USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 76 MET CE :methyl -169:sc= -0.0134 (180deg=-0.0669) USER MOD Set 1.2: A 91 THR OG1 : rot -170:sc= 0.179 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0.0277 K(o=0.028,f=-1.5!) USER MOD Single : A 5 THR OG1 : rot -158:sc= 1.23 USER MOD Single : A 9 CYS SG : rot 106:sc= 1.18 USER MOD Single : A 11 MET CE :methyl 167:sc= -0.192 (180deg=-0.537) USER MOD Single : A 12 ASN : amide:sc= 0.676 K(o=0.68,f=-0.022) USER MOD Single : A 13 MET CE :methyl -147:sc= -4.34! (180deg=-8.08!) USER MOD Single : A 25 TYR OH : rot 179:sc= 0.409 USER MOD Single : A 36 CYS SG : rot -77:sc= 0.649 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0126) USER MOD Single : A 44 SER OG : rot 24:sc= 0.748 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -69:sc= -0.114 USER MOD Single : A 68 SER OG : rot 11:sc= 0.458 USER MOD Single : A 72 CYS SG : rot 167:sc= 0.655 USER MOD Single : A 73 GLN : amide:sc= 0.795 K(o=0.8,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 80 THR OG1 : rot 18:sc= 0.942 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.26) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 94 CYS SG : rot -178:sc= -1.36 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -89:sc= 1.3 USER MOD Single : A 100 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.723 14.766 6.299 1.00 0.00 N ATOM 2 CA GLY A 1 16.440 14.282 5.119 1.00 0.00 C ATOM 3 C GLY A 1 15.826 14.851 3.860 1.00 0.00 C ATOM 4 O GLY A 1 16.009 16.037 3.591 1.00 0.00 O ATOM 0 H1 GLY A 1 16.156 14.367 7.156 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.776 15.804 6.336 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.727 14.472 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.490 14.568 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.408 13.193 5.087 1.00 0.00 H new ATOM 8 N GLY A 2 15.105 14.019 3.104 1.00 0.00 N ATOM 9 CA GLY A 2 14.471 14.392 1.847 1.00 0.00 C ATOM 10 C GLY A 2 13.229 15.244 2.073 1.00 0.00 C ATOM 11 O GLY A 2 12.798 15.455 3.211 1.00 0.00 O ATOM 0 H GLY A 2 14.945 13.045 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.182 14.942 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.199 13.492 1.295 1.00 0.00 H new ATOM 15 N HIS A 3 12.657 15.759 0.992 1.00 0.00 N ATOM 16 CA HIS A 3 11.516 16.671 0.982 1.00 0.00 C ATOM 17 C HIS A 3 10.195 15.889 0.981 1.00 0.00 C ATOM 18 O HIS A 3 10.184 14.713 0.618 1.00 0.00 O ATOM 19 CB HIS A 3 11.656 17.586 -0.251 1.00 0.00 C ATOM 20 CG HIS A 3 11.883 16.869 -1.565 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.086 16.374 -2.027 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.946 16.638 -2.536 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.875 15.847 -3.242 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.592 16.007 -3.604 1.00 0.00 N ATOM 0 H HIS A 3 12.991 15.543 0.053 1.00 0.00 H new ATOM 0 HA HIS A 3 11.503 17.284 1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.754 18.192 -0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.486 18.272 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.898 16.896 -2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.630 15.363 -3.844 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.170 15.723 -4.488 1.00 0.00 H new ATOM 32 N PRO A 4 9.074 16.532 1.356 1.00 0.00 N ATOM 33 CA PRO A 4 7.738 16.009 1.106 1.00 0.00 C ATOM 34 C PRO A 4 7.466 16.019 -0.396 1.00 0.00 C ATOM 35 O PRO A 4 7.943 16.908 -1.106 1.00 0.00 O ATOM 36 CB PRO A 4 6.775 16.951 1.831 1.00 0.00 C ATOM 37 CG PRO A 4 7.543 18.267 1.864 1.00 0.00 C ATOM 38 CD PRO A 4 8.998 17.838 1.983 1.00 0.00 C ATOM 0 HA PRO A 4 7.623 14.984 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.829 17.049 1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.541 16.595 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.372 18.852 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.239 18.886 2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.658 18.550 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.308 17.790 3.027 1.00 0.00 H new ATOM 46 N THR A 5 6.664 15.070 -0.854 1.00 0.00 N ATOM 47 CA THR A 5 6.419 14.749 -2.255 1.00 0.00 C ATOM 48 C THR A 5 4.919 14.446 -2.391 1.00 0.00 C ATOM 49 O THR A 5 4.234 14.289 -1.378 1.00 0.00 O ATOM 50 CB THR A 5 7.303 13.532 -2.620 1.00 0.00 C ATOM 51 OG1 THR A 5 7.062 12.505 -1.675 1.00 0.00 O ATOM 52 CG2 THR A 5 8.802 13.860 -2.607 1.00 0.00 C ATOM 0 H THR A 5 6.136 14.468 -0.223 1.00 0.00 H new ATOM 0 HA THR A 5 6.672 15.563 -2.934 1.00 0.00 H new ATOM 0 HB THR A 5 7.041 13.227 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.825 11.891 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.372 12.969 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.008 14.649 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.092 14.195 -1.611 1.00 0.00 H new ATOM 60 N GLU A 6 4.387 14.301 -3.606 1.00 0.00 N ATOM 61 CA GLU A 6 3.009 13.844 -3.841 1.00 0.00 C ATOM 62 C GLU A 6 2.849 12.343 -3.519 1.00 0.00 C ATOM 63 O GLU A 6 1.806 11.760 -3.819 1.00 0.00 O ATOM 64 CB GLU A 6 2.554 14.124 -5.292 1.00 0.00 C ATOM 65 CG GLU A 6 2.770 15.563 -5.757 1.00 0.00 C ATOM 66 CD GLU A 6 2.273 15.791 -7.183 1.00 0.00 C ATOM 67 OE1 GLU A 6 1.045 15.848 -7.403 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.121 16.003 -8.079 1.00 0.00 O ATOM 0 H GLU A 6 4.902 14.498 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 6 2.370 14.413 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.091 13.454 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.495 13.882 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.252 16.243 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.831 15.805 -5.701 1.00 0.00 H new ATOM 75 N VAL A 7 3.858 11.691 -2.935 1.00 0.00 N ATOM 76 CA VAL A 7 4.014 10.246 -2.890 1.00 0.00 C ATOM 77 C VAL A 7 4.263 9.841 -1.435 1.00 0.00 C ATOM 78 O VAL A 7 5.298 10.152 -0.843 1.00 0.00 O ATOM 79 CB VAL A 7 5.135 9.856 -3.872 1.00 0.00 C ATOM 80 CG1 VAL A 7 5.436 8.357 -3.861 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.736 10.238 -5.312 1.00 0.00 C ATOM 0 H VAL A 7 4.617 12.182 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 7 3.124 9.705 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 7 6.024 10.396 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.234 8.141 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.749 8.056 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.540 7.804 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.536 9.958 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.821 9.713 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.569 11.314 -5.370 1.00 0.00 H new ATOM 91 N LEU A 8 3.290 9.157 -0.840 1.00 0.00 N ATOM 92 CA LEU A 8 3.237 8.829 0.572 1.00 0.00 C ATOM 93 C LEU A 8 3.093 7.315 0.672 1.00 0.00 C ATOM 94 O LEU A 8 2.244 6.726 0.008 1.00 0.00 O ATOM 95 CB LEU A 8 2.049 9.578 1.200 1.00 0.00 C ATOM 96 CG LEU A 8 2.051 9.577 2.737 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.967 10.678 3.286 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.634 9.833 3.254 1.00 0.00 C ATOM 0 H LEU A 8 2.484 8.803 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 8 4.134 9.132 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.056 10.609 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.121 9.127 0.848 1.00 0.00 H new ATOM 0 HG LEU A 8 2.414 8.605 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.950 10.655 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.986 10.512 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.617 11.650 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.639 9.832 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.285 10.801 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.032 9.049 2.893 1.00 0.00 H new ATOM 110 N CYS A 9 3.932 6.668 1.472 1.00 0.00 N ATOM 111 CA CYS A 9 3.882 5.224 1.686 1.00 0.00 C ATOM 112 C CYS A 9 3.190 4.950 3.019 1.00 0.00 C ATOM 113 O CYS A 9 3.243 5.771 3.945 1.00 0.00 O ATOM 114 CB CYS A 9 5.298 4.656 1.558 1.00 0.00 C ATOM 115 SG CYS A 9 5.431 2.890 1.946 1.00 0.00 S ATOM 0 H CYS A 9 4.673 7.134 1.996 1.00 0.00 H new ATOM 0 HA CYS A 9 3.288 4.709 0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.652 4.820 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.961 5.213 2.220 1.00 0.00 H new ATOM 0 HG CYS A 9 5.584 2.214 0.846 1.00 0.00 H new ATOM 121 N LEU A 10 2.502 3.811 3.079 1.00 0.00 N ATOM 122 CA LEU A 10 1.486 3.476 4.054 1.00 0.00 C ATOM 123 C LEU A 10 1.773 2.072 4.584 1.00 0.00 C ATOM 124 O LEU A 10 1.571 1.069 3.887 1.00 0.00 O ATOM 125 CB LEU A 10 0.093 3.533 3.410 1.00 0.00 C ATOM 126 CG LEU A 10 -0.304 4.805 2.649 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.672 4.557 2.009 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.389 6.007 3.591 1.00 0.00 C ATOM 0 H LEU A 10 2.654 3.060 2.406 1.00 0.00 H new ATOM 0 HA LEU A 10 1.505 4.192 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.011 2.693 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.644 3.372 4.197 1.00 0.00 H new ATOM 0 HG LEU A 10 0.449 5.029 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.983 5.445 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.606 3.711 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.403 4.337 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.672 6.894 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.137 5.814 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.581 6.171 4.060 1.00 0.00 H new ATOM 140 N MET A 11 2.281 1.987 5.813 1.00 0.00 N ATOM 141 CA MET A 11 2.719 0.728 6.404 1.00 0.00 C ATOM 142 C MET A 11 1.655 0.161 7.345 1.00 0.00 C ATOM 143 O MET A 11 0.742 0.867 7.784 1.00 0.00 O ATOM 144 CB MET A 11 4.062 0.897 7.132 1.00 0.00 C ATOM 145 CG MET A 11 5.241 1.145 6.177 1.00 0.00 C ATOM 146 SD MET A 11 5.362 2.795 5.428 1.00 0.00 S ATOM 147 CE MET A 11 5.560 3.801 6.915 1.00 0.00 C ATOM 0 H MET A 11 2.400 2.793 6.427 1.00 0.00 H new ATOM 0 HA MET A 11 2.864 0.014 5.594 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.987 1.730 7.831 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.263 0.003 7.723 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.165 0.952 6.722 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.186 0.411 5.373 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.878 4.805 6.635 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.610 3.856 7.446 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.312 3.350 7.562 1.00 0.00 H new ATOM 157 N ASN A 12 1.833 -1.118 7.691 1.00 0.00 N ATOM 158 CA ASN A 12 0.956 -1.984 8.481 1.00 0.00 C ATOM 159 C ASN A 12 -0.414 -2.144 7.820 1.00 0.00 C ATOM 160 O ASN A 12 -1.430 -2.282 8.497 1.00 0.00 O ATOM 161 CB ASN A 12 0.834 -1.502 9.930 1.00 0.00 C ATOM 162 CG ASN A 12 2.129 -0.960 10.505 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.198 -1.560 10.378 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.069 0.212 11.103 1.00 0.00 N ATOM 0 H ASN A 12 2.672 -1.618 7.397 1.00 0.00 H new ATOM 0 HA ASN A 12 1.419 -2.970 8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.071 -0.725 9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.490 -2.329 10.551 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.918 0.640 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.174 0.691 11.197 1.00 0.00 H new ATOM 171 N MET A 13 -0.470 -2.045 6.496 1.00 0.00 N ATOM 172 CA MET A 13 -1.728 -1.935 5.781 1.00 0.00 C ATOM 173 C MET A 13 -2.344 -3.308 5.530 1.00 0.00 C ATOM 174 O MET A 13 -3.480 -3.546 5.928 1.00 0.00 O ATOM 175 CB MET A 13 -1.486 -1.155 4.491 1.00 0.00 C ATOM 176 CG MET A 13 -2.802 -0.638 3.916 1.00 0.00 C ATOM 177 SD MET A 13 -2.708 1.102 3.435 1.00 0.00 S ATOM 178 CE MET A 13 -2.363 1.779 5.071 1.00 0.00 C ATOM 0 H MET A 13 0.354 -2.039 5.894 1.00 0.00 H new ATOM 0 HA MET A 13 -2.455 -1.392 6.385 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.816 -0.318 4.687 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.991 -1.795 3.761 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.077 -1.238 3.048 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.593 -0.766 4.655 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.819 2.765 5.160 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.776 1.118 5.833 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.285 1.864 5.210 1.00 0.00 H new ATOM 188 N VAL A 14 -1.585 -4.189 4.880 1.00 0.00 N ATOM 189 CA VAL A 14 -2.018 -5.482 4.366 1.00 0.00 C ATOM 190 C VAL A 14 -0.894 -6.487 4.647 1.00 0.00 C ATOM 191 O VAL A 14 0.263 -6.095 4.852 1.00 0.00 O ATOM 192 CB VAL A 14 -2.359 -5.343 2.856 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.757 -4.742 2.662 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.347 -4.484 2.070 1.00 0.00 C ATOM 0 H VAL A 14 -0.600 -4.008 4.689 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.924 -5.841 4.853 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.317 -6.358 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.971 -4.655 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.499 -5.389 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.795 -3.754 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.649 -4.431 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.319 -3.479 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.357 -4.934 2.139 1.00 0.00 H new ATOM 204 N LEU A 15 -1.196 -7.782 4.702 1.00 0.00 N ATOM 205 CA LEU A 15 -0.218 -8.840 4.953 1.00 0.00 C ATOM 206 C LEU A 15 0.215 -9.481 3.630 1.00 0.00 C ATOM 207 O LEU A 15 -0.608 -9.633 2.722 1.00 0.00 O ATOM 208 CB LEU A 15 -0.811 -9.916 5.884 1.00 0.00 C ATOM 209 CG LEU A 15 -1.167 -9.450 7.310 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.752 -10.634 8.090 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.054 -8.893 8.055 1.00 0.00 C ATOM 0 H LEU A 15 -2.145 -8.133 4.571 1.00 0.00 H new ATOM 0 HA LEU A 15 0.651 -8.397 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.711 -10.316 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.098 -10.738 5.958 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.897 -8.645 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.007 -10.314 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.649 -10.994 7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.016 -11.437 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.243 -8.577 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.818 -9.667 8.131 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.455 -8.039 7.509 1.00 0.00 H new ATOM 223 N PRO A 16 1.456 -9.993 3.524 1.00 0.00 N ATOM 224 CA PRO A 16 1.924 -10.733 2.345 1.00 0.00 C ATOM 225 C PRO A 16 1.227 -12.096 2.177 1.00 0.00 C ATOM 226 O PRO A 16 1.546 -12.845 1.259 1.00 0.00 O ATOM 227 CB PRO A 16 3.435 -10.896 2.553 1.00 0.00 C ATOM 228 CG PRO A 16 3.565 -10.956 4.073 1.00 0.00 C ATOM 229 CD PRO A 16 2.508 -9.954 4.535 1.00 0.00 C ATOM 0 HA PRO A 16 1.688 -10.194 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.813 -11.802 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.993 -10.060 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.371 -11.957 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.564 -10.675 4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.117 -10.222 5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.930 -8.953 4.622 1.00 0.00 H new ATOM 237 N GLU A 17 0.294 -12.442 3.060 1.00 0.00 N ATOM 238 CA GLU A 17 -0.413 -13.713 3.106 1.00 0.00 C ATOM 239 C GLU A 17 -1.934 -13.507 3.127 1.00 0.00 C ATOM 240 O GLU A 17 -2.670 -14.460 3.364 1.00 0.00 O ATOM 241 CB GLU A 17 0.132 -14.556 4.269 1.00 0.00 C ATOM 242 CG GLU A 17 -0.080 -13.930 5.657 1.00 0.00 C ATOM 243 CD GLU A 17 0.627 -14.726 6.758 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.448 -15.964 6.819 1.00 0.00 O ATOM 245 OE2 GLU A 17 1.374 -14.109 7.553 1.00 0.00 O ATOM 0 H GLU A 17 -0.003 -11.807 3.801 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.228 -14.280 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.346 -15.535 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.199 -14.719 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.293 -12.906 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.147 -13.880 5.873 1.00 0.00 H new ATOM 252 N GLU A 18 -2.414 -12.288 2.849 1.00 0.00 N ATOM 253 CA GLU A 18 -3.826 -12.030 2.539 1.00 0.00 C ATOM 254 C GLU A 18 -3.990 -11.336 1.178 1.00 0.00 C ATOM 255 O GLU A 18 -5.080 -11.341 0.612 1.00 0.00 O ATOM 256 CB GLU A 18 -4.504 -11.289 3.708 1.00 0.00 C ATOM 257 CG GLU A 18 -4.146 -9.797 3.811 1.00 0.00 C ATOM 258 CD GLU A 18 -4.483 -9.182 5.178 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.369 -9.694 5.905 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.812 -8.196 5.557 1.00 0.00 O ATOM 0 H GLU A 18 -1.832 -11.450 2.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.348 -12.981 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.585 -11.384 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.230 -11.781 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.081 -9.672 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.678 -9.249 3.033 1.00 0.00 H new ATOM 267 N LEU A 19 -2.907 -10.795 0.605 1.00 0.00 N ATOM 268 CA LEU A 19 -2.880 -10.192 -0.727 1.00 0.00 C ATOM 269 C LEU A 19 -2.858 -11.275 -1.812 1.00 0.00 C ATOM 270 O LEU A 19 -1.850 -11.435 -2.502 1.00 0.00 O ATOM 271 CB LEU A 19 -1.625 -9.309 -0.856 1.00 0.00 C ATOM 272 CG LEU A 19 -1.681 -7.991 -0.086 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.260 -7.423 -0.018 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.608 -7.011 -0.812 1.00 0.00 C ATOM 0 H LEU A 19 -2.001 -10.766 1.072 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.778 -9.588 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.762 -9.878 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.460 -9.089 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.068 -8.150 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.271 -6.480 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.391 -8.131 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.113 -7.253 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.647 -6.071 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.228 -6.827 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.610 -7.436 -0.875 1.00 0.00 H new ATOM 286 N LEU A 20 -3.937 -12.042 -1.945 1.00 0.00 N ATOM 287 CA LEU A 20 -4.024 -13.144 -2.898 1.00 0.00 C ATOM 288 C LEU A 20 -5.322 -13.026 -3.697 1.00 0.00 C ATOM 289 O LEU A 20 -5.270 -12.972 -4.928 1.00 0.00 O ATOM 290 CB LEU A 20 -3.933 -14.512 -2.190 1.00 0.00 C ATOM 291 CG LEU A 20 -2.566 -15.001 -1.657 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.425 -14.899 -2.678 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.141 -14.337 -0.340 1.00 0.00 C ATOM 0 H LEU A 20 -4.783 -11.915 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.177 -13.081 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.624 -14.491 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.302 -15.266 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.743 -16.058 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.501 -15.261 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.664 -15.504 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.299 -13.859 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.173 -14.731 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.065 -13.259 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.883 -14.549 0.430 1.00 0.00 H new ATOM 305 N ASP A 21 -6.470 -12.997 -3.018 1.00 0.00 N ATOM 306 CA ASP A 21 -7.800 -13.044 -3.628 1.00 0.00 C ATOM 307 C ASP A 21 -8.019 -11.871 -4.577 1.00 0.00 C ATOM 308 O ASP A 21 -8.112 -10.726 -4.142 1.00 0.00 O ATOM 309 CB ASP A 21 -8.896 -13.070 -2.553 1.00 0.00 C ATOM 310 CG ASP A 21 -9.302 -14.499 -2.235 1.00 0.00 C ATOM 311 OD1 ASP A 21 -10.070 -15.096 -3.021 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.828 -15.055 -1.222 1.00 0.00 O ATOM 0 H ASP A 21 -6.501 -12.939 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.860 -13.965 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.537 -12.579 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.764 -12.508 -2.898 1.00 0.00 H new ATOM 317 N ASP A 22 -8.121 -12.166 -5.877 1.00 0.00 N ATOM 318 CA ASP A 22 -8.275 -11.184 -6.960 1.00 0.00 C ATOM 319 C ASP A 22 -9.561 -10.381 -6.841 1.00 0.00 C ATOM 320 O ASP A 22 -9.673 -9.305 -7.426 1.00 0.00 O ATOM 321 CB ASP A 22 -8.288 -11.883 -8.329 1.00 0.00 C ATOM 322 CG ASP A 22 -7.023 -12.675 -8.628 1.00 0.00 C ATOM 323 OD1 ASP A 22 -5.956 -12.060 -8.853 1.00 0.00 O ATOM 324 OD2 ASP A 22 -7.104 -13.923 -8.663 1.00 0.00 O ATOM 0 H ASP A 22 -8.098 -13.127 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.424 -10.508 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.145 -12.555 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.428 -11.133 -9.108 1.00 0.00 H new ATOM 329 N GLU A 23 -10.544 -10.925 -6.130 1.00 0.00 N ATOM 330 CA GLU A 23 -11.814 -10.283 -5.870 1.00 0.00 C ATOM 331 C GLU A 23 -11.680 -9.291 -4.717 1.00 0.00 C ATOM 332 O GLU A 23 -11.963 -8.114 -4.889 1.00 0.00 O ATOM 333 CB GLU A 23 -12.912 -11.341 -5.751 1.00 0.00 C ATOM 334 CG GLU A 23 -12.714 -12.295 -4.585 1.00 0.00 C ATOM 335 CD GLU A 23 -13.684 -13.474 -4.675 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.868 -13.318 -4.300 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.302 -14.541 -5.208 1.00 0.00 O ATOM 0 H GLU A 23 -10.470 -11.851 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.131 -9.661 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.875 -10.842 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.953 -11.915 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.688 -12.662 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.867 -11.764 -3.645 1.00 0.00 H new ATOM 344 N GLU A 24 -11.208 -9.750 -3.562 1.00 0.00 N ATOM 345 CA GLU A 24 -11.160 -9.026 -2.315 1.00 0.00 C ATOM 346 C GLU A 24 -10.194 -7.845 -2.419 1.00 0.00 C ATOM 347 O GLU A 24 -10.505 -6.752 -1.949 1.00 0.00 O ATOM 348 CB GLU A 24 -10.755 -10.100 -1.304 1.00 0.00 C ATOM 349 CG GLU A 24 -10.549 -9.597 0.107 1.00 0.00 C ATOM 350 CD GLU A 24 -10.110 -10.745 1.021 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.875 -11.730 1.174 1.00 0.00 O ATOM 352 OE2 GLU A 24 -8.971 -10.696 1.541 1.00 0.00 O ATOM 0 H GLU A 24 -10.829 -10.693 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.098 -8.557 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.522 -10.874 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.833 -10.571 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.796 -8.809 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.473 -9.157 0.482 1.00 0.00 H new ATOM 359 N TYR A 25 -9.060 -8.063 -3.088 1.00 0.00 N ATOM 360 CA TYR A 25 -8.018 -7.084 -3.326 1.00 0.00 C ATOM 361 C TYR A 25 -8.563 -5.766 -3.891 1.00 0.00 C ATOM 362 O TYR A 25 -8.107 -4.706 -3.457 1.00 0.00 O ATOM 363 CB TYR A 25 -6.984 -7.744 -4.254 1.00 0.00 C ATOM 364 CG TYR A 25 -5.996 -6.819 -4.933 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.378 -6.175 -6.123 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.692 -6.655 -4.431 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.473 -5.364 -6.822 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.764 -5.871 -5.145 1.00 0.00 C ATOM 369 CZ TYR A 25 -4.156 -5.216 -6.338 1.00 0.00 C ATOM 370 OH TYR A 25 -3.256 -4.490 -7.053 1.00 0.00 O ATOM 0 H TYR A 25 -8.841 -8.973 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.549 -6.798 -2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.422 -8.475 -3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.521 -8.295 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.380 -6.307 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.404 -7.127 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.782 -4.856 -7.724 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.752 -5.769 -4.782 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.400 -4.470 -6.577 1.00 0.00 H new ATOM 380 N GLU A 26 -9.486 -5.807 -4.860 1.00 0.00 N ATOM 381 CA GLU A 26 -9.981 -4.644 -5.576 1.00 0.00 C ATOM 382 C GLU A 26 -10.928 -3.858 -4.669 1.00 0.00 C ATOM 383 O GLU A 26 -10.837 -2.634 -4.591 1.00 0.00 O ATOM 384 CB GLU A 26 -10.706 -5.156 -6.830 1.00 0.00 C ATOM 385 CG GLU A 26 -9.850 -5.217 -8.110 1.00 0.00 C ATOM 386 CD GLU A 26 -9.414 -3.872 -8.706 1.00 0.00 C ATOM 387 OE1 GLU A 26 -8.559 -3.157 -8.133 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.805 -3.568 -9.860 1.00 0.00 O ATOM 0 H GLU A 26 -9.916 -6.679 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.171 -3.975 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.092 -6.154 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.566 -4.514 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.955 -5.801 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.411 -5.761 -8.870 1.00 0.00 H new ATOM 395 N GLU A 27 -11.812 -4.548 -3.946 1.00 0.00 N ATOM 396 CA GLU A 27 -12.800 -3.899 -3.088 1.00 0.00 C ATOM 397 C GLU A 27 -12.112 -3.120 -1.952 1.00 0.00 C ATOM 398 O GLU A 27 -12.646 -2.121 -1.459 1.00 0.00 O ATOM 399 CB GLU A 27 -13.785 -4.939 -2.530 1.00 0.00 C ATOM 400 CG GLU A 27 -14.345 -5.921 -3.575 1.00 0.00 C ATOM 401 CD GLU A 27 -14.909 -5.257 -4.836 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.810 -4.400 -4.699 1.00 0.00 O ATOM 403 OE2 GLU A 27 -14.545 -5.626 -5.981 1.00 0.00 O ATOM 0 H GLU A 27 -11.862 -5.567 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.362 -3.182 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.285 -5.509 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.618 -4.415 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.553 -6.611 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.132 -6.516 -3.111 1.00 0.00 H new ATOM 410 N ILE A 28 -10.916 -3.553 -1.542 1.00 0.00 N ATOM 411 CA ILE A 28 -10.111 -2.906 -0.510 1.00 0.00 C ATOM 412 C ILE A 28 -9.413 -1.653 -1.067 1.00 0.00 C ATOM 413 O ILE A 28 -9.101 -0.740 -0.298 1.00 0.00 O ATOM 414 CB ILE A 28 -9.132 -3.946 0.090 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.929 -5.042 0.843 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.133 -3.294 1.066 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.120 -6.312 1.126 1.00 0.00 C ATOM 0 H ILE A 28 -10.472 -4.385 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.746 -2.549 0.301 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.570 -4.383 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.287 -4.633 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.809 -5.306 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.464 -4.056 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.550 -2.539 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.678 -2.825 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.745 -7.031 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.784 -6.747 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.255 -6.063 1.740 1.00 0.00 H new ATOM 429 N VAL A 29 -9.167 -1.551 -2.380 1.00 0.00 N ATOM 430 CA VAL A 29 -8.685 -0.304 -2.979 1.00 0.00 C ATOM 431 C VAL A 29 -9.789 0.745 -2.823 1.00 0.00 C ATOM 432 O VAL A 29 -9.540 1.884 -2.433 1.00 0.00 O ATOM 433 CB VAL A 29 -8.325 -0.503 -4.471 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.848 0.798 -5.138 1.00 0.00 C ATOM 435 CG2 VAL A 29 -7.232 -1.558 -4.688 1.00 0.00 C ATOM 0 H VAL A 29 -9.294 -2.315 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.776 0.024 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.255 -0.841 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.608 0.604 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.637 1.547 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.960 1.166 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.024 -1.652 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.324 -1.254 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.570 -2.518 -4.298 1.00 0.00 H new ATOM 445 N GLU A 30 -11.013 0.355 -3.164 1.00 0.00 N ATOM 446 CA GLU A 30 -12.127 1.254 -3.411 1.00 0.00 C ATOM 447 C GLU A 30 -12.652 1.877 -2.126 1.00 0.00 C ATOM 448 O GLU A 30 -13.021 3.057 -2.097 1.00 0.00 O ATOM 449 CB GLU A 30 -13.209 0.444 -4.121 1.00 0.00 C ATOM 450 CG GLU A 30 -12.745 0.112 -5.541 1.00 0.00 C ATOM 451 CD GLU A 30 -12.906 1.311 -6.475 1.00 0.00 C ATOM 452 OE1 GLU A 30 -12.012 2.188 -6.533 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.939 1.408 -7.182 1.00 0.00 O ATOM 0 H GLU A 30 -11.261 -0.628 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.803 2.090 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.413 -0.474 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.140 1.010 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.700 -0.198 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.320 -0.730 -5.926 1.00 0.00 H new ATOM 460 N ASP A 31 -12.654 1.085 -1.062 1.00 0.00 N ATOM 461 CA ASP A 31 -12.982 1.521 0.293 1.00 0.00 C ATOM 462 C ASP A 31 -12.022 2.608 0.784 1.00 0.00 C ATOM 463 O ASP A 31 -12.437 3.611 1.369 1.00 0.00 O ATOM 464 CB ASP A 31 -12.935 0.301 1.214 1.00 0.00 C ATOM 465 CG ASP A 31 -13.506 0.592 2.598 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.560 1.261 2.703 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.937 0.046 3.572 1.00 0.00 O ATOM 0 H ASP A 31 -12.421 0.093 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.980 1.958 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.494 -0.516 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.903 -0.036 1.314 1.00 0.00 H new ATOM 472 N VAL A 32 -10.732 2.428 0.499 1.00 0.00 N ATOM 473 CA VAL A 32 -9.645 3.302 0.934 1.00 0.00 C ATOM 474 C VAL A 32 -9.544 4.540 0.033 1.00 0.00 C ATOM 475 O VAL A 32 -9.093 5.604 0.475 1.00 0.00 O ATOM 476 CB VAL A 32 -8.357 2.450 0.941 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.079 3.267 1.128 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.444 1.410 2.069 1.00 0.00 C ATOM 0 H VAL A 32 -10.405 1.641 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.822 3.693 1.936 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.294 1.979 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.217 2.600 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.986 3.988 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.122 3.797 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.537 0.806 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.550 1.920 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.307 0.765 1.904 1.00 0.00 H new ATOM 488 N ARG A 33 -9.969 4.442 -1.226 1.00 0.00 N ATOM 489 CA ARG A 33 -9.965 5.579 -2.140 1.00 0.00 C ATOM 490 C ARG A 33 -10.880 6.676 -1.607 1.00 0.00 C ATOM 491 O ARG A 33 -10.484 7.842 -1.596 1.00 0.00 O ATOM 492 CB ARG A 33 -10.334 5.114 -3.559 1.00 0.00 C ATOM 493 CG ARG A 33 -9.839 6.096 -4.631 1.00 0.00 C ATOM 494 CD ARG A 33 -10.080 5.520 -6.031 1.00 0.00 C ATOM 495 NE ARG A 33 -9.297 6.229 -7.059 1.00 0.00 N ATOM 496 CZ ARG A 33 -8.149 5.832 -7.627 1.00 0.00 C ATOM 497 NH1 ARG A 33 -7.646 4.619 -7.410 1.00 0.00 N ATOM 498 NH2 ARG A 33 -7.522 6.700 -8.410 1.00 0.00 N ATOM 0 H ARG A 33 -10.323 3.578 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.965 6.009 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.903 4.130 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.416 5.008 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.358 7.049 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.777 6.294 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.816 4.462 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.141 5.586 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.671 7.124 -7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.136 3.966 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.771 4.343 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.916 7.629 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.646 6.439 -8.862 1.00 0.00 H new ATOM 512 N ASP A 34 -12.070 6.306 -1.124 1.00 0.00 N ATOM 513 CA ASP A 34 -13.007 7.232 -0.487 1.00 0.00 C ATOM 514 C ASP A 34 -12.367 7.898 0.728 1.00 0.00 C ATOM 515 O ASP A 34 -12.370 9.127 0.814 1.00 0.00 O ATOM 516 CB ASP A 34 -14.296 6.514 -0.068 1.00 0.00 C ATOM 517 CG ASP A 34 -15.068 7.315 0.990 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.595 8.412 0.693 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.187 6.818 2.134 1.00 0.00 O ATOM 0 H ASP A 34 -12.412 5.346 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.260 7.999 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.928 6.360 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.052 5.528 0.327 1.00 0.00 H new ATOM 524 N GLU A 35 -11.811 7.111 1.658 1.00 0.00 N ATOM 525 CA GLU A 35 -11.380 7.643 2.951 1.00 0.00 C ATOM 526 C GLU A 35 -10.299 8.709 2.771 1.00 0.00 C ATOM 527 O GLU A 35 -10.228 9.691 3.511 1.00 0.00 O ATOM 528 CB GLU A 35 -10.923 6.513 3.894 1.00 0.00 C ATOM 529 CG GLU A 35 -9.416 6.198 3.940 1.00 0.00 C ATOM 530 CD GLU A 35 -9.167 5.183 5.066 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.968 5.641 6.222 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.282 3.956 4.856 1.00 0.00 O ATOM 0 H GLU A 35 -11.651 6.111 1.538 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.237 8.126 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.246 6.765 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.450 5.602 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.084 5.793 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.843 7.109 4.117 1.00 0.00 H new ATOM 539 N CYS A 36 -9.450 8.499 1.768 1.00 0.00 N ATOM 540 CA CYS A 36 -8.344 9.366 1.444 1.00 0.00 C ATOM 541 C CYS A 36 -8.864 10.623 0.732 1.00 0.00 C ATOM 542 O CYS A 36 -8.422 11.725 1.063 1.00 0.00 O ATOM 543 CB CYS A 36 -7.368 8.524 0.618 1.00 0.00 C ATOM 544 SG CYS A 36 -5.648 8.993 0.910 1.00 0.00 S ATOM 0 H CYS A 36 -9.524 7.694 1.146 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.817 9.741 2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.502 7.470 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.599 8.637 -0.441 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.380 10.087 0.261 1.00 0.00 H new ATOM 550 N SER A 37 -9.866 10.486 -0.154 1.00 0.00 N ATOM 551 CA SER A 37 -10.537 11.578 -0.868 1.00 0.00 C ATOM 552 C SER A 37 -11.030 12.676 0.091 1.00 0.00 C ATOM 553 O SER A 37 -11.170 13.840 -0.302 1.00 0.00 O ATOM 554 CB SER A 37 -11.691 10.996 -1.710 1.00 0.00 C ATOM 555 OG SER A 37 -12.074 11.831 -2.796 1.00 0.00 O ATOM 0 H SER A 37 -10.244 9.571 -0.400 1.00 0.00 H new ATOM 0 HA SER A 37 -9.818 12.058 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.393 10.022 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.554 10.832 -1.065 1.00 0.00 H new ATOM 0 HG SER A 37 -12.806 11.408 -3.291 1.00 0.00 H new ATOM 561 N LYS A 38 -11.284 12.351 1.361 1.00 0.00 N ATOM 562 CA LYS A 38 -11.698 13.317 2.376 1.00 0.00 C ATOM 563 C LYS A 38 -10.644 14.410 2.611 1.00 0.00 C ATOM 564 O LYS A 38 -11.001 15.549 2.914 1.00 0.00 O ATOM 565 CB LYS A 38 -12.002 12.570 3.682 1.00 0.00 C ATOM 566 CG LYS A 38 -13.025 11.440 3.492 1.00 0.00 C ATOM 567 CD LYS A 38 -13.488 10.865 4.835 1.00 0.00 C ATOM 568 CE LYS A 38 -14.664 9.914 4.598 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.168 9.346 5.861 1.00 0.00 N ATOM 0 H LYS A 38 -11.206 11.398 1.715 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.594 13.824 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.077 12.154 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.380 13.277 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.886 11.817 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.584 10.647 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.668 10.335 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.786 11.671 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.468 10.449 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.352 9.107 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.964 8.707 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.407 8.815 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.489 10.115 6.484 1.00 0.00 H new ATOM 583 N TYR A 39 -9.358 14.087 2.459 1.00 0.00 N ATOM 584 CA TYR A 39 -8.235 14.950 2.831 1.00 0.00 C ATOM 585 C TYR A 39 -7.656 15.705 1.636 1.00 0.00 C ATOM 586 O TYR A 39 -6.796 16.561 1.809 1.00 0.00 O ATOM 587 CB TYR A 39 -7.146 14.093 3.492 1.00 0.00 C ATOM 588 CG TYR A 39 -7.617 13.483 4.792 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.381 12.303 4.774 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.400 14.162 6.005 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.970 11.826 5.953 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.974 13.682 7.192 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.772 12.516 7.165 1.00 0.00 C ATOM 594 OH TYR A 39 -9.367 12.067 8.300 1.00 0.00 O ATOM 0 H TYR A 39 -9.061 13.195 2.064 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.605 15.702 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.844 13.300 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.265 14.707 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.515 11.762 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.791 15.054 6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.574 10.931 5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.806 14.202 8.124 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.129 12.654 9.048 1.00 0.00 H new ATOM 604 N GLY A 40 -8.096 15.380 0.427 1.00 0.00 N ATOM 605 CA GLY A 40 -7.495 15.785 -0.827 1.00 0.00 C ATOM 606 C GLY A 40 -7.463 14.574 -1.721 1.00 0.00 C ATOM 607 O GLY A 40 -7.948 13.504 -1.355 1.00 0.00 O ATOM 0 H GLY A 40 -8.923 14.798 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.071 16.587 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.488 16.169 -0.664 1.00 0.00 H new ATOM 611 N LEU A 41 -6.906 14.740 -2.910 1.00 0.00 N ATOM 612 CA LEU A 41 -7.188 13.816 -3.987 1.00 0.00 C ATOM 613 C LEU A 41 -6.051 12.837 -4.233 1.00 0.00 C ATOM 614 O LEU A 41 -4.939 13.235 -4.596 1.00 0.00 O ATOM 615 CB LEU A 41 -7.529 14.614 -5.215 1.00 0.00 C ATOM 616 CG LEU A 41 -7.780 13.710 -6.427 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.901 12.696 -6.185 1.00 0.00 C ATOM 618 CD2 LEU A 41 -8.220 14.622 -7.545 1.00 0.00 C ATOM 0 H LEU A 41 -6.265 15.497 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.038 13.192 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.415 15.218 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.715 15.304 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.872 13.148 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.035 12.083 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.638 12.058 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.829 13.225 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.415 14.032 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.129 15.146 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.434 15.348 -7.753 1.00 0.00 H new ATOM 630 N VAL A 42 -6.402 11.563 -4.106 1.00 0.00 N ATOM 631 CA VAL A 42 -5.600 10.391 -4.418 1.00 0.00 C ATOM 632 C VAL A 42 -5.644 10.165 -5.930 1.00 0.00 C ATOM 633 O VAL A 42 -6.679 10.324 -6.579 1.00 0.00 O ATOM 634 CB VAL A 42 -5.973 9.176 -3.517 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.470 8.891 -3.281 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.350 7.882 -4.055 1.00 0.00 C ATOM 0 H VAL A 42 -7.325 11.305 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.551 10.547 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.569 9.485 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.577 8.018 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.934 9.754 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.959 8.699 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.626 7.049 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.716 7.694 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.265 7.982 -4.075 1.00 0.00 H new ATOM 646 N LYS A 43 -4.486 9.865 -6.511 1.00 0.00 N ATOM 647 CA LYS A 43 -4.251 9.596 -7.919 1.00 0.00 C ATOM 648 C LYS A 43 -4.208 8.097 -8.153 1.00 0.00 C ATOM 649 O LYS A 43 -4.886 7.593 -9.048 1.00 0.00 O ATOM 650 CB LYS A 43 -2.918 10.248 -8.305 1.00 0.00 C ATOM 651 CG LYS A 43 -2.609 10.088 -9.792 1.00 0.00 C ATOM 652 CD LYS A 43 -1.424 10.968 -10.207 1.00 0.00 C ATOM 653 CE LYS A 43 -0.855 10.513 -11.553 1.00 0.00 C ATOM 654 NZ LYS A 43 -1.829 10.655 -12.653 1.00 0.00 N ATOM 0 H LYS A 43 -3.626 9.800 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.053 10.007 -8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.947 11.308 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.114 9.803 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.384 9.044 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.487 10.354 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.744 12.008 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.647 10.923 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.037 11.096 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.544 9.471 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.371 10.415 -13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.632 10.014 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.171 11.636 -12.689 1.00 0.00 H new ATOM 668 N SER A 44 -3.393 7.378 -7.390 1.00 0.00 N ATOM 669 CA SER A 44 -3.238 5.938 -7.529 1.00 0.00 C ATOM 670 C SER A 44 -2.840 5.314 -6.191 1.00 0.00 C ATOM 671 O SER A 44 -2.383 6.010 -5.281 1.00 0.00 O ATOM 672 CB SER A 44 -2.238 5.666 -8.658 1.00 0.00 C ATOM 673 OG SER A 44 -2.913 5.759 -9.906 1.00 0.00 O ATOM 0 H SER A 44 -2.817 7.783 -6.652 1.00 0.00 H new ATOM 0 HA SER A 44 -4.181 5.465 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.420 6.385 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.798 4.676 -8.541 1.00 0.00 H new ATOM 0 HG SER A 44 -3.707 6.325 -9.807 1.00 0.00 H new ATOM 679 N ILE A 45 -3.098 4.012 -6.062 1.00 0.00 N ATOM 680 CA ILE A 45 -3.048 3.211 -4.847 1.00 0.00 C ATOM 681 C ILE A 45 -2.368 1.923 -5.280 1.00 0.00 C ATOM 682 O ILE A 45 -2.980 0.990 -5.806 1.00 0.00 O ATOM 683 CB ILE A 45 -4.457 2.957 -4.272 1.00 0.00 C ATOM 684 CG1 ILE A 45 -5.114 4.274 -3.824 1.00 0.00 C ATOM 685 CG2 ILE A 45 -4.396 1.990 -3.077 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.633 4.169 -3.647 1.00 0.00 C ATOM 0 H ILE A 45 -3.368 3.450 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.509 3.710 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.057 2.510 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.667 4.592 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.894 5.049 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.402 1.827 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.973 1.039 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.770 2.418 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.030 5.133 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.091 3.881 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.860 3.417 -2.891 1.00 0.00 H new ATOM 698 N GLU A 46 -1.060 1.918 -5.124 1.00 0.00 N ATOM 699 CA GLU A 46 -0.198 0.864 -5.622 1.00 0.00 C ATOM 700 C GLU A 46 -0.090 -0.247 -4.575 1.00 0.00 C ATOM 701 O GLU A 46 0.466 -0.035 -3.495 1.00 0.00 O ATOM 702 CB GLU A 46 1.169 1.444 -6.006 1.00 0.00 C ATOM 703 CG GLU A 46 1.713 0.895 -7.330 1.00 0.00 C ATOM 704 CD GLU A 46 1.138 1.530 -8.603 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.180 2.340 -8.572 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.693 1.221 -9.684 1.00 0.00 O ATOM 0 H GLU A 46 -0.556 2.660 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.624 0.424 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.088 2.529 -6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.883 1.229 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.795 1.026 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.521 -0.177 -7.363 1.00 0.00 H new ATOM 713 N ILE A 47 -0.631 -1.427 -4.885 1.00 0.00 N ATOM 714 CA ILE A 47 -0.672 -2.592 -4.003 1.00 0.00 C ATOM 715 C ILE A 47 -0.003 -3.753 -4.749 1.00 0.00 C ATOM 716 O ILE A 47 -0.656 -4.482 -5.496 1.00 0.00 O ATOM 717 CB ILE A 47 -2.113 -2.939 -3.556 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.932 -1.679 -3.222 1.00 0.00 C ATOM 719 CG2 ILE A 47 -2.038 -3.925 -2.368 1.00 0.00 C ATOM 720 CD1 ILE A 47 -4.326 -1.989 -2.680 1.00 0.00 C ATOM 0 H ILE A 47 -1.068 -1.602 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.134 -2.380 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.642 -3.418 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.388 -1.085 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.027 -1.067 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.047 -4.179 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.518 -4.831 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.496 -3.461 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.849 -1.057 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.887 -2.557 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.239 -2.575 -1.765 1.00 0.00 H new ATOM 732 N PRO A 48 1.327 -3.895 -4.690 1.00 0.00 N ATOM 733 CA PRO A 48 1.998 -5.047 -5.272 1.00 0.00 C ATOM 734 C PRO A 48 1.735 -6.264 -4.373 1.00 0.00 C ATOM 735 O PRO A 48 1.596 -6.115 -3.156 1.00 0.00 O ATOM 736 CB PRO A 48 3.473 -4.659 -5.320 1.00 0.00 C ATOM 737 CG PRO A 48 3.609 -3.774 -4.087 1.00 0.00 C ATOM 738 CD PRO A 48 2.259 -3.075 -3.945 1.00 0.00 C ATOM 0 HA PRO A 48 1.649 -5.312 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.126 -5.531 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.724 -4.124 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.841 -4.366 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.416 -3.051 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.965 -2.996 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.297 -2.061 -4.343 1.00 0.00 H new ATOM 746 N ARG A 49 1.667 -7.474 -4.929 1.00 0.00 N ATOM 747 CA ARG A 49 1.360 -8.686 -4.174 1.00 0.00 C ATOM 748 C ARG A 49 2.262 -9.848 -4.612 1.00 0.00 C ATOM 749 O ARG A 49 2.825 -9.773 -5.709 1.00 0.00 O ATOM 750 CB ARG A 49 -0.123 -8.977 -4.400 1.00 0.00 C ATOM 751 CG ARG A 49 -0.440 -9.467 -5.814 1.00 0.00 C ATOM 752 CD ARG A 49 -1.917 -9.815 -5.863 1.00 0.00 C ATOM 753 NE ARG A 49 -2.136 -10.991 -6.705 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.368 -10.987 -8.016 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.358 -9.850 -8.705 1.00 0.00 N ATOM 756 NH2 ARG A 49 -2.626 -12.143 -8.605 1.00 0.00 N ATOM 0 H ARG A 49 1.825 -7.640 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 49 1.553 -8.554 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.451 -9.728 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.697 -8.072 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.204 -8.696 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.166 -10.338 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.285 -10.008 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.484 -8.970 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.108 -11.900 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.171 -8.967 -8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.537 -9.861 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.643 -13.003 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.808 -12.175 -9.608 1.00 0.00 H new ATOM 770 N PRO A 50 2.426 -10.910 -3.800 1.00 0.00 N ATOM 771 CA PRO A 50 3.299 -12.023 -4.152 1.00 0.00 C ATOM 772 C PRO A 50 2.758 -12.771 -5.363 1.00 0.00 C ATOM 773 O PRO A 50 1.566 -12.744 -5.675 1.00 0.00 O ATOM 774 CB PRO A 50 3.363 -12.922 -2.914 1.00 0.00 C ATOM 775 CG PRO A 50 2.017 -12.668 -2.248 1.00 0.00 C ATOM 776 CD PRO A 50 1.748 -11.194 -2.540 1.00 0.00 C ATOM 0 HA PRO A 50 4.295 -11.679 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.491 -13.971 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.195 -12.655 -2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.237 -13.308 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.056 -12.864 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.678 -11.000 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.129 -10.560 -1.739 1.00 0.00 H new ATOM 784 N VAL A 51 3.664 -13.475 -6.022 1.00 0.00 N ATOM 785 CA VAL A 51 3.420 -14.316 -7.185 1.00 0.00 C ATOM 786 C VAL A 51 3.741 -15.754 -6.793 1.00 0.00 C ATOM 787 O VAL A 51 4.342 -16.008 -5.749 1.00 0.00 O ATOM 788 CB VAL A 51 4.240 -13.833 -8.401 1.00 0.00 C ATOM 789 CG1 VAL A 51 3.614 -14.237 -9.746 1.00 0.00 C ATOM 790 CG2 VAL A 51 4.467 -12.313 -8.412 1.00 0.00 C ATOM 0 H VAL A 51 4.646 -13.476 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 51 2.376 -14.256 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 51 5.200 -14.335 -8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.236 -13.869 -10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.545 -15.323 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.616 -13.806 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.049 -12.038 -9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.505 -11.802 -8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.008 -12.019 -7.513 1.00 0.00 H new ATOM 800 N ASP A 52 3.318 -16.689 -7.631 1.00 0.00 N ATOM 801 CA ASP A 52 3.480 -18.125 -7.590 1.00 0.00 C ATOM 802 C ASP A 52 4.965 -18.388 -7.713 1.00 0.00 C ATOM 803 O ASP A 52 5.524 -18.538 -8.807 1.00 0.00 O ATOM 804 CB ASP A 52 2.778 -18.736 -8.807 1.00 0.00 C ATOM 805 CG ASP A 52 1.290 -19.007 -8.621 1.00 0.00 C ATOM 806 OD1 ASP A 52 0.646 -18.302 -7.822 1.00 0.00 O ATOM 807 OD2 ASP A 52 0.775 -19.922 -9.304 1.00 0.00 O ATOM 0 H ASP A 52 2.787 -16.417 -8.458 1.00 0.00 H new ATOM 0 HA ASP A 52 3.064 -18.550 -6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.907 -18.066 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.274 -19.673 -9.062 1.00 0.00 H new ATOM 812 N GLY A 53 5.612 -18.356 -6.567 1.00 0.00 N ATOM 813 CA GLY A 53 7.037 -18.543 -6.469 1.00 0.00 C ATOM 814 C GLY A 53 7.800 -17.375 -7.077 1.00 0.00 C ATOM 815 O GLY A 53 8.864 -17.606 -7.659 1.00 0.00 O ATOM 0 H GLY A 53 5.154 -18.197 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.318 -18.656 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.319 -19.466 -6.976 1.00 0.00 H new ATOM 819 N VAL A 54 7.277 -16.144 -7.008 1.00 0.00 N ATOM 820 CA VAL A 54 8.100 -14.973 -7.230 1.00 0.00 C ATOM 821 C VAL A 54 7.699 -13.937 -6.184 1.00 0.00 C ATOM 822 O VAL A 54 6.520 -13.616 -6.027 1.00 0.00 O ATOM 823 CB VAL A 54 7.936 -14.408 -8.655 1.00 0.00 C ATOM 824 CG1 VAL A 54 9.213 -13.671 -9.030 1.00 0.00 C ATOM 825 CG2 VAL A 54 7.575 -15.427 -9.743 1.00 0.00 C ATOM 0 H VAL A 54 6.298 -15.945 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 54 9.153 -15.239 -7.134 1.00 0.00 H new ATOM 0 HB VAL A 54 7.073 -13.744 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.116 -13.264 -10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.384 -12.858 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.055 -14.363 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.485 -14.918 -10.703 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.356 -16.185 -9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.627 -15.903 -9.495 1.00 0.00 H new ATOM 835 N GLU A 55 8.677 -13.403 -5.463 1.00 0.00 N ATOM 836 CA GLU A 55 8.490 -12.227 -4.638 1.00 0.00 C ATOM 837 C GLU A 55 8.285 -11.005 -5.536 1.00 0.00 C ATOM 838 O GLU A 55 8.532 -11.021 -6.745 1.00 0.00 O ATOM 839 CB GLU A 55 9.693 -11.974 -3.716 1.00 0.00 C ATOM 840 CG GLU A 55 10.244 -13.229 -3.034 1.00 0.00 C ATOM 841 CD GLU A 55 11.271 -13.913 -3.940 1.00 0.00 C ATOM 842 OE1 GLU A 55 12.390 -13.372 -4.071 1.00 0.00 O ATOM 843 OE2 GLU A 55 10.924 -14.898 -4.630 1.00 0.00 O ATOM 0 H GLU A 55 9.625 -13.779 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 55 7.614 -12.397 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.490 -11.512 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.402 -11.257 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.707 -12.962 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.429 -13.918 -2.810 1.00 0.00 H new ATOM 850 N VAL A 56 7.933 -9.898 -4.906 1.00 0.00 N ATOM 851 CA VAL A 56 7.925 -8.562 -5.466 1.00 0.00 C ATOM 852 C VAL A 56 8.709 -7.647 -4.523 1.00 0.00 C ATOM 853 O VAL A 56 8.622 -7.826 -3.303 1.00 0.00 O ATOM 854 CB VAL A 56 6.482 -8.074 -5.662 1.00 0.00 C ATOM 855 CG1 VAL A 56 6.009 -8.284 -7.108 1.00 0.00 C ATOM 856 CG2 VAL A 56 5.476 -8.729 -4.708 1.00 0.00 C ATOM 0 H VAL A 56 7.628 -9.911 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 56 8.398 -8.555 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 56 6.512 -7.009 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.984 -7.928 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.656 -7.729 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.051 -9.345 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.479 -8.336 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.478 -9.808 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.756 -8.510 -3.678 1.00 0.00 H new ATOM 866 N PRO A 57 9.461 -6.664 -5.049 1.00 0.00 N ATOM 867 CA PRO A 57 10.178 -5.727 -4.208 1.00 0.00 C ATOM 868 C PRO A 57 9.158 -4.837 -3.496 1.00 0.00 C ATOM 869 O PRO A 57 8.171 -4.392 -4.091 1.00 0.00 O ATOM 870 CB PRO A 57 11.102 -4.951 -5.150 1.00 0.00 C ATOM 871 CG PRO A 57 10.323 -4.944 -6.466 1.00 0.00 C ATOM 872 CD PRO A 57 9.604 -6.297 -6.453 1.00 0.00 C ATOM 0 HA PRO A 57 10.774 -6.199 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.292 -3.941 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.071 -5.438 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.618 -4.114 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.986 -4.848 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.631 -6.226 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.177 -7.048 -6.996 1.00 0.00 H new ATOM 880 N GLY A 58 9.395 -4.600 -2.211 1.00 0.00 N ATOM 881 CA GLY A 58 8.678 -3.620 -1.418 1.00 0.00 C ATOM 882 C GLY A 58 7.243 -4.051 -1.168 1.00 0.00 C ATOM 883 O GLY A 58 6.372 -3.195 -1.032 1.00 0.00 O ATOM 0 H GLY A 58 10.110 -5.099 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.188 -3.478 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.686 -2.658 -1.931 1.00 0.00 H new ATOM 887 N CYS A 59 6.990 -5.360 -1.129 1.00 0.00 N ATOM 888 CA CYS A 59 5.701 -5.976 -0.869 1.00 0.00 C ATOM 889 C CYS A 59 5.285 -5.763 0.592 1.00 0.00 C ATOM 890 O CYS A 59 6.148 -5.627 1.463 1.00 0.00 O ATOM 891 CB CYS A 59 5.845 -7.464 -1.195 1.00 0.00 C ATOM 892 SG CYS A 59 4.221 -8.256 -1.375 1.00 0.00 S ATOM 0 H CYS A 59 7.723 -6.051 -1.287 1.00 0.00 H new ATOM 0 HA CYS A 59 4.921 -5.527 -1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.415 -7.584 -2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.409 -7.959 -0.405 1.00 0.00 H new ATOM 0 HG CYS A 59 4.381 -9.516 -1.653 1.00 0.00 H new ATOM 898 N GLY A 60 3.980 -5.772 0.877 1.00 0.00 N ATOM 899 CA GLY A 60 3.404 -5.659 2.211 1.00 0.00 C ATOM 900 C GLY A 60 2.723 -4.323 2.493 1.00 0.00 C ATOM 901 O GLY A 60 1.985 -4.221 3.466 1.00 0.00 O ATOM 0 H GLY A 60 3.270 -5.862 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.677 -6.460 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.192 -5.814 2.948 1.00 0.00 H new ATOM 905 N LYS A 61 2.999 -3.268 1.724 1.00 0.00 N ATOM 906 CA LYS A 61 2.683 -1.871 2.060 1.00 0.00 C ATOM 907 C LYS A 61 2.097 -1.150 0.857 1.00 0.00 C ATOM 908 O LYS A 61 2.473 -1.433 -0.277 1.00 0.00 O ATOM 909 CB LYS A 61 3.935 -1.125 2.576 1.00 0.00 C ATOM 910 CG LYS A 61 5.213 -1.416 1.782 1.00 0.00 C ATOM 911 CD LYS A 61 6.053 -2.605 2.272 1.00 0.00 C ATOM 912 CE LYS A 61 7.087 -2.173 3.318 1.00 0.00 C ATOM 913 NZ LYS A 61 8.353 -2.924 3.170 1.00 0.00 N ATOM 0 H LYS A 61 3.463 -3.361 0.821 1.00 0.00 H new ATOM 0 HA LYS A 61 1.940 -1.879 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.741 -0.053 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.100 -1.394 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.939 -1.594 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.838 -0.523 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.397 -3.363 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.562 -3.065 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.282 -1.105 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.683 -2.332 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.031 -2.608 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.169 -3.941 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.750 -2.752 2.224 1.00 0.00 H new ATOM 927 N ILE A 62 1.201 -0.202 1.088 1.00 0.00 N ATOM 928 CA ILE A 62 0.534 0.486 -0.005 1.00 0.00 C ATOM 929 C ILE A 62 1.282 1.791 -0.220 1.00 0.00 C ATOM 930 O ILE A 62 1.781 2.413 0.723 1.00 0.00 O ATOM 931 CB ILE A 62 -0.969 0.627 0.294 1.00 0.00 C ATOM 932 CG1 ILE A 62 -1.534 -0.812 0.400 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.689 1.466 -0.775 1.00 0.00 C ATOM 934 CD1 ILE A 62 -3.052 -0.950 0.362 1.00 0.00 C ATOM 0 H ILE A 62 0.920 0.107 2.019 1.00 0.00 H new ATOM 0 HA ILE A 62 0.564 -0.070 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.132 1.166 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.117 -1.403 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.174 -1.252 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.748 1.541 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.253 2.464 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.578 0.988 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.324 -2.002 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.489 -0.396 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.430 -0.550 -0.579 1.00 0.00 H new ATOM 946 N PHE A 63 1.376 2.202 -1.475 1.00 0.00 N ATOM 947 CA PHE A 63 1.974 3.462 -1.874 1.00 0.00 C ATOM 948 C PHE A 63 0.830 4.280 -2.463 1.00 0.00 C ATOM 949 O PHE A 63 0.135 3.781 -3.352 1.00 0.00 O ATOM 950 CB PHE A 63 3.119 3.174 -2.854 1.00 0.00 C ATOM 951 CG PHE A 63 4.074 2.092 -2.396 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.160 2.403 -1.558 1.00 0.00 C ATOM 953 CD2 PHE A 63 3.837 0.755 -2.764 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.001 1.379 -1.091 1.00 0.00 C ATOM 955 CE2 PHE A 63 4.689 -0.261 -2.312 1.00 0.00 C ATOM 956 CZ PHE A 63 5.778 0.051 -1.487 1.00 0.00 C ATOM 0 H PHE A 63 1.029 1.653 -2.262 1.00 0.00 H new ATOM 0 HA PHE A 63 2.426 4.027 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.695 2.885 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.681 4.093 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.347 3.428 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.996 0.511 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.820 1.614 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.506 -1.286 -2.600 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.446 -0.731 -1.156 1.00 0.00 H new ATOM 966 N VAL A 64 0.575 5.481 -1.945 1.00 0.00 N ATOM 967 CA VAL A 64 -0.524 6.325 -2.392 1.00 0.00 C ATOM 968 C VAL A 64 0.090 7.539 -3.075 1.00 0.00 C ATOM 969 O VAL A 64 0.948 8.236 -2.517 1.00 0.00 O ATOM 970 CB VAL A 64 -1.537 6.610 -1.260 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.025 7.496 -0.116 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.811 7.233 -1.837 1.00 0.00 C ATOM 0 H VAL A 64 1.132 5.896 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.151 5.823 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.729 5.633 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.816 7.631 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.166 7.020 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.729 8.467 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.517 7.429 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.564 8.169 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.260 6.545 -2.553 1.00 0.00 H new ATOM 982 N GLU A 65 -0.241 7.718 -4.341 1.00 0.00 N ATOM 983 CA GLU A 65 0.133 8.867 -5.141 1.00 0.00 C ATOM 984 C GLU A 65 -1.041 9.841 -5.065 1.00 0.00 C ATOM 985 O GLU A 65 -2.197 9.408 -5.057 1.00 0.00 O ATOM 986 CB GLU A 65 0.432 8.350 -6.553 1.00 0.00 C ATOM 987 CG GLU A 65 1.024 9.402 -7.490 1.00 0.00 C ATOM 988 CD GLU A 65 1.344 8.839 -8.877 1.00 0.00 C ATOM 989 OE1 GLU A 65 0.435 8.289 -9.540 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.512 8.955 -9.317 1.00 0.00 O ATOM 0 H GLU A 65 -0.800 7.040 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 65 1.024 9.394 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.124 7.511 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.490 7.966 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.322 10.230 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.934 9.807 -7.047 1.00 0.00 H new ATOM 997 N PHE A 66 -0.760 11.137 -4.971 1.00 0.00 N ATOM 998 CA PHE A 66 -1.731 12.222 -4.863 1.00 0.00 C ATOM 999 C PHE A 66 -1.619 13.112 -6.105 1.00 0.00 C ATOM 1000 O PHE A 66 -1.009 12.728 -7.099 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.522 12.975 -3.532 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.409 12.521 -2.387 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -2.266 11.238 -1.829 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.344 13.413 -1.831 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.981 10.888 -0.673 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.055 13.071 -0.668 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.850 11.815 -0.076 1.00 0.00 C ATOM 0 H PHE A 66 0.202 11.477 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.752 11.841 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.481 12.864 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.693 14.038 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.604 10.520 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.517 14.369 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.863 9.905 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.754 13.770 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.362 11.561 0.841 1.00 0.00 H new ATOM 1017 N THR A 67 -2.268 14.275 -6.072 1.00 0.00 N ATOM 1018 CA THR A 67 -2.315 15.226 -7.180 1.00 0.00 C ATOM 1019 C THR A 67 -1.720 16.592 -6.809 1.00 0.00 C ATOM 1020 O THR A 67 -1.742 17.505 -7.638 1.00 0.00 O ATOM 1021 CB THR A 67 -3.774 15.358 -7.637 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.609 15.726 -6.552 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.341 14.052 -8.205 1.00 0.00 C ATOM 0 H THR A 67 -2.789 14.589 -5.253 1.00 0.00 H new ATOM 0 HA THR A 67 -1.698 14.849 -7.996 1.00 0.00 H new ATOM 0 HB THR A 67 -3.765 16.121 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.677 14.978 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.376 14.207 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.750 13.743 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.301 13.276 -7.441 1.00 0.00 H new ATOM 1031 N SER A 68 -1.260 16.748 -5.561 1.00 0.00 N ATOM 1032 CA SER A 68 -0.646 17.951 -5.034 1.00 0.00 C ATOM 1033 C SER A 68 0.174 17.586 -3.794 1.00 0.00 C ATOM 1034 O SER A 68 -0.250 16.734 -3.009 1.00 0.00 O ATOM 1035 CB SER A 68 -1.760 18.922 -4.617 1.00 0.00 C ATOM 1036 OG SER A 68 -2.473 19.477 -5.705 1.00 0.00 O ATOM 0 H SER A 68 -1.313 16.000 -4.869 1.00 0.00 H new ATOM 0 HA SER A 68 -0.003 18.408 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.460 18.398 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.323 19.731 -4.031 1.00 0.00 H new ATOM 0 HG SER A 68 -2.230 19.007 -6.530 1.00 0.00 H new ATOM 1042 N VAL A 69 1.295 18.281 -3.569 1.00 0.00 N ATOM 1043 CA VAL A 69 2.205 18.044 -2.442 1.00 0.00 C ATOM 1044 C VAL A 69 1.596 18.547 -1.124 1.00 0.00 C ATOM 1045 O VAL A 69 2.090 18.226 -0.046 1.00 0.00 O ATOM 1046 CB VAL A 69 3.587 18.690 -2.724 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.631 18.408 -1.626 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.183 18.164 -4.034 1.00 0.00 C ATOM 0 H VAL A 69 1.601 19.040 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 69 2.354 16.970 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 69 3.388 19.761 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.573 18.889 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.274 18.802 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.785 17.333 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.151 18.633 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.310 17.083 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.512 18.401 -4.860 1.00 0.00 H new ATOM 1058 N PHE A 70 0.531 19.347 -1.160 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.149 19.766 0.060 1.00 0.00 C ATOM 1060 C PHE A 70 -1.183 18.735 0.484 1.00 0.00 C ATOM 1061 O PHE A 70 -1.292 18.430 1.665 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.754 21.156 -0.138 1.00 0.00 C ATOM 1063 CG PHE A 70 0.264 22.220 0.209 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.229 22.618 -0.734 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.319 22.727 1.519 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.223 23.542 -0.375 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.313 23.652 1.874 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.264 24.066 0.928 1.00 0.00 C ATOM 0 H PHE A 70 0.123 19.716 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 70 0.573 19.833 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.079 21.276 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.638 21.269 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.205 22.212 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.404 22.404 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.959 23.851 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.346 24.047 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.024 24.784 1.200 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.929 18.179 -0.463 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.054 17.289 -0.197 1.00 0.00 C ATOM 1080 C ASP A 71 -2.588 16.017 0.511 1.00 0.00 C ATOM 1081 O ASP A 71 -3.249 15.535 1.432 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.766 16.978 -1.521 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.568 18.179 -2.016 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -3.954 19.245 -2.259 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.810 18.086 -2.088 1.00 0.00 O ATOM 0 H ASP A 71 -1.766 18.337 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.760 17.779 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.031 16.694 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.431 16.125 -1.387 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.416 15.506 0.136 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.813 14.352 0.781 1.00 0.00 C ATOM 1092 C CYS A 72 -0.365 14.699 2.206 1.00 0.00 C ATOM 1093 O CYS A 72 -0.504 13.879 3.111 1.00 0.00 O ATOM 1094 CB CYS A 72 0.365 13.855 -0.066 1.00 0.00 C ATOM 1095 SG CYS A 72 1.522 15.202 -0.388 1.00 0.00 S ATOM 0 H CYS A 72 -0.859 15.887 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.552 13.554 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.877 13.044 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.002 13.450 -1.009 1.00 0.00 H new ATOM 0 HG CYS A 72 2.630 14.718 -0.865 1.00 0.00 H new ATOM 1101 N GLN A 73 0.143 15.916 2.430 1.00 0.00 N ATOM 1102 CA GLN A 73 0.547 16.401 3.734 1.00 0.00 C ATOM 1103 C GLN A 73 -0.658 16.569 4.660 1.00 0.00 C ATOM 1104 O GLN A 73 -0.501 16.377 5.867 1.00 0.00 O ATOM 1105 CB GLN A 73 1.318 17.718 3.574 1.00 0.00 C ATOM 1106 CG GLN A 73 2.741 17.484 3.067 1.00 0.00 C ATOM 1107 CD GLN A 73 3.555 18.772 3.069 1.00 0.00 C ATOM 1108 OE1 GLN A 73 4.024 19.228 4.114 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.719 19.396 1.917 1.00 0.00 N ATOM 0 H GLN A 73 0.284 16.599 1.686 1.00 0.00 H new ATOM 0 HA GLN A 73 1.203 15.665 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.787 18.368 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.354 18.237 4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.234 16.740 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.706 17.077 2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.323 19.003 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.241 20.271 1.881 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.851 16.892 4.142 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.079 16.864 4.928 1.00 0.00 C ATOM 1120 C LYS A 74 -3.333 15.436 5.389 1.00 0.00 C ATOM 1121 O LYS A 74 -3.466 15.191 6.589 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.283 17.374 4.121 1.00 0.00 C ATOM 1123 CG LYS A 74 -4.112 18.784 3.548 1.00 0.00 C ATOM 1124 CD LYS A 74 -5.456 19.317 3.039 1.00 0.00 C ATOM 1125 CE LYS A 74 -5.313 20.757 2.559 1.00 0.00 C ATOM 1126 NZ LYS A 74 -6.567 21.254 1.959 1.00 0.00 N ATOM 0 H LYS A 74 -1.985 17.177 3.172 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.957 17.526 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.473 16.683 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.165 17.360 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.716 19.450 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.387 18.768 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.817 18.690 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.199 19.265 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.032 21.395 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.508 20.819 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.435 22.236 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.822 20.659 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.329 21.217 2.666 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.401 14.505 4.434 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.739 13.115 4.682 1.00 0.00 C ATOM 1142 C ALA A 75 -2.777 12.490 5.690 1.00 0.00 C ATOM 1143 O ALA A 75 -3.239 11.922 6.676 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.747 12.358 3.353 1.00 0.00 C ATOM 0 H ALA A 75 -3.218 14.707 3.451 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.734 13.053 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.000 11.313 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.486 12.802 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.760 12.419 2.893 1.00 0.00 H new ATOM 1150 N MET A 76 -1.462 12.666 5.509 1.00 0.00 N ATOM 1151 CA MET A 76 -0.407 12.096 6.328 1.00 0.00 C ATOM 1152 C MET A 76 -0.721 12.227 7.815 1.00 0.00 C ATOM 1153 O MET A 76 -0.748 11.226 8.536 1.00 0.00 O ATOM 1154 CB MET A 76 0.914 12.791 5.948 1.00 0.00 C ATOM 1155 CG MET A 76 1.973 12.669 7.043 1.00 0.00 C ATOM 1156 SD MET A 76 3.671 12.862 6.477 1.00 0.00 S ATOM 1157 CE MET A 76 4.260 11.294 7.124 1.00 0.00 C ATOM 0 H MET A 76 -1.097 13.239 4.748 1.00 0.00 H new ATOM 0 HA MET A 76 -0.321 11.026 6.139 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.298 12.356 5.025 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.722 13.845 5.748 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.772 13.419 7.808 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.872 11.694 7.519 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.348 11.263 7.068 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.947 11.188 8.163 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.843 10.477 6.534 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.902 13.465 8.270 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.165 13.791 9.663 1.00 0.00 C ATOM 1169 C GLN A 77 -2.630 13.553 10.046 1.00 0.00 C ATOM 1170 O GLN A 77 -2.906 13.135 11.173 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.666 15.205 9.968 1.00 0.00 C ATOM 1172 CG GLN A 77 -1.368 16.292 9.162 1.00 0.00 C ATOM 1173 CD GLN A 77 -0.577 17.594 9.226 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -0.527 18.251 10.258 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.021 18.020 8.124 1.00 0.00 N ATOM 0 H GLN A 77 -0.868 14.285 7.664 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.603 13.108 10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.803 15.407 11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.405 15.253 9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.474 15.974 8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.374 16.450 9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.027 17.464 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.530 18.904 8.129 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.571 13.760 9.119 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.996 13.534 9.323 1.00 0.00 C ATOM 1186 C GLY A 78 -5.321 12.069 9.613 1.00 0.00 C ATOM 1187 O GLY A 78 -6.240 11.771 10.375 1.00 0.00 O ATOM 0 H GLY A 78 -3.351 14.099 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.343 14.151 10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.542 13.855 8.436 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.547 11.153 9.025 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.799 9.718 8.997 1.00 0.00 C ATOM 1193 C LEU A 79 -3.687 8.947 9.712 1.00 0.00 C ATOM 1194 O LEU A 79 -3.634 7.717 9.634 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.982 9.244 7.545 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.263 9.778 6.873 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.202 9.517 5.368 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.510 9.108 7.468 1.00 0.00 C ATOM 0 H LEU A 79 -3.690 11.408 8.534 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.723 9.513 9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.118 9.557 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.001 8.154 7.528 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.329 10.851 7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.109 9.895 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.334 10.024 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.119 8.445 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.402 9.500 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.454 8.031 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.561 9.317 8.537 1.00 0.00 H new ATOM 1210 N THR A 80 -2.797 9.641 10.426 1.00 0.00 N ATOM 1211 CA THR A 80 -1.830 9.000 11.300 1.00 0.00 C ATOM 1212 C THR A 80 -2.583 8.128 12.307 1.00 0.00 C ATOM 1213 O THR A 80 -3.456 8.620 13.026 1.00 0.00 O ATOM 1214 CB THR A 80 -1.017 10.069 12.033 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.268 10.880 11.154 1.00 0.00 O ATOM 1216 CG2 THR A 80 -0.024 9.442 13.011 1.00 0.00 C ATOM 0 H THR A 80 -2.732 10.659 10.410 1.00 0.00 H new ATOM 0 HA THR A 80 -1.149 8.380 10.718 1.00 0.00 H new ATOM 0 HB THR A 80 -1.755 10.676 12.558 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.623 10.792 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.537 10.229 13.515 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.565 8.852 13.751 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.665 8.797 12.466 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.243 6.842 12.370 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.771 5.933 13.368 1.00 0.00 C ATOM 1226 C GLY A 81 -4.187 5.461 13.051 1.00 0.00 C ATOM 1227 O GLY A 81 -4.716 4.612 13.773 1.00 0.00 O ATOM 0 H GLY A 81 -1.588 6.405 11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.114 5.067 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.767 6.426 14.340 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.815 5.958 11.980 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.070 5.437 11.486 1.00 0.00 C ATOM 1233 C ARG A 82 -5.841 4.047 10.890 1.00 0.00 C ATOM 1234 O ARG A 82 -4.744 3.503 10.987 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.666 6.467 10.522 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.951 7.843 11.156 1.00 0.00 C ATOM 1237 CD ARG A 82 -7.860 7.827 12.398 1.00 0.00 C ATOM 1238 NE ARG A 82 -7.165 8.293 13.611 1.00 0.00 N ATOM 1239 CZ ARG A 82 -6.867 9.562 13.926 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -7.200 10.563 13.112 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -6.234 9.828 15.065 1.00 0.00 N ATOM 0 H ARG A 82 -4.453 6.741 11.435 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.805 5.292 12.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.981 6.601 9.684 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.595 6.069 10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.000 8.301 11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.408 8.483 10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.730 8.458 12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.230 6.815 12.561 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.881 7.577 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.687 10.368 12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.967 11.524 13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.977 9.068 15.695 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.005 10.792 15.308 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.872 3.405 10.350 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.917 1.981 10.057 1.00 0.00 C ATOM 1257 C LYS A 83 -7.480 1.772 8.663 1.00 0.00 C ATOM 1258 O LYS A 83 -8.694 1.795 8.485 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.755 1.283 11.134 1.00 0.00 C ATOM 1260 CG LYS A 83 -6.983 1.202 12.462 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.838 1.540 13.681 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.973 3.064 13.776 1.00 0.00 C ATOM 1263 NZ LYS A 83 -8.877 3.485 14.858 1.00 0.00 N ATOM 0 H LYS A 83 -7.735 3.886 10.095 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.918 1.546 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.688 1.826 11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.020 0.280 10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.579 0.196 12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.134 1.884 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.821 1.078 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.379 1.144 14.587 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.989 3.503 13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.343 3.452 12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.933 4.523 14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.825 3.090 14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.513 3.139 15.769 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.605 1.549 7.681 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.972 1.429 6.257 1.00 0.00 C ATOM 1279 C PHE A 84 -7.436 0.012 5.892 1.00 0.00 C ATOM 1280 O PHE A 84 -7.561 -0.334 4.719 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.735 1.817 5.425 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.610 3.282 5.035 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.007 4.322 5.899 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.101 3.604 3.763 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -5.931 5.659 5.467 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.022 4.937 3.335 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.456 5.966 4.178 1.00 0.00 C ATOM 0 H PHE A 84 -5.604 1.444 7.849 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.812 2.090 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.844 1.537 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.737 1.220 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.369 4.093 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.767 2.814 3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.239 6.455 6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.627 5.169 2.357 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.427 6.992 3.841 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.706 -0.791 6.910 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.355 -2.083 6.876 1.00 0.00 C ATOM 1299 C ALA A 85 -8.701 -2.373 8.324 1.00 0.00 C ATOM 1300 O ALA A 85 -9.847 -2.234 8.749 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.470 -3.172 6.245 1.00 0.00 C ATOM 0 H ALA A 85 -7.452 -0.527 7.862 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.242 -2.077 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.006 -4.121 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.225 -2.893 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.551 -3.274 6.823 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.681 -2.698 9.120 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.875 -3.167 10.489 1.00 0.00 C ATOM 1309 C ASN A 86 -6.753 -2.704 11.418 1.00 0.00 C ATOM 1310 O ASN A 86 -6.974 -2.484 12.608 1.00 0.00 O ATOM 1311 CB ASN A 86 -7.965 -4.706 10.450 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.086 -5.223 11.336 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -8.923 -5.356 12.543 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.229 -5.542 10.755 1.00 0.00 N ATOM 0 H ASN A 86 -6.703 -2.643 8.834 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.794 -2.742 10.893 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.130 -5.036 9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.017 -5.135 10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.000 -5.908 11.313 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.340 -5.422 9.748 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.542 -2.529 10.882 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.335 -2.256 11.664 1.00 0.00 C ATOM 1323 C ARG A 87 -3.975 -0.779 11.630 1.00 0.00 C ATOM 1324 O ARG A 87 -4.462 -0.026 10.793 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.175 -3.068 11.092 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.349 -4.574 11.289 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.121 -5.336 10.766 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.921 -6.591 11.509 1.00 0.00 N ATOM 1329 CZ ARG A 87 -2.519 -7.764 11.279 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -3.255 -7.975 10.195 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -2.374 -8.729 12.172 1.00 0.00 N ATOM 0 H ARG A 87 -5.371 -2.574 9.877 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.526 -2.537 12.700 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.079 -2.855 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.247 -2.750 11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.496 -4.793 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.243 -4.913 10.766 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.249 -5.554 9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.234 -4.710 10.858 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.255 -6.562 12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.377 -7.230 9.509 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.699 -8.882 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.817 -8.568 13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.820 -9.634 12.022 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.096 -0.373 12.541 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.691 1.013 12.739 1.00 0.00 C ATOM 1347 C VAL A 88 -1.750 1.443 11.614 1.00 0.00 C ATOM 1348 O VAL A 88 -0.620 0.966 11.523 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.021 1.158 14.118 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -1.618 2.604 14.403 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.972 0.706 15.240 1.00 0.00 C ATOM 0 H VAL A 88 -2.633 -1.019 13.180 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.565 1.664 12.712 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.131 0.529 14.095 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.149 2.664 15.385 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.913 2.942 13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.504 3.239 14.385 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.476 0.818 16.204 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.873 1.319 15.222 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.241 -0.339 15.090 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.212 2.346 10.762 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.480 2.895 9.640 1.00 0.00 C ATOM 1363 C VAL A 89 -0.394 3.841 10.142 1.00 0.00 C ATOM 1364 O VAL A 89 -0.646 4.722 10.969 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.482 3.607 8.714 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.835 4.292 7.508 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.497 2.579 8.198 1.00 0.00 C ATOM 0 H VAL A 89 -3.153 2.732 10.842 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.981 2.106 9.077 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.952 4.389 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.606 4.771 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.126 5.044 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.311 3.550 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.213 3.073 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.975 1.798 7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.026 2.135 9.041 1.00 0.00 H new ATOM 1377 N VAL A 90 0.799 3.696 9.571 1.00 0.00 N ATOM 1378 CA VAL A 90 1.886 4.657 9.676 1.00 0.00 C ATOM 1379 C VAL A 90 2.085 5.232 8.277 1.00 0.00 C ATOM 1380 O VAL A 90 1.963 4.508 7.286 1.00 0.00 O ATOM 1381 CB VAL A 90 3.151 3.968 10.221 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.355 4.922 10.255 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.913 3.417 11.634 1.00 0.00 C ATOM 0 H VAL A 90 1.040 2.881 9.006 1.00 0.00 H new ATOM 0 HA VAL A 90 1.661 5.462 10.376 1.00 0.00 H new ATOM 0 HB VAL A 90 3.374 3.147 9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.226 4.395 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.568 5.276 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.127 5.773 10.897 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.822 2.936 11.995 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.645 4.235 12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.102 2.689 11.609 1.00 0.00 H new ATOM 1393 N THR A 91 2.401 6.519 8.203 1.00 0.00 N ATOM 1394 CA THR A 91 2.576 7.276 6.974 1.00 0.00 C ATOM 1395 C THR A 91 4.059 7.669 6.858 1.00 0.00 C ATOM 1396 O THR A 91 4.720 7.892 7.878 1.00 0.00 O ATOM 1397 CB THR A 91 1.595 8.476 7.017 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.604 9.148 8.270 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.148 8.013 6.813 1.00 0.00 C ATOM 0 H THR A 91 2.548 7.087 9.037 1.00 0.00 H new ATOM 0 HA THR A 91 2.339 6.704 6.077 1.00 0.00 H new ATOM 0 HB THR A 91 1.931 9.142 6.222 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.868 9.794 8.300 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.518 8.875 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.056 7.522 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.124 7.312 7.602 1.00 0.00 H new ATOM 1407 N LYS A 92 4.620 7.749 5.643 1.00 0.00 N ATOM 1408 CA LYS A 92 5.943 8.343 5.408 1.00 0.00 C ATOM 1409 C LYS A 92 6.008 8.978 4.029 1.00 0.00 C ATOM 1410 O LYS A 92 5.364 8.481 3.109 1.00 0.00 O ATOM 1411 CB LYS A 92 7.070 7.314 5.603 1.00 0.00 C ATOM 1412 CG LYS A 92 7.227 6.187 4.570 1.00 0.00 C ATOM 1413 CD LYS A 92 8.216 6.448 3.417 1.00 0.00 C ATOM 1414 CE LYS A 92 9.653 6.724 3.900 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.543 7.174 2.808 1.00 0.00 N ATOM 0 H LYS A 92 4.169 7.404 4.796 1.00 0.00 H new ATOM 0 HA LYS A 92 6.093 9.127 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.013 7.860 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.929 6.850 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.543 5.285 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.247 5.979 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.223 5.585 2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.866 7.299 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.630 7.483 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.062 5.818 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.505 7.313 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.562 6.455 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.189 8.071 2.419 1.00 0.00 H new ATOM 1429 N TYR A 93 6.809 10.030 3.876 1.00 0.00 N ATOM 1430 CA TYR A 93 7.082 10.644 2.579 1.00 0.00 C ATOM 1431 C TYR A 93 8.020 9.727 1.822 1.00 0.00 C ATOM 1432 O TYR A 93 9.113 9.452 2.315 1.00 0.00 O ATOM 1433 CB TYR A 93 7.764 12.007 2.732 1.00 0.00 C ATOM 1434 CG TYR A 93 6.948 13.052 3.451 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.675 13.411 2.973 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.490 13.694 4.577 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.949 14.428 3.617 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.766 14.695 5.237 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.490 15.066 4.762 1.00 0.00 C ATOM 1440 OH TYR A 93 4.807 16.044 5.416 1.00 0.00 O ATOM 0 H TYR A 93 7.290 10.483 4.653 1.00 0.00 H new ATOM 0 HA TYR A 93 6.138 10.790 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.703 11.868 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.016 12.383 1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.257 12.907 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.470 13.414 4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.981 14.723 3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.183 15.181 6.107 1.00 0.00 H new ATOM 0 HH TYR A 93 5.337 16.361 6.177 1.00 0.00 H new ATOM 1450 N CYS A 94 7.596 9.215 0.675 1.00 0.00 N ATOM 1451 CA CYS A 94 8.460 8.495 -0.243 1.00 0.00 C ATOM 1452 C CYS A 94 9.149 9.483 -1.186 1.00 0.00 C ATOM 1453 O CYS A 94 9.008 10.702 -1.040 1.00 0.00 O ATOM 1454 CB CYS A 94 7.613 7.464 -0.993 1.00 0.00 C ATOM 1455 SG CYS A 94 7.906 5.833 -0.261 1.00 0.00 S ATOM 0 H CYS A 94 6.631 9.290 0.354 1.00 0.00 H new ATOM 0 HA CYS A 94 9.248 7.966 0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.556 7.723 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.875 7.457 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 94 7.225 4.937 -0.911 1.00 0.00 H new ATOM 1461 N ASP A 95 9.909 8.960 -2.146 1.00 0.00 N ATOM 1462 CA ASP A 95 10.299 9.726 -3.322 1.00 0.00 C ATOM 1463 C ASP A 95 9.394 9.280 -4.475 1.00 0.00 C ATOM 1464 O ASP A 95 9.081 8.087 -4.566 1.00 0.00 O ATOM 1465 CB ASP A 95 11.757 9.482 -3.728 1.00 0.00 C ATOM 1466 CG ASP A 95 12.810 9.916 -2.709 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.588 10.855 -1.910 1.00 0.00 O ATOM 1468 OD2 ASP A 95 13.926 9.346 -2.750 1.00 0.00 O ATOM 0 H ASP A 95 10.267 8.005 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 95 10.198 10.787 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.887 8.418 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.947 10.006 -4.665 1.00 0.00 H new ATOM 1473 N PRO A 96 9.010 10.185 -5.388 1.00 0.00 N ATOM 1474 CA PRO A 96 8.262 9.855 -6.593 1.00 0.00 C ATOM 1475 C PRO A 96 9.109 9.044 -7.571 1.00 0.00 C ATOM 1476 O PRO A 96 8.560 8.202 -8.277 1.00 0.00 O ATOM 1477 CB PRO A 96 7.813 11.195 -7.190 1.00 0.00 C ATOM 1478 CG PRO A 96 8.818 12.198 -6.636 1.00 0.00 C ATOM 1479 CD PRO A 96 9.219 11.612 -5.295 1.00 0.00 C ATOM 0 HA PRO A 96 7.402 9.224 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.830 11.173 -8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.794 11.444 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.678 12.308 -7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.374 13.187 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.262 11.837 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.620 12.040 -4.491 1.00 0.00 H new ATOM 1487 N ASP A 97 10.436 9.230 -7.555 1.00 0.00 N ATOM 1488 CA ASP A 97 11.395 8.454 -8.349 1.00 0.00 C ATOM 1489 C ASP A 97 11.102 6.966 -8.235 1.00 0.00 C ATOM 1490 O ASP A 97 11.094 6.241 -9.231 1.00 0.00 O ATOM 1491 CB ASP A 97 12.830 8.650 -7.843 1.00 0.00 C ATOM 1492 CG ASP A 97 13.838 8.486 -8.981 1.00 0.00 C ATOM 1493 OD1 ASP A 97 13.896 9.359 -9.879 1.00 0.00 O ATOM 1494 OD2 ASP A 97 14.571 7.470 -9.008 1.00 0.00 O ATOM 0 H ASP A 97 10.882 9.941 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 97 11.298 8.804 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.932 9.642 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.044 7.927 -7.056 1.00 0.00 H new ATOM 1499 N SER A 98 10.858 6.526 -6.996 1.00 0.00 N ATOM 1500 CA SER A 98 10.675 5.137 -6.656 1.00 0.00 C ATOM 1501 C SER A 98 9.181 4.770 -6.536 1.00 0.00 C ATOM 1502 O SER A 98 8.858 3.693 -6.020 1.00 0.00 O ATOM 1503 CB SER A 98 11.540 4.742 -5.449 1.00 0.00 C ATOM 1504 OG SER A 98 11.830 5.805 -4.553 1.00 0.00 O ATOM 0 H SER A 98 10.783 7.151 -6.193 1.00 0.00 H new ATOM 0 HA SER A 98 11.040 4.522 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.032 3.950 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.479 4.326 -5.813 1.00 0.00 H new ATOM 0 HG SER A 98 12.381 5.470 -3.815 1.00 0.00 H new ATOM 1510 N TYR A 99 8.265 5.615 -7.031 1.00 0.00 N ATOM 1511 CA TYR A 99 6.868 5.270 -7.302 1.00 0.00 C ATOM 1512 C TYR A 99 6.645 5.081 -8.802 1.00 0.00 C ATOM 1513 O TYR A 99 5.932 4.160 -9.195 1.00 0.00 O ATOM 1514 CB TYR A 99 5.925 6.361 -6.785 1.00 0.00 C ATOM 1515 CG TYR A 99 4.458 5.985 -6.904 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.845 5.225 -5.893 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.707 6.367 -8.031 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.498 4.837 -6.019 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.381 5.924 -8.187 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.772 5.134 -7.191 1.00 0.00 C ATOM 1521 OH TYR A 99 0.477 4.729 -7.319 1.00 0.00 O ATOM 0 H TYR A 99 8.485 6.584 -7.259 1.00 0.00 H new ATOM 0 HA TYR A 99 6.650 4.337 -6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.157 6.569 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.104 7.281 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.409 4.938 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.151 7.004 -8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.016 4.307 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.827 6.191 -9.075 1.00 0.00 H new ATOM 0 HH TYR A 99 0.452 3.829 -7.706 1.00 0.00 H new ATOM 1531 N HIS A 100 7.269 5.932 -9.625 1.00 0.00 N ATOM 1532 CA HIS A 100 7.113 5.983 -11.077 1.00 0.00 C ATOM 1533 C HIS A 100 7.476 4.674 -11.787 1.00 0.00 C ATOM 1534 O HIS A 100 7.177 4.514 -12.975 1.00 0.00 O ATOM 1535 CB HIS A 100 8.023 7.087 -11.632 1.00 0.00 C ATOM 1536 CG HIS A 100 7.706 8.503 -11.217 1.00 0.00 C ATOM 1537 ND1 HIS A 100 8.580 9.560 -11.326 1.00 0.00 N ATOM 1538 CD2 HIS A 100 6.515 8.993 -10.751 1.00 0.00 C ATOM 1539 CE1 HIS A 100 7.932 10.664 -10.933 1.00 0.00 C ATOM 1540 NE2 HIS A 100 6.666 10.376 -10.577 1.00 0.00 N ATOM 0 H HIS A 100 7.924 6.633 -9.279 1.00 0.00 H new ATOM 0 HA HIS A 100 6.057 6.174 -11.267 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.047 6.866 -11.331 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.993 7.037 -12.720 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.622 8.419 -10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.366 11.652 -10.905 1.00 0.00 H new ATOM 0 HE2 HIS A 100 5.958 11.032 -10.247 1.00 0.00 H new ATOM 1548 N ARG A 101 8.168 3.763 -11.109 1.00 0.00 N ATOM 1549 CA ARG A 101 8.805 2.576 -11.654 1.00 0.00 C ATOM 1550 C ARG A 101 8.386 1.368 -10.824 1.00 0.00 C ATOM 1551 O ARG A 101 7.409 1.427 -10.076 1.00 0.00 O ATOM 1552 CB ARG A 101 10.326 2.806 -11.690 1.00 0.00 C ATOM 1553 CG ARG A 101 10.706 3.878 -12.721 1.00 0.00 C ATOM 1554 CD ARG A 101 12.127 3.627 -13.223 1.00 0.00 C ATOM 1555 NE ARG A 101 12.647 4.791 -13.949 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.954 5.019 -14.108 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.839 4.032 -14.015 1.00 0.00 N ATOM 1558 NH2 ARG A 101 14.381 6.252 -14.334 1.00 0.00 N ATOM 0 H ARG A 101 8.305 3.842 -10.101 1.00 0.00 H new ATOM 0 HA ARG A 101 8.490 2.377 -12.678 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.673 3.110 -10.702 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.831 1.871 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.006 3.858 -13.556 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.638 4.869 -12.272 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.779 3.401 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.136 2.754 -13.876 1.00 0.00 H new ATOM 0 HE ARG A 101 11.983 5.454 -14.349 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.524 3.082 -13.819 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.833 4.225 -14.139 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.713 7.021 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.377 6.432 -14.456 1.00 0.00 H new ATOM 1572 N ARG A 102 9.105 0.256 -10.950 1.00 0.00 N ATOM 1573 CA ARG A 102 8.944 -0.953 -10.156 1.00 0.00 C ATOM 1574 C ARG A 102 10.069 -1.091 -9.109 1.00 0.00 C ATOM 1575 O ARG A 102 10.577 -2.193 -8.903 1.00 0.00 O ATOM 1576 CB ARG A 102 8.834 -2.126 -11.147 1.00 0.00 C ATOM 1577 CG ARG A 102 7.976 -3.282 -10.623 1.00 0.00 C ATOM 1578 CD ARG A 102 6.547 -3.045 -11.118 1.00 0.00 C ATOM 1579 NE ARG A 102 5.521 -3.732 -10.322 1.00 0.00 N ATOM 1580 CZ ARG A 102 4.758 -4.760 -10.699 1.00 0.00 C ATOM 1581 NH1 ARG A 102 5.015 -5.484 -11.781 1.00 0.00 N ATOM 1582 NH2 ARG A 102 3.698 -5.058 -9.964 1.00 0.00 N ATOM 0 H ARG A 102 9.850 0.172 -11.642 1.00 0.00 H new ATOM 0 HA ARG A 102 8.037 -0.929 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.410 -1.763 -12.083 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.834 -2.497 -11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.355 -4.238 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.005 -3.320 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.343 -1.974 -11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.472 -3.376 -12.154 1.00 0.00 H new ATOM 0 HE ARG A 102 5.375 -3.384 -9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.823 -5.263 -12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.404 -6.262 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.482 -4.507 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.097 -5.839 -10.229 1.00 0.00 H new ATOM 1596 N ASP A 103 10.497 0.014 -8.485 1.00 0.00 N ATOM 1597 CA ASP A 103 11.676 0.133 -7.608 1.00 0.00 C ATOM 1598 C ASP A 103 11.343 0.171 -6.112 1.00 0.00 C ATOM 1599 O ASP A 103 12.099 0.708 -5.305 1.00 0.00 O ATOM 1600 CB ASP A 103 12.504 1.388 -7.969 1.00 0.00 C ATOM 1601 CG ASP A 103 13.958 1.252 -7.482 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.585 0.229 -7.855 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.476 2.146 -6.773 1.00 0.00 O ATOM 0 H ASP A 103 10.004 0.901 -8.582 1.00 0.00 H new ATOM 0 HA ASP A 103 12.254 -0.774 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.491 1.538 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.048 2.270 -7.520 1.00 0.00 H new ATOM 1608 N PHE A 104 10.172 -0.323 -5.723 1.00 0.00 N ATOM 1609 CA PHE A 104 9.652 -0.171 -4.362 1.00 0.00 C ATOM 1610 C PHE A 104 10.613 -0.809 -3.352 1.00 0.00 C ATOM 1611 O PHE A 104 10.799 -2.026 -3.352 1.00 0.00 O ATOM 1612 CB PHE A 104 8.230 -0.737 -4.240 1.00 0.00 C ATOM 1613 CG PHE A 104 7.384 -0.516 -5.474 1.00 0.00 C ATOM 1614 CD1 PHE A 104 6.876 0.760 -5.786 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.208 -1.583 -6.372 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.211 0.970 -7.008 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.549 -1.369 -7.588 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.056 -0.095 -7.914 1.00 0.00 C ATOM 0 H PHE A 104 9.552 -0.843 -6.343 1.00 0.00 H new ATOM 0 HA PHE A 104 9.585 0.893 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.289 -1.806 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.737 -0.277 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.997 1.576 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.581 -2.566 -6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.820 1.947 -7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.419 -2.188 -8.280 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.559 0.067 -8.859 1.00 0.00 H new ATOM 1628 N TRP A 105 11.247 0.008 -2.509 1.00 0.00 N ATOM 1629 CA TRP A 105 12.045 -0.470 -1.392 1.00 0.00 C ATOM 1630 C TRP A 105 11.161 -0.359 -0.170 1.00 0.00 C ATOM 1631 O TRP A 105 11.014 0.734 0.414 1.00 0.00 O ATOM 1632 CB TRP A 105 13.372 0.301 -1.279 1.00 0.00 C ATOM 1633 CG TRP A 105 14.519 -0.322 -2.022 1.00 0.00 C ATOM 1634 CD1 TRP A 105 14.438 -0.931 -3.228 1.00 0.00 C ATOM 1635 CD2 TRP A 105 15.914 -0.461 -1.606 1.00 0.00 C ATOM 1636 NE1 TRP A 105 15.660 -1.483 -3.555 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.599 -1.256 -2.572 1.00 0.00 C ATOM 1638 CE3 TRP A 105 16.670 -0.021 -0.498 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 17.941 -1.636 -2.418 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 18.036 -0.340 -0.367 1.00 0.00 C ATOM 1641 CH2 TRP A 105 18.674 -1.150 -1.322 1.00 0.00 C ATOM 0 H TRP A 105 11.217 1.025 -2.587 1.00 0.00 H new ATOM 0 HA TRP A 105 12.356 -1.507 -1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 105 13.222 1.314 -1.651 1.00 0.00 H new ATOM 0 HB3 TRP A 105 13.640 0.385 -0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 105 13.551 -0.978 -3.842 1.00 0.00 H new ATOM 0 HE1 TRP A 105 15.845 -1.995 -4.417 1.00 0.00 H new ATOM 0 HE3 TRP A 105 16.191 0.573 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 18.406 -2.296 -3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 18.597 0.041 0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 105 19.720 -1.397 -1.214 1.00 0.00 H new TER 1652 TRP A 105