN A 64 29.410 19.313 -0.155 1.00 25.00 N ATOM 966 CA GLN A 64 27.958 19.208 -0.019 1.00 25.00 C ATOM 967 C GLN A 64 27.359 18.552 -1.260 1.00 25.00 C ATOM 968 O GLN A 64 26.478 17.708 -1.150 1.00 25.00 O ATOM 969 CB GLN A 64 27.339 20.594 0.190 1.00 25.00 C ATOM 970 CG GLN A 64 27.669 21.226 1.554 1.00 25.00 C ATOM 971 CD GLN A 64 26.981 20.526 2.708 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.772 20.384 2.722 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.743 20.110 3.686 1.00 25.00 N ATOM 0 H GLN A 64 29.757 20.269 -0.233 1.00 25.00 H new ATOM 0 HA GLN A 64 27.736 18.590 0.851 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.686 21.259 -0.601 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.256 20.516 0.089 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.747 21.199 1.710 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.374 22.275 1.544 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.753 20.247 3.639 1.00 25.00 H new ATOM 0 HE22 GLN A 64 27.328 19.649 4.496 1.00 25.00 H new ATOM 982 N GLN A 65 27.858 18.903 -2.436 1.00 25.00 N ATOM 983 CA GLN A 65 27.389 18.279 -3.674 1.00 25.00 C ATOM 984 C GLN A 65 27.715 16.791 -3.649 1.00 25.00 C ATOM 985 O GLN A 65 26.894 15.969 -4.043 1.00 25.00 O ATOM 986 CB GLN A 65 28.055 18.908 -4.904 1.00 25.00 C ATOM 987 CG GLN A 65 27.547 20.297 -5.267 1.00 25.00 C ATOM 988 CD GLN A 65 28.388 20.928 -6.356 1.00 25.00 C ATOM 989 OE1 GLN A 65 28.938 20.244 -7.201 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.486 22.232 -6.341 1.00 25.00 N ATOM 0 H GLN A 65 28.582 19.610 -2.564 1.00 25.00 H new ATOM 0 HA GLN A 65 26.312 18.435 -3.741 1.00 25.00 H new ATOM 0 HB2 GLN A 65 29.129 18.964 -4.729 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.905 18.247 -5.758 1.00 25.00 H new ATOM 0 HG2 GLN A 65 26.511 20.231 -5.598 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.559 20.933 -4.382 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.011 22.771 -5.617 1.00 25.00 H new ATOM 0 HE22 GLN A 65 29.038 22.710 -7.053 1.00 25.00 H new ATOM 999 N GLN A 66 28.902 16.442 -3.173 1.00 25.00 N ATOM 1000 CA GLN A 66 29.307 15.047 -3.102 1.00 25.00 C ATOM 1001 C GLN A 66 28.453 14.258 -2.125 1.00 25.00 C ATOM 1002 O GLN A 66 28.039 13.150 -2.439 1.00 25.00 O ATOM 1003 CB GLN A 66 30.770 14.917 -2.675 1.00 25.00 C ATOM 1004 CG GLN A 66 31.773 15.201 -3.777 1.00 25.00 C ATOM 1005 CD GLN A 66 33.091 14.537 -3.493 1.00 25.00 C ATOM 1006 OE1 GLN A 66 33.209 13.315 -3.596 1.00 25.00 O ATOM 1007 NE2 GLN A 66 34.075 15.307 -3.109 1.00 25.00 N ATOM 0 H GLN A 66 29.599 17.104 -2.831 1.00 25.00 H new ATOM 0 HA GLN A 66 29.174 14.640 -4.104 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.956 15.600 -1.846 1.00 25.00 H new ATOM 0 HB3 GLN A 66 30.938 13.908 -2.299 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.381 14.846 -4.730 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.918 16.277 -3.873 1.00 25.00 H new ATOM 0 HE21 GLN A 66 33.936 16.315 -3.037 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.982 14.900 -2.882 1.00 25.00 H new ATOM 1016 N ASP A 67 28.191 14.809 -0.947 1.00 25.00 N ATOM 1017 CA ASP A 67 27.390 14.103 0.055 1.00 25.00 C ATOM 1018 C ASP A 67 25.964 13.935 -0.422 1.00 25.00 C ATOM 1019 O ASP A 67 25.392 12.856 -0.307 1.00 25.00 O ATOM 1020 CB ASP A 67 27.354 14.865 1.379 1.00 25.00 C ATOM 1021 CG ASP A 67 26.643 14.081 2.475 1.00 25.00 C ATOM 1022 OD1 ASP A 67 25.394 14.129 2.546 1.00 25.00 O ATOM 1023 OD2 ASP A 67 27.322 13.367 3.241 1.00 25.00 O ATOM 0 H ASP A 67 28.516 15.732 -0.660 1.00 25.00 H new ATOM 0 HA ASP A 67 27.859 13.130 0.204 1.00 25.00 H new ATOM 0 HB2 ASP A 67 28.373 15.087 1.696 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.850 15.820 1.233 1.00 25.00 H new ATOM 1028 N ARG A 68 25.385 14.987 -0.982 1.00 25.00 N ATOM 1029 CA ARG A 68 23.997 14.911 -1.418 1.00 25.00 C ATOM 1030 C ARG A 68 23.855 13.924 -2.553 1.00 25.00 C ATOM 1031 O ARG A 68 22.894 13.188 -2.613 1.00 25.00 O ATOM 1032 CB ARG A 68 23.455 16.293 -1.763 1.00 25.00 C ATOM 1033 CG ARG A 68 23.470 16.718 -3.221 1.00 25.00 C ATOM 1034 CD ARG A 68 22.756 18.039 -3.328 1.00 25.00 C ATOM 1035 NE ARG A 68 22.570 18.472 -4.720 1.00 25.00 N ATOM 1036 CZ ARG A 68 21.694 19.389 -5.111 1.00 25.00 C ATOM 1037 NH1 ARG A 68 20.892 19.995 -4.264 1.00 25.00 N ATOM 1038 NH2 ARG A 68 21.623 19.699 -6.376 1.00 25.00 N ATOM 0 H ARG A 68 25.842 15.885 -1.143 1.00 25.00 H new ATOM 0 HA ARG A 68 23.386 14.540 -0.595 1.00 25.00 H new ATOM 0 HB2 ARG A 68 22.425 16.346 -1.410 1.00 25.00 H new ATOM 0 HB3 ARG A 68 24.025 17.028 -1.195 1.00 25.00 H new ATOM 0 HG2 ARG A 68 24.495 16.809 -3.581 1.00 25.00 H new ATOM 0 HG3 ARG A 68 22.979 15.968 -3.842 1.00 25.00 H new ATOM 0 HD2 ARG A 68 21.783 17.962 -2.843 1.00 25.00 H new ATOM 0 HD3 ARG A 68 23.322 18.798 -2.788 1.00 25.00 H new ATOM 0 HE ARG A 68 23.154 18.038 -5.435 1.00 25.00 H new ATOM 0 HH11 ARG A 68 20.931 19.765 -3.271 1.00 25.00 H new ATOM 0 HH12 ARG A 68 20.231 20.695 -4.600 1.00 25.00 H new ATOM 0 HH21 ARG A 68 22.236 19.239 -7.049 1.00 25.00 H new ATOM 0 HH22 ARG A 68 20.955 20.402 -6.692 1.00 25.00 H new ATOM 1052 N ALA A 69 24.884 13.834 -3.375 1.00 25.00 N ATOM 1053 CA ALA A 69 24.936 12.838 -4.453 1.00 25.00 C ATOM 1054 C ALA A 69 24.861 11.393 -3.913 1.00 25.00 C ATOM 1055 O ALA A 69 24.428 10.483 -4.618 1.00 25.00 O ATOM 1056 CB ALA A 69 26.197 13.028 -5.301 1.00 25.00 C ATOM 0 H ALA A 69 25.704 14.438 -3.324 1.00 25.00 H new ATOM 0 HA ALA A 69 24.059 12.996 -5.081 1.00 25.00 H new ATOM 0 HB1 ALA A 69 26.218 12.281 -6.094 1.00 25.00 H new ATOM 0 HB2 ALA A 69 26.193 14.025 -5.741 1.00 25.00 H new ATOM 0 HB3 ALA A 69 27.079 12.913 -4.672 1.00 25.00 H new ATOM 1062 N ARG A 70 25.290 11.177 -2.674 1.00 25.00 N ATOM 1063 CA ARG A 70 25.172 9.848 -2.063 1.00 25.00 C ATOM 1064 C ARG A 70 23.711 9.592 -1.715 1.00 25.00 C ATOM 1065 O ARG A 70 23.197 8.507 -1.935 1.00 25.00 O ATOM 1066 CB ARG A 70 26.019 9.733 -0.784 1.00 25.00 C ATOM 1067 CG ARG A 70 27.470 10.186 -0.935 1.00 25.00 C ATOM 1068 CD ARG A 70 28.278 9.374 -1.960 1.00 25.00 C ATOM 1069 NE ARG A 70 28.992 10.246 -2.922 1.00 25.00 N ATOM 1070 CZ ARG A 70 30.202 10.774 -2.747 1.00 25.00 C ATOM 1071 NH1 ARG A 70 30.908 10.579 -1.660 1.00 25.00 N ATOM 1072 NH2 ARG A 70 30.715 11.515 -3.694 1.00 25.00 N ATOM 0 H ARG A 70 25.716 11.887 -2.078 1.00 25.00 H new ATOM 0 HA ARG A 70 25.537 9.111 -2.778 1.00 25.00 H new ATOM 0 HB2 ARG A 70 25.548 10.324 0.001 1.00 25.00 H new ATOM 0 HB3 ARG A 70 26.010 8.695 -0.451 1.00 25.00 H new ATOM 0 HG2 ARG A 70 27.483 11.236 -1.228 1.00 25.00 H new ATOM 0 HG3 ARG A 70 27.963 10.120 0.035 1.00 25.00 H new ATOM 0 HD2 ARG A 70 28.999 8.745 -1.437 1.00 25.00 H new ATOM 0 HD3 ARG A 70 27.608 8.707 -2.503 1.00 25.00 H new ATOM 0 HE ARG A 70 28.514 10.461 -3.797 1.00 25.00 H new ATOM 0 HH11 ARG A 70 30.534 10.003 -0.906 1.00 25.00 H new ATOM 0 HH12 ARG A 70 31.831 11.003 -1.568 1.00 25.00 H new ATOM 0 HH21 ARG A 70 30.190 11.682 -4.552 1.00 25.00 H new ATOM 0 HH22 ARG A 70 31.641 11.926 -3.575 1.00 25.00 H new ATOM 1086 N ARG A 71 23.039 10.615 -1.197 1.00 25.00 N ATOM 1087 CA ARG A 71 21.621 10.509 -0.816 1.00 25.00 C ATOM 1088 C ARG A 71 20.758 10.394 -2.052 1.00 25.00 C ATOM 1089 O ARG A 71 19.710 9.788 -2.034 1.00 25.00 O ATOM 1090 CB ARG A 71 21.151 11.751 -0.032 1.00 25.00 C ATOM 1091 CG ARG A 71 22.158 12.326 0.970 1.00 25.00 C ATOM 1092 CD ARG A 71 22.545 11.328 2.037 1.00 25.00 C ATOM 1093 NE ARG A 71 23.665 11.840 2.843 1.00 25.00 N ATOM 1094 CZ ARG A 71 24.112 11.300 3.967 1.00 25.00 C ATOM 1095 NH1 ARG A 71 23.557 10.241 4.506 1.00 25.00 N ATOM 1096 NH2 ARG A 71 25.142 11.834 4.555 1.00 25.00 N ATOM 0 H ARG A 71 23.449 11.534 -1.028 1.00 25.00 H new ATOM 0 HA ARG A 71 21.524 9.623 -0.188 1.00 25.00 H new ATOM 0 HB2 ARG A 71 20.891 12.532 -0.747 1.00 25.00 H new ATOM 0 HB3 ARG A 71 20.238 11.494 0.505 1.00 25.00 H new ATOM 0 HG2 ARG A 71 23.052 12.649 0.437 1.00 25.00 H new ATOM 0 HG3 ARG A 71 21.731 13.211 1.442 1.00 25.00 H new ATOM 0 HD2 ARG A 71 21.689 11.126 2.681 1.00 25.00 H new ATOM 0 HD3 ARG A 71 22.826 10.382 1.573 1.00 25.00 H new ATOM 0 HE ARG A 71 24.136 12.680 2.508 1.00 25.00 H new ATOM 0 HH11 ARG A 71 22.752 9.804 4.058 1.00 25.00 H new ATOM 0 HH12 ARG A 71 23.931 9.855 5.373 1.00 25.00 H new ATOM 0 HH21 ARG A 71 25.592 12.655 4.150 1.00 25.00 H new ATOM 0 HH22 ARG A 71 25.500 11.432 5.421 1.00 25.00 H new ATOM 1110 N GLU A 72 21.207 10.999 -3.131 1.00 25.00 N ATOM 1111 CA GLU A 72 20.437 11.006 -4.375 1.00 25.00 C ATOM 1112 C GLU A 72 20.157 9.588 -4.838 1.00 25.00 C ATOM 1113 O GLU A 72 19.081 9.301 -5.325 1.00 25.00 O ATOM 1114 CB GLU A 72 21.180 11.762 -5.479 1.00 25.00 C ATOM 1115 CG GLU A 72 21.084 13.280 -5.361 1.00 25.00 C ATOM 1116 CD GLU A 72 19.847 13.836 -6.035 1.00 25.00 C ATOM 1117 OE1 GLU A 72 18.722 13.504 -5.598 1.00 25.00 O ATOM 1118 OE2 GLU A 72 20.000 14.619 -6.995 1.00 25.00 O ATOM 0 H GLU A 72 22.098 11.493 -3.181 1.00 25.00 H new ATOM 0 HA GLU A 72 19.494 11.514 -4.174 1.00 25.00 H new ATOM 0 HB2 GLU A 72 22.230 11.472 -5.461 1.00 25.00 H new ATOM 0 HB3 GLU A 72 20.781 11.457 -6.446 1.00 25.00 H new ATOM 0 HG2 GLU A 72 21.077 13.560 -4.308 1.00 25.00 H new ATOM 0 HG3 GLU A 72 21.971 13.733 -5.805 1.00 25.00 H new ATOM 1125 N GLN A 73 21.114 8.694 -4.645 1.00 25.00 N ATOM 1126 CA GLN A 73 20.971 7.304 -5.071 1.00 25.00 C ATOM 1127 C GLN A 73 19.749 6.621 -4.440 1.00 25.00 C ATOM 1128 O GLN A 73 19.009 5.922 -5.125 1.00 25.00 O ATOM 1129 CB GLN A 73 22.250 6.531 -4.735 1.00 25.00 C ATOM 1130 CG GLN A 73 23.457 7.030 -5.531 1.00 25.00 C ATOM 1131 CD GLN A 73 24.778 6.579 -4.960 1.00 25.00 C ATOM 1132 OE1 GLN A 73 25.014 5.401 -4.737 1.00 25.00 O ATOM 1133 NE2 GLN A 73 25.662 7.518 -4.750 1.00 25.00 N ATOM 0 H GLN A 73 22.004 8.905 -4.194 1.00 25.00 H new ATOM 0 HA GLN A 73 20.811 7.302 -6.149 1.00 25.00 H new ATOM 0 HB2 GLN A 73 22.458 6.623 -3.669 1.00 25.00 H new ATOM 0 HB3 GLN A 73 22.096 5.472 -4.940 1.00 25.00 H new ATOM 0 HG2 GLN A 73 23.375 6.679 -6.560 1.00 25.00 H new ATOM 0 HG3 GLN A 73 23.436 8.119 -5.564 1.00 25.00 H new ATOM 0 HE21 GLN A 73 25.429 8.491 -4.948 1.00 25.00 H new ATOM 0 HE22 GLN A 73 26.585 7.278 -4.388 1.00 25.00 H new ATOM 1142 N GLU A 74 19.517 6.837 -3.152 1.00 25.00 N ATOM 1143 CA GLU A 74 18.334 6.266 -2.495 1.00 25.00 C ATOM 1144 C GLU A 74 17.066 7.083 -2.793 1.00 25.00 C ATOM 1145 O GLU A 74 15.977 6.521 -2.899 1.00 25.00 O ATOM 1146 CB GLU A 74 18.554 6.118 -0.975 1.00 25.00 C ATOM 1147 CG GLU A 74 19.052 7.371 -0.280 1.00 25.00 C ATOM 1148 CD GLU A 74 19.285 7.187 1.205 1.00 25.00 C ATOM 1149 OE1 GLU A 74 19.882 6.160 1.599 1.00 25.00 O ATOM 1150 OE2 GLU A 74 18.973 8.123 1.969 1.00 25.00 O ATOM 0 H GLU A 74 20.118 7.393 -2.544 1.00 25.00 H new ATOM 0 HA GLU A 74 18.185 5.270 -2.911 1.00 25.00 H new ATOM 0 HB2 GLU A 74 17.615 5.813 -0.514 1.00 25.00 H new ATOM 0 HB3 GLU A 74 19.270 5.314 -0.802 1.00 25.00 H new ATOM 0 HG2 GLU A 74 19.983 7.691 -0.749 1.00 25.00 H new ATOM 0 HG3 GLU A 74 18.328 8.172 -0.429 1.00 25.00 H new ATOM 1157 N ARG A 75 17.201 8.396 -2.967 1.00 25.00 N ATOM 1158 CA ARG A 75 16.027 9.241 -3.249 1.00 25.00 C ATOM 1159 C ARG A 75 15.422 8.953 -4.619 1.00 25.00 C ATOM 1160 O ARG A 75 14.202 8.832 -4.743 1.00 25.00 O ATOM 1161 CB ARG A 75 16.366 10.733 -3.136 1.00 25.00 C ATOM 1162 CG ARG A 75 16.711 11.185 -1.713 1.00 25.00 C ATOM 1163 CD ARG A 75 16.672 12.705 -1.590 1.00 25.00 C ATOM 1164 NE ARG A 75 17.552 13.224 -0.518 1.00 25.00 N ATOM 1165 CZ ARG A 75 17.307 13.173 0.789 1.00 25.00 C ATOM 1166 NH1 ARG A 75 16.239 12.603 1.295 1.00 25.00 N ATOM 1167 NH2 ARG A 75 18.163 13.716 1.602 1.00 25.00 N ATOM 0 H ARG A 75 18.089 8.896 -2.921 1.00 25.00 H new ATOM 0 HA ARG A 75 15.285 8.990 -2.492 1.00 25.00 H new ATOM 0 HB2 ARG A 75 17.208 10.955 -3.791 1.00 25.00 H new ATOM 0 HB3 ARG A 75 15.519 11.316 -3.497 1.00 25.00 H new ATOM 0 HG2 ARG A 75 16.007 10.743 -1.008 1.00 25.00 H new ATOM 0 HG3 ARG A 75 17.703 10.821 -1.444 1.00 25.00 H new ATOM 0 HD2 ARG A 75 16.968 13.148 -2.541 1.00 25.00 H new ATOM 0 HD3 ARG A 75 15.647 13.022 -1.396 1.00 25.00 H new ATOM 0 HE ARG A 75 18.427 13.661 -0.808 1.00 25.00 H new ATOM 0 HH11 ARG A 75 15.550 12.172 0.678 1.00 25.00 H new ATOM 0 HH12 ARG A 75 16.098 12.591 2.305 1.00 25.00 H new ATOM 0 HH21 ARG A 75 19.000 14.168 1.234 1.00 25.00 H new ATOM 0 HH22 ARG A 75 17.998 13.690 2.608 1.00 25.00 H new ATOM 1181 N ILE A 76 16.247 8.816 -5.648 1.00 25.00 N ATOM 1182 CA ILE A 76 15.731 8.537 -6.995 1.00 25.00 C ATOM 1183 C ILE A 76 15.214 7.106 -7.111 1.00 25.00 C ATOM 1184 O ILE A 76 14.437 6.798 -8.011 1.00 25.00 O ATOM 1185 CB ILE A 76 16.782 8.814 -8.120 1.00 25.00 C ATOM 1186 CG1 ILE A 76 17.937 7.791 -8.067 1.00 25.00 C ATOM 1187 CG2 ILE A 76 17.279 10.288 -8.025 1.00 25.00 C ATOM 1188 CD1 ILE A 76 18.986 7.953 -9.179 1.00 25.00 C ATOM 0 H ILE A 76 17.262 8.891 -5.586 1.00 25.00 H new ATOM 0 HA ILE A 76 14.902 9.229 -7.142 1.00 25.00 H new ATOM 0 HB ILE A 76 16.309 8.687 -9.094 1.00 25.00 H new ATOM 0 HG12 ILE A 76 18.435 7.874 -7.101 1.00 25.00 H new ATOM 0 HG13 ILE A 76 17.518 6.786 -8.124 1.00 25.00 H new ATOM 0 HG21 ILE A 76 18.011 10.477 -8.810 1.00 25.00 H new ATOM 0 HG22 ILE A 76 16.434 10.965 -8.146 1.00 25.00 H new ATOM 0 HG23 ILE A 76 17.740 10.454 -7.052 1.00 25.00 H new ATOM 0 HD11 ILE A 76 19.759 7.193 -9.064 1.00 25.00 H new ATOM 0 HD12 ILE A 76 18.506 7.838 -10.151 1.00 25.00 H new ATOM 0 HD13 ILE A 76 19.437 8.943 -9.112 1.00 25.00 H new ATOM 1200 N ARG A 77 15.627 6.236 -6.193 1.00 25.00 N ATOM 1201 CA ARG A 77 15.147 4.851 -6.170 1.00 25.00 C ATOM 1202 C ARG A 77 13.657 4.861 -5.838 1.00 25.00 C ATOM 1203 O ARG A 77 12.920 3.947 -6.222 1.00 25.00 O ATOM 1204 CB ARG A 77 15.940 4.042 -5.131 1.00 25.00 C ATOM 1205 CG ARG A 77 15.871 2.512 -5.292 1.00 25.00 C ATOM 1206 CD ARG A 77 14.722 1.870 -4.511 1.00 25.00 C ATOM 1207 NE ARG A 77 14.855 2.067 -3.060 1.00 25.00 N ATOM 1208 CZ ARG A 77 13.907 1.801 -2.168 1.00 25.00 C ATOM 1209 NH1 ARG A 77 12.733 1.330 -2.506 1.00 25.00 N ATOM 1210 NH2 ARG A 77 14.144 2.014 -0.911 1.00 25.00 N ATOM 0 H ARG A 77 16.293 6.462 -5.454 1.00 25.00 H new ATOM 0 HA ARG A 77 15.294 4.380 -7.142 1.00 25.00 H new ATOM 0 HB2 ARG A 77 16.985 4.348 -5.178 1.00 25.00 H new ATOM 0 HB3 ARG A 77 15.575 4.303 -4.137 1.00 25.00 H new ATOM 0 HG2 ARG A 77 15.762 2.270 -6.349 1.00 25.00 H new ATOM 0 HG3 ARG A 77 16.814 2.076 -4.961 1.00 25.00 H new ATOM 0 HD2 ARG A 77 13.776 2.293 -4.848 1.00 25.00 H new ATOM 0 HD3 ARG A 77 14.689 0.803 -4.729 1.00 25.00 H new ATOM 0 HE ARG A 77 15.741 2.435 -2.713 1.00 25.00 H new ATOM 0 HH11 ARG A 77 12.518 1.153 -3.487 1.00 25.00 H new ATOM 0 HH12 ARG A 77 12.034 1.140 -1.788 1.00 25.00 H new ATOM 0 HH21 ARG A 77 15.049 2.381 -0.618 1.00 25.00 H new ATOM 0 HH22 ARG A 77 13.425 1.814 -0.215 1.00 25.00 H new ATOM 1224 N LEU A 78 13.239 5.932 -5.160 1.00 25.00 N ATOM 1225 CA LEU A 78 11.859 6.178 -4.758 1.00 25.00 C ATOM 1226 C LEU A 78 11.352 5.059 -3.833 1.00 25.00 C ATOM 1227 O LEU A 78 12.104 4.164 -3.453 1.00 25.00 O ATOM 1228 CB LEU A 78 11.012 6.371 -6.027 1.00 25.00 C ATOM 1229 CG LEU A 78 9.594 6.970 -5.958 1.00 25.00 C ATOM 1230 CD1 LEU A 78 9.616 8.390 -5.375 1.00 25.00 C ATOM 1231 CD2 LEU A 78 8.979 6.993 -7.354 1.00 25.00 C ATOM 0 H LEU A 78 13.875 6.674 -4.868 1.00 25.00 H new ATOM 0 HA LEU A 78 11.781 7.090 -4.167 1.00 25.00 H new ATOM 0 HB2 LEU A 78 11.591 7.001 -6.703 1.00 25.00 H new ATOM 0 HB3 LEU A 78 10.922 5.394 -6.501 1.00 25.00 H new ATOM 0 HG LEU A 78 8.991 6.344 -5.300 1.00 25.00 H new ATOM 0 HD11 LEU A 78 8.601 8.785 -5.340 1.00 25.00 H new ATOM 0 HD12 LEU A 78 10.030 8.363 -4.367 1.00 25.00 H new ATOM 0 HD13 LEU A 78 10.233 9.032 -6.004 1.00 25.00 H new ATOM 0 HD21 LEU A 78 7.976 7.417 -7.303 1.00 25.00 H new ATOM 0 HD22 LEU A 78 9.597 7.602 -8.014 1.00 25.00 H new ATOM 0 HD23 LEU A 78 8.924 5.977 -7.744 1.00 25.00 H new ATOM 1243 N PHE A 79 10.101 5.178 -3.399 1.00 25.00 N ATOM 1244 CA PHE A 79 9.467 4.260 -2.463 1.00 25.00 C ATOM 1245 C PHE A 79 10.252 4.084 -1.166 1.00 25.00 C ATOM 1246 O PHE A 79 10.214 3.037 -0.518 1.00 25.00 O ATOM 1247 CB PHE A 79 9.256 2.921 -3.123 1.00 25.00 C ATOM 1248 CG PHE A 79 8.629 3.013 -4.490 1.00 25.00 C ATOM 1249 CD1 PHE A 79 9.432 2.919 -5.644 1.00 25.00 C ATOM 1250 CD2 PHE A 79 7.240 3.199 -4.636 1.00 25.00 C ATOM 1251 CE1 PHE A 79 8.857 3.019 -6.933 1.00 25.00 C ATOM 1252 CE2 PHE A 79 6.654 3.295 -5.921 1.00 25.00 C ATOM 1253 CZ PHE A 79 7.466 3.207 -7.071 1.00 25.00 C ATOM 0 H PHE A 79 9.486 5.935 -3.697 1.00 25.00 H new ATOM 0 HA PHE A 79 8.509 4.702 -2.190 1.00 25.00 H new ATOM 0 HB2 PHE A 79 10.216 2.412 -3.207 1.00 25.00 H new ATOM 0 HB3 PHE A 79 8.623 2.306 -2.483 1.00 25.00 H new ATOM 0 HD1 PHE A 79 10.497 2.769 -5.544 1.00 25.00 H new ATOM 0 HD2 PHE A 79 6.615 3.269 -3.758 1.00 25.00 H new ATOM 0 HE1 PHE A 79 9.483 2.951 -7.811 1.00 25.00 H new ATOM 0 HE2 PHE A 79 5.588 3.435 -6.021 1.00 25.00 H new ATOM 0 HZ PHE A 79 7.024 3.283 -8.054 1.00 25.00 H new ATOM 1263 N SER A 80 10.954 5.140 -0.809 1.00 25.00 N ATOM 1264 CA SER A 80 11.755 5.197 0.404 1.00 25.00 C ATOM 1265 C SER A 80 11.301 6.416 1.182 1.00 25.00 C ATOM 1266 O SER A 80 11.637 7.547 0.842 1.00 25.00 O ATOM 1267 CB SER A 80 13.246 5.298 0.057 1.00 25.00 C ATOM 1268 OG SER A 80 13.982 4.312 0.756 1.00 25.00 O ATOM 0 H SER A 80 10.987 5.998 -1.360 1.00 25.00 H new ATOM 0 HA SER A 80 11.623 4.293 0.999 1.00 25.00 H new ATOM 0 HB2 SER A 80 13.386 5.172 -1.017 1.00 25.00 H new ATOM 0 HB3 SER A 80 13.619 6.290 0.313 1.00 25.00 H new ATOM 0 HG SER A 80 13.693 4.290 1.692 1.00 25.00 H new ATOM 1274 N ALA A 81 10.481 6.183 2.198 1.00 25.00 N ATOM 1275 CA ALA A 81 9.961 7.250 3.060 1.00 25.00 C ATOM 1276 C ALA A 81 10.966 7.532 4.193 1.00 25.00 C ATOM 1277 O ALA A 81 10.598 7.628 5.364 1.00 25.00 O ATOM 1278 CB ALA A 81 8.602 6.832 3.630 1.00 25.00 C ATOM 0 H ALA A 81 10.154 5.251 2.453 1.00 25.00 H new ATOM 0 HA ALA A 81 9.827 8.163 2.479 1.00 25.00 H new ATOM 0 HB1 ALA A 81 8.216 7.625 4.270 1.00 25.00 H new ATOM 0 HB2 ALA A 81 7.904 6.654 2.812 1.00 25.00 H new ATOM 0 HB3 ALA A 81 8.718 5.919 4.214 1.00 25.00 H new ATOM 1284 N ASP A 82 12.232 7.553 3.828 1.00 25.00 N ATOM 1285 CA ASP A 82 13.330 7.644 4.781 1.00 25.00 C ATOM 1286 C ASP A 82 13.558 9.074 5.289 1.00 25.00 C ATOM 1287 O ASP A 82 13.179 10.048 4.631 1.00 25.00 O ATOM 1288 CB ASP A 82 14.599 7.110 4.108 1.00 25.00 C ATOM 1289 CG ASP A 82 14.605 5.595 4.032 1.00 25.00 C ATOM 1290 OD1 ASP A 82 13.809 5.025 3.249 1.00 25.00 O ATOM 1291 OD2 ASP A 82 15.356 4.967 4.800 1.00 25.00 O ATOM 0 H ASP A 82 12.535 7.507 2.855 1.00 25.00 H new ATOM 0 HA ASP A 82 13.074 7.046 5.656 1.00 25.00 H new ATOM 0 HB2 ASP A 82 14.678 7.524 3.103 1.00 25.00 H new ATOM 0 HB3 ASP A 82 15.474 7.449 4.663 1.00 25.00 H new ATOM 1296 N PRO A 83 14.178 9.217 6.482 1.00 25.00 N ATOM 1297 CA PRO A 83 14.447 10.539 7.059 1.00 25.00 C ATOM 1298 C PRO A 83 15.621 11.263 6.381 1.00 25.00 C ATOM 1299 O PRO A 83 16.038 10.898 5.290 1.00 25.00 O ATOM 1300 CB PRO A 83 14.763 10.193 8.519 1.00 25.00 C ATOM 1301 CG PRO A 83 15.443 8.902 8.426 1.00 25.00 C ATOM 1302 CD PRO A 83 14.664 8.149 7.382 1.00 25.00 C ATOM 0 HA PRO A 83 13.615 11.232 6.934 1.00 25.00 H new ATOM 0 HB2 PRO A 83 15.398 10.948 8.982 1.00 25.00 H new ATOM 0 HB3 PRO A 83 13.857 10.126 9.121 1.00 25.00 H new ATOM 0 HG2 PRO A 83 16.487 9.022 8.135 1.00 25.00 H new ATOM 0 HG3 PRO A 83 15.437 8.379 9.382 1.00 25.00 H new ATOM 0 HD2 PRO A 83 15.291 7.431 6.853 1.00 25.00 H new ATOM 0 HD3 PRO A 83 13.840 7.588 7.822 1.00 25.00 H new ATOM 1310 N PHE A 84 16.148 12.289 7.050 1.00 25.00 N ATOM 1311 CA PHE A 84 17.244 13.127 6.532 1.00 25.00 C ATOM 1312 C PHE A 84 16.726 13.892 5.312 1.00 25.00 C ATOM 1313 O PHE A 84 17.448 14.199 4.364 1.00 25.00 O ATOM 1314 CB PHE A 84 18.505 12.296 6.225 1.00 25.00 C ATOM 1315 CG PHE A 84 19.792 13.046 6.429 1.00 25.00 C ATOM 1316 CD1 PHE A 84 20.562 13.467 5.327 1.00 25.00 C ATOM 1317 CD2 PHE A 84 20.245 13.330 7.729 1.00 25.00 C ATOM 1318 CE1 PHE A 84 21.786 14.160 5.519 1.00 25.00 C ATOM 1319 CE2 PHE A 84 21.466 14.023 7.935 1.00 25.00 C ATOM 1320 CZ PHE A 84 22.237 14.437 6.831 1.00 25.00 C ATOM 0 H PHE A 84 15.827 12.569 7.977 1.00 25.00 H new ATOM 0 HA PHE A 84 17.555 13.844 7.292 1.00 25.00 H new ATOM 0 HB2 PHE A 84 18.508 11.410 6.859 1.00 25.00 H new ATOM 0 HB3 PHE A 84 18.457 11.949 5.193 1.00 25.00 H new ATOM 0 HD1 PHE A 84 20.217 13.260 4.325 1.00 25.00 H new ATOM 0 HD2 PHE A 84 19.658 13.018 8.580 1.00 25.00 H new ATOM 0 HE1 PHE A 84 22.370 14.474 4.667 1.00 25.00 H new ATOM 0 HE2 PHE A 84 21.804 14.233 8.939 1.00 25.00 H new ATOM 0 HZ PHE A 84 23.167 14.963 6.985 1.00 25.00 H new ATOM 1330 N ASP A 85 15.450 14.227 5.393 1.00 25.00 N ATOM 1331 CA ASP A 85 14.727 14.986 4.378 1.00 25.00 C ATOM 1332 C ASP A 85 14.852 16.478 4.612 1.00 25.00 C ATOM 1333 O ASP A 85 13.968 17.246 4.289 1.00 25.00 O ATOM 1334 CB ASP A 85 13.238 14.614 4.425 1.00 25.00 C ATOM 1335 CG ASP A 85 12.597 14.958 5.778 1.00 25.00 C ATOM 1336 OD1 ASP A 85 13.085 14.454 6.825 1.00 25.00 O ATOM 1337 OD2 ASP A 85 11.652 15.772 5.806 1.00 25.00 O ATOM 0 H ASP A 85 14.867 13.972 6.190 1.00 25.00 H new ATOM 0 HA ASP A 85 15.159 14.741 3.408 1.00 25.00 H new ATOM 0 HB2 ASP A 85 12.709 15.139 3.630 1.00 25.00 H new ATOM 0 HB3 ASP A 85 13.125 13.547 4.232 1.00 25.00 H new ATOM 1342 N LEU A 86 15.985 16.887 5.138 1.00 25.00 N ATOM 1343 CA LEU A 86 16.242 18.307 5.384 1.00 25.00 C ATOM 1344 C LEU A 86 16.245 19.074 4.061 1.00 25.00 C ATOM 1345 O LEU A 86 15.893 20.244 4.004 1.00 25.00 O ATOM 1346 CB LEU A 86 17.568 18.489 6.139 1.00 25.00 C ATOM 1347 CG LEU A 86 18.852 18.002 5.445 1.00 25.00 C ATOM 1348 CD1 LEU A 86 19.644 19.192 4.897 1.00 25.00 C ATOM 1349 CD2 LEU A 86 19.701 17.212 6.442 1.00 25.00 C ATOM 0 H LEU A 86 16.748 16.266 5.407 1.00 25.00 H new ATOM 0 HA LEU A 86 15.446 18.711 6.010 1.00 25.00 H new ATOM 0 HB2 LEU A 86 17.687 19.550 6.360 1.00 25.00 H new ATOM 0 HB3 LEU A 86 17.485 17.971 7.095 1.00 25.00 H new ATOM 0 HG LEU A 86 18.585 17.355 4.610 1.00 25.00 H new ATOM 0 HD11 LEU A 86 20.550 18.832 4.409 1.00 25.00 H new ATOM 0 HD12 LEU A 86 19.033 19.734 4.175 1.00 25.00 H new ATOM 0 HD13 LEU A 86 19.914 19.858 5.717 1.00 25.00 H new ATOM 0 HD21 LEU A 86 20.611 16.866 5.951 1.00 25.00 H new ATOM 0 HD22 LEU A 86 19.963 17.852 7.284 1.00 25.00 H new ATOM 0 HD23 LEU A 86 19.134 16.353 6.802 1.00 25.00 H new ATOM 1361 N GLU A 87 16.568 18.355 2.995 1.00 25.00 N ATOM 1362 CA GLU A 87 16.550 18.885 1.628 1.00 25.00 C ATOM 1363 C GLU A 87 15.117 19.140 1.142 1.00 25.00 C ATOM 1364 O GLU A 87 14.895 19.923 0.230 1.00 25.00 O ATOM 1365 CB GLU A 87 17.184 17.855 0.680 1.00 25.00 C ATOM 1366 CG GLU A 87 18.681 17.608 0.904 1.00 25.00 C ATOM 1367 CD GLU A 87 19.561 18.436 -0.028 1.00 25.00 C ATOM 1368 OE1 GLU A 87 20.208 17.841 -0.920 1.00 25.00 O ATOM 1369 OE2 GLU A 87 19.620 19.671 0.133 1.00 25.00 O ATOM 0 H GLU A 87 16.853 17.377 3.050 1.00 25.00 H new ATOM 0 HA GLU A 87 17.103 19.825 1.629 1.00 25.00 H new ATOM 0 HB2 GLU A 87 16.654 16.909 0.788 1.00 25.00 H new ATOM 0 HB3 GLU A 87 17.035 18.188 -0.347 1.00 25.00 H new ATOM 0 HG2 GLU A 87 18.933 17.843 1.938 1.00 25.00 H new ATOM 0 HG3 GLU A 87 18.897 16.550 0.756 1.00 25.00 H new ATOM 1376 N ALA A 88 14.155 18.439 1.731 1.00 25.00 N ATOM 1377 CA ALA A 88 12.758 18.523 1.316 1.00 25.00 C ATOM 1378 C ALA A 88 12.019 19.628 2.070 1.00 25.00 C ATOM 1379 O ALA A 88 10.832 19.863 1.858 1.00 25.00 O ATOM 1380 CB ALA A 88 12.058 17.176 1.547 1.00 25.00 C ATOM 0 H ALA A 88 14.320 17.798 2.507 1.00 25.00 H new ATOM 0 HA ALA A 88 12.738 18.765 0.253 1.00 25.00 H new ATOM 0 HB1 ALA A 88 11.016 17.249 1.234 1.00 25.00 H new ATOM 0 HB2 ALA A 88 12.558 16.402 0.965 1.00 25.00 H new ATOM 0 HB3 ALA A 88 12.102 16.920 2.606 1.00 25.00 H new ATOM 1386 N GLN A 89 12.716 20.251 3.004 1.00 25.00 N ATOM 1387 CA GLN A 89 12.109 21.230 3.891 1.00 25.00 C ATOM 1388 C GLN A 89 12.561 22.648 3.570 1.00 25.00 C ATOM 1389 O GLN A 89 13.750 22.949 3.524 1.00 25.00 O ATOM 1390 CB GLN A 89 12.473 20.908 5.334 1.00 25.00 C ATOM 1391 CG GLN A 89 11.989 19.555 5.828 1.00 25.00 C ATOM 1392 CD GLN A 89 12.569 19.208 7.182 1.00 25.00 C ATOM 1393 OE1 GLN A 89 13.025 20.087 7.916 1.00 25.00 O ATOM 1394 NE2 GLN A 89 12.572 17.945 7.518 1.00 25.00 N ATOM 0 H GLN A 89 13.710 20.095 3.169 1.00 25.00 H new ATOM 0 HA GLN A 89 11.030 21.177 3.748 1.00 25.00 H new ATOM 0 HB2 GLN A 89 13.557 20.950 5.438 1.00 25.00 H new ATOM 0 HB3 GLN A 89 12.060 21.683 5.979 1.00 25.00 H new ATOM 0 HG2 GLN A 89 10.901 19.559 5.890 1.00 25.00 H new ATOM 0 HG3 GLN A 89 12.265 18.785 5.107 1.00 25.00 H new ATOM 0 HE21 GLN A 89 12.185 17.247 6.883 1.00 25.00 H new ATOM 0 HE22 GLN A 89 12.961 17.657 8.416 1.00 25.00 H new ATOM 1403 N ALA A 90 11.593 23.527 3.420 1.00 25.00 N ATOM 1404 CA ALA A 90 11.838 24.935 3.153 1.00 25.00 C ATOM 1405 C ALA A 90 10.617 25.658 3.690 1.00 25.00 C ATOM 1406 O ALA A 90 9.634 25.016 4.058 1.00 25.00 O ATOM 1407 CB ALA A 90 11.993 25.178 1.643 1.00 25.00 C ATOM 0 H ALA A 90 10.604 23.286 3.480 1.00 25.00 H new ATOM 0 HA ALA A 90 12.757 25.287 3.622 1.00 25.00 H new ATOM 0 HB1 ALA A 90 12.176 26.237 1.462 1.00 25.00 H new ATOM 0 HB2 ALA A 90 12.833 24.595 1.265 1.00 25.00 H new ATOM 0 HB3 ALA A 90 11.080 24.874 1.130 1.00 25.00 H new ATOM 1413 N LYS A 91 10.653 26.980 3.690 1.00 25.00 N ATOM 1414 CA LYS A 91 9.492 27.775 4.024 1.00 25.00 C ATOM 1415 C LYS A 91 9.374 28.779 2.902 1.00 25.00 C ATOM 1416 O LYS A 91 10.377 29.111 2.277 1.00 25.00 O ATOM 1417 CB LYS A 91 9.667 28.462 5.379 1.00 25.00 C ATOM 1418 CG LYS A 91 10.791 29.511 5.451 1.00 25.00 C ATOM 1419 CD LYS A 91 10.780 30.213 6.805 1.00 25.00 C ATOM 1420 CE LYS A 91 11.712 31.425 6.814 1.00 25.00 C ATOM 1421 NZ LYS A 91 11.442 32.287 8.022 1.00 25.00 N ATOM 0 H LYS A 91 11.483 27.526 3.460 1.00 25.00 H new ATOM 0 HA LYS A 91 8.591 27.169 4.118 1.00 25.00 H new ATOM 0 HB2 LYS A 91 8.727 28.944 5.646 1.00 25.00 H new ATOM 0 HB3 LYS A 91 9.859 27.698 6.132 1.00 25.00 H new ATOM 0 HG2 LYS A 91 11.756 29.030 5.292 1.00 25.00 H new ATOM 0 HG3 LYS A 91 10.665 30.244 4.654 1.00 25.00 H new ATOM 0 HD2 LYS A 91 9.765 30.531 7.043 1.00 25.00 H new ATOM 0 HD3 LYS A 91 11.085 29.512 7.582 1.00 25.00 H new ATOM 0 HE2 LYS A 91 12.750 31.093 6.821 1.00 25.00 H new ATOM 0 HE3 LYS A 91 11.570 32.008 5.904 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 11.706 33.271 7.812 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 10.431 32.243 8.261 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 12.003 31.942 8.827 1.00 25.00 H new ATOM 1435 N ILE A 92 8.166 29.244 2.640 1.00 25.00 N ATOM 1436 CA ILE A 92 7.928 30.228 1.597 1.00 25.00 C ATOM 1437 C ILE A 92 7.165 31.325 2.303 1.00 25.00 C ATOM 1438 O ILE A 92 6.099 31.089 2.861 1.00 25.00 O ATOM 1439 CB ILE A 92 7.099 29.645 0.405 1.00 25.00 C ATOM 1440 CG1 ILE A 92 7.858 28.464 -0.246 1.00 25.00 C ATOM 1441 CG2 ILE A 92 6.825 30.758 -0.650 1.00 25.00 C ATOM 1442 CD1 ILE A 92 7.036 27.657 -1.271 1.00 25.00 C ATOM 0 H ILE A 92 7.326 28.953 3.140 1.00 25.00 H new ATOM 0 HA ILE A 92 8.858 30.574 1.146 1.00 25.00 H new ATOM 0 HB ILE A 92 6.145 29.279 0.785 1.00 25.00 H new ATOM 0 HG12 ILE A 92 8.750 28.851 -0.739 1.00 25.00 H new ATOM 0 HG13 ILE A 92 8.196 27.789 0.540 1.00 25.00 H new ATOM 0 HG21 ILE A 92 6.247 30.342 -1.476 1.00 25.00 H new ATOM 0 HG22 ILE A 92 6.263 31.569 -0.186 1.00 25.00 H new ATOM 0 HG23 ILE A 92 7.772 31.143 -1.027 1.00 25.00 H new ATOM 0 HD11 ILE A 92 7.648 26.851 -1.675 1.00 25.00 H new ATOM 0 HD12 ILE A 92 6.158 27.236 -0.782 1.00 25.00 H new ATOM 0 HD13 ILE A 92 6.720 28.313 -2.082 1.00 25.00 H new ATOM 1454 N GLU A 93 7.762 32.502 2.350 1.00 25.00 N ATOM 1455 CA GLU A 93 7.178 33.640 3.036 1.00 25.00 C ATOM 1456 C GLU A 93 7.201 34.809 2.081 1.00 25.00 C ATOM 1457 O GLU A 93 8.215 35.058 1.427 1.00 25.00 O ATOM 1458 CB GLU A 93 7.995 33.989 4.279 1.00 25.00 C ATOM 1459 CG GLU A 93 7.940 32.920 5.364 1.00 25.00 C ATOM 1460 CD GLU A 93 8.787 33.271 6.579 1.00 25.00 C ATOM 1461 OE1 GLU A 93 8.574 32.660 7.648 1.00 25.00 O ATOM 1462 OE2 GLU A 93 9.766 34.041 6.444 1.00 25.00 O ATOM 0 H GLU A 93 8.664 32.696 1.915 1.00 25.00 H new ATOM 0 HA GLU A 93 6.160 33.406 3.348 1.00 25.00 H new ATOM 0 HB2 GLU A 93 9.034 34.147 3.989 1.00 25.00 H new ATOM 0 HB3 GLU A 93 7.632 34.931 4.690 1.00 25.00 H new ATOM 0 HG2 GLU A 93 6.905 32.778 5.676 1.00 25.00 H new ATOM 0 HG3 GLU A 93 8.281 31.971 4.951 1.00 25.00 H new ATOM 1469 N GLU A 94 6.099 35.527 2.006 1.00 25.00 N ATOM 1470 CA GLU A 94 6.024 36.718 1.183 1.00 25.00 C ATOM 1471 C GLU A 94 5.880 37.895 2.134 1.00 25.00 C ATOM 1472 O GLU A 94 5.229 37.799 3.171 1.00 25.00 O ATOM 1473 CB GLU A 94 4.865 36.641 0.176 1.00 25.00 C ATOM 1474 CG GLU A 94 3.464 36.523 0.792 1.00 25.00 C ATOM 1475 CD GLU A 94 2.374 36.383 -0.269 1.00 25.00 C ATOM 1476 OE1 GLU A 94 1.201 36.187 0.109 1.00 25.00 O ATOM 1477 OE2 GLU A 94 2.686 36.487 -1.477 1.00 25.00 O ATOM 0 H GLU A 94 5.239 35.305 2.507 1.00 25.00 H new ATOM 0 HA GLU A 94 6.923 36.828 0.576 1.00 25.00 H new ATOM 0 HB2 GLU A 94 4.893 37.531 -0.453 1.00 25.00 H new ATOM 0 HB3 GLU A 94 5.030 35.784 -0.477 1.00 25.00 H new ATOM 0 HG2 GLU A 94 3.434 35.660 1.457 1.00 25.00 H new ATOM 0 HG3 GLU A 94 3.263 37.403 1.403 1.00 25.00 H new ATOM 1484 N ASP A 95 6.554 38.987 1.811 1.00 25.00 N ATOM 1485 CA ASP A 95 6.569 40.177 2.662 1.00 25.00 C ATOM 1486 C ASP A 95 6.587 41.392 1.740 1.00 25.00 C ATOM 1487 O ASP A 95 7.473 42.242 1.793 1.00 25.00 O ATOM 1488 CB ASP A 95 7.781 40.148 3.602 1.00 25.00 C ATOM 1489 CG ASP A 95 7.756 41.268 4.639 1.00 25.00 C ATOM 1490 OD1 ASP A 95 6.706 41.918 4.815 1.00 25.00 O ATOM 1491 OD2 ASP A 95 8.814 41.502 5.279 1.00 25.00 O ATOM 0 H ASP A 95 7.105 39.079 0.957 1.00 25.00 H new ATOM 0 HA ASP A 95 5.687 40.217 3.301 1.00 25.00 H new ATOM 0 HB2 ASP A 95 7.814 39.186 4.114 1.00 25.00 H new ATOM 0 HB3 ASP A 95 8.694 40.227 3.012 1.00 25.00 H new ATOM 1496 N ILE A 96 5.603 41.384 0.844 1.00 25.00 N ATOM 1497 CA ILE A 96 5.304 42.437 -0.153 1.00 25.00 C ATOM 1498 C ILE A 96 6.449 43.235 -0.831 1.00 25.00 C ATOM 1499 O ILE A 96 6.229 44.352 -1.315 1.00 25.00 O ATOM 1500 CB ILE A 96 4.237 43.431 0.426 1.00 25.00 C ATOM 1501 CG1 ILE A 96 4.785 44.196 1.647 1.00 25.00 C ATOM 1502 CG2 ILE A 96 2.951 42.645 0.827 1.00 25.00 C ATOM 1503 CD1 ILE A 96 3.943 45.421 2.053 1.00 25.00 C ATOM 0 H ILE A 96 4.950 40.603 0.782 1.00 25.00 H new ATOM 0 HA ILE A 96 4.946 41.835 -0.988 1.00 25.00 H new ATOM 0 HB ILE A 96 3.997 44.160 -0.348 1.00 25.00 H new ATOM 0 HG12 ILE A 96 4.844 43.512 2.494 1.00 25.00 H new ATOM 0 HG13 ILE A 96 5.802 44.523 1.430 1.00 25.00 H new ATOM 0 HG21 ILE A 96 2.212 43.338 1.229 1.00 25.00 H new ATOM 0 HG22 ILE A 96 2.541 42.146 -0.051 1.00 25.00 H new ATOM 0 HG23 ILE A 96 3.200 41.901 1.584 1.00 25.00 H new ATOM 0 HD11 ILE A 96 4.396 45.903 2.919 1.00 25.00 H new ATOM 0 HD12 ILE A 96 3.905 46.127 1.224 1.00 25.00 H new ATOM 0 HD13 ILE A 96 2.932 45.101 2.304 1.00 25.00 H new ATOM 1515 N ARG A 97 7.628 42.639 -0.974 1.00 25.00 N ATOM 1516 CA ARG A 97 8.749 43.273 -1.701 1.00 25.00 C ATOM 1517 C ARG A 97 8.624 43.034 -3.207 1.00 25.00 C ATOM 1518 O ARG A 97 9.516 42.494 -3.843 1.00 25.00 O ATOM 1519 CB ARG A 97 10.099 42.733 -1.200 1.00 25.00 C ATOM 1520 CG ARG A 97 10.476 43.226 0.185 1.00 25.00 C ATOM 1521 CD ARG A 97 11.771 42.582 0.669 1.00 25.00 C ATOM 1522 NE ARG A 97 12.173 43.085 1.998 1.00 25.00 N ATOM 1523 CZ ARG A 97 11.618 42.730 3.153 1.00 25.00 C ATOM 1524 NH1 ARG A 97 10.636 41.884 3.213 1.00 25.00 N ATOM 1525 NH2 ARG A 97 12.044 43.250 4.269 1.00 25.00 N ATOM 0 H ARG A 97 7.843 41.715 -0.599 1.00 25.00 H new ATOM 0 HA ARG A 97 8.705 44.345 -1.510 1.00 25.00 H new ATOM 0 HB2 ARG A 97 10.064 41.644 -1.191 1.00 25.00 H new ATOM 0 HB3 ARG A 97 10.880 43.021 -1.904 1.00 25.00 H new ATOM 0 HG2 ARG A 97 10.590 44.310 0.169 1.00 25.00 H new ATOM 0 HG3 ARG A 97 9.671 43.001 0.885 1.00 25.00 H new ATOM 0 HD2 ARG A 97 11.644 41.500 0.713 1.00 25.00 H new ATOM 0 HD3 ARG A 97 12.566 42.780 -0.050 1.00 25.00 H new ATOM 0 HE ARG A 97 12.938 43.759 2.033 1.00 25.00 H new ATOM 0 HH11 ARG A 97 10.267 41.470 2.357 1.00 25.00 H new ATOM 0 HH12 ARG A 97 10.233 41.633 4.116 1.00 25.00 H new ATOM 0 HH21 ARG A 97 12.804 43.930 4.257 1.00 25.00 H new ATOM 0 HH22 ARG A 97 11.617 42.977 5.154 1.00 25.00 H new ATOM 1539 N GLN A 98 7.484 43.489 -3.741 1.00 25.00 N ATOM 1540 CA GLN A 98 7.093 43.441 -5.168 1.00 25.00 C ATOM 1541 C GLN A 98 7.672 42.240 -5.958 1.00 25.00 C ATOM 1542 O GLN A 98 8.354 42.301 -6.955 1.00 25.00 O ATOM 1543 CB GLN A 98 7.370 44.823 -5.815 1.00 25.00 C ATOM 1544 CG GLN A 98 6.555 45.018 -7.107 1.00 25.00 C ATOM 1545 CD GLN A 98 6.667 46.433 -7.610 1.00 25.00 C ATOM 1546 OE1 GLN A 98 7.527 47.212 -7.276 1.00 25.00 O ATOM 1547 NE2 GLN A 98 5.728 46.820 -8.460 1.00 25.00 N ATOM 1548 OXT GLN A 98 7.313 41.098 -5.478 1.00 25.00 O ATOM 0 H GLN A 98 6.766 43.926 -3.163 1.00 25.00 H new ATOM 0 HA GLN A 98 6.022 43.246 -5.217 1.00 25.00 H new ATOM 0 HB2 GLN A 98 7.123 45.613 -5.106 1.00 25.00 H new ATOM 0 HB3 GLN A 98 8.433 44.915 -6.037 1.00 25.00 H new ATOM 0 HG2 GLN A 98 6.910 44.328 -7.872 1.00 25.00 H new ATOM 0 HG3 GLN A 98 5.509 44.777 -6.920 1.00 25.00 H new ATOM 0 HE21 GLN A 98 4.999 46.167 -8.746 1.00 25.00 H new ATOM 0 HE22 GLN A 98 5.734 47.771 -8.828 1.00 25.00 H new TER 1558 GLN A 98