USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot -8:sc= 0.229 USER MOD Set 1.2: A 104 THR OG1 : rot 167:sc= 1.02 USER MOD Set 2.1: A 58 ASN : amide:sc= 0 K(o=0.92,f=-0.098) USER MOD Set 2.2: A 61 THR OG1 : rot 6:sc= 0.92 USER MOD Single : A 28 GLN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 31 SER OG : rot -88:sc= 1.15 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 39 SER OG : rot 104:sc= 0.112 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.179 USER MOD Single : A 52 ASN : amide:sc= 0.884 K(o=0.88,f=-6!) USER MOD Single : A 54 MET CE :methyl -154:sc= -0.336 (180deg=-1.2) USER MOD Single : A 56 THR OG1 : rot 79:sc= -0.706 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 63 SER OG : rot 78:sc= 0.463 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -11:sc= 1.06 USER MOD Single : A 70 SER OG : rot 88:sc= 1.3 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -6:sc= 1.2 USER MOD Single : A 81 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.37) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc=-0.00618 X(o=-0.0062,f=-0.027) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 159:sc= 1.65 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -156:sc= -0.17 (180deg=-0.852) USER MOD Single : A 105 SER OG : rot -2:sc= 0.344 USER MOD Single : A 106 ASN : amide:sc= -1.95 K(o=-1.9,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.276 -7.305 1.734 1.00 0.00 N ATOM 33 CA ASP A 25 1.672 -7.047 2.087 1.00 0.00 C ATOM 34 C ASP A 25 1.891 -5.592 2.472 1.00 0.00 C ATOM 35 O ASP A 25 2.601 -5.290 3.432 1.00 0.00 O ATOM 36 CB ASP A 25 2.591 -7.419 0.918 1.00 0.00 C ATOM 37 CG ASP A 25 4.058 -7.240 1.245 1.00 0.00 C ATOM 38 OD1 ASP A 25 4.552 -7.913 2.176 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.734 -6.444 0.559 1.00 0.00 O ATOM 0 HA ASP A 25 1.915 -7.666 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.410 -8.456 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.339 -6.805 0.054 1.00 0.00 H new ATOM 44 N GLY A 26 1.266 -4.701 1.727 1.00 0.00 N ATOM 45 CA GLY A 26 1.430 -3.283 1.956 1.00 0.00 C ATOM 46 C GLY A 26 0.872 -2.476 0.810 1.00 0.00 C ATOM 47 O GLY A 26 0.839 -2.952 -0.324 1.00 0.00 O ATOM 0 H GLY A 26 0.640 -4.937 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.927 -3.001 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.488 -3.053 2.085 1.00 0.00 H new ATOM 51 N VAL A 27 0.422 -1.267 1.096 1.00 0.00 N ATOM 52 CA VAL A 27 -0.154 -0.417 0.069 1.00 0.00 C ATOM 53 C VAL A 27 0.836 0.655 -0.364 1.00 0.00 C ATOM 54 O VAL A 27 1.622 1.154 0.440 1.00 0.00 O ATOM 55 CB VAL A 27 -1.471 0.243 0.535 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.518 -0.813 0.809 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.251 1.099 1.769 1.00 0.00 C ATOM 0 H VAL A 27 0.444 -0.853 2.028 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.383 -1.059 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.824 0.893 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.441 -0.334 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.708 -1.382 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.161 -1.485 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.196 1.550 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.869 0.478 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.530 1.885 1.543 1.00 0.00 H new ATOM 67 N GLN A 28 0.798 0.998 -1.637 1.00 0.00 N ATOM 68 CA GLN A 28 1.707 1.985 -2.190 1.00 0.00 C ATOM 69 C GLN A 28 0.940 3.211 -2.679 1.00 0.00 C ATOM 70 O GLN A 28 -0.223 3.113 -3.085 1.00 0.00 O ATOM 71 CB GLN A 28 2.527 1.371 -3.331 1.00 0.00 C ATOM 72 CG GLN A 28 3.416 2.371 -4.050 1.00 0.00 C ATOM 73 CD GLN A 28 4.459 1.710 -4.928 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.221 1.449 -6.104 1.00 0.00 O ATOM 75 NE2 GLN A 28 5.624 1.445 -4.363 1.00 0.00 N ATOM 0 H GLN A 28 0.143 0.605 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 28 2.391 2.304 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.147 0.569 -2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.847 0.918 -4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.796 3.026 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.915 3.001 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.780 1.678 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.367 1.007 -4.908 1.00 0.00 H new ATOM 84 N ILE A 29 1.597 4.362 -2.624 1.00 0.00 N ATOM 85 CA ILE A 29 1.011 5.607 -3.095 1.00 0.00 C ATOM 86 C ILE A 29 1.049 5.658 -4.615 1.00 0.00 C ATOM 87 O ILE A 29 2.115 5.815 -5.210 1.00 0.00 O ATOM 88 CB ILE A 29 1.769 6.835 -2.546 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.909 6.747 -1.022 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.054 8.118 -2.948 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.711 7.879 -0.416 1.00 0.00 C ATOM 0 H ILE A 29 2.543 4.458 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.018 5.637 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 29 2.770 6.847 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.915 6.738 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.383 5.800 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.598 8.976 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.009 8.184 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.042 8.113 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.766 7.748 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.718 7.876 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.227 8.829 -0.642 1.00 0.00 H new ATOM 103 N ASP A 30 -0.114 5.512 -5.225 1.00 0.00 N ATOM 104 CA ASP A 30 -0.255 5.596 -6.674 1.00 0.00 C ATOM 105 C ASP A 30 0.142 6.979 -7.151 1.00 0.00 C ATOM 106 O ASP A 30 1.100 7.150 -7.908 1.00 0.00 O ATOM 107 CB ASP A 30 -1.705 5.318 -7.076 1.00 0.00 C ATOM 108 CG ASP A 30 -1.959 5.502 -8.562 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.626 4.589 -9.344 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.504 6.561 -8.945 1.00 0.00 O ATOM 0 H ASP A 30 -0.989 5.332 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 30 0.396 4.852 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.965 4.298 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.364 5.982 -6.516 1.00 0.00 H new ATOM 115 N SER A 31 -0.598 7.967 -6.687 1.00 0.00 N ATOM 116 CA SER A 31 -0.332 9.346 -7.040 1.00 0.00 C ATOM 117 C SER A 31 -0.930 10.287 -6.009 1.00 0.00 C ATOM 118 O SER A 31 -1.938 9.972 -5.379 1.00 0.00 O ATOM 119 CB SER A 31 -0.893 9.648 -8.429 1.00 0.00 C ATOM 120 OG SER A 31 -2.227 9.189 -8.548 1.00 0.00 O ATOM 0 H SER A 31 -1.393 7.838 -6.061 1.00 0.00 H new ATOM 0 HA SER A 31 0.747 9.500 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.856 10.721 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.272 9.172 -9.188 1.00 0.00 H new ATOM 0 HG SER A 31 -2.226 8.256 -8.849 1.00 0.00 H new ATOM 126 N VAL A 32 -0.291 11.425 -5.824 1.00 0.00 N ATOM 127 CA VAL A 32 -0.788 12.438 -4.911 1.00 0.00 C ATOM 128 C VAL A 32 -1.525 13.512 -5.696 1.00 0.00 C ATOM 129 O VAL A 32 -0.936 14.171 -6.553 1.00 0.00 O ATOM 130 CB VAL A 32 0.358 13.091 -4.105 1.00 0.00 C ATOM 131 CG1 VAL A 32 -0.186 14.082 -3.089 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.205 12.033 -3.421 1.00 0.00 C ATOM 0 H VAL A 32 0.578 11.673 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.464 11.952 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 32 0.991 13.638 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.641 14.527 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.740 14.866 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.850 13.565 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.005 12.515 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.582 11.453 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.636 11.371 -4.172 1.00 0.00 H new ATOM 142 N VAL A 33 -2.811 13.672 -5.427 1.00 0.00 N ATOM 143 CA VAL A 33 -3.603 14.666 -6.119 1.00 0.00 C ATOM 144 C VAL A 33 -3.389 16.048 -5.502 1.00 0.00 C ATOM 145 O VAL A 33 -3.703 16.276 -4.333 1.00 0.00 O ATOM 146 CB VAL A 33 -5.105 14.296 -6.130 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.359 13.127 -7.070 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.607 13.958 -4.734 1.00 0.00 C ATOM 0 H VAL A 33 -3.324 13.126 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.267 14.692 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.655 15.167 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.421 12.880 -7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.054 13.400 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.784 12.262 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.666 13.703 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.046 13.110 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.469 14.819 -4.079 1.00 0.00 H new ATOM 158 N PRO A 34 -2.848 16.986 -6.298 1.00 0.00 N ATOM 159 CA PRO A 34 -2.458 18.335 -5.836 1.00 0.00 C ATOM 160 C PRO A 34 -3.646 19.237 -5.484 1.00 0.00 C ATOM 161 O PRO A 34 -3.549 20.465 -5.540 1.00 0.00 O ATOM 162 CB PRO A 34 -1.689 18.917 -7.032 1.00 0.00 C ATOM 163 CG PRO A 34 -1.409 17.756 -7.926 1.00 0.00 C ATOM 164 CD PRO A 34 -2.545 16.803 -7.719 1.00 0.00 C ATOM 0 HA PRO A 34 -1.881 18.276 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.279 19.676 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.765 19.396 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.346 18.070 -8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.456 17.290 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.399 17.044 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.261 15.775 -7.946 1.00 0.00 H new ATOM 172 N GLY A 35 -4.755 18.623 -5.120 1.00 0.00 N ATOM 173 CA GLY A 35 -5.906 19.361 -4.648 1.00 0.00 C ATOM 174 C GLY A 35 -6.271 18.938 -3.244 1.00 0.00 C ATOM 175 O GLY A 35 -7.366 19.218 -2.759 1.00 0.00 O ATOM 0 H GLY A 35 -4.882 17.611 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.692 20.430 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.751 19.193 -5.315 1.00 0.00 H new ATOM 179 N SER A 36 -5.339 18.247 -2.604 1.00 0.00 N ATOM 180 CA SER A 36 -5.537 17.711 -1.269 1.00 0.00 C ATOM 181 C SER A 36 -4.256 17.907 -0.446 1.00 0.00 C ATOM 182 O SER A 36 -3.270 18.433 -0.969 1.00 0.00 O ATOM 183 CB SER A 36 -5.884 16.228 -1.376 1.00 0.00 C ATOM 184 OG SER A 36 -6.890 16.003 -2.353 1.00 0.00 O ATOM 0 H SER A 36 -4.421 18.043 -2.999 1.00 0.00 H new ATOM 0 HA SER A 36 -6.354 18.233 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.990 15.661 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.226 15.861 -0.408 1.00 0.00 H new ATOM 0 HG SER A 36 -7.091 15.045 -2.401 1.00 0.00 H new ATOM 190 N PRO A 37 -4.248 17.524 0.849 1.00 0.00 N ATOM 191 CA PRO A 37 -3.029 17.559 1.670 1.00 0.00 C ATOM 192 C PRO A 37 -1.963 16.581 1.166 1.00 0.00 C ATOM 193 O PRO A 37 -2.105 15.996 0.089 1.00 0.00 O ATOM 194 CB PRO A 37 -3.514 17.141 3.067 1.00 0.00 C ATOM 195 CG PRO A 37 -4.993 17.323 3.042 1.00 0.00 C ATOM 196 CD PRO A 37 -5.410 17.062 1.626 1.00 0.00 C ATOM 0 HA PRO A 37 -2.557 18.541 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.249 16.106 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.055 17.755 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.484 16.633 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.269 18.331 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.616 16.006 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.315 17.610 1.364 1.00 0.00 H new ATOM 204 N ALA A 38 -0.880 16.439 1.939 1.00 0.00 N ATOM 205 CA ALA A 38 0.211 15.500 1.642 1.00 0.00 C ATOM 206 C ALA A 38 1.080 15.950 0.459 1.00 0.00 C ATOM 207 O ALA A 38 2.245 15.558 0.363 1.00 0.00 O ATOM 208 CB ALA A 38 -0.325 14.095 1.397 1.00 0.00 C ATOM 0 H ALA A 38 -0.734 16.975 2.794 1.00 0.00 H new ATOM 0 HA ALA A 38 0.850 15.488 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.504 13.422 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.852 13.747 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.011 14.110 0.550 1.00 0.00 H new ATOM 214 N SER A 39 0.524 16.785 -0.416 1.00 0.00 N ATOM 215 CA SER A 39 1.218 17.227 -1.624 1.00 0.00 C ATOM 216 C SER A 39 2.498 18.000 -1.295 1.00 0.00 C ATOM 217 O SER A 39 3.466 17.979 -2.057 1.00 0.00 O ATOM 218 CB SER A 39 0.284 18.103 -2.468 1.00 0.00 C ATOM 219 OG SER A 39 -0.918 17.420 -2.792 1.00 0.00 O ATOM 0 H SER A 39 -0.414 17.172 -0.309 1.00 0.00 H new ATOM 0 HA SER A 39 1.503 16.339 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.049 19.017 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.793 18.401 -3.385 1.00 0.00 H new ATOM 0 HG SER A 39 -1.646 17.754 -2.228 1.00 0.00 H new ATOM 225 N LYS A 40 2.503 18.671 -0.152 1.00 0.00 N ATOM 226 CA LYS A 40 3.651 19.465 0.262 1.00 0.00 C ATOM 227 C LYS A 40 4.533 18.670 1.224 1.00 0.00 C ATOM 228 O LYS A 40 5.621 19.108 1.595 1.00 0.00 O ATOM 229 CB LYS A 40 3.164 20.761 0.926 1.00 0.00 C ATOM 230 CG LYS A 40 4.268 21.754 1.270 1.00 0.00 C ATOM 231 CD LYS A 40 4.926 22.324 0.024 1.00 0.00 C ATOM 232 CE LYS A 40 3.940 23.128 -0.812 1.00 0.00 C ATOM 233 NZ LYS A 40 4.602 23.794 -1.962 1.00 0.00 N ATOM 0 H LYS A 40 1.724 18.681 0.506 1.00 0.00 H new ATOM 0 HA LYS A 40 4.247 19.715 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.450 21.248 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.626 20.506 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.852 22.567 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.021 21.261 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.763 22.960 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.335 21.511 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.153 22.469 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.460 23.879 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.896 24.331 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.336 24.442 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.038 23.076 -2.575 1.00 0.00 H new ATOM 247 N VAL A 41 4.068 17.489 1.611 1.00 0.00 N ATOM 248 CA VAL A 41 4.758 16.697 2.623 1.00 0.00 C ATOM 249 C VAL A 41 5.563 15.562 1.999 1.00 0.00 C ATOM 250 O VAL A 41 6.759 15.418 2.263 1.00 0.00 O ATOM 251 CB VAL A 41 3.764 16.109 3.647 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.497 15.351 4.744 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.900 17.206 4.245 1.00 0.00 C ATOM 0 H VAL A 41 3.220 17.059 1.242 1.00 0.00 H new ATOM 0 HA VAL A 41 5.443 17.374 3.134 1.00 0.00 H new ATOM 0 HB VAL A 41 3.117 15.406 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.774 14.947 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.068 14.534 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.175 16.028 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.206 16.771 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.535 17.935 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.338 17.700 3.452 1.00 0.00 H new ATOM 263 N LEU A 42 4.912 14.758 1.168 1.00 0.00 N ATOM 264 CA LEU A 42 5.547 13.587 0.593 1.00 0.00 C ATOM 265 C LEU A 42 5.421 13.556 -0.920 1.00 0.00 C ATOM 266 O LEU A 42 4.880 14.474 -1.537 1.00 0.00 O ATOM 267 CB LEU A 42 4.958 12.314 1.199 1.00 0.00 C ATOM 268 CG LEU A 42 3.448 12.322 1.452 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.674 12.135 0.157 1.00 0.00 C ATOM 270 CD2 LEU A 42 3.087 11.243 2.455 1.00 0.00 C ATOM 0 H LEU A 42 3.944 14.899 0.879 1.00 0.00 H new ATOM 0 HA LEU A 42 6.609 13.641 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.190 11.480 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.463 12.120 2.145 1.00 0.00 H new ATOM 0 HG LEU A 42 3.172 13.293 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.605 12.145 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.916 12.945 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.946 11.181 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.011 11.254 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.381 10.269 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.609 11.429 3.393 1.00 0.00 H new ATOM 282 N THR A 43 5.935 12.488 -1.501 1.00 0.00 N ATOM 283 CA THR A 43 5.906 12.290 -2.940 1.00 0.00 C ATOM 284 C THR A 43 5.256 10.951 -3.286 1.00 0.00 C ATOM 285 O THR A 43 5.282 10.017 -2.483 1.00 0.00 O ATOM 286 CB THR A 43 7.331 12.347 -3.525 1.00 0.00 C ATOM 287 OG1 THR A 43 8.247 11.682 -2.642 1.00 0.00 O ATOM 288 CG2 THR A 43 7.775 13.786 -3.737 1.00 0.00 C ATOM 0 H THR A 43 6.386 11.731 -0.988 1.00 0.00 H new ATOM 0 HA THR A 43 5.313 13.093 -3.379 1.00 0.00 H new ATOM 0 HB THR A 43 7.325 11.843 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.151 11.720 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.783 13.798 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.093 14.279 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.767 14.313 -2.783 1.00 0.00 H new ATOM 296 N PRO A 44 4.636 10.846 -4.473 1.00 0.00 N ATOM 297 CA PRO A 44 4.008 9.602 -4.923 1.00 0.00 C ATOM 298 C PRO A 44 5.038 8.526 -5.264 1.00 0.00 C ATOM 299 O PRO A 44 6.191 8.833 -5.576 1.00 0.00 O ATOM 300 CB PRO A 44 3.229 10.029 -6.170 1.00 0.00 C ATOM 301 CG PRO A 44 3.960 11.221 -6.681 1.00 0.00 C ATOM 302 CD PRO A 44 4.497 11.929 -5.467 1.00 0.00 C ATOM 0 HA PRO A 44 3.381 9.154 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.203 9.232 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.195 10.273 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.768 10.926 -7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.296 11.871 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.453 12.411 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.816 12.707 -5.121 1.00 0.00 H new ATOM 310 N GLY A 45 4.621 7.269 -5.201 1.00 0.00 N ATOM 311 CA GLY A 45 5.531 6.175 -5.476 1.00 0.00 C ATOM 312 C GLY A 45 6.060 5.528 -4.210 1.00 0.00 C ATOM 313 O GLY A 45 6.643 4.444 -4.256 1.00 0.00 O ATOM 0 H GLY A 45 3.670 6.987 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.020 5.424 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.368 6.543 -6.069 1.00 0.00 H new ATOM 317 N LEU A 46 5.858 6.193 -3.078 1.00 0.00 N ATOM 318 CA LEU A 46 6.313 5.669 -1.792 1.00 0.00 C ATOM 319 C LEU A 46 5.353 4.608 -1.270 1.00 0.00 C ATOM 320 O LEU A 46 4.226 4.490 -1.745 1.00 0.00 O ATOM 321 CB LEU A 46 6.455 6.801 -0.768 1.00 0.00 C ATOM 322 CG LEU A 46 7.558 7.819 -1.072 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.568 8.923 -0.027 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.915 7.130 -1.134 1.00 0.00 C ATOM 0 H LEU A 46 5.383 7.094 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 46 7.289 5.209 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.504 7.329 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.647 6.362 0.211 1.00 0.00 H new ATOM 0 HG LEU A 46 7.354 8.268 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.358 9.637 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.605 9.434 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.748 8.491 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.688 7.867 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.126 6.654 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.904 6.374 -1.919 1.00 0.00 H new ATOM 336 N VAL A 47 5.802 3.839 -0.289 1.00 0.00 N ATOM 337 CA VAL A 47 4.992 2.766 0.271 1.00 0.00 C ATOM 338 C VAL A 47 4.466 3.156 1.648 1.00 0.00 C ATOM 339 O VAL A 47 5.207 3.693 2.473 1.00 0.00 O ATOM 340 CB VAL A 47 5.802 1.453 0.389 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.934 0.315 0.912 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.421 1.082 -0.950 1.00 0.00 C ATOM 0 H VAL A 47 6.724 3.938 0.136 1.00 0.00 H new ATOM 0 HA VAL A 47 4.154 2.602 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 47 6.605 1.619 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.531 -0.594 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.548 0.575 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.101 0.149 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.986 0.156 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.632 0.944 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.089 1.880 -1.276 1.00 0.00 H new ATOM 352 N ILE A 48 3.188 2.893 1.882 1.00 0.00 N ATOM 353 CA ILE A 48 2.578 3.128 3.180 1.00 0.00 C ATOM 354 C ILE A 48 2.763 1.887 4.039 1.00 0.00 C ATOM 355 O ILE A 48 2.052 0.896 3.875 1.00 0.00 O ATOM 356 CB ILE A 48 1.065 3.425 3.061 1.00 0.00 C ATOM 357 CG1 ILE A 48 0.798 4.558 2.063 1.00 0.00 C ATOM 358 CG2 ILE A 48 0.481 3.774 4.426 1.00 0.00 C ATOM 359 CD1 ILE A 48 1.080 5.939 2.613 1.00 0.00 C ATOM 0 H ILE A 48 2.550 2.514 1.182 1.00 0.00 H new ATOM 0 HA ILE A 48 3.061 3.997 3.628 1.00 0.00 H new ATOM 0 HB ILE A 48 0.576 2.525 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.411 4.399 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.243 4.510 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.584 3.980 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.625 2.936 5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.985 4.655 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.867 6.686 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.448 6.120 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.128 6.007 2.905 1.00 0.00 H new ATOM 371 N GLU A 49 3.740 1.929 4.928 1.00 0.00 N ATOM 372 CA GLU A 49 4.037 0.781 5.764 1.00 0.00 C ATOM 373 C GLU A 49 3.045 0.669 6.910 1.00 0.00 C ATOM 374 O GLU A 49 2.491 -0.403 7.163 1.00 0.00 O ATOM 375 CB GLU A 49 5.457 0.858 6.313 1.00 0.00 C ATOM 376 CG GLU A 49 6.534 0.721 5.255 1.00 0.00 C ATOM 377 CD GLU A 49 7.915 0.600 5.862 1.00 0.00 C ATOM 378 OE1 GLU A 49 8.030 0.035 6.972 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.893 1.063 5.238 1.00 0.00 O ATOM 0 H GLU A 49 4.337 2.740 5.088 1.00 0.00 H new ATOM 0 HA GLU A 49 3.951 -0.109 5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.586 1.810 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.591 0.073 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.330 -0.157 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.504 1.586 4.593 1.00 0.00 H new ATOM 386 N SER A 50 2.811 1.773 7.602 1.00 0.00 N ATOM 387 CA SER A 50 1.934 1.754 8.753 1.00 0.00 C ATOM 388 C SER A 50 1.421 3.140 9.093 1.00 0.00 C ATOM 389 O SER A 50 2.120 4.140 8.919 1.00 0.00 O ATOM 390 CB SER A 50 2.662 1.147 9.956 1.00 0.00 C ATOM 391 OG SER A 50 3.989 1.644 10.060 1.00 0.00 O ATOM 0 H SER A 50 3.214 2.685 7.386 1.00 0.00 H new ATOM 0 HA SER A 50 1.070 1.137 8.504 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.113 1.376 10.869 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.684 0.061 9.861 1.00 0.00 H new ATOM 0 HG SER A 50 4.429 1.241 10.837 1.00 0.00 H new ATOM 397 N ILE A 51 0.192 3.180 9.573 1.00 0.00 N ATOM 398 CA ILE A 51 -0.418 4.413 10.032 1.00 0.00 C ATOM 399 C ILE A 51 -0.677 4.299 11.525 1.00 0.00 C ATOM 400 O ILE A 51 -1.580 3.575 11.949 1.00 0.00 O ATOM 401 CB ILE A 51 -1.741 4.712 9.296 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.507 4.788 7.783 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.350 6.013 9.808 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.772 5.004 6.978 1.00 0.00 C ATOM 0 H ILE A 51 -0.410 2.361 9.655 1.00 0.00 H new ATOM 0 HA ILE A 51 0.265 5.236 9.819 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.440 3.900 9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.811 5.600 7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.030 3.866 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.283 6.211 9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.549 5.926 10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.654 6.834 9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.525 5.047 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.462 4.180 7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.240 5.941 7.280 1.00 0.00 H new ATOM 416 N ASN A 52 0.132 4.997 12.316 1.00 0.00 N ATOM 417 CA ASN A 52 0.108 4.841 13.765 1.00 0.00 C ATOM 418 C ASN A 52 0.436 3.390 14.113 1.00 0.00 C ATOM 419 O ASN A 52 1.162 2.725 13.365 1.00 0.00 O ATOM 420 CB ASN A 52 -1.249 5.258 14.349 1.00 0.00 C ATOM 421 CG ASN A 52 -1.512 6.751 14.234 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.091 7.406 13.280 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.189 7.302 15.225 1.00 0.00 N ATOM 0 H ASN A 52 0.813 5.677 11.977 1.00 0.00 H new ATOM 0 HA ASN A 52 0.858 5.497 14.208 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.042 4.714 13.835 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.291 4.967 15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.380 8.304 15.217 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.521 6.726 15.998 1.00 0.00 H new ATOM 430 N GLY A 53 -0.061 2.899 15.243 1.00 0.00 N ATOM 431 CA GLY A 53 0.154 1.508 15.605 1.00 0.00 C ATOM 432 C GLY A 53 -0.729 0.551 14.813 1.00 0.00 C ATOM 433 O GLY A 53 -1.088 -0.521 15.303 1.00 0.00 O ATOM 0 H GLY A 53 -0.608 3.437 15.915 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.200 1.251 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.041 1.379 16.670 1.00 0.00 H new ATOM 437 N MET A 54 -1.087 0.948 13.599 1.00 0.00 N ATOM 438 CA MET A 54 -1.874 0.114 12.700 1.00 0.00 C ATOM 439 C MET A 54 -1.209 0.067 11.330 1.00 0.00 C ATOM 440 O MET A 54 -1.305 1.017 10.554 1.00 0.00 O ATOM 441 CB MET A 54 -3.299 0.658 12.551 1.00 0.00 C ATOM 442 CG MET A 54 -4.128 0.618 13.825 1.00 0.00 C ATOM 443 SD MET A 54 -5.742 1.402 13.626 1.00 0.00 S ATOM 444 CE MET A 54 -5.244 3.059 13.155 1.00 0.00 C ATOM 0 H MET A 54 -0.840 1.858 13.210 1.00 0.00 H new ATOM 0 HA MET A 54 -1.926 -0.889 13.124 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.246 1.689 12.200 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.814 0.085 11.780 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.267 -0.419 14.132 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.582 1.117 14.626 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.024 3.767 13.435 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.317 3.320 13.667 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.087 3.099 12.077 1.00 0.00 H new ATOM 454 N PRO A 55 -0.505 -1.026 11.018 1.00 0.00 N ATOM 455 CA PRO A 55 0.170 -1.171 9.732 1.00 0.00 C ATOM 456 C PRO A 55 -0.809 -1.403 8.588 1.00 0.00 C ATOM 457 O PRO A 55 -1.891 -1.961 8.783 1.00 0.00 O ATOM 458 CB PRO A 55 1.060 -2.391 9.934 1.00 0.00 C ATOM 459 CG PRO A 55 0.365 -3.196 10.977 1.00 0.00 C ATOM 460 CD PRO A 55 -0.313 -2.203 11.884 1.00 0.00 C ATOM 0 HA PRO A 55 0.719 -0.271 9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.174 -2.956 9.009 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.060 -2.103 10.257 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.361 -3.873 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.074 -3.811 11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.262 -2.585 12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.302 -1.967 12.753 1.00 0.00 H new ATOM 468 N THR A 56 -0.434 -0.973 7.398 1.00 0.00 N ATOM 469 CA THR A 56 -1.306 -1.087 6.248 1.00 0.00 C ATOM 470 C THR A 56 -0.780 -2.096 5.235 1.00 0.00 C ATOM 471 O THR A 56 -0.102 -1.740 4.274 1.00 0.00 O ATOM 472 CB THR A 56 -1.502 0.275 5.566 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.249 0.966 5.501 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.515 1.120 6.323 1.00 0.00 C ATOM 0 H THR A 56 0.470 -0.541 7.204 1.00 0.00 H new ATOM 0 HA THR A 56 -2.268 -1.443 6.617 1.00 0.00 H new ATOM 0 HB THR A 56 -1.880 0.105 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.286 0.604 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.636 2.080 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.473 0.601 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.162 1.286 7.341 1.00 0.00 H new ATOM 482 N SER A 57 -1.084 -3.358 5.477 1.00 0.00 N ATOM 483 CA SER A 57 -0.718 -4.429 4.563 1.00 0.00 C ATOM 484 C SER A 57 -1.844 -4.662 3.561 1.00 0.00 C ATOM 485 O SER A 57 -1.665 -5.343 2.548 1.00 0.00 O ATOM 486 CB SER A 57 -0.426 -5.707 5.351 1.00 0.00 C ATOM 487 OG SER A 57 0.559 -5.472 6.349 1.00 0.00 O ATOM 0 H SER A 57 -1.588 -3.670 6.307 1.00 0.00 H new ATOM 0 HA SER A 57 0.181 -4.145 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.342 -6.070 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.083 -6.488 4.672 1.00 0.00 H new ATOM 0 HG SER A 57 0.729 -6.302 6.842 1.00 0.00 H new ATOM 493 N ASN A 58 -3.007 -4.092 3.859 1.00 0.00 N ATOM 494 CA ASN A 58 -4.187 -4.261 3.024 1.00 0.00 C ATOM 495 C ASN A 58 -4.743 -2.896 2.626 1.00 0.00 C ATOM 496 O ASN A 58 -4.405 -1.879 3.233 1.00 0.00 O ATOM 497 CB ASN A 58 -5.281 -5.018 3.792 1.00 0.00 C ATOM 498 CG ASN A 58 -4.770 -6.230 4.547 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.340 -6.122 5.694 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.830 -7.391 3.923 1.00 0.00 N ATOM 0 H ASN A 58 -3.156 -3.505 4.680 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.897 -4.825 2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.756 -4.336 4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.051 -5.337 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.513 -8.239 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.193 -7.440 2.971 1.00 0.00 H new ATOM 507 N LEU A 59 -5.613 -2.872 1.626 1.00 0.00 N ATOM 508 CA LEU A 59 -6.331 -1.667 1.276 1.00 0.00 C ATOM 509 C LEU A 59 -7.413 -1.389 2.318 1.00 0.00 C ATOM 510 O LEU A 59 -7.737 -0.239 2.619 1.00 0.00 O ATOM 511 CB LEU A 59 -6.950 -1.830 -0.110 1.00 0.00 C ATOM 512 CG LEU A 59 -5.984 -1.678 -1.285 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.683 -2.006 -2.595 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.420 -0.268 -1.327 1.00 0.00 C ATOM 0 H LEU A 59 -5.835 -3.680 1.044 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.643 -0.822 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.413 -2.815 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.748 -1.096 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.161 -2.379 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.980 -1.893 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.046 -3.033 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.524 -1.328 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.734 -0.175 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.235 0.447 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.886 -0.062 -0.399 1.00 0.00 H new ATOM 526 N THR A 60 -7.944 -2.464 2.879 1.00 0.00 N ATOM 527 CA THR A 60 -8.968 -2.394 3.906 1.00 0.00 C ATOM 528 C THR A 60 -8.423 -1.820 5.208 1.00 0.00 C ATOM 529 O THR A 60 -9.097 -1.042 5.868 1.00 0.00 O ATOM 530 CB THR A 60 -9.534 -3.792 4.168 1.00 0.00 C ATOM 531 OG1 THR A 60 -8.524 -4.769 3.873 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.774 -4.049 3.326 1.00 0.00 C ATOM 0 H THR A 60 -7.674 -3.416 2.632 1.00 0.00 H new ATOM 0 HA THR A 60 -9.754 -1.731 3.545 1.00 0.00 H new ATOM 0 HB THR A 60 -9.824 -3.864 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.879 -5.667 4.040 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.154 -5.049 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.539 -3.312 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.519 -3.970 2.269 1.00 0.00 H new ATOM 540 N THR A 61 -7.209 -2.214 5.578 1.00 0.00 N ATOM 541 CA THR A 61 -6.559 -1.655 6.762 1.00 0.00 C ATOM 542 C THR A 61 -6.365 -0.147 6.618 1.00 0.00 C ATOM 543 O THR A 61 -6.560 0.606 7.572 1.00 0.00 O ATOM 544 CB THR A 61 -5.199 -2.327 7.047 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.439 -2.449 5.838 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.390 -3.699 7.670 1.00 0.00 C ATOM 0 H THR A 61 -6.657 -2.913 5.081 1.00 0.00 H new ATOM 0 HA THR A 61 -7.220 -1.854 7.606 1.00 0.00 H new ATOM 0 HB THR A 61 -4.656 -1.697 7.751 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.906 -1.988 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.417 -4.151 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.934 -3.600 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.957 -4.333 6.988 1.00 0.00 H new ATOM 554 N TYR A 62 -6.002 0.282 5.410 1.00 0.00 N ATOM 555 CA TYR A 62 -5.863 1.702 5.096 1.00 0.00 C ATOM 556 C TYR A 62 -7.210 2.400 5.265 1.00 0.00 C ATOM 557 O TYR A 62 -7.306 3.480 5.850 1.00 0.00 O ATOM 558 CB TYR A 62 -5.351 1.855 3.657 1.00 0.00 C ATOM 559 CG TYR A 62 -5.250 3.282 3.162 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.154 4.074 3.478 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.247 3.831 2.365 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.053 5.373 3.015 1.00 0.00 C ATOM 563 CE2 TYR A 62 -6.156 5.128 1.898 1.00 0.00 C ATOM 564 CZ TYR A 62 -5.059 5.897 2.227 1.00 0.00 C ATOM 565 OH TYR A 62 -4.962 7.190 1.758 1.00 0.00 O ATOM 0 H TYR A 62 -5.798 -0.340 4.628 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.147 2.163 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.367 1.391 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.013 1.301 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.367 3.668 4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.108 3.233 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.192 5.974 3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.940 5.538 1.278 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.194 7.633 2.176 1.00 0.00 H new ATOM 575 N SER A 63 -8.248 1.744 4.770 1.00 0.00 N ATOM 576 CA SER A 63 -9.603 2.243 4.851 1.00 0.00 C ATOM 577 C SER A 63 -10.093 2.320 6.297 1.00 0.00 C ATOM 578 O SER A 63 -10.607 3.349 6.735 1.00 0.00 O ATOM 579 CB SER A 63 -10.495 1.316 4.039 1.00 0.00 C ATOM 580 OG SER A 63 -10.217 1.405 2.648 1.00 0.00 O ATOM 0 H SER A 63 -8.168 0.843 4.298 1.00 0.00 H new ATOM 0 HA SER A 63 -9.637 3.257 4.452 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.353 0.288 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.540 1.568 4.218 1.00 0.00 H new ATOM 0 HG SER A 63 -9.400 0.904 2.445 1.00 0.00 H new ATOM 586 N ALA A 64 -9.901 1.235 7.030 1.00 0.00 N ATOM 587 CA ALA A 64 -10.379 1.130 8.403 1.00 0.00 C ATOM 588 C ALA A 64 -9.697 2.153 9.296 1.00 0.00 C ATOM 589 O ALA A 64 -10.296 2.665 10.239 1.00 0.00 O ATOM 590 CB ALA A 64 -10.158 -0.278 8.938 1.00 0.00 C ATOM 0 H ALA A 64 -9.412 0.405 6.694 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.449 1.338 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.521 -0.338 9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.701 -0.992 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.094 -0.513 8.915 1.00 0.00 H new ATOM 596 N ALA A 65 -8.447 2.460 8.979 1.00 0.00 N ATOM 597 CA ALA A 65 -7.701 3.446 9.738 1.00 0.00 C ATOM 598 C ALA A 65 -8.258 4.834 9.472 1.00 0.00 C ATOM 599 O ALA A 65 -8.562 5.583 10.399 1.00 0.00 O ATOM 600 CB ALA A 65 -6.222 3.388 9.387 1.00 0.00 C ATOM 0 H ALA A 65 -7.932 2.041 8.204 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.805 3.222 10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.681 4.135 9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.832 2.397 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.092 3.590 8.324 1.00 0.00 H new ATOM 606 N LEU A 66 -8.440 5.140 8.194 1.00 0.00 N ATOM 607 CA LEU A 66 -8.892 6.448 7.763 1.00 0.00 C ATOM 608 C LEU A 66 -10.299 6.760 8.267 1.00 0.00 C ATOM 609 O LEU A 66 -10.601 7.903 8.607 1.00 0.00 O ATOM 610 CB LEU A 66 -8.843 6.515 6.236 1.00 0.00 C ATOM 611 CG LEU A 66 -7.713 7.376 5.658 1.00 0.00 C ATOM 612 CD1 LEU A 66 -7.840 7.479 4.148 1.00 0.00 C ATOM 613 CD2 LEU A 66 -7.711 8.762 6.291 1.00 0.00 C ATOM 0 H LEU A 66 -8.277 4.485 7.429 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.228 7.200 8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.742 5.502 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.795 6.902 5.874 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.764 6.894 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.030 8.094 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.785 6.483 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.797 7.935 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.901 9.355 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.663 9.254 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.567 8.670 7.368 1.00 0.00 H new ATOM 625 N LYS A 67 -11.155 5.745 8.339 1.00 0.00 N ATOM 626 CA LYS A 67 -12.532 5.947 8.774 1.00 0.00 C ATOM 627 C LYS A 67 -12.623 6.269 10.266 1.00 0.00 C ATOM 628 O LYS A 67 -13.604 6.857 10.716 1.00 0.00 O ATOM 629 CB LYS A 67 -13.388 4.724 8.446 1.00 0.00 C ATOM 630 CG LYS A 67 -13.598 4.522 6.954 1.00 0.00 C ATOM 631 CD LYS A 67 -14.476 3.316 6.660 1.00 0.00 C ATOM 632 CE LYS A 67 -15.888 3.494 7.205 1.00 0.00 C ATOM 633 NZ LYS A 67 -16.775 2.359 6.837 1.00 0.00 N ATOM 0 H LYS A 67 -10.921 4.781 8.103 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.916 6.808 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.915 3.835 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.358 4.827 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.055 5.415 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.632 4.394 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.520 3.153 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.027 2.425 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.849 3.586 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.310 4.423 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.725 2.520 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.834 2.286 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.387 1.475 7.225 1.00 0.00 H new ATOM 647 N THR A 68 -11.602 5.894 11.027 1.00 0.00 N ATOM 648 CA THR A 68 -11.600 6.150 12.465 1.00 0.00 C ATOM 649 C THR A 68 -10.960 7.499 12.791 1.00 0.00 C ATOM 650 O THR A 68 -11.081 8.003 13.911 1.00 0.00 O ATOM 651 CB THR A 68 -10.883 5.030 13.255 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.528 4.872 12.804 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.629 3.711 13.112 1.00 0.00 C ATOM 0 H THR A 68 -10.771 5.416 10.678 1.00 0.00 H new ATOM 0 HA THR A 68 -12.645 6.170 12.774 1.00 0.00 H new ATOM 0 HB THR A 68 -10.871 5.319 14.306 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.398 5.378 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.109 2.936 13.675 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.642 3.822 13.499 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.671 3.429 12.060 1.00 0.00 H new ATOM 661 N ILE A 69 -10.276 8.080 11.814 1.00 0.00 N ATOM 662 CA ILE A 69 -9.581 9.343 12.017 1.00 0.00 C ATOM 663 C ILE A 69 -10.558 10.512 11.938 1.00 0.00 C ATOM 664 O ILE A 69 -11.518 10.479 11.167 1.00 0.00 O ATOM 665 CB ILE A 69 -8.455 9.543 10.974 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.516 8.335 10.950 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.668 10.813 11.264 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.901 8.011 12.293 1.00 0.00 C ATOM 0 H ILE A 69 -10.188 7.696 10.873 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.133 9.311 13.010 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.921 9.640 9.993 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.068 7.465 10.595 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.718 8.522 10.231 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.882 10.932 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.337 11.672 11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.220 10.745 12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.249 7.143 12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.320 8.864 12.642 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.691 7.791 13.011 1.00 0.00 H new ATOM 680 N SER A 70 -10.329 11.526 12.759 1.00 0.00 N ATOM 681 CA SER A 70 -11.142 12.727 12.734 1.00 0.00 C ATOM 682 C SER A 70 -10.633 13.672 11.647 1.00 0.00 C ATOM 683 O SER A 70 -9.477 13.580 11.236 1.00 0.00 O ATOM 684 CB SER A 70 -11.083 13.415 14.097 1.00 0.00 C ATOM 685 OG SER A 70 -11.186 12.465 15.150 1.00 0.00 O ATOM 0 H SER A 70 -9.582 11.538 13.453 1.00 0.00 H new ATOM 0 HA SER A 70 -12.176 12.460 12.515 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.148 13.967 14.190 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.891 14.142 14.177 1.00 0.00 H new ATOM 0 HG SER A 70 -10.294 12.129 15.376 1.00 0.00 H new ATOM 691 N VAL A 71 -11.491 14.562 11.173 1.00 0.00 N ATOM 692 CA VAL A 71 -11.089 15.563 10.194 1.00 0.00 C ATOM 693 C VAL A 71 -10.252 16.639 10.874 1.00 0.00 C ATOM 694 O VAL A 71 -10.720 17.305 11.796 1.00 0.00 O ATOM 695 CB VAL A 71 -12.310 16.228 9.520 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.869 17.145 8.388 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.290 15.180 9.013 1.00 0.00 C ATOM 0 H VAL A 71 -12.471 14.612 11.450 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.506 15.056 9.425 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.820 16.833 10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.745 17.602 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.218 17.925 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.327 16.566 7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.140 15.674 8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.793 14.540 8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.639 14.574 9.849 1.00 0.00 H new ATOM 707 N GLY A 72 -9.017 16.801 10.429 1.00 0.00 N ATOM 708 CA GLY A 72 -8.128 17.761 11.050 1.00 0.00 C ATOM 709 C GLY A 72 -7.307 17.126 12.151 1.00 0.00 C ATOM 710 O GLY A 72 -6.798 17.812 13.039 1.00 0.00 O ATOM 0 H GLY A 72 -8.613 16.285 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.463 18.183 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.711 18.586 11.459 1.00 0.00 H new ATOM 714 N GLU A 73 -7.183 15.811 12.088 1.00 0.00 N ATOM 715 CA GLU A 73 -6.423 15.060 13.071 1.00 0.00 C ATOM 716 C GLU A 73 -5.043 14.761 12.513 1.00 0.00 C ATOM 717 O GLU A 73 -4.885 14.565 11.307 1.00 0.00 O ATOM 718 CB GLU A 73 -7.149 13.759 13.405 1.00 0.00 C ATOM 719 CG GLU A 73 -6.649 13.048 14.652 1.00 0.00 C ATOM 720 CD GLU A 73 -7.421 11.771 14.928 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.595 11.859 15.341 1.00 0.00 O ATOM 722 OE2 GLU A 73 -6.864 10.673 14.733 1.00 0.00 O ATOM 0 H GLU A 73 -7.604 15.237 11.358 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.324 15.648 13.984 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.211 13.974 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.057 13.081 12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.591 12.814 14.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.735 13.716 15.509 1.00 0.00 H new ATOM 729 N VAL A 74 -4.051 14.731 13.378 1.00 0.00 N ATOM 730 CA VAL A 74 -2.685 14.494 12.946 1.00 0.00 C ATOM 731 C VAL A 74 -2.307 13.033 13.152 1.00 0.00 C ATOM 732 O VAL A 74 -2.177 12.564 14.283 1.00 0.00 O ATOM 733 CB VAL A 74 -1.678 15.398 13.694 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.259 15.162 13.190 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.061 16.862 13.549 1.00 0.00 C ATOM 0 H VAL A 74 -4.162 14.867 14.383 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.637 14.739 11.885 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.710 15.138 14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.432 15.809 13.731 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.017 14.120 13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.209 15.388 12.125 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.340 17.481 14.082 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.063 17.135 12.494 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.055 17.021 13.967 1.00 0.00 H new ATOM 745 N ILE A 75 -2.144 12.321 12.053 1.00 0.00 N ATOM 746 CA ILE A 75 -1.778 10.915 12.092 1.00 0.00 C ATOM 747 C ILE A 75 -0.308 10.732 11.739 1.00 0.00 C ATOM 748 O ILE A 75 0.328 11.633 11.186 1.00 0.00 O ATOM 749 CB ILE A 75 -2.650 10.070 11.137 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.611 10.650 9.719 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.077 10.011 11.652 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.417 9.860 8.707 1.00 0.00 C ATOM 0 H ILE A 75 -2.260 12.697 11.112 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.951 10.566 13.110 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.250 9.057 11.100 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.984 11.674 9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.574 10.697 9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.685 9.413 10.973 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.088 9.557 12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.485 11.020 11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.338 10.335 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.031 8.842 8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.462 9.834 9.015 1.00 0.00 H new ATOM 764 N ASN A 76 0.223 9.564 12.063 1.00 0.00 N ATOM 765 CA ASN A 76 1.630 9.267 11.842 1.00 0.00 C ATOM 766 C ASN A 76 1.792 8.138 10.832 1.00 0.00 C ATOM 767 O ASN A 76 1.357 7.014 11.065 1.00 0.00 O ATOM 768 CB ASN A 76 2.291 8.911 13.176 1.00 0.00 C ATOM 769 CG ASN A 76 3.654 8.267 13.019 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.656 8.950 12.818 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.706 6.950 13.164 1.00 0.00 N ATOM 0 H ASN A 76 -0.305 8.799 12.484 1.00 0.00 H new ATOM 0 HA ASN A 76 2.121 10.148 11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.392 9.815 13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.639 8.234 13.727 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.602 6.466 13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.850 6.421 13.330 1.00 0.00 H new ATOM 778 N ILE A 77 2.417 8.448 9.708 1.00 0.00 N ATOM 779 CA ILE A 77 2.587 7.478 8.636 1.00 0.00 C ATOM 780 C ILE A 77 4.057 7.135 8.464 1.00 0.00 C ATOM 781 O ILE A 77 4.887 8.001 8.172 1.00 0.00 O ATOM 782 CB ILE A 77 2.033 7.983 7.277 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.563 8.401 7.387 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.188 6.908 6.210 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.365 9.813 7.902 1.00 0.00 C ATOM 0 H ILE A 77 2.816 9.366 9.513 1.00 0.00 H new ATOM 0 HA ILE A 77 2.018 6.595 8.927 1.00 0.00 H new ATOM 0 HB ILE A 77 2.612 8.861 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.096 8.313 6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.046 7.707 8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.795 7.277 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.243 6.660 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.637 6.016 6.509 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.701 10.036 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.802 9.902 8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.852 10.518 7.228 1.00 0.00 H new ATOM 797 N THR A 78 4.374 5.870 8.658 1.00 0.00 N ATOM 798 CA THR A 78 5.716 5.382 8.442 1.00 0.00 C ATOM 799 C THR A 78 5.846 4.874 7.008 1.00 0.00 C ATOM 800 O THR A 78 5.140 3.948 6.604 1.00 0.00 O ATOM 801 CB THR A 78 6.071 4.254 9.436 1.00 0.00 C ATOM 802 OG1 THR A 78 5.830 4.695 10.782 1.00 0.00 O ATOM 803 CG2 THR A 78 7.528 3.838 9.294 1.00 0.00 C ATOM 0 H THR A 78 3.712 5.158 8.968 1.00 0.00 H new ATOM 0 HA THR A 78 6.412 6.204 8.608 1.00 0.00 H new ATOM 0 HB THR A 78 5.441 3.394 9.211 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.055 3.975 11.407 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.750 3.043 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.707 3.479 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.172 4.694 9.494 1.00 0.00 H new ATOM 811 N THR A 79 6.712 5.507 6.231 1.00 0.00 N ATOM 812 CA THR A 79 6.921 5.115 4.848 1.00 0.00 C ATOM 813 C THR A 79 8.332 4.580 4.662 1.00 0.00 C ATOM 814 O THR A 79 9.168 4.694 5.561 1.00 0.00 O ATOM 815 CB THR A 79 6.692 6.291 3.874 1.00 0.00 C ATOM 816 OG1 THR A 79 7.626 7.348 4.136 1.00 0.00 O ATOM 817 CG2 THR A 79 5.273 6.825 3.988 1.00 0.00 C ATOM 0 H THR A 79 7.282 6.296 6.537 1.00 0.00 H new ATOM 0 HA THR A 79 6.193 4.337 4.620 1.00 0.00 H new ATOM 0 HB THR A 79 6.845 5.919 2.861 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.139 7.138 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.139 7.652 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.565 6.031 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.096 7.175 5.005 1.00 0.00 H new ATOM 825 N ASP A 80 8.588 4.016 3.491 1.00 0.00 N ATOM 826 CA ASP A 80 9.898 3.463 3.154 1.00 0.00 C ATOM 827 C ASP A 80 11.019 4.478 3.360 1.00 0.00 C ATOM 828 O ASP A 80 12.080 4.151 3.895 1.00 0.00 O ATOM 829 CB ASP A 80 9.899 3.002 1.696 1.00 0.00 C ATOM 830 CG ASP A 80 11.285 2.632 1.203 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.692 1.464 1.387 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.963 3.502 0.618 1.00 0.00 O ATOM 0 H ASP A 80 7.897 3.927 2.746 1.00 0.00 H new ATOM 0 HA ASP A 80 10.081 2.621 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.238 2.142 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.493 3.795 1.068 1.00 0.00 H new ATOM 837 N GLN A 81 10.771 5.716 2.963 1.00 0.00 N ATOM 838 CA GLN A 81 11.823 6.717 2.941 1.00 0.00 C ATOM 839 C GLN A 81 11.622 7.764 4.038 1.00 0.00 C ATOM 840 O GLN A 81 12.001 8.926 3.881 1.00 0.00 O ATOM 841 CB GLN A 81 11.871 7.372 1.557 1.00 0.00 C ATOM 842 CG GLN A 81 13.194 8.056 1.242 1.00 0.00 C ATOM 843 CD GLN A 81 14.390 7.125 1.372 1.00 0.00 C ATOM 844 OE1 GLN A 81 15.490 7.562 1.710 1.00 0.00 O ATOM 845 NE2 GLN A 81 14.188 5.838 1.107 1.00 0.00 N ATOM 0 H GLN A 81 9.858 6.049 2.654 1.00 0.00 H new ATOM 0 HA GLN A 81 12.777 6.228 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.677 6.612 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.068 8.106 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.159 8.454 0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.327 8.905 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.262 5.514 0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.959 5.175 1.181 1.00 0.00 H new ATOM 854 N GLY A 82 11.033 7.353 5.154 1.00 0.00 N ATOM 855 CA GLY A 82 10.934 8.241 6.293 1.00 0.00 C ATOM 856 C GLY A 82 9.607 8.141 7.010 1.00 0.00 C ATOM 857 O GLY A 82 8.705 7.419 6.582 1.00 0.00 O ATOM 0 H GLY A 82 10.625 6.428 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.737 8.014 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.083 9.268 5.959 1.00 0.00 H new ATOM 861 N THR A 83 9.490 8.870 8.102 1.00 0.00 N ATOM 862 CA THR A 83 8.269 8.898 8.882 1.00 0.00 C ATOM 863 C THR A 83 7.701 10.311 8.880 1.00 0.00 C ATOM 864 O THR A 83 8.392 11.265 9.244 1.00 0.00 O ATOM 865 CB THR A 83 8.533 8.454 10.332 1.00 0.00 C ATOM 866 OG1 THR A 83 9.364 7.282 10.342 1.00 0.00 O ATOM 867 CG2 THR A 83 7.227 8.158 11.055 1.00 0.00 C ATOM 0 H THR A 83 10.236 9.458 8.473 1.00 0.00 H new ATOM 0 HA THR A 83 7.555 8.207 8.434 1.00 0.00 H new ATOM 0 HB THR A 83 9.041 9.267 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.529 7.006 11.268 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.440 7.846 12.078 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.608 9.055 11.070 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.696 7.360 10.535 1.00 0.00 H new ATOM 875 N PHE A 84 6.458 10.450 8.450 1.00 0.00 N ATOM 876 CA PHE A 84 5.839 11.759 8.339 1.00 0.00 C ATOM 877 C PHE A 84 4.586 11.835 9.193 1.00 0.00 C ATOM 878 O PHE A 84 3.947 10.819 9.474 1.00 0.00 O ATOM 879 CB PHE A 84 5.468 12.061 6.883 1.00 0.00 C ATOM 880 CG PHE A 84 6.609 11.935 5.912 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.461 13.003 5.687 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.823 10.753 5.218 1.00 0.00 C ATOM 883 CE1 PHE A 84 8.506 12.896 4.791 1.00 0.00 C ATOM 884 CE2 PHE A 84 7.868 10.640 4.321 1.00 0.00 C ATOM 885 CZ PHE A 84 8.710 11.713 4.107 1.00 0.00 C ATOM 0 H PHE A 84 5.859 9.673 8.172 1.00 0.00 H new ATOM 0 HA PHE A 84 6.561 12.496 8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.670 11.385 6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.068 13.073 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.306 13.930 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.166 9.912 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.164 13.736 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.026 9.714 3.788 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.527 11.628 3.406 1.00 0.00 H new ATOM 895 N HIS A 85 4.239 13.041 9.600 1.00 0.00 N ATOM 896 CA HIS A 85 2.992 13.280 10.296 1.00 0.00 C ATOM 897 C HIS A 85 2.074 14.086 9.400 1.00 0.00 C ATOM 898 O HIS A 85 2.473 15.100 8.826 1.00 0.00 O ATOM 899 CB HIS A 85 3.215 13.987 11.640 1.00 0.00 C ATOM 900 CG HIS A 85 3.818 15.361 11.554 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.170 15.589 11.445 1.00 0.00 N ATOM 902 CD2 HIS A 85 3.237 16.585 11.591 1.00 0.00 C ATOM 903 CE1 HIS A 85 5.398 16.889 11.422 1.00 0.00 C ATOM 904 NE2 HIS A 85 4.241 17.516 11.510 1.00 0.00 N ATOM 0 H HIS A 85 4.809 13.875 9.459 1.00 0.00 H new ATOM 0 HA HIS A 85 2.528 12.321 10.524 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.258 14.061 12.156 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.862 13.363 12.257 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.179 16.789 11.670 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.367 17.359 11.344 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.114 18.528 11.517 1.00 0.00 H new ATOM 913 N LEU A 86 0.852 13.628 9.274 1.00 0.00 N ATOM 914 CA LEU A 86 -0.076 14.211 8.328 1.00 0.00 C ATOM 915 C LEU A 86 -1.334 14.653 9.041 1.00 0.00 C ATOM 916 O LEU A 86 -1.853 13.949 9.904 1.00 0.00 O ATOM 917 CB LEU A 86 -0.408 13.188 7.242 1.00 0.00 C ATOM 918 CG LEU A 86 -0.853 13.745 5.887 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.672 12.687 4.814 1.00 0.00 C ATOM 920 CD2 LEU A 86 -2.304 14.197 5.923 1.00 0.00 C ATOM 0 H LEU A 86 0.474 12.851 9.815 1.00 0.00 H new ATOM 0 HA LEU A 86 0.381 15.085 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.471 12.564 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.197 12.536 7.618 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.234 14.613 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.990 13.087 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.378 12.400 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.274 11.812 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.588 14.587 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.943 13.351 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.423 14.978 6.674 1.00 0.00 H new ATOM 932 N LYS A 87 -1.813 15.819 8.680 1.00 0.00 N ATOM 933 CA LYS A 87 -3.036 16.344 9.256 1.00 0.00 C ATOM 934 C LYS A 87 -4.168 16.163 8.263 1.00 0.00 C ATOM 935 O LYS A 87 -4.185 16.796 7.205 1.00 0.00 O ATOM 936 CB LYS A 87 -2.873 17.816 9.636 1.00 0.00 C ATOM 937 CG LYS A 87 -4.051 18.372 10.416 1.00 0.00 C ATOM 938 CD LYS A 87 -3.716 19.712 11.045 1.00 0.00 C ATOM 939 CE LYS A 87 -4.839 20.198 11.943 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.434 21.380 12.743 1.00 0.00 N ATOM 0 H LYS A 87 -1.376 16.427 7.988 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.267 15.797 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.966 17.932 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.737 18.405 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.908 18.484 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.340 17.665 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.797 19.624 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.530 20.447 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.707 20.451 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.143 19.393 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.228 21.682 13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.622 21.131 13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.168 22.157 12.105 1.00 0.00 H new ATOM 954 N THR A 88 -5.093 15.284 8.600 1.00 0.00 N ATOM 955 CA THR A 88 -6.149 14.882 7.686 1.00 0.00 C ATOM 956 C THR A 88 -7.012 16.055 7.235 1.00 0.00 C ATOM 957 O THR A 88 -7.295 16.978 8.006 1.00 0.00 O ATOM 958 CB THR A 88 -7.038 13.818 8.338 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.452 14.269 9.633 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.291 12.498 8.461 1.00 0.00 C ATOM 0 H THR A 88 -5.135 14.829 9.512 1.00 0.00 H new ATOM 0 HA THR A 88 -5.660 14.472 6.802 1.00 0.00 H new ATOM 0 HB THR A 88 -7.915 13.659 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.254 13.779 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.939 11.755 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.997 12.153 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.402 12.639 9.075 1.00 0.00 H new ATOM 968 N GLY A 89 -7.418 16.012 5.978 1.00 0.00 N ATOM 969 CA GLY A 89 -8.296 17.023 5.441 1.00 0.00 C ATOM 970 C GLY A 89 -9.434 16.398 4.670 1.00 0.00 C ATOM 971 O GLY A 89 -10.050 15.443 5.140 1.00 0.00 O ATOM 0 H GLY A 89 -7.151 15.285 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.693 17.633 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.732 17.689 4.788 1.00 0.00 H new ATOM 1101 N ALA A 98 -12.032 12.369 7.372 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.581 12.451 7.218 1.00 0.00 C ATOM 1103 C ALA A 98 -10.108 11.853 5.898 1.00 0.00 C ATOM 1104 O ALA A 98 -10.276 10.661 5.645 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.904 11.744 8.382 1.00 0.00 C ATOM 0 HA ALA A 98 -10.307 13.506 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.822 11.806 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.196 12.221 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.208 10.697 8.398 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.534 12.696 5.052 1.00 0.00 N ATOM 1112 CA TYR A 99 -8.999 12.257 3.776 1.00 0.00 C ATOM 1113 C TYR A 99 -7.510 12.588 3.712 1.00 0.00 C ATOM 1114 O TYR A 99 -7.095 13.683 4.103 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.754 12.942 2.633 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.643 12.235 1.300 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -8.623 12.538 0.408 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -10.573 11.271 0.929 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -8.530 11.899 -0.815 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -10.485 10.625 -0.289 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.464 10.944 -1.158 1.00 0.00 C ATOM 1122 OH TYR A 99 -9.378 10.306 -2.377 1.00 0.00 O ATOM 0 H TYR A 99 -9.428 13.695 5.230 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.126 11.179 3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.807 13.019 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.378 13.959 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.890 13.285 0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -11.378 11.023 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.730 12.146 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.213 9.874 -0.559 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.112 9.662 -2.461 1.00 0.00 H new ATOM 1132 N MET A 100 -6.713 11.637 3.240 1.00 0.00 N ATOM 1133 CA MET A 100 -5.265 11.819 3.165 1.00 0.00 C ATOM 1134 C MET A 100 -4.885 12.700 1.974 1.00 0.00 C ATOM 1135 O MET A 100 -4.187 13.696 2.133 1.00 0.00 O ATOM 1136 CB MET A 100 -4.558 10.465 3.078 1.00 0.00 C ATOM 1137 CG MET A 100 -3.041 10.564 3.060 1.00 0.00 C ATOM 1138 SD MET A 100 -2.239 8.951 3.154 1.00 0.00 S ATOM 1139 CE MET A 100 -2.784 8.387 4.768 1.00 0.00 C ATOM 0 H MET A 100 -7.042 10.732 2.903 1.00 0.00 H new ATOM 0 HA MET A 100 -4.940 12.322 4.075 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.863 9.852 3.926 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.890 9.950 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 100 -2.725 11.070 2.148 1.00 0.00 H new ATOM 0 HG3 MET A 100 -2.711 11.179 3.897 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.078 7.652 5.154 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.836 9.235 5.451 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.770 7.931 4.680 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.352 12.333 0.788 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.094 13.152 -0.383 1.00 0.00 C ATOM 1151 C GLY A 101 -4.273 12.445 -1.443 1.00 0.00 C ATOM 1152 O GLY A 101 -3.717 13.085 -2.335 1.00 0.00 O ATOM 0 H GLY A 101 -5.900 11.491 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.045 13.462 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.573 14.059 -0.075 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.196 11.127 -1.355 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.446 10.346 -2.328 1.00 0.00 C ATOM 1158 C ILE A 102 -4.287 9.195 -2.855 1.00 0.00 C ATOM 1159 O ILE A 102 -5.205 8.722 -2.181 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.148 9.764 -1.719 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.486 8.725 -0.640 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.283 10.875 -1.138 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.283 7.971 -0.120 1.00 0.00 C ATOM 0 H ILE A 102 -4.642 10.576 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.185 11.024 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.584 9.272 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.976 9.227 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.202 8.011 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.375 10.446 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.018 11.580 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.836 11.396 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.602 7.256 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.804 7.439 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.575 8.674 0.319 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.983 8.772 -4.069 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.516 7.535 -4.607 1.00 0.00 C ATOM 1177 C ARG A 103 -3.672 6.389 -4.084 1.00 0.00 C ATOM 1178 O ARG A 103 -2.455 6.393 -4.243 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.495 7.553 -6.141 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.658 8.309 -6.761 1.00 0.00 C ATOM 1181 CD ARG A 103 -5.443 8.580 -8.245 1.00 0.00 C ATOM 1182 NE ARG A 103 -5.082 7.377 -9.004 1.00 0.00 N ATOM 1183 CZ ARG A 103 -5.921 6.715 -9.805 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -7.205 7.052 -9.856 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -5.477 5.701 -10.543 1.00 0.00 N ATOM 0 H ARG A 103 -3.364 9.273 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.553 7.415 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.561 8.003 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.504 6.526 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.575 7.735 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.795 9.255 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.353 9.008 -8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.656 9.326 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.129 7.024 -8.914 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.554 7.819 -9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.842 6.543 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.495 5.429 -10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.118 5.196 -11.154 1.00 0.00 H new ATOM 1199 N THR A 104 -4.298 5.438 -3.428 1.00 0.00 N ATOM 1200 CA THR A 104 -3.564 4.330 -2.857 1.00 0.00 C ATOM 1201 C THR A 104 -3.931 3.032 -3.557 1.00 0.00 C ATOM 1202 O THR A 104 -5.052 2.871 -4.044 1.00 0.00 O ATOM 1203 CB THR A 104 -3.851 4.185 -1.357 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.086 5.475 -0.778 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.687 3.520 -0.640 1.00 0.00 C ATOM 0 H THR A 104 -5.306 5.408 -3.277 1.00 0.00 H new ATOM 0 HA THR A 104 -2.503 4.537 -2.996 1.00 0.00 H new ATOM 0 HB THR A 104 -4.736 3.560 -1.242 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.470 5.367 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.917 3.430 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.519 2.528 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.789 4.124 -0.766 1.00 0.00 H new ATOM 1213 N SER A 105 -2.977 2.125 -3.622 1.00 0.00 N ATOM 1214 CA SER A 105 -3.189 0.809 -4.200 1.00 0.00 C ATOM 1215 C SER A 105 -2.186 -0.158 -3.607 1.00 0.00 C ATOM 1216 O SER A 105 -1.173 0.264 -3.077 1.00 0.00 O ATOM 1217 CB SER A 105 -3.027 0.850 -5.721 1.00 0.00 C ATOM 1218 OG SER A 105 -3.959 1.737 -6.322 1.00 0.00 O ATOM 0 H SER A 105 -2.030 2.278 -3.275 1.00 0.00 H new ATOM 0 HA SER A 105 -4.204 0.483 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.013 1.162 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.162 -0.152 -6.129 1.00 0.00 H new ATOM 0 HG SER A 105 -4.539 2.119 -5.631 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.461 -1.443 -3.693 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.533 -2.451 -3.198 1.00 0.00 C ATOM 1226 C ASN A 106 -0.307 -2.497 -4.095 1.00 0.00 C ATOM 1227 O ASN A 106 0.807 -2.734 -3.632 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.204 -3.830 -3.144 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.191 -3.966 -1.999 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.019 -3.379 -0.935 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.245 -4.735 -2.214 1.00 0.00 N ATOM 0 H ASN A 106 -3.318 -1.819 -4.100 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.230 -2.183 -2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.721 -4.013 -4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.436 -4.598 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.946 -4.855 -1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.357 -5.208 -3.111 1.00 0.00 H new