USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 518 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 Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -0.033 (180deg=-0.247) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-5.1!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 102 HIS : no HD1:sc= -3.42 K(o=-3.4,f=-4.5!) USER MOD Single : A 105 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.107! C(o=0.11!,f=-6.2!) USER MOD Single : A 108 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.15) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -17:sc= 0.97 USER MOD Single : A 114 LYS NZ :NH3+ -142:sc= 1.11 (180deg=0.000246) USER MOD Single : A 115 SER OG : rot 171:sc=0.000637 USER MOD Single : A 117 SER OG : rot -44:sc= 0.191 USER MOD Single : A 120 TYR OH : rot 30:sc= -0.0967 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 153:sc= -0.879 (180deg=-2.71!) USER MOD Single : A 127 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 130 THR OG1 : rot -7:sc= 1.01 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 70:sc= 0.682 USER MOD Single : A 138 ASN : amide:sc= -0.0936 K(o=-0.094,f=-1.1) USER MOD Single : A 143 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 12.338 4.099 -4.839 1.00 0.00 N ATOM 2 CA GLY A 75 12.815 4.052 -3.444 1.00 0.00 C ATOM 3 C GLY A 75 11.669 3.944 -2.457 1.00 0.00 C ATOM 4 O GLY A 75 10.537 4.310 -2.780 1.00 0.00 O ATOM 0 HA2 GLY A 75 13.484 3.201 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.396 4.949 -3.229 1.00 0.00 H new ATOM 10 N PRO A 76 11.938 3.466 -1.225 1.00 0.00 N ATOM 11 CA PRO A 76 10.907 3.287 -0.184 1.00 0.00 C ATOM 12 C PRO A 76 10.497 4.610 0.468 1.00 0.00 C ATOM 13 O PRO A 76 10.153 4.658 1.649 1.00 0.00 O ATOM 14 CB PRO A 76 11.611 2.388 0.833 1.00 0.00 C ATOM 15 CG PRO A 76 13.050 2.740 0.706 1.00 0.00 C ATOM 16 CD PRO A 76 13.276 3.061 -0.746 1.00 0.00 C ATOM 0 HA PRO A 76 9.981 2.874 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.245 2.570 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.440 1.334 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.299 3.593 1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.683 1.912 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.006 3.861 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.653 2.197 -1.293 1.00 0.00 H new ATOM 24 N LEU A 77 10.491 5.664 -0.322 1.00 0.00 N ATOM 25 CA LEU A 77 10.158 7.006 0.148 1.00 0.00 C ATOM 26 C LEU A 77 8.656 7.236 0.046 1.00 0.00 C ATOM 27 O LEU A 77 8.199 8.347 -0.223 1.00 0.00 O ATOM 28 CB LEU A 77 10.892 8.029 -0.715 1.00 0.00 C ATOM 29 CG LEU A 77 12.361 7.719 -1.000 1.00 0.00 C ATOM 30 CD1 LEU A 77 12.958 8.764 -1.919 1.00 0.00 C ATOM 31 CD2 LEU A 77 13.153 7.620 0.292 1.00 0.00 C ATOM 0 H LEU A 77 10.718 5.620 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 77 10.461 7.113 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.367 8.119 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.833 9.001 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 77 12.414 6.753 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.004 8.526 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.411 8.775 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.889 9.745 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.196 7.399 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.092 8.566 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.740 6.824 0.912 1.00 0.00 H new ATOM 43 N GLY A 78 7.897 6.176 0.263 1.00 0.00 N ATOM 44 CA GLY A 78 6.456 6.245 0.131 1.00 0.00 C ATOM 45 C GLY A 78 6.027 5.973 -1.293 1.00 0.00 C ATOM 46 O GLY A 78 4.891 5.577 -1.547 1.00 0.00 O ATOM 0 H GLY A 78 8.256 5.260 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.991 5.520 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.106 7.231 0.438 1.00 0.00 H new ATOM 50 N SER A 79 6.950 6.189 -2.217 1.00 0.00 N ATOM 51 CA SER A 79 6.707 5.974 -3.623 1.00 0.00 C ATOM 52 C SER A 79 6.682 4.486 -3.959 1.00 0.00 C ATOM 53 O SER A 79 5.752 4.013 -4.606 1.00 0.00 O ATOM 54 CB SER A 79 7.778 6.684 -4.440 1.00 0.00 C ATOM 55 OG SER A 79 7.898 8.041 -4.033 1.00 0.00 O ATOM 0 H SER A 79 7.891 6.520 -2.005 1.00 0.00 H new ATOM 0 HA SER A 79 5.729 6.386 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.734 6.175 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.526 6.637 -5.499 1.00 0.00 H new ATOM 0 HG SER A 79 8.591 8.482 -4.567 1.00 0.00 H new ATOM 61 N ASP A 80 7.696 3.743 -3.509 1.00 0.00 N ATOM 62 CA ASP A 80 7.775 2.312 -3.791 1.00 0.00 C ATOM 63 C ASP A 80 8.251 1.557 -2.564 1.00 0.00 C ATOM 64 O ASP A 80 9.418 1.642 -2.188 1.00 0.00 O ATOM 65 CB ASP A 80 8.733 2.044 -4.959 1.00 0.00 C ATOM 66 CG ASP A 80 8.952 0.560 -5.231 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.079 -0.073 -5.839 1.00 0.00 O ATOM 68 OD2 ASP A 80 10.027 0.030 -4.865 1.00 0.00 O ATOM 0 H ASP A 80 8.468 4.108 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 80 6.778 1.965 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.339 2.517 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.694 2.513 -4.747 1.00 0.00 H new ATOM 73 N LEU A 81 7.357 0.850 -1.925 1.00 0.00 N ATOM 74 CA LEU A 81 7.720 0.065 -0.764 1.00 0.00 C ATOM 75 C LEU A 81 7.684 -1.405 -1.107 1.00 0.00 C ATOM 76 O LEU A 81 6.724 -1.882 -1.698 1.00 0.00 O ATOM 77 CB LEU A 81 6.782 0.343 0.416 1.00 0.00 C ATOM 78 CG LEU A 81 7.114 -0.431 1.702 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.456 0.009 2.269 1.00 0.00 C ATOM 80 CD2 LEU A 81 6.013 -0.271 2.735 1.00 0.00 C ATOM 0 H LEU A 81 6.372 0.798 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 81 8.730 0.350 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.804 1.410 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.763 0.100 0.116 1.00 0.00 H new ATOM 0 HG LEU A 81 7.184 -1.488 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.669 -0.553 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.240 -0.178 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.422 1.074 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.274 -0.829 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.897 0.784 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.076 -0.653 2.330 1.00 0.00 H new ATOM 92 N ILE A 82 8.724 -2.123 -0.754 1.00 0.00 N ATOM 93 CA ILE A 82 8.760 -3.536 -1.026 1.00 0.00 C ATOM 94 C ILE A 82 8.202 -4.299 0.162 1.00 0.00 C ATOM 95 O ILE A 82 8.477 -3.957 1.313 1.00 0.00 O ATOM 96 CB ILE A 82 10.183 -4.040 -1.336 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.886 -3.102 -2.309 1.00 0.00 C ATOM 98 CG2 ILE A 82 10.115 -5.433 -1.925 1.00 0.00 C ATOM 99 CD1 ILE A 82 12.270 -3.567 -2.709 1.00 0.00 C ATOM 0 H ILE A 82 9.549 -1.754 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 82 8.150 -3.711 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 82 10.753 -4.065 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.274 -2.997 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.961 -2.113 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.123 -5.786 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.641 -6.107 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.532 -5.411 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.709 -2.850 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.898 -3.645 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.201 -4.542 -3.191 1.00 0.00 H new ATOM 111 N VAL A 83 7.435 -5.331 -0.120 1.00 0.00 N ATOM 112 CA VAL A 83 6.789 -6.123 0.907 1.00 0.00 C ATOM 113 C VAL A 83 6.921 -7.601 0.578 1.00 0.00 C ATOM 114 O VAL A 83 7.434 -7.962 -0.482 1.00 0.00 O ATOM 115 CB VAL A 83 5.289 -5.771 1.029 1.00 0.00 C ATOM 116 CG1 VAL A 83 5.100 -4.344 1.527 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.587 -5.969 -0.305 1.00 0.00 C ATOM 0 H VAL A 83 7.241 -5.646 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 83 7.279 -5.901 1.855 1.00 0.00 H new ATOM 0 HB VAL A 83 4.842 -6.444 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.035 -4.123 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.564 -4.236 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.565 -3.650 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.532 -5.717 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.043 -5.323 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.683 -7.009 -0.616 1.00 0.00 H new ATOM 127 N HIS A 84 6.466 -8.450 1.476 1.00 0.00 N ATOM 128 CA HIS A 84 6.539 -9.886 1.263 1.00 0.00 C ATOM 129 C HIS A 84 5.157 -10.499 1.141 1.00 0.00 C ATOM 130 O HIS A 84 4.356 -10.452 2.074 1.00 0.00 O ATOM 131 CB HIS A 84 7.333 -10.580 2.379 1.00 0.00 C ATOM 132 CG HIS A 84 8.802 -10.272 2.363 1.00 0.00 C ATOM 133 ND1 HIS A 84 9.780 -11.243 2.329 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.459 -9.089 2.386 1.00 0.00 C ATOM 135 CE1 HIS A 84 10.967 -10.668 2.332 1.00 0.00 C ATOM 136 NE2 HIS A 84 10.799 -9.363 2.366 1.00 0.00 N ATOM 0 H HIS A 84 6.041 -8.174 2.361 1.00 0.00 H new ATOM 0 HA HIS A 84 7.066 -10.042 0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.920 -10.284 3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.197 -11.658 2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.008 -8.108 2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.917 -11.182 2.310 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.546 -8.669 2.376 1.00 0.00 H new ATOM 145 N GLU A 85 4.891 -11.060 -0.014 1.00 0.00 N ATOM 146 CA GLU A 85 3.640 -11.746 -0.286 1.00 0.00 C ATOM 147 C GLU A 85 3.941 -13.214 -0.521 1.00 0.00 C ATOM 148 O GLU A 85 4.474 -13.584 -1.575 1.00 0.00 O ATOM 149 CB GLU A 85 2.963 -11.163 -1.530 1.00 0.00 C ATOM 150 CG GLU A 85 2.629 -9.686 -1.435 1.00 0.00 C ATOM 151 CD GLU A 85 1.471 -9.400 -0.512 1.00 0.00 C ATOM 152 OE1 GLU A 85 0.308 -9.424 -0.987 1.00 0.00 O ATOM 153 OE2 GLU A 85 1.708 -9.111 0.677 1.00 0.00 O ATOM 0 H GLU A 85 5.539 -11.056 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 85 2.968 -11.621 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.615 -11.320 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.045 -11.718 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.507 -9.143 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.395 -9.308 -2.430 1.00 0.00 H new ATOM 160 N GLY A 86 3.642 -14.044 0.460 1.00 0.00 N ATOM 161 CA GLY A 86 3.937 -15.455 0.340 1.00 0.00 C ATOM 162 C GLY A 86 5.431 -15.704 0.254 1.00 0.00 C ATOM 163 O GLY A 86 5.885 -16.614 -0.446 1.00 0.00 O ATOM 0 H GLY A 86 3.201 -13.769 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.527 -15.988 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.448 -15.856 -0.548 1.00 0.00 H new ATOM 167 N GLY A 87 6.189 -14.876 0.953 1.00 0.00 N ATOM 168 CA GLY A 87 7.634 -14.985 0.945 1.00 0.00 C ATOM 169 C GLY A 87 8.284 -14.193 -0.179 1.00 0.00 C ATOM 170 O GLY A 87 9.431 -13.762 -0.057 1.00 0.00 O ATOM 0 H GLY A 87 5.825 -14.120 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.024 -14.636 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.913 -16.034 0.851 1.00 0.00 H new ATOM 174 N LYS A 88 7.550 -13.991 -1.266 1.00 0.00 N ATOM 175 CA LYS A 88 8.077 -13.276 -2.425 1.00 0.00 C ATOM 176 C LYS A 88 7.980 -11.775 -2.233 1.00 0.00 C ATOM 177 O LYS A 88 7.058 -11.282 -1.593 1.00 0.00 O ATOM 178 CB LYS A 88 7.333 -13.692 -3.694 1.00 0.00 C ATOM 179 CG LYS A 88 7.589 -15.127 -4.116 1.00 0.00 C ATOM 180 CD LYS A 88 9.047 -15.340 -4.496 1.00 0.00 C ATOM 181 CE LYS A 88 9.293 -16.752 -4.997 1.00 0.00 C ATOM 182 NZ LYS A 88 8.503 -17.063 -6.216 1.00 0.00 N ATOM 0 H LYS A 88 6.587 -14.312 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 88 9.130 -13.539 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.263 -13.555 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.623 -13.027 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.321 -15.801 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.950 -15.379 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.331 -14.625 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.681 -15.144 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.354 -16.879 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.039 -17.463 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.881 -17.922 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.508 -17.218 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.566 -16.267 -6.883 1.00 0.00 H new ATOM 196 N THR A 89 8.931 -11.057 -2.774 1.00 0.00 N ATOM 197 CA THR A 89 8.951 -9.626 -2.657 1.00 0.00 C ATOM 198 C THR A 89 8.107 -8.953 -3.723 1.00 0.00 C ATOM 199 O THR A 89 8.313 -9.152 -4.920 1.00 0.00 O ATOM 200 CB THR A 89 10.379 -9.092 -2.735 1.00 0.00 C ATOM 201 OG1 THR A 89 11.260 -10.133 -3.197 1.00 0.00 O ATOM 202 CG2 THR A 89 10.833 -8.588 -1.380 1.00 0.00 C ATOM 0 H THR A 89 9.709 -11.448 -3.305 1.00 0.00 H new ATOM 0 HA THR A 89 8.525 -9.389 -1.682 1.00 0.00 H new ATOM 0 HB THR A 89 10.406 -8.259 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.176 -9.788 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.853 -8.211 -1.455 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.173 -7.785 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.800 -9.404 -0.658 1.00 0.00 H new ATOM 210 N TYR A 90 7.152 -8.173 -3.281 1.00 0.00 N ATOM 211 CA TYR A 90 6.308 -7.408 -4.165 1.00 0.00 C ATOM 212 C TYR A 90 6.516 -5.937 -3.902 1.00 0.00 C ATOM 213 O TYR A 90 6.825 -5.543 -2.783 1.00 0.00 O ATOM 214 CB TYR A 90 4.834 -7.760 -3.961 1.00 0.00 C ATOM 215 CG TYR A 90 4.390 -9.031 -4.648 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.863 -10.268 -4.241 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.484 -8.988 -5.700 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.444 -11.426 -4.858 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.063 -10.142 -6.325 1.00 0.00 C ATOM 220 CZ TYR A 90 3.543 -11.358 -5.900 1.00 0.00 C ATOM 221 OH TYR A 90 3.116 -12.511 -6.516 1.00 0.00 O ATOM 0 H TYR A 90 6.937 -8.050 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 90 6.577 -7.647 -5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.641 -7.854 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.223 -6.934 -4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.571 -10.325 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.103 -8.034 -6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.819 -12.383 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.360 -10.091 -7.144 1.00 0.00 H new ATOM 0 HH TYR A 90 2.482 -12.286 -7.229 1.00 0.00 H new ATOM 231 N HIS A 91 6.372 -5.139 -4.919 1.00 0.00 N ATOM 232 CA HIS A 91 6.521 -3.705 -4.778 1.00 0.00 C ATOM 233 C HIS A 91 5.165 -3.051 -4.629 1.00 0.00 C ATOM 234 O HIS A 91 4.183 -3.496 -5.228 1.00 0.00 O ATOM 235 CB HIS A 91 7.255 -3.113 -5.979 1.00 0.00 C ATOM 236 CG HIS A 91 8.710 -3.457 -6.037 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.707 -2.523 -5.887 1.00 0.00 N ATOM 238 CD2 HIS A 91 9.336 -4.637 -6.257 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.880 -3.106 -6.016 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.686 -4.392 -6.242 1.00 0.00 N ATOM 0 H HIS A 91 6.150 -5.451 -5.864 1.00 0.00 H new ATOM 0 HA HIS A 91 7.112 -3.511 -3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.774 -3.461 -6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 91 7.150 -2.028 -5.957 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.861 -5.594 -6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.840 -2.615 -5.948 1.00 0.00 H new ATOM 0 HE2 HIS A 91 11.418 -5.088 -6.382 1.00 0.00 H new ATOM 249 N VAL A 92 5.102 -2.020 -3.828 1.00 0.00 N ATOM 250 CA VAL A 92 3.877 -1.291 -3.628 1.00 0.00 C ATOM 251 C VAL A 92 4.088 0.150 -4.019 1.00 0.00 C ATOM 252 O VAL A 92 4.910 0.855 -3.425 1.00 0.00 O ATOM 253 CB VAL A 92 3.398 -1.344 -2.161 1.00 0.00 C ATOM 254 CG1 VAL A 92 2.052 -0.645 -2.005 1.00 0.00 C ATOM 255 CG2 VAL A 92 3.320 -2.779 -1.666 1.00 0.00 C ATOM 0 H VAL A 92 5.896 -1.663 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 92 3.112 -1.757 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 92 4.129 -0.815 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.735 -0.695 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.147 0.398 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.311 -1.138 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.980 -2.789 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.618 -3.339 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.306 -3.240 -1.729 1.00 0.00 H new ATOM 265 N VAL A 93 3.361 0.571 -5.007 1.00 0.00 N ATOM 266 CA VAL A 93 3.436 1.918 -5.500 1.00 0.00 C ATOM 267 C VAL A 93 2.033 2.484 -5.613 1.00 0.00 C ATOM 268 O VAL A 93 1.129 1.830 -6.150 1.00 0.00 O ATOM 269 CB VAL A 93 4.166 1.978 -6.874 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.491 1.074 -7.901 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.251 3.409 -7.387 1.00 0.00 C ATOM 0 H VAL A 93 2.689 -0.016 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 93 4.016 2.519 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 93 5.181 1.612 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.025 1.139 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.507 0.044 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.458 1.393 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.766 3.421 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.246 3.812 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.803 4.020 -6.672 1.00 0.00 H new ATOM 281 N CYS A 94 1.828 3.670 -5.094 1.00 0.00 N ATOM 282 CA CYS A 94 0.512 4.240 -5.128 1.00 0.00 C ATOM 283 C CYS A 94 0.417 5.351 -6.148 1.00 0.00 C ATOM 284 O CYS A 94 1.327 6.172 -6.290 1.00 0.00 O ATOM 285 CB CYS A 94 0.075 4.720 -3.756 1.00 0.00 C ATOM 286 SG CYS A 94 -1.705 4.511 -3.492 1.00 0.00 S ATOM 0 H CYS A 94 2.543 4.247 -4.652 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.173 3.449 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.621 4.170 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.337 5.772 -3.641 1.00 0.00 H new ATOM 291 N HIS A 95 -0.686 5.364 -6.865 1.00 0.00 N ATOM 292 CA HIS A 95 -0.919 6.343 -7.910 1.00 0.00 C ATOM 293 C HIS A 95 -1.990 7.334 -7.478 1.00 0.00 C ATOM 294 O HIS A 95 -2.024 8.470 -7.947 1.00 0.00 O ATOM 295 CB HIS A 95 -1.360 5.639 -9.204 1.00 0.00 C ATOM 296 CG HIS A 95 -0.464 4.507 -9.620 1.00 0.00 C ATOM 297 ND1 HIS A 95 -0.800 3.180 -9.452 1.00 0.00 N ATOM 298 CD2 HIS A 95 0.756 4.509 -10.201 1.00 0.00 C ATOM 299 CE1 HIS A 95 0.172 2.420 -9.909 1.00 0.00 C ATOM 300 NE2 HIS A 95 1.129 3.199 -10.370 1.00 0.00 N ATOM 0 H HIS A 95 -1.448 4.697 -6.742 1.00 0.00 H new ATOM 0 HA HIS A 95 0.011 6.882 -8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.372 5.257 -9.071 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.399 6.373 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.331 5.380 -10.480 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.183 1.340 -9.907 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.005 2.881 -10.785 1.00 0.00 H new ATOM 309 N GLU A 96 -2.853 6.902 -6.570 1.00 0.00 N ATOM 310 CA GLU A 96 -3.955 7.729 -6.107 1.00 0.00 C ATOM 311 C GLU A 96 -4.032 7.724 -4.591 1.00 0.00 C ATOM 312 O GLU A 96 -3.760 6.712 -3.954 1.00 0.00 O ATOM 313 CB GLU A 96 -5.275 7.223 -6.683 1.00 0.00 C ATOM 314 CG GLU A 96 -5.328 7.213 -8.199 1.00 0.00 C ATOM 315 CD GLU A 96 -6.645 6.700 -8.718 1.00 0.00 C ATOM 316 OE1 GLU A 96 -6.783 5.473 -8.887 1.00 0.00 O ATOM 317 OE2 GLU A 96 -7.558 7.522 -8.955 1.00 0.00 O ATOM 0 H GLU A 96 -2.810 5.979 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.778 8.749 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.454 6.212 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.086 7.846 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.160 8.223 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.520 6.591 -8.585 1.00 0.00 H new ATOM 324 N GLU A 97 -4.384 8.858 -4.021 1.00 0.00 N ATOM 325 CA GLU A 97 -4.531 8.981 -2.583 1.00 0.00 C ATOM 326 C GLU A 97 -5.818 8.302 -2.125 1.00 0.00 C ATOM 327 O GLU A 97 -6.919 8.786 -2.399 1.00 0.00 O ATOM 328 CB GLU A 97 -4.533 10.457 -2.190 1.00 0.00 C ATOM 329 CG GLU A 97 -3.254 11.182 -2.576 1.00 0.00 C ATOM 330 CD GLU A 97 -3.433 12.679 -2.697 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.264 13.248 -1.964 1.00 0.00 O ATOM 332 OE2 GLU A 97 -2.736 13.303 -3.534 1.00 0.00 O ATOM 0 H GLU A 97 -4.576 9.717 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.691 8.488 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.380 10.951 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.678 10.539 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.486 10.973 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.892 10.788 -3.526 1.00 0.00 H new ATOM 339 N GLY A 98 -5.674 7.176 -1.454 1.00 0.00 N ATOM 340 CA GLY A 98 -6.816 6.425 -1.004 1.00 0.00 C ATOM 341 C GLY A 98 -6.478 4.972 -0.795 1.00 0.00 C ATOM 342 O GLY A 98 -5.324 4.574 -0.957 1.00 0.00 O ATOM 0 H GLY A 98 -4.773 6.765 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.187 6.850 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.619 6.510 -1.736 1.00 0.00 H new ATOM 346 N PRO A 99 -7.453 4.164 -0.406 1.00 0.00 N ATOM 347 CA PRO A 99 -7.264 2.749 -0.180 1.00 0.00 C ATOM 348 C PRO A 99 -7.537 1.909 -1.429 1.00 0.00 C ATOM 349 O PRO A 99 -8.597 2.014 -2.052 1.00 0.00 O ATOM 350 CB PRO A 99 -8.288 2.444 0.899 1.00 0.00 C ATOM 351 CG PRO A 99 -9.384 3.450 0.699 1.00 0.00 C ATOM 352 CD PRO A 99 -8.825 4.581 -0.130 1.00 0.00 C ATOM 0 HA PRO A 99 -6.236 2.510 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.666 1.426 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.850 2.532 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.236 2.992 0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.742 3.821 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.393 4.722 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.855 5.527 0.411 1.00 0.00 H new ATOM 360 N ILE A 100 -6.581 1.080 -1.780 1.00 0.00 N ATOM 361 CA ILE A 100 -6.696 0.202 -2.934 1.00 0.00 C ATOM 362 C ILE A 100 -6.151 -1.189 -2.602 1.00 0.00 C ATOM 363 O ILE A 100 -5.348 -1.328 -1.687 1.00 0.00 O ATOM 364 CB ILE A 100 -5.981 0.795 -4.193 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.716 1.602 -3.810 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.949 1.666 -4.991 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.571 0.771 -3.264 1.00 0.00 C ATOM 0 H ILE A 100 -5.698 0.991 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.755 0.115 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.660 -0.041 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.367 2.142 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.991 2.349 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.438 2.072 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.798 1.064 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.303 2.485 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.731 1.422 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.896 0.251 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.262 0.041 -4.012 1.00 0.00 H new ATOM 379 N PRO A 101 -6.597 -2.241 -3.325 1.00 0.00 N ATOM 380 CA PRO A 101 -6.162 -3.627 -3.065 1.00 0.00 C ATOM 381 C PRO A 101 -4.663 -3.821 -3.286 1.00 0.00 C ATOM 382 O PRO A 101 -3.993 -2.984 -3.908 1.00 0.00 O ATOM 383 CB PRO A 101 -6.958 -4.446 -4.087 1.00 0.00 C ATOM 384 CG PRO A 101 -7.297 -3.472 -5.155 1.00 0.00 C ATOM 385 CD PRO A 101 -7.543 -2.177 -4.447 1.00 0.00 C ATOM 0 HA PRO A 101 -6.337 -3.918 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.368 -5.275 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.855 -4.875 -3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.483 -3.378 -5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.179 -3.790 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.350 -1.319 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.574 -2.092 -4.104 1.00 0.00 H new ATOM 393 N HIS A 102 -4.142 -4.929 -2.794 1.00 0.00 N ATOM 394 CA HIS A 102 -2.731 -5.218 -2.909 1.00 0.00 C ATOM 395 C HIS A 102 -2.464 -5.955 -4.217 1.00 0.00 C ATOM 396 O HIS A 102 -3.169 -6.909 -4.543 1.00 0.00 O ATOM 397 CB HIS A 102 -2.263 -6.062 -1.711 1.00 0.00 C ATOM 398 CG HIS A 102 -0.809 -5.906 -1.381 1.00 0.00 C ATOM 399 ND1 HIS A 102 0.178 -6.718 -1.883 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.179 -5.011 -0.589 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.346 -6.323 -1.420 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.159 -5.292 -0.629 1.00 0.00 N ATOM 0 H HIS A 102 -4.681 -5.646 -2.308 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.172 -4.282 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.854 -5.790 -0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.466 -7.112 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.647 -4.217 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.300 -6.773 -1.653 1.00 0.00 H new ATOM 0 HE2 HIS A 102 1.889 -4.785 -0.128 1.00 0.00 H new ATOM 411 N PRO A 103 -1.442 -5.523 -4.986 1.00 0.00 N ATOM 412 CA PRO A 103 -1.092 -6.142 -6.282 1.00 0.00 C ATOM 413 C PRO A 103 -0.755 -7.632 -6.157 1.00 0.00 C ATOM 414 O PRO A 103 -0.798 -8.376 -7.138 1.00 0.00 O ATOM 415 CB PRO A 103 0.144 -5.350 -6.744 1.00 0.00 C ATOM 416 CG PRO A 103 0.645 -4.655 -5.520 1.00 0.00 C ATOM 417 CD PRO A 103 -0.563 -4.382 -4.678 1.00 0.00 C ATOM 0 HA PRO A 103 -1.927 -6.101 -6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.903 -6.013 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.116 -4.635 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.362 -5.277 -4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.158 -3.729 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.315 -4.338 -3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.029 -3.431 -4.936 1.00 0.00 H new ATOM 425 N GLY A 104 -0.420 -8.054 -4.945 1.00 0.00 N ATOM 426 CA GLY A 104 -0.101 -9.446 -4.711 1.00 0.00 C ATOM 427 C GLY A 104 -1.321 -10.251 -4.310 1.00 0.00 C ATOM 428 O GLY A 104 -1.782 -11.101 -5.069 1.00 0.00 O ATOM 0 H GLY A 104 -0.364 -7.456 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.335 -9.874 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.654 -9.518 -3.928 1.00 0.00 H new ATOM 432 N ASN A 105 -1.853 -9.973 -3.129 1.00 0.00 N ATOM 433 CA ASN A 105 -3.035 -10.673 -2.641 1.00 0.00 C ATOM 434 C ASN A 105 -4.187 -9.709 -2.419 1.00 0.00 C ATOM 435 O ASN A 105 -4.134 -8.867 -1.519 1.00 0.00 O ATOM 436 CB ASN A 105 -2.732 -11.410 -1.330 1.00 0.00 C ATOM 437 CG ASN A 105 -1.695 -12.501 -1.486 1.00 0.00 C ATOM 438 OD1 ASN A 105 -2.022 -13.652 -1.802 1.00 0.00 O ATOM 439 ND2 ASN A 105 -0.444 -12.158 -1.254 1.00 0.00 N ATOM 0 H ASN A 105 -1.486 -9.268 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.320 -11.399 -3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -2.385 -10.691 -0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.654 -11.846 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 105 0.298 -12.853 -1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.218 -11.197 -0.996 1.00 0.00 H new ATOM 446 N VAL A 106 -5.212 -9.807 -3.269 1.00 0.00 N ATOM 447 CA VAL A 106 -6.435 -8.992 -3.146 1.00 0.00 C ATOM 448 C VAL A 106 -7.112 -9.123 -1.768 1.00 0.00 C ATOM 449 O VAL A 106 -7.987 -8.326 -1.425 1.00 0.00 O ATOM 450 CB VAL A 106 -7.460 -9.339 -4.250 1.00 0.00 C ATOM 451 CG1 VAL A 106 -6.861 -9.091 -5.622 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.938 -10.780 -4.126 1.00 0.00 C ATOM 0 H VAL A 106 -5.223 -10.450 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.108 -7.959 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.326 -8.689 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.594 -9.340 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.582 -8.041 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.976 -9.714 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.658 -10.994 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.087 -11.455 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.412 -10.924 -3.155 1.00 0.00 H new ATOM 462 N HIS A 107 -6.708 -10.124 -0.983 1.00 0.00 N ATOM 463 CA HIS A 107 -7.242 -10.303 0.374 1.00 0.00 C ATOM 464 C HIS A 107 -6.663 -9.251 1.322 1.00 0.00 C ATOM 465 O HIS A 107 -6.937 -9.261 2.520 1.00 0.00 O ATOM 466 CB HIS A 107 -6.931 -11.704 0.915 1.00 0.00 C ATOM 467 CG HIS A 107 -7.639 -12.815 0.203 1.00 0.00 C ATOM 468 ND1 HIS A 107 -7.108 -14.076 0.063 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.849 -12.854 -0.399 1.00 0.00 C ATOM 470 CE1 HIS A 107 -7.953 -14.840 -0.593 1.00 0.00 C ATOM 471 NE2 HIS A 107 -9.016 -14.125 -0.884 1.00 0.00 N ATOM 0 H HIS A 107 -6.017 -10.821 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.324 -10.184 0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.856 -11.874 0.850 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.196 -11.739 1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.551 -12.038 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.800 -15.878 -0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.835 -14.462 -1.390 1.00 0.00 H new ATOM 480 N LYS A 108 -5.876 -8.347 0.767 1.00 0.00 N ATOM 481 CA LYS A 108 -5.253 -7.283 1.521 1.00 0.00 C ATOM 482 C LYS A 108 -5.278 -6.014 0.711 1.00 0.00 C ATOM 483 O LYS A 108 -5.383 -6.058 -0.519 1.00 0.00 O ATOM 484 CB LYS A 108 -3.806 -7.623 1.871 1.00 0.00 C ATOM 485 CG LYS A 108 -3.641 -8.877 2.699 1.00 0.00 C ATOM 486 CD LYS A 108 -2.252 -8.963 3.282 1.00 0.00 C ATOM 487 CE LYS A 108 -1.192 -9.033 2.199 1.00 0.00 C ATOM 488 NZ LYS A 108 0.120 -9.459 2.736 1.00 0.00 N ATOM 0 H LYS A 108 -5.652 -8.334 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.811 -7.153 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.238 -7.735 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.370 -6.784 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.377 -8.886 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.834 -9.753 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.069 -8.095 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.179 -9.844 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.511 -9.730 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.091 -8.056 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.790 -9.592 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.484 -8.730 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.009 -10.355 3.253 1.00 0.00 H new ATOM 502 N TYR A 109 -5.179 -4.895 1.378 1.00 0.00 N ATOM 503 CA TYR A 109 -5.205 -3.620 0.695 1.00 0.00 C ATOM 504 C TYR A 109 -4.261 -2.633 1.341 1.00 0.00 C ATOM 505 O TYR A 109 -3.729 -2.887 2.412 1.00 0.00 O ATOM 506 CB TYR A 109 -6.627 -3.058 0.620 1.00 0.00 C ATOM 507 CG TYR A 109 -7.157 -2.423 1.889 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.470 -3.184 3.009 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.377 -1.054 1.946 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.985 -2.593 4.151 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.885 -0.459 3.076 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.189 -1.228 4.175 1.00 0.00 C ATOM 513 OH TYR A 109 -8.706 -0.629 5.303 1.00 0.00 O ATOM 0 H TYR A 109 -5.080 -4.836 2.391 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.862 -3.787 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.661 -2.315 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.301 -3.865 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.309 -4.252 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.144 -0.444 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.225 -3.195 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.045 0.609 3.101 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.785 0.336 5.154 1.00 0.00 H new ATOM 523 N ILE A 110 -4.053 -1.517 0.689 1.00 0.00 N ATOM 524 CA ILE A 110 -3.180 -0.494 1.207 1.00 0.00 C ATOM 525 C ILE A 110 -3.922 0.820 1.284 1.00 0.00 C ATOM 526 O ILE A 110 -4.695 1.159 0.389 1.00 0.00 O ATOM 527 CB ILE A 110 -1.915 -0.284 0.323 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.287 -1.609 -0.101 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.891 0.562 1.053 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.805 -2.124 -1.424 1.00 0.00 C ATOM 0 H ILE A 110 -4.481 -1.293 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.859 -0.826 2.194 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.236 0.236 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.206 -1.486 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.477 -2.356 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.014 0.698 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.324 1.535 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.598 0.062 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.316 -3.068 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.882 -2.279 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.591 -1.396 -2.207 1.00 0.00 H new ATOM 542 N ILE A 111 -3.703 1.546 2.352 1.00 0.00 N ATOM 543 CA ILE A 111 -4.273 2.857 2.493 1.00 0.00 C ATOM 544 C ILE A 111 -3.203 3.868 2.169 1.00 0.00 C ATOM 545 O ILE A 111 -2.198 3.964 2.884 1.00 0.00 O ATOM 546 CB ILE A 111 -4.806 3.154 3.929 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.845 2.116 4.375 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.408 4.553 3.988 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.246 0.834 4.910 1.00 0.00 C ATOM 0 H ILE A 111 -3.129 1.246 3.140 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.126 2.914 1.816 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.960 3.095 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.477 2.558 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.491 1.878 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.776 4.748 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.645 5.288 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.233 4.624 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.045 0.154 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.637 0.366 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.623 1.057 5.776 1.00 0.00 H new ATOM 561 N CYS A 112 -3.378 4.583 1.093 1.00 0.00 N ATOM 562 CA CYS A 112 -2.422 5.584 0.713 1.00 0.00 C ATOM 563 C CYS A 112 -2.868 6.919 1.233 1.00 0.00 C ATOM 564 O CYS A 112 -3.969 7.381 0.921 1.00 0.00 O ATOM 565 CB CYS A 112 -2.276 5.634 -0.792 1.00 0.00 C ATOM 566 SG CYS A 112 -1.846 4.046 -1.540 1.00 0.00 S ATOM 0 H CYS A 112 -4.175 4.491 0.463 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.452 5.332 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.211 5.988 -1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.509 6.365 -1.049 1.00 0.00 H new ATOM 571 N SER A 113 -2.022 7.542 2.004 1.00 0.00 N ATOM 572 CA SER A 113 -2.357 8.792 2.620 1.00 0.00 C ATOM 573 C SER A 113 -1.364 9.865 2.234 1.00 0.00 C ATOM 574 O SER A 113 -0.147 9.628 2.198 1.00 0.00 O ATOM 575 CB SER A 113 -2.446 8.630 4.144 1.00 0.00 C ATOM 576 OG SER A 113 -1.249 8.074 4.682 1.00 0.00 O ATOM 0 H SER A 113 -1.086 7.199 2.222 1.00 0.00 H new ATOM 0 HA SER A 113 -3.336 9.107 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.636 9.600 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.291 7.988 4.394 1.00 0.00 H new ATOM 0 HG SER A 113 -0.732 7.654 3.963 1.00 0.00 H new ATOM 582 N LYS A 114 -1.880 11.030 1.928 1.00 0.00 N ATOM 583 CA LYS A 114 -1.069 12.142 1.522 1.00 0.00 C ATOM 584 C LYS A 114 -0.794 13.032 2.711 1.00 0.00 C ATOM 585 O LYS A 114 -1.714 13.608 3.288 1.00 0.00 O ATOM 586 CB LYS A 114 -1.803 12.942 0.449 1.00 0.00 C ATOM 587 CG LYS A 114 -0.945 13.938 -0.306 1.00 0.00 C ATOM 588 CD LYS A 114 0.028 13.234 -1.228 1.00 0.00 C ATOM 589 CE LYS A 114 0.572 14.180 -2.278 1.00 0.00 C ATOM 590 NZ LYS A 114 -0.515 14.799 -3.082 1.00 0.00 N ATOM 0 H LYS A 114 -2.880 11.230 1.955 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.125 11.772 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.240 12.246 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.629 13.478 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.583 14.605 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.395 14.559 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.852 12.822 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.470 12.395 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.156 14.962 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.249 13.639 -2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.211 14.878 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.368 14.206 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.727 15.746 -2.708 1.00 0.00 H new ATOM 604 N SER A 115 0.451 13.130 3.094 1.00 0.00 N ATOM 605 CA SER A 115 0.839 13.998 4.169 1.00 0.00 C ATOM 606 C SER A 115 1.591 15.177 3.584 1.00 0.00 C ATOM 607 O SER A 115 2.825 15.203 3.556 1.00 0.00 O ATOM 608 CB SER A 115 1.696 13.237 5.177 1.00 0.00 C ATOM 609 OG SER A 115 0.972 12.151 5.736 1.00 0.00 O ATOM 0 H SER A 115 1.221 12.612 2.670 1.00 0.00 H new ATOM 0 HA SER A 115 -0.041 14.362 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.597 12.866 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.018 13.912 5.970 1.00 0.00 H new ATOM 0 HG SER A 115 1.578 11.592 6.266 1.00 0.00 H new ATOM 615 N GLY A 116 0.836 16.120 3.064 1.00 0.00 N ATOM 616 CA GLY A 116 1.414 17.259 2.403 1.00 0.00 C ATOM 617 C GLY A 116 1.973 16.869 1.051 1.00 0.00 C ATOM 618 O GLY A 116 1.221 16.636 0.103 1.00 0.00 O ATOM 0 H GLY A 116 -0.184 16.116 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.659 18.035 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.206 17.681 3.021 1.00 0.00 H new ATOM 622 N SER A 117 3.283 16.767 0.964 1.00 0.00 N ATOM 623 CA SER A 117 3.931 16.385 -0.272 1.00 0.00 C ATOM 624 C SER A 117 4.596 15.019 -0.109 1.00 0.00 C ATOM 625 O SER A 117 5.390 14.593 -0.945 1.00 0.00 O ATOM 626 CB SER A 117 4.964 17.448 -0.665 1.00 0.00 C ATOM 627 OG SER A 117 5.387 17.296 -2.013 1.00 0.00 O ATOM 0 H SER A 117 3.922 16.944 1.739 1.00 0.00 H new ATOM 0 HA SER A 117 3.187 16.314 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.535 18.441 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.827 17.379 -0.003 1.00 0.00 H new ATOM 0 HG SER A 117 5.557 16.349 -2.198 1.00 0.00 H new ATOM 633 N LEU A 118 4.249 14.339 0.969 1.00 0.00 N ATOM 634 CA LEU A 118 4.825 13.066 1.294 1.00 0.00 C ATOM 635 C LEU A 118 3.765 11.967 1.288 1.00 0.00 C ATOM 636 O LEU A 118 2.665 12.155 1.811 1.00 0.00 O ATOM 637 CB LEU A 118 5.456 13.162 2.668 1.00 0.00 C ATOM 638 CG LEU A 118 6.736 13.993 2.765 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.163 14.136 4.215 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.850 13.362 1.944 1.00 0.00 C ATOM 0 H LEU A 118 3.555 14.665 1.641 1.00 0.00 H new ATOM 0 HA LEU A 118 5.576 12.811 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.721 13.583 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.675 12.153 3.016 1.00 0.00 H new ATOM 0 HG LEU A 118 6.533 14.985 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.075 14.730 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.373 14.632 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.347 13.149 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.752 13.969 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.053 12.358 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.545 13.306 0.899 1.00 0.00 H new ATOM 652 N TRP A 119 4.089 10.834 0.686 1.00 0.00 N ATOM 653 CA TRP A 119 3.169 9.702 0.648 1.00 0.00 C ATOM 654 C TRP A 119 3.486 8.703 1.749 1.00 0.00 C ATOM 655 O TRP A 119 4.636 8.309 1.935 1.00 0.00 O ATOM 656 CB TRP A 119 3.243 8.978 -0.705 1.00 0.00 C ATOM 657 CG TRP A 119 2.624 9.721 -1.843 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.121 10.820 -2.475 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.395 9.399 -2.499 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.273 11.205 -3.483 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.206 10.348 -3.519 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.434 8.398 -2.323 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.098 10.327 -4.361 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.663 8.378 -3.159 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.823 9.336 -4.167 1.00 0.00 C ATOM 0 H TRP A 119 4.980 10.671 0.217 1.00 0.00 H new ATOM 0 HA TRP A 119 2.165 10.101 0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.289 8.784 -0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.752 8.009 -0.611 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.046 11.316 -2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.415 12.001 -4.105 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.549 7.655 -1.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.029 11.066 -5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.412 7.610 -3.034 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.693 9.291 -4.805 1.00 0.00 H new ATOM 676 N TYR A 120 2.462 8.298 2.469 1.00 0.00 N ATOM 677 CA TYR A 120 2.595 7.265 3.481 1.00 0.00 C ATOM 678 C TYR A 120 1.533 6.209 3.262 1.00 0.00 C ATOM 679 O TYR A 120 0.348 6.527 3.121 1.00 0.00 O ATOM 680 CB TYR A 120 2.492 7.855 4.888 1.00 0.00 C ATOM 681 CG TYR A 120 3.643 8.770 5.239 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.828 8.259 5.750 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.551 10.141 5.045 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.886 9.089 6.059 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.605 10.977 5.349 1.00 0.00 C ATOM 686 CZ TYR A 120 5.770 10.446 5.855 1.00 0.00 C ATOM 687 OH TYR A 120 6.828 11.278 6.156 1.00 0.00 O ATOM 0 H TYR A 120 1.518 8.671 2.373 1.00 0.00 H new ATOM 0 HA TYR A 120 3.580 6.808 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.557 8.409 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 120 2.449 7.042 5.613 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.923 7.195 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.638 10.561 4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.801 8.677 6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.517 12.042 5.191 1.00 0.00 H new ATOM 0 HH TYR A 120 7.671 10.792 6.036 1.00 0.00 H new ATOM 697 N ILE A 121 1.951 4.961 3.208 1.00 0.00 N ATOM 698 CA ILE A 121 1.032 3.870 2.936 1.00 0.00 C ATOM 699 C ILE A 121 0.982 2.871 4.093 1.00 0.00 C ATOM 700 O ILE A 121 1.896 2.812 4.921 1.00 0.00 O ATOM 701 CB ILE A 121 1.395 3.135 1.605 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.773 2.456 1.684 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.357 4.099 0.428 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.727 1.017 2.157 1.00 0.00 C ATOM 0 H ILE A 121 2.920 4.675 3.348 1.00 0.00 H new ATOM 0 HA ILE A 121 0.042 4.313 2.826 1.00 0.00 H new ATOM 0 HB ILE A 121 0.646 2.358 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.239 2.489 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.410 3.029 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.613 3.566 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.356 4.520 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.075 4.903 0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.738 0.611 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.292 0.976 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.118 0.428 1.471 1.00 0.00 H new ATOM 716 N THR A 122 -0.092 2.109 4.154 1.00 0.00 N ATOM 717 CA THR A 122 -0.260 1.074 5.162 1.00 0.00 C ATOM 718 C THR A 122 -1.034 -0.106 4.572 1.00 0.00 C ATOM 719 O THR A 122 -2.153 0.066 4.097 1.00 0.00 O ATOM 720 CB THR A 122 -1.020 1.614 6.396 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.354 2.781 6.907 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.103 0.561 7.491 1.00 0.00 C ATOM 0 H THR A 122 -0.876 2.188 3.506 1.00 0.00 H new ATOM 0 HA THR A 122 0.731 0.749 5.478 1.00 0.00 H new ATOM 0 HB THR A 122 -2.032 1.872 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.840 3.120 7.687 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.642 0.968 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.629 -0.316 7.114 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.097 0.276 7.798 1.00 0.00 H new ATOM 730 N VAL A 123 -0.439 -1.289 4.592 1.00 0.00 N ATOM 731 CA VAL A 123 -1.090 -2.465 4.034 1.00 0.00 C ATOM 732 C VAL A 123 -1.836 -3.254 5.111 1.00 0.00 C ATOM 733 O VAL A 123 -1.236 -3.862 5.994 1.00 0.00 O ATOM 734 CB VAL A 123 -0.100 -3.387 3.260 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.115 -3.746 4.103 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.807 -4.650 2.777 1.00 0.00 C ATOM 0 H VAL A 123 0.486 -1.460 4.985 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.818 -2.098 3.310 1.00 0.00 H new ATOM 0 HB VAL A 123 0.254 -2.829 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.780 -4.390 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.645 -2.836 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.792 -4.270 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.099 -5.280 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.201 -5.197 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.627 -4.377 2.113 1.00 0.00 H new ATOM 746 N MET A 124 -3.146 -3.217 5.033 1.00 0.00 N ATOM 747 CA MET A 124 -3.999 -3.903 5.985 1.00 0.00 C ATOM 748 C MET A 124 -4.721 -5.056 5.301 1.00 0.00 C ATOM 749 O MET A 124 -5.097 -4.952 4.135 1.00 0.00 O ATOM 750 CB MET A 124 -5.021 -2.926 6.575 1.00 0.00 C ATOM 751 CG MET A 124 -4.416 -1.695 7.251 1.00 0.00 C ATOM 752 SD MET A 124 -3.916 -1.968 8.975 1.00 0.00 S ATOM 753 CE MET A 124 -2.370 -2.856 8.786 1.00 0.00 C ATOM 0 H MET A 124 -3.654 -2.711 4.308 1.00 0.00 H new ATOM 0 HA MET A 124 -3.380 -4.298 6.791 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.688 -2.595 5.779 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.633 -3.458 7.303 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.547 -1.370 6.679 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.142 -0.882 7.219 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.737 -2.674 9.655 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.572 -3.924 8.701 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.860 -2.511 7.887 1.00 0.00 H new ATOM 763 N PRO A 125 -4.902 -6.177 6.002 1.00 0.00 N ATOM 764 CA PRO A 125 -5.597 -7.332 5.460 1.00 0.00 C ATOM 765 C PRO A 125 -7.113 -7.258 5.661 1.00 0.00 C ATOM 766 O PRO A 125 -7.596 -6.739 6.672 1.00 0.00 O ATOM 767 CB PRO A 125 -5.008 -8.483 6.266 1.00 0.00 C ATOM 768 CG PRO A 125 -4.707 -7.890 7.604 1.00 0.00 C ATOM 769 CD PRO A 125 -4.424 -6.420 7.378 1.00 0.00 C ATOM 0 HA PRO A 125 -5.466 -7.424 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.712 -9.311 6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.107 -8.877 5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.549 -8.021 8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.849 -8.383 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.950 -5.796 8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.362 -6.197 7.478 1.00 0.00 H new ATOM 777 N CYS A 126 -7.853 -7.762 4.688 1.00 0.00 N ATOM 778 CA CYS A 126 -9.303 -7.813 4.776 1.00 0.00 C ATOM 779 C CYS A 126 -9.743 -9.024 5.568 1.00 0.00 C ATOM 780 O CYS A 126 -8.920 -9.857 5.973 1.00 0.00 O ATOM 781 CB CYS A 126 -9.940 -7.864 3.382 1.00 0.00 C ATOM 782 SG CYS A 126 -10.133 -6.248 2.565 1.00 0.00 S ATOM 0 H CYS A 126 -7.471 -8.144 3.823 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.634 -6.906 5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.332 -8.506 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -10.921 -8.332 3.464 1.00 0.00 H new ATOM 787 N SER A 127 -11.034 -9.112 5.804 1.00 0.00 N ATOM 788 CA SER A 127 -11.608 -10.240 6.482 1.00 0.00 C ATOM 789 C SER A 127 -11.363 -11.512 5.673 1.00 0.00 C ATOM 790 O SER A 127 -11.357 -11.482 4.431 1.00 0.00 O ATOM 791 CB SER A 127 -13.099 -10.005 6.665 1.00 0.00 C ATOM 792 OG SER A 127 -13.333 -8.722 7.223 1.00 0.00 O ATOM 0 H SER A 127 -11.711 -8.400 5.529 1.00 0.00 H new ATOM 0 HA SER A 127 -11.142 -10.359 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.607 -10.089 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.517 -10.773 7.315 1.00 0.00 H new ATOM 0 HG SER A 127 -14.297 -8.584 7.333 1.00 0.00 H new ATOM 798 N ILE A 128 -11.143 -12.609 6.359 1.00 0.00 N ATOM 799 CA ILE A 128 -10.890 -13.867 5.694 1.00 0.00 C ATOM 800 C ILE A 128 -12.114 -14.278 4.885 1.00 0.00 C ATOM 801 O ILE A 128 -13.233 -14.334 5.410 1.00 0.00 O ATOM 802 CB ILE A 128 -10.486 -14.995 6.694 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.075 -14.744 7.268 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.543 -16.366 6.028 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.972 -13.552 8.203 1.00 0.00 C ATOM 0 H ILE A 128 -11.134 -12.657 7.378 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.043 -13.723 5.023 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.204 -14.979 7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.751 -15.637 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.381 -14.600 6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.257 -17.133 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.557 -16.558 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.856 -16.388 5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.945 -13.454 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.260 -12.646 7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.636 -13.699 9.055 1.00 0.00 H new ATOM 817 N GLY A 129 -11.894 -14.553 3.613 1.00 0.00 N ATOM 818 CA GLY A 129 -12.984 -14.880 2.729 1.00 0.00 C ATOM 819 C GLY A 129 -13.429 -13.699 1.884 1.00 0.00 C ATOM 820 O GLY A 129 -14.277 -13.849 1.002 1.00 0.00 O ATOM 0 H GLY A 129 -10.973 -14.555 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.682 -15.697 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.828 -15.239 3.318 1.00 0.00 H new ATOM 824 N THR A 130 -12.880 -12.517 2.154 1.00 0.00 N ATOM 825 CA THR A 130 -13.234 -11.338 1.383 1.00 0.00 C ATOM 826 C THR A 130 -12.004 -10.712 0.721 1.00 0.00 C ATOM 827 O THR A 130 -10.869 -10.920 1.166 1.00 0.00 O ATOM 828 CB THR A 130 -13.956 -10.272 2.249 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.122 -9.860 3.338 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.273 -10.811 2.796 1.00 0.00 C ATOM 0 H THR A 130 -12.196 -12.355 2.893 1.00 0.00 H new ATOM 0 HA THR A 130 -13.922 -11.674 0.607 1.00 0.00 H new ATOM 0 HB THR A 130 -14.165 -9.414 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.319 -10.422 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.758 -10.043 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.925 -11.087 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.079 -11.688 3.413 1.00 0.00 H new ATOM 838 N LYS A 131 -12.242 -9.961 -0.338 1.00 0.00 N ATOM 839 CA LYS A 131 -11.190 -9.275 -1.073 1.00 0.00 C ATOM 840 C LYS A 131 -11.509 -7.794 -1.134 1.00 0.00 C ATOM 841 O LYS A 131 -12.676 -7.416 -1.166 1.00 0.00 O ATOM 842 CB LYS A 131 -11.075 -9.841 -2.492 1.00 0.00 C ATOM 843 CG LYS A 131 -12.345 -9.689 -3.320 1.00 0.00 C ATOM 844 CD LYS A 131 -12.202 -10.325 -4.688 1.00 0.00 C ATOM 845 CE LYS A 131 -13.459 -10.137 -5.518 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.332 -10.749 -6.865 1.00 0.00 N ATOM 0 H LYS A 131 -13.176 -9.807 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.239 -9.426 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.255 -9.341 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.816 -10.898 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.181 -10.147 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.581 -8.631 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.351 -9.886 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.993 -11.389 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.307 -10.580 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.669 -9.073 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.211 -10.598 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.539 -10.309 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.157 -11.770 -6.768 1.00 0.00 H new ATOM 860 N PHE A 132 -10.498 -6.961 -1.139 1.00 0.00 N ATOM 861 CA PHE A 132 -10.725 -5.531 -1.182 1.00 0.00 C ATOM 862 C PHE A 132 -10.994 -5.062 -2.601 1.00 0.00 C ATOM 863 O PHE A 132 -10.299 -5.450 -3.542 1.00 0.00 O ATOM 864 CB PHE A 132 -9.542 -4.772 -0.594 1.00 0.00 C ATOM 865 CG PHE A 132 -9.820 -3.313 -0.358 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.421 -2.892 0.815 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.474 -2.365 -1.304 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.672 -1.555 1.038 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.725 -1.026 -1.088 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.323 -0.620 0.084 1.00 0.00 C ATOM 0 H PHE A 132 -9.517 -7.241 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.607 -5.321 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.256 -5.236 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.690 -4.867 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.697 -3.619 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.001 -2.677 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.141 -1.239 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.453 -0.297 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.519 0.428 0.257 1.00 0.00 H new ATOM 880 N ASP A 133 -12.008 -4.235 -2.747 1.00 0.00 N ATOM 881 CA ASP A 133 -12.365 -3.685 -4.040 1.00 0.00 C ATOM 882 C ASP A 133 -11.911 -2.236 -4.119 1.00 0.00 C ATOM 883 O ASP A 133 -12.230 -1.433 -3.238 1.00 0.00 O ATOM 884 CB ASP A 133 -13.873 -3.794 -4.265 1.00 0.00 C ATOM 885 CG ASP A 133 -14.290 -3.370 -5.657 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.291 -4.228 -6.567 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.641 -2.184 -5.849 1.00 0.00 O ATOM 0 H ASP A 133 -12.605 -3.926 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.865 -4.254 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.188 -4.823 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.391 -3.176 -3.531 1.00 0.00 H new ATOM 892 N PRO A 134 -11.166 -1.882 -5.178 1.00 0.00 N ATOM 893 CA PRO A 134 -10.589 -0.539 -5.339 1.00 0.00 C ATOM 894 C PRO A 134 -11.634 0.563 -5.428 1.00 0.00 C ATOM 895 O PRO A 134 -11.476 1.630 -4.827 1.00 0.00 O ATOM 896 CB PRO A 134 -9.812 -0.633 -6.663 1.00 0.00 C ATOM 897 CG PRO A 134 -10.407 -1.798 -7.377 1.00 0.00 C ATOM 898 CD PRO A 134 -10.838 -2.760 -6.312 1.00 0.00 C ATOM 0 HA PRO A 134 -9.978 -0.273 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.914 0.282 -7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.747 -0.781 -6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.254 -1.489 -7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.680 -2.258 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.699 -3.350 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.045 -3.464 -6.060 1.00 0.00 H new ATOM 906 N ILE A 135 -12.692 0.309 -6.172 1.00 0.00 N ATOM 907 CA ILE A 135 -13.720 1.308 -6.385 1.00 0.00 C ATOM 908 C ILE A 135 -14.660 1.409 -5.191 1.00 0.00 C ATOM 909 O ILE A 135 -14.918 2.507 -4.696 1.00 0.00 O ATOM 910 CB ILE A 135 -14.527 1.024 -7.674 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.576 0.850 -8.872 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.530 2.142 -7.942 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.595 1.998 -9.059 1.00 0.00 C ATOM 0 H ILE A 135 -12.862 -0.581 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 135 -13.211 2.265 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 135 -15.083 0.097 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -13.015 -0.076 -8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -14.169 0.742 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -16.086 1.921 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -16.222 2.218 -7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.999 3.086 -8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.962 1.798 -9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -13.146 2.925 -9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.974 2.095 -8.169 1.00 0.00 H new ATOM 925 N SER A 136 -15.167 0.272 -4.728 1.00 0.00 N ATOM 926 CA SER A 136 -16.079 0.247 -3.590 1.00 0.00 C ATOM 927 C SER A 136 -15.397 0.778 -2.323 1.00 0.00 C ATOM 928 O SER A 136 -16.032 1.447 -1.502 1.00 0.00 O ATOM 929 CB SER A 136 -16.577 -1.180 -3.360 1.00 0.00 C ATOM 930 OG SER A 136 -16.962 -1.790 -4.588 1.00 0.00 O ATOM 0 H SER A 136 -14.962 -0.646 -5.123 1.00 0.00 H new ATOM 0 HA SER A 136 -16.926 0.896 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.793 -1.771 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.424 -1.167 -2.675 1.00 0.00 H new ATOM 0 HG SER A 136 -16.165 -1.958 -5.133 1.00 0.00 H new ATOM 936 N ARG A 137 -14.104 0.444 -2.172 1.00 0.00 N ATOM 937 CA ARG A 137 -13.281 0.884 -1.034 1.00 0.00 C ATOM 938 C ARG A 137 -13.635 0.122 0.231 1.00 0.00 C ATOM 939 O ARG A 137 -13.686 0.689 1.321 1.00 0.00 O ATOM 940 CB ARG A 137 -13.383 2.401 -0.791 1.00 0.00 C ATOM 941 CG ARG A 137 -12.662 3.249 -1.824 1.00 0.00 C ATOM 942 CD ARG A 137 -12.802 4.737 -1.516 1.00 0.00 C ATOM 943 NE ARG A 137 -12.351 5.072 -0.157 1.00 0.00 N ATOM 944 CZ ARG A 137 -12.024 6.303 0.254 1.00 0.00 C ATOM 945 NH1 ARG A 137 -12.042 7.323 -0.600 1.00 0.00 N ATOM 946 NH2 ARG A 137 -11.664 6.508 1.516 1.00 0.00 N ATOM 0 H ARG A 137 -13.599 -0.141 -2.838 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.247 0.662 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.435 2.685 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.977 2.627 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.606 2.978 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.066 3.041 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.224 5.311 -2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -13.844 5.033 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.283 4.312 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.306 7.169 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -11.792 8.259 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.637 5.727 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -11.415 7.446 1.829 1.00 0.00 H new ATOM 960 N ASN A 138 -13.838 -1.174 0.086 1.00 0.00 N ATOM 961 CA ASN A 138 -14.159 -2.042 1.202 1.00 0.00 C ATOM 962 C ASN A 138 -13.879 -3.475 0.795 1.00 0.00 C ATOM 963 O ASN A 138 -13.453 -3.725 -0.338 1.00 0.00 O ATOM 964 CB ASN A 138 -15.629 -1.875 1.648 1.00 0.00 C ATOM 965 CG ASN A 138 -16.641 -2.331 0.608 1.00 0.00 C ATOM 966 OD1 ASN A 138 -17.026 -1.567 -0.272 1.00 0.00 O ATOM 967 ND2 ASN A 138 -17.102 -3.564 0.720 1.00 0.00 N ATOM 0 H ASN A 138 -13.785 -1.655 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.538 -1.770 2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.787 -2.440 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.811 -0.826 1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.801 -3.909 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.759 -4.171 1.464 1.00 0.00 H new ATOM 974 N CYS A 139 -14.127 -4.407 1.681 1.00 0.00 N ATOM 975 CA CYS A 139 -13.861 -5.796 1.383 1.00 0.00 C ATOM 976 C CYS A 139 -15.161 -6.497 1.000 1.00 0.00 C ATOM 977 O CYS A 139 -16.154 -6.434 1.726 1.00 0.00 O ATOM 978 CB CYS A 139 -13.202 -6.481 2.588 1.00 0.00 C ATOM 979 SG CYS A 139 -11.853 -5.500 3.361 1.00 0.00 S ATOM 0 H CYS A 139 -14.511 -4.233 2.610 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.171 -5.859 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.965 -6.685 3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.801 -7.444 2.271 1.00 0.00 H new ATOM 984 N VAL A 140 -15.153 -7.133 -0.160 1.00 0.00 N ATOM 985 CA VAL A 140 -16.324 -7.817 -0.682 1.00 0.00 C ATOM 986 C VAL A 140 -16.093 -9.320 -0.728 1.00 0.00 C ATOM 987 O VAL A 140 -14.962 -9.780 -0.592 1.00 0.00 O ATOM 988 CB VAL A 140 -16.688 -7.310 -2.103 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.019 -5.829 -2.079 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.553 -7.586 -3.086 1.00 0.00 C ATOM 0 H VAL A 140 -14.334 -7.189 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.153 -7.598 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.571 -7.854 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.271 -5.496 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.867 -5.656 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.157 -5.269 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.832 -7.222 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.650 -7.075 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.366 -8.659 -3.134 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.171 -10.072 -0.907 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.108 -11.532 -0.968 1.00 0.00 C ATOM 1002 C LEU A 141 -16.119 -11.984 -2.043 1.00 0.00 C ATOM 1003 O LEU A 141 -16.312 -11.723 -3.234 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.505 -12.103 -1.255 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.873 -13.405 -0.526 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.922 -14.535 -0.889 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.894 -13.180 0.982 1.00 0.00 C ATOM 0 H LEU A 141 -18.112 -9.692 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.761 -11.908 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.244 -11.345 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.590 -12.276 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 141 -19.871 -13.700 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -18.212 -15.440 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -17.966 -14.717 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -16.905 -14.259 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -19.156 -14.111 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -17.909 -12.853 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -19.632 -12.416 1.226 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.060 -12.650 -1.612 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.025 -13.120 -2.514 1.00 0.00 C ATOM 1021 C ASP A 142 -14.305 -14.527 -2.998 1.00 0.00 C ATOM 1022 O ASP A 142 -14.091 -15.502 -2.270 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.663 -13.072 -1.826 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.565 -13.715 -2.649 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.121 -13.109 -3.629 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.121 -14.830 -2.288 1.00 0.00 O ATOM 0 H ASP A 142 -14.895 -12.878 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.018 -12.459 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.399 -12.034 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.730 -13.576 -0.862 1.00 0.00 H new ATOM 1031 N ASN A 143 -14.808 -14.631 -4.205 1.00 0.00 N ATOM 1032 CA ASN A 143 -15.053 -15.921 -4.813 1.00 0.00 C ATOM 1033 C ASN A 143 -13.945 -16.232 -5.796 1.00 0.00 C ATOM 1034 O ASN A 143 -14.047 -15.804 -6.962 1.00 0.00 O ATOM 1035 CB ASN A 143 -16.412 -15.951 -5.523 1.00 0.00 C ATOM 1036 CG ASN A 143 -17.580 -15.824 -4.570 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -18.075 -16.820 -4.039 1.00 0.00 O ATOM 1038 ND2 ASN A 143 -18.037 -14.607 -4.352 1.00 0.00 N ATOM 1039 OXT ASN A 143 -12.957 -16.879 -5.398 1.00 0.00 O ATOM 0 H ASN A 143 -15.058 -13.834 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 143 -15.070 -16.677 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -16.454 -15.140 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -16.504 -16.883 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -18.828 -14.464 -3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -17.599 -13.808 -4.811 1.00 0.00 H new TER 1046 ASN A 143