USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 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 45 MET CE :methyl -119:sc= -7.67! (180deg=-12.4!) USER MOD Set 1.2: A 53 THR OG1 : rot -82:sc= 0.843 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0658) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -127:sc= -4.7! (180deg=-6.98!) USER MOD Single : A 26 SER OG : rot 87:sc= 0.269 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.415 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 79:sc= -2.65! USER MOD Single : A 44 GLN : amide:sc=-0.00968 X(o=-0.0097,f=-0.044) USER MOD Single : A 46 SER OG : rot 130:sc= -1.54! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc=-0.00284 X(o=-0.0028,f=-0.049) USER MOD Single : A 52 THR OG1 : rot 130:sc= -2.53! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -8.61! C(o=-10!,f=-8.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.14) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -8.048 -9.093 -3.364 1.00 0.00 N ATOM 91 CA LEU A 10 -6.978 -8.197 -2.961 1.00 0.00 C ATOM 92 C LEU A 10 -6.518 -7.381 -4.171 1.00 0.00 C ATOM 93 O LEU A 10 -6.687 -6.163 -4.203 1.00 0.00 O ATOM 94 CB LEU A 10 -5.851 -8.980 -2.283 1.00 0.00 C ATOM 95 CG LEU A 10 -4.624 -8.166 -1.869 1.00 0.00 C ATOM 96 CD1 LEU A 10 -4.685 -7.799 -0.385 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.331 -8.903 -2.224 1.00 0.00 C ATOM 0 HA LEU A 10 -7.336 -7.487 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.256 -9.466 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.527 -9.771 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.628 -7.233 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.801 -7.221 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.579 -7.205 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.719 -8.709 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.474 -8.302 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.305 -9.862 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.292 -9.071 -3.300 1.00 0.00 H new ATOM 109 N GLU A 11 -5.947 -8.086 -5.137 1.00 0.00 N ATOM 110 CA GLU A 11 -5.462 -7.442 -6.346 1.00 0.00 C ATOM 111 C GLU A 11 -6.417 -6.326 -6.772 1.00 0.00 C ATOM 112 O GLU A 11 -5.979 -5.251 -7.181 1.00 0.00 O ATOM 113 CB GLU A 11 -5.272 -8.461 -7.471 1.00 0.00 C ATOM 114 CG GLU A 11 -4.739 -7.787 -8.737 1.00 0.00 C ATOM 115 CD GLU A 11 -4.037 -8.800 -9.644 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.580 -9.919 -9.772 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.973 -8.433 -10.188 1.00 0.00 O ATOM 0 H GLU A 11 -5.809 -9.096 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.489 -6.999 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.579 -9.238 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.222 -8.950 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.561 -7.318 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.043 -6.993 -8.465 1.00 0.00 H new ATOM 124 N GLU A 12 -7.705 -6.618 -6.663 1.00 0.00 N ATOM 125 CA GLU A 12 -8.726 -5.652 -7.032 1.00 0.00 C ATOM 126 C GLU A 12 -8.661 -4.433 -6.110 1.00 0.00 C ATOM 127 O GLU A 12 -8.368 -3.325 -6.560 1.00 0.00 O ATOM 128 CB GLU A 12 -10.117 -6.287 -7.003 1.00 0.00 C ATOM 129 CG GLU A 12 -10.402 -7.042 -8.303 1.00 0.00 C ATOM 130 CD GLU A 12 -11.568 -6.405 -9.063 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.312 -5.392 -9.749 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.688 -6.946 -8.940 1.00 0.00 O ATOM 0 H GLU A 12 -8.065 -7.510 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.534 -5.322 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.191 -6.971 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.871 -5.514 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.511 -7.042 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.634 -8.083 -8.080 1.00 0.00 H new ATOM 139 N GLU A 13 -8.938 -4.677 -4.838 1.00 0.00 N ATOM 140 CA GLU A 13 -8.915 -3.612 -3.849 1.00 0.00 C ATOM 141 C GLU A 13 -7.640 -2.779 -3.996 1.00 0.00 C ATOM 142 O GLU A 13 -7.663 -1.564 -3.809 1.00 0.00 O ATOM 143 CB GLU A 13 -9.041 -4.177 -2.433 1.00 0.00 C ATOM 144 CG GLU A 13 -7.665 -4.343 -1.784 1.00 0.00 C ATOM 145 CD GLU A 13 -7.770 -5.114 -0.467 1.00 0.00 C ATOM 146 OE1 GLU A 13 -8.375 -4.554 0.472 1.00 0.00 O ATOM 147 OE2 GLU A 13 -7.242 -6.246 -0.428 1.00 0.00 O ATOM 0 H GLU A 13 -9.180 -5.597 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.772 -2.962 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.656 -3.512 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.550 -5.140 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.998 -4.870 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.224 -3.363 -1.602 1.00 0.00 H new ATOM 154 N LEU A 14 -6.557 -3.467 -4.329 1.00 0.00 N ATOM 155 CA LEU A 14 -5.275 -2.805 -4.503 1.00 0.00 C ATOM 156 C LEU A 14 -5.366 -1.826 -5.675 1.00 0.00 C ATOM 157 O LEU A 14 -4.969 -0.668 -5.554 1.00 0.00 O ATOM 158 CB LEU A 14 -4.155 -3.838 -4.650 1.00 0.00 C ATOM 159 CG LEU A 14 -3.794 -4.619 -3.385 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.795 -5.735 -3.697 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.283 -3.682 -2.288 1.00 0.00 C ATOM 0 H LEU A 14 -6.541 -4.475 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.025 -2.220 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.444 -4.550 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.260 -3.327 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.699 -5.093 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.555 -6.275 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.233 -6.423 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.885 -5.303 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.034 -4.263 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.394 -3.159 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.057 -2.955 -2.041 1.00 0.00 H new ATOM 173 N LEU A 15 -5.890 -2.327 -6.784 1.00 0.00 N ATOM 174 CA LEU A 15 -6.038 -1.511 -7.977 1.00 0.00 C ATOM 175 C LEU A 15 -6.986 -0.347 -7.679 1.00 0.00 C ATOM 176 O LEU A 15 -6.709 0.793 -8.048 1.00 0.00 O ATOM 177 CB LEU A 15 -6.476 -2.372 -9.164 1.00 0.00 C ATOM 178 CG LEU A 15 -5.477 -3.434 -9.627 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.191 -4.736 -9.996 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.612 -2.909 -10.775 1.00 0.00 C ATOM 0 H LEU A 15 -6.217 -3.288 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.080 -1.077 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.409 -2.870 -8.901 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.692 -1.713 -10.005 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.808 -3.659 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.457 -5.474 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.727 -5.116 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.898 -4.547 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.910 -3.683 -11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.250 -2.638 -11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.059 -2.031 -10.442 1.00 0.00 H new ATOM 192 N ARG A 16 -8.084 -0.675 -7.015 1.00 0.00 N ATOM 193 CA ARG A 16 -9.074 0.329 -6.663 1.00 0.00 C ATOM 194 C ARG A 16 -8.421 1.462 -5.868 1.00 0.00 C ATOM 195 O ARG A 16 -8.749 2.631 -6.065 1.00 0.00 O ATOM 196 CB ARG A 16 -10.206 -0.280 -5.834 1.00 0.00 C ATOM 197 CG ARG A 16 -11.341 -0.772 -6.735 1.00 0.00 C ATOM 198 CD ARG A 16 -12.698 -0.608 -6.046 1.00 0.00 C ATOM 199 NE ARG A 16 -13.578 0.257 -6.862 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.545 1.597 -6.839 1.00 0.00 C ATOM 201 NH1 ARG A 16 -12.676 2.233 -6.042 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.382 2.301 -7.614 1.00 0.00 N ATOM 0 H ARG A 16 -8.310 -1.622 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.490 0.724 -7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.822 -1.110 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.589 0.462 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.335 -0.214 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.182 -1.820 -6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.163 -1.583 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.562 -0.172 -5.056 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.252 -0.194 -7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.039 1.698 -5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.651 3.253 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.044 1.817 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.357 3.321 -7.597 1.00 0.00 H new ATOM 216 N ILE A 17 -7.510 1.075 -4.988 1.00 0.00 N ATOM 217 CA ILE A 17 -6.809 2.044 -4.162 1.00 0.00 C ATOM 218 C ILE A 17 -5.897 2.896 -5.047 1.00 0.00 C ATOM 219 O ILE A 17 -6.102 4.102 -5.175 1.00 0.00 O ATOM 220 CB ILE A 17 -6.074 1.341 -3.019 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.050 0.916 -1.919 1.00 0.00 C ATOM 222 CG2 ILE A 17 -4.943 2.216 -2.475 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.694 -0.468 -1.375 1.00 0.00 C ATOM 0 H ILE A 17 -7.241 0.104 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.517 2.722 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.618 0.433 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.030 1.645 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.066 0.905 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.437 1.693 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.230 2.426 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.356 3.153 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.403 -0.746 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.738 -1.199 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.687 -0.447 -0.959 1.00 0.00 H new ATOM 235 N ALA A 18 -4.910 2.236 -5.634 1.00 0.00 N ATOM 236 CA ALA A 18 -3.966 2.918 -6.503 1.00 0.00 C ATOM 237 C ALA A 18 -4.720 3.917 -7.384 1.00 0.00 C ATOM 238 O ALA A 18 -4.473 5.120 -7.315 1.00 0.00 O ATOM 239 CB ALA A 18 -3.191 1.886 -7.325 1.00 0.00 C ATOM 0 H ALA A 18 -4.743 1.236 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.240 3.479 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.483 2.398 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.650 1.219 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.887 1.306 -7.930 1.00 0.00 H new ATOM 245 N LYS A 19 -5.625 3.381 -8.190 1.00 0.00 N ATOM 246 CA LYS A 19 -6.416 4.211 -9.082 1.00 0.00 C ATOM 247 C LYS A 19 -6.925 5.434 -8.317 1.00 0.00 C ATOM 248 O LYS A 19 -6.898 6.550 -8.835 1.00 0.00 O ATOM 249 CB LYS A 19 -7.529 3.387 -9.734 1.00 0.00 C ATOM 250 CG LYS A 19 -7.193 3.069 -11.193 1.00 0.00 C ATOM 251 CD LYS A 19 -7.835 4.087 -12.137 1.00 0.00 C ATOM 252 CE LYS A 19 -8.512 3.389 -13.318 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.738 2.690 -12.874 1.00 0.00 N ATOM 0 H LYS A 19 -5.828 2.383 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.801 4.581 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.672 2.460 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.469 3.936 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.112 3.072 -11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.543 2.067 -11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.569 4.681 -11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.075 4.777 -12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.762 4.121 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.823 2.675 -13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.315 2.441 -13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.477 1.824 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.285 3.313 -12.246 1.00 0.00 H new ATOM 267 N LYS A 20 -7.377 5.184 -7.097 1.00 0.00 N ATOM 268 CA LYS A 20 -7.891 6.251 -6.256 1.00 0.00 C ATOM 269 C LYS A 20 -6.762 7.235 -5.941 1.00 0.00 C ATOM 270 O LYS A 20 -6.911 8.440 -6.138 1.00 0.00 O ATOM 271 CB LYS A 20 -8.569 5.674 -5.012 1.00 0.00 C ATOM 272 CG LYS A 20 -10.092 5.692 -5.159 1.00 0.00 C ATOM 273 CD LYS A 20 -10.775 5.634 -3.791 1.00 0.00 C ATOM 274 CE LYS A 20 -10.670 6.977 -3.067 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.983 7.371 -2.510 1.00 0.00 N ATOM 0 H LYS A 20 -7.398 4.258 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.665 6.811 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.228 4.652 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.278 6.251 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.400 6.596 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.413 4.845 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.824 5.365 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.316 4.853 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.935 6.908 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.317 7.743 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.893 8.285 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.676 7.457 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.305 6.648 -1.835 1.00 0.00 H new ATOM 289 N LEU A 21 -5.659 6.684 -5.455 1.00 0.00 N ATOM 290 CA LEU A 21 -4.506 7.498 -5.110 1.00 0.00 C ATOM 291 C LEU A 21 -4.041 8.267 -6.348 1.00 0.00 C ATOM 292 O LEU A 21 -4.035 9.497 -6.353 1.00 0.00 O ATOM 293 CB LEU A 21 -3.413 6.636 -4.476 1.00 0.00 C ATOM 294 CG LEU A 21 -3.779 5.951 -3.157 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.715 4.927 -2.758 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.025 6.982 -2.054 1.00 0.00 C ATOM 0 H LEU A 21 -5.540 5.684 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.774 8.238 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.122 5.868 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.537 7.262 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.712 5.406 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.999 4.455 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.632 4.167 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.755 5.428 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.283 6.469 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.123 7.574 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.845 7.639 -2.346 1.00 0.00 H new ATOM 308 N GLU A 22 -3.664 7.511 -7.369 1.00 0.00 N ATOM 309 CA GLU A 22 -3.199 8.106 -8.610 1.00 0.00 C ATOM 310 C GLU A 22 -4.105 9.272 -9.011 1.00 0.00 C ATOM 311 O GLU A 22 -3.622 10.317 -9.445 1.00 0.00 O ATOM 312 CB GLU A 22 -3.124 7.061 -9.725 1.00 0.00 C ATOM 313 CG GLU A 22 -2.122 5.959 -9.376 1.00 0.00 C ATOM 314 CD GLU A 22 -0.687 6.417 -9.643 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.226 7.305 -8.894 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.083 5.868 -10.590 1.00 0.00 O ATOM 0 H GLU A 22 -3.671 6.491 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.192 8.492 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.110 6.624 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.832 7.541 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.230 5.683 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.338 5.067 -9.964 1.00 0.00 H new ATOM 323 N LYS A 23 -5.402 9.054 -8.852 1.00 0.00 N ATOM 324 CA LYS A 23 -6.380 10.074 -9.192 1.00 0.00 C ATOM 325 C LYS A 23 -6.202 11.275 -8.262 1.00 0.00 C ATOM 326 O LYS A 23 -5.947 12.388 -8.721 1.00 0.00 O ATOM 327 CB LYS A 23 -7.793 9.487 -9.176 1.00 0.00 C ATOM 328 CG LYS A 23 -8.839 10.570 -9.450 1.00 0.00 C ATOM 329 CD LYS A 23 -8.909 10.898 -10.943 1.00 0.00 C ATOM 330 CE LYS A 23 -9.673 9.815 -11.707 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.132 10.042 -11.610 1.00 0.00 N ATOM 0 H LYS A 23 -5.799 8.186 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.220 10.432 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.873 8.701 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.988 9.025 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.816 10.234 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.592 11.470 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.398 11.862 -11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.901 10.990 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.368 9.816 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.424 8.833 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.635 9.298 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.421 10.018 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.367 10.970 -12.016 1.00 0.00 H new ATOM 345 N MET A 24 -6.344 11.011 -6.972 1.00 0.00 N ATOM 346 CA MET A 24 -6.202 12.057 -5.973 1.00 0.00 C ATOM 347 C MET A 24 -4.958 12.906 -6.242 1.00 0.00 C ATOM 348 O MET A 24 -5.055 14.122 -6.400 1.00 0.00 O ATOM 349 CB MET A 24 -6.098 11.425 -4.584 1.00 0.00 C ATOM 350 CG MET A 24 -7.358 10.626 -4.249 1.00 0.00 C ATOM 351 SD MET A 24 -7.973 11.098 -2.641 1.00 0.00 S ATOM 352 CE MET A 24 -7.581 9.624 -1.714 1.00 0.00 C ATOM 0 H MET A 24 -6.556 10.087 -6.595 1.00 0.00 H new ATOM 0 HA MET A 24 -7.078 12.703 -6.023 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.227 10.771 -4.543 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.948 12.204 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.122 10.803 -5.006 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.136 9.559 -4.263 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.476 9.266 -1.205 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.217 8.853 -2.393 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.811 9.852 -0.977 1.00 0.00 H new ATOM 362 N VAL A 25 -3.818 12.232 -6.286 1.00 0.00 N ATOM 363 CA VAL A 25 -2.557 12.911 -6.534 1.00 0.00 C ATOM 364 C VAL A 25 -2.692 13.792 -7.777 1.00 0.00 C ATOM 365 O VAL A 25 -2.548 15.011 -7.697 1.00 0.00 O ATOM 366 CB VAL A 25 -1.426 11.887 -6.647 1.00 0.00 C ATOM 367 CG1 VAL A 25 -0.072 12.581 -6.810 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.417 10.944 -5.442 1.00 0.00 C ATOM 0 H VAL A 25 -3.741 11.223 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.304 13.565 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.605 11.288 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.715 11.830 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.082 13.191 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.118 13.217 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.603 10.226 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.275 11.522 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.366 10.411 -5.390 1.00 0.00 H new ATOM 378 N SER A 26 -2.967 13.141 -8.898 1.00 0.00 N ATOM 379 CA SER A 26 -3.123 13.851 -10.156 1.00 0.00 C ATOM 380 C SER A 26 -3.999 15.088 -9.954 1.00 0.00 C ATOM 381 O SER A 26 -3.602 16.198 -10.306 1.00 0.00 O ATOM 382 CB SER A 26 -3.727 12.943 -11.229 1.00 0.00 C ATOM 383 OG SER A 26 -2.779 12.006 -11.732 1.00 0.00 O ATOM 0 H SER A 26 -3.086 12.130 -8.961 1.00 0.00 H new ATOM 0 HA SER A 26 -2.136 14.164 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.580 12.407 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.104 13.553 -12.050 1.00 0.00 H new ATOM 0 HG SER A 26 -2.782 11.204 -11.169 1.00 0.00 H new ATOM 389 N ARG A 27 -5.174 14.856 -9.388 1.00 0.00 N ATOM 390 CA ARG A 27 -6.110 15.939 -9.134 1.00 0.00 C ATOM 391 C ARG A 27 -5.522 16.922 -8.119 1.00 0.00 C ATOM 392 O ARG A 27 -5.898 18.092 -8.094 1.00 0.00 O ATOM 393 CB ARG A 27 -7.441 15.404 -8.604 1.00 0.00 C ATOM 394 CG ARG A 27 -8.197 14.638 -9.692 1.00 0.00 C ATOM 395 CD ARG A 27 -9.537 14.118 -9.167 1.00 0.00 C ATOM 396 NE ARG A 27 -10.498 15.236 -9.039 1.00 0.00 N ATOM 397 CZ ARG A 27 -11.741 15.106 -8.557 1.00 0.00 C ATOM 398 NH1 ARG A 27 -12.181 13.906 -8.153 1.00 0.00 N ATOM 399 NH2 ARG A 27 -12.545 16.175 -8.477 1.00 0.00 N ATOM 0 H ARG A 27 -5.500 13.934 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.289 16.451 -10.079 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.260 14.749 -7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.053 16.232 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.366 15.290 -10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.591 13.803 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.934 13.362 -9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.396 13.636 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.195 16.163 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.569 13.092 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.127 13.807 -7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.211 17.089 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.491 16.075 -8.110 1.00 0.00 H new ATOM 413 N LYS A 28 -4.610 16.409 -7.307 1.00 0.00 N ATOM 414 CA LYS A 28 -3.967 17.226 -6.293 1.00 0.00 C ATOM 415 C LYS A 28 -4.999 17.626 -5.236 1.00 0.00 C ATOM 416 O LYS A 28 -5.315 18.805 -5.087 1.00 0.00 O ATOM 417 CB LYS A 28 -3.253 18.417 -6.937 1.00 0.00 C ATOM 418 CG LYS A 28 -1.813 18.530 -6.434 1.00 0.00 C ATOM 419 CD LYS A 28 -1.482 19.970 -6.038 1.00 0.00 C ATOM 420 CE LYS A 28 -0.990 20.772 -7.245 1.00 0.00 C ATOM 421 NZ LYS A 28 -1.451 22.176 -7.156 1.00 0.00 N ATOM 0 H LYS A 28 -4.301 15.437 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.191 16.657 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.256 18.304 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.794 19.336 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.671 17.872 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.125 18.195 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.366 20.447 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.718 19.971 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.099 20.742 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.359 20.319 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.109 22.707 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.491 22.199 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.078 22.610 -6.287 1.00 0.00 H new ATOM 435 N LYS A 29 -5.496 16.621 -4.531 1.00 0.00 N ATOM 436 CA LYS A 29 -6.486 16.853 -3.493 1.00 0.00 C ATOM 437 C LYS A 29 -6.159 15.981 -2.279 1.00 0.00 C ATOM 438 O LYS A 29 -5.969 16.492 -1.176 1.00 0.00 O ATOM 439 CB LYS A 29 -7.898 16.638 -4.041 1.00 0.00 C ATOM 440 CG LYS A 29 -8.854 17.719 -3.533 1.00 0.00 C ATOM 441 CD LYS A 29 -9.558 17.270 -2.250 1.00 0.00 C ATOM 442 CE LYS A 29 -10.179 18.462 -1.520 1.00 0.00 C ATOM 443 NZ LYS A 29 -9.212 19.046 -0.564 1.00 0.00 N ATOM 0 H LYS A 29 -5.232 15.644 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.453 17.890 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.875 16.651 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.262 15.655 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.301 18.640 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.596 17.943 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.333 16.543 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.844 16.770 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.487 19.218 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.076 18.144 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.650 19.854 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.938 18.327 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.367 19.368 -1.078 1.00 0.00 H new ATOM 457 N THR A 30 -6.104 14.680 -2.522 1.00 0.00 N ATOM 458 CA THR A 30 -5.804 13.732 -1.462 1.00 0.00 C ATOM 459 C THR A 30 -6.564 14.100 -0.187 1.00 0.00 C ATOM 460 O THR A 30 -6.009 14.729 0.712 1.00 0.00 O ATOM 461 CB THR A 30 -4.286 13.697 -1.276 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.923 15.066 -1.119 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.550 13.259 -2.544 1.00 0.00 C ATOM 0 H THR A 30 -6.262 14.260 -3.438 1.00 0.00 H new ATOM 0 HA THR A 30 -6.138 12.728 -1.723 1.00 0.00 H new ATOM 0 HB THR A 30 -4.037 13.019 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.575 15.513 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.476 13.251 -2.357 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.876 12.258 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.773 13.955 -3.353 1.00 0.00 H new ATOM 471 N GLU A 31 -7.824 13.691 -0.148 1.00 0.00 N ATOM 472 CA GLU A 31 -8.667 13.969 1.002 1.00 0.00 C ATOM 473 C GLU A 31 -9.069 12.665 1.693 1.00 0.00 C ATOM 474 O GLU A 31 -10.094 12.608 2.371 1.00 0.00 O ATOM 475 CB GLU A 31 -9.900 14.778 0.596 1.00 0.00 C ATOM 476 CG GLU A 31 -10.525 14.219 -0.684 1.00 0.00 C ATOM 477 CD GLU A 31 -12.052 14.289 -0.625 1.00 0.00 C ATOM 478 OE1 GLU A 31 -12.593 13.964 0.454 1.00 0.00 O ATOM 479 OE2 GLU A 31 -12.644 14.665 -1.660 1.00 0.00 O ATOM 0 H GLU A 31 -8.281 13.169 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.096 14.571 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.634 14.759 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.621 15.821 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.165 14.782 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.210 13.185 -0.825 1.00 0.00 H new ATOM 486 N GLY A 32 -8.242 11.649 1.498 1.00 0.00 N ATOM 487 CA GLY A 32 -8.499 10.349 2.094 1.00 0.00 C ATOM 488 C GLY A 32 -7.421 9.339 1.693 1.00 0.00 C ATOM 489 O GLY A 32 -7.722 8.175 1.434 1.00 0.00 O ATOM 0 H GLY A 32 -7.393 11.700 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.529 10.442 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.477 9.987 1.778 1.00 0.00 H new ATOM 493 N ALA A 33 -6.188 9.822 1.655 1.00 0.00 N ATOM 494 CA ALA A 33 -5.064 8.976 1.290 1.00 0.00 C ATOM 495 C ALA A 33 -4.790 7.984 2.422 1.00 0.00 C ATOM 496 O ALA A 33 -4.569 6.799 2.174 1.00 0.00 O ATOM 497 CB ALA A 33 -3.849 9.850 0.973 1.00 0.00 C ATOM 0 H ALA A 33 -5.942 10.788 1.871 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.292 8.399 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.006 9.216 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.086 10.516 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.588 10.442 1.850 1.00 0.00 H new ATOM 503 N LEU A 34 -4.813 8.503 3.640 1.00 0.00 N ATOM 504 CA LEU A 34 -4.569 7.678 4.811 1.00 0.00 C ATOM 505 C LEU A 34 -5.393 6.393 4.704 1.00 0.00 C ATOM 506 O LEU A 34 -4.836 5.302 4.594 1.00 0.00 O ATOM 507 CB LEU A 34 -4.833 8.473 6.091 1.00 0.00 C ATOM 508 CG LEU A 34 -4.293 7.859 7.385 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.952 7.164 7.143 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.202 8.910 8.494 1.00 0.00 C ATOM 0 H LEU A 34 -4.997 9.486 3.842 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.521 7.383 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.399 9.466 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.910 8.606 6.197 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.995 7.096 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.590 6.736 8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.081 6.371 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.228 7.889 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.816 8.448 9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.533 9.712 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.193 9.320 8.689 1.00 0.00 H new ATOM 522 N ASP A 35 -6.706 6.565 4.740 1.00 0.00 N ATOM 523 CA ASP A 35 -7.612 5.433 4.649 1.00 0.00 C ATOM 524 C ASP A 35 -7.085 4.446 3.606 1.00 0.00 C ATOM 525 O ASP A 35 -6.958 3.254 3.883 1.00 0.00 O ATOM 526 CB ASP A 35 -9.009 5.880 4.213 1.00 0.00 C ATOM 527 CG ASP A 35 -10.160 5.299 5.037 1.00 0.00 C ATOM 528 OD1 ASP A 35 -10.055 4.106 5.398 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.119 6.060 5.289 1.00 0.00 O ATOM 0 H ASP A 35 -7.164 7.472 4.831 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.672 4.969 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.058 6.968 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.153 5.603 3.169 1.00 0.00 H new ATOM 534 N LEU A 36 -6.791 4.979 2.429 1.00 0.00 N ATOM 535 CA LEU A 36 -6.280 4.159 1.343 1.00 0.00 C ATOM 536 C LEU A 36 -4.996 3.463 1.797 1.00 0.00 C ATOM 537 O LEU A 36 -4.865 2.247 1.665 1.00 0.00 O ATOM 538 CB LEU A 36 -6.110 4.997 0.074 1.00 0.00 C ATOM 539 CG LEU A 36 -7.402 5.478 -0.590 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.132 6.662 -1.520 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.106 4.329 -1.316 1.00 0.00 C ATOM 0 H LEU A 36 -6.897 5.968 2.203 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.994 3.376 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.503 5.869 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.548 4.410 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.077 5.828 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.066 6.984 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.706 7.485 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.430 6.361 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.021 4.698 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.447 3.926 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.352 3.543 -0.601 1.00 0.00 H new ATOM 553 N LEU A 37 -4.080 4.263 2.322 1.00 0.00 N ATOM 554 CA LEU A 37 -2.811 3.739 2.796 1.00 0.00 C ATOM 555 C LEU A 37 -3.071 2.653 3.843 1.00 0.00 C ATOM 556 O LEU A 37 -2.458 1.588 3.803 1.00 0.00 O ATOM 557 CB LEU A 37 -1.916 4.874 3.297 1.00 0.00 C ATOM 558 CG LEU A 37 -1.487 5.902 2.249 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.295 7.282 2.882 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.236 5.435 1.502 1.00 0.00 C ATOM 0 H LEU A 37 -4.192 5.271 2.430 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.264 3.270 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.440 5.397 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.019 4.436 3.736 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.286 5.993 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.990 7.995 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.233 7.610 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.525 7.225 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.047 6.184 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.581 5.297 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.444 4.490 1.000 1.00 0.00 H new ATOM 572 N LYS A 38 -3.982 2.961 4.754 1.00 0.00 N ATOM 573 CA LYS A 38 -4.331 2.025 5.809 1.00 0.00 C ATOM 574 C LYS A 38 -4.625 0.655 5.194 1.00 0.00 C ATOM 575 O LYS A 38 -3.942 -0.323 5.494 1.00 0.00 O ATOM 576 CB LYS A 38 -5.479 2.577 6.657 1.00 0.00 C ATOM 577 CG LYS A 38 -4.980 3.656 7.620 1.00 0.00 C ATOM 578 CD LYS A 38 -5.954 3.844 8.785 1.00 0.00 C ATOM 579 CE LYS A 38 -5.899 5.277 9.320 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.528 5.355 10.657 1.00 0.00 N ATOM 0 H LYS A 38 -4.489 3.846 4.783 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.493 1.894 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.249 2.993 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.941 1.767 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.998 3.380 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.860 4.598 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.968 3.613 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.710 3.144 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.863 5.610 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.411 5.949 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.482 6.334 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.522 5.057 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.022 4.729 11.316 1.00 0.00 H new ATOM 594 N LYS A 39 -5.641 0.630 4.344 1.00 0.00 N ATOM 595 CA LYS A 39 -6.033 -0.604 3.684 1.00 0.00 C ATOM 596 C LYS A 39 -4.786 -1.309 3.147 1.00 0.00 C ATOM 597 O LYS A 39 -4.590 -2.499 3.386 1.00 0.00 O ATOM 598 CB LYS A 39 -7.091 -0.326 2.614 1.00 0.00 C ATOM 599 CG LYS A 39 -8.502 -0.454 3.191 1.00 0.00 C ATOM 600 CD LYS A 39 -8.969 -1.911 3.178 1.00 0.00 C ATOM 601 CE LYS A 39 -10.494 -1.998 3.100 1.00 0.00 C ATOM 602 NZ LYS A 39 -11.081 -2.051 4.458 1.00 0.00 N ATOM 0 H LYS A 39 -6.204 1.444 4.097 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.502 -1.284 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.949 0.676 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.968 -1.024 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.517 -0.072 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.193 0.158 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.528 -2.430 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.618 -2.417 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.886 -1.135 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.785 -2.885 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.117 -2.110 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.721 -2.888 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.819 -1.193 4.983 1.00 0.00 H new ATOM 616 N LEU A 40 -3.974 -0.544 2.432 1.00 0.00 N ATOM 617 CA LEU A 40 -2.751 -1.080 1.859 1.00 0.00 C ATOM 618 C LEU A 40 -1.923 -1.740 2.963 1.00 0.00 C ATOM 619 O LEU A 40 -1.454 -2.866 2.803 1.00 0.00 O ATOM 620 CB LEU A 40 -1.997 0.008 1.092 1.00 0.00 C ATOM 621 CG LEU A 40 -2.715 0.588 -0.128 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.855 1.650 -0.817 1.00 0.00 C ATOM 623 CD2 LEU A 40 -3.139 -0.520 -1.094 1.00 0.00 C ATOM 0 H LEU A 40 -4.139 0.443 2.236 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.980 -1.853 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.776 0.824 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.041 -0.401 0.766 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.624 1.082 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.389 2.046 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.646 2.459 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.917 1.202 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.647 -0.080 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.257 -1.064 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.815 -1.207 -0.585 1.00 0.00 H new ATOM 635 N ASN A 41 -1.769 -1.012 4.059 1.00 0.00 N ATOM 636 CA ASN A 41 -1.006 -1.512 5.190 1.00 0.00 C ATOM 637 C ASN A 41 -1.635 -2.815 5.688 1.00 0.00 C ATOM 638 O ASN A 41 -0.954 -3.650 6.281 1.00 0.00 O ATOM 639 CB ASN A 41 -1.013 -0.511 6.346 1.00 0.00 C ATOM 640 CG ASN A 41 -0.326 -1.095 7.582 1.00 0.00 C ATOM 641 OD1 ASN A 41 -0.768 -2.070 8.168 1.00 0.00 O ATOM 642 ND2 ASN A 41 0.778 -0.448 7.944 1.00 0.00 N ATOM 0 H ASN A 41 -2.160 -0.079 4.188 1.00 0.00 H new ATOM 0 HA ASN A 41 0.020 -1.673 4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.505 0.404 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.040 -0.240 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.310 -0.761 8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.093 0.362 7.409 1.00 0.00 H new ATOM 649 N SER A 42 -2.928 -2.947 5.428 1.00 0.00 N ATOM 650 CA SER A 42 -3.656 -4.134 5.843 1.00 0.00 C ATOM 651 C SER A 42 -4.028 -4.974 4.619 1.00 0.00 C ATOM 652 O SER A 42 -5.124 -5.529 4.553 1.00 0.00 O ATOM 653 CB SER A 42 -4.913 -3.761 6.632 1.00 0.00 C ATOM 654 OG SER A 42 -4.917 -4.339 7.935 1.00 0.00 O ATOM 0 H SER A 42 -3.489 -2.252 4.936 1.00 0.00 H new ATOM 0 HA SER A 42 -3.010 -4.721 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.979 -2.676 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.796 -4.093 6.086 1.00 0.00 H new ATOM 0 HG SER A 42 -5.735 -4.076 8.407 1.00 0.00 H new ATOM 660 N CYS A 43 -3.095 -5.040 3.681 1.00 0.00 N ATOM 661 CA CYS A 43 -3.311 -5.803 2.464 1.00 0.00 C ATOM 662 C CYS A 43 -2.070 -6.661 2.208 1.00 0.00 C ATOM 663 O CYS A 43 -0.950 -6.153 2.203 1.00 0.00 O ATOM 664 CB CYS A 43 -3.631 -4.894 1.276 1.00 0.00 C ATOM 665 SG CYS A 43 -5.413 -4.479 1.267 1.00 0.00 S ATOM 0 H CYS A 43 -2.188 -4.578 3.739 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.180 -6.450 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.037 -3.982 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.360 -5.391 0.344 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.644 -3.537 2.133 1.00 0.00 H new ATOM 671 N GLN A 44 -2.311 -7.947 2.002 1.00 0.00 N ATOM 672 CA GLN A 44 -1.227 -8.881 1.746 1.00 0.00 C ATOM 673 C GLN A 44 -0.630 -8.633 0.359 1.00 0.00 C ATOM 674 O GLN A 44 -0.758 -9.469 -0.534 1.00 0.00 O ATOM 675 CB GLN A 44 -1.705 -10.327 1.888 1.00 0.00 C ATOM 676 CG GLN A 44 -2.950 -10.579 1.036 1.00 0.00 C ATOM 677 CD GLN A 44 -2.903 -11.967 0.392 1.00 0.00 C ATOM 678 OE1 GLN A 44 -1.958 -12.333 -0.287 1.00 0.00 O ATOM 679 NE2 GLN A 44 -3.973 -12.716 0.644 1.00 0.00 N ATOM 0 H GLN A 44 -3.241 -8.365 2.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.447 -8.717 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.909 -11.008 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.927 -10.539 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.843 -10.492 1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.025 -9.817 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.729 -12.347 1.221 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.037 -13.659 0.260 1.00 0.00 H new ATOM 688 N MET A 45 0.010 -7.481 0.223 1.00 0.00 N ATOM 689 CA MET A 45 0.627 -7.113 -1.040 1.00 0.00 C ATOM 690 C MET A 45 1.752 -8.085 -1.404 1.00 0.00 C ATOM 691 O MET A 45 2.410 -8.635 -0.524 1.00 0.00 O ATOM 692 CB MET A 45 1.190 -5.694 -0.939 1.00 0.00 C ATOM 693 CG MET A 45 1.989 -5.331 -2.193 1.00 0.00 C ATOM 694 SD MET A 45 1.812 -3.590 -2.546 1.00 0.00 S ATOM 695 CE MET A 45 0.036 -3.482 -2.690 1.00 0.00 C ATOM 0 H MET A 45 0.115 -6.790 0.966 1.00 0.00 H new ATOM 0 HA MET A 45 -0.132 -7.157 -1.821 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.374 -4.984 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.830 -5.614 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.041 -5.576 -2.048 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.639 -5.920 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.228 -3.144 -3.692 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.404 -4.463 -2.510 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.346 -2.773 -1.956 1.00 0.00 H new ATOM 705 N SER A 46 1.937 -8.265 -2.704 1.00 0.00 N ATOM 706 CA SER A 46 2.970 -9.161 -3.195 1.00 0.00 C ATOM 707 C SER A 46 3.837 -8.441 -4.230 1.00 0.00 C ATOM 708 O SER A 46 3.556 -7.301 -4.596 1.00 0.00 O ATOM 709 CB SER A 46 2.360 -10.426 -3.801 1.00 0.00 C ATOM 710 OG SER A 46 0.960 -10.289 -4.027 1.00 0.00 O ATOM 0 H SER A 46 1.389 -7.806 -3.432 1.00 0.00 H new ATOM 0 HA SER A 46 3.593 -9.460 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.859 -10.653 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.539 -11.270 -3.134 1.00 0.00 H new ATOM 0 HG SER A 46 0.749 -10.560 -4.945 1.00 0.00 H new ATOM 716 N ILE A 47 4.874 -9.137 -4.674 1.00 0.00 N ATOM 717 CA ILE A 47 5.783 -8.579 -5.660 1.00 0.00 C ATOM 718 C ILE A 47 5.062 -8.463 -7.004 1.00 0.00 C ATOM 719 O ILE A 47 5.009 -7.384 -7.593 1.00 0.00 O ATOM 720 CB ILE A 47 7.074 -9.398 -5.723 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.701 -9.541 -4.334 1.00 0.00 C ATOM 722 CG2 ILE A 47 8.053 -8.802 -6.736 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.737 -10.667 -4.314 1.00 0.00 C ATOM 0 H ILE A 47 5.104 -10.083 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 47 6.086 -7.572 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 47 6.825 -10.401 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.173 -8.602 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.923 -9.745 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.962 -9.403 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.595 -8.796 -7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.301 -7.781 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.167 -10.748 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.256 -11.609 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.526 -10.448 -5.033 1.00 0.00 H new ATOM 735 N GLN A 48 4.525 -9.589 -7.451 1.00 0.00 N ATOM 736 CA GLN A 48 3.810 -9.627 -8.715 1.00 0.00 C ATOM 737 C GLN A 48 2.749 -8.525 -8.758 1.00 0.00 C ATOM 738 O GLN A 48 2.622 -7.820 -9.758 1.00 0.00 O ATOM 739 CB GLN A 48 3.182 -11.003 -8.948 1.00 0.00 C ATOM 740 CG GLN A 48 3.663 -11.609 -10.268 1.00 0.00 C ATOM 741 CD GLN A 48 4.948 -12.414 -10.065 1.00 0.00 C ATOM 742 OE1 GLN A 48 6.050 -11.936 -10.276 1.00 0.00 O ATOM 743 NE2 GLN A 48 4.745 -13.659 -9.645 1.00 0.00 N ATOM 0 H GLN A 48 4.571 -10.482 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 48 4.523 -9.449 -9.520 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.439 -11.668 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.096 -10.914 -8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.887 -12.254 -10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.838 -10.815 -10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.795 -13.996 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.539 -14.277 -9.480 1.00 0.00 H new ATOM 752 N LEU A 49 2.015 -8.412 -7.661 1.00 0.00 N ATOM 753 CA LEU A 49 0.969 -7.408 -7.562 1.00 0.00 C ATOM 754 C LEU A 49 1.607 -6.019 -7.494 1.00 0.00 C ATOM 755 O LEU A 49 1.031 -5.044 -7.974 1.00 0.00 O ATOM 756 CB LEU A 49 0.041 -7.716 -6.385 1.00 0.00 C ATOM 757 CG LEU A 49 -0.929 -8.883 -6.584 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.677 -9.202 -5.288 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.886 -8.609 -7.745 1.00 0.00 C ATOM 0 H LEU A 49 2.124 -8.998 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 49 0.337 -7.427 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.655 -7.925 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.539 -6.821 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.349 -9.768 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.359 -10.035 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.961 -9.472 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.244 -8.327 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.564 -9.454 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.462 -7.708 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.314 -8.470 -8.663 1.00 0.00 H new ATOM 771 N LEU A 50 2.787 -5.973 -6.894 1.00 0.00 N ATOM 772 CA LEU A 50 3.509 -4.720 -6.757 1.00 0.00 C ATOM 773 C LEU A 50 3.727 -4.108 -8.142 1.00 0.00 C ATOM 774 O LEU A 50 3.922 -2.900 -8.268 1.00 0.00 O ATOM 775 CB LEU A 50 4.802 -4.930 -5.967 1.00 0.00 C ATOM 776 CG LEU A 50 4.827 -4.346 -4.553 1.00 0.00 C ATOM 777 CD1 LEU A 50 6.123 -4.716 -3.830 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.597 -2.834 -4.580 1.00 0.00 C ATOM 0 H LEU A 50 3.261 -6.784 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 50 2.923 -4.004 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.993 -6.001 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.625 -4.494 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 50 4.006 -4.786 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.115 -4.289 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.204 -5.801 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.974 -4.323 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.620 -2.444 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.381 -2.357 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.626 -2.622 -5.028 1.00 0.00 H new ATOM 790 N GLN A 51 3.687 -4.970 -9.148 1.00 0.00 N ATOM 791 CA GLN A 51 3.877 -4.530 -10.519 1.00 0.00 C ATOM 792 C GLN A 51 2.526 -4.257 -11.182 1.00 0.00 C ATOM 793 O GLN A 51 2.379 -3.287 -11.924 1.00 0.00 O ATOM 794 CB GLN A 51 4.682 -5.557 -11.318 1.00 0.00 C ATOM 795 CG GLN A 51 6.166 -5.499 -10.948 1.00 0.00 C ATOM 796 CD GLN A 51 7.028 -6.137 -12.039 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.041 -5.713 -13.183 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.745 -7.177 -11.623 1.00 0.00 N ATOM 0 H GLN A 51 3.526 -5.971 -9.040 1.00 0.00 H new ATOM 0 HA GLN A 51 4.447 -3.601 -10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.294 -6.557 -11.126 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.562 -5.368 -12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.468 -4.462 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.329 -6.015 -10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.687 -7.480 -10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.353 -7.672 -12.276 1.00 0.00 H new ATOM 807 N THR A 52 1.572 -5.130 -10.890 1.00 0.00 N ATOM 808 CA THR A 52 0.238 -4.995 -11.448 1.00 0.00 C ATOM 809 C THR A 52 -0.468 -3.775 -10.854 1.00 0.00 C ATOM 810 O THR A 52 -1.027 -2.959 -11.585 1.00 0.00 O ATOM 811 CB THR A 52 -0.510 -6.307 -11.207 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.829 -6.275 -9.819 1.00 0.00 O ATOM 813 CG2 THR A 52 0.394 -7.533 -11.354 1.00 0.00 C ATOM 0 H THR A 52 1.697 -5.933 -10.274 1.00 0.00 H new ATOM 0 HA THR A 52 0.275 -4.818 -12.523 1.00 0.00 H new ATOM 0 HB THR A 52 -1.342 -6.384 -11.907 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.781 -6.473 -9.698 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.187 -8.437 -11.173 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.806 -7.562 -12.363 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.208 -7.474 -10.631 1.00 0.00 H new ATOM 821 N THR A 53 -0.420 -3.689 -9.533 1.00 0.00 N ATOM 822 CA THR A 53 -1.048 -2.582 -8.831 1.00 0.00 C ATOM 823 C THR A 53 -0.142 -1.350 -8.859 1.00 0.00 C ATOM 824 O THR A 53 -0.606 -0.228 -8.661 1.00 0.00 O ATOM 825 CB THR A 53 -1.392 -3.053 -7.417 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.123 -3.292 -6.813 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.075 -4.422 -7.405 1.00 0.00 C ATOM 0 H THR A 53 0.044 -4.368 -8.930 1.00 0.00 H new ATOM 0 HA THR A 53 -1.973 -2.277 -9.320 1.00 0.00 H new ATOM 0 HB THR A 53 -2.041 -2.320 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.204 -4.177 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.297 -4.709 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.002 -4.371 -7.976 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.413 -5.163 -7.853 1.00 0.00 H new ATOM 835 N ARG A 54 1.136 -1.601 -9.105 1.00 0.00 N ATOM 836 CA ARG A 54 2.112 -0.526 -9.161 1.00 0.00 C ATOM 837 C ARG A 54 1.798 0.532 -8.101 1.00 0.00 C ATOM 838 O ARG A 54 2.065 1.716 -8.302 1.00 0.00 O ATOM 839 CB ARG A 54 2.127 0.134 -10.541 1.00 0.00 C ATOM 840 CG ARG A 54 0.821 0.888 -10.803 1.00 0.00 C ATOM 841 CD ARG A 54 -0.212 -0.021 -11.473 1.00 0.00 C ATOM 842 NE ARG A 54 -1.572 0.331 -11.009 1.00 0.00 N ATOM 843 CZ ARG A 54 -2.281 1.368 -11.477 1.00 0.00 C ATOM 844 NH1 ARG A 54 -1.762 2.161 -12.424 1.00 0.00 N ATOM 845 NH2 ARG A 54 -3.508 1.611 -10.997 1.00 0.00 N ATOM 0 H ARG A 54 1.518 -2.533 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 54 3.093 -0.959 -8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.969 0.823 -10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.273 -0.625 -11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.421 1.268 -9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.017 1.752 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.151 0.082 -12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.003 -1.064 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.997 -0.252 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.828 1.976 -12.789 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.301 2.950 -12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.902 1.007 -10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.048 2.400 -11.353 1.00 0.00 H new ATOM 859 N ILE A 55 1.235 0.067 -6.995 1.00 0.00 N ATOM 860 CA ILE A 55 0.882 0.958 -5.903 1.00 0.00 C ATOM 861 C ILE A 55 2.159 1.516 -5.273 1.00 0.00 C ATOM 862 O ILE A 55 2.105 2.455 -4.480 1.00 0.00 O ATOM 863 CB ILE A 55 -0.036 0.247 -4.907 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.609 1.235 -3.888 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.687 -0.919 -4.231 1.00 0.00 C ATOM 866 CD1 ILE A 55 -1.827 1.965 -4.457 1.00 0.00 C ATOM 0 H ILE A 55 1.015 -0.915 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 55 0.312 1.809 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.878 -0.172 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.891 0.703 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.156 1.960 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.012 -1.407 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.005 -1.637 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.560 -0.545 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.215 2.661 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.536 2.515 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.599 1.240 -4.712 1.00 0.00 H new ATOM 878 N GLY A 56 3.278 0.915 -5.648 1.00 0.00 N ATOM 879 CA GLY A 56 4.567 1.340 -5.129 1.00 0.00 C ATOM 880 C GLY A 56 4.868 2.787 -5.528 1.00 0.00 C ATOM 881 O GLY A 56 5.578 3.495 -4.816 1.00 0.00 O ATOM 0 H GLY A 56 3.319 0.136 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.574 1.249 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.350 0.684 -5.508 1.00 0.00 H new ATOM 885 N VAL A 57 4.313 3.182 -6.664 1.00 0.00 N ATOM 886 CA VAL A 57 4.514 4.530 -7.166 1.00 0.00 C ATOM 887 C VAL A 57 3.365 5.423 -6.690 1.00 0.00 C ATOM 888 O VAL A 57 3.528 6.635 -6.563 1.00 0.00 O ATOM 889 CB VAL A 57 4.661 4.506 -8.688 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.594 3.616 -9.328 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.613 5.922 -9.267 1.00 0.00 C ATOM 0 H VAL A 57 3.724 2.592 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 57 5.439 4.951 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 57 5.637 4.081 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.721 3.617 -10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.695 2.598 -8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.604 3.998 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.720 5.876 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.659 6.386 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.426 6.514 -8.847 1.00 0.00 H new ATOM 901 N ALA A 58 2.229 4.788 -6.441 1.00 0.00 N ATOM 902 CA ALA A 58 1.054 5.509 -5.983 1.00 0.00 C ATOM 903 C ALA A 58 1.334 6.107 -4.603 1.00 0.00 C ATOM 904 O ALA A 58 1.117 7.298 -4.383 1.00 0.00 O ATOM 905 CB ALA A 58 -0.152 4.567 -5.977 1.00 0.00 C ATOM 0 H ALA A 58 2.098 3.782 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 58 0.821 6.333 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.034 5.107 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.326 4.192 -6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.044 3.729 -5.308 1.00 0.00 H new ATOM 911 N VAL A 59 1.811 5.253 -3.709 1.00 0.00 N ATOM 912 CA VAL A 59 2.123 5.683 -2.357 1.00 0.00 C ATOM 913 C VAL A 59 3.128 6.836 -2.411 1.00 0.00 C ATOM 914 O VAL A 59 2.836 7.940 -1.954 1.00 0.00 O ATOM 915 CB VAL A 59 2.621 4.494 -1.532 1.00 0.00 C ATOM 916 CG1 VAL A 59 3.126 4.951 -0.161 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.530 3.431 -1.389 1.00 0.00 C ATOM 0 H VAL A 59 1.989 4.266 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 59 1.228 6.056 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 59 3.459 4.044 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.474 4.087 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.948 5.654 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.316 5.438 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.910 2.597 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.663 3.864 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.239 3.073 -2.377 1.00 0.00 H new ATOM 927 N ASN A 60 4.290 6.539 -2.974 1.00 0.00 N ATOM 928 CA ASN A 60 5.339 7.537 -3.094 1.00 0.00 C ATOM 929 C ASN A 60 4.719 8.879 -3.489 1.00 0.00 C ATOM 930 O ASN A 60 4.927 9.886 -2.814 1.00 0.00 O ATOM 931 CB ASN A 60 6.350 7.147 -4.175 1.00 0.00 C ATOM 932 CG ASN A 60 7.421 8.227 -4.339 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.327 9.109 -5.177 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.442 8.109 -3.495 1.00 0.00 N ATOM 0 H ASN A 60 4.528 5.622 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 60 5.848 7.608 -2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.821 6.200 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.834 6.995 -5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.209 8.781 -3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.458 7.347 -2.818 1.00 0.00 H new ATOM 941 N GLY A 61 3.969 8.849 -4.581 1.00 0.00 N ATOM 942 CA GLY A 61 3.316 10.050 -5.074 1.00 0.00 C ATOM 943 C GLY A 61 2.693 10.846 -3.925 1.00 0.00 C ATOM 944 O GLY A 61 2.812 12.070 -3.878 1.00 0.00 O ATOM 0 H GLY A 61 3.799 8.012 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.040 10.671 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.544 9.779 -5.794 1.00 0.00 H new ATOM 948 N VAL A 62 2.043 10.120 -3.028 1.00 0.00 N ATOM 949 CA VAL A 62 1.401 10.743 -1.883 1.00 0.00 C ATOM 950 C VAL A 62 2.471 11.180 -0.880 1.00 0.00 C ATOM 951 O VAL A 62 2.389 12.270 -0.316 1.00 0.00 O ATOM 952 CB VAL A 62 0.368 9.790 -1.279 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.573 10.532 -0.328 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.417 9.067 -2.375 1.00 0.00 C ATOM 0 H VAL A 62 1.947 9.105 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 62 0.858 11.637 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 62 0.904 9.038 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.297 9.831 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.005 10.978 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.098 11.316 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.145 8.396 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.936 9.799 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.270 8.491 -2.995 1.00 0.00 H new ATOM 964 N ARG A 63 3.449 10.307 -0.688 1.00 0.00 N ATOM 965 CA ARG A 63 4.533 10.589 0.237 1.00 0.00 C ATOM 966 C ARG A 63 5.272 11.860 -0.183 1.00 0.00 C ATOM 967 O ARG A 63 6.067 12.403 0.583 1.00 0.00 O ATOM 968 CB ARG A 63 5.525 9.425 0.294 1.00 0.00 C ATOM 969 CG ARG A 63 6.734 9.778 1.163 1.00 0.00 C ATOM 970 CD ARG A 63 7.652 8.567 1.342 1.00 0.00 C ATOM 971 NE ARG A 63 8.907 8.978 2.009 1.00 0.00 N ATOM 972 CZ ARG A 63 10.015 8.225 2.056 1.00 0.00 C ATOM 973 NH1 ARG A 63 10.029 7.018 1.474 1.00 0.00 N ATOM 974 NH2 ARG A 63 11.108 8.679 2.683 1.00 0.00 N ATOM 0 H ARG A 63 3.513 9.404 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 63 4.097 10.729 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.030 8.540 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.857 9.176 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.290 10.596 0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.396 10.130 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.149 7.803 1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.875 8.122 0.372 1.00 0.00 H new ATOM 0 HE ARG A 63 8.931 9.892 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.197 6.673 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.872 6.445 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.098 9.598 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.951 8.106 2.718 1.00 0.00 H new ATOM 988 N LYS A 64 4.985 12.299 -1.400 1.00 0.00 N ATOM 989 CA LYS A 64 5.613 13.497 -1.932 1.00 0.00 C ATOM 990 C LYS A 64 4.592 14.637 -1.951 1.00 0.00 C ATOM 991 O LYS A 64 4.883 15.742 -1.497 1.00 0.00 O ATOM 992 CB LYS A 64 6.242 13.211 -3.297 1.00 0.00 C ATOM 993 CG LYS A 64 6.307 14.481 -4.147 1.00 0.00 C ATOM 994 CD LYS A 64 6.772 14.165 -5.570 1.00 0.00 C ATOM 995 CE LYS A 64 7.934 15.072 -5.981 1.00 0.00 C ATOM 996 NZ LYS A 64 7.902 15.327 -7.439 1.00 0.00 N ATOM 0 H LYS A 64 4.326 11.846 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 64 6.434 13.815 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.246 12.808 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.660 12.450 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.325 14.953 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.990 15.196 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.081 13.122 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.942 14.294 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.875 16.016 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.881 14.606 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.697 15.944 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.980 14.425 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.006 15.791 -7.691 1.00 0.00 H new ATOM 1010 N HIS A 65 3.418 14.328 -2.482 1.00 0.00 N ATOM 1011 CA HIS A 65 2.353 15.313 -2.566 1.00 0.00 C ATOM 1012 C HIS A 65 1.774 15.563 -1.172 1.00 0.00 C ATOM 1013 O HIS A 65 1.568 16.710 -0.778 1.00 0.00 O ATOM 1014 CB HIS A 65 1.292 14.881 -3.580 1.00 0.00 C ATOM 1015 CG HIS A 65 1.824 14.686 -4.980 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.008 14.170 -5.420 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 1.109 15.042 -6.110 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.014 14.208 -6.747 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 1.838 14.749 -7.177 1.00 0.00 N flip ATOM 0 H HIS A 65 3.181 13.410 -2.858 1.00 0.00 H new ATOM 0 HA HIS A 65 2.755 16.259 -2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.839 13.949 -3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.501 15.630 -3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.124 15.484 -6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.818 13.867 -7.382 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.567 14.901 -8.149 1.00 0.00 H new ATOM 1061 N LYS A 69 2.189 14.097 7.680 1.00 0.00 N ATOM 1062 CA LYS A 69 2.962 13.345 8.653 1.00 0.00 C ATOM 1063 C LYS A 69 2.382 11.935 8.781 1.00 0.00 C ATOM 1064 O LYS A 69 3.088 10.949 8.580 1.00 0.00 O ATOM 1065 CB LYS A 69 3.034 14.103 9.981 1.00 0.00 C ATOM 1066 CG LYS A 69 4.487 14.366 10.384 1.00 0.00 C ATOM 1067 CD LYS A 69 4.580 14.799 11.848 1.00 0.00 C ATOM 1068 CE LYS A 69 4.787 13.591 12.764 1.00 0.00 C ATOM 1069 NZ LYS A 69 5.477 13.997 14.009 1.00 0.00 N ATOM 0 HA LYS A 69 3.993 13.236 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.500 15.049 9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.535 13.527 10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.080 13.465 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.911 15.140 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.406 15.500 11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.669 15.325 12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.824 13.141 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.374 12.831 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.610 13.165 14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.404 14.406 13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.903 14.705 14.509 1.00 0.00 H new ATOM 1083 N GLU A 70 1.100 11.886 9.114 1.00 0.00 N ATOM 1084 CA GLU A 70 0.417 10.613 9.270 1.00 0.00 C ATOM 1085 C GLU A 70 0.271 9.918 7.915 1.00 0.00 C ATOM 1086 O GLU A 70 0.664 8.763 7.760 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.946 10.801 9.939 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.940 10.244 11.364 1.00 0.00 C ATOM 1089 CD GLU A 70 -1.114 8.724 11.359 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -0.098 8.036 11.122 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -2.261 8.283 11.592 1.00 0.00 O ATOM 0 H GLU A 70 0.517 12.706 9.280 1.00 0.00 H new ATOM 0 HA GLU A 70 1.020 9.977 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.201 11.860 9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.715 10.299 9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.003 10.505 11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.742 10.704 11.941 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.294 10.652 6.968 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.497 10.121 5.630 1.00 0.00 C ATOM 1100 C VAL A 71 0.860 9.772 5.014 1.00 0.00 C ATOM 1101 O VAL A 71 0.957 8.859 4.196 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.297 11.116 4.788 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.062 10.884 3.294 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.788 11.045 5.125 1.00 0.00 C ATOM 0 H VAL A 71 -0.618 11.610 7.100 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.083 9.203 5.668 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.945 12.119 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.643 11.605 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.003 11.008 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.373 9.873 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.334 11.762 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.159 10.040 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.935 11.282 6.179 1.00 0.00 H new ATOM 1114 N VAL A 72 1.873 10.518 5.431 1.00 0.00 N ATOM 1115 CA VAL A 72 3.219 10.299 4.930 1.00 0.00 C ATOM 1116 C VAL A 72 3.866 9.149 5.706 1.00 0.00 C ATOM 1117 O VAL A 72 4.615 8.357 5.138 1.00 0.00 O ATOM 1118 CB VAL A 72 4.023 11.598 5.006 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.507 11.311 5.245 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.824 12.440 3.744 1.00 0.00 C ATOM 0 H VAL A 72 1.788 11.274 6.110 1.00 0.00 H new ATOM 0 HA VAL A 72 3.194 10.009 3.880 1.00 0.00 H new ATOM 0 HB VAL A 72 3.652 12.173 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.056 12.251 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.626 10.771 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.897 10.706 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.406 13.358 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.155 11.874 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.768 12.688 3.635 1.00 0.00 H new ATOM 1130 N SER A 73 3.553 9.096 6.992 1.00 0.00 N ATOM 1131 CA SER A 73 4.094 8.057 7.851 1.00 0.00 C ATOM 1132 C SER A 73 3.809 6.679 7.250 1.00 0.00 C ATOM 1133 O SER A 73 4.733 5.925 6.949 1.00 0.00 O ATOM 1134 CB SER A 73 3.513 8.151 9.263 1.00 0.00 C ATOM 1135 OG SER A 73 4.498 8.523 10.223 1.00 0.00 O ATOM 0 H SER A 73 2.932 9.756 7.460 1.00 0.00 H new ATOM 0 HA SER A 73 5.172 8.199 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.703 8.880 9.274 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.080 7.190 9.541 1.00 0.00 H new ATOM 0 HG SER A 73 4.087 8.574 11.111 1.00 0.00 H new ATOM 1141 N LEU A 74 2.525 6.392 7.094 1.00 0.00 N ATOM 1142 CA LEU A 74 2.106 5.118 6.534 1.00 0.00 C ATOM 1143 C LEU A 74 2.762 4.927 5.165 1.00 0.00 C ATOM 1144 O LEU A 74 3.504 3.968 4.957 1.00 0.00 O ATOM 1145 CB LEU A 74 0.579 5.023 6.503 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.029 3.784 7.163 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.418 3.664 8.622 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.553 3.783 7.029 1.00 0.00 C ATOM 0 H LEU A 74 1.761 7.019 7.345 1.00 0.00 H new ATOM 0 HA LEU A 74 2.441 4.295 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.170 5.908 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.254 5.053 5.463 1.00 0.00 H new ATOM 0 HG LEU A 74 0.341 2.903 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.029 2.775 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.504 3.585 8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.097 4.547 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.960 2.892 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.961 4.671 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.825 3.786 5.974 1.00 0.00 H new ATOM 1160 N ALA A 75 2.464 5.855 4.267 1.00 0.00 N ATOM 1161 CA ALA A 75 3.015 5.800 2.924 1.00 0.00 C ATOM 1162 C ALA A 75 4.481 5.367 2.996 1.00 0.00 C ATOM 1163 O ALA A 75 4.936 4.565 2.183 1.00 0.00 O ATOM 1164 CB ALA A 75 2.842 7.160 2.245 1.00 0.00 C ATOM 0 H ALA A 75 1.848 6.649 4.443 1.00 0.00 H new ATOM 0 HA ALA A 75 2.483 5.064 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.255 7.119 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.782 7.408 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.365 7.923 2.821 1.00 0.00 H new ATOM 1170 N LYS A 76 5.180 5.918 3.978 1.00 0.00 N ATOM 1171 CA LYS A 76 6.585 5.599 4.167 1.00 0.00 C ATOM 1172 C LYS A 76 6.721 4.125 4.551 1.00 0.00 C ATOM 1173 O LYS A 76 7.451 3.376 3.903 1.00 0.00 O ATOM 1174 CB LYS A 76 7.221 6.559 5.175 1.00 0.00 C ATOM 1175 CG LYS A 76 7.612 7.877 4.505 1.00 0.00 C ATOM 1176 CD LYS A 76 7.913 8.955 5.549 1.00 0.00 C ATOM 1177 CE LYS A 76 8.833 10.033 4.975 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.564 10.723 6.061 1.00 0.00 N ATOM 0 H LYS A 76 4.799 6.583 4.651 1.00 0.00 H new ATOM 0 HA LYS A 76 7.136 5.739 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.522 6.754 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.103 6.096 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.487 7.723 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.804 8.212 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.981 9.409 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.381 8.500 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.542 9.582 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.246 10.755 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.184 11.452 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.883 11.170 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.139 10.033 6.585 1.00 0.00 H new ATOM 1192 N VAL A 77 6.007 3.751 5.603 1.00 0.00 N ATOM 1193 CA VAL A 77 6.040 2.380 6.081 1.00 0.00 C ATOM 1194 C VAL A 77 5.739 1.432 4.918 1.00 0.00 C ATOM 1195 O VAL A 77 6.429 0.431 4.734 1.00 0.00 O ATOM 1196 CB VAL A 77 5.073 2.211 7.255 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.950 0.740 7.657 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.501 3.072 8.445 1.00 0.00 C ATOM 0 H VAL A 77 5.402 4.374 6.138 1.00 0.00 H new ATOM 0 HA VAL A 77 7.032 2.130 6.456 1.00 0.00 H new ATOM 0 HB VAL A 77 4.090 2.552 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.257 0.648 8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.577 0.162 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.928 0.361 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.797 2.934 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.499 2.775 8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.512 4.121 8.150 1.00 0.00 H new ATOM 1208 N LEU A 78 4.707 1.781 4.163 1.00 0.00 N ATOM 1209 CA LEU A 78 4.307 0.974 3.023 1.00 0.00 C ATOM 1210 C LEU A 78 5.498 0.807 2.078 1.00 0.00 C ATOM 1211 O LEU A 78 5.685 -0.258 1.491 1.00 0.00 O ATOM 1212 CB LEU A 78 3.068 1.572 2.352 1.00 0.00 C ATOM 1213 CG LEU A 78 1.757 1.448 3.131 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.725 2.461 2.632 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.224 0.014 3.082 1.00 0.00 C ATOM 0 H LEU A 78 4.136 2.612 4.319 1.00 0.00 H new ATOM 0 HA LEU A 78 4.015 -0.025 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.256 2.629 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.938 1.093 1.382 1.00 0.00 H new ATOM 0 HG LEU A 78 1.957 1.681 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.197 2.352 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.114 3.471 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.522 2.283 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.292 -0.047 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.043 -0.272 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.957 -0.662 3.522 1.00 0.00 H new ATOM 1227 N ILE A 79 6.273 1.875 1.960 1.00 0.00 N ATOM 1228 CA ILE A 79 7.441 1.860 1.096 1.00 0.00 C ATOM 1229 C ILE A 79 8.503 0.937 1.698 1.00 0.00 C ATOM 1230 O ILE A 79 9.080 0.108 0.995 1.00 0.00 O ATOM 1231 CB ILE A 79 7.938 3.285 0.842 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.355 3.845 -0.457 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.467 3.343 0.856 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.872 4.180 -0.293 1.00 0.00 C ATOM 0 H ILE A 79 6.115 2.756 2.448 1.00 0.00 H new ATOM 0 HA ILE A 79 7.185 1.457 0.116 1.00 0.00 H new ATOM 0 HB ILE A 79 7.584 3.920 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.903 4.740 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.481 3.118 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.794 4.367 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.835 3.013 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.863 2.691 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.483 4.576 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.323 3.278 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.752 4.925 0.493 1.00 0.00 H new ATOM 1246 N LYS A 80 8.729 1.112 2.991 1.00 0.00 N ATOM 1247 CA LYS A 80 9.712 0.305 3.695 1.00 0.00 C ATOM 1248 C LYS A 80 9.363 -1.176 3.527 1.00 0.00 C ATOM 1249 O LYS A 80 10.089 -1.917 2.866 1.00 0.00 O ATOM 1250 CB LYS A 80 9.823 0.749 5.155 1.00 0.00 C ATOM 1251 CG LYS A 80 11.280 1.018 5.536 1.00 0.00 C ATOM 1252 CD LYS A 80 11.374 1.676 6.914 1.00 0.00 C ATOM 1253 CE LYS A 80 12.233 2.941 6.861 1.00 0.00 C ATOM 1254 NZ LYS A 80 11.486 4.047 6.220 1.00 0.00 N ATOM 0 H LYS A 80 8.249 1.801 3.570 1.00 0.00 H new ATOM 0 HA LYS A 80 10.703 0.451 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.230 1.650 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.409 -0.021 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.838 0.082 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.742 1.663 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.375 1.926 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.801 0.972 7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.528 3.230 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.149 2.743 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.083 4.898 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.226 3.774 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.624 4.246 6.767 1.00 0.00 H new ATOM 1268 N ASN A 81 8.253 -1.562 4.138 1.00 0.00 N ATOM 1269 CA ASN A 81 7.799 -2.941 4.065 1.00 0.00 C ATOM 1270 C ASN A 81 7.906 -3.432 2.620 1.00 0.00 C ATOM 1271 O ASN A 81 8.600 -4.408 2.341 1.00 0.00 O ATOM 1272 CB ASN A 81 6.338 -3.064 4.500 1.00 0.00 C ATOM 1273 CG ASN A 81 6.234 -3.362 5.997 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.824 -4.297 6.512 1.00 0.00 O ATOM 1275 ND2 ASN A 81 5.453 -2.516 6.664 1.00 0.00 N ATOM 0 H ASN A 81 7.654 -0.944 4.686 1.00 0.00 H new ATOM 0 HA ASN A 81 8.424 -3.538 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.808 -2.139 4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.852 -3.858 3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.319 -2.630 7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.988 -1.754 6.171 1.00 0.00 H new ATOM 1282 N TRP A 82 7.206 -2.733 1.738 1.00 0.00 N ATOM 1283 CA TRP A 82 7.213 -3.086 0.328 1.00 0.00 C ATOM 1284 C TRP A 82 8.667 -3.297 -0.099 1.00 0.00 C ATOM 1285 O TRP A 82 8.957 -4.168 -0.917 1.00 0.00 O ATOM 1286 CB TRP A 82 6.493 -2.025 -0.506 1.00 0.00 C ATOM 1287 CG TRP A 82 4.968 -2.074 -0.393 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.215 -3.005 0.208 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.035 -1.107 -0.922 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.870 -2.711 0.105 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.758 -1.521 -0.603 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.264 0.077 -1.645 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.609 -0.808 -0.967 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.105 0.777 -2.001 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.812 0.374 -1.689 1.00 0.00 C ATOM 0 H TRP A 82 6.630 -1.924 1.972 1.00 0.00 H new ATOM 0 HA TRP A 82 6.663 -4.012 0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.838 -1.039 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.774 -2.148 -1.552 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.610 -3.876 0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.100 -3.265 0.480 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.255 0.419 -1.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.619 -1.152 -0.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.224 1.695 -2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.968 0.970 -2.002 1.00 0.00 H new ATOM 1306 N LYS A 83 9.543 -2.484 0.474 1.00 0.00 N ATOM 1307 CA LYS A 83 10.959 -2.571 0.162 1.00 0.00 C ATOM 1308 C LYS A 83 11.449 -3.995 0.428 1.00 0.00 C ATOM 1309 O LYS A 83 11.838 -4.705 -0.498 1.00 0.00 O ATOM 1310 CB LYS A 83 11.742 -1.499 0.923 1.00 0.00 C ATOM 1311 CG LYS A 83 12.803 -0.855 0.028 1.00 0.00 C ATOM 1312 CD LYS A 83 13.770 -0.001 0.851 1.00 0.00 C ATOM 1313 CE LYS A 83 15.019 0.349 0.040 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.119 -0.592 0.351 1.00 0.00 N ATOM 0 H LYS A 83 9.299 -1.762 1.152 1.00 0.00 H new ATOM 0 HA LYS A 83 11.129 -2.367 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.057 -0.734 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.219 -1.944 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.357 -1.630 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.319 -0.237 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.271 0.914 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.058 -0.539 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.791 0.312 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.331 1.369 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.959 -0.341 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.347 -0.536 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.824 -1.561 0.115 1.00 0.00 H new ATOM 1328 N ARG A 84 11.414 -4.371 1.698 1.00 0.00 N ATOM 1329 CA ARG A 84 11.850 -5.699 2.098 1.00 0.00 C ATOM 1330 C ARG A 84 10.947 -6.764 1.474 1.00 0.00 C ATOM 1331 O ARG A 84 11.254 -7.954 1.531 1.00 0.00 O ATOM 1332 CB ARG A 84 11.829 -5.850 3.620 1.00 0.00 C ATOM 1333 CG ARG A 84 12.993 -5.093 4.263 1.00 0.00 C ATOM 1334 CD ARG A 84 12.483 -4.017 5.224 1.00 0.00 C ATOM 1335 NE ARG A 84 12.872 -4.353 6.612 1.00 0.00 N ATOM 1336 CZ ARG A 84 12.204 -5.213 7.392 1.00 0.00 C ATOM 1337 NH1 ARG A 84 11.110 -5.830 6.926 1.00 0.00 N ATOM 1338 NH2 ARG A 84 12.630 -5.457 8.639 1.00 0.00 N ATOM 0 H ARG A 84 11.091 -3.780 2.464 1.00 0.00 H new ATOM 0 HA ARG A 84 12.873 -5.833 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.885 -5.474 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.887 -6.906 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.633 -5.792 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.605 -4.632 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.894 -3.046 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.398 -3.937 5.151 1.00 0.00 H new ATOM 0 HE ARG A 84 13.701 -3.901 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.785 -5.645 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.602 -6.485 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.463 -4.988 8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.121 -6.112 9.233 1.00 0.00 H new