USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=24 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 58 ASN : amide:sc= 1.73 K(o=-0.22,f=-18!) USER MOD Set 1.2: A 106 ASN : amide:sc= -1.95! C(o=-0.22!,f=-9.2!) USER MOD Set 2.1: A 54 MET CE :methyl -159:sc= -0.154 (180deg=-0.693) USER MOD Set 2.2: A 68 THR OG1 : rot -48:sc= 1.26 USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= -0.114 USER MOD Set 3.2: A 100 MET CE :methyl -173:sc= -1.2 (180deg=-1.04) USER MOD Set 3.3: A 104 THR OG1 : rot -168:sc= 1.3 USER MOD Single : A 28 GLN : amide:sc= -0.511 K(o=-0.51,f=-7.8!) USER MOD Single : A 31 SER OG : rot -87:sc= 1.29 USER MOD Single : A 36 SER OG : rot -56:sc= -0.39 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0748) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 52 ASN : amide:sc= -0.0986 K(o=-0.099,f=-2.1!) USER MOD Single : A 56 THR OG1 : rot 55:sc= 0.169 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 61 THR OG1 : rot 17:sc= 1.09 USER MOD Single : A 63 SER OG : rot 77:sc= 0.842 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.039 K(o=-0.039,f=-1) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 79 THR OG1 : rot -8:sc= 0.546 USER MOD Single : A 81 GLN : amide:sc= 0.772 K(o=0.77,f=-2.2!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.24) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.179 (180deg=-0.602) USER MOD Single : A 88 THR OG1 : rot 177:sc= 0.826 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -34:sc= 0.354 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.799 -6.613 1.794 1.00 0.00 N ATOM 33 CA ASP A 25 2.232 -6.339 1.665 1.00 0.00 C ATOM 34 C ASP A 25 2.535 -4.885 2.002 1.00 0.00 C ATOM 35 O ASP A 25 3.479 -4.584 2.732 1.00 0.00 O ATOM 36 CB ASP A 25 2.718 -6.656 0.249 1.00 0.00 C ATOM 37 CG ASP A 25 4.231 -6.720 0.156 1.00 0.00 C ATOM 38 OD1 ASP A 25 4.804 -7.756 0.559 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.854 -5.752 -0.336 1.00 0.00 O ATOM 0 HA ASP A 25 2.761 -6.981 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.297 -7.609 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.347 -5.896 -0.438 1.00 0.00 H new ATOM 44 N GLY A 26 1.713 -3.992 1.481 1.00 0.00 N ATOM 45 CA GLY A 26 1.898 -2.575 1.719 1.00 0.00 C ATOM 46 C GLY A 26 1.249 -1.737 0.639 1.00 0.00 C ATOM 47 O GLY A 26 1.434 -2.003 -0.550 1.00 0.00 O ATOM 0 H GLY A 26 0.913 -4.224 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.475 -2.310 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.963 -2.349 1.764 1.00 0.00 H new ATOM 51 N VAL A 27 0.489 -0.733 1.048 1.00 0.00 N ATOM 52 CA VAL A 27 -0.224 0.117 0.105 1.00 0.00 C ATOM 53 C VAL A 27 0.731 1.050 -0.634 1.00 0.00 C ATOM 54 O VAL A 27 1.681 1.587 -0.052 1.00 0.00 O ATOM 55 CB VAL A 27 -1.332 0.944 0.796 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.419 0.028 1.334 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.757 1.800 1.914 1.00 0.00 C ATOM 0 H VAL A 27 0.349 -0.486 2.028 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.696 -0.549 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.772 1.609 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.192 0.625 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.858 -0.537 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.987 -0.662 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.558 2.372 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.285 1.158 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.015 2.485 1.503 1.00 0.00 H new ATOM 67 N GLN A 28 0.477 1.228 -1.920 1.00 0.00 N ATOM 68 CA GLN A 28 1.328 2.056 -2.762 1.00 0.00 C ATOM 69 C GLN A 28 0.643 3.364 -3.113 1.00 0.00 C ATOM 70 O GLN A 28 -0.536 3.386 -3.482 1.00 0.00 O ATOM 71 CB GLN A 28 1.699 1.278 -4.027 1.00 0.00 C ATOM 72 CG GLN A 28 2.277 2.102 -5.172 1.00 0.00 C ATOM 73 CD GLN A 28 3.630 2.701 -4.858 1.00 0.00 C ATOM 74 OE1 GLN A 28 3.726 3.828 -4.403 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.688 1.944 -5.096 1.00 0.00 N ATOM 0 H GLN A 28 -0.315 0.808 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 28 2.237 2.303 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.423 0.509 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.808 0.765 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.364 1.471 -6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.582 2.904 -5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.568 1.006 -5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.624 2.299 -4.898 1.00 0.00 H new ATOM 84 N ILE A 29 1.383 4.450 -2.981 1.00 0.00 N ATOM 85 CA ILE A 29 0.889 5.757 -3.372 1.00 0.00 C ATOM 86 C ILE A 29 0.858 5.864 -4.891 1.00 0.00 C ATOM 87 O ILE A 29 1.899 5.988 -5.539 1.00 0.00 O ATOM 88 CB ILE A 29 1.753 6.899 -2.805 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.815 6.815 -1.277 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.214 8.255 -3.250 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.664 7.895 -0.643 1.00 0.00 C ATOM 0 H ILE A 29 2.331 4.452 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.116 5.859 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 29 2.765 6.792 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.803 6.879 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.210 5.840 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.839 9.048 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.226 8.312 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.192 8.376 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.661 7.772 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.686 7.819 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.258 8.874 -0.898 1.00 0.00 H new ATOM 103 N ASP A 30 -0.340 5.801 -5.445 1.00 0.00 N ATOM 104 CA ASP A 30 -0.536 5.846 -6.890 1.00 0.00 C ATOM 105 C ASP A 30 -0.057 7.172 -7.443 1.00 0.00 C ATOM 106 O ASP A 30 0.908 7.239 -8.207 1.00 0.00 O ATOM 107 CB ASP A 30 -2.014 5.664 -7.229 1.00 0.00 C ATOM 108 CG ASP A 30 -2.277 5.680 -8.723 1.00 0.00 C ATOM 109 OD1 ASP A 30 -2.164 4.616 -9.361 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.614 6.758 -9.264 1.00 0.00 O ATOM 0 H ASP A 30 -1.205 5.717 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 30 0.040 5.037 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.365 4.720 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.592 6.456 -6.754 1.00 0.00 H new ATOM 115 N SER A 31 -0.738 8.228 -7.040 1.00 0.00 N ATOM 116 CA SER A 31 -0.403 9.560 -7.487 1.00 0.00 C ATOM 117 C SER A 31 -0.902 10.603 -6.495 1.00 0.00 C ATOM 118 O SER A 31 -1.861 10.367 -5.755 1.00 0.00 O ATOM 119 CB SER A 31 -0.996 9.810 -8.876 1.00 0.00 C ATOM 120 OG SER A 31 -2.358 9.415 -8.933 1.00 0.00 O ATOM 0 H SER A 31 -1.531 8.185 -6.400 1.00 0.00 H new ATOM 0 HA SER A 31 0.682 9.645 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.911 10.868 -9.125 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.424 9.260 -9.623 1.00 0.00 H new ATOM 0 HG SER A 31 -2.414 8.465 -9.166 1.00 0.00 H new ATOM 126 N VAL A 32 -0.219 11.732 -6.463 1.00 0.00 N ATOM 127 CA VAL A 32 -0.624 12.868 -5.655 1.00 0.00 C ATOM 128 C VAL A 32 -1.590 13.740 -6.449 1.00 0.00 C ATOM 129 O VAL A 32 -1.243 14.238 -7.521 1.00 0.00 O ATOM 130 CB VAL A 32 0.604 13.707 -5.242 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.189 14.905 -4.403 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.616 12.851 -4.495 1.00 0.00 C ATOM 0 H VAL A 32 0.635 11.888 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.114 12.498 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 32 1.077 14.080 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.073 15.479 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.487 15.536 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.317 14.560 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.473 13.463 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.153 12.440 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.948 12.036 -5.138 1.00 0.00 H new ATOM 142 N VAL A 33 -2.796 13.919 -5.931 1.00 0.00 N ATOM 143 CA VAL A 33 -3.813 14.682 -6.629 1.00 0.00 C ATOM 144 C VAL A 33 -3.613 16.178 -6.398 1.00 0.00 C ATOM 145 O VAL A 33 -2.913 16.579 -5.465 1.00 0.00 O ATOM 146 CB VAL A 33 -5.232 14.264 -6.186 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.449 12.778 -6.414 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.495 14.635 -4.734 1.00 0.00 C ATOM 0 H VAL A 33 -3.092 13.545 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.713 14.470 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.947 14.813 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.455 12.504 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.330 12.551 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.719 12.211 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.503 14.326 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.771 14.131 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.399 15.714 -4.611 1.00 0.00 H new ATOM 158 N PRO A 34 -4.191 17.025 -7.261 1.00 0.00 N ATOM 159 CA PRO A 34 -4.087 18.478 -7.128 1.00 0.00 C ATOM 160 C PRO A 34 -4.810 19.003 -5.890 1.00 0.00 C ATOM 161 O PRO A 34 -6.036 19.156 -5.891 1.00 0.00 O ATOM 162 CB PRO A 34 -4.755 19.016 -8.402 1.00 0.00 C ATOM 163 CG PRO A 34 -4.859 17.848 -9.323 1.00 0.00 C ATOM 164 CD PRO A 34 -4.976 16.640 -8.442 1.00 0.00 C ATOM 0 HA PRO A 34 -3.050 18.795 -7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.739 19.432 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.163 19.815 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.727 17.941 -9.976 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.982 17.779 -9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.013 16.424 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.574 15.748 -8.922 1.00 0.00 H new ATOM 172 N GLY A 35 -4.051 19.255 -4.830 1.00 0.00 N ATOM 173 CA GLY A 35 -4.631 19.781 -3.613 1.00 0.00 C ATOM 174 C GLY A 35 -3.948 19.252 -2.367 1.00 0.00 C ATOM 175 O GLY A 35 -2.856 18.694 -2.455 1.00 0.00 O ATOM 0 H GLY A 35 -3.043 19.104 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.566 20.869 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.690 19.525 -3.579 1.00 0.00 H new ATOM 179 N SER A 36 -4.607 19.440 -1.220 1.00 0.00 N ATOM 180 CA SER A 36 -4.133 18.991 0.100 1.00 0.00 C ATOM 181 C SER A 36 -2.837 19.699 0.522 1.00 0.00 C ATOM 182 O SER A 36 -2.096 20.227 -0.310 1.00 0.00 O ATOM 183 CB SER A 36 -3.942 17.465 0.146 1.00 0.00 C ATOM 184 OG SER A 36 -2.770 17.051 -0.535 1.00 0.00 O ATOM 0 H SER A 36 -5.506 19.919 -1.178 1.00 0.00 H new ATOM 0 HA SER A 36 -4.911 19.263 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.891 17.138 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.810 16.978 -0.299 1.00 0.00 H new ATOM 0 HG SER A 36 -2.800 17.370 -1.461 1.00 0.00 H new ATOM 190 N PRO A 37 -2.558 19.736 1.836 1.00 0.00 N ATOM 191 CA PRO A 37 -1.320 20.295 2.370 1.00 0.00 C ATOM 192 C PRO A 37 -0.167 19.291 2.321 1.00 0.00 C ATOM 193 O PRO A 37 0.977 19.627 2.626 1.00 0.00 O ATOM 194 CB PRO A 37 -1.667 20.637 3.829 1.00 0.00 C ATOM 195 CG PRO A 37 -3.089 20.208 4.036 1.00 0.00 C ATOM 196 CD PRO A 37 -3.428 19.267 2.915 1.00 0.00 C ATOM 0 HA PRO A 37 -0.983 21.155 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.000 20.119 4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.552 21.705 4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.208 19.717 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.757 21.069 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.223 18.230 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.481 19.324 2.641 1.00 0.00 H new ATOM 204 N ALA A 38 -0.475 18.061 1.923 1.00 0.00 N ATOM 205 CA ALA A 38 0.513 16.989 1.901 1.00 0.00 C ATOM 206 C ALA A 38 1.118 16.818 0.512 1.00 0.00 C ATOM 207 O ALA A 38 1.999 15.980 0.310 1.00 0.00 O ATOM 208 CB ALA A 38 -0.118 15.687 2.362 1.00 0.00 C ATOM 0 H ALA A 38 -1.405 17.781 1.610 1.00 0.00 H new ATOM 0 HA ALA A 38 1.317 17.260 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.629 14.893 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.494 15.805 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.942 15.427 1.698 1.00 0.00 H new ATOM 214 N SER A 39 0.659 17.631 -0.433 1.00 0.00 N ATOM 215 CA SER A 39 1.090 17.524 -1.824 1.00 0.00 C ATOM 216 C SER A 39 2.596 17.741 -1.965 1.00 0.00 C ATOM 217 O SER A 39 3.230 17.174 -2.855 1.00 0.00 O ATOM 218 CB SER A 39 0.328 18.534 -2.688 1.00 0.00 C ATOM 219 OG SER A 39 0.649 18.388 -4.064 1.00 0.00 O ATOM 0 H SER A 39 -0.016 18.376 -0.260 1.00 0.00 H new ATOM 0 HA SER A 39 0.867 16.514 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.744 18.399 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.567 19.546 -2.363 1.00 0.00 H new ATOM 0 HG SER A 39 0.146 19.045 -4.589 1.00 0.00 H new ATOM 225 N LYS A 40 3.167 18.557 -1.090 1.00 0.00 N ATOM 226 CA LYS A 40 4.594 18.839 -1.151 1.00 0.00 C ATOM 227 C LYS A 40 5.333 18.143 -0.007 1.00 0.00 C ATOM 228 O LYS A 40 6.527 18.347 0.189 1.00 0.00 O ATOM 229 CB LYS A 40 4.840 20.354 -1.118 1.00 0.00 C ATOM 230 CG LYS A 40 6.284 20.752 -1.416 1.00 0.00 C ATOM 231 CD LYS A 40 6.470 22.259 -1.412 1.00 0.00 C ATOM 232 CE LYS A 40 7.932 22.640 -1.584 1.00 0.00 C ATOM 233 NZ LYS A 40 8.494 22.177 -2.882 1.00 0.00 N ATOM 0 H LYS A 40 2.670 19.031 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 40 4.984 18.447 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.184 20.835 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.563 20.736 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.944 20.303 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.577 20.353 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.881 22.702 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.093 22.671 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.032 23.723 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.514 22.213 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.453 22.562 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.534 21.138 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.888 22.507 -3.660 1.00 0.00 H new ATOM 247 N VAL A 41 4.627 17.299 0.731 1.00 0.00 N ATOM 248 CA VAL A 41 5.251 16.566 1.829 1.00 0.00 C ATOM 249 C VAL A 41 5.781 15.226 1.331 1.00 0.00 C ATOM 250 O VAL A 41 6.968 14.923 1.468 1.00 0.00 O ATOM 251 CB VAL A 41 4.273 16.338 3.005 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.956 15.585 4.138 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.714 17.655 3.510 1.00 0.00 C ATOM 0 H VAL A 41 3.635 17.104 0.595 1.00 0.00 H new ATOM 0 HA VAL A 41 6.077 17.174 2.198 1.00 0.00 H new ATOM 0 HB VAL A 41 3.445 15.733 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.249 15.436 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.301 14.617 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.808 16.162 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.029 17.466 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.531 18.289 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.179 18.157 2.703 1.00 0.00 H new ATOM 263 N LEU A 42 4.900 14.431 0.731 1.00 0.00 N ATOM 264 CA LEU A 42 5.291 13.144 0.175 1.00 0.00 C ATOM 265 C LEU A 42 5.272 13.207 -1.342 1.00 0.00 C ATOM 266 O LEU A 42 4.665 14.103 -1.929 1.00 0.00 O ATOM 267 CB LEU A 42 4.368 12.006 0.640 1.00 0.00 C ATOM 268 CG LEU A 42 4.311 11.756 2.151 1.00 0.00 C ATOM 269 CD1 LEU A 42 3.357 12.724 2.834 1.00 0.00 C ATOM 270 CD2 LEU A 42 3.900 10.319 2.433 1.00 0.00 C ATOM 0 H LEU A 42 3.912 14.657 0.618 1.00 0.00 H new ATOM 0 HA LEU A 42 6.298 12.932 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.358 12.219 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.687 11.085 0.152 1.00 0.00 H new ATOM 0 HG LEU A 42 5.308 11.924 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.338 12.522 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.693 13.747 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.355 12.598 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.864 10.156 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.916 10.131 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.626 9.639 1.987 1.00 0.00 H new ATOM 282 N THR A 43 5.940 12.262 -1.970 1.00 0.00 N ATOM 283 CA THR A 43 5.959 12.171 -3.418 1.00 0.00 C ATOM 284 C THR A 43 5.217 10.918 -3.861 1.00 0.00 C ATOM 285 O THR A 43 5.094 9.964 -3.089 1.00 0.00 O ATOM 286 CB THR A 43 7.403 12.135 -3.957 1.00 0.00 C ATOM 287 OG1 THR A 43 8.175 11.167 -3.229 1.00 0.00 O ATOM 288 CG2 THR A 43 8.062 13.504 -3.856 1.00 0.00 C ATOM 0 H THR A 43 6.482 11.539 -1.497 1.00 0.00 H new ATOM 0 HA THR A 43 5.467 13.056 -3.821 1.00 0.00 H new ATOM 0 HB THR A 43 7.365 11.852 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.090 11.149 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.079 13.448 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.491 14.227 -4.439 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.088 13.819 -2.813 1.00 0.00 H new ATOM 296 N PRO A 44 4.696 10.895 -5.093 1.00 0.00 N ATOM 297 CA PRO A 44 4.005 9.719 -5.610 1.00 0.00 C ATOM 298 C PRO A 44 4.975 8.570 -5.868 1.00 0.00 C ATOM 299 O PRO A 44 6.131 8.790 -6.235 1.00 0.00 O ATOM 300 CB PRO A 44 3.377 10.216 -6.910 1.00 0.00 C ATOM 301 CG PRO A 44 4.236 11.354 -7.339 1.00 0.00 C ATOM 302 CD PRO A 44 4.743 11.994 -6.074 1.00 0.00 C ATOM 0 HA PRO A 44 3.271 9.321 -4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.356 9.430 -7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.347 10.535 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.063 11.006 -7.958 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.668 12.067 -7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.755 12.380 -6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.117 12.832 -5.769 1.00 0.00 H new ATOM 310 N GLY A 45 4.505 7.355 -5.657 1.00 0.00 N ATOM 311 CA GLY A 45 5.343 6.191 -5.873 1.00 0.00 C ATOM 312 C GLY A 45 6.035 5.695 -4.611 1.00 0.00 C ATOM 313 O GLY A 45 6.948 4.873 -4.692 1.00 0.00 O ATOM 0 H GLY A 45 3.558 7.149 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.733 5.386 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.099 6.431 -6.621 1.00 0.00 H new ATOM 317 N LEU A 46 5.618 6.190 -3.445 1.00 0.00 N ATOM 318 CA LEU A 46 6.184 5.721 -2.184 1.00 0.00 C ATOM 319 C LEU A 46 5.285 4.666 -1.542 1.00 0.00 C ATOM 320 O LEU A 46 4.100 4.568 -1.853 1.00 0.00 O ATOM 321 CB LEU A 46 6.379 6.889 -1.215 1.00 0.00 C ATOM 322 CG LEU A 46 7.301 8.002 -1.715 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.402 9.110 -0.681 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.682 7.452 -2.039 1.00 0.00 C ATOM 0 H LEU A 46 4.899 6.907 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 46 7.153 5.271 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.404 7.321 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.779 6.501 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 46 6.874 8.416 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.062 9.895 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.412 9.526 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.805 8.706 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.322 8.260 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.117 7.011 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.598 6.690 -2.814 1.00 0.00 H new ATOM 336 N VAL A 47 5.847 3.908 -0.611 1.00 0.00 N ATOM 337 CA VAL A 47 5.113 2.832 0.041 1.00 0.00 C ATOM 338 C VAL A 47 4.838 3.172 1.499 1.00 0.00 C ATOM 339 O VAL A 47 5.747 3.540 2.248 1.00 0.00 O ATOM 340 CB VAL A 47 5.878 1.490 -0.043 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.098 0.375 0.635 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.171 1.132 -1.493 1.00 0.00 C ATOM 0 H VAL A 47 6.809 4.018 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 47 4.166 2.722 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 47 6.825 1.608 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.658 -0.557 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.945 0.625 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.131 0.257 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.710 0.185 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.234 1.039 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.780 1.915 -1.945 1.00 0.00 H new ATOM 352 N ILE A 48 3.578 3.055 1.886 1.00 0.00 N ATOM 353 CA ILE A 48 3.153 3.338 3.250 1.00 0.00 C ATOM 354 C ILE A 48 3.195 2.070 4.093 1.00 0.00 C ATOM 355 O ILE A 48 2.535 1.078 3.776 1.00 0.00 O ATOM 356 CB ILE A 48 1.725 3.924 3.276 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.661 5.196 2.425 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.290 4.210 4.707 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.263 5.749 2.254 1.00 0.00 C ATOM 0 H ILE A 48 2.822 2.762 1.267 1.00 0.00 H new ATOM 0 HA ILE A 48 3.841 4.074 3.666 1.00 0.00 H new ATOM 0 HB ILE A 48 1.038 3.190 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.290 5.960 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.081 4.985 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.281 4.623 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.303 3.285 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.975 4.928 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.300 6.649 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.366 5.004 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.154 5.993 3.231 1.00 0.00 H new ATOM 371 N GLU A 49 3.974 2.108 5.164 1.00 0.00 N ATOM 372 CA GLU A 49 4.117 0.962 6.045 1.00 0.00 C ATOM 373 C GLU A 49 2.969 0.901 7.037 1.00 0.00 C ATOM 374 O GLU A 49 2.321 -0.135 7.194 1.00 0.00 O ATOM 375 CB GLU A 49 5.441 1.017 6.809 1.00 0.00 C ATOM 376 CG GLU A 49 6.678 1.023 5.923 1.00 0.00 C ATOM 377 CD GLU A 49 7.961 0.954 6.729 1.00 0.00 C ATOM 378 OE1 GLU A 49 8.103 1.739 7.690 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.828 0.113 6.409 1.00 0.00 O ATOM 0 H GLU A 49 4.518 2.924 5.443 1.00 0.00 H new ATOM 0 HA GLU A 49 4.104 0.067 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.450 1.912 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.495 0.161 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.636 0.177 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.682 1.927 5.314 1.00 0.00 H new ATOM 386 N SER A 50 2.702 2.018 7.700 1.00 0.00 N ATOM 387 CA SER A 50 1.732 2.022 8.778 1.00 0.00 C ATOM 388 C SER A 50 1.201 3.415 9.064 1.00 0.00 C ATOM 389 O SER A 50 1.866 4.421 8.797 1.00 0.00 O ATOM 390 CB SER A 50 2.358 1.421 10.042 1.00 0.00 C ATOM 391 OG SER A 50 3.623 2.001 10.311 1.00 0.00 O ATOM 0 H SER A 50 3.139 2.920 7.511 1.00 0.00 H new ATOM 0 HA SER A 50 0.884 1.413 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.694 1.580 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.467 0.343 9.920 1.00 0.00 H new ATOM 0 HG SER A 50 4.000 1.602 11.123 1.00 0.00 H new ATOM 397 N ILE A 51 -0.008 3.457 9.602 1.00 0.00 N ATOM 398 CA ILE A 51 -0.633 4.706 10.004 1.00 0.00 C ATOM 399 C ILE A 51 -1.001 4.656 11.483 1.00 0.00 C ATOM 400 O ILE A 51 -1.985 4.027 11.868 1.00 0.00 O ATOM 401 CB ILE A 51 -1.897 5.029 9.173 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.545 5.132 7.685 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.532 6.330 9.658 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.734 5.429 6.793 1.00 0.00 C ATOM 0 H ILE A 51 -0.581 2.630 9.771 1.00 0.00 H new ATOM 0 HA ILE A 51 0.095 5.497 9.823 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.615 4.220 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.798 5.915 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.087 4.196 7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.420 6.545 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.812 6.229 10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.817 7.146 9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.405 5.487 5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.473 4.635 6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.180 6.380 7.086 1.00 0.00 H new ATOM 416 N ASN A 52 -0.173 5.300 12.305 1.00 0.00 N ATOM 417 CA ASN A 52 -0.419 5.416 13.744 1.00 0.00 C ATOM 418 C ASN A 52 -0.606 4.042 14.385 1.00 0.00 C ATOM 419 O ASN A 52 -1.706 3.671 14.804 1.00 0.00 O ATOM 420 CB ASN A 52 -1.641 6.298 13.996 1.00 0.00 C ATOM 421 CG ASN A 52 -1.735 6.808 15.424 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.288 6.161 16.374 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.304 7.991 15.577 1.00 0.00 N ATOM 0 H ASN A 52 0.685 5.755 11.994 1.00 0.00 H new ATOM 0 HA ASN A 52 0.453 5.880 14.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.612 7.149 13.316 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.542 5.732 13.760 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.386 8.401 16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.661 8.494 14.765 1.00 0.00 H new ATOM 430 N GLY A 53 0.471 3.275 14.415 1.00 0.00 N ATOM 431 CA GLY A 53 0.439 1.955 15.023 1.00 0.00 C ATOM 432 C GLY A 53 -0.175 0.901 14.118 1.00 0.00 C ATOM 433 O GLY A 53 0.366 -0.195 13.971 1.00 0.00 O ATOM 0 H GLY A 53 1.376 3.542 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.454 1.656 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.128 2.003 15.953 1.00 0.00 H new ATOM 437 N MET A 54 -1.306 1.234 13.515 1.00 0.00 N ATOM 438 CA MET A 54 -2.019 0.315 12.639 1.00 0.00 C ATOM 439 C MET A 54 -1.385 0.313 11.251 1.00 0.00 C ATOM 440 O MET A 54 -1.408 1.322 10.550 1.00 0.00 O ATOM 441 CB MET A 54 -3.493 0.720 12.547 1.00 0.00 C ATOM 442 CG MET A 54 -4.211 0.707 13.889 1.00 0.00 C ATOM 443 SD MET A 54 -5.915 1.293 13.790 1.00 0.00 S ATOM 444 CE MET A 54 -5.660 2.996 13.288 1.00 0.00 C ATOM 0 H MET A 54 -1.754 2.144 13.618 1.00 0.00 H new ATOM 0 HA MET A 54 -1.954 -0.691 13.053 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.561 1.719 12.117 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.006 0.043 11.863 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.205 -0.308 14.287 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.660 1.329 14.594 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.542 3.585 13.538 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.793 3.403 13.808 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.490 3.037 12.212 1.00 0.00 H new ATOM 454 N PRO A 55 -0.796 -0.815 10.839 1.00 0.00 N ATOM 455 CA PRO A 55 -0.103 -0.911 9.560 1.00 0.00 C ATOM 456 C PRO A 55 -1.060 -1.110 8.389 1.00 0.00 C ATOM 457 O PRO A 55 -2.100 -1.759 8.521 1.00 0.00 O ATOM 458 CB PRO A 55 0.787 -2.130 9.748 1.00 0.00 C ATOM 459 CG PRO A 55 0.032 -3.007 10.691 1.00 0.00 C ATOM 460 CD PRO A 55 -0.767 -2.088 11.583 1.00 0.00 C ATOM 0 HA PRO A 55 0.442 0.001 9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.973 -2.635 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.758 -1.852 10.157 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.624 -3.687 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.713 -3.622 11.279 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.772 -2.473 11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.297 -1.970 12.560 1.00 0.00 H new ATOM 468 N THR A 56 -0.709 -0.548 7.245 1.00 0.00 N ATOM 469 CA THR A 56 -1.544 -0.660 6.069 1.00 0.00 C ATOM 470 C THR A 56 -0.892 -1.545 5.018 1.00 0.00 C ATOM 471 O THR A 56 -0.327 -1.063 4.035 1.00 0.00 O ATOM 472 CB THR A 56 -1.854 0.715 5.460 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.640 1.467 5.313 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.831 1.490 6.335 1.00 0.00 C ATOM 0 H THR A 56 0.148 -0.011 7.109 1.00 0.00 H new ATOM 0 HA THR A 56 -2.481 -1.116 6.389 1.00 0.00 H new ATOM 0 HB THR A 56 -2.311 0.561 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.008 0.944 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.034 2.460 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.762 0.930 6.426 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.397 1.635 7.324 1.00 0.00 H new ATOM 482 N SER A 57 -0.944 -2.841 5.249 1.00 0.00 N ATOM 483 CA SER A 57 -0.406 -3.797 4.303 1.00 0.00 C ATOM 484 C SER A 57 -1.440 -4.109 3.224 1.00 0.00 C ATOM 485 O SER A 57 -1.116 -4.684 2.185 1.00 0.00 O ATOM 486 CB SER A 57 -0.004 -5.071 5.037 1.00 0.00 C ATOM 487 OG SER A 57 0.851 -4.782 6.133 1.00 0.00 O ATOM 0 H SER A 57 -1.354 -3.257 6.085 1.00 0.00 H new ATOM 0 HA SER A 57 0.475 -3.370 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.896 -5.586 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.500 -5.748 4.347 1.00 0.00 H new ATOM 0 HG SER A 57 1.093 -5.616 6.588 1.00 0.00 H new ATOM 493 N ASN A 58 -2.685 -3.738 3.487 1.00 0.00 N ATOM 494 CA ASN A 58 -3.769 -3.985 2.557 1.00 0.00 C ATOM 495 C ASN A 58 -4.708 -2.784 2.516 1.00 0.00 C ATOM 496 O ASN A 58 -4.550 -1.832 3.284 1.00 0.00 O ATOM 497 CB ASN A 58 -4.531 -5.223 3.013 1.00 0.00 C ATOM 498 CG ASN A 58 -5.166 -6.005 1.886 1.00 0.00 C ATOM 499 OD1 ASN A 58 -5.686 -5.451 0.919 1.00 0.00 O ATOM 500 ND2 ASN A 58 -5.089 -7.309 2.008 1.00 0.00 N ATOM 0 H ASN A 58 -2.967 -3.262 4.344 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.366 -4.144 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.849 -5.877 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.308 -4.920 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.471 -7.913 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.647 -7.719 2.831 1.00 0.00 H new ATOM 507 N LEU A 59 -5.693 -2.846 1.641 1.00 0.00 N ATOM 508 CA LEU A 59 -6.664 -1.785 1.500 1.00 0.00 C ATOM 509 C LEU A 59 -7.662 -1.808 2.648 1.00 0.00 C ATOM 510 O LEU A 59 -8.164 -0.766 3.066 1.00 0.00 O ATOM 511 CB LEU A 59 -7.386 -1.926 0.165 1.00 0.00 C ATOM 512 CG LEU A 59 -6.593 -1.461 -1.058 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.421 -1.628 -2.320 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.152 -0.010 -0.896 1.00 0.00 C ATOM 0 H LEU A 59 -5.840 -3.634 1.010 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.143 -0.828 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.657 -2.973 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.316 -1.359 0.212 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.700 -2.081 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.843 -1.293 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.684 -2.678 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.331 -1.033 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.590 0.300 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.030 0.627 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.521 0.082 -0.012 1.00 0.00 H new ATOM 526 N THR A 60 -7.937 -2.999 3.164 1.00 0.00 N ATOM 527 CA THR A 60 -8.847 -3.155 4.290 1.00 0.00 C ATOM 528 C THR A 60 -8.271 -2.497 5.543 1.00 0.00 C ATOM 529 O THR A 60 -8.982 -1.805 6.268 1.00 0.00 O ATOM 530 CB THR A 60 -9.105 -4.643 4.576 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.130 -5.369 3.342 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.427 -4.836 5.309 1.00 0.00 C ATOM 0 H THR A 60 -7.541 -3.873 2.819 1.00 0.00 H new ATOM 0 HA THR A 60 -9.787 -2.670 4.028 1.00 0.00 H new ATOM 0 HB THR A 60 -8.302 -5.018 5.211 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.293 -6.318 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.586 -5.897 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.400 -4.297 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.242 -4.451 4.696 1.00 0.00 H new ATOM 540 N THR A 61 -6.979 -2.703 5.781 1.00 0.00 N ATOM 541 CA THR A 61 -6.308 -2.075 6.910 1.00 0.00 C ATOM 542 C THR A 61 -6.284 -0.559 6.736 1.00 0.00 C ATOM 543 O THR A 61 -6.447 0.191 7.694 1.00 0.00 O ATOM 544 CB THR A 61 -4.875 -2.617 7.076 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.237 -2.718 5.794 1.00 0.00 O ATOM 546 CG2 THR A 61 -4.881 -3.982 7.750 1.00 0.00 C ATOM 0 H THR A 61 -6.380 -3.298 5.209 1.00 0.00 H new ATOM 0 HA THR A 61 -6.868 -2.318 7.813 1.00 0.00 H new ATOM 0 HB THR A 61 -4.322 -1.921 7.707 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.732 -2.182 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.857 -4.341 7.854 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.339 -3.899 8.736 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.452 -4.685 7.143 1.00 0.00 H new ATOM 554 N TYR A 62 -6.106 -0.123 5.494 1.00 0.00 N ATOM 555 CA TYR A 62 -6.169 1.294 5.157 1.00 0.00 C ATOM 556 C TYR A 62 -7.566 1.834 5.447 1.00 0.00 C ATOM 557 O TYR A 62 -7.727 2.898 6.039 1.00 0.00 O ATOM 558 CB TYR A 62 -5.812 1.487 3.680 1.00 0.00 C ATOM 559 CG TYR A 62 -5.977 2.902 3.175 1.00 0.00 C ATOM 560 CD1 TYR A 62 -5.008 3.867 3.416 1.00 0.00 C ATOM 561 CD2 TYR A 62 -7.101 3.265 2.443 1.00 0.00 C ATOM 562 CE1 TYR A 62 -5.156 5.158 2.939 1.00 0.00 C ATOM 563 CE2 TYR A 62 -7.259 4.552 1.967 1.00 0.00 C ATOM 564 CZ TYR A 62 -6.285 5.496 2.216 1.00 0.00 C ATOM 565 OH TYR A 62 -6.434 6.778 1.734 1.00 0.00 O ATOM 0 H TYR A 62 -5.916 -0.734 4.700 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.452 1.845 5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.778 1.178 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.436 0.825 3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.127 3.607 3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.864 2.528 2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.393 5.898 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.141 4.818 1.403 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.282 6.848 1.247 1.00 0.00 H new ATOM 575 N SER A 63 -8.564 1.067 5.040 1.00 0.00 N ATOM 576 CA SER A 63 -9.955 1.407 5.242 1.00 0.00 C ATOM 577 C SER A 63 -10.310 1.505 6.722 1.00 0.00 C ATOM 578 O SER A 63 -10.946 2.469 7.156 1.00 0.00 O ATOM 579 CB SER A 63 -10.797 0.342 4.564 1.00 0.00 C ATOM 580 OG SER A 63 -10.707 0.441 3.151 1.00 0.00 O ATOM 0 H SER A 63 -8.425 0.181 4.555 1.00 0.00 H new ATOM 0 HA SER A 63 -10.151 2.388 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.466 -0.646 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.837 0.445 4.873 1.00 0.00 H new ATOM 0 HG SER A 63 -9.853 0.065 2.850 1.00 0.00 H new ATOM 586 N ALA A 64 -9.888 0.509 7.491 1.00 0.00 N ATOM 587 CA ALA A 64 -10.175 0.462 8.920 1.00 0.00 C ATOM 588 C ALA A 64 -9.507 1.615 9.653 1.00 0.00 C ATOM 589 O ALA A 64 -10.015 2.102 10.659 1.00 0.00 O ATOM 590 CB ALA A 64 -9.729 -0.869 9.507 1.00 0.00 C ATOM 0 H ALA A 64 -9.343 -0.281 7.147 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.253 0.560 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.950 -0.888 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.260 -1.682 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.656 -0.992 9.356 1.00 0.00 H new ATOM 596 N ALA A 65 -8.368 2.054 9.140 1.00 0.00 N ATOM 597 CA ALA A 65 -7.675 3.189 9.720 1.00 0.00 C ATOM 598 C ALA A 65 -8.356 4.483 9.303 1.00 0.00 C ATOM 599 O ALA A 65 -8.600 5.364 10.123 1.00 0.00 O ATOM 600 CB ALA A 65 -6.209 3.195 9.306 1.00 0.00 C ATOM 0 H ALA A 65 -7.908 1.643 8.328 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.717 3.106 10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.708 4.054 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.730 2.278 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.138 3.257 8.220 1.00 0.00 H new ATOM 606 N LEU A 66 -8.694 4.560 8.023 1.00 0.00 N ATOM 607 CA LEU A 66 -9.291 5.744 7.427 1.00 0.00 C ATOM 608 C LEU A 66 -10.587 6.150 8.126 1.00 0.00 C ATOM 609 O LEU A 66 -10.863 7.337 8.281 1.00 0.00 O ATOM 610 CB LEU A 66 -9.553 5.458 5.950 1.00 0.00 C ATOM 611 CG LEU A 66 -9.065 6.519 4.964 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.979 7.730 4.992 1.00 0.00 C ATOM 613 CD2 LEU A 66 -7.630 6.927 5.276 1.00 0.00 C ATOM 0 H LEU A 66 -8.559 3.793 7.364 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.600 6.579 7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.081 4.509 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.626 5.328 5.811 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.088 6.090 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.617 8.476 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.990 7.429 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.988 8.156 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.303 7.683 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.579 7.335 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.980 6.055 5.204 1.00 0.00 H new ATOM 625 N LYS A 67 -11.372 5.171 8.560 1.00 0.00 N ATOM 626 CA LYS A 67 -12.651 5.466 9.193 1.00 0.00 C ATOM 627 C LYS A 67 -12.466 6.058 10.589 1.00 0.00 C ATOM 628 O LYS A 67 -13.380 6.681 11.131 1.00 0.00 O ATOM 629 CB LYS A 67 -13.534 4.215 9.262 1.00 0.00 C ATOM 630 CG LYS A 67 -12.912 3.051 10.017 1.00 0.00 C ATOM 631 CD LYS A 67 -13.908 1.921 10.218 1.00 0.00 C ATOM 632 CE LYS A 67 -14.990 2.303 11.218 1.00 0.00 C ATOM 633 NZ LYS A 67 -16.045 1.262 11.316 1.00 0.00 N ATOM 0 H LYS A 67 -11.149 4.178 8.487 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.150 6.211 8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.479 4.477 9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.766 3.892 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.046 2.681 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.551 3.396 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.367 1.665 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.385 1.031 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.540 2.457 12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.441 3.250 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.763 1.559 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.492 1.132 10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.619 0.364 11.624 1.00 0.00 H new ATOM 647 N THR A 68 -11.286 5.876 11.165 1.00 0.00 N ATOM 648 CA THR A 68 -11.019 6.381 12.505 1.00 0.00 C ATOM 649 C THR A 68 -10.410 7.779 12.445 1.00 0.00 C ATOM 650 O THR A 68 -10.326 8.478 13.456 1.00 0.00 O ATOM 651 CB THR A 68 -10.085 5.446 13.309 1.00 0.00 C ATOM 652 OG1 THR A 68 -8.770 5.418 12.735 1.00 0.00 O ATOM 653 CG2 THR A 68 -10.645 4.034 13.358 1.00 0.00 C ATOM 0 H THR A 68 -10.504 5.387 10.730 1.00 0.00 H new ATOM 0 HA THR A 68 -11.979 6.422 13.020 1.00 0.00 H new ATOM 0 HB THR A 68 -10.021 5.839 14.324 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.839 5.286 11.766 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.971 3.395 13.929 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.624 4.047 13.836 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.742 3.646 12.344 1.00 0.00 H new ATOM 661 N ILE A 69 -9.972 8.181 11.257 1.00 0.00 N ATOM 662 CA ILE A 69 -9.350 9.485 11.080 1.00 0.00 C ATOM 663 C ILE A 69 -10.424 10.556 10.901 1.00 0.00 C ATOM 664 O ILE A 69 -11.478 10.301 10.321 1.00 0.00 O ATOM 665 CB ILE A 69 -8.391 9.502 9.862 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.490 8.262 9.868 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.543 10.766 9.866 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.715 8.064 11.156 1.00 0.00 C ATOM 0 H ILE A 69 -10.037 7.623 10.405 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.764 9.695 11.975 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.994 9.490 8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.104 7.380 9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.785 8.335 9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.876 10.760 9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.192 11.640 9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.952 10.805 10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.103 7.166 11.078 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.072 8.927 11.330 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.412 7.957 11.987 1.00 0.00 H new ATOM 680 N SER A 70 -10.165 11.744 11.421 1.00 0.00 N ATOM 681 CA SER A 70 -11.116 12.842 11.326 1.00 0.00 C ATOM 682 C SER A 70 -10.652 13.861 10.292 1.00 0.00 C ATOM 683 O SER A 70 -9.494 13.842 9.870 1.00 0.00 O ATOM 684 CB SER A 70 -11.264 13.506 12.694 1.00 0.00 C ATOM 685 OG SER A 70 -11.501 12.530 13.697 1.00 0.00 O ATOM 0 H SER A 70 -9.303 11.974 11.915 1.00 0.00 H new ATOM 0 HA SER A 70 -12.083 12.450 11.009 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.361 14.068 12.932 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.087 14.220 12.671 1.00 0.00 H new ATOM 0 HG SER A 70 -11.592 12.971 14.568 1.00 0.00 H new ATOM 691 N VAL A 71 -11.556 14.734 9.872 1.00 0.00 N ATOM 692 CA VAL A 71 -11.197 15.813 8.962 1.00 0.00 C ATOM 693 C VAL A 71 -10.487 16.917 9.738 1.00 0.00 C ATOM 694 O VAL A 71 -11.054 17.492 10.669 1.00 0.00 O ATOM 695 CB VAL A 71 -12.430 16.408 8.248 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.008 17.435 7.204 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.266 15.309 7.612 1.00 0.00 C ATOM 0 H VAL A 71 -12.539 14.717 10.145 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.539 15.395 8.200 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.042 16.914 8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.893 17.841 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.460 18.243 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.369 16.957 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.130 15.750 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.663 14.770 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.606 14.618 8.383 1.00 0.00 H new ATOM 707 N GLY A 72 -9.248 17.198 9.365 1.00 0.00 N ATOM 708 CA GLY A 72 -8.456 18.164 10.101 1.00 0.00 C ATOM 709 C GLY A 72 -7.700 17.499 11.231 1.00 0.00 C ATOM 710 O GLY A 72 -7.323 18.139 12.213 1.00 0.00 O ATOM 0 H GLY A 72 -8.776 16.775 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.753 18.652 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.106 18.942 10.502 1.00 0.00 H new ATOM 714 N GLU A 73 -7.492 16.199 11.086 1.00 0.00 N ATOM 715 CA GLU A 73 -6.786 15.418 12.084 1.00 0.00 C ATOM 716 C GLU A 73 -5.344 15.215 11.646 1.00 0.00 C ATOM 717 O GLU A 73 -5.054 15.144 10.449 1.00 0.00 O ATOM 718 CB GLU A 73 -7.462 14.062 12.274 1.00 0.00 C ATOM 719 CG GLU A 73 -7.045 13.332 13.540 1.00 0.00 C ATOM 720 CD GLU A 73 -7.646 13.946 14.787 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.136 14.987 15.255 1.00 0.00 O ATOM 722 OE2 GLU A 73 -8.631 13.383 15.317 1.00 0.00 O ATOM 0 H GLU A 73 -7.806 15.661 10.278 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.807 15.956 13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.542 14.206 12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.237 13.432 11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.349 12.288 13.470 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.958 13.343 13.621 1.00 0.00 H new ATOM 729 N VAL A 74 -4.449 15.128 12.611 1.00 0.00 N ATOM 730 CA VAL A 74 -3.045 14.891 12.325 1.00 0.00 C ATOM 731 C VAL A 74 -2.695 13.442 12.651 1.00 0.00 C ATOM 732 O VAL A 74 -2.980 12.962 13.751 1.00 0.00 O ATOM 733 CB VAL A 74 -2.125 15.841 13.127 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.660 15.613 12.772 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.511 17.292 12.887 1.00 0.00 C ATOM 0 H VAL A 74 -4.669 15.218 13.603 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.882 15.087 11.265 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.256 15.619 14.186 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.035 16.294 13.350 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.385 14.584 13.003 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.510 15.798 11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.852 17.944 13.460 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.416 17.523 11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.542 17.451 13.202 1.00 0.00 H new ATOM 745 N ILE A 75 -2.091 12.753 11.694 1.00 0.00 N ATOM 746 CA ILE A 75 -1.766 11.344 11.849 1.00 0.00 C ATOM 747 C ILE A 75 -0.288 11.070 11.595 1.00 0.00 C ATOM 748 O ILE A 75 0.415 11.870 10.974 1.00 0.00 O ATOM 749 CB ILE A 75 -2.614 10.460 10.912 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.566 10.993 9.478 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.046 10.385 11.422 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.350 10.157 8.489 1.00 0.00 C ATOM 0 H ILE A 75 -1.815 13.151 10.796 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.996 11.090 12.884 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.198 9.452 10.905 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.953 12.012 9.466 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.527 11.043 9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.638 9.759 10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.053 9.955 12.424 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.474 11.387 11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.269 10.597 7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.949 9.144 8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.398 10.127 8.788 1.00 0.00 H new ATOM 764 N ASN A 76 0.164 9.927 12.080 1.00 0.00 N ATOM 765 CA ASN A 76 1.553 9.518 11.945 1.00 0.00 C ATOM 766 C ASN A 76 1.677 8.395 10.916 1.00 0.00 C ATOM 767 O ASN A 76 1.307 7.253 11.184 1.00 0.00 O ATOM 768 CB ASN A 76 2.086 9.065 13.306 1.00 0.00 C ATOM 769 CG ASN A 76 3.502 8.527 13.244 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.468 9.278 13.341 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.629 7.217 13.106 1.00 0.00 N ATOM 0 H ASN A 76 -0.420 9.256 12.578 1.00 0.00 H new ATOM 0 HA ASN A 76 2.146 10.364 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.054 9.905 14.000 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.429 8.294 13.708 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.557 6.795 13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.799 6.629 13.029 1.00 0.00 H new ATOM 778 N ILE A 77 2.194 8.734 9.746 1.00 0.00 N ATOM 779 CA ILE A 77 2.322 7.787 8.642 1.00 0.00 C ATOM 780 C ILE A 77 3.780 7.414 8.427 1.00 0.00 C ATOM 781 O ILE A 77 4.610 8.246 8.061 1.00 0.00 O ATOM 782 CB ILE A 77 1.736 8.373 7.338 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.254 8.720 7.533 1.00 0.00 C ATOM 784 CG2 ILE A 77 1.918 7.398 6.182 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.383 9.380 6.329 1.00 0.00 C ATOM 0 H ILE A 77 2.537 9.670 9.532 1.00 0.00 H new ATOM 0 HA ILE A 77 1.759 6.891 8.904 1.00 0.00 H new ATOM 0 HB ILE A 77 2.275 9.288 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.295 7.808 7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.156 9.382 8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.499 7.829 5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.980 7.203 6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.405 6.463 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.430 9.595 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.140 10.310 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.318 8.711 5.471 1.00 0.00 H new ATOM 797 N THR A 78 4.088 6.161 8.677 1.00 0.00 N ATOM 798 CA THR A 78 5.437 5.669 8.525 1.00 0.00 C ATOM 799 C THR A 78 5.596 5.039 7.148 1.00 0.00 C ATOM 800 O THR A 78 4.866 4.114 6.795 1.00 0.00 O ATOM 801 CB THR A 78 5.753 4.642 9.625 1.00 0.00 C ATOM 802 OG1 THR A 78 5.325 5.167 10.890 1.00 0.00 O ATOM 803 CG2 THR A 78 7.240 4.337 9.679 1.00 0.00 C ATOM 0 H THR A 78 3.416 5.460 8.989 1.00 0.00 H new ATOM 0 HA THR A 78 6.137 6.499 8.619 1.00 0.00 H new ATOM 0 HB THR A 78 5.224 3.716 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.521 4.517 11.597 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.434 3.608 10.466 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.563 3.931 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.792 5.253 9.889 1.00 0.00 H new ATOM 811 N THR A 79 6.516 5.569 6.358 1.00 0.00 N ATOM 812 CA THR A 79 6.744 5.068 5.012 1.00 0.00 C ATOM 813 C THR A 79 8.109 4.410 4.913 1.00 0.00 C ATOM 814 O THR A 79 8.890 4.446 5.861 1.00 0.00 O ATOM 815 CB THR A 79 6.657 6.195 3.963 1.00 0.00 C ATOM 816 OG1 THR A 79 7.564 7.253 4.296 1.00 0.00 O ATOM 817 CG2 THR A 79 5.243 6.744 3.867 1.00 0.00 C ATOM 0 H THR A 79 7.118 6.347 6.626 1.00 0.00 H new ATOM 0 HA THR A 79 5.963 4.336 4.807 1.00 0.00 H new ATOM 0 HB THR A 79 6.931 5.775 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.944 7.091 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.211 7.537 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.561 5.944 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.942 7.145 4.835 1.00 0.00 H new ATOM 825 N ASP A 80 8.398 3.833 3.754 1.00 0.00 N ATOM 826 CA ASP A 80 9.680 3.175 3.511 1.00 0.00 C ATOM 827 C ASP A 80 10.843 4.156 3.687 1.00 0.00 C ATOM 828 O ASP A 80 11.947 3.767 4.052 1.00 0.00 O ATOM 829 CB ASP A 80 9.701 2.586 2.095 1.00 0.00 C ATOM 830 CG ASP A 80 10.872 1.651 1.862 1.00 0.00 C ATOM 831 OD1 ASP A 80 10.727 0.441 2.138 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.935 2.112 1.392 1.00 0.00 O ATOM 0 H ASP A 80 7.758 3.806 2.960 1.00 0.00 H new ATOM 0 HA ASP A 80 9.798 2.373 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.771 2.046 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.741 3.399 1.370 1.00 0.00 H new ATOM 837 N GLN A 81 10.574 5.438 3.441 1.00 0.00 N ATOM 838 CA GLN A 81 11.605 6.474 3.519 1.00 0.00 C ATOM 839 C GLN A 81 11.571 7.210 4.853 1.00 0.00 C ATOM 840 O GLN A 81 12.142 8.296 4.990 1.00 0.00 O ATOM 841 CB GLN A 81 11.452 7.471 2.365 1.00 0.00 C ATOM 842 CG GLN A 81 12.187 7.067 1.094 1.00 0.00 C ATOM 843 CD GLN A 81 11.884 5.648 0.666 1.00 0.00 C ATOM 844 OE1 GLN A 81 10.945 5.397 -0.091 1.00 0.00 O ATOM 845 NE2 GLN A 81 12.689 4.712 1.138 1.00 0.00 N ATOM 0 H GLN A 81 9.649 5.785 3.186 1.00 0.00 H new ATOM 0 HA GLN A 81 12.571 5.976 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.392 7.588 2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.818 8.445 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.914 7.750 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.260 7.173 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.455 4.965 1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.545 3.736 0.878 1.00 0.00 H new ATOM 854 N GLY A 82 10.908 6.624 5.834 1.00 0.00 N ATOM 855 CA GLY A 82 10.914 7.194 7.165 1.00 0.00 C ATOM 856 C GLY A 82 9.531 7.520 7.687 1.00 0.00 C ATOM 857 O GLY A 82 8.530 7.346 6.988 1.00 0.00 O ATOM 0 H GLY A 82 10.366 5.765 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.397 6.496 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.516 8.103 7.160 1.00 0.00 H new ATOM 861 N THR A 83 9.486 8.000 8.920 1.00 0.00 N ATOM 862 CA THR A 83 8.241 8.338 9.582 1.00 0.00 C ATOM 863 C THR A 83 7.867 9.794 9.321 1.00 0.00 C ATOM 864 O THR A 83 8.615 10.710 9.674 1.00 0.00 O ATOM 865 CB THR A 83 8.372 8.117 11.099 1.00 0.00 C ATOM 866 OG1 THR A 83 9.085 6.899 11.350 1.00 0.00 O ATOM 867 CG2 THR A 83 7.005 8.050 11.760 1.00 0.00 C ATOM 0 H THR A 83 10.316 8.166 9.489 1.00 0.00 H new ATOM 0 HA THR A 83 7.460 7.692 9.181 1.00 0.00 H new ATOM 0 HB THR A 83 8.919 8.960 11.521 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.168 6.762 12.317 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.126 7.893 12.832 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.472 8.985 11.588 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.435 7.224 11.335 1.00 0.00 H new ATOM 875 N PHE A 84 6.719 10.010 8.704 1.00 0.00 N ATOM 876 CA PHE A 84 6.250 11.357 8.435 1.00 0.00 C ATOM 877 C PHE A 84 4.955 11.629 9.179 1.00 0.00 C ATOM 878 O PHE A 84 4.230 10.708 9.552 1.00 0.00 O ATOM 879 CB PHE A 84 6.042 11.583 6.936 1.00 0.00 C ATOM 880 CG PHE A 84 7.302 11.457 6.125 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.219 12.496 6.087 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.567 10.307 5.403 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.378 12.389 5.342 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.724 10.195 4.657 1.00 0.00 C ATOM 885 CZ PHE A 84 9.631 11.237 4.626 1.00 0.00 C ATOM 0 H PHE A 84 6.095 9.271 8.380 1.00 0.00 H new ATOM 0 HA PHE A 84 7.016 12.049 8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.310 10.865 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.619 12.576 6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.025 13.400 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.862 9.489 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.084 13.206 5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.920 9.292 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.536 11.150 4.043 1.00 0.00 H new ATOM 895 N HIS A 85 4.682 12.897 9.401 1.00 0.00 N ATOM 896 CA HIS A 85 3.451 13.315 10.038 1.00 0.00 C ATOM 897 C HIS A 85 2.593 14.052 9.030 1.00 0.00 C ATOM 898 O HIS A 85 3.067 14.956 8.345 1.00 0.00 O ATOM 899 CB HIS A 85 3.729 14.189 11.269 1.00 0.00 C ATOM 900 CG HIS A 85 4.583 15.398 11.006 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.959 15.350 10.947 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.247 16.694 10.793 1.00 0.00 C ATOM 903 CE1 HIS A 85 6.430 16.561 10.711 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.413 17.394 10.610 1.00 0.00 N ATOM 0 H HIS A 85 5.304 13.664 9.146 1.00 0.00 H new ATOM 0 HA HIS A 85 2.916 12.432 10.387 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.777 14.518 11.686 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.215 13.577 12.029 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.247 17.100 10.771 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.473 16.825 10.617 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.482 18.395 10.426 1.00 0.00 H new ATOM 913 N LEU A 86 1.343 13.659 8.932 1.00 0.00 N ATOM 914 CA LEU A 86 0.466 14.198 7.909 1.00 0.00 C ATOM 915 C LEU A 86 -0.805 14.735 8.537 1.00 0.00 C ATOM 916 O LEU A 86 -1.254 14.246 9.570 1.00 0.00 O ATOM 917 CB LEU A 86 0.148 13.113 6.872 1.00 0.00 C ATOM 918 CG LEU A 86 -0.603 13.583 5.619 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.093 12.845 4.393 1.00 0.00 C ATOM 920 CD2 LEU A 86 -2.101 13.358 5.773 1.00 0.00 C ATOM 0 H LEU A 86 0.908 12.970 9.545 1.00 0.00 H new ATOM 0 HA LEU A 86 0.969 15.023 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.084 12.651 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.444 12.337 7.357 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.423 14.651 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.634 13.188 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.971 13.043 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.250 11.774 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.614 13.698 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.296 12.296 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.467 13.919 6.633 1.00 0.00 H new ATOM 932 N LYS A 87 -1.371 15.744 7.910 1.00 0.00 N ATOM 933 CA LYS A 87 -2.593 16.358 8.390 1.00 0.00 C ATOM 934 C LYS A 87 -3.633 16.341 7.282 1.00 0.00 C ATOM 935 O LYS A 87 -3.385 16.832 6.179 1.00 0.00 O ATOM 936 CB LYS A 87 -2.305 17.785 8.876 1.00 0.00 C ATOM 937 CG LYS A 87 -3.536 18.564 9.325 1.00 0.00 C ATOM 938 CD LYS A 87 -4.118 19.395 8.190 1.00 0.00 C ATOM 939 CE LYS A 87 -5.210 20.331 8.682 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.721 21.230 9.759 1.00 0.00 N ATOM 0 H LYS A 87 -1.000 16.161 7.056 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.987 15.795 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.600 17.737 9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.816 18.336 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.292 17.870 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.271 19.217 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.324 19.976 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.523 18.733 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.579 20.929 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.052 19.745 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.359 22.046 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.697 20.711 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.764 21.563 9.526 1.00 0.00 H new ATOM 954 N THR A 88 -4.783 15.761 7.573 1.00 0.00 N ATOM 955 CA THR A 88 -5.838 15.637 6.577 1.00 0.00 C ATOM 956 C THR A 88 -6.521 16.978 6.351 1.00 0.00 C ATOM 957 O THR A 88 -6.955 17.628 7.305 1.00 0.00 O ATOM 958 CB THR A 88 -6.889 14.592 6.989 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.472 14.932 8.258 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.266 13.208 7.071 1.00 0.00 C ATOM 0 H THR A 88 -5.012 15.369 8.486 1.00 0.00 H new ATOM 0 HA THR A 88 -5.368 15.306 5.651 1.00 0.00 H new ATOM 0 HB THR A 88 -7.670 14.586 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.173 14.284 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.026 12.484 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.859 12.934 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.465 13.213 7.810 1.00 0.00 H new ATOM 968 N GLY A 89 -6.618 17.399 5.098 1.00 0.00 N ATOM 969 CA GLY A 89 -7.208 18.689 4.823 1.00 0.00 C ATOM 970 C GLY A 89 -7.698 18.863 3.405 1.00 0.00 C ATOM 971 O GLY A 89 -6.913 19.062 2.486 1.00 0.00 O ATOM 0 H GLY A 89 -6.303 16.878 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.044 18.845 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.473 19.464 5.038 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.424 12.670 5.593 1.00 0.00 N ATOM 1102 CA ALA A 98 -9.973 12.685 5.796 1.00 0.00 C ATOM 1103 C ALA A 98 -9.214 12.696 4.468 1.00 0.00 C ATOM 1104 O ALA A 98 -8.819 11.655 3.948 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.540 11.505 6.660 1.00 0.00 C ATOM 0 HA ALA A 98 -9.723 13.608 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.459 11.533 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.033 11.564 7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.818 10.573 6.168 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.027 13.882 3.911 1.00 0.00 N ATOM 1112 CA TYR A 99 -8.356 14.013 2.629 1.00 0.00 C ATOM 1113 C TYR A 99 -6.855 14.158 2.827 1.00 0.00 C ATOM 1114 O TYR A 99 -6.386 15.185 3.318 1.00 0.00 O ATOM 1115 CB TYR A 99 -8.908 15.220 1.878 1.00 0.00 C ATOM 1116 CG TYR A 99 -10.419 15.293 1.882 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -11.180 14.494 1.037 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -11.084 16.164 2.736 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -12.559 14.566 1.042 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -12.460 16.242 2.747 1.00 0.00 C ATOM 1121 CZ TYR A 99 -13.195 15.442 1.901 1.00 0.00 C ATOM 1122 OH TYR A 99 -14.567 15.520 1.913 1.00 0.00 O ATOM 0 H TYR A 99 -9.329 14.764 4.325 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.540 13.113 2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.507 16.130 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.556 15.188 0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.686 13.807 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.512 16.792 3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.138 13.941 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.959 16.927 3.416 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.851 16.184 2.575 1.00 0.00 H new ATOM 1132 N MET A 100 -6.110 13.124 2.460 1.00 0.00 N ATOM 1133 CA MET A 100 -4.660 13.136 2.628 1.00 0.00 C ATOM 1134 C MET A 100 -3.970 13.789 1.439 1.00 0.00 C ATOM 1135 O MET A 100 -2.953 14.457 1.600 1.00 0.00 O ATOM 1136 CB MET A 100 -4.118 11.720 2.835 1.00 0.00 C ATOM 1137 CG MET A 100 -4.603 11.063 4.116 1.00 0.00 C ATOM 1138 SD MET A 100 -3.736 9.524 4.474 1.00 0.00 S ATOM 1139 CE MET A 100 -4.052 8.600 2.971 1.00 0.00 C ATOM 0 H MET A 100 -6.482 12.269 2.046 1.00 0.00 H new ATOM 0 HA MET A 100 -4.443 13.726 3.518 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.409 11.101 1.986 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.029 11.755 2.845 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.469 11.754 4.948 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.672 10.864 4.036 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.686 7.580 3.087 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.124 8.581 2.774 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.538 9.076 2.136 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.519 13.590 0.248 1.00 0.00 N ATOM 1150 CA GLY A 101 -3.972 14.238 -0.930 1.00 0.00 C ATOM 1151 C GLY A 101 -3.381 13.276 -1.935 1.00 0.00 C ATOM 1152 O GLY A 101 -3.111 13.649 -3.075 1.00 0.00 O ATOM 0 H GLY A 101 -5.329 12.995 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.759 14.816 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.202 14.944 -0.620 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.173 12.040 -1.528 1.00 0.00 N ATOM 1157 CA ILE A 102 -2.613 11.044 -2.424 1.00 0.00 C ATOM 1158 C ILE A 102 -3.578 9.882 -2.595 1.00 0.00 C ATOM 1159 O ILE A 102 -4.366 9.579 -1.695 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.225 10.547 -1.931 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -1.307 9.878 -0.552 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.246 11.708 -1.875 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.575 8.388 -0.600 1.00 0.00 C ATOM 0 H ILE A 102 -3.381 11.701 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.462 11.515 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.877 9.800 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.371 10.051 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.095 10.359 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.723 11.350 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.139 12.142 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.620 12.466 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.618 7.993 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.526 8.205 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.775 7.892 -1.149 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.542 9.260 -3.760 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.357 8.087 -4.017 1.00 0.00 C ATOM 1177 C ARG A 103 -3.594 6.839 -3.600 1.00 0.00 C ATOM 1178 O ARG A 103 -2.399 6.717 -3.865 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.743 8.013 -5.499 1.00 0.00 C ATOM 1180 CG ARG A 103 -6.247 8.021 -5.740 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.927 6.803 -5.129 1.00 0.00 C ATOM 1182 NE ARG A 103 -8.375 6.821 -5.327 1.00 0.00 N ATOM 1183 CZ ARG A 103 -9.209 5.895 -4.849 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -8.737 4.851 -4.170 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -10.516 6.018 -5.046 1.00 0.00 N ATOM 0 H ARG A 103 -2.956 9.548 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.275 8.155 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.295 8.856 -6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.319 7.106 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.678 8.928 -5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.443 8.046 -6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.513 5.897 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.708 6.764 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.774 7.590 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.734 4.756 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.379 4.146 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.881 6.819 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.155 5.312 -4.682 1.00 0.00 H new ATOM 1199 N THR A 104 -4.283 5.924 -2.947 1.00 0.00 N ATOM 1200 CA THR A 104 -3.661 4.715 -2.449 1.00 0.00 C ATOM 1201 C THR A 104 -4.114 3.494 -3.238 1.00 0.00 C ATOM 1202 O THR A 104 -5.255 3.429 -3.704 1.00 0.00 O ATOM 1203 CB THR A 104 -4.003 4.513 -0.966 1.00 0.00 C ATOM 1204 OG1 THR A 104 -5.328 5.006 -0.709 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.998 5.223 -0.072 1.00 0.00 C ATOM 0 H THR A 104 -5.281 5.997 -2.748 1.00 0.00 H new ATOM 0 HA THR A 104 -2.583 4.827 -2.567 1.00 0.00 H new ATOM 0 HB THR A 104 -3.959 3.447 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.480 5.048 0.258 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.264 5.063 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.001 4.824 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.008 6.291 -0.290 1.00 0.00 H new ATOM 1213 N SER A 105 -3.205 2.550 -3.401 1.00 0.00 N ATOM 1214 CA SER A 105 -3.506 1.293 -4.060 1.00 0.00 C ATOM 1215 C SER A 105 -2.861 0.150 -3.295 1.00 0.00 C ATOM 1216 O SER A 105 -2.036 0.378 -2.417 1.00 0.00 O ATOM 1217 CB SER A 105 -3.009 1.317 -5.510 1.00 0.00 C ATOM 1218 OG SER A 105 -1.642 1.690 -5.584 1.00 0.00 O ATOM 0 H SER A 105 -2.240 2.633 -3.081 1.00 0.00 H new ATOM 0 HA SER A 105 -4.586 1.147 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.144 0.333 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.610 2.017 -6.091 1.00 0.00 H new ATOM 0 HG SER A 105 -1.443 2.344 -4.882 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.239 -1.068 -3.630 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.722 -2.246 -2.951 1.00 0.00 C ATOM 1226 C ASN A 106 -1.385 -2.653 -3.549 1.00 0.00 C ATOM 1227 O ASN A 106 -0.483 -3.085 -2.835 1.00 0.00 O ATOM 1228 CB ASN A 106 -3.732 -3.389 -3.051 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.165 -3.891 -1.687 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.994 -3.210 -0.679 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.771 -5.065 -1.648 1.00 0.00 N ATOM 0 H ASN A 106 -3.907 -1.271 -4.373 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.567 -2.012 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.607 -3.051 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.293 -4.211 -3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.114 -5.433 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.896 -5.603 -2.505 1.00 0.00 H new