USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 30 THR OG1 : rot -7:sc= -1.25 USER MOD Set 1.2: A 33 ASN : amide:sc= 1.68 K(o=0.43,f=-7.5!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -109:sc= -0.44 (180deg=-2.22!) USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -35:sc= 0.0832 USER MOD Single : A 9 MET CE :methyl -157:sc= -0.0855 (180deg=-1.71) USER MOD Single : A 10 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.3!) USER MOD Single : A 15 THR OG1 : rot -77:sc= 0.695 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.303 (180deg=-1.19) USER MOD Single : A 22 THR OG1 : rot -85:sc= 0.528 USER MOD Single : A 28 SER OG : rot -36:sc= 0.211 USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.793) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00606 X(o=-0.0061,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -5.17! C(o=-5.2!,f=-6!) USER MOD Single : A 49 GLN : amide:sc= -2.68 K(o=-2.7,f=-5.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00012 X(o=-0.00012,f=-0.12) USER MOD Single : A 63 THR OG1 : rot 62:sc= 0.932 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -163:sc= 0.287 USER MOD Single : A 68 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 70 GLN : amide:sc= -1 K(o=-1,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 119:sc= -2.95! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.295 10.046 -16.819 1.00 0.00 N ATOM 100 CA SER A 8 -5.198 10.764 -15.927 1.00 0.00 C ATOM 101 C SER A 8 -6.267 11.509 -16.721 1.00 0.00 C ATOM 102 O SER A 8 -5.968 12.180 -17.708 1.00 0.00 O ATOM 103 CB SER A 8 -4.414 11.748 -15.057 1.00 0.00 C ATOM 104 OG SER A 8 -3.677 12.659 -15.855 1.00 0.00 O ATOM 0 HA SER A 8 -5.690 10.034 -15.284 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.101 12.297 -14.413 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.735 11.200 -14.404 1.00 0.00 H new ATOM 0 HG SER A 8 -3.357 12.203 -16.662 1.00 0.00 H new ATOM 110 N MET A 9 -7.515 11.386 -16.281 1.00 0.00 N ATOM 111 CA MET A 9 -8.630 12.048 -16.948 1.00 0.00 C ATOM 112 C MET A 9 -9.597 12.644 -15.930 1.00 0.00 C ATOM 113 O MET A 9 -9.949 11.998 -14.944 1.00 0.00 O ATOM 114 CB MET A 9 -9.368 11.062 -17.855 1.00 0.00 C ATOM 115 CG MET A 9 -10.690 11.595 -18.384 1.00 0.00 C ATOM 116 SD MET A 9 -11.292 10.668 -19.808 1.00 0.00 S ATOM 117 CE MET A 9 -10.124 11.180 -21.065 1.00 0.00 C ATOM 0 H MET A 9 -7.780 10.834 -15.465 1.00 0.00 H new ATOM 0 HA MET A 9 -8.227 12.858 -17.556 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.726 10.806 -18.698 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.552 10.141 -17.302 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.436 11.559 -17.590 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.570 12.642 -18.661 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.568 11.043 -22.051 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.874 12.231 -20.922 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.219 10.578 -20.988 1.00 0.00 H new ATOM 127 N GLN A 10 -10.023 13.879 -16.177 1.00 0.00 N ATOM 128 CA GLN A 10 -10.948 14.561 -15.280 1.00 0.00 C ATOM 129 C GLN A 10 -12.387 14.401 -15.760 1.00 0.00 C ATOM 130 O GLN A 10 -12.653 14.386 -16.962 1.00 0.00 O ATOM 131 CB GLN A 10 -10.593 16.045 -15.179 1.00 0.00 C ATOM 132 CG GLN A 10 -10.710 16.790 -16.499 1.00 0.00 C ATOM 133 CD GLN A 10 -9.361 17.165 -17.079 1.00 0.00 C ATOM 134 OE1 GLN A 10 -8.338 16.571 -16.737 1.00 0.00 O ATOM 135 NE2 GLN A 10 -9.350 18.156 -17.962 1.00 0.00 N ATOM 0 H GLN A 10 -9.742 14.427 -16.990 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.860 14.107 -14.293 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.247 16.517 -14.446 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.573 16.142 -14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.249 16.170 -17.215 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.301 17.694 -16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.221 18.621 -18.217 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.471 18.452 -18.385 1.00 0.00 H new ATOM 144 N ILE A 11 -13.312 14.283 -14.813 1.00 0.00 N ATOM 145 CA ILE A 11 -14.724 14.126 -15.139 1.00 0.00 C ATOM 146 C ILE A 11 -15.579 15.134 -14.379 1.00 0.00 C ATOM 147 O ILE A 11 -15.121 15.755 -13.420 1.00 0.00 O ATOM 148 CB ILE A 11 -15.220 12.704 -14.820 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.088 12.418 -13.323 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.444 11.677 -15.631 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.622 11.062 -12.917 1.00 0.00 C ATOM 0 H ILE A 11 -13.109 14.293 -13.814 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.823 14.304 -16.210 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.273 12.633 -15.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.038 12.485 -13.040 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.619 13.190 -12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.807 10.677 -15.394 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.585 11.871 -16.694 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.384 11.746 -15.387 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.496 10.928 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.681 10.998 -13.169 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.075 10.282 -13.447 1.00 0.00 H new ATOM 163 N PHE A 12 -16.825 15.290 -14.813 1.00 0.00 N ATOM 164 CA PHE A 12 -17.746 16.222 -14.173 1.00 0.00 C ATOM 165 C PHE A 12 -18.876 15.474 -13.471 1.00 0.00 C ATOM 166 O PHE A 12 -19.538 14.624 -14.068 1.00 0.00 O ATOM 167 CB PHE A 12 -18.325 17.191 -15.207 1.00 0.00 C ATOM 168 CG PHE A 12 -17.300 18.110 -15.807 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.407 18.795 -14.998 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.230 18.290 -17.179 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.463 19.642 -15.548 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.288 19.135 -17.734 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.403 19.811 -16.918 1.00 0.00 C ATOM 0 H PHE A 12 -17.220 14.783 -15.605 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.190 16.788 -13.426 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.799 16.618 -16.004 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.106 17.788 -14.736 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.449 18.666 -13.927 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.920 17.764 -17.822 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.773 20.171 -14.907 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.244 19.266 -18.805 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.665 20.471 -17.350 1.00 0.00 H new ATOM 183 N VAL A 13 -19.091 15.797 -12.200 1.00 0.00 N ATOM 184 CA VAL A 13 -20.141 15.157 -11.416 1.00 0.00 C ATOM 185 C VAL A 13 -21.042 16.194 -10.754 1.00 0.00 C ATOM 186 O VAL A 13 -20.568 17.207 -10.239 1.00 0.00 O ATOM 187 CB VAL A 13 -19.550 14.239 -10.330 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.657 13.507 -9.588 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.566 13.254 -10.943 1.00 0.00 C ATOM 0 H VAL A 13 -18.552 16.498 -11.691 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.731 14.556 -12.108 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.011 14.856 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.220 12.863 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.319 14.232 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.227 12.900 -10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.158 12.613 -10.161 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.079 12.641 -11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.755 13.801 -11.424 1.00 0.00 H new ATOM 199 N LYS A 14 -22.345 15.935 -10.771 1.00 0.00 N ATOM 200 CA LYS A 14 -23.314 16.843 -10.171 1.00 0.00 C ATOM 201 C LYS A 14 -23.719 16.366 -8.780 1.00 0.00 C ATOM 202 O LYS A 14 -23.952 15.176 -8.563 1.00 0.00 O ATOM 203 CB LYS A 14 -24.553 16.961 -11.062 1.00 0.00 C ATOM 204 CG LYS A 14 -24.445 18.054 -12.112 1.00 0.00 C ATOM 205 CD LYS A 14 -23.551 17.632 -13.266 1.00 0.00 C ATOM 206 CE LYS A 14 -23.606 18.633 -14.409 1.00 0.00 C ATOM 207 NZ LYS A 14 -23.357 20.024 -13.941 1.00 0.00 N ATOM 0 H LYS A 14 -22.754 15.102 -11.195 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.846 17.823 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.725 16.006 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.424 17.155 -10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.438 18.296 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.048 18.961 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.524 17.535 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.859 16.650 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.865 18.365 -15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -24.583 18.581 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.241 20.569 -13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.013 20.004 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.642 20.472 -14.549 1.00 0.00 H new ATOM 221 N THR A 15 -23.803 17.302 -7.839 1.00 0.00 N ATOM 222 CA THR A 15 -24.181 16.977 -6.470 1.00 0.00 C ATOM 223 C THR A 15 -25.667 17.223 -6.236 1.00 0.00 C ATOM 224 O THR A 15 -26.329 17.890 -7.032 1.00 0.00 O ATOM 225 CB THR A 15 -23.369 17.802 -5.453 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.604 19.200 -5.657 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.882 17.508 -5.581 1.00 0.00 C ATOM 0 H THR A 15 -23.614 18.291 -8.001 1.00 0.00 H new ATOM 0 HA THR A 15 -23.964 15.919 -6.325 1.00 0.00 H new ATOM 0 HB THR A 15 -23.693 17.522 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.101 19.505 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.330 18.102 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.703 16.449 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.546 17.762 -6.586 1.00 0.00 H new ATOM 235 N LEU A 16 -26.186 16.680 -5.140 1.00 0.00 N ATOM 236 CA LEU A 16 -27.596 16.842 -4.800 1.00 0.00 C ATOM 237 C LEU A 16 -27.916 18.299 -4.481 1.00 0.00 C ATOM 238 O LEU A 16 -29.022 18.774 -4.737 1.00 0.00 O ATOM 239 CB LEU A 16 -27.958 15.955 -3.608 1.00 0.00 C ATOM 240 CG LEU A 16 -27.385 16.381 -2.256 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.335 17.337 -1.551 1.00 0.00 C ATOM 242 CD2 LEU A 16 -27.108 15.164 -1.386 1.00 0.00 C ATOM 0 H LEU A 16 -25.652 16.124 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.190 16.540 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -29.044 15.919 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.620 14.940 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.442 16.900 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.911 17.629 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.483 18.224 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -29.294 16.844 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.701 15.487 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.036 14.617 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.389 14.515 -1.886 1.00 0.00 H new ATOM 254 N THR A 17 -26.938 19.005 -3.921 1.00 0.00 N ATOM 255 CA THR A 17 -27.115 20.408 -3.568 1.00 0.00 C ATOM 256 C THR A 17 -27.225 21.279 -4.814 1.00 0.00 C ATOM 257 O THR A 17 -27.799 22.367 -4.774 1.00 0.00 O ATOM 258 CB THR A 17 -25.950 20.919 -2.700 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.134 22.308 -2.401 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.619 20.720 -3.409 1.00 0.00 C ATOM 0 H THR A 17 -26.016 18.628 -3.702 1.00 0.00 H new ATOM 0 HA THR A 17 -28.041 20.476 -2.998 1.00 0.00 H new ATOM 0 HB THR A 17 -25.939 20.346 -1.773 1.00 0.00 H new ATOM 0 HG1 THR A 17 -25.390 22.625 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.811 21.088 -2.777 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.468 19.659 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.622 21.270 -4.350 1.00 0.00 H new ATOM 268 N GLY A 18 -26.673 20.793 -5.922 1.00 0.00 N ATOM 269 CA GLY A 18 -26.722 21.540 -7.165 1.00 0.00 C ATOM 270 C GLY A 18 -25.372 22.114 -7.549 1.00 0.00 C ATOM 271 O GLY A 18 -25.291 23.051 -8.344 1.00 0.00 O ATOM 0 H GLY A 18 -26.193 19.895 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.077 20.888 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.445 22.351 -7.070 1.00 0.00 H new ATOM 275 N LYS A 19 -24.309 21.551 -6.984 1.00 0.00 N ATOM 276 CA LYS A 19 -22.956 22.012 -7.271 1.00 0.00 C ATOM 277 C LYS A 19 -22.217 21.012 -8.155 1.00 0.00 C ATOM 278 O LYS A 19 -22.368 19.800 -8.000 1.00 0.00 O ATOM 279 CB LYS A 19 -22.181 22.227 -5.969 1.00 0.00 C ATOM 280 CG LYS A 19 -20.700 22.492 -6.179 1.00 0.00 C ATOM 281 CD LYS A 19 -19.881 21.221 -6.034 1.00 0.00 C ATOM 282 CE LYS A 19 -19.536 20.942 -4.580 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.189 20.323 -4.438 1.00 0.00 N ATOM 0 H LYS A 19 -24.359 20.774 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.028 22.960 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.619 23.067 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.298 21.347 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.542 22.917 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.356 23.232 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.439 20.379 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.964 21.310 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.569 21.873 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.287 20.280 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.825 20.499 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.259 19.298 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.540 20.739 -5.136 1.00 0.00 H new ATOM 297 N THR A 20 -21.416 21.528 -9.083 1.00 0.00 N ATOM 298 CA THR A 20 -20.654 20.680 -9.991 1.00 0.00 C ATOM 299 C THR A 20 -19.199 20.570 -9.548 1.00 0.00 C ATOM 300 O THR A 20 -18.480 21.567 -9.493 1.00 0.00 O ATOM 301 CB THR A 20 -20.700 21.219 -11.433 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.983 21.796 -11.700 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.421 20.108 -12.434 1.00 0.00 C ATOM 0 H THR A 20 -21.279 22.529 -9.225 1.00 0.00 H new ATOM 0 HA THR A 20 -21.115 19.693 -9.965 1.00 0.00 H new ATOM 0 HB THR A 20 -19.930 21.983 -11.537 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.003 22.138 -12.618 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.459 20.512 -13.446 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.432 19.690 -12.247 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.172 19.325 -12.328 1.00 0.00 H new ATOM 311 N ILE A 21 -18.772 19.351 -9.235 1.00 0.00 N ATOM 312 CA ILE A 21 -17.402 19.111 -8.799 1.00 0.00 C ATOM 313 C ILE A 21 -16.664 18.205 -9.779 1.00 0.00 C ATOM 314 O ILE A 21 -17.192 17.180 -10.213 1.00 0.00 O ATOM 315 CB ILE A 21 -17.361 18.473 -7.397 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.922 18.119 -7.017 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.247 17.237 -7.351 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.549 16.687 -7.330 1.00 0.00 C ATOM 0 H ILE A 21 -19.355 18.515 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.908 20.082 -8.762 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.741 19.195 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.241 18.787 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.782 18.298 -5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.207 16.798 -6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.274 17.517 -7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.895 16.509 -8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.515 16.507 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.206 16.012 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.656 16.509 -8.400 1.00 0.00 H new ATOM 330 N THR A 22 -15.439 18.588 -10.124 1.00 0.00 N ATOM 331 CA THR A 22 -14.628 17.811 -11.052 1.00 0.00 C ATOM 332 C THR A 22 -13.760 16.800 -10.310 1.00 0.00 C ATOM 333 O THR A 22 -13.097 17.138 -9.329 1.00 0.00 O ATOM 334 CB THR A 22 -13.722 18.720 -11.904 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.467 19.846 -12.380 1.00 0.00 O ATOM 336 CG2 THR A 22 -13.142 17.954 -13.083 1.00 0.00 C ATOM 0 H THR A 22 -14.987 19.433 -9.774 1.00 0.00 H new ATOM 0 HA THR A 22 -15.319 17.281 -11.708 1.00 0.00 H new ATOM 0 HB THR A 22 -12.900 19.067 -11.277 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.932 19.604 -13.208 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.506 18.617 -13.670 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.551 17.115 -12.716 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.953 17.581 -13.709 1.00 0.00 H new ATOM 344 N LEU A 23 -13.769 15.560 -10.785 1.00 0.00 N ATOM 345 CA LEU A 23 -12.982 14.498 -10.166 1.00 0.00 C ATOM 346 C LEU A 23 -11.961 13.934 -11.149 1.00 0.00 C ATOM 347 O LEU A 23 -12.252 13.769 -12.333 1.00 0.00 O ATOM 348 CB LEU A 23 -13.899 13.380 -9.668 1.00 0.00 C ATOM 349 CG LEU A 23 -13.432 12.638 -8.415 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.444 13.565 -7.209 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.306 11.418 -8.161 1.00 0.00 C ATOM 0 H LEU A 23 -14.312 15.264 -11.596 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.446 14.924 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.883 13.806 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.023 12.654 -10.471 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.408 12.300 -8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.109 13.019 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.776 14.407 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.456 13.934 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.959 10.902 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.340 11.734 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.246 10.743 -9.015 1.00 0.00 H new ATOM 363 N GLU A 24 -10.765 13.639 -10.649 1.00 0.00 N ATOM 364 CA GLU A 24 -9.703 13.091 -11.484 1.00 0.00 C ATOM 365 C GLU A 24 -9.623 11.574 -11.338 1.00 0.00 C ATOM 366 O GLU A 24 -9.356 11.057 -10.253 1.00 0.00 O ATOM 367 CB GLU A 24 -8.358 13.722 -11.115 1.00 0.00 C ATOM 368 CG GLU A 24 -8.143 15.097 -11.723 1.00 0.00 C ATOM 369 CD GLU A 24 -8.873 16.190 -10.967 1.00 0.00 C ATOM 370 OE1 GLU A 24 -10.066 16.419 -11.259 1.00 0.00 O ATOM 371 OE2 GLU A 24 -8.252 16.816 -10.083 1.00 0.00 O ATOM 0 H GLU A 24 -10.508 13.770 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.934 13.326 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.288 13.799 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.555 13.061 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.076 15.321 -11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.481 15.089 -12.759 1.00 0.00 H new ATOM 378 N VAL A 25 -9.857 10.867 -12.439 1.00 0.00 N ATOM 379 CA VAL A 25 -9.811 9.410 -12.435 1.00 0.00 C ATOM 380 C VAL A 25 -9.265 8.873 -13.754 1.00 0.00 C ATOM 381 O VAL A 25 -9.505 9.448 -14.815 1.00 0.00 O ATOM 382 CB VAL A 25 -11.206 8.805 -12.185 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.123 9.073 -13.369 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.098 7.313 -11.911 1.00 0.00 C ATOM 0 H VAL A 25 -10.080 11.280 -13.345 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.145 9.117 -11.623 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.638 9.282 -11.305 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.104 8.639 -13.175 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.225 10.148 -13.514 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.698 8.624 -14.267 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.092 6.902 -11.737 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.646 6.817 -12.770 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.478 7.149 -11.030 1.00 0.00 H new ATOM 394 N GLU A 26 -8.531 7.768 -13.678 1.00 0.00 N ATOM 395 CA GLU A 26 -7.951 7.154 -14.867 1.00 0.00 C ATOM 396 C GLU A 26 -9.039 6.582 -15.770 1.00 0.00 C ATOM 397 O GLU A 26 -10.132 6.234 -15.323 1.00 0.00 O ATOM 398 CB GLU A 26 -6.969 6.050 -14.470 1.00 0.00 C ATOM 399 CG GLU A 26 -6.045 6.438 -13.328 1.00 0.00 C ATOM 400 CD GLU A 26 -4.972 5.399 -13.068 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.184 5.113 -13.994 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.920 4.871 -11.936 1.00 0.00 O ATOM 0 H GLU A 26 -8.324 7.280 -12.807 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.415 7.926 -15.419 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.531 5.161 -14.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.367 5.782 -15.338 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.573 7.393 -13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.634 6.582 -12.422 1.00 0.00 H new ATOM 409 N PRO A 27 -8.735 6.484 -17.073 1.00 0.00 N ATOM 410 CA PRO A 27 -9.674 5.955 -18.067 1.00 0.00 C ATOM 411 C PRO A 27 -9.905 4.456 -17.906 1.00 0.00 C ATOM 412 O PRO A 27 -10.815 3.890 -18.512 1.00 0.00 O ATOM 413 CB PRO A 27 -8.982 6.249 -19.400 1.00 0.00 C ATOM 414 CG PRO A 27 -7.532 6.317 -19.067 1.00 0.00 C ATOM 415 CD PRO A 27 -7.452 6.880 -17.676 1.00 0.00 C ATOM 0 HA PRO A 27 -10.662 6.406 -17.975 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.184 5.467 -20.132 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.334 7.187 -19.830 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.074 5.329 -19.115 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.998 6.950 -19.776 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.606 6.470 -17.125 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.331 7.963 -17.687 1.00 0.00 H new ATOM 423 N SER A 28 -9.075 3.818 -17.087 1.00 0.00 N ATOM 424 CA SER A 28 -9.187 2.384 -16.849 1.00 0.00 C ATOM 425 C SER A 28 -9.703 2.105 -15.441 1.00 0.00 C ATOM 426 O SER A 28 -10.009 0.964 -15.095 1.00 0.00 O ATOM 427 CB SER A 28 -7.831 1.705 -17.051 1.00 0.00 C ATOM 428 OG SER A 28 -7.965 0.294 -17.076 1.00 0.00 O ATOM 0 H SER A 28 -8.317 4.272 -16.577 1.00 0.00 H new ATOM 0 HA SER A 28 -9.900 1.977 -17.566 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.385 2.048 -17.985 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.153 1.995 -16.248 1.00 0.00 H new ATOM 0 HG SER A 28 -8.655 0.020 -16.436 1.00 0.00 H new ATOM 434 N ASP A 29 -9.797 3.156 -14.634 1.00 0.00 N ATOM 435 CA ASP A 29 -10.277 3.026 -13.263 1.00 0.00 C ATOM 436 C ASP A 29 -11.748 2.620 -13.238 1.00 0.00 C ATOM 437 O ASP A 29 -12.473 2.814 -14.214 1.00 0.00 O ATOM 438 CB ASP A 29 -10.085 4.341 -12.506 1.00 0.00 C ATOM 439 CG ASP A 29 -8.894 4.301 -11.569 1.00 0.00 C ATOM 440 OD1 ASP A 29 -8.011 3.442 -11.769 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.846 5.128 -10.634 1.00 0.00 O ATOM 0 H ASP A 29 -9.547 4.107 -14.905 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.695 2.245 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.954 5.153 -13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.986 4.563 -11.934 1.00 0.00 H new ATOM 446 N THR A 30 -12.182 2.055 -12.116 1.00 0.00 N ATOM 447 CA THR A 30 -13.564 1.619 -11.964 1.00 0.00 C ATOM 448 C THR A 30 -14.324 2.527 -11.004 1.00 0.00 C ATOM 449 O THR A 30 -13.740 3.413 -10.378 1.00 0.00 O ATOM 450 CB THR A 30 -13.644 0.169 -11.453 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.737 -0.016 -10.360 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.313 -0.816 -12.564 1.00 0.00 C ATOM 0 H THR A 30 -11.595 1.889 -11.298 1.00 0.00 H new ATOM 0 HA THR A 30 -14.022 1.673 -12.951 1.00 0.00 H new ATOM 0 HB THR A 30 -14.663 -0.018 -11.115 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.182 0.785 -10.256 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.376 -1.834 -12.179 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.022 -0.693 -13.382 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.303 -0.628 -12.928 1.00 0.00 H new ATOM 460 N ILE A 31 -15.629 2.301 -10.891 1.00 0.00 N ATOM 461 CA ILE A 31 -16.467 3.099 -10.005 1.00 0.00 C ATOM 462 C ILE A 31 -15.883 3.154 -8.597 1.00 0.00 C ATOM 463 O ILE A 31 -15.818 4.219 -7.984 1.00 0.00 O ATOM 464 CB ILE A 31 -17.900 2.539 -9.931 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.476 2.366 -11.338 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.785 3.455 -9.100 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.443 3.633 -12.165 1.00 0.00 C ATOM 0 H ILE A 31 -16.128 1.573 -11.402 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.499 4.105 -10.423 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.868 1.562 -9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.917 1.588 -11.858 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.507 2.020 -11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.794 3.045 -9.057 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.382 3.532 -8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.814 4.445 -9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.867 3.436 -13.150 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.026 4.408 -11.667 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.412 3.969 -12.274 1.00 0.00 H new ATOM 479 N GLU A 32 -15.458 2.000 -8.093 1.00 0.00 N ATOM 480 CA GLU A 32 -14.877 1.918 -6.758 1.00 0.00 C ATOM 481 C GLU A 32 -13.748 2.931 -6.593 1.00 0.00 C ATOM 482 O GLU A 32 -13.528 3.459 -5.504 1.00 0.00 O ATOM 483 CB GLU A 32 -14.353 0.506 -6.491 1.00 0.00 C ATOM 484 CG GLU A 32 -13.403 -0.003 -7.563 1.00 0.00 C ATOM 485 CD GLU A 32 -12.630 -1.231 -7.122 1.00 0.00 C ATOM 486 OE1 GLU A 32 -13.244 -2.129 -6.507 1.00 0.00 O ATOM 487 OE2 GLU A 32 -11.413 -1.295 -7.390 1.00 0.00 O ATOM 0 H GLU A 32 -15.505 1.110 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.659 2.150 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.842 0.493 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.198 -0.177 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.970 -0.239 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.701 0.788 -7.827 1.00 0.00 H new ATOM 494 N ASN A 33 -13.035 3.197 -7.683 1.00 0.00 N ATOM 495 CA ASN A 33 -11.927 4.146 -7.659 1.00 0.00 C ATOM 496 C ASN A 33 -12.442 5.582 -7.631 1.00 0.00 C ATOM 497 O ASN A 33 -11.912 6.428 -6.910 1.00 0.00 O ATOM 498 CB ASN A 33 -11.026 3.939 -8.878 1.00 0.00 C ATOM 499 CG ASN A 33 -10.397 2.559 -8.905 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.613 1.785 -9.837 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.615 2.245 -7.878 1.00 0.00 N ATOM 0 H ASN A 33 -13.204 2.769 -8.593 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.348 3.969 -6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.609 4.087 -9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.240 4.694 -8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.165 1.330 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.464 2.919 -7.127 1.00 0.00 H new ATOM 508 N VAL A 34 -13.478 5.849 -8.419 1.00 0.00 N ATOM 509 CA VAL A 34 -14.066 7.182 -8.484 1.00 0.00 C ATOM 510 C VAL A 34 -14.547 7.637 -7.111 1.00 0.00 C ATOM 511 O VAL A 34 -14.189 8.717 -6.641 1.00 0.00 O ATOM 512 CB VAL A 34 -15.247 7.227 -9.471 1.00 0.00 C ATOM 513 CG1 VAL A 34 -15.899 8.601 -9.461 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.784 6.858 -10.872 1.00 0.00 C ATOM 0 H VAL A 34 -13.928 5.160 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.285 7.856 -8.834 1.00 0.00 H new ATOM 0 HB VAL A 34 -15.991 6.496 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.731 8.614 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.267 8.822 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.166 9.354 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.631 6.895 -11.557 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.021 7.564 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.368 5.851 -10.864 1.00 0.00 H new ATOM 524 N LYS A 35 -15.362 6.806 -6.470 1.00 0.00 N ATOM 525 CA LYS A 35 -15.893 7.120 -5.149 1.00 0.00 C ATOM 526 C LYS A 35 -14.765 7.428 -4.169 1.00 0.00 C ATOM 527 O LYS A 35 -14.950 8.180 -3.213 1.00 0.00 O ATOM 528 CB LYS A 35 -16.736 5.956 -4.625 1.00 0.00 C ATOM 529 CG LYS A 35 -15.956 4.661 -4.474 1.00 0.00 C ATOM 530 CD LYS A 35 -16.788 3.585 -3.795 1.00 0.00 C ATOM 531 CE LYS A 35 -15.930 2.406 -3.363 1.00 0.00 C ATOM 532 NZ LYS A 35 -16.679 1.121 -3.431 1.00 0.00 N ATOM 0 H LYS A 35 -15.669 5.909 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.524 8.004 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.159 6.231 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.573 5.790 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.637 4.311 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.053 4.845 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.292 4.008 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.565 3.240 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.048 2.346 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.577 2.567 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.338 0.480 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.694 1.303 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.530 0.681 -4.361 1.00 0.00 H new ATOM 546 N ALA A 36 -13.598 6.841 -4.413 1.00 0.00 N ATOM 547 CA ALA A 36 -12.441 7.055 -3.554 1.00 0.00 C ATOM 548 C ALA A 36 -12.122 8.541 -3.423 1.00 0.00 C ATOM 549 O ALA A 36 -11.850 9.034 -2.328 1.00 0.00 O ATOM 550 CB ALA A 36 -11.235 6.300 -4.094 1.00 0.00 C ATOM 0 H ALA A 36 -13.429 6.213 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.681 6.672 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.378 6.469 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.459 5.234 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.003 6.655 -5.098 1.00 0.00 H new ATOM 556 N LYS A 37 -12.156 9.250 -4.546 1.00 0.00 N ATOM 557 CA LYS A 37 -11.871 10.680 -4.557 1.00 0.00 C ATOM 558 C LYS A 37 -13.053 11.474 -4.010 1.00 0.00 C ATOM 559 O LYS A 37 -12.876 12.547 -3.432 1.00 0.00 O ATOM 560 CB LYS A 37 -11.545 11.144 -5.979 1.00 0.00 C ATOM 561 CG LYS A 37 -10.182 10.687 -6.470 1.00 0.00 C ATOM 562 CD LYS A 37 -9.081 11.631 -6.017 1.00 0.00 C ATOM 563 CE LYS A 37 -7.705 11.109 -6.404 1.00 0.00 C ATOM 564 NZ LYS A 37 -6.655 12.155 -6.259 1.00 0.00 N ATOM 0 H LYS A 37 -12.378 8.857 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.008 10.859 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.311 10.770 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.589 12.232 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.978 9.683 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.187 10.628 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.237 12.614 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.132 11.759 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.453 10.252 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.727 10.757 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.732 11.761 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.882 12.962 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.616 12.473 -5.270 1.00 0.00 H new ATOM 578 N ILE A 38 -14.255 10.940 -4.196 1.00 0.00 N ATOM 579 CA ILE A 38 -15.465 11.599 -3.718 1.00 0.00 C ATOM 580 C ILE A 38 -15.460 11.722 -2.198 1.00 0.00 C ATOM 581 O ILE A 38 -16.027 12.661 -1.640 1.00 0.00 O ATOM 582 CB ILE A 38 -16.730 10.839 -4.157 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.808 10.771 -5.683 1.00 0.00 C ATOM 584 CG2 ILE A 38 -17.973 11.507 -3.587 1.00 0.00 C ATOM 585 CD1 ILE A 38 -16.842 12.130 -6.347 1.00 0.00 C ATOM 0 H ILE A 38 -14.418 10.054 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.478 12.595 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.677 9.822 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.950 10.214 -6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.700 10.213 -5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.859 10.959 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.919 11.508 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.032 12.534 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.897 12.005 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.715 12.683 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.938 12.683 -6.091 1.00 0.00 H new ATOM 597 N GLN A 39 -14.814 10.768 -1.535 1.00 0.00 N ATOM 598 CA GLN A 39 -14.735 10.771 -0.079 1.00 0.00 C ATOM 599 C GLN A 39 -14.176 12.094 0.433 1.00 0.00 C ATOM 600 O GLN A 39 -14.572 12.577 1.494 1.00 0.00 O ATOM 601 CB GLN A 39 -13.862 9.613 0.407 1.00 0.00 C ATOM 602 CG GLN A 39 -14.462 8.243 0.136 1.00 0.00 C ATOM 603 CD GLN A 39 -14.009 7.198 1.137 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.262 6.280 0.799 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.460 7.334 2.379 1.00 0.00 N ATOM 0 H GLN A 39 -14.338 9.984 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.744 10.647 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.887 9.676 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.693 9.721 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.549 8.316 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.186 7.922 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.078 8.111 2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.189 6.662 3.097 1.00 0.00 H new ATOM 614 N ASP A 40 -13.254 12.675 -0.326 1.00 0.00 N ATOM 615 CA ASP A 40 -12.641 13.944 0.050 1.00 0.00 C ATOM 616 C ASP A 40 -13.582 15.109 -0.240 1.00 0.00 C ATOM 617 O ASP A 40 -13.469 16.177 0.363 1.00 0.00 O ATOM 618 CB ASP A 40 -11.321 14.139 -0.698 1.00 0.00 C ATOM 619 CG ASP A 40 -10.478 15.250 -0.104 1.00 0.00 C ATOM 620 OD1 ASP A 40 -9.758 14.986 0.882 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.538 16.383 -0.625 1.00 0.00 O ATOM 0 H ASP A 40 -12.914 12.287 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.442 13.920 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.755 13.208 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.529 14.364 -1.744 1.00 0.00 H new ATOM 626 N LYS A 41 -14.508 14.898 -1.168 1.00 0.00 N ATOM 627 CA LYS A 41 -15.469 15.929 -1.540 1.00 0.00 C ATOM 628 C LYS A 41 -16.617 15.990 -0.537 1.00 0.00 C ATOM 629 O LYS A 41 -16.949 17.059 -0.025 1.00 0.00 O ATOM 630 CB LYS A 41 -16.018 15.663 -2.943 1.00 0.00 C ATOM 631 CG LYS A 41 -14.944 15.316 -3.960 1.00 0.00 C ATOM 632 CD LYS A 41 -14.021 16.494 -4.221 1.00 0.00 C ATOM 633 CE LYS A 41 -12.653 16.035 -4.701 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.707 17.175 -4.852 1.00 0.00 N ATOM 0 H LYS A 41 -14.614 14.021 -1.677 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.953 16.889 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.738 14.846 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.560 16.545 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.361 14.469 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.413 15.006 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.469 17.150 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.910 17.080 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.243 15.314 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.757 15.520 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.786 16.821 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.086 17.851 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.588 17.651 -3.935 1.00 0.00 H new ATOM 648 N GLU A 42 -17.218 14.837 -0.261 1.00 0.00 N ATOM 649 CA GLU A 42 -18.328 14.761 0.681 1.00 0.00 C ATOM 650 C GLU A 42 -18.015 13.787 1.813 1.00 0.00 C ATOM 651 O GLU A 42 -18.409 14.002 2.959 1.00 0.00 O ATOM 652 CB GLU A 42 -19.608 14.329 -0.038 1.00 0.00 C ATOM 653 CG GLU A 42 -20.171 15.391 -0.968 1.00 0.00 C ATOM 654 CD GLU A 42 -20.481 16.690 -0.249 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.617 16.835 0.250 1.00 0.00 O ATOM 656 OE2 GLU A 42 -19.589 17.561 -0.187 1.00 0.00 O ATOM 0 H GLU A 42 -16.955 13.943 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.477 15.753 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.405 13.425 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.363 14.071 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.456 15.584 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.080 15.014 -1.437 1.00 0.00 H new ATOM 663 N GLY A 43 -17.304 12.713 1.483 1.00 0.00 N ATOM 664 CA GLY A 43 -16.950 11.722 2.482 1.00 0.00 C ATOM 665 C GLY A 43 -18.117 10.828 2.850 1.00 0.00 C ATOM 666 O GLY A 43 -18.616 10.880 3.975 1.00 0.00 O ATOM 0 H GLY A 43 -16.967 12.512 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.131 11.109 2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.586 12.227 3.377 1.00 0.00 H new ATOM 670 N ILE A 44 -18.554 10.007 1.901 1.00 0.00 N ATOM 671 CA ILE A 44 -19.671 9.099 2.133 1.00 0.00 C ATOM 672 C ILE A 44 -19.279 7.657 1.826 1.00 0.00 C ATOM 673 O ILE A 44 -18.405 7.387 1.002 1.00 0.00 O ATOM 674 CB ILE A 44 -20.893 9.480 1.277 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.477 9.693 -0.180 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.558 10.731 1.832 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.645 9.919 -1.115 1.00 0.00 C ATOM 0 H ILE A 44 -18.152 9.952 0.965 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.935 9.185 3.187 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.613 8.662 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.806 10.550 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.913 8.824 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.420 10.988 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.885 10.546 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.846 11.556 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.276 10.063 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.306 9.052 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.196 10.805 -0.801 1.00 0.00 H new ATOM 689 N PRO A 45 -19.943 6.707 2.501 1.00 0.00 N ATOM 690 CA PRO A 45 -19.683 5.276 2.316 1.00 0.00 C ATOM 691 C PRO A 45 -20.152 4.774 0.955 1.00 0.00 C ATOM 692 O PRO A 45 -20.879 5.455 0.231 1.00 0.00 O ATOM 693 CB PRO A 45 -20.494 4.621 3.436 1.00 0.00 C ATOM 694 CG PRO A 45 -21.584 5.592 3.733 1.00 0.00 C ATOM 695 CD PRO A 45 -20.998 6.957 3.497 1.00 0.00 C ATOM 0 HA PRO A 45 -18.618 5.047 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.897 3.658 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.877 4.437 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.446 5.420 3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.930 5.488 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.746 7.656 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.592 7.384 4.414 1.00 0.00 H new ATOM 703 N PRO A 46 -19.728 3.553 0.595 1.00 0.00 N ATOM 704 CA PRO A 46 -20.093 2.932 -0.681 1.00 0.00 C ATOM 705 C PRO A 46 -21.567 2.543 -0.736 1.00 0.00 C ATOM 706 O PRO A 46 -22.135 2.375 -1.815 1.00 0.00 O ATOM 707 CB PRO A 46 -19.209 1.684 -0.734 1.00 0.00 C ATOM 708 CG PRO A 46 -18.918 1.364 0.691 1.00 0.00 C ATOM 709 CD PRO A 46 -18.859 2.685 1.408 1.00 0.00 C ATOM 0 HA PRO A 46 -19.947 3.611 -1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.720 0.858 -1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.292 1.872 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.693 0.725 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.975 0.826 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.220 2.602 2.433 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.840 3.070 1.458 1.00 0.00 H new ATOM 717 N ASP A 47 -22.180 2.402 0.434 1.00 0.00 N ATOM 718 CA ASP A 47 -23.589 2.034 0.519 1.00 0.00 C ATOM 719 C ASP A 47 -24.483 3.232 0.215 1.00 0.00 C ATOM 720 O ASP A 47 -25.572 3.081 -0.338 1.00 0.00 O ATOM 721 CB ASP A 47 -23.911 1.482 1.909 1.00 0.00 C ATOM 722 CG ASP A 47 -23.281 0.125 2.153 1.00 0.00 C ATOM 723 OD1 ASP A 47 -23.841 -0.883 1.674 1.00 0.00 O ATOM 724 OD2 ASP A 47 -22.229 0.070 2.824 1.00 0.00 O ATOM 0 H ASP A 47 -21.724 2.537 1.336 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.782 1.261 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.560 2.184 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.992 1.403 2.024 1.00 0.00 H new ATOM 729 N GLN A 48 -24.015 4.421 0.580 1.00 0.00 N ATOM 730 CA GLN A 48 -24.773 5.645 0.347 1.00 0.00 C ATOM 731 C GLN A 48 -24.333 6.319 -0.948 1.00 0.00 C ATOM 732 O GLN A 48 -25.096 7.067 -1.559 1.00 0.00 O ATOM 733 CB GLN A 48 -24.600 6.608 1.522 1.00 0.00 C ATOM 734 CG GLN A 48 -25.902 7.241 1.986 1.00 0.00 C ATOM 735 CD GLN A 48 -25.708 8.183 3.158 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.580 8.519 3.519 1.00 0.00 O ATOM 737 NE2 GLN A 48 -26.810 8.616 3.759 1.00 0.00 N ATOM 0 H GLN A 48 -23.115 4.563 1.038 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.826 5.379 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.148 6.072 2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.904 7.396 1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.352 7.787 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.603 6.456 2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.725 8.312 3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.741 9.253 4.553 1.00 0.00 H new ATOM 746 N GLN A 49 -23.098 6.051 -1.360 1.00 0.00 N ATOM 747 CA GLN A 49 -22.557 6.634 -2.582 1.00 0.00 C ATOM 748 C GLN A 49 -23.021 5.854 -3.808 1.00 0.00 C ATOM 749 O GLN A 49 -22.649 4.696 -3.996 1.00 0.00 O ATOM 750 CB GLN A 49 -21.029 6.659 -2.527 1.00 0.00 C ATOM 751 CG GLN A 49 -20.401 7.643 -3.501 1.00 0.00 C ATOM 752 CD GLN A 49 -20.629 7.255 -4.949 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.996 6.332 -5.464 1.00 0.00 O ATOM 754 NE2 GLN A 49 -21.536 7.960 -5.615 1.00 0.00 N ATOM 0 H GLN A 49 -22.453 5.434 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.927 7.656 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.714 6.912 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.650 5.659 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.814 8.636 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.330 7.705 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -22.037 8.716 -5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.732 7.745 -6.593 1.00 0.00 H new ATOM 763 N ARG A 50 -23.834 6.498 -4.639 1.00 0.00 N ATOM 764 CA ARG A 50 -24.349 5.864 -5.847 1.00 0.00 C ATOM 765 C ARG A 50 -24.078 6.730 -7.074 1.00 0.00 C ATOM 766 O ARG A 50 -24.555 7.862 -7.165 1.00 0.00 O ATOM 767 CB ARG A 50 -25.851 5.607 -5.712 1.00 0.00 C ATOM 768 CG ARG A 50 -26.228 4.838 -4.457 1.00 0.00 C ATOM 769 CD ARG A 50 -25.541 3.482 -4.407 1.00 0.00 C ATOM 770 NE ARG A 50 -26.440 2.429 -3.943 1.00 0.00 N ATOM 771 CZ ARG A 50 -27.429 1.930 -4.677 1.00 0.00 C ATOM 772 NH1 ARG A 50 -27.643 2.385 -5.903 1.00 0.00 N ATOM 773 NH2 ARG A 50 -28.205 0.973 -4.184 1.00 0.00 N ATOM 0 H ARG A 50 -24.150 7.458 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.834 4.912 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.376 6.562 -5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.196 5.052 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.953 5.419 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -27.309 4.701 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.167 3.228 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -24.677 3.538 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 50 -26.301 2.056 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -27.048 3.120 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -28.403 2.000 -6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -28.043 0.620 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -28.964 0.591 -4.748 1.00 0.00 H new ATOM 787 N LEU A 51 -23.310 6.191 -8.014 1.00 0.00 N ATOM 788 CA LEU A 51 -22.975 6.914 -9.236 1.00 0.00 C ATOM 789 C LEU A 51 -23.940 6.557 -10.362 1.00 0.00 C ATOM 790 O LEU A 51 -24.045 5.396 -10.757 1.00 0.00 O ATOM 791 CB LEU A 51 -21.539 6.601 -9.660 1.00 0.00 C ATOM 792 CG LEU A 51 -20.435 7.219 -8.801 1.00 0.00 C ATOM 793 CD1 LEU A 51 -19.065 6.855 -9.351 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.599 8.730 -8.729 1.00 0.00 C ATOM 0 H LEU A 51 -22.907 5.256 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.062 7.981 -9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.409 5.519 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.403 6.938 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 51 -20.517 6.816 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.292 7.303 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -18.949 5.771 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -18.971 7.229 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.805 9.153 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.543 9.150 -9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.567 8.970 -8.288 1.00 0.00 H new ATOM 806 N ILE A 52 -24.639 7.563 -10.876 1.00 0.00 N ATOM 807 CA ILE A 52 -25.592 7.355 -11.959 1.00 0.00 C ATOM 808 C ILE A 52 -25.176 8.119 -13.212 1.00 0.00 C ATOM 809 O ILE A 52 -24.694 9.249 -13.132 1.00 0.00 O ATOM 810 CB ILE A 52 -27.011 7.794 -11.552 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.586 6.834 -10.509 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.916 7.860 -12.774 1.00 0.00 C ATOM 813 CD1 ILE A 52 -26.893 6.915 -9.166 1.00 0.00 C ATOM 0 H ILE A 52 -24.563 8.530 -10.560 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.598 6.286 -12.173 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.955 8.789 -11.111 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -28.646 7.048 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.512 5.814 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.915 8.172 -12.470 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.513 8.579 -13.487 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -27.969 6.877 -13.241 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.353 6.207 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -25.837 6.671 -9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.989 7.925 -8.767 1.00 0.00 H new ATOM 825 N PHE A 53 -25.366 7.494 -14.369 1.00 0.00 N ATOM 826 CA PHE A 53 -25.012 8.115 -15.640 1.00 0.00 C ATOM 827 C PHE A 53 -26.038 7.774 -16.717 1.00 0.00 C ATOM 828 O PHE A 53 -26.412 6.614 -16.888 1.00 0.00 O ATOM 829 CB PHE A 53 -23.620 7.659 -16.084 1.00 0.00 C ATOM 830 CG PHE A 53 -23.234 8.152 -17.449 1.00 0.00 C ATOM 831 CD1 PHE A 53 -23.469 9.467 -17.817 1.00 0.00 C ATOM 832 CD2 PHE A 53 -22.636 7.300 -18.364 1.00 0.00 C ATOM 833 CE1 PHE A 53 -23.116 9.922 -19.073 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.281 7.750 -19.622 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.520 9.064 -19.976 1.00 0.00 C ATOM 0 H PHE A 53 -25.763 6.558 -14.453 1.00 0.00 H new ATOM 0 HA PHE A 53 -25.006 9.196 -15.498 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.884 8.007 -15.359 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -23.584 6.570 -16.076 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -23.933 10.144 -17.115 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -22.445 6.273 -18.091 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -23.306 10.949 -19.349 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -21.818 7.076 -20.327 1.00 0.00 H new ATOM 0 HZ PHE A 53 -22.241 9.419 -20.957 1.00 0.00 H new ATOM 845 N ALA A 54 -26.489 8.794 -17.440 1.00 0.00 N ATOM 846 CA ALA A 54 -27.470 8.603 -18.501 1.00 0.00 C ATOM 847 C ALA A 54 -28.734 7.939 -17.967 1.00 0.00 C ATOM 848 O ALA A 54 -29.404 7.193 -18.680 1.00 0.00 O ATOM 849 CB ALA A 54 -26.873 7.776 -19.630 1.00 0.00 C ATOM 0 H ALA A 54 -26.191 9.761 -17.310 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.743 9.584 -18.890 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.617 7.641 -20.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.004 8.291 -20.038 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.570 6.802 -19.246 1.00 0.00 H new ATOM 855 N GLY A 55 -29.054 8.213 -16.706 1.00 0.00 N ATOM 856 CA GLY A 55 -30.237 7.633 -16.097 1.00 0.00 C ATOM 857 C GLY A 55 -30.016 6.202 -15.649 1.00 0.00 C ATOM 858 O GLY A 55 -30.911 5.574 -15.084 1.00 0.00 O ATOM 0 H GLY A 55 -28.515 8.827 -16.095 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.534 8.237 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.061 7.664 -16.810 1.00 0.00 H new ATOM 862 N LYS A 56 -28.819 5.682 -15.904 1.00 0.00 N ATOM 863 CA LYS A 56 -28.482 4.316 -15.524 1.00 0.00 C ATOM 864 C LYS A 56 -27.427 4.302 -14.422 1.00 0.00 C ATOM 865 O LYS A 56 -26.357 4.891 -14.568 1.00 0.00 O ATOM 866 CB LYS A 56 -27.974 3.537 -16.740 1.00 0.00 C ATOM 867 CG LYS A 56 -28.266 2.048 -16.674 1.00 0.00 C ATOM 868 CD LYS A 56 -27.603 1.298 -17.817 1.00 0.00 C ATOM 869 CE LYS A 56 -28.331 1.530 -19.132 1.00 0.00 C ATOM 870 NZ LYS A 56 -27.995 0.489 -20.143 1.00 0.00 N ATOM 0 H LYS A 56 -28.067 6.187 -16.372 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.385 3.838 -15.145 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.430 3.948 -17.641 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.898 3.684 -16.831 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.913 1.649 -15.723 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.343 1.886 -16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.566 1.620 -17.912 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.586 0.232 -17.592 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.407 1.532 -18.956 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.070 2.514 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -28.511 0.682 -21.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -26.972 0.504 -20.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -28.267 -0.447 -19.781 1.00 0.00 H new ATOM 884 N GLN A 57 -27.737 3.626 -13.321 1.00 0.00 N ATOM 885 CA GLN A 57 -26.815 3.535 -12.195 1.00 0.00 C ATOM 886 C GLN A 57 -25.595 2.695 -12.557 1.00 0.00 C ATOM 887 O GLN A 57 -25.677 1.788 -13.386 1.00 0.00 O ATOM 888 CB GLN A 57 -27.520 2.935 -10.978 1.00 0.00 C ATOM 889 CG GLN A 57 -27.658 1.422 -11.040 1.00 0.00 C ATOM 890 CD GLN A 57 -29.050 0.948 -10.669 1.00 0.00 C ATOM 891 OE1 GLN A 57 -29.664 1.460 -9.733 1.00 0.00 O ATOM 892 NE2 GLN A 57 -29.555 -0.036 -11.404 1.00 0.00 N ATOM 0 H GLN A 57 -28.620 3.133 -13.184 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.479 4.543 -11.950 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.967 3.205 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.511 3.379 -10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -27.418 1.080 -12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -26.932 0.967 -10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.011 -0.431 -12.171 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -30.487 -0.397 -11.202 1.00 0.00 H new ATOM 901 N LEU A 58 -24.465 3.002 -11.930 1.00 0.00 N ATOM 902 CA LEU A 58 -23.226 2.275 -12.186 1.00 0.00 C ATOM 903 C LEU A 58 -22.931 1.289 -11.061 1.00 0.00 C ATOM 904 O LEU A 58 -23.510 1.377 -9.978 1.00 0.00 O ATOM 905 CB LEU A 58 -22.060 3.253 -12.342 1.00 0.00 C ATOM 906 CG LEU A 58 -22.342 4.507 -13.169 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.256 5.549 -12.947 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.454 4.158 -14.646 1.00 0.00 C ATOM 0 H LEU A 58 -24.381 3.749 -11.241 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.348 1.714 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.736 3.563 -11.348 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.225 2.722 -12.798 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.293 4.928 -12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.474 6.435 -13.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.223 5.822 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.291 5.139 -13.246 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.655 5.063 -15.219 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.519 3.713 -14.987 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.268 3.448 -14.791 1.00 0.00 H new ATOM 920 N GLU A 59 -22.026 0.351 -11.324 1.00 0.00 N ATOM 921 CA GLU A 59 -21.653 -0.650 -10.332 1.00 0.00 C ATOM 922 C GLU A 59 -20.211 -1.107 -10.534 1.00 0.00 C ATOM 923 O GLU A 59 -19.699 -1.103 -11.654 1.00 0.00 O ATOM 924 CB GLU A 59 -22.596 -1.853 -10.410 1.00 0.00 C ATOM 925 CG GLU A 59 -23.986 -1.573 -9.865 1.00 0.00 C ATOM 926 CD GLU A 59 -24.746 -2.840 -9.526 1.00 0.00 C ATOM 927 OE1 GLU A 59 -25.296 -3.468 -10.456 1.00 0.00 O ATOM 928 OE2 GLU A 59 -24.791 -3.205 -8.333 1.00 0.00 O ATOM 0 H GLU A 59 -21.538 0.264 -12.215 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.736 -0.194 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.680 -2.172 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -22.158 -2.684 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.904 -0.953 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.552 -1.000 -10.600 1.00 0.00 H new ATOM 935 N ASP A 60 -19.562 -1.498 -9.443 1.00 0.00 N ATOM 936 CA ASP A 60 -18.179 -1.957 -9.499 1.00 0.00 C ATOM 937 C ASP A 60 -18.015 -3.058 -10.542 1.00 0.00 C ATOM 938 O ASP A 60 -18.899 -3.894 -10.722 1.00 0.00 O ATOM 939 CB ASP A 60 -17.732 -2.466 -8.128 1.00 0.00 C ATOM 940 CG ASP A 60 -16.314 -3.001 -8.143 1.00 0.00 C ATOM 941 OD1 ASP A 60 -15.450 -2.373 -8.789 1.00 0.00 O ATOM 942 OD2 ASP A 60 -16.068 -4.049 -7.510 1.00 0.00 O ATOM 0 H ASP A 60 -19.971 -1.506 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.553 -1.112 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.804 -1.656 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.410 -3.252 -7.797 1.00 0.00 H new ATOM 947 N GLY A 61 -16.876 -3.052 -11.228 1.00 0.00 N ATOM 948 CA GLY A 61 -16.617 -4.053 -12.246 1.00 0.00 C ATOM 949 C GLY A 61 -16.035 -3.457 -13.512 1.00 0.00 C ATOM 950 O GLY A 61 -14.903 -3.761 -13.887 1.00 0.00 O ATOM 0 H GLY A 61 -16.128 -2.371 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.928 -4.799 -11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.545 -4.571 -12.486 1.00 0.00 H new ATOM 954 N ARG A 62 -16.813 -2.606 -14.175 1.00 0.00 N ATOM 955 CA ARG A 62 -16.369 -1.968 -15.408 1.00 0.00 C ATOM 956 C ARG A 62 -15.675 -0.641 -15.115 1.00 0.00 C ATOM 957 O ARG A 62 -15.734 -0.131 -13.995 1.00 0.00 O ATOM 958 CB ARG A 62 -17.558 -1.738 -16.344 1.00 0.00 C ATOM 959 CG ARG A 62 -17.842 -2.911 -17.267 1.00 0.00 C ATOM 960 CD ARG A 62 -19.070 -2.658 -18.127 1.00 0.00 C ATOM 961 NE ARG A 62 -19.388 -3.802 -18.977 1.00 0.00 N ATOM 962 CZ ARG A 62 -20.177 -3.729 -20.044 1.00 0.00 C ATOM 963 NH1 ARG A 62 -20.725 -2.572 -20.389 1.00 0.00 N ATOM 964 NH2 ARG A 62 -20.418 -4.814 -20.768 1.00 0.00 N ATOM 0 H ARG A 62 -17.753 -2.343 -13.879 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.654 -2.632 -15.894 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.446 -1.534 -15.746 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.369 -0.850 -16.947 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.978 -3.089 -17.908 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.991 -3.814 -16.675 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.922 -2.435 -17.485 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.902 -1.779 -18.750 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.982 -4.707 -18.739 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.541 -1.735 -19.835 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.330 -2.519 -21.208 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.998 -5.706 -20.506 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -21.024 -4.757 -21.587 1.00 0.00 H new ATOM 978 N THR A 63 -15.016 -0.087 -16.128 1.00 0.00 N ATOM 979 CA THR A 63 -14.308 1.178 -15.978 1.00 0.00 C ATOM 980 C THR A 63 -15.130 2.336 -16.534 1.00 0.00 C ATOM 981 O THR A 63 -16.024 2.137 -17.357 1.00 0.00 O ATOM 982 CB THR A 63 -12.942 1.145 -16.690 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.410 2.471 -16.790 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.070 0.539 -18.079 1.00 0.00 C ATOM 0 H THR A 63 -14.958 -0.495 -17.061 1.00 0.00 H new ATOM 0 HA THR A 63 -14.149 1.327 -14.910 1.00 0.00 H new ATOM 0 HB THR A 63 -12.265 0.525 -16.102 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.268 2.835 -15.891 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.093 0.526 -18.562 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.448 -0.480 -17.998 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.761 1.136 -18.674 1.00 0.00 H new ATOM 992 N LEU A 64 -14.821 3.545 -16.079 1.00 0.00 N ATOM 993 CA LEU A 64 -15.531 4.737 -16.531 1.00 0.00 C ATOM 994 C LEU A 64 -15.542 4.819 -18.054 1.00 0.00 C ATOM 995 O LEU A 64 -16.548 5.192 -18.659 1.00 0.00 O ATOM 996 CB LEU A 64 -14.884 5.993 -15.946 1.00 0.00 C ATOM 997 CG LEU A 64 -14.758 6.036 -14.423 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.848 5.198 -13.773 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.381 5.555 -13.988 1.00 0.00 C ATOM 0 H LEU A 64 -14.084 3.726 -15.398 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.561 4.671 -16.181 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.888 6.098 -16.376 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.463 6.859 -16.267 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.880 7.069 -14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.742 5.241 -12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.825 5.588 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.759 4.164 -14.106 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.309 5.592 -12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.230 4.530 -14.327 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.616 6.198 -14.424 1.00 0.00 H new ATOM 1011 N SER A 65 -14.418 4.466 -18.669 1.00 0.00 N ATOM 1012 CA SER A 65 -14.297 4.501 -20.122 1.00 0.00 C ATOM 1013 C SER A 65 -15.258 3.509 -20.771 1.00 0.00 C ATOM 1014 O SER A 65 -15.796 3.764 -21.848 1.00 0.00 O ATOM 1015 CB SER A 65 -12.861 4.187 -20.543 1.00 0.00 C ATOM 1016 OG SER A 65 -12.726 4.210 -21.954 1.00 0.00 O ATOM 0 H SER A 65 -13.578 4.152 -18.184 1.00 0.00 H new ATOM 0 HA SER A 65 -14.555 5.505 -20.459 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.181 4.913 -20.098 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.573 3.207 -20.163 1.00 0.00 H new ATOM 0 HG SER A 65 -11.798 4.008 -22.197 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.468 2.377 -20.106 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.363 1.346 -20.619 1.00 0.00 C ATOM 1024 C GLU A 66 -17.822 1.758 -20.448 1.00 0.00 C ATOM 1025 O GLU A 66 -18.710 1.234 -21.121 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.109 0.018 -19.903 1.00 0.00 C ATOM 1027 CG GLU A 66 -14.906 -0.741 -20.437 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.212 -1.493 -21.718 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.202 -2.253 -21.737 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.461 -1.321 -22.701 1.00 0.00 O ATOM 0 H GLU A 66 -15.031 2.151 -19.212 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.161 1.222 -21.683 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.964 0.210 -18.840 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.995 -0.610 -19.996 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.090 -0.041 -20.617 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.560 -1.445 -19.680 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.062 2.700 -19.542 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.413 3.181 -19.279 1.00 0.00 C ATOM 1039 C TYR A 67 -19.750 4.372 -20.171 1.00 0.00 C ATOM 1040 O TYR A 67 -20.736 5.072 -19.943 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.561 3.573 -17.808 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.927 2.415 -16.907 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.071 1.663 -17.140 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.129 2.075 -15.821 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.410 0.605 -16.319 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.459 1.018 -14.996 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.601 0.286 -15.248 1.00 0.00 C ATOM 1048 OH TYR A 67 -20.934 -0.767 -14.428 1.00 0.00 O ATOM 0 H TYR A 67 -17.338 3.145 -18.978 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.109 2.373 -19.504 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.625 4.011 -17.461 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.325 4.345 -17.722 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.707 1.910 -17.978 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.236 2.647 -15.619 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.304 0.031 -16.514 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.826 0.766 -14.158 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.434 -0.698 -13.588 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.924 4.594 -21.188 1.00 0.00 N ATOM 1059 CA ASN A 68 -19.133 5.700 -22.115 1.00 0.00 C ATOM 1060 C ASN A 68 -18.982 7.042 -21.404 1.00 0.00 C ATOM 1061 O ASN A 68 -19.519 8.056 -21.851 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.519 5.602 -22.754 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.880 4.180 -23.138 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.801 3.588 -22.576 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -20.152 3.625 -24.101 1.00 0.00 N ATOM 0 H ASN A 68 -18.104 4.023 -21.391 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.375 5.635 -22.896 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.265 5.988 -22.059 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.553 6.235 -23.641 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.347 2.670 -24.402 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.398 4.154 -24.539 1.00 0.00 H new ATOM 1072 N ILE A 69 -18.248 7.039 -20.296 1.00 0.00 N ATOM 1073 CA ILE A 69 -18.026 8.256 -19.525 1.00 0.00 C ATOM 1074 C ILE A 69 -16.769 8.981 -19.993 1.00 0.00 C ATOM 1075 O ILE A 69 -15.651 8.535 -19.733 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.900 7.953 -18.020 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -19.163 7.254 -17.511 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.649 9.235 -17.241 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -19.005 6.651 -16.133 1.00 0.00 C ATOM 0 H ILE A 69 -17.797 6.208 -19.913 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.893 8.896 -19.687 1.00 0.00 H new ATOM 0 HB ILE A 69 -17.051 7.286 -17.869 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.984 7.971 -17.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.442 6.468 -18.213 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.562 9.004 -16.179 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.725 9.697 -17.589 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.480 9.924 -17.396 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.938 6.172 -15.836 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.206 5.910 -16.150 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.756 7.436 -15.419 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.960 10.101 -20.681 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.841 10.889 -21.184 1.00 0.00 C ATOM 1093 C GLN A 70 -15.290 11.808 -20.098 1.00 0.00 C ATOM 1094 O GLN A 70 -15.663 11.698 -18.930 1.00 0.00 O ATOM 1095 CB GLN A 70 -16.275 11.716 -22.396 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.935 10.891 -23.490 1.00 0.00 C ATOM 1097 CD GLN A 70 -18.412 10.660 -23.236 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -19.016 11.313 -22.384 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -19.001 9.728 -23.975 1.00 0.00 N ATOM 0 H GLN A 70 -17.879 10.484 -20.903 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.052 10.200 -21.487 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.968 12.490 -22.068 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.404 12.223 -22.810 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.810 11.397 -24.447 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.429 9.929 -23.570 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.461 9.211 -24.669 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.993 9.528 -23.848 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.401 12.713 -20.491 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.799 13.652 -19.552 1.00 0.00 C ATOM 1110 C LYS A 71 -14.752 14.802 -19.246 1.00 0.00 C ATOM 1111 O LYS A 71 -14.544 15.556 -18.296 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.487 14.200 -20.118 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.653 14.934 -21.437 1.00 0.00 C ATOM 1114 CD LYS A 71 -12.176 14.091 -22.608 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.640 14.958 -23.737 1.00 0.00 C ATOM 1116 NZ LYS A 71 -10.975 14.145 -24.793 1.00 0.00 N ATOM 0 H LYS A 71 -14.081 12.816 -21.454 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.593 13.118 -18.625 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.041 14.877 -19.389 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.788 13.375 -20.256 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.701 15.196 -21.579 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.092 15.868 -21.408 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.397 13.407 -22.272 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.000 13.480 -22.977 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.459 15.527 -24.178 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.930 15.681 -23.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.623 14.772 -25.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.178 13.622 -24.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.659 13.472 -25.195 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.799 14.929 -20.056 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.784 15.988 -19.870 1.00 0.00 C ATOM 1132 C GLU A 72 -18.180 15.403 -19.674 1.00 0.00 C ATOM 1133 O GLU A 72 -19.184 16.087 -19.873 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.780 16.936 -21.071 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.525 17.786 -21.171 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.752 19.074 -21.939 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.883 19.008 -23.179 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.797 20.146 -21.301 1.00 0.00 O ATOM 0 H GLU A 72 -15.987 14.312 -20.846 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.514 16.548 -18.974 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.887 16.352 -21.985 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.649 17.591 -21.009 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.171 18.023 -20.168 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.739 17.210 -21.659 1.00 0.00 H new ATOM 1145 N SER A 73 -18.234 14.134 -19.283 1.00 0.00 N ATOM 1146 CA SER A 73 -19.506 13.455 -19.064 1.00 0.00 C ATOM 1147 C SER A 73 -20.271 14.094 -17.909 1.00 0.00 C ATOM 1148 O SER A 73 -19.861 15.122 -17.369 1.00 0.00 O ATOM 1149 CB SER A 73 -19.274 11.971 -18.778 1.00 0.00 C ATOM 1150 OG SER A 73 -19.281 11.713 -17.385 1.00 0.00 O ATOM 0 H SER A 73 -17.412 13.555 -19.111 1.00 0.00 H new ATOM 0 HA SER A 73 -20.103 13.553 -19.971 1.00 0.00 H new ATOM 0 HB2 SER A 73 -20.049 11.378 -19.265 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.320 11.660 -19.204 1.00 0.00 H new ATOM 0 HG SER A 73 -20.007 11.090 -17.171 1.00 0.00 H new ATOM 1156 N THR A 74 -21.387 13.477 -17.533 1.00 0.00 N ATOM 1157 CA THR A 74 -22.211 13.984 -16.443 1.00 0.00 C ATOM 1158 C THR A 74 -22.600 12.866 -15.482 1.00 0.00 C ATOM 1159 O THR A 74 -23.353 11.959 -15.840 1.00 0.00 O ATOM 1160 CB THR A 74 -23.491 14.658 -16.973 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.288 15.105 -18.319 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.885 15.837 -16.096 1.00 0.00 C ATOM 0 H THR A 74 -21.741 12.625 -17.968 1.00 0.00 H new ATOM 0 HA THR A 74 -21.612 14.724 -15.912 1.00 0.00 H new ATOM 0 HB THR A 74 -24.297 13.924 -16.952 1.00 0.00 H new ATOM 0 HG1 THR A 74 -24.107 15.531 -18.649 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.791 16.297 -16.490 1.00 0.00 H new ATOM 0 HG22 THR A 74 -24.067 15.489 -15.079 1.00 0.00 H new ATOM 0 HG23 THR A 74 -23.079 16.571 -16.090 1.00 0.00 H new ATOM 1170 N LEU A 75 -22.084 12.937 -14.261 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.378 11.930 -13.246 1.00 0.00 C ATOM 1172 C LEU A 75 -23.387 12.459 -12.231 1.00 0.00 C ATOM 1173 O LEU A 75 -23.410 13.651 -11.926 1.00 0.00 O ATOM 1174 CB LEU A 75 -21.093 11.507 -12.532 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.408 10.251 -13.072 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.345 9.056 -12.993 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.942 10.471 -14.504 1.00 0.00 C ATOM 0 H LEU A 75 -21.460 13.681 -13.949 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.812 11.063 -13.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.384 12.333 -12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.322 11.347 -11.478 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.534 10.043 -12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.840 8.172 -13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.629 8.885 -11.955 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.238 9.254 -13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.457 9.567 -14.872 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.800 10.704 -15.134 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.235 11.300 -14.533 1.00 0.00 H new ATOM 1189 N HIS A 76 -24.218 11.562 -11.710 1.00 0.00 N ATOM 1190 CA HIS A 76 -25.228 11.938 -10.726 1.00 0.00 C ATOM 1191 C HIS A 76 -25.055 11.138 -9.438 1.00 0.00 C ATOM 1192 O HIS A 76 -25.184 9.913 -9.433 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.630 11.716 -11.294 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.975 12.644 -12.418 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.963 14.017 -12.291 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.343 12.389 -13.695 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.309 14.566 -13.441 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.545 13.600 -14.310 1.00 0.00 N ATOM 0 H HIS A 76 -24.212 10.571 -11.952 1.00 0.00 H new ATOM 0 HA HIS A 76 -25.101 12.996 -10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.712 10.687 -11.645 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.361 11.839 -10.495 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.457 11.414 -14.146 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.386 15.625 -13.638 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.831 13.732 -15.280 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.763 11.839 -8.348 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.571 11.195 -7.053 1.00 0.00 C ATOM 1208 C LEU A 77 -25.831 11.302 -6.200 1.00 0.00 C ATOM 1209 O LEU A 77 -26.239 12.397 -5.812 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.388 11.825 -6.317 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.460 13.338 -6.102 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.877 13.654 -4.675 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.122 13.987 -6.426 1.00 0.00 C ATOM 0 H LEU A 77 -24.654 12.853 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.361 10.140 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.294 11.344 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.478 11.600 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.212 13.747 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.923 14.735 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.858 13.222 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -23.149 13.232 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.192 15.063 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.350 13.574 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.864 13.790 -7.467 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.443 10.159 -5.910 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.655 10.124 -5.100 1.00 0.00 C ATOM 1227 C VAL A 78 -27.506 9.158 -3.930 1.00 0.00 C ATOM 1228 O VAL A 78 -26.921 8.083 -4.068 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.879 9.712 -5.938 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.347 10.871 -6.805 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.555 8.495 -6.791 1.00 0.00 C ATOM 0 H VAL A 78 -26.119 9.244 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.809 11.133 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.690 9.446 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -30.213 10.561 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.621 11.713 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.543 11.170 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -29.431 8.218 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.729 8.731 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -28.272 7.663 -6.146 1.00 0.00 H new ATOM 1241 N LEU A 79 -28.039 9.547 -2.777 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.966 8.715 -1.581 1.00 0.00 C ATOM 1243 C LEU A 79 -29.306 8.041 -1.304 1.00 0.00 C ATOM 1244 O LEU A 79 -30.356 8.680 -1.356 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.548 9.558 -0.374 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.071 9.947 -0.307 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.743 10.982 -1.373 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.721 10.475 1.077 1.00 0.00 C ATOM 0 H LEU A 79 -28.526 10.433 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.219 7.940 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.144 10.471 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.800 9.008 0.533 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.471 9.057 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.688 11.247 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.955 10.569 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.351 11.873 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.666 10.747 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -26.328 11.353 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.918 9.703 1.821 1.00 0.00 H new