USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ 150:sc= -4.53! (180deg=-2.39!) USER MOD Set 1.2: A 105 GLN : amide:sc= -3.21! K(o=-7.7!,f=-5.9) USER MOD Set 2.1: A 51 THR OG1 : rot 177:sc= -1.73 USER MOD Set 2.2: A 97 MET CE :methyl 136:sc= -8.66! (180deg=-12.2!) USER MOD Set 3.1: A 59 MET CE :methyl -139:sc= -12.2! (180deg=-4.88!) USER MOD Set 3.2: A 88 MET CE :methyl 172:sc= -12.6! (180deg=-11.8!) USER MOD Set 3.3: B 72 THR OG1 : rot 78:sc= -8.9! USER MOD Set 4.1: A 28 THR OG1 : rot -159:sc= -4.87! USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 3 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-5.1!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 19 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -77:sc= 0.144 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -1.88! K(o=-1.9!,f=-0.84) USER MOD Single : A 43 SER OG : rot -138:sc= -1.26 USER MOD Single : A 44 THR OG1 : rot 35:sc= -0.0368 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.777 K(o=-0.78,f=-8.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -51:sc= -9.32! USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.407 (180deg=-1.01) USER MOD Single : A 58 MET CE :methyl -179:sc= -1.93 (180deg=-1.94) USER MOD Single : A 87 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.24) USER MOD Single : A 90 SER OG : rot 180:sc= -0.174 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0846 K(o=-0.085,f=0.42) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -108:sc= 1.08 USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= -0.606 (180deg=-0.943) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.230 -14.264 3.514 1.00 0.00 N ATOM 29 CA HIS A 3 1.695 -13.692 2.252 1.00 0.00 C ATOM 30 C HIS A 3 0.590 -13.696 1.209 1.00 0.00 C ATOM 31 O HIS A 3 0.129 -12.644 0.768 1.00 0.00 O ATOM 32 CB HIS A 3 2.914 -14.456 1.729 1.00 0.00 C ATOM 33 CG HIS A 3 3.961 -14.699 2.772 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.111 -15.420 2.531 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.027 -14.310 4.068 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.839 -15.465 3.633 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.204 -14.799 4.579 1.00 0.00 N ATOM 0 HA HIS A 3 1.983 -12.658 2.443 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.586 -15.414 1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.357 -13.897 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.291 -13.725 4.600 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.792 -15.962 3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.534 -14.669 5.535 1.00 0.00 H new ATOM 46 N SER A 4 0.168 -14.884 0.821 1.00 0.00 N ATOM 47 CA SER A 4 -0.890 -15.021 -0.169 1.00 0.00 C ATOM 48 C SER A 4 -2.241 -14.695 0.448 1.00 0.00 C ATOM 49 O SER A 4 -2.580 -15.173 1.530 1.00 0.00 O ATOM 50 CB SER A 4 -0.918 -16.426 -0.768 1.00 0.00 C ATOM 51 OG SER A 4 -1.262 -17.393 0.210 1.00 0.00 O ATOM 0 H SER A 4 0.538 -15.767 1.173 1.00 0.00 H new ATOM 0 HA SER A 4 -0.682 -14.314 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.637 -16.461 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.058 -16.664 -1.191 1.00 0.00 H new ATOM 0 HG SER A 4 -1.274 -18.283 -0.200 1.00 0.00 H new ATOM 57 N GLY A 5 -2.999 -13.874 -0.254 1.00 0.00 N ATOM 58 CA GLY A 5 -4.307 -13.472 0.212 1.00 0.00 C ATOM 59 C GLY A 5 -5.132 -12.902 -0.915 1.00 0.00 C ATOM 60 O GLY A 5 -4.669 -12.846 -2.051 1.00 0.00 O ATOM 0 H GLY A 5 -2.728 -13.473 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.821 -14.329 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.203 -12.729 1.003 1.00 0.00 H new ATOM 64 N ALA A 6 -6.350 -12.481 -0.619 1.00 0.00 N ATOM 65 CA ALA A 6 -7.209 -11.917 -1.647 1.00 0.00 C ATOM 66 C ALA A 6 -7.333 -10.409 -1.493 1.00 0.00 C ATOM 67 O ALA A 6 -7.425 -9.890 -0.382 1.00 0.00 O ATOM 68 CB ALA A 6 -8.578 -12.573 -1.624 1.00 0.00 C ATOM 0 H ALA A 6 -6.763 -12.518 0.313 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.748 -12.118 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.204 -12.135 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.472 -13.643 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.042 -12.412 -0.651 1.00 0.00 H new ATOM 74 N ALA A 7 -7.330 -9.716 -2.622 1.00 0.00 N ATOM 75 CA ALA A 7 -7.439 -8.264 -2.632 1.00 0.00 C ATOM 76 C ALA A 7 -8.084 -7.783 -3.921 1.00 0.00 C ATOM 77 O ALA A 7 -8.127 -8.513 -4.911 1.00 0.00 O ATOM 78 CB ALA A 7 -6.069 -7.630 -2.452 1.00 0.00 C ATOM 0 H ALA A 7 -7.253 -10.138 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.074 -7.961 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.166 -6.544 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.643 -7.948 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.414 -7.943 -3.265 1.00 0.00 H new ATOM 84 N ILE A 8 -8.593 -6.557 -3.909 1.00 0.00 N ATOM 85 CA ILE A 8 -9.236 -6.007 -5.089 1.00 0.00 C ATOM 86 C ILE A 8 -8.710 -4.618 -5.426 1.00 0.00 C ATOM 87 O ILE A 8 -8.391 -3.825 -4.541 1.00 0.00 O ATOM 88 CB ILE A 8 -10.763 -5.941 -4.914 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.328 -7.338 -4.681 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.401 -5.311 -6.140 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.478 -7.365 -3.701 1.00 0.00 C ATOM 0 H ILE A 8 -8.572 -5.933 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.997 -6.680 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.992 -5.325 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.662 -7.750 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.533 -7.987 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.482 -5.269 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.012 -4.302 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.167 -5.910 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.831 -8.389 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.143 -6.983 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.290 -6.742 -4.076 1.00 0.00 H new ATOM 103 N PHE A 9 -8.631 -4.337 -6.721 1.00 0.00 N ATOM 104 CA PHE A 9 -8.153 -3.048 -7.201 1.00 0.00 C ATOM 105 C PHE A 9 -8.961 -2.595 -8.415 1.00 0.00 C ATOM 106 O PHE A 9 -9.247 -3.388 -9.313 1.00 0.00 O ATOM 107 CB PHE A 9 -6.668 -3.132 -7.556 1.00 0.00 C ATOM 108 CG PHE A 9 -6.100 -1.838 -8.058 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.259 -1.469 -9.382 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.409 -0.991 -7.206 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.739 -0.277 -9.851 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.887 0.203 -7.668 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.051 0.560 -8.992 1.00 0.00 C ATOM 0 H PHE A 9 -8.894 -4.989 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.283 -2.314 -6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.109 -3.448 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.527 -3.901 -8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.795 -2.120 -10.057 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.277 -1.267 -6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.870 -0.000 -10.887 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.352 0.856 -6.994 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.643 1.491 -9.356 1.00 0.00 H new ATOM 123 N GLU A 10 -9.332 -1.317 -8.433 1.00 0.00 N ATOM 124 CA GLU A 10 -10.114 -0.754 -9.530 1.00 0.00 C ATOM 125 C GLU A 10 -11.295 -1.649 -9.891 1.00 0.00 C ATOM 126 O GLU A 10 -11.570 -1.896 -11.066 1.00 0.00 O ATOM 127 CB GLU A 10 -9.231 -0.517 -10.754 1.00 0.00 C ATOM 128 CG GLU A 10 -8.835 0.937 -10.922 1.00 0.00 C ATOM 129 CD GLU A 10 -7.844 1.148 -12.050 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.798 0.300 -12.966 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.114 2.161 -12.017 1.00 0.00 O ATOM 0 H GLU A 10 -9.102 -0.650 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.512 0.204 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.331 -1.126 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.759 -0.850 -11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.728 1.533 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.402 1.301 -9.990 1.00 0.00 H new ATOM 138 N LYS A 11 -12.000 -2.121 -8.870 1.00 0.00 N ATOM 139 CA LYS A 11 -13.164 -2.976 -9.071 1.00 0.00 C ATOM 140 C LYS A 11 -12.779 -4.313 -9.700 1.00 0.00 C ATOM 141 O LYS A 11 -13.639 -5.044 -10.191 1.00 0.00 O ATOM 142 CB LYS A 11 -14.199 -2.267 -9.949 1.00 0.00 C ATOM 143 CG LYS A 11 -14.322 -0.775 -9.673 1.00 0.00 C ATOM 144 CD LYS A 11 -15.125 -0.507 -8.411 1.00 0.00 C ATOM 145 CE LYS A 11 -14.862 0.889 -7.869 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.495 1.941 -8.712 1.00 0.00 N ATOM 0 H LYS A 11 -11.785 -1.926 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.597 -3.177 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.934 -2.412 -10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.171 -2.736 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.328 -0.339 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.801 -0.285 -10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.188 -0.622 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.870 -1.247 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.244 0.961 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.787 1.062 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.292 2.878 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.112 1.889 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.524 1.791 -8.740 1.00 0.00 H new ATOM 160 N VAL A 12 -11.489 -4.640 -9.672 1.00 0.00 N ATOM 161 CA VAL A 12 -11.012 -5.899 -10.229 1.00 0.00 C ATOM 162 C VAL A 12 -10.424 -6.761 -9.124 1.00 0.00 C ATOM 163 O VAL A 12 -9.452 -6.372 -8.480 1.00 0.00 O ATOM 164 CB VAL A 12 -9.948 -5.677 -11.321 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.726 -6.955 -12.116 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.352 -4.533 -12.240 1.00 0.00 C ATOM 0 H VAL A 12 -10.759 -4.051 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.866 -6.401 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.009 -5.408 -10.837 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.971 -6.780 -12.883 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.387 -7.746 -11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.661 -7.256 -12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.587 -4.393 -13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.303 -4.768 -12.718 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.455 -3.617 -11.658 1.00 0.00 H new ATOM 176 N SER A 13 -11.026 -7.922 -8.889 1.00 0.00 N ATOM 177 CA SER A 13 -10.556 -8.810 -7.837 1.00 0.00 C ATOM 178 C SER A 13 -9.427 -9.708 -8.314 1.00 0.00 C ATOM 179 O SER A 13 -9.254 -9.936 -9.511 1.00 0.00 O ATOM 180 CB SER A 13 -11.704 -9.655 -7.287 1.00 0.00 C ATOM 181 OG SER A 13 -12.961 -9.136 -7.685 1.00 0.00 O ATOM 0 H SER A 13 -11.833 -8.266 -9.409 1.00 0.00 H new ATOM 0 HA SER A 13 -10.165 -8.180 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.604 -10.682 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.648 -9.684 -6.199 1.00 0.00 H new ATOM 0 HG SER A 13 -13.677 -9.697 -7.320 1.00 0.00 H new ATOM 187 N GLY A 14 -8.651 -10.189 -7.351 1.00 0.00 N ATOM 188 CA GLY A 14 -7.516 -11.039 -7.642 1.00 0.00 C ATOM 189 C GLY A 14 -6.858 -11.542 -6.376 1.00 0.00 C ATOM 190 O GLY A 14 -7.325 -11.251 -5.274 1.00 0.00 O ATOM 0 H GLY A 14 -8.793 -10.001 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.841 -11.887 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.789 -10.485 -8.236 1.00 0.00 H new ATOM 194 N ILE A 15 -5.775 -12.293 -6.521 1.00 0.00 N ATOM 195 CA ILE A 15 -5.068 -12.820 -5.362 1.00 0.00 C ATOM 196 C ILE A 15 -3.758 -12.074 -5.174 1.00 0.00 C ATOM 197 O ILE A 15 -3.026 -11.815 -6.129 1.00 0.00 O ATOM 198 CB ILE A 15 -4.775 -14.331 -5.491 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.957 -15.053 -6.143 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.471 -14.933 -4.123 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.717 -16.532 -6.359 1.00 0.00 C ATOM 0 H ILE A 15 -5.370 -12.549 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.716 -12.677 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.900 -14.460 -6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.841 -14.924 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.174 -14.584 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.267 -15.998 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.600 -14.438 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.329 -14.793 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.595 -16.979 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.853 -16.669 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.530 -17.014 -5.400 1.00 0.00 H new ATOM 213 N ILE A 16 -3.493 -11.704 -3.931 1.00 0.00 N ATOM 214 CA ILE A 16 -2.301 -10.951 -3.583 1.00 0.00 C ATOM 215 C ILE A 16 -1.280 -11.846 -2.881 1.00 0.00 C ATOM 216 O ILE A 16 -1.583 -12.471 -1.867 1.00 0.00 O ATOM 217 CB ILE A 16 -2.683 -9.768 -2.670 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.452 -8.964 -2.260 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.441 -10.258 -1.443 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.766 -7.510 -1.990 1.00 0.00 C ATOM 0 H ILE A 16 -4.097 -11.917 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.849 -10.571 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.338 -9.107 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.014 -9.409 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.702 -9.029 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.701 -9.408 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.351 -10.768 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.814 -10.949 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.853 -6.988 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.177 -7.053 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.494 -7.439 -1.182 1.00 0.00 H new ATOM 232 N ALA A 17 -0.075 -11.929 -3.444 1.00 0.00 N ATOM 233 CA ALA A 17 0.970 -12.779 -2.874 1.00 0.00 C ATOM 234 C ALA A 17 2.309 -12.056 -2.735 1.00 0.00 C ATOM 235 O ALA A 17 2.750 -11.359 -3.648 1.00 0.00 O ATOM 236 CB ALA A 17 1.146 -14.019 -3.733 1.00 0.00 C ATOM 0 H ALA A 17 0.200 -11.423 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 17 0.647 -13.055 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.925 -14.650 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.208 -14.574 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.431 -13.724 -4.743 1.00 0.00 H new ATOM 242 N ILE A 18 2.960 -12.259 -1.590 1.00 0.00 N ATOM 243 CA ILE A 18 4.265 -11.660 -1.319 1.00 0.00 C ATOM 244 C ILE A 18 5.382 -12.650 -1.648 1.00 0.00 C ATOM 245 O ILE A 18 5.236 -13.856 -1.449 1.00 0.00 O ATOM 246 CB ILE A 18 4.391 -11.218 0.156 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.451 -10.046 0.437 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.827 -10.833 0.488 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.815 -10.099 1.807 1.00 0.00 C ATOM 0 H ILE A 18 2.601 -12.838 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 18 4.357 -10.778 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 18 4.109 -12.059 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.006 -9.113 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.666 -10.031 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.889 -10.526 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.481 -11.689 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.140 -10.008 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.161 -9.237 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.232 -11.015 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.593 -10.083 2.570 1.00 0.00 H new ATOM 261 N ASN A 19 6.490 -12.130 -2.156 1.00 0.00 N ATOM 262 CA ASN A 19 7.636 -12.956 -2.522 1.00 0.00 C ATOM 263 C ASN A 19 8.878 -12.533 -1.759 1.00 0.00 C ATOM 264 O ASN A 19 9.429 -11.458 -1.994 1.00 0.00 O ATOM 265 CB ASN A 19 7.895 -12.864 -4.027 1.00 0.00 C ATOM 266 CG ASN A 19 6.735 -13.395 -4.847 1.00 0.00 C ATOM 267 OD1 ASN A 19 6.787 -14.510 -5.366 1.00 0.00 O ATOM 268 ND2 ASN A 19 5.681 -12.597 -4.968 1.00 0.00 N ATOM 0 H ASN A 19 6.622 -11.133 -2.326 1.00 0.00 H new ATOM 0 HA ASN A 19 7.405 -13.988 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.082 -11.825 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.797 -13.425 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.871 -12.900 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.681 -11.680 -4.521 1.00 0.00 H new ATOM 275 N GLU A 20 9.324 -13.400 -0.857 1.00 0.00 N ATOM 276 CA GLU A 20 10.517 -13.136 -0.068 1.00 0.00 C ATOM 277 C GLU A 20 11.647 -14.047 -0.518 1.00 0.00 C ATOM 278 O GLU A 20 12.535 -14.397 0.260 1.00 0.00 O ATOM 279 CB GLU A 20 10.235 -13.333 1.423 1.00 0.00 C ATOM 280 CG GLU A 20 11.186 -12.568 2.328 1.00 0.00 C ATOM 281 CD GLU A 20 11.611 -13.373 3.541 1.00 0.00 C ATOM 282 OE1 GLU A 20 12.348 -14.366 3.366 1.00 0.00 O ATOM 283 OE2 GLU A 20 11.206 -13.010 4.665 1.00 0.00 O ATOM 0 H GLU A 20 8.875 -14.293 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 20 10.814 -12.099 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.213 -13.019 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.298 -14.395 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.070 -12.280 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.706 -11.647 2.658 1.00 0.00 H new ATOM 290 N ASP A 21 11.598 -14.418 -1.788 1.00 0.00 N ATOM 291 CA ASP A 21 12.608 -15.286 -2.379 1.00 0.00 C ATOM 292 C ASP A 21 13.611 -14.469 -3.185 1.00 0.00 C ATOM 293 O ASP A 21 14.759 -14.877 -3.364 1.00 0.00 O ATOM 294 CB ASP A 21 11.950 -16.337 -3.274 1.00 0.00 C ATOM 295 CG ASP A 21 12.951 -17.327 -3.837 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.269 -18.311 -3.137 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.416 -17.118 -4.976 1.00 0.00 O ATOM 0 H ASP A 21 10.864 -14.129 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 21 13.138 -15.792 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.194 -16.875 -2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.434 -15.839 -4.095 1.00 0.00 H new ATOM 302 N VAL A 22 13.173 -13.308 -3.664 1.00 0.00 N ATOM 303 CA VAL A 22 14.041 -12.430 -4.445 1.00 0.00 C ATOM 304 C VAL A 22 14.625 -11.331 -3.563 1.00 0.00 C ATOM 305 O VAL A 22 14.173 -11.126 -2.436 1.00 0.00 O ATOM 306 CB VAL A 22 13.301 -11.781 -5.640 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.757 -12.402 -6.952 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.789 -11.897 -5.491 1.00 0.00 C ATOM 0 H VAL A 22 12.226 -12.954 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 22 14.841 -13.055 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 22 13.553 -10.721 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.226 -11.933 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.829 -12.248 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.543 -13.471 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.302 -11.431 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.508 -12.949 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.474 -11.394 -4.577 1.00 0.00 H new ATOM 318 N SER A 23 15.632 -10.623 -4.075 1.00 0.00 N ATOM 319 CA SER A 23 16.266 -9.547 -3.316 1.00 0.00 C ATOM 320 C SER A 23 15.210 -8.606 -2.736 1.00 0.00 C ATOM 321 O SER A 23 14.990 -8.591 -1.525 1.00 0.00 O ATOM 322 CB SER A 23 17.253 -8.774 -4.190 1.00 0.00 C ATOM 323 OG SER A 23 18.578 -9.237 -3.997 1.00 0.00 O ATOM 0 H SER A 23 16.023 -10.774 -5.005 1.00 0.00 H new ATOM 0 HA SER A 23 16.821 -9.993 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.976 -8.882 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.198 -7.711 -3.953 1.00 0.00 H new ATOM 0 HG SER A 23 19.189 -8.727 -4.569 1.00 0.00 H new ATOM 329 N PRO A 24 14.518 -7.823 -3.587 1.00 0.00 N ATOM 330 CA PRO A 24 13.474 -6.917 -3.126 1.00 0.00 C ATOM 331 C PRO A 24 12.173 -7.660 -2.890 1.00 0.00 C ATOM 332 O PRO A 24 11.330 -7.743 -3.781 1.00 0.00 O ATOM 333 CB PRO A 24 13.311 -5.947 -4.286 1.00 0.00 C ATOM 334 CG PRO A 24 13.638 -6.761 -5.492 1.00 0.00 C ATOM 335 CD PRO A 24 14.672 -7.772 -5.056 1.00 0.00 C ATOM 0 HA PRO A 24 13.728 -6.433 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.296 -5.552 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.981 -5.093 -4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.748 -7.258 -5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.025 -6.131 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.495 -8.747 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.678 -7.464 -5.342 1.00 0.00 H new ATOM 343 N ALA A 25 12.017 -8.204 -1.690 1.00 0.00 N ATOM 344 CA ALA A 25 10.810 -8.947 -1.344 1.00 0.00 C ATOM 345 C ALA A 25 9.591 -8.191 -1.826 1.00 0.00 C ATOM 346 O ALA A 25 9.159 -7.232 -1.200 1.00 0.00 O ATOM 347 CB ALA A 25 10.726 -9.192 0.149 1.00 0.00 C ATOM 0 H ALA A 25 12.708 -8.146 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 25 10.849 -9.919 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.816 -9.748 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.593 -9.768 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.708 -8.237 0.674 1.00 0.00 H new ATOM 353 N GLU A 26 9.074 -8.610 -2.967 1.00 0.00 N ATOM 354 CA GLU A 26 7.933 -7.946 -3.581 1.00 0.00 C ATOM 355 C GLU A 26 6.705 -8.844 -3.621 1.00 0.00 C ATOM 356 O GLU A 26 6.789 -10.031 -3.326 1.00 0.00 O ATOM 357 CB GLU A 26 8.308 -7.472 -4.981 1.00 0.00 C ATOM 358 CG GLU A 26 9.108 -8.486 -5.783 1.00 0.00 C ATOM 359 CD GLU A 26 9.520 -7.958 -7.143 1.00 0.00 C ATOM 360 OE1 GLU A 26 8.665 -7.932 -8.053 1.00 0.00 O ATOM 361 OE2 GLU A 26 10.698 -7.572 -7.299 1.00 0.00 O ATOM 0 H GLU A 26 9.427 -9.411 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 26 7.672 -7.083 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.397 -7.229 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.886 -6.551 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.999 -8.767 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.514 -9.391 -5.913 1.00 0.00 H new ATOM 368 N LEU A 27 5.560 -8.266 -3.979 1.00 0.00 N ATOM 369 CA LEU A 27 4.321 -9.008 -4.039 1.00 0.00 C ATOM 370 C LEU A 27 3.565 -8.657 -5.303 1.00 0.00 C ATOM 371 O LEU A 27 3.555 -7.501 -5.726 1.00 0.00 O ATOM 372 CB LEU A 27 3.455 -8.699 -2.811 1.00 0.00 C ATOM 373 CG LEU A 27 2.869 -7.284 -2.761 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.605 -7.196 -3.605 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.578 -6.879 -1.323 1.00 0.00 C ATOM 0 H LEU A 27 5.474 -7.281 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 27 4.553 -10.073 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.634 -9.416 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.055 -8.858 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 27 3.605 -6.594 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.205 -6.183 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.841 -7.443 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.863 -7.898 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.162 -5.871 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.861 -7.575 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.502 -6.900 -0.745 1.00 0.00 H new ATOM 387 N THR A 28 2.925 -9.646 -5.904 1.00 0.00 N ATOM 388 CA THR A 28 2.168 -9.398 -7.113 1.00 0.00 C ATOM 389 C THR A 28 0.724 -9.825 -6.949 1.00 0.00 C ATOM 390 O THR A 28 0.404 -10.757 -6.212 1.00 0.00 O ATOM 391 CB THR A 28 2.806 -10.085 -8.318 1.00 0.00 C ATOM 392 OG1 THR A 28 4.094 -9.558 -8.570 1.00 0.00 O ATOM 393 CG2 THR A 28 1.995 -9.948 -9.590 1.00 0.00 C ATOM 0 H THR A 28 2.915 -10.613 -5.579 1.00 0.00 H new ATOM 0 HA THR A 28 2.183 -8.324 -7.296 1.00 0.00 H new ATOM 0 HB THR A 28 2.855 -11.141 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.346 -9.741 -9.499 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.507 -10.459 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.011 -10.393 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.883 -8.893 -9.838 1.00 0.00 H new ATOM 401 N TRP A 29 -0.136 -9.101 -7.633 1.00 0.00 N ATOM 402 CA TRP A 29 -1.564 -9.334 -7.586 1.00 0.00 C ATOM 403 C TRP A 29 -2.064 -9.875 -8.921 1.00 0.00 C ATOM 404 O TRP A 29 -1.640 -9.416 -9.976 1.00 0.00 O ATOM 405 CB TRP A 29 -2.242 -8.010 -7.249 1.00 0.00 C ATOM 406 CG TRP A 29 -3.717 -8.094 -7.067 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.386 -8.455 -5.936 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.708 -7.780 -8.043 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.739 -8.378 -6.148 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.962 -7.971 -7.436 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.656 -7.356 -9.374 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.155 -7.751 -8.111 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.848 -7.139 -10.044 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.080 -7.336 -9.411 1.00 0.00 C ATOM 0 H TRP A 29 0.138 -8.329 -8.241 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.801 -10.079 -6.827 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.799 -7.613 -6.336 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.028 -7.295 -8.044 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.920 -8.757 -5.010 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.461 -8.589 -5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.708 -7.201 -9.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.108 -7.902 -7.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.826 -6.812 -11.073 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.992 -7.156 -9.962 1.00 0.00 H new ATOM 425 N ARG A 30 -2.953 -10.860 -8.874 1.00 0.00 N ATOM 426 CA ARG A 30 -3.487 -11.457 -10.097 1.00 0.00 C ATOM 427 C ARG A 30 -4.999 -11.636 -10.012 1.00 0.00 C ATOM 428 O ARG A 30 -5.508 -12.237 -9.067 1.00 0.00 O ATOM 429 CB ARG A 30 -2.818 -12.806 -10.362 1.00 0.00 C ATOM 430 CG ARG A 30 -2.853 -13.226 -11.823 1.00 0.00 C ATOM 431 CD ARG A 30 -3.913 -14.286 -12.074 1.00 0.00 C ATOM 432 NE ARG A 30 -3.344 -15.632 -12.109 1.00 0.00 N ATOM 433 CZ ARG A 30 -3.970 -16.688 -12.624 1.00 0.00 C ATOM 434 NH1 ARG A 30 -5.183 -16.560 -13.148 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.380 -17.876 -12.616 1.00 0.00 N ATOM 0 H ARG A 30 -3.318 -11.261 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.270 -10.778 -10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.781 -12.759 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.310 -13.571 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.053 -12.356 -12.448 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.876 -13.611 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.671 -14.233 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.415 -14.080 -13.019 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.413 -15.770 -11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.641 -15.649 -13.158 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.657 -17.373 -13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.448 -17.980 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.859 -18.686 -13.010 1.00 0.00 H new ATOM 449 N SER A 31 -5.715 -11.115 -11.006 1.00 0.00 N ATOM 450 CA SER A 31 -7.167 -11.228 -11.032 1.00 0.00 C ATOM 451 C SER A 31 -7.597 -12.622 -11.476 1.00 0.00 C ATOM 452 O SER A 31 -6.847 -13.328 -12.151 1.00 0.00 O ATOM 453 CB SER A 31 -7.770 -10.170 -11.959 1.00 0.00 C ATOM 454 OG SER A 31 -7.466 -10.445 -13.314 1.00 0.00 O ATOM 0 H SER A 31 -5.314 -10.614 -11.799 1.00 0.00 H new ATOM 0 HA SER A 31 -7.536 -11.061 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.851 -10.139 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.387 -9.186 -11.690 1.00 0.00 H new ATOM 0 HG SER A 31 -6.537 -10.194 -13.498 1.00 0.00 H new ATOM 460 N THR A 32 -8.806 -13.013 -11.091 1.00 0.00 N ATOM 461 CA THR A 32 -9.332 -14.326 -11.450 1.00 0.00 C ATOM 462 C THR A 32 -10.195 -14.248 -12.700 1.00 0.00 C ATOM 463 O THR A 32 -10.135 -15.119 -13.568 1.00 0.00 O ATOM 464 CB THR A 32 -10.141 -14.912 -10.291 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.916 -13.907 -9.660 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.281 -15.566 -9.231 1.00 0.00 C ATOM 0 H THR A 32 -9.440 -12.442 -10.532 1.00 0.00 H new ATOM 0 HA THR A 32 -8.485 -14.980 -11.659 1.00 0.00 H new ATOM 0 HB THR A 32 -10.777 -15.675 -10.740 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.427 -14.302 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.917 -15.960 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.710 -16.380 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.596 -14.829 -8.813 1.00 0.00 H new ATOM 505 N LYS A 36 -5.921 -10.002 -15.301 1.00 0.00 N ATOM 506 CA LYS A 36 -4.905 -8.986 -15.087 1.00 0.00 C ATOM 507 C LYS A 36 -4.023 -9.350 -13.899 1.00 0.00 C ATOM 508 O LYS A 36 -4.430 -10.110 -13.022 1.00 0.00 O ATOM 509 CB LYS A 36 -5.565 -7.628 -14.855 1.00 0.00 C ATOM 510 CG LYS A 36 -6.276 -7.508 -13.519 1.00 0.00 C ATOM 511 CD LYS A 36 -6.731 -6.081 -13.263 1.00 0.00 C ATOM 512 CE LYS A 36 -5.558 -5.172 -12.931 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.665 -3.854 -13.616 1.00 0.00 N ATOM 0 HA LYS A 36 -4.278 -8.930 -15.977 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.805 -6.850 -14.922 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.282 -7.442 -15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.138 -8.175 -13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.608 -7.828 -12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.250 -5.700 -14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.446 -6.068 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.512 -5.018 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.628 -5.659 -13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.847 -3.264 -13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.683 -3.998 -14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.540 -3.378 -13.318 1.00 0.00 H new ATOM 527 N VAL A 37 -2.816 -8.806 -13.880 1.00 0.00 N ATOM 528 CA VAL A 37 -1.878 -9.078 -12.800 1.00 0.00 C ATOM 529 C VAL A 37 -1.021 -7.850 -12.499 1.00 0.00 C ATOM 530 O VAL A 37 -0.337 -7.329 -13.381 1.00 0.00 O ATOM 531 CB VAL A 37 -0.974 -10.287 -13.141 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.589 -10.270 -14.612 1.00 0.00 C ATOM 533 CG2 VAL A 37 0.268 -10.321 -12.257 1.00 0.00 C ATOM 0 H VAL A 37 -2.463 -8.174 -14.599 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.460 -9.321 -11.911 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.544 -11.195 -12.944 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.046 -11.128 -14.832 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.489 -10.319 -15.224 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.048 -9.351 -14.836 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.881 -11.182 -12.523 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.844 -9.407 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.031 -10.398 -11.212 1.00 0.00 H new ATOM 543 N HIS A 38 -1.058 -7.393 -11.250 1.00 0.00 N ATOM 544 CA HIS A 38 -0.279 -6.230 -10.846 1.00 0.00 C ATOM 545 C HIS A 38 0.797 -6.607 -9.830 1.00 0.00 C ATOM 546 O HIS A 38 0.505 -6.911 -8.675 1.00 0.00 O ATOM 547 CB HIS A 38 -1.197 -5.158 -10.256 1.00 0.00 C ATOM 548 CG HIS A 38 -0.482 -3.894 -9.889 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.839 -3.114 -8.809 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.577 -3.276 -10.463 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.032 -2.070 -8.736 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.836 -2.146 -9.728 1.00 0.00 N ATOM 0 H HIS A 38 -1.617 -7.809 -10.505 1.00 0.00 H new ATOM 0 HA HIS A 38 0.215 -5.835 -11.734 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.981 -4.926 -10.977 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.687 -5.559 -9.369 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.117 -3.610 -11.336 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.075 -1.288 -7.992 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.579 -1.474 -9.918 1.00 0.00 H new ATOM 561 N THR A 39 2.043 -6.556 -10.277 1.00 0.00 N ATOM 562 CA THR A 39 3.201 -6.865 -9.433 1.00 0.00 C ATOM 563 C THR A 39 3.676 -5.605 -8.719 1.00 0.00 C ATOM 564 O THR A 39 4.271 -4.721 -9.335 1.00 0.00 O ATOM 565 CB THR A 39 4.339 -7.417 -10.300 1.00 0.00 C ATOM 566 OG1 THR A 39 3.983 -8.663 -10.869 1.00 0.00 O ATOM 567 CG2 THR A 39 5.639 -7.610 -9.546 1.00 0.00 C ATOM 0 H THR A 39 2.286 -6.300 -11.234 1.00 0.00 H new ATOM 0 HA THR A 39 2.911 -7.611 -8.693 1.00 0.00 H new ATOM 0 HB THR A 39 4.497 -6.662 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.723 -8.995 -11.418 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.397 -8.003 -10.223 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.972 -6.653 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.484 -8.313 -8.728 1.00 0.00 H new ATOM 575 N VAL A 40 3.426 -5.530 -7.420 1.00 0.00 N ATOM 576 CA VAL A 40 3.850 -4.379 -6.635 1.00 0.00 C ATOM 577 C VAL A 40 5.117 -4.712 -5.867 1.00 0.00 C ATOM 578 O VAL A 40 5.092 -5.512 -4.932 1.00 0.00 O ATOM 579 CB VAL A 40 2.762 -3.927 -5.644 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.173 -2.631 -4.961 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.425 -3.767 -6.353 1.00 0.00 C ATOM 0 H VAL A 40 2.934 -6.249 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 40 4.037 -3.562 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 40 2.648 -4.695 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.394 -2.324 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.105 -2.786 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.315 -1.853 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.669 -3.447 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.518 -3.019 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.129 -4.720 -6.791 1.00 0.00 H new ATOM 591 N VAL A 41 6.231 -4.115 -6.272 1.00 0.00 N ATOM 592 CA VAL A 41 7.497 -4.385 -5.613 1.00 0.00 C ATOM 593 C VAL A 41 7.625 -3.629 -4.305 1.00 0.00 C ATOM 594 O VAL A 41 7.844 -2.418 -4.288 1.00 0.00 O ATOM 595 CB VAL A 41 8.713 -4.064 -6.505 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.993 -4.626 -5.888 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.506 -4.613 -7.908 1.00 0.00 C ATOM 0 H VAL A 41 6.282 -3.450 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 41 7.495 -5.456 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 41 8.814 -2.981 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.841 -4.390 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.148 -4.182 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.904 -5.708 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.374 -4.377 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.378 -5.694 -7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.616 -4.162 -8.348 1.00 0.00 H new ATOM 607 N LEU A 42 7.513 -4.369 -3.207 1.00 0.00 N ATOM 608 CA LEU A 42 7.639 -3.801 -1.871 1.00 0.00 C ATOM 609 C LEU A 42 8.849 -2.878 -1.798 1.00 0.00 C ATOM 610 O LEU A 42 8.885 -1.939 -1.002 1.00 0.00 O ATOM 611 CB LEU A 42 7.799 -4.920 -0.849 1.00 0.00 C ATOM 612 CG LEU A 42 6.496 -5.548 -0.342 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.975 -6.585 -1.327 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.709 -6.177 1.026 1.00 0.00 C ATOM 0 H LEU A 42 7.333 -5.373 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 42 6.739 -3.227 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.412 -5.706 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.350 -4.530 0.007 1.00 0.00 H new ATOM 0 HG LEU A 42 5.750 -4.759 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.050 -7.017 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.784 -6.109 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.718 -7.373 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.775 -6.619 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.473 -6.952 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.033 -5.412 1.732 1.00 0.00 H new ATOM 626 N SER A 43 9.838 -3.153 -2.646 1.00 0.00 N ATOM 627 CA SER A 43 11.052 -2.347 -2.692 1.00 0.00 C ATOM 628 C SER A 43 10.702 -0.920 -3.057 1.00 0.00 C ATOM 629 O SER A 43 11.040 0.025 -2.345 1.00 0.00 O ATOM 630 CB SER A 43 12.046 -2.927 -3.700 1.00 0.00 C ATOM 631 OG SER A 43 13.247 -3.324 -3.060 1.00 0.00 O ATOM 0 H SER A 43 9.821 -3.928 -3.309 1.00 0.00 H new ATOM 0 HA SER A 43 11.521 -2.359 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.599 -3.783 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.267 -2.184 -4.467 1.00 0.00 H new ATOM 0 HG SER A 43 14.014 -3.058 -3.609 1.00 0.00 H new ATOM 637 N THR A 44 9.993 -0.784 -4.160 1.00 0.00 N ATOM 638 CA THR A 44 9.550 0.513 -4.624 1.00 0.00 C ATOM 639 C THR A 44 8.532 1.086 -3.646 1.00 0.00 C ATOM 640 O THR A 44 8.277 2.290 -3.632 1.00 0.00 O ATOM 641 CB THR A 44 8.936 0.390 -6.016 1.00 0.00 C ATOM 642 OG1 THR A 44 8.331 -0.879 -6.186 1.00 0.00 O ATOM 643 CG2 THR A 44 9.940 0.574 -7.132 1.00 0.00 C ATOM 0 H THR A 44 9.710 -1.563 -4.755 1.00 0.00 H new ATOM 0 HA THR A 44 10.406 1.186 -4.681 1.00 0.00 H new ATOM 0 HB THR A 44 8.199 1.191 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.932 -1.167 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.437 0.474 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.389 1.565 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.719 -0.184 -7.049 1.00 0.00 H new ATOM 651 N ILE A 45 7.957 0.210 -2.818 1.00 0.00 N ATOM 652 CA ILE A 45 6.973 0.635 -1.828 1.00 0.00 C ATOM 653 C ILE A 45 7.657 1.046 -0.529 1.00 0.00 C ATOM 654 O ILE A 45 8.477 0.306 0.014 1.00 0.00 O ATOM 655 CB ILE A 45 5.946 -0.476 -1.532 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.334 -0.996 -2.834 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.859 0.042 -0.601 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.496 0.032 -3.563 1.00 0.00 C ATOM 0 H ILE A 45 8.156 -0.790 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 45 6.446 1.491 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 45 6.459 -1.301 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.134 -1.333 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.716 -1.866 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.141 -0.754 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.308 0.369 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.348 0.882 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.095 -0.407 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.674 0.352 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.115 0.893 -3.816 1.00 0.00 H new ATOM 670 N ASP A 46 7.323 2.236 -0.040 1.00 0.00 N ATOM 671 CA ASP A 46 7.913 2.751 1.191 1.00 0.00 C ATOM 672 C ASP A 46 6.889 2.806 2.322 1.00 0.00 C ATOM 673 O ASP A 46 7.251 2.788 3.498 1.00 0.00 O ATOM 674 CB ASP A 46 8.496 4.145 0.950 1.00 0.00 C ATOM 675 CG ASP A 46 9.320 4.641 2.122 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.770 4.730 3.240 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.516 4.942 1.922 1.00 0.00 O ATOM 0 H ASP A 46 6.647 2.862 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 46 8.709 2.069 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.118 4.125 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.684 4.847 0.758 1.00 0.00 H new ATOM 682 N LYS A 47 5.610 2.879 1.963 1.00 0.00 N ATOM 683 CA LYS A 47 4.545 2.944 2.957 1.00 0.00 C ATOM 684 C LYS A 47 3.641 1.717 2.881 1.00 0.00 C ATOM 685 O LYS A 47 3.445 1.138 1.813 1.00 0.00 O ATOM 686 CB LYS A 47 3.717 4.217 2.766 1.00 0.00 C ATOM 687 CG LYS A 47 3.793 5.175 3.944 1.00 0.00 C ATOM 688 CD LYS A 47 4.824 6.267 3.708 1.00 0.00 C ATOM 689 CE LYS A 47 4.220 7.452 2.972 1.00 0.00 C ATOM 690 NZ LYS A 47 5.256 8.443 2.570 1.00 0.00 N ATOM 0 H LYS A 47 5.288 2.895 0.995 1.00 0.00 H new ATOM 0 HA LYS A 47 5.009 2.964 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.059 4.731 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.676 3.941 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.815 5.626 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.047 4.622 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.230 6.599 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.657 5.865 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.693 7.099 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.481 7.937 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.803 9.235 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.742 8.800 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.947 7.987 1.940 1.00 0.00 H new ATOM 704 N LEU A 48 3.091 1.336 4.028 1.00 0.00 N ATOM 705 CA LEU A 48 2.200 0.185 4.116 1.00 0.00 C ATOM 706 C LEU A 48 1.264 0.339 5.308 1.00 0.00 C ATOM 707 O LEU A 48 1.717 0.511 6.439 1.00 0.00 O ATOM 708 CB LEU A 48 3.011 -1.106 4.252 1.00 0.00 C ATOM 709 CG LEU A 48 2.198 -2.402 4.183 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.358 -2.580 5.439 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.315 -2.414 2.945 1.00 0.00 C ATOM 0 H LEU A 48 3.248 1.812 4.917 1.00 0.00 H new ATOM 0 HA LEU A 48 1.607 0.132 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.764 -1.127 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.544 -1.082 5.202 1.00 0.00 H new ATOM 0 HG LEU A 48 2.895 -3.237 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.789 -3.507 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.011 -2.621 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.671 -1.740 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.745 -3.343 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.629 -1.568 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.938 -2.340 2.053 1.00 0.00 H new ATOM 723 N GLN A 49 -0.040 0.288 5.057 1.00 0.00 N ATOM 724 CA GLN A 49 -1.012 0.436 6.134 1.00 0.00 C ATOM 725 C GLN A 49 -2.229 -0.465 5.945 1.00 0.00 C ATOM 726 O GLN A 49 -2.830 -0.508 4.871 1.00 0.00 O ATOM 727 CB GLN A 49 -1.467 1.893 6.240 1.00 0.00 C ATOM 728 CG GLN A 49 -0.336 2.900 6.111 1.00 0.00 C ATOM 729 CD GLN A 49 -0.144 3.383 4.686 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.648 2.821 3.929 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.871 4.429 4.314 1.00 0.00 N ATOM 0 H GLN A 49 -0.444 0.147 4.131 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.514 0.134 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.207 2.090 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.964 2.040 7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.540 3.755 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.590 2.448 6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.515 4.863 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.786 4.799 3.367 1.00 0.00 H new ATOM 740 N ALA A 50 -2.598 -1.158 7.017 1.00 0.00 N ATOM 741 CA ALA A 50 -3.760 -2.039 7.015 1.00 0.00 C ATOM 742 C ALA A 50 -4.845 -1.443 7.894 1.00 0.00 C ATOM 743 O ALA A 50 -4.576 -0.529 8.664 1.00 0.00 O ATOM 744 CB ALA A 50 -3.387 -3.426 7.505 1.00 0.00 C ATOM 0 H ALA A 50 -2.102 -1.125 7.908 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.131 -2.133 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.270 -4.065 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.624 -3.850 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.998 -3.361 8.521 1.00 0.00 H new ATOM 750 N THR A 51 -6.072 -1.932 7.766 1.00 0.00 N ATOM 751 CA THR A 51 -7.176 -1.394 8.556 1.00 0.00 C ATOM 752 C THR A 51 -7.569 -2.306 9.723 1.00 0.00 C ATOM 753 O THR A 51 -8.284 -3.291 9.540 1.00 0.00 O ATOM 754 CB THR A 51 -8.374 -1.165 7.644 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.539 -2.249 6.750 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.246 0.092 6.821 1.00 0.00 C ATOM 0 H THR A 51 -6.328 -2.689 7.133 1.00 0.00 H new ATOM 0 HA THR A 51 -6.844 -0.453 8.994 1.00 0.00 H new ATOM 0 HB THR A 51 -9.236 -1.070 8.305 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.342 -2.106 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.127 0.205 6.190 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.161 0.953 7.483 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.357 0.027 6.194 1.00 0.00 H new ATOM 764 N PRO A 52 -7.093 -1.987 10.946 1.00 0.00 N ATOM 765 CA PRO A 52 -7.359 -2.744 12.155 1.00 0.00 C ATOM 766 C PRO A 52 -8.304 -2.014 13.112 1.00 0.00 C ATOM 767 O PRO A 52 -8.458 -0.799 13.026 1.00 0.00 O ATOM 768 CB PRO A 52 -5.960 -2.785 12.756 1.00 0.00 C ATOM 769 CG PRO A 52 -5.366 -1.445 12.402 1.00 0.00 C ATOM 770 CD PRO A 52 -6.207 -0.871 11.274 1.00 0.00 C ATOM 0 HA PRO A 52 -7.838 -3.705 11.970 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.994 -2.933 13.835 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.372 -3.604 12.341 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.373 -0.780 13.265 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.327 -1.554 12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.764 0.011 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.596 -0.573 10.422 1.00 0.00 H new ATOM 778 N ALA A 53 -8.900 -2.769 14.040 1.00 0.00 N ATOM 779 CA ALA A 53 -9.811 -2.228 15.063 1.00 0.00 C ATOM 780 C ALA A 53 -10.605 -1.006 14.604 1.00 0.00 C ATOM 781 O ALA A 53 -11.794 -1.100 14.296 1.00 0.00 O ATOM 782 CB ALA A 53 -9.026 -1.892 16.322 1.00 0.00 C ATOM 0 H ALA A 53 -8.766 -3.778 14.106 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.545 -3.008 15.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.703 -1.492 17.077 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.548 -2.794 16.704 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.264 -1.149 16.088 1.00 0.00 H new ATOM 788 N SER A 54 -9.940 0.138 14.583 1.00 0.00 N ATOM 789 CA SER A 54 -10.568 1.400 14.189 1.00 0.00 C ATOM 790 C SER A 54 -11.086 1.326 12.773 1.00 0.00 C ATOM 791 O SER A 54 -12.079 1.962 12.421 1.00 0.00 O ATOM 792 CB SER A 54 -9.538 2.512 14.264 1.00 0.00 C ATOM 793 OG SER A 54 -8.958 2.592 15.555 1.00 0.00 O ATOM 0 H SER A 54 -8.956 0.224 14.836 1.00 0.00 H new ATOM 0 HA SER A 54 -11.401 1.595 14.864 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.758 2.338 13.523 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.008 3.463 14.015 1.00 0.00 H new ATOM 0 HG SER A 54 -8.297 3.316 15.573 1.00 0.00 H new ATOM 799 N SER A 55 -10.409 0.542 11.972 1.00 0.00 N ATOM 800 CA SER A 55 -10.792 0.366 10.589 1.00 0.00 C ATOM 801 C SER A 55 -11.137 -1.088 10.301 1.00 0.00 C ATOM 802 O SER A 55 -10.260 -1.900 10.009 1.00 0.00 O ATOM 803 CB SER A 55 -9.670 0.833 9.671 1.00 0.00 C ATOM 804 OG SER A 55 -10.136 0.972 8.343 1.00 0.00 O ATOM 0 H SER A 55 -9.585 0.012 12.254 1.00 0.00 H new ATOM 0 HA SER A 55 -11.680 0.970 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.276 1.786 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.848 0.118 9.700 1.00 0.00 H new ATOM 0 HG SER A 55 -10.595 0.150 8.070 1.00 0.00 H new ATOM 810 N GLU A 56 -12.424 -1.405 10.365 1.00 0.00 N ATOM 811 CA GLU A 56 -12.890 -2.757 10.086 1.00 0.00 C ATOM 812 C GLU A 56 -13.273 -2.878 8.614 1.00 0.00 C ATOM 813 O GLU A 56 -14.044 -3.756 8.227 1.00 0.00 O ATOM 814 CB GLU A 56 -14.088 -3.104 10.972 1.00 0.00 C ATOM 815 CG GLU A 56 -14.346 -4.598 11.088 1.00 0.00 C ATOM 816 CD GLU A 56 -15.402 -4.928 12.125 1.00 0.00 C ATOM 817 OE1 GLU A 56 -15.057 -4.994 13.324 1.00 0.00 O ATOM 818 OE2 GLU A 56 -16.574 -5.120 11.738 1.00 0.00 O ATOM 0 H GLU A 56 -13.163 -0.745 10.607 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.085 -3.458 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.924 -2.694 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.978 -2.620 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.660 -4.985 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.416 -5.105 11.347 1.00 0.00 H new ATOM 825 N LYS A 57 -12.729 -1.974 7.803 1.00 0.00 N ATOM 826 CA LYS A 57 -13.000 -1.943 6.379 1.00 0.00 C ATOM 827 C LYS A 57 -12.092 -2.907 5.612 1.00 0.00 C ATOM 828 O LYS A 57 -12.158 -2.981 4.385 1.00 0.00 O ATOM 829 CB LYS A 57 -12.812 -0.518 5.859 1.00 0.00 C ATOM 830 CG LYS A 57 -13.798 0.478 6.445 1.00 0.00 C ATOM 831 CD LYS A 57 -13.513 0.751 7.913 1.00 0.00 C ATOM 832 CE LYS A 57 -14.041 2.110 8.340 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.891 2.330 9.805 1.00 0.00 N ATOM 0 H LYS A 57 -12.089 -1.245 8.120 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.029 -2.263 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.798 -0.189 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.912 -0.520 4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.749 1.412 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.812 0.094 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.971 -0.027 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.439 0.705 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.508 2.892 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.093 2.193 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.566 3.057 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.081 1.441 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.922 2.645 10.011 1.00 0.00 H new ATOM 847 N MET A 58 -11.248 -3.639 6.344 1.00 0.00 N ATOM 848 CA MET A 58 -10.319 -4.605 5.749 1.00 0.00 C ATOM 849 C MET A 58 -9.759 -4.118 4.412 1.00 0.00 C ATOM 850 O MET A 58 -10.323 -4.391 3.353 1.00 0.00 O ATOM 851 CB MET A 58 -11.002 -5.964 5.571 1.00 0.00 C ATOM 852 CG MET A 58 -12.279 -5.914 4.750 1.00 0.00 C ATOM 853 SD MET A 58 -13.754 -5.751 5.770 1.00 0.00 S ATOM 854 CE MET A 58 -14.931 -6.677 4.791 1.00 0.00 C ATOM 0 H MET A 58 -11.189 -3.580 7.361 1.00 0.00 H new ATOM 0 HA MET A 58 -9.480 -4.711 6.437 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.303 -6.650 5.094 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.231 -6.375 6.554 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.227 -5.075 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.356 -6.820 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.905 -6.657 5.279 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.012 -6.230 3.800 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.593 -7.709 4.696 1.00 0.00 H new ATOM 864 N MET A 59 -8.643 -3.400 4.471 1.00 0.00 N ATOM 865 CA MET A 59 -8.005 -2.881 3.267 1.00 0.00 C ATOM 866 C MET A 59 -6.531 -2.580 3.519 1.00 0.00 C ATOM 867 O MET A 59 -6.159 -2.099 4.589 1.00 0.00 O ATOM 868 CB MET A 59 -8.726 -1.618 2.786 1.00 0.00 C ATOM 869 CG MET A 59 -8.719 -0.499 3.810 1.00 0.00 C ATOM 870 SD MET A 59 -10.336 0.266 4.036 1.00 0.00 S ATOM 871 CE MET A 59 -9.873 1.909 4.597 1.00 0.00 C ATOM 0 H MET A 59 -8.162 -3.164 5.339 1.00 0.00 H new ATOM 0 HA MET A 59 -8.072 -3.644 2.491 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.254 -1.265 1.869 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.757 -1.868 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.373 -0.892 4.766 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.003 0.263 3.501 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.541 2.221 5.400 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.847 1.892 4.964 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.950 2.612 3.768 1.00 0.00 H new ATOM 881 N LEU A 60 -5.695 -2.866 2.524 1.00 0.00 N ATOM 882 CA LEU A 60 -4.261 -2.625 2.637 1.00 0.00 C ATOM 883 C LEU A 60 -3.820 -1.536 1.663 1.00 0.00 C ATOM 884 O LEU A 60 -4.148 -1.579 0.478 1.00 0.00 O ATOM 885 CB LEU A 60 -3.473 -3.915 2.372 1.00 0.00 C ATOM 886 CG LEU A 60 -3.697 -5.049 3.381 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.636 -6.131 3.219 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.691 -4.515 4.804 1.00 0.00 C ATOM 0 H LEU A 60 -5.987 -3.265 1.632 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.054 -2.291 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.733 -4.280 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.410 -3.673 2.355 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.674 -5.488 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.813 -6.926 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.686 -6.542 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.649 -5.700 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.852 -5.337 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.730 -4.045 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.487 -3.780 4.920 1.00 0.00 H new ATOM 900 N ARG A 61 -3.074 -0.560 2.172 1.00 0.00 N ATOM 901 CA ARG A 61 -2.586 0.544 1.350 1.00 0.00 C ATOM 902 C ARG A 61 -1.060 0.564 1.332 1.00 0.00 C ATOM 903 O ARG A 61 -0.417 0.562 2.381 1.00 0.00 O ATOM 904 CB ARG A 61 -3.121 1.879 1.882 1.00 0.00 C ATOM 905 CG ARG A 61 -2.473 3.100 1.243 1.00 0.00 C ATOM 906 CD ARG A 61 -3.509 4.042 0.650 1.00 0.00 C ATOM 907 NE ARG A 61 -3.010 5.412 0.552 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.624 6.378 -0.128 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.759 6.129 -0.770 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.101 7.596 -0.166 1.00 0.00 N ATOM 0 H ARG A 61 -2.794 -0.511 3.151 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.945 0.399 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.197 1.921 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.965 1.919 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.883 3.632 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.784 2.779 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.796 3.689 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.408 4.027 1.266 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.140 5.642 1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.165 5.194 -0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.225 6.873 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.229 7.792 0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.571 8.337 -0.687 1.00 0.00 H new ATOM 924 N LEU A 62 -0.488 0.586 0.133 1.00 0.00 N ATOM 925 CA LEU A 62 0.963 0.610 -0.021 1.00 0.00 C ATOM 926 C LEU A 62 1.380 1.713 -0.990 1.00 0.00 C ATOM 927 O LEU A 62 0.897 1.777 -2.120 1.00 0.00 O ATOM 928 CB LEU A 62 1.498 -0.750 -0.505 1.00 0.00 C ATOM 929 CG LEU A 62 0.448 -1.765 -0.978 1.00 0.00 C ATOM 930 CD1 LEU A 62 -0.469 -2.173 0.168 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.357 -1.204 -2.143 1.00 0.00 C ATOM 0 H LEU A 62 -1.006 0.588 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 62 1.396 0.816 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.195 -0.572 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.069 -1.201 0.306 1.00 0.00 H new ATOM 0 HG LEU A 62 0.971 -2.657 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.204 -2.893 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.122 -2.626 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.982 -1.293 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.095 -1.939 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.865 -0.292 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.313 -0.978 -2.973 1.00 0.00 H new ATOM 943 N ILE A 63 2.276 2.584 -0.537 1.00 0.00 N ATOM 944 CA ILE A 63 2.750 3.687 -1.364 1.00 0.00 C ATOM 945 C ILE A 63 4.173 3.456 -1.843 1.00 0.00 C ATOM 946 O ILE A 63 4.996 2.870 -1.140 1.00 0.00 O ATOM 947 CB ILE A 63 2.690 5.035 -0.623 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.406 5.158 0.200 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.796 6.184 -1.615 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.192 4.502 -0.429 1.00 0.00 C ATOM 0 H ILE A 63 2.687 2.547 0.396 1.00 0.00 H new ATOM 0 HA ILE A 63 2.080 3.726 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 63 3.534 5.081 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.575 4.716 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.191 6.215 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.752 7.132 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.741 6.114 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.970 6.130 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.672 4.637 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.007 4.959 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.382 3.437 -0.563 1.00 0.00 H new ATOM 962 N GLY A 64 4.447 3.926 -3.050 1.00 0.00 N ATOM 963 CA GLY A 64 5.769 3.775 -3.631 1.00 0.00 C ATOM 964 C GLY A 64 6.843 4.484 -2.827 1.00 0.00 C ATOM 965 O GLY A 64 6.971 4.268 -1.622 1.00 0.00 O ATOM 0 H GLY A 64 3.774 4.413 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.013 2.715 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.762 4.168 -4.648 1.00 0.00 H new ATOM 1311 N ARG A 86 0.490 6.375 -5.257 1.00 0.00 N ATOM 1312 CA ARG A 86 0.014 5.563 -4.144 1.00 0.00 C ATOM 1313 C ARG A 86 -0.955 4.490 -4.629 1.00 0.00 C ATOM 1314 O ARG A 86 -1.497 4.582 -5.731 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.667 6.445 -3.096 1.00 0.00 C ATOM 1316 CG ARG A 86 0.188 7.616 -2.638 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.628 8.894 -2.528 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.872 9.503 -3.833 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.244 10.770 -4.002 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.416 11.564 -2.953 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -1.444 11.244 -5.224 1.00 0.00 N ATOM 0 HA ARG A 86 0.875 5.072 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.602 6.827 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.925 5.834 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.635 7.385 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.008 7.766 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.581 8.675 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.104 9.605 -1.889 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.750 8.924 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.263 11.205 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.701 12.534 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.313 10.638 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.729 12.215 -5.354 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.171 3.474 -3.800 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.077 2.386 -4.147 1.00 0.00 C ATOM 1337 C HIS A 87 -2.880 1.941 -2.930 1.00 0.00 C ATOM 1338 O HIS A 87 -2.314 1.568 -1.902 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.297 1.199 -4.717 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.207 1.593 -5.666 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.352 1.558 -7.037 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.053 2.032 -5.434 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.771 1.957 -7.607 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.639 2.251 -6.657 1.00 0.00 N ATOM 0 H HIS A 87 -0.731 3.382 -2.884 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.768 2.753 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.862 0.633 -3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.990 0.533 -5.231 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.512 2.182 -4.468 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.949 2.030 -8.670 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.591 2.586 -6.807 1.00 0.00 H new ATOM 1353 N MET A 88 -4.202 1.980 -3.053 1.00 0.00 N ATOM 1354 CA MET A 88 -5.084 1.579 -1.964 1.00 0.00 C ATOM 1355 C MET A 88 -5.790 0.271 -2.297 1.00 0.00 C ATOM 1356 O MET A 88 -6.688 0.236 -3.138 1.00 0.00 O ATOM 1357 CB MET A 88 -6.121 2.666 -1.691 1.00 0.00 C ATOM 1358 CG MET A 88 -6.502 2.785 -0.226 1.00 0.00 C ATOM 1359 SD MET A 88 -7.598 1.462 0.327 1.00 0.00 S ATOM 1360 CE MET A 88 -8.089 2.068 1.944 1.00 0.00 C ATOM 0 H MET A 88 -4.687 2.286 -3.897 1.00 0.00 H new ATOM 0 HA MET A 88 -4.475 1.434 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.731 3.624 -2.036 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.017 2.457 -2.276 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.597 2.777 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.989 3.746 -0.060 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.875 1.430 2.349 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.229 2.054 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.462 3.088 1.852 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.385 -0.801 -1.630 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.986 -2.108 -1.855 1.00 0.00 C ATOM 1372 C PHE A 89 -7.106 -2.356 -0.853 1.00 0.00 C ATOM 1373 O PHE A 89 -6.989 -1.995 0.317 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.925 -3.204 -1.756 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.798 -4.005 -3.016 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.898 -4.664 -3.540 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.588 -4.089 -3.684 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.793 -5.394 -4.705 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.478 -4.816 -4.853 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.583 -5.469 -5.362 1.00 0.00 C ATOM 0 H PHE A 89 -4.644 -0.791 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.411 -2.128 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.962 -2.751 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.174 -3.871 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.848 -4.605 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.722 -3.581 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.657 -5.906 -5.102 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.530 -4.874 -5.368 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.500 -6.039 -6.276 1.00 0.00 H new ATOM 1390 N SER A 90 -8.200 -2.954 -1.317 1.00 0.00 N ATOM 1391 CA SER A 90 -9.340 -3.219 -0.449 1.00 0.00 C ATOM 1392 C SER A 90 -9.999 -4.555 -0.767 1.00 0.00 C ATOM 1393 O SER A 90 -10.388 -4.812 -1.906 1.00 0.00 O ATOM 1394 CB SER A 90 -10.370 -2.102 -0.595 1.00 0.00 C ATOM 1395 OG SER A 90 -11.171 -1.988 0.569 1.00 0.00 O ATOM 0 H SER A 90 -8.320 -3.262 -2.282 1.00 0.00 H new ATOM 0 HA SER A 90 -8.970 -3.261 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.861 -1.157 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.005 -2.300 -1.459 1.00 0.00 H new ATOM 0 HG SER A 90 -11.821 -1.264 0.449 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.143 -5.392 0.255 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.782 -6.691 0.091 1.00 0.00 C ATOM 1403 C PHE A 91 -11.891 -6.864 1.122 1.00 0.00 C ATOM 1404 O PHE A 91 -12.026 -6.058 2.041 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.780 -7.855 0.195 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.386 -7.487 0.630 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.660 -6.501 -0.021 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.791 -8.161 1.682 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.374 -6.192 0.376 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.505 -7.860 2.078 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.795 -6.874 1.426 1.00 0.00 C ATOM 0 H PHE A 91 -9.826 -5.194 1.204 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.206 -6.717 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.177 -8.589 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.719 -8.344 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.106 -5.969 -0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.341 -8.933 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.822 -5.417 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.054 -8.397 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.788 -6.636 1.737 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.686 -7.915 0.961 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.787 -8.185 1.878 1.00 0.00 C ATOM 1423 C ASN A 92 -13.364 -9.160 2.972 1.00 0.00 C ATOM 1424 O ASN A 92 -14.192 -9.890 3.517 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.987 -8.748 1.114 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.781 -7.667 0.407 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.729 -7.113 0.963 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.397 -7.363 -0.827 1.00 0.00 N ATOM 0 H ASN A 92 -12.589 -8.593 0.205 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.071 -7.244 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.639 -9.477 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.639 -9.279 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.894 -6.644 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.605 -7.848 -1.249 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.074 -9.169 3.290 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.552 -10.058 4.320 1.00 0.00 C ATOM 1437 C ASN A 93 -10.710 -9.298 5.336 1.00 0.00 C ATOM 1438 O ASN A 93 -9.643 -8.782 5.009 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.724 -11.178 3.688 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.559 -12.402 3.363 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.941 -12.620 2.214 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.846 -13.208 4.378 1.00 0.00 N ATOM 0 H ASN A 93 -11.373 -8.572 2.851 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.403 -10.494 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.255 -10.809 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.920 -11.460 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.404 -14.047 4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.508 -12.988 5.315 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.199 -9.241 6.572 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.496 -8.551 7.647 1.00 0.00 C ATOM 1451 C ARG A 94 -9.439 -9.454 8.275 1.00 0.00 C ATOM 1452 O ARG A 94 -8.422 -8.979 8.779 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.487 -8.088 8.717 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.839 -7.316 9.854 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.518 -7.605 11.183 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.568 -6.424 12.041 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.083 -6.421 13.269 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.592 -7.533 13.785 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -12.089 -5.303 13.982 1.00 0.00 N ATOM 0 H ARG A 94 -12.082 -9.666 6.853 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.997 -7.681 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.246 -7.461 8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.000 -8.958 9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.783 -7.580 9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.888 -6.248 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.531 -7.964 11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.983 -8.404 11.697 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.186 -5.550 11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.590 -8.395 13.240 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.985 -7.525 14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.699 -4.446 13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.483 -5.300 14.923 1.00 0.00 H new ATOM 1473 N THR A 95 -9.686 -10.760 8.237 1.00 0.00 N ATOM 1474 CA THR A 95 -8.754 -11.729 8.799 1.00 0.00 C ATOM 1475 C THR A 95 -7.534 -11.881 7.896 1.00 0.00 C ATOM 1476 O THR A 95 -6.395 -11.868 8.363 1.00 0.00 O ATOM 1477 CB THR A 95 -9.457 -13.080 9.001 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.013 -13.700 10.194 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.250 -14.069 7.869 1.00 0.00 C ATOM 0 H THR A 95 -10.523 -11.170 7.823 1.00 0.00 H new ATOM 0 HA THR A 95 -8.413 -11.369 9.770 1.00 0.00 H new ATOM 0 HB THR A 95 -10.518 -12.834 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.472 -14.558 10.307 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.780 -14.995 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.635 -13.646 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.186 -14.278 7.758 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.787 -12.023 6.601 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.716 -12.174 5.624 1.00 0.00 C ATOM 1489 C VAL A 96 -5.812 -10.948 5.613 1.00 0.00 C ATOM 1490 O VAL A 96 -4.604 -11.053 5.828 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.272 -12.394 4.204 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.148 -12.735 3.237 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.334 -13.483 4.203 1.00 0.00 C ATOM 0 H VAL A 96 -8.726 -12.037 6.202 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.141 -13.051 5.920 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.739 -11.467 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.560 -12.887 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.429 -11.916 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.649 -13.646 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.712 -13.621 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.898 -14.417 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.154 -13.192 4.860 1.00 0.00 H new ATOM 1503 N MET A 97 -6.405 -9.786 5.351 1.00 0.00 N ATOM 1504 CA MET A 97 -5.653 -8.530 5.300 1.00 0.00 C ATOM 1505 C MET A 97 -4.657 -8.400 6.452 1.00 0.00 C ATOM 1506 O MET A 97 -3.468 -8.175 6.231 1.00 0.00 O ATOM 1507 CB MET A 97 -6.612 -7.341 5.323 1.00 0.00 C ATOM 1508 CG MET A 97 -7.701 -7.454 6.378 1.00 0.00 C ATOM 1509 SD MET A 97 -7.383 -6.424 7.821 1.00 0.00 S ATOM 1510 CE MET A 97 -7.102 -4.846 7.031 1.00 0.00 C ATOM 0 H MET A 97 -7.404 -9.686 5.170 1.00 0.00 H new ATOM 0 HA MET A 97 -5.086 -8.537 4.369 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.042 -6.429 5.499 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.077 -7.242 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.657 -7.171 5.938 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.790 -8.494 6.692 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.630 -4.066 7.579 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.034 -4.627 7.026 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.470 -4.882 6.006 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.150 -8.523 7.676 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.299 -8.398 8.856 1.00 0.00 C ATOM 1522 C ASP A 98 -3.196 -9.452 8.868 1.00 0.00 C ATOM 1523 O ASP A 98 -2.173 -9.283 9.531 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.139 -8.508 10.129 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.659 -7.164 10.597 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.881 -6.187 10.580 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.846 -7.087 10.981 1.00 0.00 O ATOM 0 H ASP A 98 -6.132 -8.709 7.880 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.826 -7.417 8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.980 -9.177 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.538 -8.957 10.920 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.409 -10.543 8.140 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.429 -11.620 8.082 1.00 0.00 C ATOM 1534 C ASN A 99 -1.328 -11.316 7.069 1.00 0.00 C ATOM 1535 O ASN A 99 -0.165 -11.661 7.284 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.117 -12.941 7.727 1.00 0.00 C ATOM 1537 CG ASN A 99 -2.824 -14.035 8.735 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -1.680 -14.225 9.148 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -3.861 -14.762 9.137 1.00 0.00 N ATOM 0 H ASN A 99 -4.249 -10.704 7.584 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.968 -11.707 9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.194 -12.783 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.789 -13.264 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.726 -15.512 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.792 -14.570 8.768 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.699 -10.682 5.962 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.737 -10.351 4.918 1.00 0.00 C ATOM 1548 C ILE A 100 -0.055 -9.004 5.171 1.00 0.00 C ATOM 1549 O ILE A 100 1.088 -8.797 4.765 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.401 -10.339 3.524 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.333 -10.320 2.428 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.343 -9.152 3.380 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.889 -10.058 1.043 1.00 0.00 C ATOM 0 H ILE A 100 -2.656 -10.388 5.765 1.00 0.00 H new ATOM 0 HA ILE A 100 0.024 -11.131 4.943 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.991 -11.249 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.405 -9.554 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.190 -11.276 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.798 -9.166 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.123 -9.213 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.783 -8.226 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.075 -10.059 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.606 -10.838 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.387 -9.089 1.028 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.756 -8.091 5.840 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.210 -6.779 6.134 1.00 0.00 C ATOM 1567 C LYS A 101 0.890 -6.878 7.180 1.00 0.00 C ATOM 1568 O LYS A 101 1.891 -6.165 7.120 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.332 -5.857 6.617 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.745 -6.063 8.077 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.861 -5.302 9.068 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.596 -3.869 8.632 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.661 -3.336 9.223 1.00 0.00 N ATOM 0 H LYS A 101 -1.703 -8.241 6.187 1.00 0.00 H new ATOM 0 HA LYS A 101 0.228 -6.363 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.015 -4.822 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.205 -6.006 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.779 -5.743 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.709 -7.127 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.339 -5.298 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.088 -5.826 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.534 -3.825 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.434 -3.238 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.079 -2.636 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.451 -2.883 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.333 -4.116 9.370 1.00 0.00 H new ATOM 1587 N MET A 102 0.686 -7.765 8.139 1.00 0.00 N ATOM 1588 CA MET A 102 1.649 -7.968 9.217 1.00 0.00 C ATOM 1589 C MET A 102 2.983 -8.485 8.683 1.00 0.00 C ATOM 1590 O MET A 102 4.038 -8.210 9.254 1.00 0.00 O ATOM 1591 CB MET A 102 1.088 -8.948 10.250 1.00 0.00 C ATOM 1592 CG MET A 102 0.187 -8.293 11.284 1.00 0.00 C ATOM 1593 SD MET A 102 -0.503 -9.479 12.454 1.00 0.00 S ATOM 1594 CE MET A 102 -1.598 -8.423 13.400 1.00 0.00 C ATOM 0 H MET A 102 -0.140 -8.360 8.196 1.00 0.00 H new ATOM 0 HA MET A 102 1.825 -7.003 9.692 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.527 -9.726 9.733 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.917 -9.438 10.761 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.754 -7.539 11.829 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.626 -7.775 10.776 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.100 -9.013 14.167 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.019 -7.630 13.873 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.342 -7.983 12.736 1.00 0.00 H new ATOM 1604 N THR A 103 2.929 -9.242 7.592 1.00 0.00 N ATOM 1605 CA THR A 103 4.137 -9.802 6.991 1.00 0.00 C ATOM 1606 C THR A 103 4.746 -8.846 5.969 1.00 0.00 C ATOM 1607 O THR A 103 5.967 -8.764 5.836 1.00 0.00 O ATOM 1608 CB THR A 103 3.822 -11.142 6.324 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.195 -12.022 7.240 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.048 -11.842 5.780 1.00 0.00 C ATOM 0 H THR A 103 2.065 -9.482 7.106 1.00 0.00 H new ATOM 0 HA THR A 103 4.865 -9.955 7.788 1.00 0.00 H new ATOM 0 HB THR A 103 3.161 -10.903 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.000 -12.873 6.795 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.754 -12.786 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.527 -11.209 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.747 -12.037 6.594 1.00 0.00 H new ATOM 1618 N LEU A 104 3.892 -8.133 5.244 1.00 0.00 N ATOM 1619 CA LEU A 104 4.356 -7.193 4.230 1.00 0.00 C ATOM 1620 C LEU A 104 4.754 -5.856 4.857 1.00 0.00 C ATOM 1621 O LEU A 104 5.659 -5.178 4.369 1.00 0.00 O ATOM 1622 CB LEU A 104 3.271 -7.003 3.157 1.00 0.00 C ATOM 1623 CG LEU A 104 2.706 -5.587 3.009 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.694 -4.692 2.276 1.00 0.00 C ATOM 1625 CD2 LEU A 104 1.372 -5.623 2.278 1.00 0.00 C ATOM 0 H LEU A 104 2.878 -8.187 5.339 1.00 0.00 H new ATOM 0 HA LEU A 104 5.246 -7.605 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.683 -7.310 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.446 -7.679 3.381 1.00 0.00 H new ATOM 0 HG LEU A 104 2.543 -5.173 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.276 -3.690 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.627 -4.643 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.888 -5.100 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.983 -4.609 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.512 -6.055 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.664 -6.230 2.842 1.00 0.00 H new ATOM 1637 N GLN A 105 4.076 -5.481 5.938 1.00 0.00 N ATOM 1638 CA GLN A 105 4.367 -4.224 6.621 1.00 0.00 C ATOM 1639 C GLN A 105 5.749 -4.255 7.261 1.00 0.00 C ATOM 1640 O GLN A 105 6.592 -3.403 6.982 1.00 0.00 O ATOM 1641 CB GLN A 105 3.316 -3.936 7.693 1.00 0.00 C ATOM 1642 CG GLN A 105 3.510 -2.596 8.383 1.00 0.00 C ATOM 1643 CD GLN A 105 3.359 -2.685 9.888 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.006 -3.502 10.542 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.500 -1.840 10.444 1.00 0.00 N ATOM 0 H GLN A 105 3.324 -6.027 6.359 1.00 0.00 H new ATOM 0 HA GLN A 105 4.344 -3.431 5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.326 -3.962 7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.343 -4.729 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.501 -2.209 8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.786 -1.882 7.991 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.985 -1.179 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.355 -1.851 11.454 1.00 0.00 H new ATOM 1654 N GLN A 106 5.972 -5.242 8.126 1.00 0.00 N ATOM 1655 CA GLN A 106 7.252 -5.388 8.815 1.00 0.00 C ATOM 1656 C GLN A 106 8.419 -5.210 7.850 1.00 0.00 C ATOM 1657 O GLN A 106 9.412 -4.560 8.176 1.00 0.00 O ATOM 1658 CB GLN A 106 7.337 -6.760 9.488 1.00 0.00 C ATOM 1659 CG GLN A 106 7.182 -7.922 8.520 1.00 0.00 C ATOM 1660 CD GLN A 106 7.308 -9.270 9.204 1.00 0.00 C ATOM 1661 OE1 GLN A 106 6.343 -9.785 9.768 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.502 -9.848 9.156 1.00 0.00 N ATOM 0 H GLN A 106 5.282 -5.953 8.367 1.00 0.00 H new ATOM 0 HA GLN A 106 7.315 -4.610 9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.297 -6.847 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.563 -6.829 10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.210 -7.856 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.938 -7.843 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.274 -9.384 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.647 -10.756 9.598 1.00 0.00 H new ATOM 1671 N ILE A 107 8.291 -5.790 6.662 1.00 0.00 N ATOM 1672 CA ILE A 107 9.327 -5.699 5.651 1.00 0.00 C ATOM 1673 C ILE A 107 9.678 -4.249 5.340 1.00 0.00 C ATOM 1674 O ILE A 107 10.835 -3.929 5.080 1.00 0.00 O ATOM 1675 CB ILE A 107 8.897 -6.437 4.365 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.667 -7.743 4.256 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.106 -5.581 3.124 1.00 0.00 C ATOM 1678 CD1 ILE A 107 9.063 -8.726 3.277 1.00 0.00 C ATOM 0 H ILE A 107 7.474 -6.330 6.378 1.00 0.00 H new ATOM 0 HA ILE A 107 10.220 -6.180 6.049 1.00 0.00 H new ATOM 0 HB ILE A 107 7.829 -6.647 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.692 -7.526 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.717 -8.208 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.791 -6.137 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.516 -4.669 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.161 -5.323 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.667 -9.633 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.048 -8.973 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.038 -8.281 2.283 1.00 0.00 H new ATOM 1690 N ILE A 108 8.682 -3.374 5.370 1.00 0.00 N ATOM 1691 CA ILE A 108 8.923 -1.967 5.094 1.00 0.00 C ATOM 1692 C ILE A 108 9.880 -1.387 6.117 1.00 0.00 C ATOM 1693 O ILE A 108 10.959 -0.903 5.781 1.00 0.00 O ATOM 1694 CB ILE A 108 7.624 -1.142 5.105 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.555 -1.806 4.235 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.906 0.272 4.624 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.017 -2.102 2.824 1.00 0.00 C ATOM 0 H ILE A 108 7.712 -3.610 5.580 1.00 0.00 H new ATOM 0 HA ILE A 108 9.357 -1.911 4.096 1.00 0.00 H new ATOM 0 HB ILE A 108 7.245 -1.096 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.241 -2.736 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.679 -1.158 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.982 0.851 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.636 0.742 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.302 0.239 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.207 -2.572 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.304 -1.172 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.874 -2.775 2.855 1.00 0.00 H new ATOM 1709 N SER A 109 9.473 -1.455 7.370 1.00 0.00 N ATOM 1710 CA SER A 109 10.283 -0.952 8.468 1.00 0.00 C ATOM 1711 C SER A 109 11.631 -1.664 8.503 1.00 0.00 C ATOM 1712 O SER A 109 12.654 -1.067 8.836 1.00 0.00 O ATOM 1713 CB SER A 109 9.551 -1.143 9.796 1.00 0.00 C ATOM 1714 OG SER A 109 10.231 -0.490 10.854 1.00 0.00 O ATOM 0 H SER A 109 8.580 -1.856 7.656 1.00 0.00 H new ATOM 0 HA SER A 109 10.456 0.113 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.537 -0.751 9.715 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.465 -2.207 10.017 1.00 0.00 H new ATOM 0 HG SER A 109 9.741 -0.627 11.692 1.00 0.00 H new ATOM 1720 N ARG A 110 11.627 -2.944 8.144 1.00 0.00 N ATOM 1721 CA ARG A 110 12.854 -3.726 8.123 1.00 0.00 C ATOM 1722 C ARG A 110 13.740 -3.277 6.965 1.00 0.00 C ATOM 1723 O ARG A 110 14.943 -3.076 7.132 1.00 0.00 O ATOM 1724 CB ARG A 110 12.533 -5.228 8.030 1.00 0.00 C ATOM 1725 CG ARG A 110 12.841 -5.862 6.680 1.00 0.00 C ATOM 1726 CD ARG A 110 12.381 -7.311 6.625 1.00 0.00 C ATOM 1727 NE ARG A 110 13.429 -8.235 7.054 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.640 -8.586 8.322 1.00 0.00 C ATOM 1729 NH1 ARG A 110 12.879 -8.094 9.292 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.616 -9.433 8.619 1.00 0.00 N ATOM 0 H ARG A 110 10.791 -3.458 7.865 1.00 0.00 H new ATOM 0 HA ARG A 110 13.398 -3.559 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.096 -5.754 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.476 -5.374 8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.351 -5.294 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.913 -5.812 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 110 11.504 -7.437 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.076 -7.556 5.608 1.00 0.00 H new ATOM 0 HE ARG A 110 14.036 -8.636 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.127 -7.442 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.047 -8.367 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.203 -9.814 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 110 14.779 -9.703 9.589 1.00 0.00 H new ATOM 1744 N TYR A 111 13.134 -3.117 5.790 1.00 0.00 N ATOM 1745 CA TYR A 111 13.870 -2.685 4.609 1.00 0.00 C ATOM 1746 C TYR A 111 14.328 -1.237 4.746 1.00 0.00 C ATOM 1747 O TYR A 111 15.503 -0.929 4.554 1.00 0.00 O ATOM 1748 CB TYR A 111 13.004 -2.842 3.355 1.00 0.00 C ATOM 1749 CG TYR A 111 13.121 -4.197 2.687 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.671 -5.287 3.354 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.678 -4.384 1.383 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.775 -6.521 2.741 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.780 -5.615 0.764 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.329 -6.680 1.446 1.00 0.00 C ATOM 1755 OH TYR A 111 13.432 -7.906 0.832 1.00 0.00 O ATOM 0 H TYR A 111 12.139 -3.280 5.633 1.00 0.00 H new ATOM 0 HA TYR A 111 14.753 -3.317 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.962 -2.670 3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.280 -2.070 2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.023 -5.167 4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.247 -3.553 0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.204 -7.357 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.431 -5.742 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 111 14.134 -7.872 0.149 1.00 0.00 H new ATOM 1765 N LYS A 112 13.394 -0.351 5.079 1.00 0.00 N ATOM 1766 CA LYS A 112 13.704 1.067 5.242 1.00 0.00 C ATOM 1767 C LYS A 112 14.910 1.264 6.157 1.00 0.00 C ATOM 1768 O LYS A 112 15.659 2.230 6.015 1.00 0.00 O ATOM 1769 CB LYS A 112 12.495 1.808 5.814 1.00 0.00 C ATOM 1770 CG LYS A 112 11.338 1.947 4.837 1.00 0.00 C ATOM 1771 CD LYS A 112 11.806 2.467 3.488 1.00 0.00 C ATOM 1772 CE LYS A 112 12.100 1.329 2.525 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.890 0.920 1.760 1.00 0.00 N ATOM 0 H LYS A 112 12.416 -0.589 5.241 1.00 0.00 H new ATOM 0 HA LYS A 112 13.947 1.474 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.146 1.282 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.808 2.802 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.853 0.980 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.591 2.625 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.042 3.117 3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.702 3.073 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.882 1.635 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.484 0.474 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.070 0.013 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.086 0.816 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.667 1.645 1.049 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.779 4.513 4.119 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.387 5.789 4.709 1.00 0.00 C ATOM 1971 C ASP B 70 -11.100 5.665 6.208 1.00 0.00 C ATOM 1972 O ASP B 70 -11.563 6.481 7.005 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.477 6.831 4.467 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.079 8.211 4.952 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.103 8.772 4.412 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.744 8.731 5.873 1.00 0.00 O ATOM 0 HA ASP B 70 -10.463 6.106 4.225 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.703 6.875 3.402 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.391 6.521 4.974 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.327 4.649 6.587 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.978 4.442 7.993 1.00 0.00 C ATOM 1983 C ALA B 71 -8.568 3.869 8.158 1.00 0.00 C ATOM 1984 O ALA B 71 -8.148 3.569 9.276 1.00 0.00 O ATOM 1985 CB ALA B 71 -11.010 3.549 8.673 1.00 0.00 C ATOM 0 H ALA B 71 -9.932 3.960 5.946 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.985 5.418 8.478 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.735 3.406 9.718 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.992 4.020 8.618 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -11.042 2.582 8.170 1.00 0.00 H new ATOM 1991 N THR B 72 -7.823 3.740 7.057 1.00 0.00 N ATOM 1992 CA THR B 72 -6.455 3.230 7.130 1.00 0.00 C ATOM 1993 C THR B 72 -5.457 4.379 7.175 1.00 0.00 C ATOM 1994 O THR B 72 -4.246 4.168 7.116 1.00 0.00 O ATOM 1995 CB THR B 72 -6.121 2.326 5.946 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.281 1.990 5.222 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.441 1.040 6.355 1.00 0.00 C ATOM 0 H THR B 72 -8.140 3.978 6.117 1.00 0.00 H new ATOM 0 HA THR B 72 -6.384 2.642 8.045 1.00 0.00 H new ATOM 0 HB THR B 72 -5.433 2.903 5.328 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.542 2.744 4.653 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.230 0.442 5.468 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.507 1.269 6.868 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.094 0.480 7.024 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.971 5.595 7.275 1.00 0.00 N ATOM 2006 CA TRP B 73 -5.127 6.775 7.328 1.00 0.00 C ATOM 2007 C TRP B 73 -4.870 7.153 8.777 1.00 0.00 C ATOM 2008 O TRP B 73 -4.767 8.331 9.118 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.794 7.932 6.575 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.656 7.466 5.439 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.844 7.993 5.034 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -6.391 6.364 4.571 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -8.337 7.283 3.963 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -7.458 6.276 3.661 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.352 5.444 4.479 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.506 5.297 2.671 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.398 4.477 3.499 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.466 4.411 2.609 1.00 0.00 C ATOM 0 H TRP B 73 -6.971 5.789 7.321 1.00 0.00 H new ATOM 0 HA TRP B 73 -4.172 6.560 6.848 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -6.400 8.511 7.271 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -5.024 8.601 6.190 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -8.329 8.845 5.487 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -9.212 7.475 3.475 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.520 5.487 5.167 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -8.333 5.240 1.979 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.594 3.760 3.420 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.474 3.642 1.851 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.781 6.135 9.632 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.552 6.353 11.047 1.00 0.00 C ATOM 2031 C ASP B 74 -4.287 5.041 11.785 1.00 0.00 C ATOM 2032 O ASP B 74 -5.076 4.624 12.633 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.762 7.065 11.657 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.391 7.924 12.850 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.451 7.550 13.582 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -6.041 8.972 13.051 1.00 0.00 O ATOM 0 H ASP B 74 -4.865 5.155 9.363 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.664 6.976 11.155 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.233 7.688 10.897 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -6.500 6.323 11.963 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.158 4.412 11.477 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.775 3.166 12.135 1.00 0.00 C ATOM 2043 C LEU B 75 -1.302 2.831 11.906 1.00 0.00 C ATOM 2044 O LEU B 75 -0.661 2.211 12.755 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.689 1.998 11.728 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.768 1.659 10.238 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.350 2.809 9.441 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -2.408 1.275 9.695 1.00 0.00 C ATOM 0 H LEU B 75 -2.493 4.743 10.778 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.908 3.321 13.206 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.356 1.107 12.260 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.697 2.220 12.078 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.435 0.803 10.133 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.393 2.536 8.387 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.356 3.028 9.800 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.721 3.691 9.562 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.493 1.039 8.634 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -1.715 2.106 9.827 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.035 0.403 10.232 1.00 0.00 H new