USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 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 67 THR OG1 : rot -170:sc= -1.15 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -2.85 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.794 K(o=-2.2,f=-4.4) USER MOD Set 2.2: A 76 MET CE :methyl 150:sc= -1.4 (180deg=-2.42!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0189 (180deg=-0.45) USER MOD Single : A 2 GLN : amide:sc= -1.01 X(o=-1,f=-0.98!) USER MOD Single : A 4 ASN : amide:sc= -1.09 K(o=-1.1,f=-13!) USER MOD Single : A 7 THR OG1 : rot 117:sc= 1.37 USER MOD Single : A 10 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.6) USER MOD Single : A 13 GLN : amide:sc= -2.64! C(o=-2.6!,f=-5.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 68:sc= 1.11 USER MOD Single : A 24 THR OG1 : rot -91:sc= 1.19 USER MOD Single : A 29 SER OG : rot -124:sc= 0.082 USER MOD Single : A 31 SER OG : rot -146:sc= -0.398! USER MOD Single : A 32 HIS : no HE2:sc= -0.269 K(o=-0.27,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.0901 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 10:sc= -3.49! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 62 THR OG1 : rot -169:sc= -1.21 USER MOD Single : A 65 THR OG1 : rot 60:sc= -4.65! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0.027) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.518! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0.0132 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.161 2.771 16.279 1.00 0.00 N ATOM 2 CA MET A 1 -10.373 3.473 16.665 1.00 0.00 C ATOM 3 C MET A 1 -11.181 3.889 15.435 1.00 0.00 C ATOM 4 O MET A 1 -12.374 3.603 15.346 1.00 0.00 O ATOM 5 CB MET A 1 -10.005 4.716 17.479 1.00 0.00 C ATOM 6 CG MET A 1 -9.446 4.329 18.849 1.00 0.00 C ATOM 7 SD MET A 1 -8.737 5.760 19.646 1.00 0.00 S ATOM 8 CE MET A 1 -8.080 5.000 21.121 1.00 0.00 C ATOM 0 H1 MET A 1 -8.839 2.175 17.068 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.355 2.173 15.450 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.420 3.462 16.042 1.00 0.00 H new ATOM 0 HA MET A 1 -10.984 2.801 17.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.267 5.306 16.935 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.886 5.345 17.606 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.239 3.912 19.470 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.689 3.553 18.736 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.598 5.759 21.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.890 4.536 21.683 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.349 4.240 20.844 1.00 0.00 H new ATOM 18 N GLN A 2 -10.499 4.556 14.516 1.00 0.00 N ATOM 19 CA GLN A 2 -11.139 5.014 13.294 1.00 0.00 C ATOM 20 C GLN A 2 -10.099 5.604 12.339 1.00 0.00 C ATOM 21 O GLN A 2 -10.183 6.774 11.970 1.00 0.00 O ATOM 22 CB GLN A 2 -12.241 6.030 13.600 1.00 0.00 C ATOM 23 CG GLN A 2 -13.385 5.919 12.590 1.00 0.00 C ATOM 24 CD GLN A 2 -14.541 5.094 13.160 1.00 0.00 C ATOM 25 OE1 GLN A 2 -14.450 4.501 14.222 1.00 0.00 O ATOM 26 NE2 GLN A 2 -15.631 5.092 12.397 1.00 0.00 N ATOM 0 H GLN A 2 -9.509 4.791 14.593 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.605 4.157 12.808 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.623 5.865 14.607 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.828 7.038 13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.740 6.915 12.326 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.021 5.457 11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -15.640 5.610 11.519 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -16.458 4.572 12.691 1.00 0.00 H new ATOM 35 N PRO A 3 -9.117 4.745 11.957 1.00 0.00 N ATOM 36 CA PRO A 3 -8.062 5.168 11.052 1.00 0.00 C ATOM 37 C PRO A 3 -8.580 5.271 9.616 1.00 0.00 C ATOM 38 O PRO A 3 -9.718 4.899 9.334 1.00 0.00 O ATOM 39 CB PRO A 3 -6.964 4.131 11.214 1.00 0.00 C ATOM 40 CG PRO A 3 -7.626 2.919 11.849 1.00 0.00 C ATOM 41 CD PRO A 3 -8.986 3.352 12.373 1.00 0.00 C ATOM 0 HA PRO A 3 -7.686 6.165 11.282 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.523 3.875 10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.158 4.510 11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.736 2.117 11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.011 2.529 12.660 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.785 2.738 11.957 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.042 3.256 13.457 1.00 0.00 H new ATOM 49 N ASN A 4 -7.719 5.777 8.745 1.00 0.00 N ATOM 50 CA ASN A 4 -8.075 5.933 7.345 1.00 0.00 C ATOM 51 C ASN A 4 -8.364 4.558 6.740 1.00 0.00 C ATOM 52 O ASN A 4 -8.263 3.541 7.425 1.00 0.00 O ATOM 53 CB ASN A 4 -6.930 6.568 6.553 1.00 0.00 C ATOM 54 CG ASN A 4 -7.461 7.338 5.342 1.00 0.00 C ATOM 55 OD1 ASN A 4 -8.566 7.121 4.872 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.616 8.247 4.866 1.00 0.00 N ATOM 0 H ASN A 4 -6.776 6.084 8.982 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.952 6.578 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.367 7.242 7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.239 5.793 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.878 8.814 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.706 8.378 5.307 1.00 0.00 H new ATOM 63 N ASP A 5 -8.716 4.571 5.463 1.00 0.00 N ATOM 64 CA ASP A 5 -9.020 3.337 4.758 1.00 0.00 C ATOM 65 C ASP A 5 -7.719 2.580 4.481 1.00 0.00 C ATOM 66 O ASP A 5 -7.617 1.389 4.771 1.00 0.00 O ATOM 67 CB ASP A 5 -9.696 3.622 3.416 1.00 0.00 C ATOM 68 CG ASP A 5 -10.974 4.459 3.500 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.106 5.336 4.367 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.870 4.177 2.616 1.00 0.00 O ATOM 0 H ASP A 5 -8.798 5.416 4.898 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.692 2.748 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.985 4.137 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.933 2.672 2.937 1.00 0.00 H new ATOM 76 N ILE A 6 -6.759 3.302 3.922 1.00 0.00 N ATOM 77 CA ILE A 6 -5.470 2.713 3.603 1.00 0.00 C ATOM 78 C ILE A 6 -4.453 3.828 3.352 1.00 0.00 C ATOM 79 O ILE A 6 -4.791 4.866 2.785 1.00 0.00 O ATOM 80 CB ILE A 6 -5.604 1.729 2.439 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.253 1.098 2.096 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.247 2.402 1.224 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.437 -0.186 1.286 1.00 0.00 C ATOM 0 H ILE A 6 -6.848 4.289 3.682 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.100 2.127 4.444 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.267 0.921 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.650 1.807 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.707 0.878 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.331 1.681 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.240 2.764 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.629 3.241 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.461 -0.614 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.019 -0.902 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.962 0.041 0.358 1.00 0.00 H new ATOM 95 N THR A 7 -3.227 3.576 3.786 1.00 0.00 N ATOM 96 CA THR A 7 -2.158 4.546 3.616 1.00 0.00 C ATOM 97 C THR A 7 -1.114 4.021 2.628 1.00 0.00 C ATOM 98 O THR A 7 -1.148 2.852 2.247 1.00 0.00 O ATOM 99 CB THR A 7 -1.582 4.863 4.997 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.616 3.613 5.682 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.502 5.765 5.822 1.00 0.00 C ATOM 0 H THR A 7 -2.950 2.714 4.255 1.00 0.00 H new ATOM 0 HA THR A 7 -2.532 5.474 3.184 1.00 0.00 H new ATOM 0 HB THR A 7 -0.610 5.343 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.702 3.332 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.046 5.959 6.793 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.653 6.708 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.463 5.271 5.965 1.00 0.00 H new ATOM 109 N PHE A 8 -0.212 4.911 2.242 1.00 0.00 N ATOM 110 CA PHE A 8 0.840 4.552 1.306 1.00 0.00 C ATOM 111 C PHE A 8 2.032 5.503 1.430 1.00 0.00 C ATOM 112 O PHE A 8 1.864 6.675 1.765 1.00 0.00 O ATOM 113 CB PHE A 8 0.249 4.674 -0.100 1.00 0.00 C ATOM 114 CG PHE A 8 -1.153 4.077 -0.239 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.230 4.750 0.247 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.322 2.873 -0.849 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.531 4.196 0.118 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.623 2.319 -0.979 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.700 2.992 -0.492 1.00 0.00 C ATOM 0 H PHE A 8 -0.188 5.880 2.560 1.00 0.00 H new ATOM 0 HA PHE A 8 1.193 3.542 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.214 5.727 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.915 4.180 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.096 5.706 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.467 2.338 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.386 4.731 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.757 1.364 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.689 2.570 -0.590 1.00 0.00 H new ATOM 129 N PHE A 9 3.210 4.964 1.153 1.00 0.00 N ATOM 130 CA PHE A 9 4.430 5.750 1.229 1.00 0.00 C ATOM 131 C PHE A 9 4.564 6.673 0.015 1.00 0.00 C ATOM 132 O PHE A 9 3.932 6.445 -1.015 1.00 0.00 O ATOM 133 CB PHE A 9 5.599 4.763 1.235 1.00 0.00 C ATOM 134 CG PHE A 9 6.966 5.419 1.437 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.101 6.456 2.306 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.046 4.965 0.747 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.370 7.065 2.493 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.316 5.574 0.934 1.00 0.00 C ATOM 139 CZ PHE A 9 9.451 6.611 1.803 1.00 0.00 C ATOM 0 H PHE A 9 3.346 3.992 0.875 1.00 0.00 H new ATOM 0 HA PHE A 9 4.417 6.371 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.439 4.030 2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.605 4.217 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.243 6.816 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.939 4.141 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.477 7.889 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.174 5.213 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.416 7.074 1.945 1.00 0.00 H new ATOM 149 N GLN A 10 5.390 7.695 0.178 1.00 0.00 N ATOM 150 CA GLN A 10 5.615 8.653 -0.891 1.00 0.00 C ATOM 151 C GLN A 10 5.905 7.925 -2.204 1.00 0.00 C ATOM 152 O GLN A 10 5.327 8.251 -3.240 1.00 0.00 O ATOM 153 CB GLN A 10 6.751 9.615 -0.535 1.00 0.00 C ATOM 154 CG GLN A 10 7.919 8.869 0.111 1.00 0.00 C ATOM 155 CD GLN A 10 9.188 8.998 -0.735 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.148 9.066 -1.952 1.00 0.00 O ATOM 157 NE2 GLN A 10 10.311 9.027 -0.024 1.00 0.00 N ATOM 0 H GLN A 10 5.912 7.881 1.034 1.00 0.00 H new ATOM 0 HA GLN A 10 4.708 9.244 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.094 10.126 -1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.383 10.382 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.101 9.267 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.662 7.816 0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.272 8.966 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.211 9.111 -0.496 1.00 0.00 H new ATOM 166 N ARG A 11 6.800 6.952 -2.119 1.00 0.00 N ATOM 167 CA ARG A 11 7.174 6.174 -3.288 1.00 0.00 C ATOM 168 C ARG A 11 5.958 5.425 -3.838 1.00 0.00 C ATOM 169 O ARG A 11 5.722 5.419 -5.046 1.00 0.00 O ATOM 170 CB ARG A 11 8.275 5.167 -2.951 1.00 0.00 C ATOM 171 CG ARG A 11 9.525 5.876 -2.426 1.00 0.00 C ATOM 172 CD ARG A 11 10.785 5.062 -2.728 1.00 0.00 C ATOM 173 NE ARG A 11 11.192 5.265 -4.137 1.00 0.00 N ATOM 174 CZ ARG A 11 11.857 6.352 -4.583 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.196 7.345 -3.734 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.171 6.429 -5.863 1.00 0.00 N ATOM 0 H ARG A 11 7.277 6.684 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 11 7.550 6.867 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.911 4.462 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.527 4.588 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.607 6.862 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.436 6.029 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.592 5.364 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.598 4.004 -2.544 1.00 0.00 H new ATOM 0 HE ARG A 11 10.955 4.538 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.950 7.278 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.698 8.162 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.911 5.674 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.673 7.243 -6.217 1.00 0.00 H new ATOM 189 N PHE A 12 5.218 4.812 -2.926 1.00 0.00 N ATOM 190 CA PHE A 12 4.033 4.062 -3.305 1.00 0.00 C ATOM 191 C PHE A 12 3.002 4.969 -3.978 1.00 0.00 C ATOM 192 O PHE A 12 2.311 4.549 -4.906 1.00 0.00 O ATOM 193 CB PHE A 12 3.432 3.495 -2.017 1.00 0.00 C ATOM 194 CG PHE A 12 2.671 2.182 -2.211 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.642 2.116 -3.098 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.023 1.079 -1.496 1.00 0.00 C ATOM 197 CE1 PHE A 12 0.936 0.898 -3.278 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.317 -0.139 -1.676 1.00 0.00 C ATOM 199 CZ PHE A 12 1.288 -0.204 -2.564 1.00 0.00 C ATOM 0 H PHE A 12 5.416 4.819 -1.925 1.00 0.00 H new ATOM 0 HA PHE A 12 4.301 3.275 -4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.232 3.336 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.756 4.235 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.362 2.991 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.840 1.130 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.119 0.847 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.596 -1.014 -1.108 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.751 -1.131 -2.702 1.00 0.00 H new ATOM 209 N GLN A 13 2.930 6.197 -3.485 1.00 0.00 N ATOM 210 CA GLN A 13 1.994 7.168 -4.028 1.00 0.00 C ATOM 211 C GLN A 13 2.377 7.528 -5.464 1.00 0.00 C ATOM 212 O GLN A 13 1.523 7.554 -6.350 1.00 0.00 O ATOM 213 CB GLN A 13 1.929 8.418 -3.148 1.00 0.00 C ATOM 214 CG GLN A 13 0.588 8.504 -2.417 1.00 0.00 C ATOM 215 CD GLN A 13 -0.269 9.642 -2.976 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.191 10.751 -3.194 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.537 9.307 -3.196 1.00 0.00 N ATOM 0 H GLN A 13 3.504 6.542 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 13 1.001 6.720 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.742 8.399 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.070 9.307 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.054 7.559 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.760 8.662 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.857 8.360 -2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.189 9.997 -3.569 1.00 0.00 H new ATOM 226 N ASP A 14 3.661 7.797 -5.651 1.00 0.00 N ATOM 227 CA ASP A 14 4.167 8.155 -6.966 1.00 0.00 C ATOM 228 C ASP A 14 3.831 7.039 -7.958 1.00 0.00 C ATOM 229 O ASP A 14 3.374 7.307 -9.068 1.00 0.00 O ATOM 230 CB ASP A 14 5.687 8.326 -6.943 1.00 0.00 C ATOM 231 CG ASP A 14 6.342 8.474 -8.317 1.00 0.00 C ATOM 232 OD1 ASP A 14 6.552 7.484 -9.034 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.644 9.683 -8.650 1.00 0.00 O ATOM 0 H ASP A 14 4.366 7.774 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 14 3.703 9.096 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.930 9.204 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.127 7.466 -6.438 1.00 0.00 H new ATOM 239 N ASP A 15 4.071 5.811 -7.521 1.00 0.00 N ATOM 240 CA ASP A 15 3.801 4.654 -8.357 1.00 0.00 C ATOM 241 C ASP A 15 2.313 4.623 -8.712 1.00 0.00 C ATOM 242 O ASP A 15 1.949 4.370 -9.859 1.00 0.00 O ATOM 243 CB ASP A 15 4.139 3.354 -7.624 1.00 0.00 C ATOM 244 CG ASP A 15 3.998 2.083 -8.464 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.010 2.131 -9.703 1.00 0.00 O ATOM 246 OD2 ASP A 15 3.870 0.993 -7.786 1.00 0.00 O ATOM 0 H ASP A 15 4.449 5.593 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 15 4.417 4.734 -9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.163 3.417 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.492 3.268 -6.751 1.00 0.00 H new ATOM 252 N ILE A 16 1.492 4.885 -7.705 1.00 0.00 N ATOM 253 CA ILE A 16 0.051 4.890 -7.896 1.00 0.00 C ATOM 254 C ILE A 16 -0.319 5.968 -8.916 1.00 0.00 C ATOM 255 O ILE A 16 -1.151 5.738 -9.793 1.00 0.00 O ATOM 256 CB ILE A 16 -0.667 5.041 -6.553 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.416 3.827 -5.658 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.160 5.305 -6.757 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.662 4.170 -4.187 1.00 0.00 C ATOM 0 H ILE A 16 1.797 5.095 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.283 3.936 -8.304 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.254 5.909 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.070 3.008 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.609 3.481 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.647 5.408 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.292 6.223 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.606 4.472 -7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.476 3.289 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.010 4.973 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.695 4.493 -4.056 1.00 0.00 H new ATOM 271 N LEU A 17 0.315 7.122 -8.768 1.00 0.00 N ATOM 272 CA LEU A 17 0.063 8.236 -9.666 1.00 0.00 C ATOM 273 C LEU A 17 0.370 7.807 -11.102 1.00 0.00 C ATOM 274 O LEU A 17 -0.171 8.373 -12.051 1.00 0.00 O ATOM 275 CB LEU A 17 0.839 9.474 -9.214 1.00 0.00 C ATOM 276 CG LEU A 17 1.871 10.017 -10.205 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.187 10.724 -11.377 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.883 10.923 -9.501 1.00 0.00 C ATOM 0 H LEU A 17 1.003 7.310 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.989 8.520 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.124 10.267 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.350 9.238 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 17 2.425 9.174 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.943 11.100 -12.066 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.539 10.020 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.591 11.556 -11.002 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.605 11.295 -10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.362 11.764 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.404 10.356 -8.730 1.00 0.00 H new ATOM 290 N ALA A 18 1.237 6.813 -11.217 1.00 0.00 N ATOM 291 CA ALA A 18 1.623 6.302 -12.521 1.00 0.00 C ATOM 292 C ALA A 18 0.502 5.416 -13.069 1.00 0.00 C ATOM 293 O ALA A 18 0.605 4.893 -14.178 1.00 0.00 O ATOM 294 CB ALA A 18 2.952 5.554 -12.404 1.00 0.00 C ATOM 0 H ALA A 18 1.684 6.347 -10.427 1.00 0.00 H new ATOM 0 HA ALA A 18 1.771 7.121 -13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.241 5.171 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.721 6.234 -12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.842 4.723 -11.707 1.00 0.00 H new ATOM 300 N GLY A 19 -0.543 5.276 -12.267 1.00 0.00 N ATOM 301 CA GLY A 19 -1.682 4.463 -12.658 1.00 0.00 C ATOM 302 C GLY A 19 -1.257 3.019 -12.934 1.00 0.00 C ATOM 303 O GLY A 19 -1.265 2.574 -14.081 1.00 0.00 O ATOM 0 H GLY A 19 -0.625 5.712 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.433 4.480 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.146 4.886 -13.549 1.00 0.00 H new ATOM 307 N ARG A 20 -0.894 2.328 -11.863 1.00 0.00 N ATOM 308 CA ARG A 20 -0.466 0.944 -11.976 1.00 0.00 C ATOM 309 C ARG A 20 -1.079 0.106 -10.852 1.00 0.00 C ATOM 310 O ARG A 20 -0.535 0.045 -9.750 1.00 0.00 O ATOM 311 CB ARG A 20 1.059 0.832 -11.912 1.00 0.00 C ATOM 312 CG ARG A 20 1.631 0.373 -13.255 1.00 0.00 C ATOM 313 CD ARG A 20 2.607 -0.790 -13.065 1.00 0.00 C ATOM 314 NE ARG A 20 2.376 -1.819 -14.104 1.00 0.00 N ATOM 315 CZ ARG A 20 2.746 -3.112 -13.983 1.00 0.00 C ATOM 316 NH1 ARG A 20 3.367 -3.546 -12.866 1.00 0.00 N ATOM 317 NH2 ARG A 20 2.489 -3.946 -14.974 1.00 0.00 N ATOM 0 H ARG A 20 -0.888 2.701 -10.914 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.806 0.569 -12.941 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.487 1.797 -11.641 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.343 0.126 -11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.819 0.067 -13.915 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.141 1.205 -13.741 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.633 -0.427 -13.122 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.478 -1.226 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 20 1.908 -1.534 -14.964 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.560 -2.895 -12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.643 -4.524 -12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.018 -3.610 -15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.762 -4.926 -14.899 1.00 0.00 H new ATOM 330 N LYS A 21 -2.203 -0.519 -11.169 1.00 0.00 N ATOM 331 CA LYS A 21 -2.896 -1.351 -10.200 1.00 0.00 C ATOM 332 C LYS A 21 -1.868 -2.101 -9.350 1.00 0.00 C ATOM 333 O LYS A 21 -1.292 -3.092 -9.797 1.00 0.00 O ATOM 334 CB LYS A 21 -3.900 -2.269 -10.902 1.00 0.00 C ATOM 335 CG LYS A 21 -3.191 -3.222 -11.866 1.00 0.00 C ATOM 336 CD LYS A 21 -3.236 -4.660 -11.347 1.00 0.00 C ATOM 337 CE LYS A 21 -2.699 -5.638 -12.394 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.807 -7.031 -11.906 1.00 0.00 N ATOM 0 H LYS A 21 -2.651 -0.466 -12.084 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.484 -0.734 -9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.454 -2.843 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.627 -1.668 -11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.663 -3.171 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.154 -2.910 -11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.646 -4.739 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.261 -4.925 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.258 -5.528 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.658 -5.405 -12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.438 -7.682 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.255 -7.136 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.804 -7.255 -11.715 1.00 0.00 H new ATOM 351 N THR A 22 -1.669 -1.599 -8.140 1.00 0.00 N ATOM 352 CA THR A 22 -0.720 -2.208 -7.224 1.00 0.00 C ATOM 353 C THR A 22 -1.456 -2.872 -6.059 1.00 0.00 C ATOM 354 O THR A 22 -2.579 -2.491 -5.731 1.00 0.00 O ATOM 355 CB THR A 22 0.270 -1.129 -6.782 1.00 0.00 C ATOM 356 OG1 THR A 22 1.186 -1.032 -7.869 1.00 0.00 O ATOM 357 CG2 THR A 22 1.136 -1.577 -5.603 1.00 0.00 C ATOM 0 H THR A 22 -2.149 -0.777 -7.773 1.00 0.00 H new ATOM 0 HA THR A 22 -0.157 -3.006 -7.709 1.00 0.00 H new ATOM 0 HB THR A 22 -0.275 -0.226 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.728 -0.657 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.821 -0.775 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.497 -1.815 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.707 -2.461 -5.886 1.00 0.00 H new ATOM 365 N ILE A 23 -0.793 -3.854 -5.464 1.00 0.00 N ATOM 366 CA ILE A 23 -1.370 -4.574 -4.342 1.00 0.00 C ATOM 367 C ILE A 23 -0.871 -3.957 -3.034 1.00 0.00 C ATOM 368 O ILE A 23 0.121 -3.230 -3.026 1.00 0.00 O ATOM 369 CB ILE A 23 -1.085 -6.072 -4.464 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.663 -6.436 -5.889 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.284 -6.898 -3.992 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.855 -6.342 -6.052 1.00 0.00 C ATOM 0 H ILE A 23 0.138 -4.167 -5.738 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.456 -4.478 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.248 -6.315 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.996 -7.447 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.151 -5.767 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.055 -7.959 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.497 -6.667 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.155 -6.657 -4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.128 -6.606 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.181 -5.324 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.339 -7.030 -5.358 1.00 0.00 H new ATOM 384 N THR A 24 -1.581 -4.270 -1.960 1.00 0.00 N ATOM 385 CA THR A 24 -1.221 -3.756 -0.650 1.00 0.00 C ATOM 386 C THR A 24 -1.427 -4.830 0.420 1.00 0.00 C ATOM 387 O THR A 24 -2.000 -5.884 0.144 1.00 0.00 O ATOM 388 CB THR A 24 -2.038 -2.486 -0.400 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.359 -2.964 -0.163 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.174 -1.621 -1.655 1.00 0.00 C ATOM 0 H THR A 24 -2.404 -4.873 -1.970 1.00 0.00 H new ATOM 0 HA THR A 24 -0.164 -3.495 -0.605 1.00 0.00 H new ATOM 0 HB THR A 24 -1.570 -1.903 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.852 -2.998 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.762 -0.733 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.184 -1.321 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.673 -2.192 -2.438 1.00 0.00 H new ATOM 398 N ILE A 25 -0.949 -4.527 1.618 1.00 0.00 N ATOM 399 CA ILE A 25 -1.074 -5.454 2.730 1.00 0.00 C ATOM 400 C ILE A 25 -1.690 -4.727 3.927 1.00 0.00 C ATOM 401 O ILE A 25 -1.318 -3.594 4.229 1.00 0.00 O ATOM 402 CB ILE A 25 0.275 -6.108 3.035 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.899 -6.697 1.768 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.140 -7.151 4.146 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.887 -5.716 1.136 1.00 0.00 C ATOM 0 H ILE A 25 -0.474 -3.653 1.843 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.748 -6.271 2.472 1.00 0.00 H new ATOM 0 HB ILE A 25 0.954 -5.336 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.411 -7.629 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.115 -6.941 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.113 -7.601 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.228 -6.671 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.561 -7.925 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.316 -6.160 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.367 -4.795 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.683 -5.493 1.846 1.00 0.00 H new ATOM 417 N ARG A 26 -2.622 -5.409 4.576 1.00 0.00 N ATOM 418 CA ARG A 26 -3.294 -4.843 5.733 1.00 0.00 C ATOM 419 C ARG A 26 -3.319 -5.855 6.881 1.00 0.00 C ATOM 420 O ARG A 26 -2.947 -7.013 6.699 1.00 0.00 O ATOM 421 CB ARG A 26 -4.728 -4.434 5.392 1.00 0.00 C ATOM 422 CG ARG A 26 -4.970 -4.488 3.883 1.00 0.00 C ATOM 423 CD ARG A 26 -4.359 -3.270 3.186 1.00 0.00 C ATOM 424 NE ARG A 26 -5.158 -2.061 3.486 1.00 0.00 N ATOM 425 CZ ARG A 26 -4.899 -1.218 4.509 1.00 0.00 C ATOM 426 NH1 ARG A 26 -3.859 -1.446 5.339 1.00 0.00 N ATOM 427 NH2 ARG A 26 -5.679 -0.168 4.685 1.00 0.00 N ATOM 0 H ARG A 26 -2.928 -6.349 4.323 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.738 -3.956 6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.429 -5.096 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.919 -3.425 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.537 -5.401 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.041 -4.526 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.331 -3.128 3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.326 -3.436 2.109 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.953 -1.851 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.261 -2.260 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.671 -0.804 6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.463 -0.003 4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.498 0.479 5.453 1.00 0.00 H new ATOM 440 N ASP A 27 -3.760 -5.380 8.036 1.00 0.00 N ATOM 441 CA ASP A 27 -3.839 -6.230 9.213 1.00 0.00 C ATOM 442 C ASP A 27 -5.258 -6.786 9.342 1.00 0.00 C ATOM 443 O ASP A 27 -6.229 -6.030 9.318 1.00 0.00 O ATOM 444 CB ASP A 27 -3.523 -5.439 10.484 1.00 0.00 C ATOM 445 CG ASP A 27 -3.822 -6.173 11.793 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.329 -7.305 11.789 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.510 -5.527 12.865 1.00 0.00 O ATOM 0 H ASP A 27 -4.066 -4.418 8.183 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.112 -7.034 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.468 -5.166 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.093 -4.510 10.467 1.00 0.00 H new ATOM 453 N GLU A 28 -5.334 -8.101 9.476 1.00 0.00 N ATOM 454 CA GLU A 28 -6.619 -8.767 9.609 1.00 0.00 C ATOM 455 C GLU A 28 -7.465 -8.079 10.681 1.00 0.00 C ATOM 456 O GLU A 28 -8.673 -7.919 10.516 1.00 0.00 O ATOM 457 CB GLU A 28 -6.436 -10.253 9.925 1.00 0.00 C ATOM 458 CG GLU A 28 -7.772 -10.905 10.285 1.00 0.00 C ATOM 459 CD GLU A 28 -8.773 -10.777 9.135 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.210 -9.661 8.815 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.095 -11.888 8.566 1.00 0.00 O ATOM 0 H GLU A 28 -4.527 -8.724 9.495 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.145 -8.694 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.000 -10.760 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.736 -10.369 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.615 -11.958 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.180 -10.436 11.181 1.00 0.00 H new ATOM 469 N SER A 29 -6.797 -7.690 11.757 1.00 0.00 N ATOM 470 CA SER A 29 -7.473 -7.022 12.857 1.00 0.00 C ATOM 471 C SER A 29 -8.089 -5.708 12.372 1.00 0.00 C ATOM 472 O SER A 29 -8.953 -5.140 13.038 1.00 0.00 O ATOM 473 CB SER A 29 -6.511 -6.761 14.017 1.00 0.00 C ATOM 474 OG SER A 29 -5.709 -5.604 13.796 1.00 0.00 O ATOM 0 H SER A 29 -5.795 -7.824 11.891 1.00 0.00 H new ATOM 0 HA SER A 29 -8.266 -7.676 13.219 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.080 -6.637 14.939 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.866 -7.628 14.155 1.00 0.00 H new ATOM 0 HG SER A 29 -4.761 -5.847 13.856 1.00 0.00 H new ATOM 480 N GLU A 30 -7.619 -5.263 11.216 1.00 0.00 N ATOM 481 CA GLU A 30 -8.113 -4.026 10.634 1.00 0.00 C ATOM 482 C GLU A 30 -8.437 -4.229 9.152 1.00 0.00 C ATOM 483 O GLU A 30 -8.551 -3.262 8.400 1.00 0.00 O ATOM 484 CB GLU A 30 -7.106 -2.890 10.824 1.00 0.00 C ATOM 485 CG GLU A 30 -7.253 -2.253 12.208 1.00 0.00 C ATOM 486 CD GLU A 30 -5.903 -1.757 12.729 1.00 0.00 C ATOM 487 OE1 GLU A 30 -5.281 -2.422 13.571 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.502 -0.638 12.227 1.00 0.00 O ATOM 0 H GLU A 30 -6.902 -5.736 10.667 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.030 -3.745 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.093 -3.273 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.256 -2.134 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.955 -1.421 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.671 -2.980 12.904 1.00 0.00 H new ATOM 496 N SER A 31 -8.577 -5.492 8.777 1.00 0.00 N ATOM 497 CA SER A 31 -8.885 -5.834 7.399 1.00 0.00 C ATOM 498 C SER A 31 -10.340 -6.296 7.288 1.00 0.00 C ATOM 499 O SER A 31 -10.629 -7.485 7.421 1.00 0.00 O ATOM 500 CB SER A 31 -7.942 -6.919 6.876 1.00 0.00 C ATOM 501 OG SER A 31 -7.626 -6.733 5.499 1.00 0.00 O ATOM 0 H SER A 31 -8.483 -6.291 9.404 1.00 0.00 H new ATOM 0 HA SER A 31 -8.745 -4.944 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.023 -6.914 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.403 -7.897 7.013 1.00 0.00 H new ATOM 0 HG SER A 31 -7.514 -7.606 5.068 1.00 0.00 H new ATOM 507 N HIS A 32 -11.217 -5.333 7.046 1.00 0.00 N ATOM 508 CA HIS A 32 -12.634 -5.627 6.915 1.00 0.00 C ATOM 509 C HIS A 32 -13.267 -4.663 5.910 1.00 0.00 C ATOM 510 O HIS A 32 -13.339 -3.461 6.158 1.00 0.00 O ATOM 511 CB HIS A 32 -13.323 -5.597 8.281 1.00 0.00 C ATOM 512 CG HIS A 32 -12.954 -4.403 9.129 1.00 0.00 C ATOM 513 ND1 HIS A 32 -13.448 -3.132 8.889 1.00 0.00 N ATOM 514 CD2 HIS A 32 -12.136 -4.299 10.215 1.00 0.00 C ATOM 515 CE1 HIS A 32 -12.943 -2.309 9.796 1.00 0.00 C ATOM 516 NE2 HIS A 32 -12.130 -3.034 10.617 1.00 0.00 N ATOM 0 H HIS A 32 -10.974 -4.348 6.937 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.766 -6.638 6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.403 -5.604 8.132 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -13.070 -6.508 8.824 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -14.091 -2.873 8.141 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.586 -5.109 10.671 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.140 -1.250 9.872 1.00 0.00 H new ATOM 524 N PHE A 33 -13.710 -5.228 4.796 1.00 0.00 N ATOM 525 CA PHE A 33 -14.335 -4.434 3.752 1.00 0.00 C ATOM 526 C PHE A 33 -14.777 -5.316 2.583 1.00 0.00 C ATOM 527 O PHE A 33 -14.952 -6.523 2.743 1.00 0.00 O ATOM 528 CB PHE A 33 -13.283 -3.439 3.257 1.00 0.00 C ATOM 529 CG PHE A 33 -13.830 -2.034 2.995 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.732 -1.485 3.852 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.414 -1.335 1.905 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.240 -0.181 3.608 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.922 -0.031 1.662 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.824 0.518 2.518 1.00 0.00 C ATOM 0 H PHE A 33 -13.648 -6.226 4.594 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.218 -3.930 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.483 -3.375 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.839 -3.822 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.062 -2.040 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.698 -1.771 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.957 0.255 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.591 0.525 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.210 1.509 2.333 1.00 0.00 H new ATOM 544 N LYS A 34 -14.944 -4.679 1.433 1.00 0.00 N ATOM 545 CA LYS A 34 -15.362 -5.390 0.237 1.00 0.00 C ATOM 546 C LYS A 34 -14.695 -4.759 -0.986 1.00 0.00 C ATOM 547 O LYS A 34 -14.289 -3.598 -0.946 1.00 0.00 O ATOM 548 CB LYS A 34 -16.889 -5.439 0.149 1.00 0.00 C ATOM 549 CG LYS A 34 -17.476 -6.293 1.274 1.00 0.00 C ATOM 550 CD LYS A 34 -17.252 -7.783 1.006 1.00 0.00 C ATOM 551 CE LYS A 34 -18.318 -8.336 0.058 1.00 0.00 C ATOM 552 NZ LYS A 34 -17.686 -9.062 -1.066 1.00 0.00 N ATOM 0 H LYS A 34 -14.797 -3.678 1.304 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.035 -6.429 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.293 -4.428 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.188 -5.847 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.015 -6.017 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.543 -6.093 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.263 -7.934 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.276 -8.333 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.985 -9.005 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.930 -7.520 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.424 -9.431 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.068 -8.414 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.122 -9.853 -0.695 1.00 0.00 H new ATOM 565 N THR A 35 -14.604 -5.550 -2.045 1.00 0.00 N ATOM 566 CA THR A 35 -13.993 -5.082 -3.278 1.00 0.00 C ATOM 567 C THR A 35 -14.956 -4.167 -4.036 1.00 0.00 C ATOM 568 O THR A 35 -16.162 -4.192 -3.795 1.00 0.00 O ATOM 569 CB THR A 35 -13.558 -6.308 -4.084 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.714 -7.030 -3.191 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.639 -5.944 -5.252 1.00 0.00 C ATOM 0 H THR A 35 -14.943 -6.512 -2.075 1.00 0.00 H new ATOM 0 HA THR A 35 -13.109 -4.476 -3.077 1.00 0.00 H new ATOM 0 HB THR A 35 -14.440 -6.825 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.389 -7.842 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.360 -6.849 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.160 -5.266 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.741 -5.457 -4.871 1.00 0.00 H new ATOM 579 N GLY A 36 -14.387 -3.379 -4.937 1.00 0.00 N ATOM 580 CA GLY A 36 -15.180 -2.457 -5.732 1.00 0.00 C ATOM 581 C GLY A 36 -15.427 -1.151 -4.973 1.00 0.00 C ATOM 582 O GLY A 36 -15.841 -0.155 -5.564 1.00 0.00 O ATOM 0 H GLY A 36 -13.386 -3.360 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.666 -2.245 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.133 -2.919 -5.988 1.00 0.00 H new ATOM 586 N ASP A 37 -15.162 -1.199 -3.676 1.00 0.00 N ATOM 587 CA ASP A 37 -15.350 -0.032 -2.831 1.00 0.00 C ATOM 588 C ASP A 37 -14.220 0.967 -3.088 1.00 0.00 C ATOM 589 O ASP A 37 -13.406 0.770 -3.989 1.00 0.00 O ATOM 590 CB ASP A 37 -15.315 -0.414 -1.349 1.00 0.00 C ATOM 591 CG ASP A 37 -16.685 -0.549 -0.684 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.673 0.055 -1.127 1.00 0.00 O ATOM 593 OD2 ASP A 37 -16.717 -1.323 0.348 1.00 0.00 O ATOM 0 H ASP A 37 -14.819 -2.027 -3.190 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.320 0.403 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.783 -1.360 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.738 0.337 -0.809 1.00 0.00 H new ATOM 599 N VAL A 38 -14.207 2.017 -2.281 1.00 0.00 N ATOM 600 CA VAL A 38 -13.190 3.047 -2.411 1.00 0.00 C ATOM 601 C VAL A 38 -12.183 2.910 -1.267 1.00 0.00 C ATOM 602 O VAL A 38 -12.539 2.486 -0.169 1.00 0.00 O ATOM 603 CB VAL A 38 -13.848 4.428 -2.466 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.130 5.414 -1.543 1.00 0.00 C ATOM 605 CG2 VAL A 38 -13.897 4.955 -3.901 1.00 0.00 C ATOM 0 H VAL A 38 -14.884 2.177 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.640 2.926 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.874 4.325 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.617 6.387 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.171 5.048 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.089 5.510 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.369 5.937 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.883 5.035 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.473 4.269 -4.521 1.00 0.00 H new ATOM 615 N LEU A 39 -10.945 3.278 -1.564 1.00 0.00 N ATOM 616 CA LEU A 39 -9.884 3.202 -0.575 1.00 0.00 C ATOM 617 C LEU A 39 -9.183 4.558 -0.479 1.00 0.00 C ATOM 618 O LEU A 39 -8.426 4.935 -1.373 1.00 0.00 O ATOM 619 CB LEU A 39 -8.938 2.042 -0.893 1.00 0.00 C ATOM 620 CG LEU A 39 -9.365 0.667 -0.376 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.647 -0.451 -1.134 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.157 0.560 1.136 1.00 0.00 C ATOM 0 H LEU A 39 -10.653 3.630 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.297 2.986 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.821 1.981 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.957 2.275 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.432 0.549 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.969 -1.418 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.890 -0.386 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.570 -0.347 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.469 -0.427 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.103 0.709 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.751 1.322 1.640 1.00 0.00 H new ATOM 634 N ARG A 40 -9.460 5.256 0.613 1.00 0.00 N ATOM 635 CA ARG A 40 -8.866 6.562 0.838 1.00 0.00 C ATOM 636 C ARG A 40 -7.342 6.446 0.917 1.00 0.00 C ATOM 637 O ARG A 40 -6.817 5.616 1.658 1.00 0.00 O ATOM 638 CB ARG A 40 -9.390 7.191 2.130 1.00 0.00 C ATOM 639 CG ARG A 40 -10.299 8.385 1.829 1.00 0.00 C ATOM 640 CD ARG A 40 -11.712 8.146 2.364 1.00 0.00 C ATOM 641 NE ARG A 40 -12.705 8.374 1.291 1.00 0.00 N ATOM 642 CZ ARG A 40 -14.038 8.224 1.448 1.00 0.00 C ATOM 643 NH1 ARG A 40 -14.549 7.844 2.638 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.833 8.455 0.420 1.00 0.00 N ATOM 0 H ARG A 40 -10.089 4.941 1.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.142 7.200 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.941 6.446 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.552 7.514 2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.883 9.286 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.338 8.555 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.799 7.127 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.910 8.814 3.202 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.361 8.663 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.927 7.668 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.557 7.733 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.438 8.742 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.842 8.346 0.521 1.00 0.00 H new ATOM 657 N VAL A 41 -6.675 7.290 0.144 1.00 0.00 N ATOM 658 CA VAL A 41 -5.222 7.292 0.117 1.00 0.00 C ATOM 659 C VAL A 41 -4.716 8.729 0.253 1.00 0.00 C ATOM 660 O VAL A 41 -5.508 9.659 0.397 1.00 0.00 O ATOM 661 CB VAL A 41 -4.721 6.599 -1.152 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.572 5.371 -1.479 1.00 0.00 C ATOM 663 CG2 VAL A 41 -4.687 7.573 -2.331 1.00 0.00 C ATOM 0 H VAL A 41 -7.114 7.977 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.824 6.726 0.959 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.702 6.260 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.194 4.897 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.522 4.663 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.607 5.676 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.327 7.055 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.691 7.956 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.019 8.402 -2.099 1.00 0.00 H new ATOM 673 N GLY A 42 -3.399 8.866 0.203 1.00 0.00 N ATOM 674 CA GLY A 42 -2.778 10.175 0.319 1.00 0.00 C ATOM 675 C GLY A 42 -1.264 10.049 0.498 1.00 0.00 C ATOM 676 O GLY A 42 -0.506 10.208 -0.458 1.00 0.00 O ATOM 0 H GLY A 42 -2.745 8.092 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.995 10.765 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.205 10.710 1.167 1.00 0.00 H new ATOM 680 N ARG A 43 -0.868 9.765 1.730 1.00 0.00 N ATOM 681 CA ARG A 43 0.542 9.616 2.047 1.00 0.00 C ATOM 682 C ARG A 43 0.717 9.211 3.512 1.00 0.00 C ATOM 683 O ARG A 43 0.089 9.787 4.399 1.00 0.00 O ATOM 684 CB ARG A 43 1.305 10.918 1.791 1.00 0.00 C ATOM 685 CG ARG A 43 2.752 10.634 1.382 1.00 0.00 C ATOM 686 CD ARG A 43 2.992 11.015 -0.081 1.00 0.00 C ATOM 687 NE ARG A 43 2.457 12.369 -0.346 1.00 0.00 N ATOM 688 CZ ARG A 43 2.351 12.913 -1.577 1.00 0.00 C ATOM 689 NH1 ARG A 43 2.742 12.221 -2.668 1.00 0.00 N ATOM 690 NH2 ARG A 43 1.858 14.132 -1.697 1.00 0.00 N ATOM 0 H ARG A 43 -1.499 9.634 2.521 1.00 0.00 H new ATOM 0 HA ARG A 43 0.946 8.837 1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.807 11.488 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.292 11.534 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.432 11.194 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.974 9.577 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.059 10.987 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.511 10.290 -0.738 1.00 0.00 H new ATOM 0 HE ARG A 43 2.149 12.926 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.121 11.280 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.658 12.640 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.564 14.647 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.771 14.558 -2.620 1.00 0.00 H new ATOM 703 N PHE A 44 1.574 8.222 3.721 1.00 0.00 N ATOM 704 CA PHE A 44 1.839 7.733 5.063 1.00 0.00 C ATOM 705 C PHE A 44 2.660 8.746 5.864 1.00 0.00 C ATOM 706 O PHE A 44 2.588 8.777 7.092 1.00 0.00 O ATOM 707 CB PHE A 44 2.647 6.441 4.917 1.00 0.00 C ATOM 708 CG PHE A 44 2.173 5.305 5.826 1.00 0.00 C ATOM 709 CD1 PHE A 44 2.074 5.504 7.168 1.00 0.00 C ATOM 710 CD2 PHE A 44 1.852 4.096 5.293 1.00 0.00 C ATOM 711 CE1 PHE A 44 1.635 4.450 8.012 1.00 0.00 C ATOM 712 CE2 PHE A 44 1.413 3.042 6.136 1.00 0.00 C ATOM 713 CZ PHE A 44 1.313 3.241 7.478 1.00 0.00 C ATOM 0 H PHE A 44 2.094 7.746 2.983 1.00 0.00 H new ATOM 0 HA PHE A 44 0.900 7.568 5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.597 6.108 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.694 6.653 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.329 6.464 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.931 3.938 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.557 4.608 9.078 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.158 2.082 5.712 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.978 2.439 8.119 1.00 0.00 H new ATOM 723 N GLU A 45 3.421 9.550 5.136 1.00 0.00 N ATOM 724 CA GLU A 45 4.255 10.561 5.763 1.00 0.00 C ATOM 725 C GLU A 45 3.454 11.331 6.816 1.00 0.00 C ATOM 726 O GLU A 45 3.918 11.517 7.940 1.00 0.00 O ATOM 727 CB GLU A 45 4.843 11.512 4.719 1.00 0.00 C ATOM 728 CG GLU A 45 6.372 11.507 4.772 1.00 0.00 C ATOM 729 CD GLU A 45 6.964 12.296 3.602 1.00 0.00 C ATOM 730 OE1 GLU A 45 6.531 12.120 2.454 1.00 0.00 O ATOM 731 OE2 GLU A 45 7.906 13.117 3.920 1.00 0.00 O ATOM 0 H GLU A 45 3.477 9.522 4.118 1.00 0.00 H new ATOM 0 HA GLU A 45 5.086 10.061 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.509 11.217 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.473 12.522 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.708 11.940 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.737 10.480 4.745 1.00 0.00 H new ATOM 739 N ASP A 46 2.266 11.757 6.414 1.00 0.00 N ATOM 740 CA ASP A 46 1.396 12.502 7.309 1.00 0.00 C ATOM 741 C ASP A 46 0.263 13.137 6.500 1.00 0.00 C ATOM 742 O ASP A 46 -0.844 13.312 7.007 1.00 0.00 O ATOM 743 CB ASP A 46 2.162 13.625 8.012 1.00 0.00 C ATOM 744 CG ASP A 46 3.367 14.167 7.241 1.00 0.00 C ATOM 745 OD1 ASP A 46 3.216 14.882 6.239 1.00 0.00 O ATOM 746 OD2 ASP A 46 4.516 13.824 7.715 1.00 0.00 O ATOM 0 H ASP A 46 1.885 11.601 5.481 1.00 0.00 H new ATOM 0 HA ASP A 46 1.006 11.809 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.474 14.448 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.504 13.260 8.981 1.00 0.00 H new ATOM 752 N ASP A 47 0.578 13.464 5.255 1.00 0.00 N ATOM 753 CA ASP A 47 -0.400 14.076 4.372 1.00 0.00 C ATOM 754 C ASP A 47 -1.765 13.422 4.599 1.00 0.00 C ATOM 755 O ASP A 47 -2.799 14.071 4.453 1.00 0.00 O ATOM 756 CB ASP A 47 -0.018 13.875 2.904 1.00 0.00 C ATOM 757 CG ASP A 47 -0.245 15.091 2.004 1.00 0.00 C ATOM 758 OD1 ASP A 47 -0.640 16.168 2.474 1.00 0.00 O ATOM 759 OD2 ASP A 47 0.004 14.898 0.753 1.00 0.00 O ATOM 0 H ASP A 47 1.497 13.317 4.837 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.434 15.143 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.034 13.596 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.590 13.036 2.507 1.00 0.00 H new ATOM 765 N GLY A 48 -1.722 12.146 4.952 1.00 0.00 N ATOM 766 CA GLY A 48 -2.943 11.397 5.200 1.00 0.00 C ATOM 767 C GLY A 48 -3.968 11.636 4.090 1.00 0.00 C ATOM 768 O GLY A 48 -3.600 11.904 2.947 1.00 0.00 O ATOM 0 H GLY A 48 -0.862 11.612 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.714 10.333 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.366 11.692 6.160 1.00 0.00 H new ATOM 772 N TYR A 49 -5.234 11.531 4.465 1.00 0.00 N ATOM 773 CA TYR A 49 -6.316 11.732 3.515 1.00 0.00 C ATOM 774 C TYR A 49 -5.959 12.821 2.501 1.00 0.00 C ATOM 775 O TYR A 49 -5.750 13.975 2.872 1.00 0.00 O ATOM 776 CB TYR A 49 -7.520 12.193 4.339 1.00 0.00 C ATOM 777 CG TYR A 49 -8.701 12.677 3.496 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.712 13.965 2.998 1.00 0.00 C ATOM 779 CD2 TYR A 49 -9.756 11.827 3.233 1.00 0.00 C ATOM 780 CE1 TYR A 49 -9.824 14.421 2.205 1.00 0.00 C ATOM 781 CE2 TYR A 49 -10.868 12.283 2.440 1.00 0.00 C ATOM 782 CZ TYR A 49 -10.847 13.558 1.965 1.00 0.00 C ATOM 783 OH TYR A 49 -11.897 13.988 1.216 1.00 0.00 O ATOM 0 H TYR A 49 -5.535 11.309 5.414 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.516 10.815 2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.851 11.369 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.206 12.999 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.886 14.630 3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.748 10.820 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.845 15.426 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.700 11.628 2.227 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.552 13.265 1.126 1.00 0.00 H new ATOM 793 N PHE A 50 -5.901 12.415 1.241 1.00 0.00 N ATOM 794 CA PHE A 50 -5.574 13.342 0.171 1.00 0.00 C ATOM 795 C PHE A 50 -6.335 12.993 -1.109 1.00 0.00 C ATOM 796 O PHE A 50 -7.006 13.845 -1.689 1.00 0.00 O ATOM 797 CB PHE A 50 -4.072 13.211 -0.091 1.00 0.00 C ATOM 798 CG PHE A 50 -3.369 14.542 -0.365 1.00 0.00 C ATOM 799 CD1 PHE A 50 -3.354 15.512 0.587 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.760 14.754 -1.562 1.00 0.00 C ATOM 801 CE1 PHE A 50 -2.702 16.747 0.332 1.00 0.00 C ATOM 802 CE2 PHE A 50 -2.108 15.990 -1.817 1.00 0.00 C ATOM 803 CZ PHE A 50 -2.093 16.960 -0.865 1.00 0.00 C ATOM 0 H PHE A 50 -6.075 11.457 0.937 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.850 14.356 0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.604 12.735 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.919 12.549 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.838 15.343 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.772 13.983 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.690 17.517 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.624 16.159 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.597 17.900 -1.059 1.00 0.00 H new ATOM 813 N CYS A 51 -6.206 11.737 -1.512 1.00 0.00 N ATOM 814 CA CYS A 51 -6.874 11.265 -2.713 1.00 0.00 C ATOM 815 C CYS A 51 -7.688 10.021 -2.352 1.00 0.00 C ATOM 816 O CYS A 51 -7.716 9.608 -1.194 1.00 0.00 O ATOM 817 CB CYS A 51 -5.878 10.988 -3.842 1.00 0.00 C ATOM 818 SG CYS A 51 -4.729 12.400 -4.023 1.00 0.00 S ATOM 0 H CYS A 51 -5.649 11.032 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.543 12.039 -3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.318 10.078 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.413 10.821 -4.777 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.887 12.154 -4.982 1.00 0.00 H new ATOM 824 N THR A 52 -8.330 9.458 -3.365 1.00 0.00 N ATOM 825 CA THR A 52 -9.143 8.270 -3.169 1.00 0.00 C ATOM 826 C THR A 52 -8.977 7.310 -4.349 1.00 0.00 C ATOM 827 O THR A 52 -8.796 7.743 -5.486 1.00 0.00 O ATOM 828 CB THR A 52 -10.589 8.717 -2.949 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.492 9.724 -1.945 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.447 7.628 -2.302 1.00 0.00 C ATOM 0 H THR A 52 -8.304 9.803 -4.325 1.00 0.00 H new ATOM 0 HA THR A 52 -8.823 7.713 -2.289 1.00 0.00 H new ATOM 0 HB THR A 52 -11.028 9.006 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.386 10.071 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.464 7.997 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.462 6.747 -2.944 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.027 7.362 -1.332 1.00 0.00 H new ATOM 838 N ILE A 53 -9.045 6.024 -4.038 1.00 0.00 N ATOM 839 CA ILE A 53 -8.904 4.999 -5.058 1.00 0.00 C ATOM 840 C ILE A 53 -10.015 3.961 -4.888 1.00 0.00 C ATOM 841 O ILE A 53 -10.753 3.991 -3.904 1.00 0.00 O ATOM 842 CB ILE A 53 -7.495 4.402 -5.027 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.372 3.344 -3.930 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.438 5.499 -4.887 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.029 2.030 -4.358 1.00 0.00 C ATOM 0 H ILE A 53 -9.196 5.668 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.020 5.432 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.315 3.901 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.320 3.171 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.840 3.708 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.446 5.048 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.509 6.183 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.605 6.049 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.927 1.295 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.086 2.201 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.542 1.657 -5.259 1.00 0.00 H new ATOM 857 N GLU A 54 -10.100 3.066 -5.862 1.00 0.00 N ATOM 858 CA GLU A 54 -11.108 2.021 -5.833 1.00 0.00 C ATOM 859 C GLU A 54 -10.444 0.643 -5.827 1.00 0.00 C ATOM 860 O GLU A 54 -9.462 0.420 -6.533 1.00 0.00 O ATOM 861 CB GLU A 54 -12.075 2.159 -7.011 1.00 0.00 C ATOM 862 CG GLU A 54 -13.438 2.674 -6.544 1.00 0.00 C ATOM 863 CD GLU A 54 -14.443 2.687 -7.697 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.671 3.741 -8.309 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.996 1.550 -7.951 1.00 0.00 O ATOM 0 H GLU A 54 -9.486 3.044 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.687 2.127 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.658 2.843 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.196 1.193 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.812 2.043 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.331 3.680 -6.138 1.00 0.00 H new ATOM 873 N VAL A 55 -11.006 -0.246 -5.021 1.00 0.00 N ATOM 874 CA VAL A 55 -10.481 -1.597 -4.914 1.00 0.00 C ATOM 875 C VAL A 55 -10.753 -2.350 -6.217 1.00 0.00 C ATOM 876 O VAL A 55 -11.582 -1.927 -7.022 1.00 0.00 O ATOM 877 CB VAL A 55 -11.073 -2.293 -3.687 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.046 -3.220 -3.033 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.606 -1.271 -2.681 1.00 0.00 C ATOM 0 H VAL A 55 -11.820 -0.057 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.401 -1.576 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.911 -2.904 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.493 -3.702 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.734 -3.980 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.179 -2.639 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.021 -1.792 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.793 -0.622 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.384 -0.670 -3.151 1.00 0.00 H new ATOM 889 N THR A 56 -10.039 -3.454 -6.386 1.00 0.00 N ATOM 890 CA THR A 56 -10.194 -4.270 -7.578 1.00 0.00 C ATOM 891 C THR A 56 -10.167 -5.756 -7.214 1.00 0.00 C ATOM 892 O THR A 56 -10.987 -6.533 -7.700 1.00 0.00 O ATOM 893 CB THR A 56 -9.101 -3.868 -8.571 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.526 -4.440 -9.805 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.765 -4.556 -8.282 1.00 0.00 C ATOM 0 H THR A 56 -9.352 -3.802 -5.717 1.00 0.00 H new ATOM 0 HA THR A 56 -11.162 -4.101 -8.051 1.00 0.00 H new ATOM 0 HB THR A 56 -8.966 -2.787 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.875 -4.227 -10.506 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.025 -4.236 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.425 -4.286 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.892 -5.637 -8.342 1.00 0.00 H new ATOM 903 N ALA A 57 -9.215 -6.107 -6.361 1.00 0.00 N ATOM 904 CA ALA A 57 -9.071 -7.486 -5.926 1.00 0.00 C ATOM 905 C ALA A 57 -8.537 -7.510 -4.492 1.00 0.00 C ATOM 906 O ALA A 57 -8.122 -6.481 -3.963 1.00 0.00 O ATOM 907 CB ALA A 57 -8.160 -8.236 -6.900 1.00 0.00 C ATOM 0 H ALA A 57 -8.536 -5.460 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.036 -7.992 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.052 -9.270 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.598 -8.214 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.180 -7.759 -6.923 1.00 0.00 H new ATOM 913 N THR A 58 -8.566 -8.698 -3.905 1.00 0.00 N ATOM 914 CA THR A 58 -8.090 -8.870 -2.543 1.00 0.00 C ATOM 915 C THR A 58 -7.620 -10.309 -2.320 1.00 0.00 C ATOM 916 O THR A 58 -8.178 -11.244 -2.894 1.00 0.00 O ATOM 917 CB THR A 58 -9.211 -8.443 -1.593 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.095 -7.024 -1.536 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.961 -8.895 -0.152 1.00 0.00 C ATOM 0 H THR A 58 -8.911 -9.550 -4.347 1.00 0.00 H new ATOM 0 HA THR A 58 -7.220 -8.243 -2.346 1.00 0.00 H new ATOM 0 HB THR A 58 -10.159 -8.852 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.464 -6.720 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.786 -8.567 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.889 -9.982 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.030 -8.459 0.210 1.00 0.00 H new ATOM 927 N SER A 59 -6.600 -10.442 -1.486 1.00 0.00 N ATOM 928 CA SER A 59 -6.049 -11.751 -1.180 1.00 0.00 C ATOM 929 C SER A 59 -5.322 -11.712 0.166 1.00 0.00 C ATOM 930 O SER A 59 -5.091 -10.638 0.720 1.00 0.00 O ATOM 931 CB SER A 59 -5.098 -12.220 -2.283 1.00 0.00 C ATOM 932 OG SER A 59 -4.764 -11.167 -3.183 1.00 0.00 O ATOM 0 H SER A 59 -6.140 -9.664 -1.012 1.00 0.00 H new ATOM 0 HA SER A 59 -6.872 -12.463 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.187 -12.615 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.560 -13.037 -2.837 1.00 0.00 H new ATOM 0 HG SER A 59 -4.154 -11.506 -3.871 1.00 0.00 H new ATOM 938 N THR A 60 -4.982 -12.896 0.653 1.00 0.00 N ATOM 939 CA THR A 60 -4.286 -13.011 1.924 1.00 0.00 C ATOM 940 C THR A 60 -2.865 -13.537 1.708 1.00 0.00 C ATOM 941 O THR A 60 -2.672 -14.721 1.440 1.00 0.00 O ATOM 942 CB THR A 60 -5.128 -13.895 2.846 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.910 -14.683 1.952 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.162 -13.095 3.640 1.00 0.00 C ATOM 0 H THR A 60 -5.175 -13.784 0.191 1.00 0.00 H new ATOM 0 HA THR A 60 -4.170 -12.038 2.401 1.00 0.00 H new ATOM 0 HB THR A 60 -4.473 -14.427 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.485 -15.287 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.732 -13.770 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.653 -12.355 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.838 -12.589 2.951 1.00 0.00 H new ATOM 952 N VAL A 61 -1.908 -12.630 1.834 1.00 0.00 N ATOM 953 CA VAL A 61 -0.511 -12.987 1.656 1.00 0.00 C ATOM 954 C VAL A 61 0.367 -11.991 2.417 1.00 0.00 C ATOM 955 O VAL A 61 -0.132 -11.004 2.956 1.00 0.00 O ATOM 956 CB VAL A 61 -0.175 -13.062 0.165 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.844 -14.169 -0.112 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.441 -13.259 -0.672 1.00 0.00 C ATOM 0 H VAL A 61 -2.072 -11.648 2.057 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.315 -13.976 2.070 1.00 0.00 H new ATOM 0 HB VAL A 61 0.275 -12.113 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.065 -14.201 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.760 -13.967 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.433 -15.129 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.175 -13.309 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.932 -14.187 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.119 -12.422 -0.508 1.00 0.00 H new ATOM 968 N THR A 62 1.659 -12.283 2.436 1.00 0.00 N ATOM 969 CA THR A 62 2.610 -11.425 3.121 1.00 0.00 C ATOM 970 C THR A 62 2.784 -10.108 2.362 1.00 0.00 C ATOM 971 O THR A 62 1.912 -9.713 1.590 1.00 0.00 O ATOM 972 CB THR A 62 3.915 -12.206 3.290 1.00 0.00 C ATOM 973 OG1 THR A 62 3.493 -13.558 3.449 1.00 0.00 O ATOM 974 CG2 THR A 62 4.627 -11.881 4.604 1.00 0.00 C ATOM 0 H THR A 62 2.070 -13.102 1.988 1.00 0.00 H new ATOM 0 HA THR A 62 2.250 -11.147 4.112 1.00 0.00 H new ATOM 0 HB THR A 62 4.579 -11.987 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.253 -14.106 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.547 -12.462 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.866 -10.818 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.976 -12.131 5.442 1.00 0.00 H new ATOM 982 N LEU A 63 3.916 -9.466 2.608 1.00 0.00 N ATOM 983 CA LEU A 63 4.216 -8.201 1.957 1.00 0.00 C ATOM 984 C LEU A 63 5.163 -8.450 0.781 1.00 0.00 C ATOM 985 O LEU A 63 4.761 -8.344 -0.377 1.00 0.00 O ATOM 986 CB LEU A 63 4.749 -7.189 2.973 1.00 0.00 C ATOM 987 CG LEU A 63 5.808 -7.711 3.947 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.136 -6.976 3.759 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.309 -7.632 5.392 1.00 0.00 C ATOM 0 H LEU A 63 4.637 -9.797 3.249 1.00 0.00 H new ATOM 0 HA LEU A 63 3.308 -7.758 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.170 -6.344 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.908 -6.808 3.552 1.00 0.00 H new ATOM 0 HG LEU A 63 5.988 -8.763 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.871 -7.366 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.494 -7.126 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.991 -5.911 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.080 -8.009 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.084 -6.595 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.408 -8.235 5.499 1.00 0.00 H new ATOM 1001 N ASP A 64 6.402 -8.775 1.119 1.00 0.00 N ATOM 1002 CA ASP A 64 7.409 -9.040 0.105 1.00 0.00 C ATOM 1003 C ASP A 64 6.902 -10.132 -0.838 1.00 0.00 C ATOM 1004 O ASP A 64 7.526 -10.413 -1.860 1.00 0.00 O ATOM 1005 CB ASP A 64 8.712 -9.530 0.739 1.00 0.00 C ATOM 1006 CG ASP A 64 9.989 -8.967 0.110 1.00 0.00 C ATOM 1007 OD1 ASP A 64 10.991 -8.731 0.801 1.00 0.00 O ATOM 1008 OD2 ASP A 64 9.927 -8.768 -1.163 1.00 0.00 O ATOM 0 H ASP A 64 6.732 -8.861 2.080 1.00 0.00 H new ATOM 0 HA ASP A 64 7.597 -8.112 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.703 -9.272 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.743 -10.618 0.676 1.00 0.00 H new ATOM 1014 N THR A 65 5.775 -10.718 -0.462 1.00 0.00 N ATOM 1015 CA THR A 65 5.177 -11.773 -1.263 1.00 0.00 C ATOM 1016 C THR A 65 4.406 -11.176 -2.442 1.00 0.00 C ATOM 1017 O THR A 65 3.844 -11.909 -3.255 1.00 0.00 O ATOM 1018 CB THR A 65 4.308 -12.631 -0.341 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.658 -11.685 0.503 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.139 -13.481 0.623 1.00 0.00 C ATOM 0 H THR A 65 5.260 -10.483 0.386 1.00 0.00 H new ATOM 0 HA THR A 65 5.939 -12.414 -1.705 1.00 0.00 H new ATOM 0 HB THR A 65 3.672 -13.281 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.124 -11.072 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.474 -14.070 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.786 -14.149 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.750 -12.830 1.248 1.00 0.00 H new ATOM 1028 N LEU A 66 4.405 -9.853 -2.498 1.00 0.00 N ATOM 1029 CA LEU A 66 3.712 -9.149 -3.564 1.00 0.00 C ATOM 1030 C LEU A 66 3.942 -7.644 -3.410 1.00 0.00 C ATOM 1031 O LEU A 66 4.113 -6.934 -4.399 1.00 0.00 O ATOM 1032 CB LEU A 66 2.235 -9.545 -3.596 1.00 0.00 C ATOM 1033 CG LEU A 66 1.452 -9.321 -2.301 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.779 -7.947 -2.299 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.448 -10.451 -2.064 1.00 0.00 C ATOM 0 H LEU A 66 4.873 -9.249 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 66 4.116 -9.436 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.747 -8.985 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.168 -10.600 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 66 2.156 -9.337 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.229 -7.813 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.538 -7.170 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.090 -7.878 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.095 -10.267 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.256 -10.492 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.979 -11.400 -1.991 1.00 0.00 H new ATOM 1047 N THR A 67 3.939 -7.203 -2.160 1.00 0.00 N ATOM 1048 CA THR A 67 4.145 -5.795 -1.864 1.00 0.00 C ATOM 1049 C THR A 67 5.250 -5.219 -2.752 1.00 0.00 C ATOM 1050 O THR A 67 6.149 -5.942 -3.179 1.00 0.00 O ATOM 1051 CB THR A 67 4.439 -5.665 -0.368 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.970 -4.362 -0.034 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.939 -5.610 -0.068 1.00 0.00 C ATOM 0 H THR A 67 3.797 -7.795 -1.342 1.00 0.00 H new ATOM 0 HA THR A 67 3.253 -5.209 -2.088 1.00 0.00 H new ATOM 0 HB THR A 67 3.994 -6.506 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.261 -4.132 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.092 -5.518 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.415 -6.523 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.380 -4.750 -0.572 1.00 0.00 H new ATOM 1061 N GLU A 68 5.145 -3.923 -3.005 1.00 0.00 N ATOM 1062 CA GLU A 68 6.124 -3.241 -3.835 1.00 0.00 C ATOM 1063 C GLU A 68 7.538 -3.505 -3.313 1.00 0.00 C ATOM 1064 O GLU A 68 8.509 -3.405 -4.062 1.00 0.00 O ATOM 1065 CB GLU A 68 5.836 -1.740 -3.903 1.00 0.00 C ATOM 1066 CG GLU A 68 5.018 -1.395 -5.149 1.00 0.00 C ATOM 1067 CD GLU A 68 5.887 -0.704 -6.202 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.673 0.193 -5.865 1.00 0.00 O ATOM 1069 OE2 GLU A 68 5.725 -1.132 -7.408 1.00 0.00 O ATOM 0 H GLU A 68 4.397 -3.327 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 68 6.051 -3.637 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.294 -1.429 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.775 -1.186 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.586 -2.304 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.187 -0.745 -4.874 1.00 0.00 H new ATOM 1077 N LYS A 69 7.610 -3.837 -2.033 1.00 0.00 N ATOM 1078 CA LYS A 69 8.889 -4.115 -1.402 1.00 0.00 C ATOM 1079 C LYS A 69 9.676 -5.100 -2.269 1.00 0.00 C ATOM 1080 O LYS A 69 10.897 -4.998 -2.379 1.00 0.00 O ATOM 1081 CB LYS A 69 8.684 -4.591 0.038 1.00 0.00 C ATOM 1082 CG LYS A 69 10.011 -4.621 0.799 1.00 0.00 C ATOM 1083 CD LYS A 69 10.114 -5.873 1.672 1.00 0.00 C ATOM 1084 CE LYS A 69 11.468 -5.937 2.381 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.439 -6.946 3.464 1.00 0.00 N ATOM 0 H LYS A 69 6.803 -3.920 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 69 9.485 -3.205 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.983 -3.929 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.239 -5.586 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.840 -4.597 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.097 -3.731 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.312 -5.873 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.980 -6.762 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.249 -6.187 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.716 -4.959 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.366 -6.977 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.707 -6.691 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.224 -7.881 3.062 1.00 0.00 H new ATOM 1098 N HIS A 70 8.945 -6.033 -2.862 1.00 0.00 N ATOM 1099 CA HIS A 70 9.559 -7.035 -3.715 1.00 0.00 C ATOM 1100 C HIS A 70 10.132 -6.364 -4.965 1.00 0.00 C ATOM 1101 O HIS A 70 11.290 -6.584 -5.317 1.00 0.00 O ATOM 1102 CB HIS A 70 8.566 -8.151 -4.044 1.00 0.00 C ATOM 1103 CG HIS A 70 9.199 -9.374 -4.665 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.516 -10.564 -4.841 1.00 0.00 N ATOM 1105 CD2 HIS A 70 10.458 -9.576 -5.151 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.337 -11.438 -5.406 1.00 0.00 C ATOM 1107 NE2 HIS A 70 10.540 -10.823 -5.598 1.00 0.00 N ATOM 0 H HIS A 70 7.933 -6.115 -2.768 1.00 0.00 H new ATOM 0 HA HIS A 70 10.387 -7.509 -3.187 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.051 -8.446 -3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.809 -7.761 -4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.253 -8.845 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.096 -12.458 -5.668 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.366 -11.251 -6.016 1.00 0.00 H new ATOM 1115 N ALA A 71 9.294 -5.559 -5.602 1.00 0.00 N ATOM 1116 CA ALA A 71 9.703 -4.854 -6.805 1.00 0.00 C ATOM 1117 C ALA A 71 10.974 -4.053 -6.516 1.00 0.00 C ATOM 1118 O ALA A 71 11.921 -4.081 -7.300 1.00 0.00 O ATOM 1119 CB ALA A 71 8.554 -3.968 -7.293 1.00 0.00 C ATOM 0 H ALA A 71 8.334 -5.379 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 71 9.933 -5.560 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.860 -3.439 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.685 -4.588 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.297 -3.245 -6.518 1.00 0.00 H new ATOM 1125 N GLU A 72 10.954 -3.359 -5.387 1.00 0.00 N ATOM 1126 CA GLU A 72 12.093 -2.553 -4.984 1.00 0.00 C ATOM 1127 C GLU A 72 13.294 -3.448 -4.674 1.00 0.00 C ATOM 1128 O GLU A 72 14.418 -3.144 -5.070 1.00 0.00 O ATOM 1129 CB GLU A 72 11.743 -1.670 -3.785 1.00 0.00 C ATOM 1130 CG GLU A 72 12.011 -0.195 -4.092 1.00 0.00 C ATOM 1131 CD GLU A 72 11.124 0.713 -3.238 1.00 0.00 C ATOM 1132 OE1 GLU A 72 11.637 1.464 -2.394 1.00 0.00 O ATOM 1133 OE2 GLU A 72 9.860 0.620 -3.475 1.00 0.00 O ATOM 0 H GLU A 72 10.167 -3.339 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 72 12.359 -1.896 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.694 -1.806 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.330 -1.977 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.060 0.034 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.826 -0.000 -5.148 1.00 0.00 H new ATOM 1141 N GLN A 73 13.016 -4.534 -3.968 1.00 0.00 N ATOM 1142 CA GLN A 73 14.060 -5.476 -3.601 1.00 0.00 C ATOM 1143 C GLN A 73 14.905 -5.835 -4.824 1.00 0.00 C ATOM 1144 O GLN A 73 16.117 -6.017 -4.714 1.00 0.00 O ATOM 1145 CB GLN A 73 13.465 -6.730 -2.957 1.00 0.00 C ATOM 1146 CG GLN A 73 14.323 -7.204 -1.783 1.00 0.00 C ATOM 1147 CD GLN A 73 14.662 -8.690 -1.916 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.973 -9.558 -1.405 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.758 -8.934 -2.629 1.00 0.00 N ATOM 0 H GLN A 73 12.083 -4.783 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 73 14.708 -5.002 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.453 -6.520 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.389 -7.524 -3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.242 -6.620 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.792 -7.031 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 73 16.289 -8.160 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.068 -9.895 -2.776 1.00 0.00 H new ATOM 1158 N GLU A 74 14.233 -5.928 -5.962 1.00 0.00 N ATOM 1159 CA GLU A 74 14.907 -6.263 -7.205 1.00 0.00 C ATOM 1160 C GLU A 74 15.376 -4.990 -7.913 1.00 0.00 C ATOM 1161 O GLU A 74 15.619 -5.001 -9.119 1.00 0.00 O ATOM 1162 CB GLU A 74 14.000 -7.094 -8.114 1.00 0.00 C ATOM 1163 CG GLU A 74 14.580 -7.191 -9.526 1.00 0.00 C ATOM 1164 CD GLU A 74 14.153 -8.494 -10.206 1.00 0.00 C ATOM 1165 OE1 GLU A 74 13.145 -8.514 -10.929 1.00 0.00 O ATOM 1166 OE2 GLU A 74 14.910 -9.509 -9.963 1.00 0.00 O ATOM 0 H GLU A 74 13.228 -5.777 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 74 15.782 -6.869 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.879 -8.094 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.008 -6.643 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.245 -6.340 -10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.668 -7.140 -9.480 1.00 0.00 H new ATOM 1174 N ASN A 75 15.490 -3.925 -7.134 1.00 0.00 N ATOM 1175 CA ASN A 75 15.925 -2.647 -7.672 1.00 0.00 C ATOM 1176 C ASN A 75 16.796 -1.933 -6.637 1.00 0.00 C ATOM 1177 O ASN A 75 17.971 -1.667 -6.886 1.00 0.00 O ATOM 1178 CB ASN A 75 14.730 -1.746 -7.987 1.00 0.00 C ATOM 1179 CG ASN A 75 15.080 -0.731 -9.077 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.235 -0.442 -9.344 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.022 -0.207 -9.689 1.00 0.00 N ATOM 0 H ASN A 75 15.289 -3.920 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 75 16.482 -2.839 -8.589 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.886 -2.355 -8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.417 -1.222 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.151 0.481 -10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.082 -0.493 -9.416 1.00 0.00 H new ATOM 1188 N MET A 76 16.187 -1.642 -5.497 1.00 0.00 N ATOM 1189 CA MET A 76 16.892 -0.964 -4.423 1.00 0.00 C ATOM 1190 C MET A 76 17.560 -1.971 -3.484 1.00 0.00 C ATOM 1191 O MET A 76 17.433 -3.180 -3.673 1.00 0.00 O ATOM 1192 CB MET A 76 15.907 -0.102 -3.630 1.00 0.00 C ATOM 1193 CG MET A 76 15.200 0.902 -4.542 1.00 0.00 C ATOM 1194 SD MET A 76 16.396 1.998 -5.288 1.00 0.00 S ATOM 1195 CE MET A 76 16.302 1.452 -6.984 1.00 0.00 C ATOM 0 H MET A 76 15.212 -1.864 -5.294 1.00 0.00 H new ATOM 0 HA MET A 76 17.667 -0.336 -4.862 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.169 -0.740 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.438 0.430 -2.840 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.646 0.373 -5.318 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.474 1.479 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.525 2.287 -7.648 1.00 0.00 H new ATOM 0 HE2 MET A 76 17.025 0.653 -7.150 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.298 1.082 -7.192 1.00 0.00 H new ATOM 1205 N THR A 77 18.257 -1.435 -2.493 1.00 0.00 N ATOM 1206 CA THR A 77 18.946 -2.271 -1.525 1.00 0.00 C ATOM 1207 C THR A 77 18.004 -2.646 -0.379 1.00 0.00 C ATOM 1208 O THR A 77 16.847 -2.228 -0.359 1.00 0.00 O ATOM 1209 CB THR A 77 20.199 -1.525 -1.062 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.637 -2.258 0.079 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.882 -0.133 -0.512 1.00 0.00 C ATOM 0 H THR A 77 18.359 -0.432 -2.340 1.00 0.00 H new ATOM 0 HA THR A 77 19.259 -3.216 -1.970 1.00 0.00 H new ATOM 0 HB THR A 77 20.897 -1.436 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.447 -1.844 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.806 0.353 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.403 0.464 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.211 -0.223 0.342 1.00 0.00 H new ATOM 1219 N LEU A 78 18.534 -3.430 0.548 1.00 0.00 N ATOM 1220 CA LEU A 78 17.755 -3.865 1.695 1.00 0.00 C ATOM 1221 C LEU A 78 17.482 -2.667 2.606 1.00 0.00 C ATOM 1222 O LEU A 78 16.398 -2.551 3.176 1.00 0.00 O ATOM 1223 CB LEU A 78 18.450 -5.030 2.403 1.00 0.00 C ATOM 1224 CG LEU A 78 17.802 -6.405 2.228 1.00 0.00 C ATOM 1225 CD1 LEU A 78 17.972 -6.912 0.795 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.342 -7.400 3.257 1.00 0.00 C ATOM 0 H LEU A 78 19.494 -3.775 0.528 1.00 0.00 H new ATOM 0 HA LEU A 78 16.786 -4.248 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.478 -5.086 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.497 -4.806 3.469 1.00 0.00 H new ATOM 0 HG LEU A 78 16.732 -6.305 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.503 -7.891 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.501 -6.213 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.034 -6.994 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.865 -8.369 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.420 -7.503 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.126 -7.037 4.262 1.00 0.00 H new ATOM 1238 N THR A 79 18.482 -1.805 2.713 1.00 0.00 N ATOM 1239 CA THR A 79 18.363 -0.620 3.545 1.00 0.00 C ATOM 1240 C THR A 79 17.155 0.214 3.114 1.00 0.00 C ATOM 1241 O THR A 79 16.264 0.484 3.918 1.00 0.00 O ATOM 1242 CB THR A 79 19.687 0.145 3.471 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.558 -0.586 4.330 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.600 1.529 4.117 1.00 0.00 C ATOM 0 H THR A 79 19.379 -1.904 2.237 1.00 0.00 H new ATOM 0 HA THR A 79 18.182 -0.884 4.587 1.00 0.00 H new ATOM 0 HB THR A 79 19.989 0.250 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.441 -0.160 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.565 2.029 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.841 2.122 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.332 1.424 5.168 1.00 0.00 H new ATOM 1252 N GLU A 80 17.164 0.600 1.846 1.00 0.00 N ATOM 1253 CA GLU A 80 16.080 1.398 1.299 1.00 0.00 C ATOM 1254 C GLU A 80 14.736 0.713 1.553 1.00 0.00 C ATOM 1255 O GLU A 80 13.773 1.360 1.963 1.00 0.00 O ATOM 1256 CB GLU A 80 16.290 1.657 -0.194 1.00 0.00 C ATOM 1257 CG GLU A 80 16.554 3.140 -0.461 1.00 0.00 C ATOM 1258 CD GLU A 80 16.144 3.522 -1.885 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.137 3.012 -2.398 1.00 0.00 O ATOM 1260 OE2 GLU A 80 16.913 4.383 -2.462 1.00 0.00 O ATOM 0 H GLU A 80 17.905 0.375 1.182 1.00 0.00 H new ATOM 0 HA GLU A 80 16.074 2.364 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.130 1.064 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.410 1.335 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.000 3.746 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.612 3.357 -0.313 1.00 0.00 H new ATOM 1268 N LEU A 81 14.713 -0.587 1.300 1.00 0.00 N ATOM 1269 CA LEU A 81 13.503 -1.367 1.496 1.00 0.00 C ATOM 1270 C LEU A 81 13.071 -1.270 2.960 1.00 0.00 C ATOM 1271 O LEU A 81 11.879 -1.295 3.262 1.00 0.00 O ATOM 1272 CB LEU A 81 13.706 -2.803 1.008 1.00 0.00 C ATOM 1273 CG LEU A 81 13.244 -3.098 -0.420 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.302 -4.598 -0.717 1.00 0.00 C ATOM 1275 CD2 LEU A 81 11.853 -2.516 -0.678 1.00 0.00 C ATOM 0 H LEU A 81 15.514 -1.120 0.961 1.00 0.00 H new ATOM 0 HA LEU A 81 12.688 -0.963 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.766 -3.045 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.178 -3.474 1.685 1.00 0.00 H new ATOM 0 HG LEU A 81 13.931 -2.607 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.968 -4.780 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.326 -4.952 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.653 -5.132 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.549 -2.740 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.139 -2.957 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.878 -1.436 -0.536 1.00 0.00 H new ATOM 1287 N LYS A 82 14.064 -1.162 3.831 1.00 0.00 N ATOM 1288 CA LYS A 82 13.801 -1.061 5.257 1.00 0.00 C ATOM 1289 C LYS A 82 13.219 0.319 5.567 1.00 0.00 C ATOM 1290 O LYS A 82 12.388 0.459 6.464 1.00 0.00 O ATOM 1291 CB LYS A 82 15.062 -1.391 6.058 1.00 0.00 C ATOM 1292 CG LYS A 82 14.734 -2.293 7.250 1.00 0.00 C ATOM 1293 CD LYS A 82 15.874 -3.276 7.524 1.00 0.00 C ATOM 1294 CE LYS A 82 15.976 -3.594 9.017 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.580 -4.996 9.276 1.00 0.00 N ATOM 0 H LYS A 82 15.052 -1.142 3.577 1.00 0.00 H new ATOM 0 HA LYS A 82 13.056 -1.797 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.788 -1.885 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.524 -0.469 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.556 -1.682 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.814 -2.843 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.709 -4.196 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.816 -2.854 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.997 -3.429 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.335 -2.918 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.655 -5.195 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.598 -5.142 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.208 -5.637 8.751 1.00 0.00 H new ATOM 1308 N LYS A 83 13.677 1.304 4.809 1.00 0.00 N ATOM 1309 CA LYS A 83 13.212 2.668 4.992 1.00 0.00 C ATOM 1310 C LYS A 83 11.741 2.760 4.580 1.00 0.00 C ATOM 1311 O LYS A 83 10.907 3.238 5.347 1.00 0.00 O ATOM 1312 CB LYS A 83 14.121 3.649 4.249 1.00 0.00 C ATOM 1313 CG LYS A 83 14.623 4.749 5.186 1.00 0.00 C ATOM 1314 CD LYS A 83 13.497 5.722 5.542 1.00 0.00 C ATOM 1315 CE LYS A 83 14.015 6.861 6.423 1.00 0.00 C ATOM 1316 NZ LYS A 83 12.909 7.769 6.798 1.00 0.00 N ATOM 0 H LYS A 83 14.366 1.184 4.066 1.00 0.00 H new ATOM 0 HA LYS A 83 13.268 2.952 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.970 3.113 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.577 4.096 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.023 4.302 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.440 5.291 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.063 6.131 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.701 5.188 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.478 6.452 7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.787 7.418 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.277 8.536 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.485 8.173 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.186 7.237 7.324 1.00 0.00 H new ATOM 1329 N VAL A 84 11.468 2.296 3.369 1.00 0.00 N ATOM 1330 CA VAL A 84 10.113 2.320 2.846 1.00 0.00 C ATOM 1331 C VAL A 84 9.227 1.404 3.694 1.00 0.00 C ATOM 1332 O VAL A 84 8.107 1.770 4.047 1.00 0.00 O ATOM 1333 CB VAL A 84 10.117 1.943 1.364 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.182 2.733 0.600 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.317 0.437 1.182 1.00 0.00 C ATOM 0 H VAL A 84 12.163 1.901 2.735 1.00 0.00 H new ATOM 0 HA VAL A 84 9.697 3.325 2.910 1.00 0.00 H new ATOM 0 HB VAL A 84 9.144 2.205 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.164 2.446 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.977 3.800 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.165 2.517 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.316 0.196 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.270 0.141 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.508 -0.100 1.677 1.00 0.00 H new ATOM 1345 N ILE A 85 9.763 0.230 3.995 1.00 0.00 N ATOM 1346 CA ILE A 85 9.036 -0.741 4.795 1.00 0.00 C ATOM 1347 C ILE A 85 8.652 -0.109 6.134 1.00 0.00 C ATOM 1348 O ILE A 85 7.541 -0.307 6.623 1.00 0.00 O ATOM 1349 CB ILE A 85 9.843 -2.033 4.934 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.826 -2.834 3.630 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.352 -2.862 6.122 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.660 -3.825 3.611 1.00 0.00 C ATOM 0 H ILE A 85 10.692 -0.070 3.699 1.00 0.00 H new ATOM 0 HA ILE A 85 8.108 -1.024 4.298 1.00 0.00 H new ATOM 0 HB ILE A 85 10.881 -1.767 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.744 -2.154 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.767 -3.372 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.943 -3.775 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.460 -2.283 7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.303 -3.120 5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.671 -4.381 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.758 -4.519 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.719 -3.282 3.700 1.00 0.00 H new ATOM 1364 N ALA A 86 9.594 0.640 6.690 1.00 0.00 N ATOM 1365 CA ALA A 86 9.368 1.303 7.963 1.00 0.00 C ATOM 1366 C ALA A 86 8.389 2.462 7.763 1.00 0.00 C ATOM 1367 O ALA A 86 7.682 2.848 8.692 1.00 0.00 O ATOM 1368 CB ALA A 86 10.707 1.764 8.543 1.00 0.00 C ATOM 0 H ALA A 86 10.515 0.802 6.282 1.00 0.00 H new ATOM 0 HA ALA A 86 8.921 0.615 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.538 2.261 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.355 0.901 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.183 2.459 7.851 1.00 0.00 H new ATOM 1374 N ASP A 87 8.380 2.984 6.545 1.00 0.00 N ATOM 1375 CA ASP A 87 7.500 4.090 6.212 1.00 0.00 C ATOM 1376 C ASP A 87 6.092 3.554 5.945 1.00 0.00 C ATOM 1377 O ASP A 87 5.106 4.262 6.144 1.00 0.00 O ATOM 1378 CB ASP A 87 7.977 4.813 4.951 1.00 0.00 C ATOM 1379 CG ASP A 87 8.145 6.327 5.098 1.00 0.00 C ATOM 1380 OD1 ASP A 87 9.271 6.846 5.113 1.00 0.00 O ATOM 1381 OD2 ASP A 87 7.043 6.990 5.200 1.00 0.00 O ATOM 0 H ASP A 87 8.968 2.661 5.777 1.00 0.00 H new ATOM 0 HA ASP A 87 7.503 4.787 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.931 4.385 4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.267 4.618 4.148 1.00 0.00 H new ATOM 1387 N ILE A 88 6.043 2.308 5.499 1.00 0.00 N ATOM 1388 CA ILE A 88 4.772 1.668 5.203 1.00 0.00 C ATOM 1389 C ILE A 88 4.228 1.012 6.474 1.00 0.00 C ATOM 1390 O ILE A 88 3.120 1.321 6.911 1.00 0.00 O ATOM 1391 CB ILE A 88 4.920 0.701 4.027 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.673 0.722 3.140 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.253 -0.710 4.515 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.048 0.915 1.670 1.00 0.00 C ATOM 0 H ILE A 88 6.863 1.724 5.335 1.00 0.00 H new ATOM 0 HA ILE A 88 4.037 2.408 4.886 1.00 0.00 H new ATOM 0 HB ILE A 88 5.757 1.035 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.122 -0.211 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.010 1.526 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.353 -1.377 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.190 -0.691 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.454 -1.069 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.143 0.926 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.577 1.860 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.691 0.096 1.348 1.00 0.00 H new ATOM 1406 N TYR A 89 5.032 0.119 7.031 1.00 0.00 N ATOM 1407 CA TYR A 89 4.645 -0.583 8.243 1.00 0.00 C ATOM 1408 C TYR A 89 5.526 -1.814 8.468 1.00 0.00 C ATOM 1409 O TYR A 89 5.932 -2.474 7.514 1.00 0.00 O ATOM 1410 CB TYR A 89 3.201 -1.038 8.024 1.00 0.00 C ATOM 1411 CG TYR A 89 2.969 -1.756 6.693 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.489 -3.018 6.491 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.241 -1.141 5.695 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.271 -3.694 5.238 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.023 -1.817 4.442 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.549 -3.060 4.276 1.00 0.00 C ATOM 1417 OH TYR A 89 2.343 -3.698 3.093 1.00 0.00 O ATOM 0 H TYR A 89 5.950 -0.135 6.666 1.00 0.00 H new ATOM 0 HA TYR A 89 4.752 0.065 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.913 -1.703 8.838 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.545 -0.169 8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.059 -3.499 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.835 -0.153 5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.672 -4.682 5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.455 -1.348 3.653 1.00 0.00 H new ATOM 0 HH TYR A 89 1.810 -3.126 2.502 1.00 0.00 H new ATOM 1427 N PRO A 90 5.802 -2.093 9.771 1.00 0.00 N ATOM 1428 CA PRO A 90 6.627 -3.232 10.134 1.00 0.00 C ATOM 1429 C PRO A 90 5.850 -4.542 9.982 1.00 0.00 C ATOM 1430 O PRO A 90 4.817 -4.581 9.315 1.00 0.00 O ATOM 1431 CB PRO A 90 7.063 -2.962 11.565 1.00 0.00 C ATOM 1432 CG PRO A 90 6.096 -1.922 12.106 1.00 0.00 C ATOM 1433 CD PRO A 90 5.337 -1.333 10.928 1.00 0.00 C ATOM 0 HA PRO A 90 7.494 -3.348 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.030 -3.874 12.162 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.089 -2.596 11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.405 -2.376 12.816 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.636 -1.141 12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.260 -1.433 11.061 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.547 -0.269 10.814 1.00 0.00 H new ATOM 1441 N GLY A 91 6.377 -5.581 10.612 1.00 0.00 N ATOM 1442 CA GLY A 91 5.746 -6.889 10.556 1.00 0.00 C ATOM 1443 C GLY A 91 6.060 -7.593 9.234 1.00 0.00 C ATOM 1444 O GLY A 91 5.607 -7.163 8.175 1.00 0.00 O ATOM 0 H GLY A 91 7.234 -5.544 11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.093 -7.500 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.667 -6.781 10.668 1.00 0.00 H new ATOM 1448 N GLN A 92 6.834 -8.663 9.340 1.00 0.00 N ATOM 1449 CA GLN A 92 7.214 -9.431 8.167 1.00 0.00 C ATOM 1450 C GLN A 92 6.626 -10.842 8.242 1.00 0.00 C ATOM 1451 O GLN A 92 7.365 -11.822 8.320 1.00 0.00 O ATOM 1452 CB GLN A 92 8.735 -9.478 8.011 1.00 0.00 C ATOM 1453 CG GLN A 92 9.135 -9.514 6.535 1.00 0.00 C ATOM 1454 CD GLN A 92 9.397 -10.949 6.073 1.00 0.00 C ATOM 1455 OE1 GLN A 92 9.860 -11.795 6.821 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.076 -11.176 4.802 1.00 0.00 N ATOM 0 H GLN A 92 7.208 -9.016 10.221 1.00 0.00 H new ATOM 0 HA GLN A 92 6.807 -8.936 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.180 -8.606 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.129 -10.358 8.520 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.344 -9.072 5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.029 -8.910 6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.692 -10.423 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.213 -12.103 4.399 1.00 0.00 H new ATOM 1465 N THR A 93 5.303 -10.899 8.216 1.00 0.00 N ATOM 1466 CA THR A 93 4.608 -12.173 8.280 1.00 0.00 C ATOM 1467 C THR A 93 3.303 -12.110 7.484 1.00 0.00 C ATOM 1468 O THR A 93 2.714 -11.041 7.335 1.00 0.00 O ATOM 1469 CB THR A 93 4.403 -12.526 9.755 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.393 -11.621 10.191 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.617 -12.173 10.616 1.00 0.00 C ATOM 0 H THR A 93 4.694 -10.083 8.151 1.00 0.00 H new ATOM 0 HA THR A 93 5.195 -12.967 7.819 1.00 0.00 H new ATOM 0 HB THR A 93 4.191 -13.591 9.847 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.197 -11.781 11.138 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.419 -12.444 11.653 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.489 -12.721 10.258 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.810 -11.102 10.551 1.00 0.00 H new ATOM 1479 N GLN A 94 2.890 -13.269 6.993 1.00 0.00 N ATOM 1480 CA GLN A 94 1.666 -13.359 6.215 1.00 0.00 C ATOM 1481 C GLN A 94 0.601 -12.423 6.792 1.00 0.00 C ATOM 1482 O GLN A 94 0.475 -12.295 8.008 1.00 0.00 O ATOM 1483 CB GLN A 94 1.156 -14.801 6.159 1.00 0.00 C ATOM 1484 CG GLN A 94 1.943 -15.621 5.136 1.00 0.00 C ATOM 1485 CD GLN A 94 2.208 -17.036 5.654 1.00 0.00 C ATOM 1486 OE1 GLN A 94 1.733 -17.440 6.703 1.00 0.00 O ATOM 1487 NE2 GLN A 94 2.989 -17.765 4.862 1.00 0.00 N ATOM 0 H GLN A 94 3.381 -14.154 7.119 1.00 0.00 H new ATOM 0 HA GLN A 94 1.884 -13.046 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.244 -15.260 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.098 -14.806 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.387 -15.671 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.890 -15.126 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.353 -17.365 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.224 -18.724 5.119 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.138 -11.793 5.890 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.188 -10.873 6.293 1.00 0.00 C ATOM 1498 C PHE A 95 -2.186 -10.647 5.156 1.00 0.00 C ATOM 1499 O PHE A 95 -2.063 -11.247 4.089 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.511 -9.544 6.634 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.281 -9.328 8.131 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.327 -9.401 8.997 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.970 -9.063 8.596 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.113 -9.201 10.387 1.00 0.00 C ATOM 1505 CE2 PHE A 95 1.183 -8.863 9.985 1.00 0.00 C ATOM 1506 CZ PHE A 95 0.137 -8.936 10.851 1.00 0.00 C ATOM 0 H PHE A 95 -0.030 -11.902 4.882 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.734 -11.281 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.448 -9.494 6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.122 -8.728 6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.320 -9.611 8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.801 -9.005 7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.943 -9.259 11.075 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.176 -8.653 10.354 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.299 -8.783 11.908 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.152 -9.780 5.423 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.170 -9.468 4.435 1.00 0.00 C ATOM 1518 C TYR A 96 -3.615 -8.545 3.348 1.00 0.00 C ATOM 1519 O TYR A 96 -2.789 -7.677 3.627 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.280 -8.735 5.191 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.638 -9.438 5.139 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.876 -10.538 5.938 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.624 -8.973 4.293 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.154 -11.200 5.889 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.902 -9.635 4.244 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.104 -10.716 5.045 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.311 -11.341 4.999 1.00 0.00 O ATOM 0 H TYR A 96 -3.251 -9.284 6.309 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.524 -10.377 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.981 -8.621 6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.386 -7.732 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.104 -10.902 6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.437 -8.113 3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.353 -12.062 6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.682 -9.281 3.586 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.891 -10.886 4.353 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.090 -8.765 2.131 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.651 -7.964 1.000 1.00 0.00 C ATOM 1539 C VAL A 97 -4.874 -7.497 0.207 1.00 0.00 C ATOM 1540 O VAL A 97 -5.805 -8.268 -0.015 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.655 -8.757 0.152 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.366 -8.039 -1.168 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.363 -9.021 0.928 1.00 0.00 C ATOM 0 H VAL A 97 -4.774 -9.486 1.903 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.126 -7.073 1.344 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.107 -9.721 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.655 -8.624 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.292 -7.926 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.944 -7.055 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.672 -9.586 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.906 -8.072 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.589 -9.593 1.828 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.830 -6.236 -0.198 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.922 -5.657 -0.962 1.00 0.00 C ATOM 1555 C ILE A 98 -5.360 -4.976 -2.211 1.00 0.00 C ATOM 1556 O ILE A 98 -4.563 -4.044 -2.109 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.760 -4.730 -0.080 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.879 -5.284 1.341 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.130 -4.466 -0.709 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.649 -6.606 1.351 1.00 0.00 C ATOM 0 H ILE A 98 -4.055 -5.599 -0.011 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.604 -6.436 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.247 -3.771 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.884 -5.435 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.387 -4.559 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.706 -3.804 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.998 -3.996 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.663 -5.409 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.719 -6.978 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.651 -6.446 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.126 -7.336 0.734 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.796 -5.467 -3.362 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.347 -4.917 -4.629 1.00 0.00 C ATOM 1574 C GLU A 99 -6.356 -3.892 -5.151 1.00 0.00 C ATOM 1575 O GLU A 99 -7.563 -4.064 -4.986 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.111 -6.026 -5.656 1.00 0.00 C ATOM 1577 CG GLU A 99 -3.953 -5.672 -6.590 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.470 -5.125 -7.923 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -5.422 -5.679 -8.492 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -3.847 -4.086 -8.364 1.00 0.00 O ATOM 0 H GLU A 99 -6.456 -6.240 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.396 -4.410 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.895 -6.962 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.018 -6.185 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.311 -4.931 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.342 -6.557 -6.769 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.825 -2.847 -5.770 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.664 -1.795 -6.316 1.00 0.00 C ATOM 1590 C PHE A 100 -6.029 -1.182 -7.566 1.00 0.00 C ATOM 1591 O PHE A 100 -4.886 -1.489 -7.901 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.786 -0.715 -5.239 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.503 0.087 -5.014 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.486 -0.447 -4.286 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.380 1.334 -5.542 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.296 0.298 -4.076 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.189 2.079 -5.333 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.172 1.545 -4.604 1.00 0.00 C ATOM 0 H PHE A 100 -4.824 -2.707 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.636 -2.202 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.587 -0.029 -5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.078 -1.184 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.584 -1.438 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.188 1.758 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.489 -0.126 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.091 3.069 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.266 2.111 -4.445 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.799 -0.325 -8.222 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.327 0.334 -9.428 1.00 0.00 C ATOM 1610 C LYS A 101 -6.903 1.750 -9.489 1.00 0.00 C ATOM 1611 O LYS A 101 -7.970 2.014 -8.937 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.645 -0.513 -10.662 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.137 -0.455 -10.997 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.368 -0.616 -12.500 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.663 0.074 -12.934 1.00 0.00 C ATOM 1616 NZ LYS A 101 -10.079 -0.399 -14.273 1.00 0.00 N ATOM 0 H LYS A 101 -7.746 -0.072 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.242 0.431 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.064 -0.156 -11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.348 -1.547 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.665 -1.242 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.552 0.495 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.526 -0.194 -13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.414 -1.675 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.451 -0.130 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.518 1.154 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.959 0.079 -14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.333 -0.183 -14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.237 -1.426 -14.245 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.171 2.624 -10.164 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.595 4.006 -10.305 1.00 0.00 C ATOM 1631 C CYS A 102 -7.414 4.129 -11.591 1.00 0.00 C ATOM 1632 O CYS A 102 -7.697 3.129 -12.249 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.405 4.967 -10.292 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.794 6.431 -9.264 1.00 0.00 S ATOM 0 H CYS A 102 -5.286 2.401 -10.620 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.214 4.287 -9.453 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.523 4.461 -9.900 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.168 5.279 -11.309 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.776 7.240 -9.258 1.00 0.00 H new ATOM 1640 N LEU A 103 -7.772 5.364 -11.912 1.00 0.00 N ATOM 1641 CA LEU A 103 -8.553 5.630 -13.108 1.00 0.00 C ATOM 1642 C LEU A 103 -8.096 6.954 -13.725 1.00 0.00 C ATOM 1643 O LEU A 103 -7.678 6.992 -14.881 1.00 0.00 O ATOM 1644 CB LEU A 103 -10.049 5.582 -12.792 1.00 0.00 C ATOM 1645 CG LEU A 103 -10.497 6.349 -11.546 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -10.545 7.854 -11.817 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.834 5.817 -11.026 1.00 0.00 C ATOM 0 H LEU A 103 -7.535 6.191 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.384 4.854 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.594 5.974 -13.651 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.342 4.539 -12.677 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.759 6.187 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.866 8.376 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.554 8.204 -12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.249 8.056 -12.624 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.130 6.379 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.595 5.929 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.731 4.763 -10.769 1.00 0.00 H new TER 1659 LEU A 103